USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 709 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 62 ASN : amide:sc= -3.14! C(o=-3.1!,f=-6.9!) USER MOD Set 1.2: A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 20 LYS NZ :NH3+ -143:sc= 1.03 (180deg=-0.731) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -0.499 X(o=-0.5,f=-0.4) USER MOD Single : A 40 SER OG : rot -113:sc= 0.382 USER MOD Single : A 44 SER OG : rot 110:sc= 1.2 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.79 K(o=0.79,f=-0.34) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 56 ASN : amide:sc= 0.459 K(o=0.46,f=-6.6!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0.0813 K(o=0.081,f=-4.2!) USER MOD Single : A 74 THR OG1 : rot 101:sc= 0.362 USER MOD Single : A 77 HIS : no HD1:sc= -3.24 K(o=-3.2,f=-4.6!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0311) USER MOD Single : A 93 TYR OH : rot 130:sc= 0.0159 USER MOD Single : A 94 TYR OH : rot 180:sc= -0.708 USER MOD Single : A 98 TYR OH : rot 5:sc= -0.129 USER MOD ----------------------------------------------------------------- ATOM 144 N THR A 11 12.606 -6.197 2.099 1.00 0.00 N ATOM 145 CA THR A 11 12.338 -7.530 1.574 1.00 0.00 C ATOM 146 C THR A 11 11.063 -8.088 2.225 1.00 0.00 C ATOM 147 O THR A 11 10.410 -7.461 3.041 1.00 0.00 O ATOM 148 CB THR A 11 13.552 -8.453 1.805 1.00 0.00 C ATOM 149 OG1 THR A 11 13.875 -8.534 3.177 1.00 0.00 O ATOM 150 CG2 THR A 11 14.768 -8.003 0.990 1.00 0.00 C ATOM 0 HA THR A 11 12.175 -7.476 0.498 1.00 0.00 H new ATOM 0 HB THR A 11 13.271 -9.448 1.460 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.647 -9.126 3.297 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.603 -8.678 1.179 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.521 -8.020 -0.072 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.047 -6.990 1.281 1.00 0.00 H new ATOM 158 N ALA A 12 10.659 -9.294 1.868 1.00 0.00 N ATOM 159 CA ALA A 12 9.411 -9.894 2.354 1.00 0.00 C ATOM 160 C ALA A 12 9.504 -10.227 3.837 1.00 0.00 C ATOM 161 O ALA A 12 8.564 -9.952 4.581 1.00 0.00 O ATOM 162 CB ALA A 12 9.054 -11.103 1.501 1.00 0.00 C ATOM 0 H ALA A 12 11.183 -9.894 1.231 1.00 0.00 H new ATOM 0 HA ALA A 12 8.601 -9.171 2.256 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.127 -11.545 1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.924 -10.791 0.465 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.855 -11.840 1.561 1.00 0.00 H new ATOM 168 N ALA A 13 10.658 -10.729 4.278 1.00 0.00 N ATOM 169 CA ALA A 13 10.903 -10.892 5.704 1.00 0.00 C ATOM 170 C ALA A 13 10.907 -9.521 6.387 1.00 0.00 C ATOM 171 O ALA A 13 10.415 -9.379 7.504 1.00 0.00 O ATOM 172 CB ALA A 13 12.233 -11.619 5.921 1.00 0.00 C ATOM 0 H ALA A 13 11.426 -11.025 3.675 1.00 0.00 H new ATOM 0 HA ALA A 13 10.109 -11.493 6.147 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.412 -11.739 6.989 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.193 -12.600 5.448 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.042 -11.036 5.481 1.00 0.00 H new ATOM 178 N GLU A 14 11.424 -8.497 5.705 1.00 0.00 N ATOM 179 CA GLU A 14 11.490 -7.153 6.236 1.00 0.00 C ATOM 180 C GLU A 14 10.081 -6.596 6.370 1.00 0.00 C ATOM 181 O GLU A 14 9.813 -5.889 7.329 1.00 0.00 O ATOM 182 CB GLU A 14 12.298 -6.270 5.281 1.00 0.00 C ATOM 183 CG GLU A 14 12.698 -4.915 5.876 1.00 0.00 C ATOM 184 CD GLU A 14 13.915 -5.021 6.781 1.00 0.00 C ATOM 185 OE1 GLU A 14 13.775 -5.533 7.917 1.00 0.00 O ATOM 186 OE2 GLU A 14 15.000 -4.567 6.350 1.00 0.00 O ATOM 0 H GLU A 14 11.808 -8.588 4.764 1.00 0.00 H new ATOM 0 HA GLU A 14 11.971 -7.168 7.214 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.200 -6.805 4.982 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.714 -6.100 4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.908 -4.214 5.069 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.861 -4.508 6.443 1.00 0.00 H new ATOM 193 N ILE A 15 9.196 -6.903 5.425 1.00 0.00 N ATOM 194 CA ILE A 15 7.850 -6.383 5.325 1.00 0.00 C ATOM 195 C ILE A 15 7.002 -7.028 6.405 1.00 0.00 C ATOM 196 O ILE A 15 6.376 -6.312 7.180 1.00 0.00 O ATOM 197 CB ILE A 15 7.341 -6.550 3.864 1.00 0.00 C ATOM 198 CG1 ILE A 15 8.017 -5.448 3.032 1.00 0.00 C ATOM 199 CG2 ILE A 15 5.806 -6.484 3.719 1.00 0.00 C ATOM 200 CD1 ILE A 15 7.897 -5.709 1.524 1.00 0.00 C ATOM 0 H ILE A 15 9.418 -7.556 4.673 1.00 0.00 H new ATOM 0 HA ILE A 15 7.797 -5.311 5.515 1.00 0.00 H new ATOM 0 HB ILE A 15 7.603 -7.548 3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.565 -4.485 3.270 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.070 -5.382 3.306 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.534 -6.609 2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.350 -7.279 4.310 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.448 -5.518 4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.388 -4.906 0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.373 -6.659 1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.844 -5.748 1.244 1.00 0.00 H new ATOM 212 N GLU A 16 7.012 -8.351 6.525 1.00 0.00 N ATOM 213 CA GLU A 16 6.247 -8.982 7.596 1.00 0.00 C ATOM 214 C GLU A 16 6.750 -8.534 8.973 1.00 0.00 C ATOM 215 O GLU A 16 5.940 -8.167 9.826 1.00 0.00 O ATOM 216 CB GLU A 16 6.326 -10.496 7.482 1.00 0.00 C ATOM 217 CG GLU A 16 5.510 -11.043 6.301 1.00 0.00 C ATOM 218 CD GLU A 16 4.071 -11.394 6.687 1.00 0.00 C ATOM 219 OE1 GLU A 16 3.848 -12.505 7.228 1.00 0.00 O ATOM 220 OE2 GLU A 16 3.136 -10.607 6.448 1.00 0.00 O ATOM 0 H GLU A 16 7.523 -8.990 5.916 1.00 0.00 H new ATOM 0 HA GLU A 16 5.208 -8.670 7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.368 -10.794 7.368 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.965 -10.946 8.407 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.497 -10.303 5.501 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.002 -11.931 5.905 1.00 0.00 H new ATOM 227 N GLN A 17 8.066 -8.526 9.219 1.00 0.00 N ATOM 228 CA GLN A 17 8.581 -8.133 10.526 1.00 0.00 C ATOM 229 C GLN A 17 8.398 -6.625 10.713 1.00 0.00 C ATOM 230 O GLN A 17 8.259 -6.145 11.839 1.00 0.00 O ATOM 231 CB GLN A 17 10.068 -8.481 10.652 1.00 0.00 C ATOM 232 CG GLN A 17 10.430 -9.970 10.486 1.00 0.00 C ATOM 233 CD GLN A 17 10.325 -10.764 11.781 1.00 0.00 C ATOM 234 OE1 GLN A 17 11.031 -10.497 12.747 1.00 0.00 O ATOM 235 NE2 GLN A 17 9.434 -11.741 11.859 1.00 0.00 N ATOM 0 H GLN A 17 8.780 -8.784 8.538 1.00 0.00 H new ATOM 0 HA GLN A 17 8.029 -8.675 11.293 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.619 -7.908 9.906 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.417 -8.150 11.630 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.772 -10.416 9.740 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.447 -10.049 10.101 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.847 -11.962 11.054 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.334 -12.273 12.724 1.00 0.00 H new ATOM 244 N GLY A 18 8.385 -5.884 9.610 1.00 0.00 N ATOM 245 CA GLY A 18 8.345 -4.444 9.550 1.00 0.00 C ATOM 246 C GLY A 18 6.962 -3.954 9.917 1.00 0.00 C ATOM 247 O GLY A 18 6.803 -2.988 10.669 1.00 0.00 O ATOM 0 H GLY A 18 8.403 -6.308 8.682 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.083 -4.022 10.232 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.607 -4.105 8.548 1.00 0.00 H new ATOM 251 N PHE A 19 5.947 -4.655 9.415 1.00 0.00 N ATOM 252 CA PHE A 19 4.580 -4.164 9.383 1.00 0.00 C ATOM 253 C PHE A 19 3.664 -5.028 10.240 1.00 0.00 C ATOM 254 O PHE A 19 2.453 -4.824 10.258 1.00 0.00 O ATOM 255 CB PHE A 19 4.196 -3.923 7.918 1.00 0.00 C ATOM 256 CG PHE A 19 5.172 -2.939 7.277 1.00 0.00 C ATOM 257 CD1 PHE A 19 5.412 -1.689 7.880 1.00 0.00 C ATOM 258 CD2 PHE A 19 5.983 -3.337 6.201 1.00 0.00 C ATOM 259 CE1 PHE A 19 6.430 -0.847 7.409 1.00 0.00 C ATOM 260 CE2 PHE A 19 7.020 -2.506 5.739 1.00 0.00 C ATOM 261 CZ PHE A 19 7.233 -1.253 6.335 1.00 0.00 C ATOM 0 H PHE A 19 6.056 -5.588 9.017 1.00 0.00 H new ATOM 0 HA PHE A 19 4.464 -3.193 9.864 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.206 -4.866 7.371 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.181 -3.531 7.859 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.804 -1.375 8.716 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.809 -4.290 5.724 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.595 0.114 7.874 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.652 -2.832 4.926 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.014 -0.604 5.967 1.00 0.00 H new ATOM 271 N LYS A 20 4.274 -5.884 11.069 1.00 0.00 N ATOM 272 CA LYS A 20 3.698 -6.583 12.215 1.00 0.00 C ATOM 273 C LYS A 20 2.857 -5.668 13.114 1.00 0.00 C ATOM 274 O LYS A 20 1.945 -6.112 13.808 1.00 0.00 O ATOM 275 CB LYS A 20 4.869 -7.292 12.954 1.00 0.00 C ATOM 276 CG LYS A 20 4.670 -7.352 14.478 1.00 0.00 C ATOM 277 CD LYS A 20 5.753 -8.068 15.290 1.00 0.00 C ATOM 278 CE LYS A 20 7.094 -7.324 15.364 1.00 0.00 C ATOM 279 NZ LYS A 20 7.940 -7.559 14.180 1.00 0.00 N ATOM 0 H LYS A 20 5.258 -6.121 10.943 1.00 0.00 H new ATOM 0 HA LYS A 20 2.977 -7.329 11.882 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.975 -8.305 12.567 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.800 -6.768 12.735 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.587 -6.331 14.850 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.717 -7.842 14.677 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.384 -8.226 16.303 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.923 -9.053 14.855 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.907 -6.255 15.466 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.631 -7.640 16.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.937 -7.617 14.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.660 -8.451 13.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.821 -6.775 13.507 1.00 0.00 H new ATOM 293 N ASP A 21 3.171 -4.387 13.081 1.00 0.00 N ATOM 294 CA ASP A 21 2.629 -3.313 13.906 1.00 0.00 C ATOM 295 C ASP A 21 1.245 -2.874 13.415 1.00 0.00 C ATOM 296 O ASP A 21 0.543 -2.130 14.111 1.00 0.00 O ATOM 297 CB ASP A 21 3.579 -2.101 13.837 1.00 0.00 C ATOM 298 CG ASP A 21 4.530 -2.023 15.027 1.00 0.00 C ATOM 299 OD1 ASP A 21 4.053 -1.796 16.161 1.00 0.00 O ATOM 300 OD2 ASP A 21 5.764 -2.150 14.834 1.00 0.00 O ATOM 0 H ASP A 21 3.869 -4.037 12.424 1.00 0.00 H new ATOM 0 HA ASP A 21 2.536 -3.682 14.927 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.161 -2.154 12.917 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.989 -1.186 13.789 1.00 0.00 H new ATOM 305 N VAL A 22 0.836 -3.307 12.226 1.00 0.00 N ATOM 306 CA VAL A 22 -0.381 -2.933 11.524 1.00 0.00 C ATOM 307 C VAL A 22 -1.011 -4.254 11.018 1.00 0.00 C ATOM 308 O VAL A 22 -0.377 -5.310 11.141 1.00 0.00 O ATOM 309 CB VAL A 22 -0.030 -1.904 10.409 1.00 0.00 C ATOM 310 CG1 VAL A 22 -0.943 -0.668 10.461 1.00 0.00 C ATOM 311 CG2 VAL A 22 1.424 -1.358 10.431 1.00 0.00 C ATOM 0 H VAL A 22 1.389 -3.977 11.692 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.116 -2.429 12.152 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.169 -2.492 9.502 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.664 0.024 9.666 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.980 -0.976 10.327 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.833 -0.175 11.427 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.559 -0.650 9.613 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.610 -0.855 11.380 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.125 -2.185 10.315 1.00 0.00 H new ATOM 321 N PRO A 23 -2.251 -4.279 10.501 1.00 0.00 N ATOM 322 CA PRO A 23 -2.841 -5.519 10.026 1.00 0.00 C ATOM 323 C PRO A 23 -2.240 -5.883 8.670 1.00 0.00 C ATOM 324 O PRO A 23 -1.490 -5.108 8.063 1.00 0.00 O ATOM 325 CB PRO A 23 -4.333 -5.222 9.911 1.00 0.00 C ATOM 326 CG PRO A 23 -4.333 -3.778 9.450 1.00 0.00 C ATOM 327 CD PRO A 23 -3.139 -3.172 10.186 1.00 0.00 C ATOM 0 HA PRO A 23 -2.655 -6.363 10.690 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.826 -5.879 9.194 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.848 -5.346 10.864 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.220 -3.701 8.369 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.264 -3.273 9.710 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.634 -2.432 9.565 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.460 -2.660 11.093 1.00 0.00 H new ATOM 335 N SER A 24 -2.646 -7.035 8.157 1.00 0.00 N ATOM 336 CA SER A 24 -2.453 -7.393 6.764 1.00 0.00 C ATOM 337 C SER A 24 -3.781 -7.866 6.177 1.00 0.00 C ATOM 338 O SER A 24 -4.738 -8.137 6.917 1.00 0.00 O ATOM 339 CB SER A 24 -1.323 -8.420 6.617 1.00 0.00 C ATOM 340 OG SER A 24 -1.641 -9.666 7.194 1.00 0.00 O ATOM 0 H SER A 24 -3.123 -7.753 8.703 1.00 0.00 H new ATOM 0 HA SER A 24 -2.136 -6.521 6.193 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.101 -8.560 5.559 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.419 -8.028 7.083 1.00 0.00 H new ATOM 0 HG SER A 24 -0.890 -10.284 7.072 1.00 0.00 H new ATOM 346 N PHE A 25 -3.863 -7.958 4.852 1.00 0.00 N ATOM 347 CA PHE A 25 -4.988 -8.517 4.131 1.00 0.00 C ATOM 348 C PHE A 25 -4.442 -9.462 3.076 1.00 0.00 C ATOM 349 O PHE A 25 -3.296 -9.316 2.649 1.00 0.00 O ATOM 350 CB PHE A 25 -5.743 -7.357 3.499 1.00 0.00 C ATOM 351 CG PHE A 25 -6.785 -7.749 2.473 1.00 0.00 C ATOM 352 CD1 PHE A 25 -8.068 -8.160 2.876 1.00 0.00 C ATOM 353 CD2 PHE A 25 -6.452 -7.716 1.105 1.00 0.00 C ATOM 354 CE1 PHE A 25 -9.010 -8.542 1.908 1.00 0.00 C ATOM 355 CE2 PHE A 25 -7.397 -8.090 0.140 1.00 0.00 C ATOM 356 CZ PHE A 25 -8.672 -8.517 0.543 1.00 0.00 C ATOM 0 H PHE A 25 -3.119 -7.632 4.236 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.665 -9.073 4.779 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.231 -6.788 4.290 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -5.022 -6.690 3.025 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.327 -8.182 3.924 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.465 -7.401 0.799 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.997 -8.856 2.212 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.145 -8.050 -0.909 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.395 -8.827 -0.197 1.00 0.00 H new ATOM 366 N VAL A 26 -5.279 -10.382 2.615 1.00 0.00 N ATOM 367 CA VAL A 26 -4.949 -11.396 1.648 1.00 0.00 C ATOM 368 C VAL A 26 -6.081 -11.431 0.633 1.00 0.00 C ATOM 369 O VAL A 26 -7.244 -11.356 1.034 1.00 0.00 O ATOM 370 CB VAL A 26 -4.746 -12.733 2.392 1.00 0.00 C ATOM 371 CG1 VAL A 26 -6.036 -13.378 2.911 1.00 0.00 C ATOM 372 CG2 VAL A 26 -4.024 -13.761 1.523 1.00 0.00 C ATOM 0 H VAL A 26 -6.249 -10.436 2.926 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.022 -11.192 1.112 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.140 -12.457 3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.797 -14.312 3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.526 -12.700 3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.703 -13.581 2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.900 -14.688 2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.611 -13.955 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.045 -13.375 1.240 1.00 0.00 H new ATOM 382 N HIS A 27 -5.773 -11.530 -0.658 1.00 0.00 N ATOM 383 CA HIS A 27 -6.761 -11.924 -1.648 1.00 0.00 C ATOM 384 C HIS A 27 -6.306 -13.170 -2.409 1.00 0.00 C ATOM 385 O HIS A 27 -5.202 -13.681 -2.250 1.00 0.00 O ATOM 386 CB HIS A 27 -7.187 -10.742 -2.520 1.00 0.00 C ATOM 387 CG HIS A 27 -6.101 -9.928 -3.170 1.00 0.00 C ATOM 388 ND1 HIS A 27 -6.318 -8.721 -3.784 1.00 0.00 N ATOM 389 CD2 HIS A 27 -4.763 -10.207 -3.256 1.00 0.00 C ATOM 390 CE1 HIS A 27 -5.133 -8.280 -4.223 1.00 0.00 C ATOM 391 NE2 HIS A 27 -4.150 -9.140 -3.915 1.00 0.00 N ATOM 0 H HIS A 27 -4.846 -11.342 -1.039 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.678 -12.225 -1.141 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.838 -11.123 -3.307 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.788 -10.071 -1.906 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -7.216 -8.247 -3.887 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.271 -11.093 -2.882 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.987 -7.352 -4.756 1.00 0.00 H new ATOM 399 N GLU A 28 -7.201 -13.679 -3.230 1.00 0.00 N ATOM 400 CA GLU A 28 -7.208 -15.010 -3.836 1.00 0.00 C ATOM 401 C GLU A 28 -6.273 -15.136 -5.055 1.00 0.00 C ATOM 402 O GLU A 28 -6.622 -15.797 -6.037 1.00 0.00 O ATOM 403 CB GLU A 28 -8.676 -15.332 -4.179 1.00 0.00 C ATOM 404 CG GLU A 28 -9.565 -15.422 -2.929 1.00 0.00 C ATOM 405 CD GLU A 28 -11.050 -15.440 -3.282 1.00 0.00 C ATOM 406 OE1 GLU A 28 -11.481 -16.274 -4.115 1.00 0.00 O ATOM 407 OE2 GLU A 28 -11.796 -14.617 -2.700 1.00 0.00 O ATOM 0 H GLU A 28 -8.013 -13.133 -3.519 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.807 -15.739 -3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.067 -14.563 -4.845 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.720 -16.276 -4.722 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.314 -16.324 -2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.358 -14.574 -2.276 1.00 0.00 H new ATOM 414 N GLY A 29 -5.101 -14.491 -5.037 1.00 0.00 N ATOM 415 CA GLY A 29 -4.305 -14.296 -6.247 1.00 0.00 C ATOM 416 C GLY A 29 -5.091 -13.483 -7.283 1.00 0.00 C ATOM 417 O GLY A 29 -6.132 -12.903 -6.957 1.00 0.00 O ATOM 0 H GLY A 29 -4.685 -14.096 -4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.377 -13.780 -6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.030 -15.263 -6.668 1.00 0.00 H new ATOM 421 N GLY A 30 -4.606 -13.430 -8.528 1.00 0.00 N ATOM 422 CA GLY A 30 -5.189 -12.643 -9.597 1.00 0.00 C ATOM 423 C GLY A 30 -4.829 -11.183 -9.390 1.00 0.00 C ATOM 424 O GLY A 30 -4.646 -10.735 -8.263 1.00 0.00 O ATOM 0 H GLY A 30 -3.777 -13.949 -8.818 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.820 -12.988 -10.563 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.272 -12.766 -9.607 1.00 0.00 H new ATOM 428 N ASP A 31 -4.620 -10.446 -10.472 1.00 0.00 N ATOM 429 CA ASP A 31 -4.312 -9.014 -10.386 1.00 0.00 C ATOM 430 C ASP A 31 -5.524 -8.182 -10.017 1.00 0.00 C ATOM 431 O ASP A 31 -6.654 -8.590 -10.312 1.00 0.00 O ATOM 432 CB ASP A 31 -3.664 -8.447 -11.637 1.00 0.00 C ATOM 433 CG ASP A 31 -4.644 -8.311 -12.801 1.00 0.00 C ATOM 434 OD1 ASP A 31 -4.941 -9.328 -13.472 1.00 0.00 O ATOM 435 OD2 ASP A 31 -5.108 -7.181 -13.086 1.00 0.00 O ATOM 0 H ASP A 31 -4.657 -10.811 -11.424 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.579 -8.946 -9.582 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.239 -7.469 -11.409 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.838 -9.092 -11.937 1.00 0.00 H new ATOM 440 N VAL A 32 -5.311 -7.028 -9.364 1.00 0.00 N ATOM 441 CA VAL A 32 -6.403 -6.350 -8.667 1.00 0.00 C ATOM 442 C VAL A 32 -6.050 -4.883 -8.482 1.00 0.00 C ATOM 443 O VAL A 32 -4.950 -4.617 -8.015 1.00 0.00 O ATOM 444 CB VAL A 32 -6.684 -7.021 -7.307 1.00 0.00 C ATOM 445 CG1 VAL A 32 -7.635 -6.236 -6.384 1.00 0.00 C ATOM 446 CG2 VAL A 32 -7.259 -8.446 -7.370 1.00 0.00 C ATOM 0 H VAL A 32 -4.408 -6.556 -9.307 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.310 -6.425 -9.267 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.672 -7.044 -6.902 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.773 -6.785 -5.452 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.207 -5.257 -6.169 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.599 -6.110 -6.877 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.417 -8.820 -6.358 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.209 -8.432 -7.904 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.559 -9.098 -7.892 1.00 0.00 H new ATOM 456 N PRO A 33 -6.959 -3.941 -8.782 1.00 0.00 N ATOM 457 CA PRO A 33 -6.739 -2.519 -8.587 1.00 0.00 C ATOM 458 C PRO A 33 -6.365 -2.190 -7.147 1.00 0.00 C ATOM 459 O PRO A 33 -7.009 -2.671 -6.204 1.00 0.00 O ATOM 460 CB PRO A 33 -8.055 -1.830 -8.970 1.00 0.00 C ATOM 461 CG PRO A 33 -8.787 -2.858 -9.823 1.00 0.00 C ATOM 462 CD PRO A 33 -8.307 -4.184 -9.252 1.00 0.00 C ATOM 0 HA PRO A 33 -5.905 -2.176 -9.199 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.635 -1.562 -8.087 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.875 -0.909 -9.525 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.869 -2.752 -9.742 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.535 -2.759 -10.879 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.952 -4.517 -8.438 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.322 -4.966 -10.011 1.00 0.00 H new ATOM 470 N LEU A 34 -5.432 -1.245 -6.984 1.00 0.00 N ATOM 471 CA LEU A 34 -5.202 -0.605 -5.696 1.00 0.00 C ATOM 472 C LEU A 34 -6.521 -0.138 -5.045 1.00 0.00 C ATOM 473 O LEU A 34 -6.708 -0.352 -3.850 1.00 0.00 O ATOM 474 CB LEU A 34 -3.998 0.346 -5.736 1.00 0.00 C ATOM 475 CG LEU A 34 -4.151 1.741 -6.340 1.00 0.00 C ATOM 476 CD1 LEU A 34 -2.768 2.355 -6.522 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.908 1.784 -7.671 1.00 0.00 C ATOM 0 H LEU A 34 -4.826 -0.910 -7.733 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.858 -1.332 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.649 0.472 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.203 -0.160 -6.283 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.759 2.312 -5.638 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.866 3.351 -6.953 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.271 2.425 -5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.176 1.728 -7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.967 2.814 -8.023 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.382 1.178 -8.409 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.915 1.391 -7.530 1.00 0.00 H new ATOM 489 N VAL A 35 -7.500 0.343 -5.828 1.00 0.00 N ATOM 490 CA VAL A 35 -8.813 0.817 -5.360 1.00 0.00 C ATOM 491 C VAL A 35 -9.750 -0.283 -4.879 1.00 0.00 C ATOM 492 O VAL A 35 -10.677 0.010 -4.129 1.00 0.00 O ATOM 493 CB VAL A 35 -9.413 1.817 -6.375 1.00 0.00 C ATOM 494 CG1 VAL A 35 -9.674 1.209 -7.759 1.00 0.00 C ATOM 495 CG2 VAL A 35 -10.671 2.525 -5.852 1.00 0.00 C ATOM 0 H VAL A 35 -7.396 0.415 -6.840 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.657 1.374 -4.436 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.635 2.570 -6.498 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.095 1.969 -8.417 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.737 0.844 -8.179 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.377 0.381 -7.666 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.043 3.213 -6.611 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.438 1.784 -5.626 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.426 3.081 -4.947 1.00 0.00 H new ATOM 505 N GLU A 36 -9.472 -1.543 -5.194 1.00 0.00 N ATOM 506 CA GLU A 36 -10.236 -2.648 -4.651 1.00 0.00 C ATOM 507 C GLU A 36 -9.487 -3.244 -3.471 1.00 0.00 C ATOM 508 O GLU A 36 -10.093 -3.478 -2.429 1.00 0.00 O ATOM 509 CB GLU A 36 -10.502 -3.684 -5.751 1.00 0.00 C ATOM 510 CG GLU A 36 -11.391 -3.119 -6.870 1.00 0.00 C ATOM 511 CD GLU A 36 -12.724 -2.590 -6.334 1.00 0.00 C ATOM 512 OE1 GLU A 36 -13.451 -3.354 -5.660 1.00 0.00 O ATOM 513 OE2 GLU A 36 -13.070 -1.405 -6.559 1.00 0.00 O ATOM 0 H GLU A 36 -8.720 -1.820 -5.825 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.204 -2.300 -4.291 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.554 -4.016 -6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.981 -4.561 -5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.862 -2.315 -7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.581 -3.897 -7.609 1.00 0.00 H new ATOM 520 N LEU A 37 -8.170 -3.448 -3.570 1.00 0.00 N ATOM 521 CA LEU A 37 -7.435 -4.159 -2.541 1.00 0.00 C ATOM 522 C LEU A 37 -7.330 -3.286 -1.316 1.00 0.00 C ATOM 523 O LEU A 37 -7.245 -3.853 -0.241 1.00 0.00 O ATOM 524 CB LEU A 37 -6.065 -4.665 -3.023 1.00 0.00 C ATOM 525 CG LEU A 37 -5.097 -3.565 -3.486 1.00 0.00 C ATOM 526 CD1 LEU A 37 -4.236 -2.940 -2.383 1.00 0.00 C ATOM 527 CD2 LEU A 37 -4.150 -4.131 -4.543 1.00 0.00 C ATOM 0 H LEU A 37 -7.600 -3.129 -4.353 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.989 -5.062 -2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.596 -5.225 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.220 -5.363 -3.846 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.741 -2.774 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.589 -2.176 -2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.881 -2.486 -1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.624 -3.713 -1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.463 -3.351 -4.872 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.582 -4.958 -4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.728 -4.488 -5.395 1.00 0.00 H new ATOM 539 N LEU A 38 -7.381 -1.949 -1.415 1.00 0.00 N ATOM 540 CA LEU A 38 -7.233 -1.116 -0.249 1.00 0.00 C ATOM 541 C LEU A 38 -8.573 -0.961 0.471 1.00 0.00 C ATOM 542 O LEU A 38 -8.608 -0.711 1.672 1.00 0.00 O ATOM 543 CB LEU A 38 -6.534 0.216 -0.581 1.00 0.00 C ATOM 544 CG LEU A 38 -7.405 1.487 -0.563 1.00 0.00 C ATOM 545 CD1 LEU A 38 -6.487 2.710 -0.626 1.00 0.00 C ATOM 546 CD2 LEU A 38 -8.481 1.543 -1.647 1.00 0.00 C ATOM 0 H LEU A 38 -7.523 -1.441 -2.288 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.564 -1.610 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.717 0.355 0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.086 0.126 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.969 1.474 0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.090 3.618 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.818 2.707 0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.899 2.677 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.042 2.473 -1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.011 1.499 -2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.159 0.697 -1.531 1.00 0.00 H new ATOM 558 N VAL A 39 -9.677 -1.109 -0.254 1.00 0.00 N ATOM 559 CA VAL A 39 -11.038 -1.039 0.273 1.00 0.00 C ATOM 560 C VAL A 39 -11.308 -2.346 1.003 1.00 0.00 C ATOM 561 O VAL A 39 -11.788 -2.348 2.135 1.00 0.00 O ATOM 562 CB VAL A 39 -11.988 -0.754 -0.915 1.00 0.00 C ATOM 563 CG1 VAL A 39 -12.971 -1.855 -1.344 1.00 0.00 C ATOM 564 CG2 VAL A 39 -12.805 0.524 -0.722 1.00 0.00 C ATOM 0 H VAL A 39 -9.649 -1.287 -1.258 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.194 -0.236 0.993 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.256 -0.670 -1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.566 -1.503 -2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.415 -2.745 -1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -13.631 -2.099 -0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.454 0.675 -1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -13.413 0.435 0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.131 1.375 -0.622 1.00 0.00 H new ATOM 574 N SER A 40 -10.939 -3.445 0.352 1.00 0.00 N ATOM 575 CA SER A 40 -11.009 -4.794 0.868 1.00 0.00 C ATOM 576 C SER A 40 -10.070 -4.889 2.070 1.00 0.00 C ATOM 577 O SER A 40 -10.491 -5.349 3.135 1.00 0.00 O ATOM 578 CB SER A 40 -10.663 -5.782 -0.258 1.00 0.00 C ATOM 579 OG SER A 40 -11.454 -6.950 -0.229 1.00 0.00 O ATOM 0 H SER A 40 -10.565 -3.409 -0.596 1.00 0.00 H new ATOM 0 HA SER A 40 -12.011 -5.052 1.210 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.791 -5.287 -1.221 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.612 -6.060 -0.180 1.00 0.00 H new ATOM 0 HG SER A 40 -10.892 -7.720 -0.004 1.00 0.00 H new ATOM 585 N ALA A 41 -8.842 -4.357 1.958 1.00 0.00 N ATOM 586 CA ALA A 41 -7.886 -4.474 3.049 1.00 0.00 C ATOM 587 C ALA A 41 -8.161 -3.471 4.164 1.00 0.00 C ATOM 588 O ALA A 41 -7.751 -3.717 5.297 1.00 0.00 O ATOM 589 CB ALA A 41 -6.450 -4.363 2.537 1.00 0.00 C ATOM 0 H ALA A 41 -8.501 -3.854 1.139 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.011 -5.467 3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.757 -4.454 3.374 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.257 -5.160 1.818 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.310 -3.396 2.053 1.00 0.00 H new ATOM 595 N GLY A 42 -8.920 -2.407 3.905 1.00 0.00 N ATOM 596 CA GLY A 42 -9.498 -1.601 4.968 1.00 0.00 C ATOM 597 C GLY A 42 -8.597 -0.434 5.322 1.00 0.00 C ATOM 598 O GLY A 42 -8.571 0.010 6.473 1.00 0.00 O ATOM 0 H GLY A 42 -9.147 -2.086 2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.474 -1.229 4.656 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.660 -2.220 5.851 1.00 0.00 H new ATOM 602 N ILE A 43 -7.917 0.084 4.304 1.00 0.00 N ATOM 603 CA ILE A 43 -7.075 1.257 4.340 1.00 0.00 C ATOM 604 C ILE A 43 -8.074 2.415 4.302 1.00 0.00 C ATOM 605 O ILE A 43 -8.000 3.273 5.177 1.00 0.00 O ATOM 606 CB ILE A 43 -6.143 1.267 3.099 1.00 0.00 C ATOM 607 CG1 ILE A 43 -4.994 0.232 3.035 1.00 0.00 C ATOM 608 CG2 ILE A 43 -5.469 2.651 2.935 1.00 0.00 C ATOM 609 CD1 ILE A 43 -5.401 -1.203 3.340 1.00 0.00 C ATOM 0 H ILE A 43 -7.947 -0.338 3.376 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.423 1.307 5.212 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.844 1.001 2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.552 0.264 2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.217 0.531 3.739 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.820 2.638 2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.235 3.416 2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.877 2.875 3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.528 -1.852 3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.814 -1.258 4.347 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.153 -1.528 2.622 1.00 0.00 H new ATOM 621 N SER A 44 -9.043 2.406 3.369 1.00 0.00 N ATOM 622 CA SER A 44 -10.126 3.378 3.368 1.00 0.00 C ATOM 623 C SER A 44 -11.310 2.698 2.696 1.00 0.00 C ATOM 624 O SER A 44 -11.235 2.461 1.497 1.00 0.00 O ATOM 625 CB SER A 44 -9.680 4.665 2.662 1.00 0.00 C ATOM 626 OG SER A 44 -9.260 5.595 3.640 1.00 0.00 O ATOM 0 H SER A 44 -9.089 1.729 2.607 1.00 0.00 H new ATOM 0 HA SER A 44 -10.413 3.686 4.374 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.867 4.453 1.968 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.500 5.078 2.075 1.00 0.00 H new ATOM 0 HG SER A 44 -8.289 5.713 3.583 1.00 0.00 H new ATOM 632 N PRO A 45 -12.363 2.309 3.438 1.00 0.00 N ATOM 633 CA PRO A 45 -13.472 1.540 2.884 1.00 0.00 C ATOM 634 C PRO A 45 -14.512 2.414 2.172 1.00 0.00 C ATOM 635 O PRO A 45 -15.357 1.902 1.439 1.00 0.00 O ATOM 636 CB PRO A 45 -14.088 0.836 4.093 1.00 0.00 C ATOM 637 CG PRO A 45 -13.865 1.824 5.236 1.00 0.00 C ATOM 638 CD PRO A 45 -12.520 2.458 4.880 1.00 0.00 C ATOM 0 HA PRO A 45 -13.124 0.849 2.117 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.148 0.632 3.941 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.604 -0.121 4.290 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.661 2.567 5.289 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.832 1.322 6.203 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.498 3.510 5.166 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.706 1.966 5.412 1.00 0.00 H new ATOM 646 N SER A 46 -14.494 3.728 2.394 1.00 0.00 N ATOM 647 CA SER A 46 -15.471 4.633 1.802 1.00 0.00 C ATOM 648 C SER A 46 -14.994 4.950 0.391 1.00 0.00 C ATOM 649 O SER A 46 -13.904 5.488 0.267 1.00 0.00 O ATOM 650 CB SER A 46 -15.601 5.879 2.667 1.00 0.00 C ATOM 651 OG SER A 46 -16.505 6.813 2.109 1.00 0.00 O ATOM 0 H SER A 46 -13.804 4.190 2.987 1.00 0.00 H new ATOM 0 HA SER A 46 -16.463 4.185 1.749 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.940 5.596 3.664 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.622 6.345 2.783 1.00 0.00 H new ATOM 0 HG SER A 46 -16.565 7.599 2.692 1.00 0.00 H new ATOM 657 N LYS A 47 -15.744 4.631 -0.671 1.00 0.00 N ATOM 658 CA LYS A 47 -15.199 4.639 -2.037 1.00 0.00 C ATOM 659 C LYS A 47 -14.574 5.981 -2.467 1.00 0.00 C ATOM 660 O LYS A 47 -13.564 5.962 -3.167 1.00 0.00 O ATOM 661 CB LYS A 47 -16.253 4.147 -3.046 1.00 0.00 C ATOM 662 CG LYS A 47 -15.594 3.533 -4.294 1.00 0.00 C ATOM 663 CD LYS A 47 -16.624 3.243 -5.393 1.00 0.00 C ATOM 664 CE LYS A 47 -15.977 2.556 -6.604 1.00 0.00 C ATOM 665 NZ LYS A 47 -15.815 1.101 -6.417 1.00 0.00 N ATOM 0 H LYS A 47 -16.727 4.365 -0.613 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.364 3.938 -2.030 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.896 3.406 -2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.891 4.979 -3.342 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.835 4.214 -4.677 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.084 2.609 -4.020 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.415 2.609 -4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -17.092 4.175 -5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.587 2.738 -7.488 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.001 3.004 -6.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.374 0.689 -7.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.210 0.922 -5.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.747 0.665 -6.265 1.00 0.00 H new ATOM 679 N ARG A 48 -15.115 7.143 -2.059 1.00 0.00 N ATOM 680 CA ARG A 48 -14.420 8.427 -2.276 1.00 0.00 C ATOM 681 C ARG A 48 -13.085 8.399 -1.551 1.00 0.00 C ATOM 682 O ARG A 48 -12.063 8.645 -2.189 1.00 0.00 O ATOM 683 CB ARG A 48 -15.263 9.653 -1.885 1.00 0.00 C ATOM 684 CG ARG A 48 -14.442 10.951 -1.683 1.00 0.00 C ATOM 685 CD ARG A 48 -13.446 11.415 -2.772 1.00 0.00 C ATOM 686 NE ARG A 48 -14.029 12.360 -3.743 1.00 0.00 N ATOM 687 CZ ARG A 48 -13.423 13.452 -4.246 1.00 0.00 C ATOM 688 NH1 ARG A 48 -12.232 13.871 -3.832 1.00 0.00 N ATOM 689 NH2 ARG A 48 -14.037 14.148 -5.202 1.00 0.00 N ATOM 0 H ARG A 48 -16.015 7.221 -1.585 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.249 8.538 -3.347 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.011 9.827 -2.658 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.802 9.430 -0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.153 11.763 -1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -13.879 10.837 -0.756 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -12.588 11.885 -2.291 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.073 10.542 -3.307 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.978 12.169 -4.063 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -11.736 13.359 -3.102 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.813 14.705 -4.244 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -14.952 13.851 -5.542 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -13.592 14.978 -5.594 1.00 0.00 H new ATOM 703 N GLN A 49 -13.109 8.144 -0.240 1.00 0.00 N ATOM 704 CA GLN A 49 -11.901 8.186 0.557 1.00 0.00 C ATOM 705 C GLN A 49 -10.893 7.265 -0.061 1.00 0.00 C ATOM 706 O GLN A 49 -9.798 7.703 -0.316 1.00 0.00 O ATOM 707 CB GLN A 49 -12.160 7.756 2.006 1.00 0.00 C ATOM 708 CG GLN A 49 -11.102 8.298 2.980 1.00 0.00 C ATOM 709 CD GLN A 49 -10.950 9.814 2.896 1.00 0.00 C ATOM 710 OE1 GLN A 49 -11.876 10.556 3.200 1.00 0.00 O ATOM 711 NE2 GLN A 49 -9.809 10.295 2.433 1.00 0.00 N ATOM 0 H GLN A 49 -13.953 7.908 0.282 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.534 9.212 0.577 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.145 8.105 2.314 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -12.176 6.668 2.061 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.374 8.020 3.998 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.142 7.828 2.767 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.051 9.659 2.186 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.687 11.302 2.323 1.00 0.00 H new ATOM 720 N ALA A 50 -11.297 6.040 -0.366 1.00 0.00 N ATOM 721 CA ALA A 50 -10.490 5.031 -1.002 1.00 0.00 C ATOM 722 C ALA A 50 -9.765 5.593 -2.226 1.00 0.00 C ATOM 723 O ALA A 50 -8.537 5.568 -2.308 1.00 0.00 O ATOM 724 CB ALA A 50 -11.399 3.859 -1.396 1.00 0.00 C ATOM 0 H ALA A 50 -12.243 5.716 -0.163 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.724 4.687 -0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.804 3.084 -1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.872 3.449 -0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.167 4.210 -2.085 1.00 0.00 H new ATOM 730 N ARG A 51 -10.537 6.104 -3.189 1.00 0.00 N ATOM 731 CA ARG A 51 -9.978 6.559 -4.450 1.00 0.00 C ATOM 732 C ARG A 51 -9.067 7.765 -4.259 1.00 0.00 C ATOM 733 O ARG A 51 -8.143 7.912 -5.050 1.00 0.00 O ATOM 734 CB ARG A 51 -11.100 6.795 -5.475 1.00 0.00 C ATOM 735 CG ARG A 51 -10.626 6.549 -6.917 1.00 0.00 C ATOM 736 CD ARG A 51 -11.810 6.615 -7.895 1.00 0.00 C ATOM 737 NE ARG A 51 -11.502 5.976 -9.187 1.00 0.00 N ATOM 738 CZ ARG A 51 -11.728 4.704 -9.548 1.00 0.00 C ATOM 739 NH1 ARG A 51 -12.304 3.834 -8.722 1.00 0.00 N ATOM 740 NH2 ARG A 51 -11.365 4.288 -10.748 1.00 0.00 N ATOM 0 H ARG A 51 -11.549 6.210 -3.113 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.338 5.776 -4.856 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.939 6.136 -5.252 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.465 7.818 -5.383 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.879 7.293 -7.192 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.145 5.573 -6.986 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.676 6.127 -7.448 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.083 7.657 -8.063 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.065 6.572 -9.890 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.586 4.128 -7.787 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.463 2.873 -9.024 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.914 4.933 -11.397 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.535 3.321 -11.026 1.00 0.00 H new ATOM 754 N GLU A 52 -9.253 8.587 -3.224 1.00 0.00 N ATOM 755 CA GLU A 52 -8.330 9.693 -2.967 1.00 0.00 C ATOM 756 C GLU A 52 -7.169 9.288 -2.060 1.00 0.00 C ATOM 757 O GLU A 52 -6.058 9.789 -2.211 1.00 0.00 O ATOM 758 CB GLU A 52 -9.103 10.881 -2.405 1.00 0.00 C ATOM 759 CG GLU A 52 -8.228 12.145 -2.336 1.00 0.00 C ATOM 760 CD GLU A 52 -9.033 13.355 -1.849 1.00 0.00 C ATOM 761 OE1 GLU A 52 -10.271 13.386 -2.073 1.00 0.00 O ATOM 762 OE2 GLU A 52 -8.397 14.254 -1.262 1.00 0.00 O ATOM 0 H GLU A 52 -10.023 8.510 -2.559 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.875 9.984 -3.914 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.976 11.076 -3.028 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.471 10.638 -1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.387 11.971 -1.665 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.811 12.355 -3.321 1.00 0.00 H new ATOM 769 N ASP A 53 -7.371 8.322 -1.173 1.00 0.00 N ATOM 770 CA ASP A 53 -6.351 7.667 -0.394 1.00 0.00 C ATOM 771 C ASP A 53 -5.411 6.925 -1.307 1.00 0.00 C ATOM 772 O ASP A 53 -4.289 6.649 -0.895 1.00 0.00 O ATOM 773 CB ASP A 53 -6.998 6.701 0.605 1.00 0.00 C ATOM 774 CG ASP A 53 -7.255 7.330 1.969 1.00 0.00 C ATOM 775 OD1 ASP A 53 -7.689 8.502 2.058 1.00 0.00 O ATOM 776 OD2 ASP A 53 -6.917 6.678 2.979 1.00 0.00 O ATOM 0 H ASP A 53 -8.304 7.962 -0.974 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.785 8.415 0.160 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.942 6.342 0.194 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.353 5.831 0.729 1.00 0.00 H new ATOM 781 N ILE A 54 -5.866 6.641 -2.526 1.00 0.00 N ATOM 782 CA ILE A 54 -5.048 6.248 -3.634 1.00 0.00 C ATOM 783 C ILE A 54 -4.477 7.467 -4.287 1.00 0.00 C ATOM 784 O ILE A 54 -3.275 7.593 -4.227 1.00 0.00 O ATOM 785 CB ILE A 54 -5.823 5.365 -4.611 1.00 0.00 C ATOM 786 CG1 ILE A 54 -5.960 4.052 -3.853 1.00 0.00 C ATOM 787 CG2 ILE A 54 -5.109 5.180 -5.964 1.00 0.00 C ATOM 788 CD1 ILE A 54 -6.997 3.160 -4.451 1.00 0.00 C ATOM 0 H ILE A 54 -6.858 6.685 -2.761 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.219 5.639 -3.274 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.780 5.805 -4.893 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.000 3.536 -3.847 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.217 4.259 -2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.713 4.543 -6.610 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.971 6.152 -6.439 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.137 4.714 -5.802 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.058 2.236 -3.876 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.964 3.663 -4.433 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.728 2.929 -5.482 1.00 0.00 H new ATOM 800 N GLN A 55 -5.285 8.327 -4.911 1.00 0.00 N ATOM 801 CA GLN A 55 -4.823 9.353 -5.838 1.00 0.00 C ATOM 802 C GLN A 55 -3.953 10.403 -5.164 1.00 0.00 C ATOM 803 O GLN A 55 -3.373 11.259 -5.832 1.00 0.00 O ATOM 804 CB GLN A 55 -6.025 9.973 -6.555 1.00 0.00 C ATOM 805 CG GLN A 55 -6.549 8.997 -7.619 1.00 0.00 C ATOM 806 CD GLN A 55 -7.879 9.426 -8.241 1.00 0.00 C ATOM 807 OE1 GLN A 55 -8.429 10.489 -7.974 1.00 0.00 O ATOM 808 NE2 GLN A 55 -8.443 8.589 -9.095 1.00 0.00 N ATOM 0 H GLN A 55 -6.297 8.327 -4.781 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.180 8.878 -6.579 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.812 10.201 -5.836 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.737 10.915 -7.021 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.804 8.898 -8.408 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.669 8.012 -7.169 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.987 7.704 -9.318 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.334 8.828 -9.530 1.00 0.00 H new ATOM 817 N ASN A 56 -3.818 10.342 -3.844 1.00 0.00 N ATOM 818 CA ASN A 56 -2.792 11.066 -3.159 1.00 0.00 C ATOM 819 C ASN A 56 -1.426 10.429 -3.289 1.00 0.00 C ATOM 820 O ASN A 56 -1.194 9.295 -2.892 1.00 0.00 O ATOM 821 CB ASN A 56 -3.111 11.125 -1.650 1.00 0.00 C ATOM 822 CG ASN A 56 -4.195 12.064 -1.139 1.00 0.00 C ATOM 823 OD1 ASN A 56 -4.373 12.123 0.079 1.00 0.00 O ATOM 824 ND2 ASN A 56 -4.891 12.805 -1.984 1.00 0.00 N ATOM 0 H ASN A 56 -4.421 9.788 -3.235 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.769 12.054 -3.618 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.380 10.117 -1.336 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.187 11.384 -1.133 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.600 13.449 -1.633 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.719 12.732 -2.987 1.00 0.00 H new ATOM 831 N GLY A 57 -0.444 11.282 -3.566 1.00 0.00 N ATOM 832 CA GLY A 57 0.978 11.024 -3.430 1.00 0.00 C ATOM 833 C GLY A 57 1.410 10.981 -1.960 1.00 0.00 C ATOM 834 O GLY A 57 2.501 11.419 -1.612 1.00 0.00 O ATOM 0 H GLY A 57 -0.635 12.223 -3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.223 10.076 -3.909 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.540 11.799 -3.952 1.00 0.00 H new ATOM 838 N ALA A 58 0.531 10.483 -1.100 1.00 0.00 N ATOM 839 CA ALA A 58 0.764 10.094 0.276 1.00 0.00 C ATOM 840 C ALA A 58 0.484 8.602 0.484 1.00 0.00 C ATOM 841 O ALA A 58 0.536 8.164 1.625 1.00 0.00 O ATOM 842 CB ALA A 58 -0.016 11.020 1.216 1.00 0.00 C ATOM 0 H ALA A 58 -0.440 10.330 -1.373 1.00 0.00 H new ATOM 0 HA ALA A 58 1.818 10.219 0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.162 10.723 2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.315 12.048 1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.081 10.948 0.997 1.00 0.00 H new ATOM 848 N ILE A 59 0.164 7.809 -0.543 1.00 0.00 N ATOM 849 CA ILE A 59 0.227 6.352 -0.472 1.00 0.00 C ATOM 850 C ILE A 59 1.508 5.933 -1.204 1.00 0.00 C ATOM 851 O ILE A 59 1.653 5.965 -2.432 1.00 0.00 O ATOM 852 CB ILE A 59 -1.134 5.767 -0.824 1.00 0.00 C ATOM 853 CG1 ILE A 59 -1.253 4.254 -0.717 1.00 0.00 C ATOM 854 CG2 ILE A 59 -1.637 6.288 -2.166 1.00 0.00 C ATOM 855 CD1 ILE A 59 -0.428 3.533 -1.766 1.00 0.00 C ATOM 0 H ILE A 59 -0.146 8.163 -1.448 1.00 0.00 H new ATOM 0 HA ILE A 59 0.360 5.908 0.515 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.794 6.132 -0.037 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.932 3.936 0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.299 3.966 -0.821 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.611 5.849 -2.385 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.729 7.373 -2.124 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.931 6.014 -2.950 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.548 2.456 -1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.765 3.827 -2.760 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.623 3.797 -1.647 1.00 0.00 H new ATOM 867 N TYR A 60 2.512 5.656 -0.375 1.00 0.00 N ATOM 868 CA TYR A 60 3.805 5.189 -0.778 1.00 0.00 C ATOM 869 C TYR A 60 3.750 3.660 -0.831 1.00 0.00 C ATOM 870 O TYR A 60 3.782 2.989 0.204 1.00 0.00 O ATOM 871 CB TYR A 60 4.891 5.818 0.113 1.00 0.00 C ATOM 872 CG TYR A 60 4.709 7.278 0.502 1.00 0.00 C ATOM 873 CD1 TYR A 60 3.959 7.631 1.637 1.00 0.00 C ATOM 874 CD2 TYR A 60 5.333 8.293 -0.243 1.00 0.00 C ATOM 875 CE1 TYR A 60 3.770 8.975 1.986 1.00 0.00 C ATOM 876 CE2 TYR A 60 5.167 9.645 0.101 1.00 0.00 C ATOM 877 CZ TYR A 60 4.371 9.992 1.214 1.00 0.00 C ATOM 878 OH TYR A 60 4.187 11.293 1.574 1.00 0.00 O ATOM 0 H TYR A 60 2.427 5.761 0.636 1.00 0.00 H new ATOM 0 HA TYR A 60 4.088 5.510 -1.781 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.960 5.230 1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.848 5.721 -0.401 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.522 6.856 2.249 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.948 8.030 -1.091 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.166 9.232 2.844 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.647 10.416 -0.484 1.00 0.00 H new ATOM 0 HH TYR A 60 4.663 11.876 0.947 1.00 0.00 H new ATOM 888 N VAL A 61 3.574 3.105 -2.030 1.00 0.00 N ATOM 889 CA VAL A 61 3.554 1.662 -2.240 1.00 0.00 C ATOM 890 C VAL A 61 4.994 1.203 -2.253 1.00 0.00 C ATOM 891 O VAL A 61 5.828 1.832 -2.892 1.00 0.00 O ATOM 892 CB VAL A 61 2.877 1.243 -3.557 1.00 0.00 C ATOM 893 CG1 VAL A 61 2.796 -0.290 -3.632 1.00 0.00 C ATOM 894 CG2 VAL A 61 1.454 1.772 -3.606 1.00 0.00 C ATOM 0 H VAL A 61 3.441 3.647 -2.884 1.00 0.00 H new ATOM 0 HA VAL A 61 2.970 1.204 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 61 3.463 1.645 -4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.316 -0.584 -4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.801 -0.710 -3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.213 -0.665 -2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.985 1.469 -4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.886 1.367 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.468 2.860 -3.542 1.00 0.00 H new ATOM 904 N ASN A 62 5.299 0.105 -1.557 1.00 0.00 N ATOM 905 CA ASN A 62 6.685 -0.358 -1.403 1.00 0.00 C ATOM 906 C ASN A 62 7.549 0.767 -0.807 1.00 0.00 C ATOM 907 O ASN A 62 8.752 0.845 -1.026 1.00 0.00 O ATOM 908 CB ASN A 62 7.241 -0.898 -2.728 1.00 0.00 C ATOM 909 CG ASN A 62 6.682 -2.209 -3.212 1.00 0.00 C ATOM 910 OD1 ASN A 62 7.271 -2.803 -4.102 1.00 0.00 O ATOM 911 ND2 ASN A 62 5.517 -2.636 -2.738 1.00 0.00 N ATOM 0 H ASN A 62 4.607 -0.481 -1.090 1.00 0.00 H new ATOM 0 HA ASN A 62 6.708 -1.194 -0.704 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.068 -0.149 -3.500 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.321 -1.006 -2.625 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.091 -3.481 -3.118 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.049 -2.119 -1.994 1.00 0.00 H new ATOM 918 N GLY A 63 6.905 1.647 -0.042 1.00 0.00 N ATOM 919 CA GLY A 63 7.511 2.792 0.601 1.00 0.00 C ATOM 920 C GLY A 63 7.713 3.975 -0.341 1.00 0.00 C ATOM 921 O GLY A 63 8.345 4.941 0.087 1.00 0.00 O ATOM 0 H GLY A 63 5.906 1.571 0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.885 3.104 1.437 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.475 2.499 1.017 1.00 0.00 H new ATOM 925 N GLU A 64 7.184 3.975 -1.572 1.00 0.00 N ATOM 926 CA GLU A 64 7.483 4.994 -2.572 1.00 0.00 C ATOM 927 C GLU A 64 6.176 5.434 -3.262 1.00 0.00 C ATOM 928 O GLU A 64 5.299 4.623 -3.544 1.00 0.00 O ATOM 929 CB GLU A 64 8.604 4.441 -3.472 1.00 0.00 C ATOM 930 CG GLU A 64 8.177 3.884 -4.829 1.00 0.00 C ATOM 931 CD GLU A 64 8.099 4.938 -5.937 1.00 0.00 C ATOM 932 OE1 GLU A 64 8.270 6.151 -5.656 1.00 0.00 O ATOM 933 OE2 GLU A 64 8.015 4.504 -7.106 1.00 0.00 O ATOM 0 H GLU A 64 6.533 3.261 -1.898 1.00 0.00 H new ATOM 0 HA GLU A 64 7.873 5.923 -2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.328 5.237 -3.643 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.121 3.651 -2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.880 3.107 -5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.202 3.408 -4.725 1.00 0.00 H new ATOM 940 N ARG A 65 5.974 6.744 -3.405 1.00 0.00 N ATOM 941 CA ARG A 65 4.731 7.417 -3.773 1.00 0.00 C ATOM 942 C ARG A 65 4.231 6.865 -5.099 1.00 0.00 C ATOM 943 O ARG A 65 4.829 7.169 -6.130 1.00 0.00 O ATOM 944 CB ARG A 65 5.024 8.936 -3.825 1.00 0.00 C ATOM 945 CG ARG A 65 3.909 9.834 -4.404 1.00 0.00 C ATOM 946 CD ARG A 65 4.376 10.679 -5.600 1.00 0.00 C ATOM 947 NE ARG A 65 4.840 9.806 -6.680 1.00 0.00 N ATOM 948 CZ ARG A 65 4.795 9.959 -8.000 1.00 0.00 C ATOM 949 NH1 ARG A 65 4.467 11.120 -8.546 1.00 0.00 N ATOM 950 NH2 ARG A 65 5.073 8.899 -8.746 1.00 0.00 N ATOM 0 H ARG A 65 6.732 7.410 -3.255 1.00 0.00 H new ATOM 0 HA ARG A 65 3.939 7.241 -3.045 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.244 9.276 -2.813 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.927 9.089 -4.416 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.071 9.209 -4.713 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.540 10.496 -3.621 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.558 11.306 -5.954 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.179 11.348 -5.291 1.00 0.00 H new ATOM 0 HE ARG A 65 5.269 8.935 -6.368 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.243 11.918 -7.952 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.438 11.216 -9.561 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.309 8.011 -8.303 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.050 8.971 -9.763 1.00 0.00 H new ATOM 964 N LEU A 66 3.135 6.108 -5.102 1.00 0.00 N ATOM 965 CA LEU A 66 2.526 5.622 -6.329 1.00 0.00 C ATOM 966 C LEU A 66 1.009 5.605 -6.095 1.00 0.00 C ATOM 967 O LEU A 66 0.521 4.836 -5.274 1.00 0.00 O ATOM 968 CB LEU A 66 3.114 4.263 -6.688 1.00 0.00 C ATOM 969 CG LEU A 66 4.553 4.246 -7.228 1.00 0.00 C ATOM 970 CD1 LEU A 66 4.899 2.784 -7.476 1.00 0.00 C ATOM 971 CD2 LEU A 66 4.756 4.999 -8.548 1.00 0.00 C ATOM 0 H LEU A 66 2.649 5.817 -4.254 1.00 0.00 H new ATOM 0 HA LEU A 66 2.733 6.263 -7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.078 3.633 -5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.467 3.800 -7.433 1.00 0.00 H new ATOM 0 HG LEU A 66 5.183 4.747 -6.493 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.916 2.711 -7.862 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.826 2.229 -6.541 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.204 2.364 -8.203 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.802 4.931 -8.849 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.127 4.556 -9.320 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.484 6.046 -8.415 1.00 0.00 H new ATOM 983 N GLN A 67 0.280 6.494 -6.772 1.00 0.00 N ATOM 984 CA GLN A 67 -1.096 6.912 -6.514 1.00 0.00 C ATOM 985 C GLN A 67 -2.045 6.600 -7.688 1.00 0.00 C ATOM 986 O GLN A 67 -3.043 7.290 -7.871 1.00 0.00 O ATOM 987 CB GLN A 67 -1.067 8.401 -6.046 1.00 0.00 C ATOM 988 CG GLN A 67 -0.781 9.606 -6.946 1.00 0.00 C ATOM 989 CD GLN A 67 0.290 9.398 -8.014 1.00 0.00 C ATOM 990 OE1 GLN A 67 0.188 8.509 -8.852 1.00 0.00 O ATOM 991 NE2 GLN A 67 1.338 10.200 -8.043 1.00 0.00 N ATOM 0 H GLN A 67 0.670 6.979 -7.580 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.532 6.324 -5.707 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.041 8.591 -5.595 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.330 8.447 -5.244 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.709 9.895 -7.440 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.481 10.443 -6.316 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.431 10.942 -7.350 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.054 10.077 -8.759 1.00 0.00 H new ATOM 1000 N ASP A 68 -1.762 5.569 -8.497 1.00 0.00 N ATOM 1001 CA ASP A 68 -2.528 5.239 -9.699 1.00 0.00 C ATOM 1002 C ASP A 68 -2.693 3.729 -9.933 1.00 0.00 C ATOM 1003 O ASP A 68 -1.871 2.932 -9.494 1.00 0.00 O ATOM 1004 CB ASP A 68 -1.801 5.872 -10.884 1.00 0.00 C ATOM 1005 CG ASP A 68 -2.540 5.644 -12.197 1.00 0.00 C ATOM 1006 OD1 ASP A 68 -3.794 5.668 -12.213 1.00 0.00 O ATOM 1007 OD2 ASP A 68 -1.872 5.362 -13.214 1.00 0.00 O ATOM 0 H ASP A 68 -0.982 4.934 -8.329 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.539 5.627 -9.578 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.691 6.943 -10.711 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.796 5.456 -10.957 1.00 0.00 H new ATOM 1012 N VAL A 69 -3.722 3.333 -10.682 1.00 0.00 N ATOM 1013 CA VAL A 69 -4.002 1.973 -11.154 1.00 0.00 C ATOM 1014 C VAL A 69 -2.982 1.541 -12.207 1.00 0.00 C ATOM 1015 O VAL A 69 -2.479 0.422 -12.145 1.00 0.00 O ATOM 1016 CB VAL A 69 -5.475 1.948 -11.623 1.00 0.00 C ATOM 1017 CG1 VAL A 69 -5.702 2.531 -13.028 1.00 0.00 C ATOM 1018 CG2 VAL A 69 -6.096 0.555 -11.542 1.00 0.00 C ATOM 0 H VAL A 69 -4.430 3.996 -10.997 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.891 1.231 -10.363 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.981 2.604 -10.915 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.761 2.475 -13.278 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.380 3.572 -13.046 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.126 1.960 -13.756 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.130 0.597 -11.883 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.533 -0.132 -12.174 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.068 0.204 -10.510 1.00 0.00 H new ATOM 1028 N GLY A 70 -2.587 2.450 -13.103 1.00 0.00 N ATOM 1029 CA GLY A 70 -1.480 2.215 -14.013 1.00 0.00 C ATOM 1030 C GLY A 70 -0.143 2.227 -13.286 1.00 0.00 C ATOM 1031 O GLY A 70 0.862 1.800 -13.854 1.00 0.00 O ATOM 0 H GLY A 70 -3.028 3.363 -13.212 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.615 1.255 -14.511 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.479 2.979 -14.790 1.00 0.00 H new ATOM 1035 N ALA A 71 -0.118 2.693 -12.035 1.00 0.00 N ATOM 1036 CA ALA A 71 1.016 2.505 -11.156 1.00 0.00 C ATOM 1037 C ALA A 71 0.967 1.112 -10.531 1.00 0.00 C ATOM 1038 O ALA A 71 1.945 0.387 -10.735 1.00 0.00 O ATOM 1039 CB ALA A 71 1.220 3.657 -10.172 1.00 0.00 C ATOM 0 H ALA A 71 -0.889 3.210 -11.612 1.00 0.00 H new ATOM 0 HA ALA A 71 1.928 2.543 -11.751 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.087 3.450 -9.544 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.384 4.582 -10.724 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.334 3.761 -9.545 1.00 0.00 H new ATOM 1045 N ILE A 72 -0.086 0.705 -9.794 1.00 0.00 N ATOM 1046 CA ILE A 72 -0.127 -0.586 -9.118 1.00 0.00 C ATOM 1047 C ILE A 72 -1.494 -1.289 -9.191 1.00 0.00 C ATOM 1048 O ILE A 72 -2.534 -0.678 -8.930 1.00 0.00 O ATOM 1049 CB ILE A 72 0.270 -0.429 -7.641 1.00 0.00 C ATOM 1050 CG1 ILE A 72 1.319 0.659 -7.332 1.00 0.00 C ATOM 1051 CG2 ILE A 72 0.829 -1.770 -7.148 1.00 0.00 C ATOM 1052 CD1 ILE A 72 0.681 1.964 -6.840 1.00 0.00 C ATOM 0 H ILE A 72 -0.925 1.268 -9.657 1.00 0.00 H new ATOM 0 HA ILE A 72 0.586 -1.215 -9.651 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.641 -0.115 -7.132 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.011 0.288 -6.576 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.905 0.860 -8.229 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.117 -1.681 -6.101 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.066 -2.542 -7.250 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.701 -2.041 -7.743 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.462 2.697 -6.637 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.010 2.352 -7.606 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.117 1.772 -5.927 1.00 0.00 H new ATOM 1064 N LEU A 73 -1.469 -2.608 -9.433 1.00 0.00 N ATOM 1065 CA LEU A 73 -2.541 -3.545 -9.228 1.00 0.00 C ATOM 1066 C LEU A 73 -2.041 -4.332 -8.003 1.00 0.00 C ATOM 1067 O LEU A 73 -2.092 -3.836 -6.878 1.00 0.00 O ATOM 1068 CB LEU A 73 -2.853 -4.316 -10.525 1.00 0.00 C ATOM 1069 CG LEU A 73 -3.245 -3.353 -11.676 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -3.441 -4.092 -12.998 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -4.520 -2.562 -11.406 1.00 0.00 C ATOM 0 H LEU A 73 -0.633 -3.062 -9.802 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.528 -3.135 -9.013 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.983 -4.902 -10.820 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.665 -5.020 -10.345 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.405 -2.662 -11.739 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.715 -3.379 -13.776 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.514 -4.594 -13.275 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.235 -4.831 -12.888 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.731 -1.911 -12.254 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.352 -3.251 -11.262 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.390 -1.958 -10.508 1.00 0.00 H new ATOM 1083 N THR A 74 -1.391 -5.473 -8.195 1.00 0.00 N ATOM 1084 CA THR A 74 -1.134 -6.489 -7.175 1.00 0.00 C ATOM 1085 C THR A 74 0.305 -6.577 -6.680 1.00 0.00 C ATOM 1086 O THR A 74 1.159 -5.776 -7.058 1.00 0.00 O ATOM 1087 CB THR A 74 -1.597 -7.840 -7.741 1.00 0.00 C ATOM 1088 OG1 THR A 74 -1.688 -7.779 -9.157 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.963 -8.086 -7.124 1.00 0.00 C ATOM 0 H THR A 74 -1.010 -5.729 -9.106 1.00 0.00 H new ATOM 0 HA THR A 74 -1.694 -6.198 -6.286 1.00 0.00 H new ATOM 0 HB THR A 74 -0.898 -8.643 -7.506 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.894 -8.193 -9.554 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.359 -9.036 -7.483 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.871 -8.118 -6.038 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.641 -7.281 -7.407 1.00 0.00 H new ATOM 1097 N ALA A 75 0.575 -7.543 -5.800 1.00 0.00 N ATOM 1098 CA ALA A 75 1.907 -7.851 -5.326 1.00 0.00 C ATOM 1099 C ALA A 75 2.839 -8.165 -6.484 1.00 0.00 C ATOM 1100 O ALA A 75 3.868 -7.523 -6.624 1.00 0.00 O ATOM 1101 CB ALA A 75 1.839 -9.041 -4.365 1.00 0.00 C ATOM 0 H ALA A 75 -0.147 -8.139 -5.395 1.00 0.00 H new ATOM 0 HA ALA A 75 2.304 -6.980 -4.804 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.841 -9.276 -4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.200 -8.789 -3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.428 -9.906 -4.886 1.00 0.00 H new ATOM 1107 N GLU A 76 2.469 -9.122 -7.330 1.00 0.00 N ATOM 1108 CA GLU A 76 3.197 -9.489 -8.548 1.00 0.00 C ATOM 1109 C GLU A 76 3.109 -8.435 -9.644 1.00 0.00 C ATOM 1110 O GLU A 76 3.750 -8.588 -10.679 1.00 0.00 O ATOM 1111 CB GLU A 76 2.713 -10.852 -9.059 1.00 0.00 C ATOM 1112 CG GLU A 76 1.196 -10.996 -9.211 1.00 0.00 C ATOM 1113 CD GLU A 76 0.602 -10.416 -10.487 1.00 0.00 C ATOM 1114 OE1 GLU A 76 0.925 -10.907 -11.592 1.00 0.00 O ATOM 1115 OE2 GLU A 76 -0.285 -9.542 -10.345 1.00 0.00 O ATOM 0 H GLU A 76 1.629 -9.683 -7.186 1.00 0.00 H new ATOM 0 HA GLU A 76 4.251 -9.554 -8.279 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.178 -11.044 -10.026 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.067 -11.624 -8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.944 -12.055 -9.164 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.717 -10.516 -8.358 1.00 0.00 H new ATOM 1122 N HIS A 77 2.342 -7.367 -9.432 1.00 0.00 N ATOM 1123 CA HIS A 77 2.424 -6.194 -10.287 1.00 0.00 C ATOM 1124 C HIS A 77 3.488 -5.228 -9.763 1.00 0.00 C ATOM 1125 O HIS A 77 3.991 -4.416 -10.538 1.00 0.00 O ATOM 1126 CB HIS A 77 1.057 -5.523 -10.320 1.00 0.00 C ATOM 1127 CG HIS A 77 0.914 -4.376 -11.274 1.00 0.00 C ATOM 1128 ND1 HIS A 77 1.319 -3.083 -11.034 1.00 0.00 N ATOM 1129 CD2 HIS A 77 0.054 -4.353 -12.332 1.00 0.00 C ATOM 1130 CE1 HIS A 77 0.638 -2.291 -11.877 1.00 0.00 C ATOM 1131 NE2 HIS A 77 -0.091 -3.023 -12.726 1.00 0.00 N ATOM 0 H HIS A 77 1.660 -7.294 -8.677 1.00 0.00 H new ATOM 0 HA HIS A 77 2.711 -6.489 -11.296 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.310 -6.276 -10.573 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.824 -5.167 -9.316 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.427 -5.209 -12.783 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.674 -1.212 -11.870 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.645 -2.676 -13.509 1.00 0.00 H new ATOM 1139 N ARG A 78 3.824 -5.273 -8.463 1.00 0.00 N ATOM 1140 CA ARG A 78 4.691 -4.284 -7.848 1.00 0.00 C ATOM 1141 C ARG A 78 6.060 -4.912 -7.619 1.00 0.00 C ATOM 1142 O ARG A 78 7.034 -4.442 -8.204 1.00 0.00 O ATOM 1143 CB ARG A 78 4.041 -3.687 -6.580 1.00 0.00 C ATOM 1144 CG ARG A 78 4.485 -2.255 -6.191 1.00 0.00 C ATOM 1145 CD ARG A 78 5.803 -1.784 -6.833 1.00 0.00 C ATOM 1146 NE ARG A 78 6.153 -0.385 -6.540 1.00 0.00 N ATOM 1147 CZ ARG A 78 7.404 0.035 -6.311 1.00 0.00 C ATOM 1148 NH1 ARG A 78 8.338 -0.789 -5.849 1.00 0.00 N ATOM 1149 NH2 ARG A 78 7.738 1.297 -6.527 1.00 0.00 N ATOM 0 H ARG A 78 3.498 -5.996 -7.822 1.00 0.00 H new ATOM 0 HA ARG A 78 4.835 -3.430 -8.510 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.960 -3.684 -6.719 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.253 -4.351 -5.742 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.694 -1.558 -6.468 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.588 -2.205 -5.107 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.612 -2.428 -6.489 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.733 -1.910 -7.913 1.00 0.00 H new ATOM 0 HE ARG A 78 5.401 0.303 -6.510 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.109 -1.765 -5.661 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.284 -0.446 -5.682 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.041 1.958 -6.870 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.693 1.609 -6.350 1.00 0.00 H new ATOM 1163 N LEU A 79 6.166 -5.925 -6.756 1.00 0.00 N ATOM 1164 CA LEU A 79 7.370 -6.682 -6.530 1.00 0.00 C ATOM 1165 C LEU A 79 7.371 -7.879 -7.486 1.00 0.00 C ATOM 1166 O LEU A 79 6.439 -8.061 -8.273 1.00 0.00 O ATOM 1167 CB LEU A 79 7.457 -7.077 -5.038 1.00 0.00 C ATOM 1168 CG LEU A 79 6.249 -6.924 -4.085 1.00 0.00 C ATOM 1169 CD1 LEU A 79 6.622 -7.535 -2.732 1.00 0.00 C ATOM 1170 CD2 LEU A 79 5.906 -5.474 -3.737 1.00 0.00 C ATOM 0 H LEU A 79 5.383 -6.240 -6.183 1.00 0.00 H new ATOM 0 HA LEU A 79 8.264 -6.095 -6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.754 -8.125 -5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.275 -6.501 -4.606 1.00 0.00 H new ATOM 0 HG LEU A 79 5.412 -7.394 -4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.782 -7.437 -2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.862 -8.590 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.488 -7.014 -2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.048 -5.454 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.760 -5.005 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.665 -4.928 -4.649 1.00 0.00 H new ATOM 1182 N GLU A 80 8.385 -8.740 -7.374 1.00 0.00 N ATOM 1183 CA GLU A 80 8.441 -10.036 -8.053 1.00 0.00 C ATOM 1184 C GLU A 80 7.204 -10.900 -7.766 1.00 0.00 C ATOM 1185 O GLU A 80 6.909 -11.813 -8.534 1.00 0.00 O ATOM 1186 CB GLU A 80 9.716 -10.778 -7.622 1.00 0.00 C ATOM 1187 CG GLU A 80 9.599 -11.357 -6.200 1.00 0.00 C ATOM 1188 CD GLU A 80 10.931 -11.415 -5.467 1.00 0.00 C ATOM 1189 OE1 GLU A 80 11.776 -12.286 -5.793 1.00 0.00 O ATOM 1190 OE2 GLU A 80 11.098 -10.603 -4.529 1.00 0.00 O ATOM 0 H GLU A 80 9.205 -8.552 -6.798 1.00 0.00 H new ATOM 0 HA GLU A 80 8.457 -9.851 -9.127 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.920 -11.585 -8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.564 -10.095 -7.666 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.900 -10.751 -5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.178 -12.361 -6.257 1.00 0.00 H new ATOM 1197 N GLY A 81 6.487 -10.631 -6.670 1.00 0.00 N ATOM 1198 CA GLY A 81 5.236 -11.238 -6.320 1.00 0.00 C ATOM 1199 C GLY A 81 5.277 -11.936 -4.976 1.00 0.00 C ATOM 1200 O GLY A 81 5.499 -13.143 -4.918 1.00 0.00 O ATOM 0 H GLY A 81 6.795 -9.946 -5.980 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.459 -10.474 -6.304 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.959 -11.958 -7.090 1.00 0.00 H new ATOM 1204 N ARG A 82 5.044 -11.187 -3.897 1.00 0.00 N ATOM 1205 CA ARG A 82 4.708 -11.766 -2.594 1.00 0.00 C ATOM 1206 C ARG A 82 3.655 -10.882 -1.952 1.00 0.00 C ATOM 1207 O ARG A 82 2.507 -11.295 -1.800 1.00 0.00 O ATOM 1208 CB ARG A 82 5.928 -11.982 -1.673 1.00 0.00 C ATOM 1209 CG ARG A 82 6.877 -13.076 -2.189 1.00 0.00 C ATOM 1210 CD ARG A 82 7.827 -13.614 -1.107 1.00 0.00 C ATOM 1211 NE ARG A 82 7.168 -14.556 -0.182 1.00 0.00 N ATOM 1212 CZ ARG A 82 6.807 -15.817 -0.462 1.00 0.00 C ATOM 1213 NH1 ARG A 82 7.045 -16.336 -1.660 1.00 0.00 N ATOM 1214 NH2 ARG A 82 6.212 -16.557 0.465 1.00 0.00 N ATOM 0 H ARG A 82 5.082 -10.168 -3.900 1.00 0.00 H new ATOM 0 HA ARG A 82 4.317 -12.771 -2.750 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.477 -11.045 -1.579 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.581 -12.249 -0.675 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.287 -13.901 -2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.466 -12.677 -3.015 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.670 -14.112 -1.586 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.233 -12.777 -0.538 1.00 0.00 H new ATOM 0 HE ARG A 82 6.968 -14.216 0.759 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.506 -15.775 -2.376 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.767 -17.296 -1.864 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.030 -16.167 1.390 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.937 -17.516 0.253 1.00 0.00 H new ATOM 1228 N PHE A 83 4.043 -9.658 -1.603 1.00 0.00 N ATOM 1229 CA PHE A 83 3.250 -8.730 -0.811 1.00 0.00 C ATOM 1230 C PHE A 83 3.163 -7.381 -1.527 1.00 0.00 C ATOM 1231 O PHE A 83 3.545 -7.270 -2.684 1.00 0.00 O ATOM 1232 CB PHE A 83 3.917 -8.559 0.568 1.00 0.00 C ATOM 1233 CG PHE A 83 4.280 -9.820 1.328 1.00 0.00 C ATOM 1234 CD1 PHE A 83 3.479 -10.977 1.255 1.00 0.00 C ATOM 1235 CD2 PHE A 83 5.420 -9.821 2.149 1.00 0.00 C ATOM 1236 CE1 PHE A 83 3.802 -12.121 1.997 1.00 0.00 C ATOM 1237 CE2 PHE A 83 5.738 -10.962 2.898 1.00 0.00 C ATOM 1238 CZ PHE A 83 4.930 -12.103 2.826 1.00 0.00 C ATOM 0 H PHE A 83 4.949 -9.275 -1.874 1.00 0.00 H new ATOM 0 HA PHE A 83 2.240 -9.119 -0.682 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.827 -7.974 0.432 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.249 -7.968 1.195 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.606 -10.982 0.620 1.00 0.00 H new ATOM 0 HD2 PHE A 83 6.049 -8.945 2.203 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.188 -13.007 1.930 1.00 0.00 H new ATOM 0 HE2 PHE A 83 6.611 -10.961 3.534 1.00 0.00 H new ATOM 0 HZ PHE A 83 5.178 -12.975 3.413 1.00 0.00 H new ATOM 1248 N THR A 84 2.687 -6.347 -0.848 1.00 0.00 N ATOM 1249 CA THR A 84 2.838 -4.954 -1.218 1.00 0.00 C ATOM 1250 C THR A 84 2.789 -4.202 0.119 1.00 0.00 C ATOM 1251 O THR A 84 1.922 -4.462 0.960 1.00 0.00 O ATOM 1252 CB THR A 84 1.780 -4.538 -2.266 1.00 0.00 C ATOM 1253 OG1 THR A 84 2.427 -4.105 -3.444 1.00 0.00 O ATOM 1254 CG2 THR A 84 0.853 -3.390 -1.856 1.00 0.00 C ATOM 0 H THR A 84 2.160 -6.467 0.017 1.00 0.00 H new ATOM 0 HA THR A 84 3.773 -4.724 -1.729 1.00 0.00 H new ATOM 0 HB THR A 84 1.170 -5.432 -2.392 1.00 0.00 H new ATOM 0 HG1 THR A 84 1.756 -3.843 -4.108 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.152 -3.182 -2.664 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.300 -3.671 -0.960 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.446 -2.499 -1.652 1.00 0.00 H new ATOM 1262 N VAL A 85 3.753 -3.309 0.341 1.00 0.00 N ATOM 1263 CA VAL A 85 3.749 -2.373 1.466 1.00 0.00 C ATOM 1264 C VAL A 85 2.852 -1.209 1.048 1.00 0.00 C ATOM 1265 O VAL A 85 2.998 -0.745 -0.085 1.00 0.00 O ATOM 1266 CB VAL A 85 5.188 -1.866 1.757 1.00 0.00 C ATOM 1267 CG1 VAL A 85 5.326 -1.268 3.161 1.00 0.00 C ATOM 1268 CG2 VAL A 85 6.236 -2.973 1.602 1.00 0.00 C ATOM 0 H VAL A 85 4.569 -3.214 -0.263 1.00 0.00 H new ATOM 0 HA VAL A 85 3.385 -2.850 2.376 1.00 0.00 H new ATOM 0 HB VAL A 85 5.368 -1.088 1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.351 -0.929 3.313 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.645 -0.423 3.265 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.080 -2.026 3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.226 -2.570 1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.016 -3.782 2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.213 -3.356 0.582 1.00 0.00 H new ATOM 1278 N ILE A 86 1.977 -0.711 1.922 1.00 0.00 N ATOM 1279 CA ILE A 86 1.091 0.415 1.647 1.00 0.00 C ATOM 1280 C ILE A 86 1.264 1.436 2.749 1.00 0.00 C ATOM 1281 O ILE A 86 0.613 1.354 3.786 1.00 0.00 O ATOM 1282 CB ILE A 86 -0.371 -0.068 1.531 1.00 0.00 C ATOM 1283 CG1 ILE A 86 -0.603 -0.911 0.264 1.00 0.00 C ATOM 1284 CG2 ILE A 86 -1.360 1.113 1.535 1.00 0.00 C ATOM 1285 CD1 ILE A 86 -0.442 -0.095 -1.026 1.00 0.00 C ATOM 0 H ILE A 86 1.864 -1.090 2.862 1.00 0.00 H new ATOM 0 HA ILE A 86 1.346 0.878 0.694 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.552 -0.692 2.406 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.100 -1.744 0.253 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.605 -1.340 0.296 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.379 0.735 1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.255 1.672 2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.147 1.769 0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.617 -0.739 -1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.163 0.722 -1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.568 0.312 -1.076 1.00 0.00 H new ATOM 1297 N ARG A 87 2.117 2.428 2.533 1.00 0.00 N ATOM 1298 CA ARG A 87 2.317 3.485 3.511 1.00 0.00 C ATOM 1299 C ARG A 87 1.327 4.575 3.137 1.00 0.00 C ATOM 1300 O ARG A 87 1.689 5.486 2.406 1.00 0.00 O ATOM 1301 CB ARG A 87 3.788 3.918 3.456 1.00 0.00 C ATOM 1302 CG ARG A 87 4.201 4.980 4.484 1.00 0.00 C ATOM 1303 CD ARG A 87 5.645 5.434 4.205 1.00 0.00 C ATOM 1304 NE ARG A 87 6.290 6.021 5.391 1.00 0.00 N ATOM 1305 CZ ARG A 87 7.612 6.165 5.561 1.00 0.00 C ATOM 1306 NH1 ARG A 87 8.445 6.037 4.533 1.00 0.00 N ATOM 1307 NH2 ARG A 87 8.093 6.419 6.768 1.00 0.00 N ATOM 0 H ARG A 87 2.681 2.522 1.688 1.00 0.00 H new ATOM 0 HA ARG A 87 2.134 3.190 4.544 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.414 3.037 3.598 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.999 4.302 2.458 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.524 5.833 4.433 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.125 4.573 5.492 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.231 4.581 3.861 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.643 6.166 3.397 1.00 0.00 H new ATOM 0 HE ARG A 87 5.682 6.344 6.144 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.080 5.827 3.604 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.449 6.149 4.673 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.459 6.504 7.562 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.098 6.530 6.904 1.00 0.00 H new ATOM 1321 N ARG A 88 0.067 4.483 3.557 1.00 0.00 N ATOM 1322 CA ARG A 88 -0.873 5.587 3.416 1.00 0.00 C ATOM 1323 C ARG A 88 -0.529 6.542 4.550 1.00 0.00 C ATOM 1324 O ARG A 88 -0.901 6.260 5.686 1.00 0.00 O ATOM 1325 CB ARG A 88 -2.321 5.050 3.450 1.00 0.00 C ATOM 1326 CG ARG A 88 -3.424 6.117 3.596 1.00 0.00 C ATOM 1327 CD ARG A 88 -3.382 7.159 2.475 1.00 0.00 C ATOM 1328 NE ARG A 88 -4.443 8.171 2.622 1.00 0.00 N ATOM 1329 CZ ARG A 88 -4.429 9.407 2.099 1.00 0.00 C ATOM 1330 NH1 ARG A 88 -3.316 9.924 1.599 1.00 0.00 N ATOM 1331 NH2 ARG A 88 -5.528 10.145 2.029 1.00 0.00 N ATOM 0 H ARG A 88 -0.325 3.651 3.999 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.800 6.114 2.464 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.503 4.488 2.534 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.409 4.346 4.278 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.399 5.629 3.598 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.316 6.618 4.558 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.409 7.651 2.474 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.488 6.660 1.512 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.262 7.909 3.171 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.453 9.381 1.608 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.323 10.865 1.205 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -6.413 9.776 2.378 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.489 11.081 1.627 1.00 0.00 H new ATOM 1345 N GLY A 89 0.228 7.608 4.283 1.00 0.00 N ATOM 1346 CA GLY A 89 0.555 8.640 5.259 1.00 0.00 C ATOM 1347 C GLY A 89 -0.713 9.203 5.899 1.00 0.00 C ATOM 1348 O GLY A 89 -1.808 9.067 5.348 1.00 0.00 O ATOM 0 H GLY A 89 0.637 7.778 3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.204 8.225 6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.110 9.443 4.774 1.00 0.00 H new ATOM 1352 N LYS A 90 -0.571 9.830 7.072 1.00 0.00 N ATOM 1353 CA LYS A 90 -1.629 10.165 8.033 1.00 0.00 C ATOM 1354 C LYS A 90 -2.120 8.891 8.724 1.00 0.00 C ATOM 1355 O LYS A 90 -2.214 8.871 9.952 1.00 0.00 O ATOM 1356 CB LYS A 90 -2.754 11.003 7.394 1.00 0.00 C ATOM 1357 CG LYS A 90 -3.685 11.649 8.429 1.00 0.00 C ATOM 1358 CD LYS A 90 -4.785 12.441 7.706 1.00 0.00 C ATOM 1359 CE LYS A 90 -5.754 13.073 8.713 1.00 0.00 C ATOM 1360 NZ LYS A 90 -6.858 13.793 8.036 1.00 0.00 N ATOM 0 H LYS A 90 0.346 10.137 7.397 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.216 10.813 8.806 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.311 11.783 6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.342 10.367 6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.131 10.882 9.062 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.116 12.310 9.083 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.334 13.220 7.091 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.332 11.781 7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.167 12.296 9.357 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.210 13.764 9.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.492 14.206 8.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.465 14.550 7.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.393 13.128 7.441 1.00 0.00 H new ATOM 1374 N LYS A 91 -2.419 7.832 7.967 1.00 0.00 N ATOM 1375 CA LYS A 91 -2.568 6.481 8.496 1.00 0.00 C ATOM 1376 C LYS A 91 -1.177 5.819 8.475 1.00 0.00 C ATOM 1377 O LYS A 91 -0.152 6.514 8.554 1.00 0.00 O ATOM 1378 CB LYS A 91 -3.691 5.753 7.733 1.00 0.00 C ATOM 1379 CG LYS A 91 -4.354 4.603 8.513 1.00 0.00 C ATOM 1380 CD LYS A 91 -5.148 5.010 9.764 1.00 0.00 C ATOM 1381 CE LYS A 91 -5.693 3.737 10.425 1.00 0.00 C ATOM 1382 NZ LYS A 91 -6.684 4.021 11.479 1.00 0.00 N ATOM 0 H LYS A 91 -2.565 7.893 6.959 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.897 6.452 9.535 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.457 6.479 7.461 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.283 5.356 6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.025 4.071 7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.578 3.898 8.812 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.509 5.555 10.459 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.966 5.677 9.494 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.150 3.105 9.664 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.865 3.172 10.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.018 3.127 11.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.244 4.601 12.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.489 4.536 11.069 1.00 0.00 H new ATOM 1396 N LYS A 92 -1.099 4.487 8.390 1.00 0.00 N ATOM 1397 CA LYS A 92 0.107 3.708 8.612 1.00 0.00 C ATOM 1398 C LYS A 92 0.473 2.892 7.358 1.00 0.00 C ATOM 1399 O LYS A 92 0.137 3.261 6.219 1.00 0.00 O ATOM 1400 CB LYS A 92 -0.072 2.887 9.915 1.00 0.00 C ATOM 1401 CG LYS A 92 1.185 2.928 10.802 1.00 0.00 C ATOM 1402 CD LYS A 92 1.364 4.250 11.570 1.00 0.00 C ATOM 1403 CE LYS A 92 0.414 4.412 12.764 1.00 0.00 C ATOM 1404 NZ LYS A 92 0.711 3.473 13.868 1.00 0.00 N ATOM 0 H LYS A 92 -1.906 3.909 8.156 1.00 0.00 H new ATOM 0 HA LYS A 92 0.975 4.349 8.767 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.923 3.276 10.474 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -0.303 1.852 9.662 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.140 2.107 11.517 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.063 2.760 10.179 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.392 4.315 11.926 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.211 5.081 10.882 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.478 5.434 13.136 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.612 4.258 12.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.094 3.684 14.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.542 2.498 13.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.706 3.576 14.154 1.00 0.00 H new ATOM 1418 N TYR A 93 1.250 1.843 7.609 1.00 0.00 N ATOM 1419 CA TYR A 93 1.761 0.862 6.670 1.00 0.00 C ATOM 1420 C TYR A 93 0.815 -0.334 6.681 1.00 0.00 C ATOM 1421 O TYR A 93 0.945 -1.214 7.521 1.00 0.00 O ATOM 1422 CB TYR A 93 3.172 0.395 7.046 1.00 0.00 C ATOM 1423 CG TYR A 93 4.140 1.479 7.466 1.00 0.00 C ATOM 1424 CD1 TYR A 93 4.212 1.853 8.821 1.00 0.00 C ATOM 1425 CD2 TYR A 93 5.002 2.072 6.529 1.00 0.00 C ATOM 1426 CE1 TYR A 93 5.057 2.896 9.226 1.00 0.00 C ATOM 1427 CE2 TYR A 93 5.892 3.077 6.938 1.00 0.00 C ATOM 1428 CZ TYR A 93 5.894 3.521 8.277 1.00 0.00 C ATOM 1429 OH TYR A 93 6.645 4.595 8.629 1.00 0.00 O ATOM 0 H TYR A 93 1.563 1.644 8.559 1.00 0.00 H new ATOM 0 HA TYR A 93 1.818 1.316 5.681 1.00 0.00 H new ATOM 0 HB2 TYR A 93 3.090 -0.326 7.859 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.597 -0.134 6.193 1.00 0.00 H new ATOM 0 HD1 TYR A 93 3.612 1.333 9.554 1.00 0.00 H new ATOM 0 HD2 TYR A 93 4.980 1.755 5.497 1.00 0.00 H new ATOM 0 HE1 TYR A 93 5.067 3.219 10.257 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.577 3.512 6.226 1.00 0.00 H new ATOM 0 HH TYR A 93 7.572 4.453 8.346 1.00 0.00 H new ATOM 1439 N TYR A 94 -0.159 -0.396 5.791 1.00 0.00 N ATOM 1440 CA TYR A 94 -0.892 -1.627 5.632 1.00 0.00 C ATOM 1441 C TYR A 94 -0.040 -2.570 4.800 1.00 0.00 C ATOM 1442 O TYR A 94 0.935 -2.170 4.153 1.00 0.00 O ATOM 1443 CB TYR A 94 -2.205 -1.302 4.955 1.00 0.00 C ATOM 1444 CG TYR A 94 -3.179 -0.624 5.889 1.00 0.00 C ATOM 1445 CD1 TYR A 94 -3.164 0.775 6.029 1.00 0.00 C ATOM 1446 CD2 TYR A 94 -4.107 -1.396 6.606 1.00 0.00 C ATOM 1447 CE1 TYR A 94 -4.116 1.401 6.844 1.00 0.00 C ATOM 1448 CE2 TYR A 94 -5.046 -0.777 7.445 1.00 0.00 C ATOM 1449 CZ TYR A 94 -5.061 0.630 7.559 1.00 0.00 C ATOM 1450 OH TYR A 94 -5.994 1.249 8.332 1.00 0.00 O ATOM 0 H TYR A 94 -0.451 0.371 5.185 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.109 -2.109 6.585 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.019 -0.656 4.097 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.651 -2.220 4.572 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.422 1.364 5.511 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.098 -2.472 6.511 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.128 2.478 6.927 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.754 -1.374 8.001 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.568 0.576 8.754 1.00 0.00 H new ATOM 1460 N LEU A 95 -0.433 -3.834 4.832 1.00 0.00 N ATOM 1461 CA LEU A 95 0.315 -4.929 4.250 1.00 0.00 C ATOM 1462 C LEU A 95 -0.684 -5.751 3.457 1.00 0.00 C ATOM 1463 O LEU A 95 -1.730 -6.162 3.967 1.00 0.00 O ATOM 1464 CB LEU A 95 1.025 -5.738 5.338 1.00 0.00 C ATOM 1465 CG LEU A 95 2.233 -6.594 4.903 1.00 0.00 C ATOM 1466 CD1 LEU A 95 2.782 -7.365 6.107 1.00 0.00 C ATOM 1467 CD2 LEU A 95 1.922 -7.609 3.804 1.00 0.00 C ATOM 0 H LEU A 95 -1.303 -4.130 5.275 1.00 0.00 H new ATOM 0 HA LEU A 95 1.109 -4.578 3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.362 -5.045 6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.292 -6.398 5.801 1.00 0.00 H new ATOM 0 HG LEU A 95 2.958 -5.886 4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.635 -7.968 5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.098 -6.661 6.877 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.005 -8.016 6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.825 -8.168 3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.153 -8.298 4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.566 -7.086 2.916 1.00 0.00 H new ATOM 1479 N ILE A 96 -0.398 -5.930 2.185 1.00 0.00 N ATOM 1480 CA ILE A 96 -1.276 -6.615 1.246 1.00 0.00 C ATOM 1481 C ILE A 96 -0.534 -7.857 0.776 1.00 0.00 C ATOM 1482 O ILE A 96 0.628 -7.746 0.395 1.00 0.00 O ATOM 1483 CB ILE A 96 -1.614 -5.681 0.062 1.00 0.00 C ATOM 1484 CG1 ILE A 96 -2.116 -4.279 0.502 1.00 0.00 C ATOM 1485 CG2 ILE A 96 -2.591 -6.364 -0.916 1.00 0.00 C ATOM 1486 CD1 ILE A 96 -3.487 -4.264 1.177 1.00 0.00 C ATOM 0 H ILE A 96 0.468 -5.598 1.761 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.221 -6.895 1.712 1.00 0.00 H new ATOM 0 HB ILE A 96 -0.677 -5.498 -0.465 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.386 -3.847 1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.152 -3.632 -0.374 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.813 -5.687 -1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.137 -7.275 -1.307 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.514 -6.614 -0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.749 -3.241 1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.235 -4.661 0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.457 -4.880 2.076 1.00 0.00 H new ATOM 1498 N ARG A 97 -1.179 -9.022 0.769 1.00 0.00 N ATOM 1499 CA ARG A 97 -0.660 -10.236 0.179 1.00 0.00 C ATOM 1500 C ARG A 97 -1.735 -10.973 -0.624 1.00 0.00 C ATOM 1501 O ARG A 97 -2.902 -10.561 -0.704 1.00 0.00 O ATOM 1502 CB ARG A 97 -0.067 -11.088 1.307 1.00 0.00 C ATOM 1503 CG ARG A 97 -0.986 -11.369 2.502 1.00 0.00 C ATOM 1504 CD ARG A 97 -0.440 -12.528 3.333 1.00 0.00 C ATOM 1505 NE ARG A 97 -1.469 -13.042 4.251 1.00 0.00 N ATOM 1506 CZ ARG A 97 -1.924 -14.300 4.304 1.00 0.00 C ATOM 1507 NH1 ARG A 97 -1.300 -15.300 3.690 1.00 0.00 N ATOM 1508 NH2 ARG A 97 -3.039 -14.529 4.975 1.00 0.00 N ATOM 0 H ARG A 97 -2.102 -9.142 1.187 1.00 0.00 H new ATOM 0 HA ARG A 97 0.125 -10.006 -0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.247 -12.043 0.885 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.831 -10.591 1.675 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -1.070 -10.476 3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.989 -11.607 2.149 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.103 -13.327 2.673 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.429 -12.196 3.902 1.00 0.00 H new ATOM 0 HE ARG A 97 -1.874 -12.377 4.909 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.448 -15.120 3.159 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -1.673 -16.247 3.750 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -3.526 -13.759 5.433 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -3.413 -15.476 5.035 1.00 0.00 H new ATOM 1522 N TYR A 98 -1.347 -12.102 -1.205 1.00 0.00 N ATOM 1523 CA TYR A 98 -2.255 -13.076 -1.740 1.00 0.00 C ATOM 1524 C TYR A 98 -2.111 -14.420 -1.028 1.00 0.00 C ATOM 1525 O TYR A 98 -1.150 -14.641 -0.290 1.00 0.00 O ATOM 1526 CB TYR A 98 -2.092 -13.188 -3.255 1.00 0.00 C ATOM 1527 CG TYR A 98 -0.732 -13.011 -3.900 1.00 0.00 C ATOM 1528 CD1 TYR A 98 0.428 -13.617 -3.369 1.00 0.00 C ATOM 1529 CD2 TYR A 98 -0.671 -12.350 -5.142 1.00 0.00 C ATOM 1530 CE1 TYR A 98 1.633 -13.598 -4.096 1.00 0.00 C ATOM 1531 CE2 TYR A 98 0.525 -12.342 -5.867 1.00 0.00 C ATOM 1532 CZ TYR A 98 1.666 -12.995 -5.370 1.00 0.00 C ATOM 1533 OH TYR A 98 2.775 -13.063 -6.144 1.00 0.00 O ATOM 0 H TYR A 98 -0.366 -12.360 -1.313 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.275 -12.740 -1.553 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.460 -14.172 -3.546 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.759 -12.453 -3.705 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.390 -14.096 -2.402 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.545 -11.851 -5.533 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.526 -14.042 -3.681 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.572 -11.830 -6.817 1.00 0.00 H new ATOM 0 HH TYR A 98 3.442 -13.635 -5.710 1.00 0.00 H new ATOM 1543 N ALA A 99 -3.110 -15.281 -1.238 1.00 0.00 N ATOM 1544 CA ALA A 99 -3.296 -16.604 -0.667 1.00 0.00 C ATOM 1545 C ALA A 99 -2.215 -17.556 -1.184 1.00 0.00 C ATOM 1546 O ALA A 99 -2.452 -18.349 -2.102 1.00 0.00 O ATOM 1547 CB ALA A 99 -4.715 -17.079 -1.019 1.00 0.00 C ATOM 0 H ALA A 99 -3.874 -15.042 -1.870 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.196 -16.581 0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.880 -18.072 -0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.445 -16.384 -0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.827 -17.118 -2.102 1.00 0.00 H new