USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 411 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 23 GLN : amide:sc= -0.114 X(o=-0.21,f=-0.13) USER MOD Set 1.2: A 58 LYS NZ :NH3+ -117:sc= -0.101 (180deg=0) USER MOD Set 2.1: A 14 TYR OH : rot 111:sc= 0.39 USER MOD Set 2.2: A 50 GLN : amide:sc= 0 X(o=0.39,f=0.49) USER MOD Single : A 12 THR OG1 : rot 34:sc= 0.105 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -6.75! C(o=-6.7!,f=-9.6!) USER MOD Single : A 27 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.53) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -122:sc= 1.18 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot -15:sc= -2.39! USER MOD Single : A 43 SER OG : rot 88:sc= 0.829 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 150 N THR A 12 -0.780 12.149 -5.226 1.00 0.00 N ATOM 151 CA THR A 12 -0.015 10.982 -4.808 1.00 0.00 C ATOM 152 C THR A 12 -0.380 9.757 -5.639 1.00 0.00 C ATOM 153 O THR A 12 -1.453 9.702 -6.241 1.00 0.00 O ATOM 154 CB THR A 12 -0.244 10.664 -3.318 1.00 0.00 C ATOM 155 OG1 THR A 12 0.047 11.816 -2.520 1.00 0.00 O ATOM 156 CG2 THR A 12 0.628 9.499 -2.873 1.00 0.00 C ATOM 0 HA THR A 12 1.037 11.222 -4.964 1.00 0.00 H new ATOM 0 HB THR A 12 -1.290 10.386 -3.186 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.193 12.627 -3.016 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.449 9.293 -1.818 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.383 8.615 -3.462 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.678 9.753 -3.020 1.00 0.00 H new ATOM 164 N ILE A 13 0.518 8.778 -5.668 1.00 0.00 N ATOM 165 CA ILE A 13 0.288 7.554 -6.425 1.00 0.00 C ATOM 166 C ILE A 13 -1.068 6.944 -6.086 1.00 0.00 C ATOM 167 O ILE A 13 -1.592 6.117 -6.832 1.00 0.00 O ATOM 168 CB ILE A 13 1.389 6.511 -6.156 1.00 0.00 C ATOM 169 CG1 ILE A 13 2.766 7.096 -6.476 1.00 0.00 C ATOM 170 CG2 ILE A 13 1.139 5.253 -6.975 1.00 0.00 C ATOM 171 CD1 ILE A 13 3.907 6.348 -5.824 1.00 0.00 C ATOM 0 H ILE A 13 1.411 8.809 -5.176 1.00 0.00 H new ATOM 0 HA ILE A 13 0.307 7.827 -7.480 1.00 0.00 H new ATOM 0 HB ILE A 13 1.365 6.244 -5.099 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.911 7.093 -7.556 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.793 8.137 -6.154 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.926 4.526 -6.774 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.173 4.828 -6.703 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.139 5.503 -8.036 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.852 6.818 -6.095 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.787 6.373 -4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.906 5.313 -6.166 1.00 0.00 H new ATOM 183 N TYR A 14 -1.631 7.359 -4.957 1.00 0.00 N ATOM 184 CA TYR A 14 -2.926 6.854 -4.518 1.00 0.00 C ATOM 185 C TYR A 14 -3.775 7.974 -3.923 1.00 0.00 C ATOM 186 O TYR A 14 -3.252 8.911 -3.321 1.00 0.00 O ATOM 187 CB TYR A 14 -2.740 5.738 -3.489 1.00 0.00 C ATOM 188 CG TYR A 14 -2.341 4.413 -4.098 1.00 0.00 C ATOM 189 CD1 TYR A 14 -1.046 4.196 -4.552 1.00 0.00 C ATOM 190 CD2 TYR A 14 -3.260 3.377 -4.219 1.00 0.00 C ATOM 191 CE1 TYR A 14 -0.678 2.987 -5.110 1.00 0.00 C ATOM 192 CE2 TYR A 14 -2.901 2.165 -4.775 1.00 0.00 C ATOM 193 CZ TYR A 14 -1.609 1.974 -5.219 1.00 0.00 C ATOM 194 OH TYR A 14 -1.246 0.768 -5.773 1.00 0.00 O ATOM 0 H TYR A 14 -1.211 8.044 -4.329 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.445 6.453 -5.389 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.979 6.042 -2.770 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.669 5.608 -2.934 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.314 4.986 -4.467 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.272 3.523 -3.872 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.333 2.835 -5.459 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.628 1.371 -4.862 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.244 0.076 -5.079 1.00 0.00 H new ATOM 204 N SER A 15 -5.088 7.868 -4.096 1.00 0.00 N ATOM 205 CA SER A 15 -6.011 8.872 -3.580 1.00 0.00 C ATOM 206 C SER A 15 -6.075 8.818 -2.056 1.00 0.00 C ATOM 207 O SER A 15 -5.813 7.779 -1.449 1.00 0.00 O ATOM 208 CB SER A 15 -7.408 8.663 -4.168 1.00 0.00 C ATOM 209 OG SER A 15 -8.195 9.834 -4.042 1.00 0.00 O ATOM 0 H SER A 15 -5.537 7.097 -4.590 1.00 0.00 H new ATOM 0 HA SER A 15 -5.643 9.854 -3.877 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.326 8.388 -5.219 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.900 7.834 -3.659 1.00 0.00 H new ATOM 0 HG SER A 15 -9.082 9.675 -4.427 1.00 0.00 H new ATOM 215 N SER A 16 -6.426 9.945 -1.445 1.00 0.00 N ATOM 216 CA SER A 16 -6.522 10.028 0.008 1.00 0.00 C ATOM 217 C SER A 16 -7.475 8.968 0.552 1.00 0.00 C ATOM 218 O SER A 16 -7.247 8.402 1.621 1.00 0.00 O ATOM 219 CB SER A 16 -6.995 11.420 0.430 1.00 0.00 C ATOM 220 OG SER A 16 -8.285 11.699 -0.087 1.00 0.00 O ATOM 0 H SER A 16 -6.648 10.813 -1.933 1.00 0.00 H new ATOM 0 HA SER A 16 -5.531 9.847 0.423 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.013 11.487 1.518 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.288 12.170 0.076 1.00 0.00 H new ATOM 0 HG SER A 16 -8.565 12.594 0.198 1.00 0.00 H new ATOM 226 N PHE A 17 -8.544 8.705 -0.193 1.00 0.00 N ATOM 227 CA PHE A 17 -9.533 7.714 0.213 1.00 0.00 C ATOM 228 C PHE A 17 -8.934 6.310 0.202 1.00 0.00 C ATOM 229 O PHE A 17 -9.063 5.562 1.171 1.00 0.00 O ATOM 230 CB PHE A 17 -10.750 7.768 -0.712 1.00 0.00 C ATOM 231 CG PHE A 17 -11.614 6.541 -0.639 1.00 0.00 C ATOM 232 CD1 PHE A 17 -12.628 6.447 0.300 1.00 0.00 C ATOM 233 CD2 PHE A 17 -11.412 5.483 -1.511 1.00 0.00 C ATOM 234 CE1 PHE A 17 -13.423 5.319 0.370 1.00 0.00 C ATOM 235 CE2 PHE A 17 -12.205 4.353 -1.446 1.00 0.00 C ATOM 236 CZ PHE A 17 -13.213 4.271 -0.505 1.00 0.00 C ATOM 0 H PHE A 17 -8.747 9.164 -1.081 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.847 7.948 1.230 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.351 8.641 -0.458 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.410 7.903 -1.739 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.799 7.264 0.985 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -10.626 5.542 -2.250 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -14.208 5.257 1.109 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.037 3.535 -2.130 1.00 0.00 H new ATOM 0 HZ PHE A 17 -13.835 3.390 -0.454 1.00 0.00 H new ATOM 246 N GLN A 18 -8.279 5.962 -0.901 1.00 0.00 N ATOM 247 CA GLN A 18 -7.661 4.649 -1.039 1.00 0.00 C ATOM 248 C GLN A 18 -6.530 4.471 -0.032 1.00 0.00 C ATOM 249 O GLN A 18 -6.314 3.375 0.488 1.00 0.00 O ATOM 250 CB GLN A 18 -7.129 4.459 -2.460 1.00 0.00 C ATOM 251 CG GLN A 18 -8.222 4.276 -3.500 1.00 0.00 C ATOM 252 CD GLN A 18 -7.672 3.946 -4.874 1.00 0.00 C ATOM 253 OE1 GLN A 18 -6.458 3.914 -5.078 1.00 0.00 O ATOM 254 NE2 GLN A 18 -8.565 3.699 -5.825 1.00 0.00 N ATOM 0 H GLN A 18 -8.163 6.571 -1.711 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.422 3.895 -0.840 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.523 5.324 -2.731 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.471 3.590 -2.480 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.892 3.478 -3.180 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.817 5.187 -3.560 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.562 3.737 -5.611 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -8.254 3.472 -6.770 1.00 0.00 H new ATOM 263 N LEU A 19 -5.810 5.554 0.240 1.00 0.00 N ATOM 264 CA LEU A 19 -4.700 5.518 1.185 1.00 0.00 C ATOM 265 C LEU A 19 -5.208 5.387 2.617 1.00 0.00 C ATOM 266 O LEU A 19 -4.814 4.476 3.345 1.00 0.00 O ATOM 267 CB LEU A 19 -3.846 6.780 1.048 1.00 0.00 C ATOM 268 CG LEU A 19 -2.753 6.738 -0.020 1.00 0.00 C ATOM 269 CD1 LEU A 19 -1.900 7.996 0.040 1.00 0.00 C ATOM 270 CD2 LEU A 19 -1.889 5.497 0.149 1.00 0.00 C ATOM 0 H LEU A 19 -5.975 6.468 -0.181 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.088 4.646 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.506 7.620 0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.378 6.984 2.011 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.230 6.693 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.127 7.949 -0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.528 8.870 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.432 8.072 1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.117 5.484 -0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.421 5.511 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.510 4.606 0.055 1.00 0.00 H new ATOM 282 N ALA A 20 -6.087 6.302 3.014 1.00 0.00 N ATOM 283 CA ALA A 20 -6.652 6.286 4.357 1.00 0.00 C ATOM 284 C ALA A 20 -6.890 4.858 4.836 1.00 0.00 C ATOM 285 O ALA A 20 -6.547 4.507 5.965 1.00 0.00 O ATOM 286 CB ALA A 20 -7.950 7.079 4.393 1.00 0.00 C ATOM 0 H ALA A 20 -6.423 7.063 2.424 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.934 6.753 5.031 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.361 7.059 5.402 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.754 8.111 4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.666 6.636 3.701 1.00 0.00 H new ATOM 292 N ALA A 21 -7.478 4.038 3.971 1.00 0.00 N ATOM 293 CA ALA A 21 -7.760 2.648 4.306 1.00 0.00 C ATOM 294 C ALA A 21 -6.492 1.803 4.254 1.00 0.00 C ATOM 295 O ALA A 21 -6.185 1.067 5.193 1.00 0.00 O ATOM 296 CB ALA A 21 -8.813 2.081 3.364 1.00 0.00 C ATOM 0 H ALA A 21 -7.768 4.313 3.033 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.145 2.617 5.325 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.014 1.042 3.626 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.731 2.662 3.453 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.449 2.133 2.338 1.00 0.00 H new ATOM 302 N LEU A 22 -5.758 1.912 3.152 1.00 0.00 N ATOM 303 CA LEU A 22 -4.522 1.157 2.977 1.00 0.00 C ATOM 304 C LEU A 22 -3.616 1.308 4.194 1.00 0.00 C ATOM 305 O LEU A 22 -3.263 0.322 4.842 1.00 0.00 O ATOM 306 CB LEU A 22 -3.788 1.626 1.719 1.00 0.00 C ATOM 307 CG LEU A 22 -4.377 1.162 0.387 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.755 1.931 -0.768 1.00 0.00 C ATOM 309 CD2 LEU A 22 -4.172 -0.335 0.205 1.00 0.00 C ATOM 0 H LEU A 22 -5.997 2.516 2.366 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.781 0.104 2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.763 2.716 1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.755 1.283 1.776 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.448 1.363 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.186 1.587 -1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.954 2.996 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.678 1.762 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.598 -0.647 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.106 -0.560 0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.666 -0.871 1.016 1.00 0.00 H new ATOM 321 N GLN A 23 -3.245 2.547 4.500 1.00 0.00 N ATOM 322 CA GLN A 23 -2.381 2.825 5.641 1.00 0.00 C ATOM 323 C GLN A 23 -3.002 2.306 6.934 1.00 0.00 C ATOM 324 O GLN A 23 -2.306 1.770 7.796 1.00 0.00 O ATOM 325 CB GLN A 23 -2.119 4.328 5.755 1.00 0.00 C ATOM 326 CG GLN A 23 -1.078 4.840 4.772 1.00 0.00 C ATOM 327 CD GLN A 23 -0.698 6.285 5.026 1.00 0.00 C ATOM 328 OE1 GLN A 23 -1.554 7.126 5.302 1.00 0.00 O ATOM 329 NE2 GLN A 23 0.593 6.583 4.933 1.00 0.00 N ATOM 0 H GLN A 23 -3.529 3.374 3.974 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.434 2.309 5.482 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.054 4.865 5.594 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.792 4.556 6.769 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.186 4.217 4.836 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.463 4.742 3.757 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.269 5.855 4.702 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.908 7.540 5.093 1.00 0.00 H new ATOM 338 N ARG A 24 -4.315 2.471 7.062 1.00 0.00 N ATOM 339 CA ARG A 24 -5.029 2.020 8.250 1.00 0.00 C ATOM 340 C ARG A 24 -4.961 0.502 8.382 1.00 0.00 C ATOM 341 O ARG A 24 -5.042 -0.039 9.485 1.00 0.00 O ATOM 342 CB ARG A 24 -6.489 2.473 8.196 1.00 0.00 C ATOM 343 CG ARG A 24 -6.729 3.833 8.830 1.00 0.00 C ATOM 344 CD ARG A 24 -8.205 4.061 9.118 1.00 0.00 C ATOM 345 NE ARG A 24 -8.739 3.072 10.050 1.00 0.00 N ATOM 346 CZ ARG A 24 -9.955 3.145 10.581 1.00 0.00 C ATOM 347 NH1 ARG A 24 -10.757 4.155 10.274 1.00 0.00 N ATOM 348 NH2 ARG A 24 -10.370 2.206 11.422 1.00 0.00 N ATOM 0 H ARG A 24 -4.905 2.914 6.358 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.549 2.465 9.122 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.812 2.505 7.156 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.109 1.732 8.700 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.160 3.909 9.757 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.362 4.615 8.166 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.344 5.060 9.531 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.767 4.021 8.185 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.147 2.282 10.307 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.441 4.879 9.629 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.690 4.208 10.683 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.755 1.428 11.661 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.303 2.263 11.829 1.00 0.00 H new ATOM 362 N ARG A 25 -4.812 -0.180 7.251 1.00 0.00 N ATOM 363 CA ARG A 25 -4.735 -1.635 7.240 1.00 0.00 C ATOM 364 C ARG A 25 -3.301 -2.105 7.465 1.00 0.00 C ATOM 365 O ARG A 25 -3.065 -3.123 8.117 1.00 0.00 O ATOM 366 CB ARG A 25 -5.261 -2.186 5.914 1.00 0.00 C ATOM 367 CG ARG A 25 -5.605 -3.665 5.961 1.00 0.00 C ATOM 368 CD ARG A 25 -6.858 -3.920 6.785 1.00 0.00 C ATOM 369 NE ARG A 25 -8.071 -3.536 6.068 1.00 0.00 N ATOM 370 CZ ARG A 25 -9.267 -3.455 6.640 1.00 0.00 C ATOM 371 NH1 ARG A 25 -9.410 -3.729 7.929 1.00 0.00 N ATOM 372 NH2 ARG A 25 -10.324 -3.098 5.921 1.00 0.00 N ATOM 0 H ARG A 25 -4.742 0.253 6.330 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.355 -2.012 8.053 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.149 -1.624 5.624 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.512 -2.021 5.139 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.753 -4.038 4.947 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.769 -4.221 6.386 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.911 -4.977 7.047 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.797 -3.362 7.720 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.996 -3.318 5.074 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.600 -4.003 8.485 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.330 -3.666 8.365 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.218 -2.886 4.929 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.242 -3.036 6.360 1.00 0.00 H new ATOM 386 N PHE A 26 -2.346 -1.358 6.921 1.00 0.00 N ATOM 387 CA PHE A 26 -0.935 -1.698 7.061 1.00 0.00 C ATOM 388 C PHE A 26 -0.541 -1.789 8.532 1.00 0.00 C ATOM 389 O PHE A 26 0.157 -2.716 8.942 1.00 0.00 O ATOM 390 CB PHE A 26 -0.065 -0.659 6.351 1.00 0.00 C ATOM 391 CG PHE A 26 1.408 -0.877 6.546 1.00 0.00 C ATOM 392 CD1 PHE A 26 2.056 -1.929 5.919 1.00 0.00 C ATOM 393 CD2 PHE A 26 2.145 -0.029 7.357 1.00 0.00 C ATOM 394 CE1 PHE A 26 3.411 -2.132 6.096 1.00 0.00 C ATOM 395 CE2 PHE A 26 3.501 -0.227 7.537 1.00 0.00 C ATOM 396 CZ PHE A 26 4.135 -1.280 6.907 1.00 0.00 C ATOM 0 H PHE A 26 -2.524 -0.513 6.379 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.774 -2.672 6.599 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.289 -0.677 5.284 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.329 0.334 6.715 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.495 -2.599 5.284 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.655 0.795 7.854 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.904 -2.956 5.601 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.065 0.442 8.170 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.194 -1.437 7.048 1.00 0.00 H new ATOM 406 N GLN A 27 -0.992 -0.819 9.320 1.00 0.00 N ATOM 407 CA GLN A 27 -0.685 -0.788 10.745 1.00 0.00 C ATOM 408 C GLN A 27 -1.151 -2.068 11.430 1.00 0.00 C ATOM 409 O GLN A 27 -0.385 -2.719 12.142 1.00 0.00 O ATOM 410 CB GLN A 27 -1.344 0.426 11.404 1.00 0.00 C ATOM 411 CG GLN A 27 -0.555 1.713 11.234 1.00 0.00 C ATOM 412 CD GLN A 27 0.817 1.647 11.877 1.00 0.00 C ATOM 413 OE1 GLN A 27 1.804 1.300 11.228 1.00 0.00 O ATOM 414 NE2 GLN A 27 0.885 1.980 13.161 1.00 0.00 N ATOM 0 H GLN A 27 -1.571 -0.044 8.996 1.00 0.00 H new ATOM 0 HA GLN A 27 0.397 -0.711 10.856 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.340 0.562 10.982 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.473 0.226 12.468 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.444 1.929 10.171 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.117 2.539 11.670 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.041 2.262 13.660 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.781 1.954 13.648 1.00 0.00 H new ATOM 423 N LYS A 28 -2.412 -2.425 11.212 1.00 0.00 N ATOM 424 CA LYS A 28 -2.981 -3.629 11.807 1.00 0.00 C ATOM 425 C LYS A 28 -2.105 -4.844 11.521 1.00 0.00 C ATOM 426 O LYS A 28 -1.595 -5.486 12.440 1.00 0.00 O ATOM 427 CB LYS A 28 -4.394 -3.868 11.271 1.00 0.00 C ATOM 428 CG LYS A 28 -5.374 -2.762 11.623 1.00 0.00 C ATOM 429 CD LYS A 28 -6.001 -2.986 12.989 1.00 0.00 C ATOM 430 CE LYS A 28 -5.181 -2.334 14.092 1.00 0.00 C ATOM 431 NZ LYS A 28 -6.020 -1.974 15.268 1.00 0.00 N ATOM 0 H LYS A 28 -3.060 -1.897 10.627 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.028 -3.484 12.886 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.350 -3.971 10.187 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.768 -4.813 11.666 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.859 -1.801 11.611 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.157 -2.714 10.866 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.012 -2.580 12.997 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.086 -4.056 13.181 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.389 -3.014 14.406 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.697 -1.438 13.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.424 -1.532 15.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.761 -1.306 14.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.462 -2.832 15.655 1.00 0.00 H new ATOM 445 N THR A 29 -1.932 -5.155 10.240 1.00 0.00 N ATOM 446 CA THR A 29 -1.117 -6.292 9.832 1.00 0.00 C ATOM 447 C THR A 29 -0.231 -5.937 8.644 1.00 0.00 C ATOM 448 O THR A 29 -0.553 -5.038 7.866 1.00 0.00 O ATOM 449 CB THR A 29 -1.991 -7.505 9.462 1.00 0.00 C ATOM 450 OG1 THR A 29 -1.186 -8.523 8.856 1.00 0.00 O ATOM 451 CG2 THR A 29 -3.105 -7.099 8.510 1.00 0.00 C ATOM 0 H THR A 29 -2.346 -4.634 9.467 1.00 0.00 H new ATOM 0 HA THR A 29 -0.489 -6.552 10.684 1.00 0.00 H new ATOM 0 HB THR A 29 -2.440 -7.894 10.376 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.535 -8.728 7.963 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.709 -7.972 8.263 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.733 -6.346 8.985 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.672 -6.687 7.598 1.00 0.00 H new ATOM 459 N GLN A 30 0.883 -6.648 8.508 1.00 0.00 N ATOM 460 CA GLN A 30 1.815 -6.406 7.413 1.00 0.00 C ATOM 461 C GLN A 30 1.429 -7.218 6.181 1.00 0.00 C ATOM 462 O GLN A 30 1.652 -6.790 5.048 1.00 0.00 O ATOM 463 CB GLN A 30 3.241 -6.755 7.842 1.00 0.00 C ATOM 464 CG GLN A 30 3.888 -5.696 8.721 1.00 0.00 C ATOM 465 CD GLN A 30 5.167 -6.181 9.373 1.00 0.00 C ATOM 466 OE1 GLN A 30 6.248 -6.093 8.789 1.00 0.00 O ATOM 467 NE2 GLN A 30 5.053 -6.697 10.591 1.00 0.00 N ATOM 0 H GLN A 30 1.162 -7.396 9.142 1.00 0.00 H new ATOM 0 HA GLN A 30 1.769 -5.347 7.157 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.228 -7.703 8.379 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.854 -6.901 6.952 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.103 -4.813 8.120 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.183 -5.391 9.495 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.138 -6.751 11.038 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.880 -7.039 11.079 1.00 0.00 H new ATOM 476 N TYR A 31 0.850 -8.391 6.410 1.00 0.00 N ATOM 477 CA TYR A 31 0.435 -9.265 5.318 1.00 0.00 C ATOM 478 C TYR A 31 -1.073 -9.492 5.345 1.00 0.00 C ATOM 479 O TYR A 31 -1.700 -9.457 6.404 1.00 0.00 O ATOM 480 CB TYR A 31 1.166 -10.606 5.405 1.00 0.00 C ATOM 481 CG TYR A 31 2.672 -10.478 5.380 1.00 0.00 C ATOM 482 CD1 TYR A 31 3.340 -10.137 4.210 1.00 0.00 C ATOM 483 CD2 TYR A 31 3.427 -10.698 6.525 1.00 0.00 C ATOM 484 CE1 TYR A 31 4.717 -10.019 4.182 1.00 0.00 C ATOM 485 CE2 TYR A 31 4.803 -10.581 6.507 1.00 0.00 C ATOM 486 CZ TYR A 31 5.443 -10.242 5.333 1.00 0.00 C ATOM 487 OH TYR A 31 6.815 -10.126 5.310 1.00 0.00 O ATOM 0 H TYR A 31 0.657 -8.759 7.341 1.00 0.00 H new ATOM 0 HA TYR A 31 0.694 -8.778 4.378 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.868 -11.114 6.322 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.850 -11.237 4.574 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.774 -9.961 3.307 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.929 -10.965 7.445 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.221 -9.754 3.264 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.375 -10.754 7.407 1.00 0.00 H new ATOM 0 HH TYR A 31 7.127 -10.122 4.381 1.00 0.00 H new ATOM 497 N LEU A 32 -1.650 -9.724 4.171 1.00 0.00 N ATOM 498 CA LEU A 32 -3.086 -9.958 4.057 1.00 0.00 C ATOM 499 C LEU A 32 -3.368 -11.285 3.361 1.00 0.00 C ATOM 500 O LEU A 32 -2.660 -11.672 2.431 1.00 0.00 O ATOM 501 CB LEU A 32 -3.749 -8.814 3.288 1.00 0.00 C ATOM 502 CG LEU A 32 -3.714 -7.442 3.962 1.00 0.00 C ATOM 503 CD1 LEU A 32 -4.205 -6.365 3.007 1.00 0.00 C ATOM 504 CD2 LEU A 32 -4.551 -7.451 5.233 1.00 0.00 C ATOM 0 H LEU A 32 -1.146 -9.755 3.285 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.503 -10.001 5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.267 -8.730 2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.790 -9.081 3.106 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.682 -7.217 4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.173 -5.396 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.565 -6.342 2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.229 -6.585 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.515 -6.467 5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.584 -7.698 4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.155 -8.195 5.924 1.00 0.00 H new ATOM 516 N ALA A 33 -4.407 -11.977 3.816 1.00 0.00 N ATOM 517 CA ALA A 33 -4.785 -13.259 3.234 1.00 0.00 C ATOM 518 C ALA A 33 -5.257 -13.091 1.794 1.00 0.00 C ATOM 519 O ALA A 33 -5.251 -11.984 1.254 1.00 0.00 O ATOM 520 CB ALA A 33 -5.869 -13.920 4.073 1.00 0.00 C ATOM 0 H ALA A 33 -5.002 -11.671 4.586 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.904 -13.901 3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.142 -14.876 3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.497 -14.084 5.084 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.746 -13.273 4.109 1.00 0.00 H new ATOM 526 N LEU A 34 -5.664 -14.194 1.177 1.00 0.00 N ATOM 527 CA LEU A 34 -6.139 -14.169 -0.202 1.00 0.00 C ATOM 528 C LEU A 34 -7.340 -13.240 -0.347 1.00 0.00 C ATOM 529 O LEU A 34 -7.314 -12.263 -1.096 1.00 0.00 O ATOM 530 CB LEU A 34 -6.512 -15.580 -0.660 1.00 0.00 C ATOM 531 CG LEU A 34 -7.673 -15.679 -1.650 1.00 0.00 C ATOM 532 CD1 LEU A 34 -7.276 -15.096 -2.998 1.00 0.00 C ATOM 533 CD2 LEU A 34 -8.121 -17.126 -1.804 1.00 0.00 C ATOM 0 H LEU A 34 -5.675 -15.118 1.610 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.333 -13.791 -0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.633 -16.037 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.760 -16.173 0.221 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.510 -15.100 -1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.115 -15.175 -3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.005 -14.048 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.424 -15.647 -3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.948 -17.177 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.290 -17.727 -2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.447 -17.511 -0.838 1.00 0.00 H new ATOM 545 N PRO A 35 -8.420 -13.550 0.386 1.00 0.00 N ATOM 546 CA PRO A 35 -9.650 -12.754 0.358 1.00 0.00 C ATOM 547 C PRO A 35 -9.473 -11.389 1.016 1.00 0.00 C ATOM 548 O PRO A 35 -10.157 -10.428 0.665 1.00 0.00 O ATOM 549 CB PRO A 35 -10.642 -13.606 1.154 1.00 0.00 C ATOM 550 CG PRO A 35 -9.792 -14.431 2.058 1.00 0.00 C ATOM 551 CD PRO A 35 -8.522 -14.700 1.300 1.00 0.00 C ATOM 0 HA PRO A 35 -9.973 -12.539 -0.661 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.334 -12.983 1.721 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.244 -14.232 0.495 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.586 -13.903 2.989 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.293 -15.362 2.323 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.662 -14.761 1.966 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.571 -15.643 0.755 1.00 0.00 H new ATOM 559 N GLU A 36 -8.551 -11.312 1.970 1.00 0.00 N ATOM 560 CA GLU A 36 -8.285 -10.064 2.676 1.00 0.00 C ATOM 561 C GLU A 36 -7.686 -9.024 1.734 1.00 0.00 C ATOM 562 O GLU A 36 -8.187 -7.904 1.630 1.00 0.00 O ATOM 563 CB GLU A 36 -7.338 -10.309 3.852 1.00 0.00 C ATOM 564 CG GLU A 36 -8.025 -10.890 5.077 1.00 0.00 C ATOM 565 CD GLU A 36 -9.263 -10.109 5.476 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.124 -9.119 6.224 1.00 0.00 O ATOM 567 OE2 GLU A 36 -10.369 -10.489 5.040 1.00 0.00 O ATOM 0 H GLU A 36 -7.976 -12.098 2.272 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.232 -9.682 3.056 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.546 -10.987 3.534 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.861 -9.368 4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.302 -11.925 4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.323 -10.903 5.911 1.00 0.00 H new ATOM 574 N ARG A 37 -6.610 -9.402 1.052 1.00 0.00 N ATOM 575 CA ARG A 37 -5.941 -8.502 0.120 1.00 0.00 C ATOM 576 C ARG A 37 -6.912 -8.001 -0.945 1.00 0.00 C ATOM 577 O ARG A 37 -6.886 -6.830 -1.321 1.00 0.00 O ATOM 578 CB ARG A 37 -4.759 -9.209 -0.545 1.00 0.00 C ATOM 579 CG ARG A 37 -4.185 -8.451 -1.731 1.00 0.00 C ATOM 580 CD ARG A 37 -3.340 -9.356 -2.614 1.00 0.00 C ATOM 581 NE ARG A 37 -3.977 -10.652 -2.838 1.00 0.00 N ATOM 582 CZ ARG A 37 -3.307 -11.754 -3.158 1.00 0.00 C ATOM 583 NH1 ARG A 37 -1.989 -11.717 -3.291 1.00 0.00 N ATOM 584 NH2 ARG A 37 -3.957 -12.895 -3.346 1.00 0.00 N ATOM 0 H ARG A 37 -6.183 -10.325 1.127 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.573 -7.645 0.683 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.973 -9.358 0.195 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.077 -10.198 -0.876 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.997 -8.023 -2.318 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.578 -7.619 -1.373 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.166 -8.867 -3.573 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.365 -9.507 -2.151 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.991 -10.714 -2.744 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.486 -10.841 -3.148 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.477 -12.564 -3.537 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.971 -12.927 -3.245 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.442 -13.741 -3.592 1.00 0.00 H new ATOM 598 N ALA A 38 -7.768 -8.896 -1.426 1.00 0.00 N ATOM 599 CA ALA A 38 -8.748 -8.545 -2.446 1.00 0.00 C ATOM 600 C ALA A 38 -9.723 -7.491 -1.931 1.00 0.00 C ATOM 601 O ALA A 38 -10.018 -6.517 -2.621 1.00 0.00 O ATOM 602 CB ALA A 38 -9.502 -9.785 -2.903 1.00 0.00 C ATOM 0 H ALA A 38 -7.803 -9.870 -1.125 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.214 -8.124 -3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.231 -9.508 -3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.798 -10.506 -3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.018 -10.231 -2.053 1.00 0.00 H new ATOM 608 N GLU A 39 -10.219 -7.695 -0.715 1.00 0.00 N ATOM 609 CA GLU A 39 -11.161 -6.761 -0.109 1.00 0.00 C ATOM 610 C GLU A 39 -10.747 -5.318 -0.379 1.00 0.00 C ATOM 611 O GLU A 39 -11.582 -4.469 -0.693 1.00 0.00 O ATOM 612 CB GLU A 39 -11.255 -7.003 1.399 1.00 0.00 C ATOM 613 CG GLU A 39 -12.034 -8.255 1.767 1.00 0.00 C ATOM 614 CD GLU A 39 -13.525 -8.002 1.883 1.00 0.00 C ATOM 615 OE1 GLU A 39 -13.922 -7.166 2.723 1.00 0.00 O ATOM 616 OE2 GLU A 39 -14.294 -8.639 1.134 1.00 0.00 O ATOM 0 H GLU A 39 -9.985 -8.497 -0.131 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.140 -6.930 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.248 -7.078 1.810 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.728 -6.140 1.868 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.857 -9.023 1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.661 -8.645 2.714 1.00 0.00 H new ATOM 623 N LEU A 40 -9.453 -5.047 -0.254 1.00 0.00 N ATOM 624 CA LEU A 40 -8.926 -3.706 -0.483 1.00 0.00 C ATOM 625 C LEU A 40 -9.032 -3.324 -1.956 1.00 0.00 C ATOM 626 O LEU A 40 -9.355 -2.185 -2.290 1.00 0.00 O ATOM 627 CB LEU A 40 -7.468 -3.624 -0.027 1.00 0.00 C ATOM 628 CG LEU A 40 -7.176 -4.140 1.383 1.00 0.00 C ATOM 629 CD1 LEU A 40 -5.848 -3.596 1.886 1.00 0.00 C ATOM 630 CD2 LEU A 40 -8.303 -3.763 2.333 1.00 0.00 C ATOM 0 H LEU A 40 -8.749 -5.738 0.005 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.522 -3.004 0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.855 -4.186 -0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.148 -2.584 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.109 -5.227 1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.657 -3.974 2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.047 -3.917 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.886 -2.507 1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.078 -4.138 3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.403 -2.678 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.237 -4.202 1.982 1.00 0.00 H new ATOM 642 N ALA A 41 -8.759 -4.286 -2.832 1.00 0.00 N ATOM 643 CA ALA A 41 -8.828 -4.051 -4.269 1.00 0.00 C ATOM 644 C ALA A 41 -10.263 -3.789 -4.715 1.00 0.00 C ATOM 645 O ALA A 41 -10.519 -2.892 -5.518 1.00 0.00 O ATOM 646 CB ALA A 41 -8.247 -5.237 -5.026 1.00 0.00 C ATOM 0 H ALA A 41 -8.488 -5.234 -2.572 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.237 -3.164 -4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.305 -5.048 -6.098 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.205 -5.377 -4.738 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.814 -6.136 -4.785 1.00 0.00 H new ATOM 652 N ALA A 42 -11.194 -4.578 -4.189 1.00 0.00 N ATOM 653 CA ALA A 42 -12.603 -4.430 -4.532 1.00 0.00 C ATOM 654 C ALA A 42 -13.217 -3.226 -3.824 1.00 0.00 C ATOM 655 O ALA A 42 -14.033 -2.506 -4.399 1.00 0.00 O ATOM 656 CB ALA A 42 -13.368 -5.697 -4.181 1.00 0.00 C ATOM 0 H ALA A 42 -10.998 -5.326 -3.524 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.674 -4.262 -5.607 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.419 -5.572 -4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.953 -6.538 -4.737 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.281 -5.890 -3.112 1.00 0.00 H new ATOM 662 N SER A 43 -12.819 -3.015 -2.574 1.00 0.00 N ATOM 663 CA SER A 43 -13.333 -1.900 -1.786 1.00 0.00 C ATOM 664 C SER A 43 -12.732 -0.579 -2.257 1.00 0.00 C ATOM 665 O SER A 43 -13.451 0.326 -2.682 1.00 0.00 O ATOM 666 CB SER A 43 -13.027 -2.113 -0.302 1.00 0.00 C ATOM 667 OG SER A 43 -13.762 -3.207 0.218 1.00 0.00 O ATOM 0 H SER A 43 -12.142 -3.601 -2.085 1.00 0.00 H new ATOM 0 HA SER A 43 -14.413 -1.857 -1.924 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.960 -2.292 -0.169 1.00 0.00 H new ATOM 0 HB3 SER A 43 -13.270 -1.209 0.256 1.00 0.00 H new ATOM 0 HG SER A 43 -13.257 -4.035 0.080 1.00 0.00 H new ATOM 673 N LEU A 44 -11.410 -0.476 -2.177 1.00 0.00 N ATOM 674 CA LEU A 44 -10.711 0.734 -2.595 1.00 0.00 C ATOM 675 C LEU A 44 -10.815 0.930 -4.104 1.00 0.00 C ATOM 676 O LEU A 44 -10.503 2.000 -4.624 1.00 0.00 O ATOM 677 CB LEU A 44 -9.241 0.666 -2.178 1.00 0.00 C ATOM 678 CG LEU A 44 -8.969 0.184 -0.752 1.00 0.00 C ATOM 679 CD1 LEU A 44 -7.476 -0.004 -0.528 1.00 0.00 C ATOM 680 CD2 LEU A 44 -9.543 1.163 0.261 1.00 0.00 C ATOM 0 H LEU A 44 -10.801 -1.215 -1.827 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.183 1.585 -2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.718 0.005 -2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.805 1.658 -2.294 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.461 -0.779 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.301 -0.347 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.093 -0.744 -1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.962 0.945 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.340 0.804 1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.081 2.141 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.620 1.247 0.116 1.00 0.00 H new ATOM 692 N GLY A 45 -11.257 -0.112 -4.802 1.00 0.00 N ATOM 693 CA GLY A 45 -11.397 -0.033 -6.244 1.00 0.00 C ATOM 694 C GLY A 45 -10.094 -0.311 -6.968 1.00 0.00 C ATOM 695 O GLY A 45 -9.951 0.010 -8.149 1.00 0.00 O ATOM 0 H GLY A 45 -11.520 -1.009 -4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.152 -0.748 -6.573 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.757 0.959 -6.517 1.00 0.00 H new ATOM 699 N LEU A 46 -9.141 -0.907 -6.261 1.00 0.00 N ATOM 700 CA LEU A 46 -7.842 -1.226 -6.843 1.00 0.00 C ATOM 701 C LEU A 46 -7.758 -2.705 -7.207 1.00 0.00 C ATOM 702 O LEU A 46 -8.689 -3.472 -6.957 1.00 0.00 O ATOM 703 CB LEU A 46 -6.721 -0.865 -5.867 1.00 0.00 C ATOM 704 CG LEU A 46 -6.780 0.541 -5.268 1.00 0.00 C ATOM 705 CD1 LEU A 46 -6.163 0.555 -3.879 1.00 0.00 C ATOM 706 CD2 LEU A 46 -6.075 1.538 -6.177 1.00 0.00 C ATOM 0 H LEU A 46 -9.243 -1.179 -5.283 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.725 -0.639 -7.754 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.731 -1.587 -5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.767 -0.979 -6.382 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.826 0.835 -5.182 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.214 1.563 -3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.711 -0.129 -3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.121 0.240 -3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.127 2.533 -5.735 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.031 1.247 -6.295 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.562 1.548 -7.152 1.00 0.00 H new ATOM 718 N THR A 47 -6.634 -3.101 -7.798 1.00 0.00 N ATOM 719 CA THR A 47 -6.427 -4.487 -8.195 1.00 0.00 C ATOM 720 C THR A 47 -5.425 -5.179 -7.278 1.00 0.00 C ATOM 721 O THR A 47 -4.653 -4.521 -6.581 1.00 0.00 O ATOM 722 CB THR A 47 -5.929 -4.587 -9.649 1.00 0.00 C ATOM 723 OG1 THR A 47 -6.034 -5.937 -10.112 1.00 0.00 O ATOM 724 CG2 THR A 47 -4.485 -4.118 -9.760 1.00 0.00 C ATOM 0 H THR A 47 -5.853 -2.480 -8.012 1.00 0.00 H new ATOM 0 HA THR A 47 -7.393 -4.985 -8.114 1.00 0.00 H new ATOM 0 HB THR A 47 -6.553 -3.942 -10.268 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.717 -5.991 -11.038 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.155 -4.198 -10.796 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.414 -3.080 -9.435 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.851 -4.740 -9.128 1.00 0.00 H new ATOM 732 N GLN A 48 -5.442 -6.507 -7.285 1.00 0.00 N ATOM 733 CA GLN A 48 -4.533 -7.287 -6.452 1.00 0.00 C ATOM 734 C GLN A 48 -3.081 -6.938 -6.758 1.00 0.00 C ATOM 735 O GLN A 48 -2.200 -7.098 -5.912 1.00 0.00 O ATOM 736 CB GLN A 48 -4.767 -8.783 -6.668 1.00 0.00 C ATOM 737 CG GLN A 48 -6.048 -9.297 -6.029 1.00 0.00 C ATOM 738 CD GLN A 48 -6.440 -10.672 -6.534 1.00 0.00 C ATOM 739 OE1 GLN A 48 -5.634 -11.376 -7.143 1.00 0.00 O ATOM 740 NE2 GLN A 48 -7.684 -11.062 -6.282 1.00 0.00 N ATOM 0 H GLN A 48 -6.074 -7.066 -7.858 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.735 -7.042 -5.409 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.798 -8.987 -7.738 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.921 -9.337 -6.262 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.921 -9.334 -4.947 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.857 -8.595 -6.231 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.319 -10.446 -5.774 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.005 -11.978 -6.597 1.00 0.00 H new ATOM 749 N THR A 49 -2.835 -6.460 -7.974 1.00 0.00 N ATOM 750 CA THR A 49 -1.489 -6.090 -8.393 1.00 0.00 C ATOM 751 C THR A 49 -1.122 -4.697 -7.895 1.00 0.00 C ATOM 752 O THR A 49 0.042 -4.299 -7.939 1.00 0.00 O ATOM 753 CB THR A 49 -1.346 -6.130 -9.926 1.00 0.00 C ATOM 754 OG1 THR A 49 -2.032 -7.271 -10.453 1.00 0.00 O ATOM 755 CG2 THR A 49 0.119 -6.180 -10.332 1.00 0.00 C ATOM 0 H THR A 49 -3.551 -6.320 -8.686 1.00 0.00 H new ATOM 0 HA THR A 49 -0.809 -6.820 -7.954 1.00 0.00 H new ATOM 0 HB THR A 49 -1.788 -5.221 -10.334 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.938 -7.288 -11.428 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.195 -6.208 -11.419 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.631 -5.295 -9.955 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.582 -7.073 -9.913 1.00 0.00 H new ATOM 763 N GLN A 50 -2.122 -3.960 -7.423 1.00 0.00 N ATOM 764 CA GLN A 50 -1.903 -2.610 -6.917 1.00 0.00 C ATOM 765 C GLN A 50 -1.743 -2.616 -5.400 1.00 0.00 C ATOM 766 O GLN A 50 -0.874 -1.936 -4.855 1.00 0.00 O ATOM 767 CB GLN A 50 -3.065 -1.698 -7.315 1.00 0.00 C ATOM 768 CG GLN A 50 -2.993 -1.214 -8.754 1.00 0.00 C ATOM 769 CD GLN A 50 -3.625 0.151 -8.943 1.00 0.00 C ATOM 770 OE1 GLN A 50 -3.243 1.120 -8.287 1.00 0.00 O ATOM 771 NE2 GLN A 50 -4.597 0.235 -9.844 1.00 0.00 N ATOM 0 H GLN A 50 -3.091 -4.275 -7.380 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.983 -2.229 -7.360 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.003 -2.233 -7.167 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.082 -0.834 -6.650 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.950 -1.174 -9.068 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.493 -1.935 -9.401 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.882 -0.594 -10.365 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.058 1.129 -10.015 1.00 0.00 H new ATOM 780 N VAL A 51 -2.587 -3.389 -4.724 1.00 0.00 N ATOM 781 CA VAL A 51 -2.539 -3.484 -3.270 1.00 0.00 C ATOM 782 C VAL A 51 -1.352 -4.324 -2.814 1.00 0.00 C ATOM 783 O VAL A 51 -0.907 -4.221 -1.670 1.00 0.00 O ATOM 784 CB VAL A 51 -3.835 -4.096 -2.705 1.00 0.00 C ATOM 785 CG1 VAL A 51 -3.757 -4.204 -1.189 1.00 0.00 C ATOM 786 CG2 VAL A 51 -5.042 -3.272 -3.128 1.00 0.00 C ATOM 0 H VAL A 51 -3.312 -3.958 -5.160 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.429 -2.469 -2.889 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.950 -5.101 -3.112 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.681 -4.638 -0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.916 -4.840 -0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.618 -3.212 -0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.949 -3.719 -2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.938 -2.254 -2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.105 -3.252 -4.216 1.00 0.00 H new ATOM 796 N LYS A 52 -0.842 -5.157 -3.715 1.00 0.00 N ATOM 797 CA LYS A 52 0.296 -6.015 -3.407 1.00 0.00 C ATOM 798 C LYS A 52 1.590 -5.209 -3.366 1.00 0.00 C ATOM 799 O LYS A 52 2.378 -5.329 -2.428 1.00 0.00 O ATOM 800 CB LYS A 52 0.412 -7.134 -4.444 1.00 0.00 C ATOM 801 CG LYS A 52 -0.359 -8.389 -4.074 1.00 0.00 C ATOM 802 CD LYS A 52 -0.496 -9.330 -5.260 1.00 0.00 C ATOM 803 CE LYS A 52 0.805 -10.065 -5.541 1.00 0.00 C ATOM 804 NZ LYS A 52 0.980 -11.244 -4.647 1.00 0.00 N ATOM 0 H LYS A 52 -1.199 -5.256 -4.665 1.00 0.00 H new ATOM 0 HA LYS A 52 0.132 -6.455 -2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.051 -6.766 -5.405 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.464 -7.389 -4.575 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.150 -8.902 -3.258 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.349 -8.115 -3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.288 -10.052 -5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.793 -8.764 -6.143 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.820 -10.392 -6.581 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.644 -9.382 -5.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.878 -11.718 -4.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.991 -10.929 -3.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.193 -11.908 -4.791 1.00 0.00 H new ATOM 818 N ILE A 53 1.802 -4.387 -4.389 1.00 0.00 N ATOM 819 CA ILE A 53 3.000 -3.559 -4.467 1.00 0.00 C ATOM 820 C ILE A 53 3.003 -2.493 -3.377 1.00 0.00 C ATOM 821 O ILE A 53 4.030 -2.239 -2.746 1.00 0.00 O ATOM 822 CB ILE A 53 3.121 -2.874 -5.841 1.00 0.00 C ATOM 823 CG1 ILE A 53 3.053 -3.913 -6.962 1.00 0.00 C ATOM 824 CG2 ILE A 53 4.417 -2.081 -5.924 1.00 0.00 C ATOM 825 CD1 ILE A 53 2.645 -3.335 -8.299 1.00 0.00 C ATOM 0 H ILE A 53 1.161 -4.277 -5.174 1.00 0.00 H new ATOM 0 HA ILE A 53 3.853 -4.222 -4.325 1.00 0.00 H new ATOM 0 HB ILE A 53 2.286 -2.184 -5.961 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.028 -4.390 -7.064 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.345 -4.693 -6.681 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.489 -1.602 -6.901 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.428 -1.319 -5.145 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.264 -2.753 -5.786 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.618 -4.129 -9.046 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.657 -2.883 -8.214 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.366 -2.576 -8.602 1.00 0.00 H new ATOM 837 N TRP A 54 1.849 -1.873 -3.160 1.00 0.00 N ATOM 838 CA TRP A 54 1.719 -0.834 -2.145 1.00 0.00 C ATOM 839 C TRP A 54 2.170 -1.347 -0.781 1.00 0.00 C ATOM 840 O TRP A 54 2.916 -0.673 -0.070 1.00 0.00 O ATOM 841 CB TRP A 54 0.271 -0.348 -2.066 1.00 0.00 C ATOM 842 CG TRP A 54 0.089 0.831 -1.160 1.00 0.00 C ATOM 843 CD1 TRP A 54 -0.060 2.137 -1.533 1.00 0.00 C ATOM 844 CD2 TRP A 54 0.038 0.813 0.271 1.00 0.00 C ATOM 845 NE1 TRP A 54 -0.200 2.931 -0.420 1.00 0.00 N ATOM 846 CE2 TRP A 54 -0.144 2.142 0.699 1.00 0.00 C ATOM 847 CE3 TRP A 54 0.127 -0.198 1.232 1.00 0.00 C ATOM 848 CZ2 TRP A 54 -0.238 2.485 2.045 1.00 0.00 C ATOM 849 CZ3 TRP A 54 0.034 0.143 2.568 1.00 0.00 C ATOM 850 CH2 TRP A 54 -0.147 1.475 2.965 1.00 0.00 C ATOM 0 H TRP A 54 0.990 -2.071 -3.673 1.00 0.00 H new ATOM 0 HA TRP A 54 2.360 0.000 -2.430 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.071 -0.084 -3.067 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.361 -1.165 -1.718 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.067 2.493 -2.553 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.325 3.943 -0.426 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.266 -1.227 0.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.378 3.511 2.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.102 -0.630 3.319 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.216 1.709 4.017 1.00 0.00 H new ATOM 861 N PHE A 55 1.715 -2.542 -0.423 1.00 0.00 N ATOM 862 CA PHE A 55 2.072 -3.144 0.857 1.00 0.00 C ATOM 863 C PHE A 55 3.548 -3.529 0.883 1.00 0.00 C ATOM 864 O PHE A 55 4.288 -3.127 1.781 1.00 0.00 O ATOM 865 CB PHE A 55 1.207 -4.378 1.123 1.00 0.00 C ATOM 866 CG PHE A 55 -0.064 -4.070 1.863 1.00 0.00 C ATOM 867 CD1 PHE A 55 -1.098 -3.392 1.238 1.00 0.00 C ATOM 868 CD2 PHE A 55 -0.225 -4.460 3.182 1.00 0.00 C ATOM 869 CE1 PHE A 55 -2.268 -3.107 1.916 1.00 0.00 C ATOM 870 CE2 PHE A 55 -1.393 -4.179 3.866 1.00 0.00 C ATOM 871 CZ PHE A 55 -2.416 -3.502 3.231 1.00 0.00 C ATOM 0 H PHE A 55 1.098 -3.113 -1.001 1.00 0.00 H new ATOM 0 HA PHE A 55 1.892 -2.407 1.640 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.959 -4.850 0.172 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.786 -5.101 1.697 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.988 -3.083 0.209 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.572 -4.990 3.682 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.066 -2.576 1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.505 -4.488 4.895 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.330 -3.282 3.762 1.00 0.00 H new ATOM 881 N GLN A 56 3.968 -4.310 -0.106 1.00 0.00 N ATOM 882 CA GLN A 56 5.355 -4.751 -0.196 1.00 0.00 C ATOM 883 C GLN A 56 6.312 -3.584 0.025 1.00 0.00 C ATOM 884 O GLN A 56 7.074 -3.568 0.991 1.00 0.00 O ATOM 885 CB GLN A 56 5.622 -5.393 -1.558 1.00 0.00 C ATOM 886 CG GLN A 56 7.020 -5.973 -1.694 1.00 0.00 C ATOM 887 CD GLN A 56 7.245 -6.647 -3.033 1.00 0.00 C ATOM 888 OE1 GLN A 56 7.249 -5.994 -4.077 1.00 0.00 O ATOM 889 NE2 GLN A 56 7.433 -7.961 -3.011 1.00 0.00 N ATOM 0 H GLN A 56 3.368 -4.651 -0.857 1.00 0.00 H new ATOM 0 HA GLN A 56 5.525 -5.491 0.586 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.892 -6.184 -1.727 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.470 -4.647 -2.338 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.753 -5.177 -1.564 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.189 -6.695 -0.895 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.422 -8.463 -2.123 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.589 -8.469 -3.882 1.00 0.00 H new ATOM 898 N ASN A 57 6.266 -2.609 -0.877 1.00 0.00 N ATOM 899 CA ASN A 57 7.130 -1.438 -0.781 1.00 0.00 C ATOM 900 C ASN A 57 7.066 -0.828 0.616 1.00 0.00 C ATOM 901 O ASN A 57 8.095 -0.534 1.226 1.00 0.00 O ATOM 902 CB ASN A 57 6.728 -0.394 -1.824 1.00 0.00 C ATOM 903 CG ASN A 57 7.416 -0.614 -3.157 1.00 0.00 C ATOM 904 OD1 ASN A 57 8.547 -1.097 -3.212 1.00 0.00 O ATOM 905 ND2 ASN A 57 6.736 -0.258 -4.241 1.00 0.00 N ATOM 0 H ASN A 57 5.640 -2.607 -1.682 1.00 0.00 H new ATOM 0 HA ASN A 57 8.154 -1.757 -0.973 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.648 -0.424 -1.966 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.973 0.601 -1.452 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.149 -0.381 -5.165 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.801 0.139 -4.149 1.00 0.00 H new ATOM 912 N LYS A 58 5.851 -0.639 1.118 1.00 0.00 N ATOM 913 CA LYS A 58 5.650 -0.066 2.444 1.00 0.00 C ATOM 914 C LYS A 58 6.520 -0.772 3.479 1.00 0.00 C ATOM 915 O LYS A 58 7.167 -0.126 4.304 1.00 0.00 O ATOM 916 CB LYS A 58 4.177 -0.165 2.847 1.00 0.00 C ATOM 917 CG LYS A 58 3.730 0.938 3.791 1.00 0.00 C ATOM 918 CD LYS A 58 3.722 2.292 3.103 1.00 0.00 C ATOM 919 CE LYS A 58 2.673 3.216 3.703 1.00 0.00 C ATOM 920 NZ LYS A 58 3.021 4.651 3.506 1.00 0.00 N ATOM 0 H LYS A 58 4.989 -0.875 0.626 1.00 0.00 H new ATOM 0 HA LYS A 58 5.940 0.984 2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.560 -0.135 1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.003 -1.131 3.321 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.732 0.714 4.167 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.395 0.971 4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.706 2.752 3.191 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.526 2.160 2.039 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.705 3.011 3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.573 3.009 4.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.163 5.104 4.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.895 4.723 2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.248 5.130 3.001 1.00 0.00 H new ATOM 934 N ARG A 59 6.532 -2.100 3.429 1.00 0.00 N ATOM 935 CA ARG A 59 7.323 -2.892 4.363 1.00 0.00 C ATOM 936 C ARG A 59 8.794 -2.490 4.307 1.00 0.00 C ATOM 937 O ARG A 59 9.474 -2.441 5.332 1.00 0.00 O ATOM 938 CB ARG A 59 7.178 -4.383 4.049 1.00 0.00 C ATOM 939 CG ARG A 59 5.956 -5.023 4.687 1.00 0.00 C ATOM 940 CD ARG A 59 5.824 -6.486 4.292 1.00 0.00 C ATOM 941 NE ARG A 59 6.678 -7.351 5.101 1.00 0.00 N ATOM 942 CZ ARG A 59 7.952 -7.599 4.817 1.00 0.00 C ATOM 943 NH1 ARG A 59 8.515 -7.051 3.749 1.00 0.00 N ATOM 944 NH2 ARG A 59 8.665 -8.397 5.602 1.00 0.00 N ATOM 0 H ARG A 59 6.003 -2.650 2.752 1.00 0.00 H new ATOM 0 HA ARG A 59 6.950 -2.701 5.369 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.124 -4.515 2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.071 -4.906 4.390 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.026 -4.943 5.772 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.060 -4.481 4.385 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.785 -6.798 4.400 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.084 -6.602 3.240 1.00 0.00 H new ATOM 0 HE ARG A 59 6.275 -7.789 5.929 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.970 -6.437 3.143 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.493 -7.243 3.533 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.235 -8.821 6.424 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.643 -8.587 5.383 1.00 0.00 H new