USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=11 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 14 TYR OH : rot 150:sc= 0.195 USER MOD Set 1.2: A 50 GLN : amide:sc= -0.191 X(o=0.0035,f=0.026) USER MOD Single : A 12 THR OG1 : rot 24:sc= 0.114 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0121 USER MOD Single : A 18 GLN :FLIP amide:sc= -4.97! C(o=-5.9!,f=-5!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 27 GLN : amide:sc= -0.108 K(o=-0.11,f=-2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -117:sc= 0.825 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0368 USER MOD Single : A 48 GLN : amide:sc= -0.145 K(o=-0.14,f=-1.8!) USER MOD Single : A 49 THR OG1 : rot 180:sc=0.000766 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=-0.4) USER MOD Single : A 57 ASN : amide:sc= -1.2 X(o=-1.2,f=-1.7) USER MOD Single : A 58 LYS NZ :NH3+ -119:sc= -0.944 (180deg=-1.95!) USER MOD ----------------------------------------------------------------- ATOM 150 N THR A 12 -0.586 12.168 -4.677 1.00 0.00 N ATOM 151 CA THR A 12 0.205 10.994 -4.329 1.00 0.00 C ATOM 152 C THR A 12 -0.112 9.823 -5.252 1.00 0.00 C ATOM 153 O THR A 12 -1.132 9.823 -5.942 1.00 0.00 O ATOM 154 CB THR A 12 -0.041 10.564 -2.870 1.00 0.00 C ATOM 155 OG1 THR A 12 0.196 11.667 -1.988 1.00 0.00 O ATOM 156 CG2 THR A 12 0.862 9.401 -2.489 1.00 0.00 C ATOM 0 HA THR A 12 1.252 11.272 -4.447 1.00 0.00 H new ATOM 0 HB THR A 12 -1.079 10.243 -2.779 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.093 12.508 -2.481 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.670 9.115 -1.455 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.659 8.553 -3.143 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.905 9.700 -2.595 1.00 0.00 H new ATOM 164 N ILE A 13 0.767 8.827 -5.260 1.00 0.00 N ATOM 165 CA ILE A 13 0.579 7.649 -6.097 1.00 0.00 C ATOM 166 C ILE A 13 -0.779 7.003 -5.841 1.00 0.00 C ATOM 167 O ILE A 13 -1.268 6.218 -6.653 1.00 0.00 O ATOM 168 CB ILE A 13 1.685 6.605 -5.858 1.00 0.00 C ATOM 169 CG1 ILE A 13 3.065 7.239 -6.047 1.00 0.00 C ATOM 170 CG2 ILE A 13 1.507 5.421 -6.795 1.00 0.00 C ATOM 171 CD1 ILE A 13 3.620 7.866 -4.788 1.00 0.00 C ATOM 0 H ILE A 13 1.617 8.812 -4.696 1.00 0.00 H new ATOM 0 HA ILE A 13 0.628 7.987 -7.132 1.00 0.00 H new ATOM 0 HB ILE A 13 1.609 6.245 -4.832 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.760 6.478 -6.401 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.003 8.000 -6.825 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.297 4.692 -6.614 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.537 4.958 -6.616 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.560 5.764 -7.828 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.600 8.295 -4.997 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.946 8.651 -4.445 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.715 7.105 -4.014 1.00 0.00 H new ATOM 183 N TYR A 14 -1.383 7.341 -4.707 1.00 0.00 N ATOM 184 CA TYR A 14 -2.684 6.793 -4.342 1.00 0.00 C ATOM 185 C TYR A 14 -3.594 7.880 -3.778 1.00 0.00 C ATOM 186 O TYR A 14 -3.143 8.769 -3.056 1.00 0.00 O ATOM 187 CB TYR A 14 -2.519 5.669 -3.318 1.00 0.00 C ATOM 188 CG TYR A 14 -2.099 4.351 -3.929 1.00 0.00 C ATOM 189 CD1 TYR A 14 -0.781 4.127 -4.310 1.00 0.00 C ATOM 190 CD2 TYR A 14 -3.019 3.328 -4.124 1.00 0.00 C ATOM 191 CE1 TYR A 14 -0.393 2.925 -4.868 1.00 0.00 C ATOM 192 CE2 TYR A 14 -2.640 2.122 -4.681 1.00 0.00 C ATOM 193 CZ TYR A 14 -1.326 1.926 -5.052 1.00 0.00 C ATOM 194 OH TYR A 14 -0.943 0.726 -5.607 1.00 0.00 O ATOM 0 H TYR A 14 -0.993 7.991 -4.025 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.145 6.389 -5.243 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.778 5.969 -2.577 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.461 5.530 -2.788 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.048 4.907 -4.167 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.049 3.478 -3.835 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.635 2.768 -5.159 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.368 1.337 -4.825 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.509 0.007 -5.255 1.00 0.00 H new ATOM 204 N SER A 15 -4.878 7.801 -4.113 1.00 0.00 N ATOM 205 CA SER A 15 -5.852 8.779 -3.644 1.00 0.00 C ATOM 206 C SER A 15 -5.960 8.751 -2.122 1.00 0.00 C ATOM 207 O SER A 15 -5.943 7.684 -1.507 1.00 0.00 O ATOM 208 CB SER A 15 -7.222 8.506 -4.268 1.00 0.00 C ATOM 209 OG SER A 15 -7.295 9.028 -5.584 1.00 0.00 O ATOM 0 H SER A 15 -5.268 7.070 -4.708 1.00 0.00 H new ATOM 0 HA SER A 15 -5.512 9.769 -3.949 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.409 7.432 -4.288 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.002 8.954 -3.652 1.00 0.00 H new ATOM 0 HG SER A 15 -8.179 8.839 -5.962 1.00 0.00 H new ATOM 215 N SER A 16 -6.071 9.931 -1.521 1.00 0.00 N ATOM 216 CA SER A 16 -6.178 10.043 -0.071 1.00 0.00 C ATOM 217 C SER A 16 -7.161 9.017 0.483 1.00 0.00 C ATOM 218 O SER A 16 -6.939 8.438 1.547 1.00 0.00 O ATOM 219 CB SER A 16 -6.621 11.454 0.321 1.00 0.00 C ATOM 220 OG SER A 16 -7.974 11.680 -0.033 1.00 0.00 O ATOM 0 H SER A 16 -6.089 10.823 -2.015 1.00 0.00 H new ATOM 0 HA SER A 16 -5.195 9.846 0.357 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.495 11.593 1.395 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.985 12.189 -0.173 1.00 0.00 H new ATOM 0 HG SER A 16 -8.234 12.588 0.229 1.00 0.00 H new ATOM 226 N PHE A 17 -8.249 8.795 -0.248 1.00 0.00 N ATOM 227 CA PHE A 17 -9.268 7.839 0.169 1.00 0.00 C ATOM 228 C PHE A 17 -8.713 6.418 0.170 1.00 0.00 C ATOM 229 O PHE A 17 -8.789 5.712 1.175 1.00 0.00 O ATOM 230 CB PHE A 17 -10.485 7.923 -0.755 1.00 0.00 C ATOM 231 CG PHE A 17 -11.480 6.820 -0.537 1.00 0.00 C ATOM 232 CD1 PHE A 17 -11.212 5.532 -0.972 1.00 0.00 C ATOM 233 CD2 PHE A 17 -12.684 7.070 0.102 1.00 0.00 C ATOM 234 CE1 PHE A 17 -12.126 4.514 -0.773 1.00 0.00 C ATOM 235 CE2 PHE A 17 -13.601 6.056 0.304 1.00 0.00 C ATOM 236 CZ PHE A 17 -13.322 4.777 -0.135 1.00 0.00 C ATOM 0 H PHE A 17 -8.447 9.264 -1.132 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.573 8.091 1.184 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -10.980 8.883 -0.605 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.147 7.897 -1.791 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.278 5.321 -1.472 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.908 8.069 0.446 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.905 3.514 -1.116 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.535 6.264 0.805 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.038 3.984 0.020 1.00 0.00 H new ATOM 246 N GLN A 18 -8.156 6.006 -0.964 1.00 0.00 N ATOM 247 CA GLN A 18 -7.589 4.669 -1.095 1.00 0.00 C ATOM 248 C GLN A 18 -6.512 4.429 -0.043 1.00 0.00 C ATOM 249 O GLN A 18 -6.377 3.323 0.482 1.00 0.00 O ATOM 250 CB GLN A 18 -7.004 4.475 -2.495 1.00 0.00 C ATOM 251 CG GLN A 18 -8.058 4.361 -3.585 1.00 0.00 C ATOM 252 CD GLN A 18 -7.457 4.098 -4.952 1.00 0.00 C ATOM 253 OE1 GLN A 18 -8.177 3.351 -5.781 1.00 0.00 O flip ATOM 254 NE2 GLN A 18 -6.359 4.562 -5.260 1.00 0.00 N flip ATOM 0 H GLN A 18 -8.085 6.579 -1.805 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.389 3.946 -0.940 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.346 5.313 -2.724 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.388 3.575 -2.501 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.749 3.556 -3.335 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.641 5.281 -3.619 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.840 5.131 -4.591 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.968 4.377 -6.184 1.00 0.00 H new ATOM 263 N LEU A 19 -5.747 5.472 0.262 1.00 0.00 N ATOM 264 CA LEU A 19 -4.680 5.375 1.252 1.00 0.00 C ATOM 265 C LEU A 19 -5.254 5.257 2.661 1.00 0.00 C ATOM 266 O LEU A 19 -4.986 4.289 3.372 1.00 0.00 O ATOM 267 CB LEU A 19 -3.763 6.595 1.163 1.00 0.00 C ATOM 268 CG LEU A 19 -2.652 6.525 0.115 1.00 0.00 C ATOM 269 CD1 LEU A 19 -1.780 7.769 0.177 1.00 0.00 C ATOM 270 CD2 LEU A 19 -1.811 5.272 0.312 1.00 0.00 C ATOM 0 H LEU A 19 -5.846 6.394 -0.162 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.101 4.477 1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.377 7.471 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.305 6.752 2.139 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.113 6.478 -0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.995 7.701 -0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.391 8.651 -0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.328 7.848 1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.025 5.239 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.360 5.288 1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.444 4.390 0.216 1.00 0.00 H new ATOM 282 N ALA A 20 -6.046 6.248 3.056 1.00 0.00 N ATOM 283 CA ALA A 20 -6.662 6.253 4.378 1.00 0.00 C ATOM 284 C ALA A 20 -7.010 4.838 4.827 1.00 0.00 C ATOM 285 O ALA A 20 -6.882 4.501 6.003 1.00 0.00 O ATOM 286 CB ALA A 20 -7.905 7.131 4.377 1.00 0.00 C ATOM 0 H ALA A 20 -6.276 7.058 2.480 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.942 6.663 5.086 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.355 7.126 5.370 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.630 8.151 4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.622 6.746 3.652 1.00 0.00 H new ATOM 292 N ALA A 21 -7.452 4.015 3.882 1.00 0.00 N ATOM 293 CA ALA A 21 -7.818 2.636 4.181 1.00 0.00 C ATOM 294 C ALA A 21 -6.603 1.718 4.109 1.00 0.00 C ATOM 295 O ALA A 21 -6.410 0.857 4.969 1.00 0.00 O ATOM 296 CB ALA A 21 -8.901 2.158 3.224 1.00 0.00 C ATOM 0 H ALA A 21 -7.565 4.279 2.903 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.207 2.602 5.199 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.165 1.127 3.459 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.783 2.790 3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.532 2.214 2.200 1.00 0.00 H new ATOM 302 N LEU A 22 -5.786 1.905 3.078 1.00 0.00 N ATOM 303 CA LEU A 22 -4.589 1.092 2.893 1.00 0.00 C ATOM 304 C LEU A 22 -3.655 1.218 4.092 1.00 0.00 C ATOM 305 O LEU A 22 -3.266 0.219 4.696 1.00 0.00 O ATOM 306 CB LEU A 22 -3.857 1.509 1.616 1.00 0.00 C ATOM 307 CG LEU A 22 -4.478 1.034 0.302 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.810 1.717 -0.882 1.00 0.00 C ATOM 309 CD2 LEU A 22 -4.370 -0.478 0.177 1.00 0.00 C ATOM 0 H LEU A 22 -5.931 2.612 2.358 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.898 0.050 2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.797 2.597 1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.835 1.134 1.668 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.534 1.304 0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.265 1.367 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.939 2.796 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.746 1.478 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.817 -0.798 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.320 -0.771 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.895 -0.950 1.007 1.00 0.00 H new ATOM 321 N GLN A 23 -3.300 2.453 4.432 1.00 0.00 N ATOM 322 CA GLN A 23 -2.413 2.710 5.560 1.00 0.00 C ATOM 323 C GLN A 23 -3.019 2.189 6.859 1.00 0.00 C ATOM 324 O GLN A 23 -2.317 1.634 7.705 1.00 0.00 O ATOM 325 CB GLN A 23 -2.127 4.208 5.682 1.00 0.00 C ATOM 326 CG GLN A 23 -1.126 4.721 4.659 1.00 0.00 C ATOM 327 CD GLN A 23 -0.657 6.131 4.959 1.00 0.00 C ATOM 328 OE1 GLN A 23 -0.257 6.439 6.082 1.00 0.00 O ATOM 329 NE2 GLN A 23 -0.703 6.997 3.954 1.00 0.00 N ATOM 0 H GLN A 23 -3.613 3.291 3.942 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.476 2.182 5.380 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.061 4.758 5.571 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.750 4.417 6.683 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.265 4.053 4.632 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.579 4.696 3.668 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.042 6.699 3.039 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.400 7.960 4.097 1.00 0.00 H new ATOM 338 N ARG A 24 -4.327 2.370 7.011 1.00 0.00 N ATOM 339 CA ARG A 24 -5.027 1.920 8.207 1.00 0.00 C ATOM 340 C ARG A 24 -4.944 0.403 8.347 1.00 0.00 C ATOM 341 O ARG A 24 -4.780 -0.121 9.449 1.00 0.00 O ATOM 342 CB ARG A 24 -6.492 2.359 8.163 1.00 0.00 C ATOM 343 CG ARG A 24 -7.407 1.520 9.039 1.00 0.00 C ATOM 344 CD ARG A 24 -8.584 2.332 9.555 1.00 0.00 C ATOM 345 NE ARG A 24 -9.347 1.608 10.568 1.00 0.00 N ATOM 346 CZ ARG A 24 -10.114 2.203 11.475 1.00 0.00 C ATOM 347 NH1 ARG A 24 -10.220 3.524 11.494 1.00 0.00 N ATOM 348 NH2 ARG A 24 -10.777 1.475 12.364 1.00 0.00 N ATOM 0 H ARG A 24 -4.923 2.826 6.320 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.545 2.375 9.072 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.559 3.401 8.476 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.846 2.312 7.133 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.775 0.666 8.470 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.841 1.122 9.881 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.221 3.269 9.976 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.239 2.589 8.723 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.288 0.590 10.580 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.712 4.086 10.811 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.810 3.978 12.191 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.698 0.458 12.351 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.366 1.932 13.060 1.00 0.00 H new ATOM 362 N ARG A 25 -5.060 -0.297 7.223 1.00 0.00 N ATOM 363 CA ARG A 25 -5.000 -1.754 7.220 1.00 0.00 C ATOM 364 C ARG A 25 -3.574 -2.239 7.464 1.00 0.00 C ATOM 365 O ARG A 25 -3.356 -3.229 8.164 1.00 0.00 O ATOM 366 CB ARG A 25 -5.517 -2.304 5.890 1.00 0.00 C ATOM 367 CG ARG A 25 -5.492 -3.822 5.808 1.00 0.00 C ATOM 368 CD ARG A 25 -6.495 -4.448 6.763 1.00 0.00 C ATOM 369 NE ARG A 25 -7.823 -4.561 6.165 1.00 0.00 N ATOM 370 CZ ARG A 25 -8.741 -3.603 6.229 1.00 0.00 C ATOM 371 NH1 ARG A 25 -8.477 -2.467 6.859 1.00 0.00 N ATOM 372 NH2 ARG A 25 -9.927 -3.780 5.659 1.00 0.00 N ATOM 0 H ARG A 25 -5.196 0.121 6.303 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.634 -2.121 8.027 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.539 -1.957 5.735 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.915 -1.895 5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.714 -4.136 4.788 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.491 -4.184 6.042 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.145 -5.437 7.059 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.556 -3.847 7.670 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.058 -5.422 5.672 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.566 -2.326 7.297 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.184 -1.734 6.906 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.134 -4.652 5.172 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.632 -3.044 5.708 1.00 0.00 H new ATOM 386 N PHE A 26 -2.608 -1.538 6.882 1.00 0.00 N ATOM 387 CA PHE A 26 -1.203 -1.898 7.035 1.00 0.00 C ATOM 388 C PHE A 26 -0.813 -1.956 8.509 1.00 0.00 C ATOM 389 O PHE A 26 -0.156 -2.898 8.951 1.00 0.00 O ATOM 390 CB PHE A 26 -0.314 -0.893 6.300 1.00 0.00 C ATOM 391 CG PHE A 26 1.149 -1.225 6.368 1.00 0.00 C ATOM 392 CD1 PHE A 26 1.638 -2.383 5.784 1.00 0.00 C ATOM 393 CD2 PHE A 26 2.036 -0.380 7.016 1.00 0.00 C ATOM 394 CE1 PHE A 26 2.984 -2.691 5.844 1.00 0.00 C ATOM 395 CE2 PHE A 26 3.383 -0.683 7.079 1.00 0.00 C ATOM 396 CZ PHE A 26 3.857 -1.841 6.493 1.00 0.00 C ATOM 0 H PHE A 26 -2.772 -0.717 6.300 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.058 -2.887 6.600 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.620 -0.846 5.255 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.473 0.099 6.723 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.959 -3.052 5.276 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.670 0.526 7.477 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.352 -3.596 5.384 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.064 -0.015 7.586 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.909 -2.081 6.543 1.00 0.00 H new ATOM 406 N GLN A 27 -1.224 -0.941 9.264 1.00 0.00 N ATOM 407 CA GLN A 27 -0.917 -0.876 10.687 1.00 0.00 C ATOM 408 C GLN A 27 -1.349 -2.154 11.397 1.00 0.00 C ATOM 409 O GLN A 27 -0.604 -2.715 12.201 1.00 0.00 O ATOM 410 CB GLN A 27 -1.605 0.333 11.324 1.00 0.00 C ATOM 411 CG GLN A 27 -1.282 1.649 10.636 1.00 0.00 C ATOM 412 CD GLN A 27 -2.360 2.695 10.841 1.00 0.00 C ATOM 413 OE1 GLN A 27 -3.382 2.433 11.476 1.00 0.00 O ATOM 414 NE2 GLN A 27 -2.138 3.888 10.303 1.00 0.00 N ATOM 0 H GLN A 27 -1.770 -0.154 8.913 1.00 0.00 H new ATOM 0 HA GLN A 27 0.162 -0.770 10.795 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.684 0.178 11.305 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.310 0.398 12.371 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.334 2.030 11.016 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.150 1.474 9.568 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.277 4.061 9.785 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.829 4.631 10.408 1.00 0.00 H new ATOM 423 N LYS A 28 -2.560 -2.612 11.095 1.00 0.00 N ATOM 424 CA LYS A 28 -3.093 -3.825 11.703 1.00 0.00 C ATOM 425 C LYS A 28 -2.166 -5.011 11.456 1.00 0.00 C ATOM 426 O LYS A 28 -1.765 -5.705 12.391 1.00 0.00 O ATOM 427 CB LYS A 28 -4.486 -4.129 11.146 1.00 0.00 C ATOM 428 CG LYS A 28 -5.578 -3.247 11.726 1.00 0.00 C ATOM 429 CD LYS A 28 -5.972 -3.692 13.124 1.00 0.00 C ATOM 430 CE LYS A 28 -7.215 -2.964 13.612 1.00 0.00 C ATOM 431 NZ LYS A 28 -7.546 -3.314 15.021 1.00 0.00 N ATOM 0 H LYS A 28 -3.191 -2.161 10.432 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.165 -3.661 12.778 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.470 -4.008 10.063 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.729 -5.173 11.346 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.234 -2.213 11.756 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.452 -3.273 11.075 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.154 -4.767 13.127 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.147 -3.507 13.812 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.060 -1.888 13.532 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.058 -3.214 12.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.399 -2.797 15.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.719 -4.337 15.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.752 -3.052 15.639 1.00 0.00 H new ATOM 445 N THR A 29 -1.826 -5.237 10.190 1.00 0.00 N ATOM 446 CA THR A 29 -0.946 -6.338 9.821 1.00 0.00 C ATOM 447 C THR A 29 -0.121 -5.991 8.586 1.00 0.00 C ATOM 448 O THR A 29 -0.606 -5.323 7.673 1.00 0.00 O ATOM 449 CB THR A 29 -1.743 -7.627 9.547 1.00 0.00 C ATOM 450 OG1 THR A 29 -0.846 -8.703 9.250 1.00 0.00 O ATOM 451 CG2 THR A 29 -2.708 -7.430 8.388 1.00 0.00 C ATOM 0 H THR A 29 -2.147 -4.672 9.404 1.00 0.00 H new ATOM 0 HA THR A 29 -0.278 -6.506 10.666 1.00 0.00 H new ATOM 0 HB THR A 29 -2.318 -7.870 10.441 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.007 -9.021 8.337 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.260 -8.354 8.213 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.407 -6.630 8.629 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.149 -7.165 7.490 1.00 0.00 H new ATOM 459 N GLN A 30 1.126 -6.450 8.565 1.00 0.00 N ATOM 460 CA GLN A 30 2.017 -6.188 7.441 1.00 0.00 C ATOM 461 C GLN A 30 1.624 -7.025 6.228 1.00 0.00 C ATOM 462 O GLN A 30 1.749 -6.579 5.087 1.00 0.00 O ATOM 463 CB GLN A 30 3.466 -6.485 7.832 1.00 0.00 C ATOM 464 CG GLN A 30 4.097 -5.403 8.694 1.00 0.00 C ATOM 465 CD GLN A 30 5.422 -5.833 9.293 1.00 0.00 C ATOM 466 OE1 GLN A 30 6.450 -5.836 8.616 1.00 0.00 O ATOM 467 NE2 GLN A 30 5.404 -6.198 10.569 1.00 0.00 N ATOM 0 H GLN A 30 1.542 -7.005 9.313 1.00 0.00 H new ATOM 0 HA GLN A 30 1.928 -5.134 7.177 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.502 -7.433 8.369 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.060 -6.609 6.926 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.248 -4.507 8.092 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.409 -5.136 9.496 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.529 -6.180 11.092 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.266 -6.496 11.026 1.00 0.00 H new ATOM 476 N TYR A 31 1.149 -8.239 6.482 1.00 0.00 N ATOM 477 CA TYR A 31 0.740 -9.139 5.410 1.00 0.00 C ATOM 478 C TYR A 31 -0.755 -9.433 5.487 1.00 0.00 C ATOM 479 O TYR A 31 -1.304 -9.647 6.569 1.00 0.00 O ATOM 480 CB TYR A 31 1.533 -10.445 5.483 1.00 0.00 C ATOM 481 CG TYR A 31 2.994 -10.249 5.815 1.00 0.00 C ATOM 482 CD1 TYR A 31 3.838 -9.564 4.949 1.00 0.00 C ATOM 483 CD2 TYR A 31 3.532 -10.748 6.995 1.00 0.00 C ATOM 484 CE1 TYR A 31 5.174 -9.382 5.248 1.00 0.00 C ATOM 485 CE2 TYR A 31 4.867 -10.571 7.302 1.00 0.00 C ATOM 486 CZ TYR A 31 5.684 -9.887 6.426 1.00 0.00 C ATOM 487 OH TYR A 31 7.015 -9.709 6.728 1.00 0.00 O ATOM 0 H TYR A 31 1.038 -8.623 7.421 1.00 0.00 H new ATOM 0 HA TYR A 31 0.947 -8.649 4.459 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.082 -11.092 6.235 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.453 -10.963 4.527 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.442 -9.167 4.026 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.895 -11.283 7.684 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.816 -8.847 4.563 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.269 -10.966 8.223 1.00 0.00 H new ATOM 0 HH TYR A 31 7.212 -10.124 7.593 1.00 0.00 H new ATOM 497 N LEU A 32 -1.409 -9.443 4.330 1.00 0.00 N ATOM 498 CA LEU A 32 -2.841 -9.712 4.264 1.00 0.00 C ATOM 499 C LEU A 32 -3.108 -11.117 3.732 1.00 0.00 C ATOM 500 O LEU A 32 -2.241 -11.730 3.109 1.00 0.00 O ATOM 501 CB LEU A 32 -3.534 -8.678 3.374 1.00 0.00 C ATOM 502 CG LEU A 32 -3.745 -7.295 3.992 1.00 0.00 C ATOM 503 CD1 LEU A 32 -4.375 -6.350 2.982 1.00 0.00 C ATOM 504 CD2 LEU A 32 -4.609 -7.396 5.241 1.00 0.00 C ATOM 0 H LEU A 32 -0.970 -9.268 3.426 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.245 -9.643 5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.948 -8.561 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.506 -9.074 3.079 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.773 -6.893 4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.518 -5.371 3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.720 -6.254 2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.340 -6.746 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.749 -6.403 5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.579 -7.818 4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.118 -8.039 5.972 1.00 0.00 H new ATOM 516 N ALA A 33 -4.313 -11.619 3.980 1.00 0.00 N ATOM 517 CA ALA A 33 -4.695 -12.949 3.523 1.00 0.00 C ATOM 518 C ALA A 33 -5.199 -12.911 2.084 1.00 0.00 C ATOM 519 O ALA A 33 -5.168 -11.867 1.432 1.00 0.00 O ATOM 520 CB ALA A 33 -5.755 -13.539 4.441 1.00 0.00 C ATOM 0 H ALA A 33 -5.041 -11.124 4.495 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.810 -13.585 3.554 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.031 -14.532 4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.360 -13.611 5.454 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.635 -12.896 4.440 1.00 0.00 H new ATOM 526 N LEU A 34 -5.663 -14.056 1.594 1.00 0.00 N ATOM 527 CA LEU A 34 -6.174 -14.153 0.232 1.00 0.00 C ATOM 528 C LEU A 34 -7.379 -13.238 0.035 1.00 0.00 C ATOM 529 O LEU A 34 -7.372 -12.333 -0.800 1.00 0.00 O ATOM 530 CB LEU A 34 -6.560 -15.599 -0.087 1.00 0.00 C ATOM 531 CG LEU A 34 -7.746 -15.784 -1.034 1.00 0.00 C ATOM 532 CD1 LEU A 34 -7.401 -15.280 -2.427 1.00 0.00 C ATOM 533 CD2 LEU A 34 -8.167 -17.246 -1.083 1.00 0.00 C ATOM 0 H LEU A 34 -5.696 -14.929 2.120 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.385 -13.835 -0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.693 -16.098 -0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.786 -16.109 0.850 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.583 -15.198 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.257 -15.420 -3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.149 -14.221 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.549 -15.838 -2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.012 -17.359 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.334 -17.853 -1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.457 -17.575 -0.085 1.00 0.00 H new ATOM 545 N PRO A 35 -8.438 -13.476 0.822 1.00 0.00 N ATOM 546 CA PRO A 35 -9.668 -12.682 0.755 1.00 0.00 C ATOM 547 C PRO A 35 -9.473 -11.264 1.281 1.00 0.00 C ATOM 548 O PRO A 35 -10.125 -10.328 0.821 1.00 0.00 O ATOM 549 CB PRO A 35 -10.639 -13.456 1.652 1.00 0.00 C ATOM 550 CG PRO A 35 -9.766 -14.198 2.603 1.00 0.00 C ATOM 551 CD PRO A 35 -8.516 -14.538 1.839 1.00 0.00 C ATOM 0 HA PRO A 35 -10.018 -12.559 -0.270 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.315 -12.782 2.178 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.259 -14.138 1.069 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.536 -13.589 3.477 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.260 -15.100 2.964 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.638 -14.541 2.485 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.580 -15.526 1.384 1.00 0.00 H new ATOM 559 N GLU A 36 -8.571 -11.115 2.246 1.00 0.00 N ATOM 560 CA GLU A 36 -8.290 -9.810 2.833 1.00 0.00 C ATOM 561 C GLU A 36 -7.748 -8.846 1.782 1.00 0.00 C ATOM 562 O GLU A 36 -8.273 -7.747 1.603 1.00 0.00 O ATOM 563 CB GLU A 36 -7.288 -9.947 3.981 1.00 0.00 C ATOM 564 CG GLU A 36 -7.491 -8.929 5.091 1.00 0.00 C ATOM 565 CD GLU A 36 -8.952 -8.742 5.451 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.524 -9.646 6.097 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.523 -7.693 5.088 1.00 0.00 O ATOM 0 H GLU A 36 -8.023 -11.881 2.638 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.225 -9.407 3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.364 -10.950 4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.278 -9.843 3.585 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.940 -9.248 5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.071 -7.972 4.782 1.00 0.00 H new ATOM 574 N ARG A 37 -6.693 -9.265 1.091 1.00 0.00 N ATOM 575 CA ARG A 37 -6.077 -8.439 0.060 1.00 0.00 C ATOM 576 C ARG A 37 -7.114 -7.984 -0.963 1.00 0.00 C ATOM 577 O ARG A 37 -7.250 -6.792 -1.236 1.00 0.00 O ATOM 578 CB ARG A 37 -4.958 -9.211 -0.642 1.00 0.00 C ATOM 579 CG ARG A 37 -4.239 -8.404 -1.711 1.00 0.00 C ATOM 580 CD ARG A 37 -3.232 -9.256 -2.468 1.00 0.00 C ATOM 581 NE ARG A 37 -3.641 -10.656 -2.535 1.00 0.00 N ATOM 582 CZ ARG A 37 -3.383 -11.544 -1.581 1.00 0.00 C ATOM 583 NH1 ARG A 37 -2.722 -11.177 -0.492 1.00 0.00 N ATOM 584 NH2 ARG A 37 -3.787 -12.800 -1.715 1.00 0.00 N ATOM 0 H ARG A 37 -6.247 -10.172 1.227 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.654 -7.557 0.541 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.233 -9.540 0.102 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.377 -10.108 -1.097 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.968 -7.993 -2.410 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.728 -7.559 -1.249 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.113 -8.864 -3.478 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.259 -9.185 -1.982 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.153 -10.970 -3.360 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.411 -10.212 -0.386 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.525 -11.860 0.239 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.296 -13.085 -2.551 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.588 -13.481 -0.982 1.00 0.00 H new ATOM 598 N ALA A 38 -7.843 -8.942 -1.525 1.00 0.00 N ATOM 599 CA ALA A 38 -8.869 -8.640 -2.517 1.00 0.00 C ATOM 600 C ALA A 38 -9.867 -7.620 -1.980 1.00 0.00 C ATOM 601 O ALA A 38 -10.463 -6.861 -2.744 1.00 0.00 O ATOM 602 CB ALA A 38 -9.587 -9.914 -2.938 1.00 0.00 C ATOM 0 H ALA A 38 -7.743 -9.934 -1.311 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.380 -8.207 -3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.350 -9.674 -3.678 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.869 -10.611 -3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.057 -10.371 -2.067 1.00 0.00 H new ATOM 608 N GLU A 39 -10.045 -7.609 -0.663 1.00 0.00 N ATOM 609 CA GLU A 39 -10.973 -6.682 -0.026 1.00 0.00 C ATOM 610 C GLU A 39 -10.580 -5.236 -0.311 1.00 0.00 C ATOM 611 O GLU A 39 -11.434 -4.390 -0.579 1.00 0.00 O ATOM 612 CB GLU A 39 -11.012 -6.923 1.485 1.00 0.00 C ATOM 613 CG GLU A 39 -12.241 -6.339 2.163 1.00 0.00 C ATOM 614 CD GLU A 39 -13.423 -7.288 2.146 1.00 0.00 C ATOM 615 OE1 GLU A 39 -13.246 -8.462 2.536 1.00 0.00 O ATOM 616 OE2 GLU A 39 -14.524 -6.859 1.745 1.00 0.00 O ATOM 0 H GLU A 39 -9.559 -8.231 -0.017 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.965 -6.859 -0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.978 -7.996 1.674 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.119 -6.491 1.936 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.997 -6.087 3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.519 -5.410 1.665 1.00 0.00 H new ATOM 623 N LEU A 40 -9.282 -4.959 -0.252 1.00 0.00 N ATOM 624 CA LEU A 40 -8.774 -3.615 -0.504 1.00 0.00 C ATOM 625 C LEU A 40 -8.908 -3.249 -1.979 1.00 0.00 C ATOM 626 O LEU A 40 -9.138 -2.090 -2.322 1.00 0.00 O ATOM 627 CB LEU A 40 -7.310 -3.513 -0.073 1.00 0.00 C ATOM 628 CG LEU A 40 -6.947 -4.204 1.242 1.00 0.00 C ATOM 629 CD1 LEU A 40 -5.489 -3.954 1.592 1.00 0.00 C ATOM 630 CD2 LEU A 40 -7.857 -3.726 2.364 1.00 0.00 C ATOM 0 H LEU A 40 -8.562 -5.647 -0.032 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.369 -2.913 0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.689 -3.933 -0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.049 -2.458 0.010 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.090 -5.277 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.249 -4.453 2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.852 -4.346 0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.319 -2.883 1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.585 -4.228 3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.747 -2.649 2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.893 -3.958 2.116 1.00 0.00 H new ATOM 642 N ALA A 41 -8.765 -4.246 -2.846 1.00 0.00 N ATOM 643 CA ALA A 41 -8.875 -4.031 -4.283 1.00 0.00 C ATOM 644 C ALA A 41 -10.330 -3.840 -4.700 1.00 0.00 C ATOM 645 O ALA A 41 -10.635 -3.019 -5.565 1.00 0.00 O ATOM 646 CB ALA A 41 -8.255 -5.195 -5.040 1.00 0.00 C ATOM 0 H ALA A 41 -8.573 -5.211 -2.578 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.331 -3.120 -4.532 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.344 -5.021 -6.112 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.202 -5.283 -4.773 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.774 -6.117 -4.778 1.00 0.00 H new ATOM 652 N ALA A 42 -11.223 -4.604 -4.080 1.00 0.00 N ATOM 653 CA ALA A 42 -12.646 -4.518 -4.386 1.00 0.00 C ATOM 654 C ALA A 42 -13.285 -3.321 -3.691 1.00 0.00 C ATOM 655 O ALA A 42 -14.122 -2.628 -4.270 1.00 0.00 O ATOM 656 CB ALA A 42 -13.351 -5.804 -3.983 1.00 0.00 C ATOM 0 H ALA A 42 -10.986 -5.290 -3.363 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.754 -4.380 -5.462 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.413 -5.726 -4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.920 -6.642 -4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.227 -5.967 -2.912 1.00 0.00 H new ATOM 662 N SER A 43 -12.887 -3.084 -2.445 1.00 0.00 N ATOM 663 CA SER A 43 -13.425 -1.973 -1.669 1.00 0.00 C ATOM 664 C SER A 43 -12.871 -0.642 -2.169 1.00 0.00 C ATOM 665 O SER A 43 -13.618 0.219 -2.635 1.00 0.00 O ATOM 666 CB SER A 43 -13.094 -2.151 -0.186 1.00 0.00 C ATOM 667 OG SER A 43 -13.727 -1.157 0.601 1.00 0.00 O ATOM 0 H SER A 43 -12.194 -3.647 -1.951 1.00 0.00 H new ATOM 0 HA SER A 43 -14.508 -1.966 -1.794 1.00 0.00 H new ATOM 0 HB2 SER A 43 -13.413 -3.139 0.145 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.015 -2.100 -0.042 1.00 0.00 H new ATOM 0 HG SER A 43 -13.501 -1.294 1.545 1.00 0.00 H new ATOM 673 N LEU A 44 -11.556 -0.480 -2.068 1.00 0.00 N ATOM 674 CA LEU A 44 -10.900 0.745 -2.509 1.00 0.00 C ATOM 675 C LEU A 44 -11.017 0.911 -4.021 1.00 0.00 C ATOM 676 O LEU A 44 -10.771 1.990 -4.558 1.00 0.00 O ATOM 677 CB LEU A 44 -9.427 0.735 -2.098 1.00 0.00 C ATOM 678 CG LEU A 44 -9.135 0.312 -0.658 1.00 0.00 C ATOM 679 CD1 LEU A 44 -7.642 0.376 -0.375 1.00 0.00 C ATOM 680 CD2 LEU A 44 -9.902 1.189 0.321 1.00 0.00 C ATOM 0 H LEU A 44 -10.923 -1.182 -1.684 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.398 1.588 -2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.888 0.066 -2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.021 1.735 -2.251 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.465 -0.719 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.453 0.072 0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.114 -0.294 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.287 1.396 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.682 0.874 1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.602 2.229 0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.972 1.093 0.134 1.00 0.00 H new ATOM 692 N GLY A 45 -11.396 -0.166 -4.702 1.00 0.00 N ATOM 693 CA GLY A 45 -11.541 -0.118 -6.145 1.00 0.00 C ATOM 694 C GLY A 45 -10.225 -0.327 -6.868 1.00 0.00 C ATOM 695 O GLY A 45 -10.058 0.108 -8.008 1.00 0.00 O ATOM 0 H GLY A 45 -11.605 -1.071 -4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.251 -0.882 -6.461 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.961 0.846 -6.433 1.00 0.00 H new ATOM 699 N LEU A 46 -9.286 -0.992 -6.203 1.00 0.00 N ATOM 700 CA LEU A 46 -7.976 -1.256 -6.788 1.00 0.00 C ATOM 701 C LEU A 46 -7.834 -2.728 -7.163 1.00 0.00 C ATOM 702 O LEU A 46 -8.755 -3.521 -6.969 1.00 0.00 O ATOM 703 CB LEU A 46 -6.869 -0.858 -5.810 1.00 0.00 C ATOM 704 CG LEU A 46 -6.893 0.592 -5.324 1.00 0.00 C ATOM 705 CD1 LEU A 46 -6.316 0.693 -3.921 1.00 0.00 C ATOM 706 CD2 LEU A 46 -6.125 1.489 -6.284 1.00 0.00 C ATOM 0 H LEU A 46 -9.408 -1.358 -5.259 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.883 -0.658 -7.695 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.927 -1.513 -4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.906 -1.045 -6.286 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.929 0.929 -5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.341 1.732 -3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.907 0.082 -3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.285 0.338 -3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.153 2.517 -5.922 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.090 1.154 -6.346 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.582 1.440 -7.272 1.00 0.00 H new ATOM 718 N THR A 47 -6.672 -3.087 -7.700 1.00 0.00 N ATOM 719 CA THR A 47 -6.408 -4.463 -8.101 1.00 0.00 C ATOM 720 C THR A 47 -5.316 -5.087 -7.239 1.00 0.00 C ATOM 721 O THR A 47 -4.446 -4.387 -6.722 1.00 0.00 O ATOM 722 CB THR A 47 -5.989 -4.546 -9.581 1.00 0.00 C ATOM 723 OG1 THR A 47 -5.617 -5.889 -9.910 1.00 0.00 O ATOM 724 CG2 THR A 47 -4.827 -3.608 -9.868 1.00 0.00 C ATOM 0 H THR A 47 -5.899 -2.443 -7.867 1.00 0.00 H new ATOM 0 HA THR A 47 -7.337 -5.017 -7.963 1.00 0.00 H new ATOM 0 HB THR A 47 -6.838 -4.244 -10.194 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.354 -5.934 -10.853 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.549 -3.684 -10.919 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.123 -2.583 -9.644 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.975 -3.883 -9.246 1.00 0.00 H new ATOM 732 N GLN A 48 -5.368 -6.407 -7.091 1.00 0.00 N ATOM 733 CA GLN A 48 -4.382 -7.124 -6.291 1.00 0.00 C ATOM 734 C GLN A 48 -2.966 -6.697 -6.662 1.00 0.00 C ATOM 735 O GLN A 48 -2.127 -6.466 -5.791 1.00 0.00 O ATOM 736 CB GLN A 48 -4.539 -8.633 -6.484 1.00 0.00 C ATOM 737 CG GLN A 48 -5.754 -9.214 -5.778 1.00 0.00 C ATOM 738 CD GLN A 48 -6.249 -10.493 -6.424 1.00 0.00 C ATOM 739 OE1 GLN A 48 -6.045 -10.718 -7.617 1.00 0.00 O ATOM 740 NE2 GLN A 48 -6.903 -11.339 -5.637 1.00 0.00 N ATOM 0 H GLN A 48 -6.081 -7.001 -7.514 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.553 -6.879 -5.243 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.611 -8.849 -7.550 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.643 -9.133 -6.117 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.504 -9.411 -4.736 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.557 -8.477 -5.779 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.049 -11.111 -4.654 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.259 -12.216 -6.016 1.00 0.00 H new ATOM 749 N THR A 49 -2.704 -6.594 -7.962 1.00 0.00 N ATOM 750 CA THR A 49 -1.390 -6.197 -8.448 1.00 0.00 C ATOM 751 C THR A 49 -0.989 -4.832 -7.898 1.00 0.00 C ATOM 752 O THR A 49 0.196 -4.520 -7.792 1.00 0.00 O ATOM 753 CB THR A 49 -1.351 -6.149 -9.987 1.00 0.00 C ATOM 754 OG1 THR A 49 -1.949 -7.331 -10.529 1.00 0.00 O ATOM 755 CG2 THR A 49 0.080 -6.022 -10.489 1.00 0.00 C ATOM 0 H THR A 49 -3.386 -6.781 -8.697 1.00 0.00 H new ATOM 0 HA THR A 49 -0.683 -6.949 -8.097 1.00 0.00 H new ATOM 0 HB THR A 49 -1.913 -5.275 -10.315 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.922 -7.292 -11.508 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.082 -5.990 -11.579 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.523 -5.106 -10.098 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.662 -6.879 -10.150 1.00 0.00 H new ATOM 763 N GLN A 50 -1.986 -4.025 -7.549 1.00 0.00 N ATOM 764 CA GLN A 50 -1.736 -2.693 -7.010 1.00 0.00 C ATOM 765 C GLN A 50 -1.571 -2.742 -5.495 1.00 0.00 C ATOM 766 O GLN A 50 -0.569 -2.273 -4.954 1.00 0.00 O ATOM 767 CB GLN A 50 -2.880 -1.747 -7.380 1.00 0.00 C ATOM 768 CG GLN A 50 -2.751 -1.154 -8.773 1.00 0.00 C ATOM 769 CD GLN A 50 -3.371 0.226 -8.880 1.00 0.00 C ATOM 770 OE1 GLN A 50 -4.183 0.488 -9.768 1.00 0.00 O ATOM 771 NE2 GLN A 50 -2.991 1.117 -7.971 1.00 0.00 N ATOM 0 H GLN A 50 -2.973 -4.270 -7.630 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.810 -2.319 -7.447 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.824 -2.287 -7.310 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.921 -0.937 -6.652 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.697 -1.096 -9.043 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.228 -1.819 -9.493 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.315 0.856 -7.253 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.375 2.062 -7.991 1.00 0.00 H new ATOM 780 N VAL A 51 -2.560 -3.312 -4.814 1.00 0.00 N ATOM 781 CA VAL A 51 -2.525 -3.422 -3.361 1.00 0.00 C ATOM 782 C VAL A 51 -1.324 -4.242 -2.902 1.00 0.00 C ATOM 783 O VAL A 51 -0.840 -4.081 -1.781 1.00 0.00 O ATOM 784 CB VAL A 51 -3.812 -4.068 -2.815 1.00 0.00 C ATOM 785 CG1 VAL A 51 -3.581 -4.620 -1.417 1.00 0.00 C ATOM 786 CG2 VAL A 51 -4.954 -3.063 -2.818 1.00 0.00 C ATOM 0 H VAL A 51 -3.396 -3.705 -5.246 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.442 -2.408 -2.969 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.086 -4.898 -3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.501 -5.072 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.794 -5.373 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.282 -3.811 -0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.856 -3.536 -2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.691 -2.212 -2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.134 -2.720 -3.837 1.00 0.00 H new ATOM 796 N LYS A 52 -0.847 -5.122 -3.775 1.00 0.00 N ATOM 797 CA LYS A 52 0.299 -5.968 -3.461 1.00 0.00 C ATOM 798 C LYS A 52 1.590 -5.155 -3.456 1.00 0.00 C ATOM 799 O LYS A 52 2.294 -5.098 -2.447 1.00 0.00 O ATOM 800 CB LYS A 52 0.408 -7.110 -4.473 1.00 0.00 C ATOM 801 CG LYS A 52 -0.353 -8.360 -4.064 1.00 0.00 C ATOM 802 CD LYS A 52 0.085 -9.569 -4.873 1.00 0.00 C ATOM 803 CE LYS A 52 -0.580 -9.596 -6.241 1.00 0.00 C ATOM 804 NZ LYS A 52 0.072 -10.573 -7.156 1.00 0.00 N ATOM 0 H LYS A 52 -1.236 -5.268 -4.706 1.00 0.00 H new ATOM 0 HA LYS A 52 0.149 -6.386 -2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.034 -6.766 -5.438 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.459 -7.363 -4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.193 -8.554 -3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.422 -8.197 -4.201 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.168 -9.554 -4.994 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.162 -10.481 -4.329 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.633 -9.852 -6.128 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.540 -8.601 -6.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.410 -10.561 -8.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.071 -10.315 -7.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.011 -11.527 -6.746 1.00 0.00 H new ATOM 818 N ILE A 53 1.892 -4.526 -4.586 1.00 0.00 N ATOM 819 CA ILE A 53 3.097 -3.714 -4.710 1.00 0.00 C ATOM 820 C ILE A 53 3.140 -2.629 -3.639 1.00 0.00 C ATOM 821 O ILE A 53 4.211 -2.271 -3.148 1.00 0.00 O ATOM 822 CB ILE A 53 3.191 -3.054 -6.098 1.00 0.00 C ATOM 823 CG1 ILE A 53 3.176 -4.119 -7.196 1.00 0.00 C ATOM 824 CG2 ILE A 53 4.448 -2.203 -6.195 1.00 0.00 C ATOM 825 CD1 ILE A 53 3.131 -3.545 -8.594 1.00 0.00 C ATOM 0 H ILE A 53 1.319 -4.563 -5.429 1.00 0.00 H new ATOM 0 HA ILE A 53 3.946 -4.385 -4.579 1.00 0.00 H new ATOM 0 HB ILE A 53 2.325 -2.406 -6.235 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.064 -4.744 -7.097 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.312 -4.767 -7.050 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.501 -1.743 -7.182 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.420 -1.424 -5.433 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.325 -2.831 -6.040 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.123 -4.357 -9.321 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.230 -2.944 -8.712 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.008 -2.920 -8.759 1.00 0.00 H new ATOM 837 N TRP A 54 1.971 -2.112 -3.281 1.00 0.00 N ATOM 838 CA TRP A 54 1.875 -1.068 -2.266 1.00 0.00 C ATOM 839 C TRP A 54 2.363 -1.577 -0.915 1.00 0.00 C ATOM 840 O TRP A 54 3.335 -1.063 -0.361 1.00 0.00 O ATOM 841 CB TRP A 54 0.432 -0.574 -2.148 1.00 0.00 C ATOM 842 CG TRP A 54 0.278 0.592 -1.219 1.00 0.00 C ATOM 843 CD1 TRP A 54 0.273 1.915 -1.558 1.00 0.00 C ATOM 844 CD2 TRP A 54 0.108 0.539 0.202 1.00 0.00 C ATOM 845 NE1 TRP A 54 0.111 2.687 -0.433 1.00 0.00 N ATOM 846 CE2 TRP A 54 0.006 1.867 0.659 1.00 0.00 C ATOM 847 CE3 TRP A 54 0.031 -0.502 1.132 1.00 0.00 C ATOM 848 CZ2 TRP A 54 -0.168 2.179 2.005 1.00 0.00 C ATOM 849 CZ3 TRP A 54 -0.142 -0.190 2.467 1.00 0.00 C ATOM 850 CH2 TRP A 54 -0.240 1.141 2.893 1.00 0.00 C ATOM 0 H TRP A 54 1.076 -2.398 -3.678 1.00 0.00 H new ATOM 0 HA TRP A 54 2.512 -0.238 -2.572 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.070 -0.292 -3.137 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.198 -1.393 -1.800 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.381 2.298 -2.562 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.075 3.706 -0.414 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.105 -1.531 0.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.243 3.204 2.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.203 -0.986 3.194 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.375 1.352 3.944 1.00 0.00 H new ATOM 861 N PHE A 55 1.684 -2.591 -0.388 1.00 0.00 N ATOM 862 CA PHE A 55 2.049 -3.168 0.900 1.00 0.00 C ATOM 863 C PHE A 55 3.531 -3.529 0.934 1.00 0.00 C ATOM 864 O PHE A 55 4.171 -3.468 1.984 1.00 0.00 O ATOM 865 CB PHE A 55 1.204 -4.412 1.183 1.00 0.00 C ATOM 866 CG PHE A 55 -0.072 -4.116 1.917 1.00 0.00 C ATOM 867 CD1 PHE A 55 -1.127 -3.489 1.274 1.00 0.00 C ATOM 868 CD2 PHE A 55 -0.217 -4.464 3.250 1.00 0.00 C ATOM 869 CE1 PHE A 55 -2.302 -3.214 1.948 1.00 0.00 C ATOM 870 CE2 PHE A 55 -1.390 -4.192 3.929 1.00 0.00 C ATOM 871 CZ PHE A 55 -2.434 -3.567 3.277 1.00 0.00 C ATOM 0 H PHE A 55 0.878 -3.030 -0.833 1.00 0.00 H new ATOM 0 HA PHE A 55 1.857 -2.422 1.671 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.965 -4.902 0.239 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.795 -5.117 1.768 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.030 -3.212 0.235 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.596 -4.954 3.765 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.116 -2.723 1.436 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.490 -4.468 4.968 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.352 -3.354 3.805 1.00 0.00 H new ATOM 881 N GLN A 56 4.070 -3.903 -0.222 1.00 0.00 N ATOM 882 CA GLN A 56 5.476 -4.274 -0.324 1.00 0.00 C ATOM 883 C GLN A 56 6.373 -3.046 -0.213 1.00 0.00 C ATOM 884 O GLN A 56 7.454 -3.105 0.371 1.00 0.00 O ATOM 885 CB GLN A 56 5.740 -4.996 -1.647 1.00 0.00 C ATOM 886 CG GLN A 56 7.017 -5.822 -1.645 1.00 0.00 C ATOM 887 CD GLN A 56 7.049 -6.848 -2.761 1.00 0.00 C ATOM 888 OE1 GLN A 56 6.378 -6.693 -3.782 1.00 0.00 O ATOM 889 NE2 GLN A 56 7.831 -7.904 -2.571 1.00 0.00 N ATOM 0 H GLN A 56 3.554 -3.957 -1.100 1.00 0.00 H new ATOM 0 HA GLN A 56 5.709 -4.947 0.502 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.896 -5.648 -1.870 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.795 -4.260 -2.449 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.875 -5.157 -1.743 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.115 -6.331 -0.686 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.370 -7.991 -1.709 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.893 -8.628 -3.287 1.00 0.00 H new ATOM 898 N ASN A 57 5.916 -1.933 -0.779 1.00 0.00 N ATOM 899 CA ASN A 57 6.678 -0.690 -0.744 1.00 0.00 C ATOM 900 C ASN A 57 6.745 -0.132 0.674 1.00 0.00 C ATOM 901 O ASN A 57 7.827 0.023 1.242 1.00 0.00 O ATOM 902 CB ASN A 57 6.050 0.344 -1.681 1.00 0.00 C ATOM 903 CG ASN A 57 6.078 -0.098 -3.132 1.00 0.00 C ATOM 904 OD1 ASN A 57 6.845 -0.984 -3.507 1.00 0.00 O ATOM 905 ND2 ASN A 57 5.238 0.519 -3.955 1.00 0.00 N ATOM 0 H ASN A 57 5.023 -1.867 -1.267 1.00 0.00 H new ATOM 0 HA ASN A 57 7.693 -0.906 -1.079 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.018 0.525 -1.379 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.582 1.290 -1.582 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.211 0.263 -4.942 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.620 1.248 -3.600 1.00 0.00 H new ATOM 912 N LYS A 58 5.582 0.167 1.242 1.00 0.00 N ATOM 913 CA LYS A 58 5.506 0.706 2.595 1.00 0.00 C ATOM 914 C LYS A 58 6.471 -0.023 3.525 1.00 0.00 C ATOM 915 O LYS A 58 7.320 0.599 4.164 1.00 0.00 O ATOM 916 CB LYS A 58 4.078 0.590 3.133 1.00 0.00 C ATOM 917 CG LYS A 58 3.902 1.179 4.522 1.00 0.00 C ATOM 918 CD LYS A 58 3.517 2.648 4.460 1.00 0.00 C ATOM 919 CE LYS A 58 2.007 2.827 4.422 1.00 0.00 C ATOM 920 NZ LYS A 58 1.336 2.125 5.551 1.00 0.00 N ATOM 0 H LYS A 58 4.678 0.045 0.786 1.00 0.00 H new ATOM 0 HA LYS A 58 5.789 1.758 2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.398 1.093 2.445 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.791 -0.461 3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.134 0.623 5.059 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.829 1.068 5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.925 3.169 5.326 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.961 3.105 3.575 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.766 3.889 4.461 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.620 2.447 3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.686 1.406 5.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.052 1.666 6.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.801 2.813 6.119 1.00 0.00 H new ATOM 934 N ARG A 59 6.336 -1.343 3.595 1.00 0.00 N ATOM 935 CA ARG A 59 7.197 -2.155 4.446 1.00 0.00 C ATOM 936 C ARG A 59 8.649 -1.699 4.344 1.00 0.00 C ATOM 937 O ARG A 59 9.397 -1.752 5.320 1.00 0.00 O ATOM 938 CB ARG A 59 7.086 -3.631 4.060 1.00 0.00 C ATOM 939 CG ARG A 59 5.816 -4.299 4.564 1.00 0.00 C ATOM 940 CD ARG A 59 5.817 -5.790 4.269 1.00 0.00 C ATOM 941 NE ARG A 59 6.953 -6.470 4.886 1.00 0.00 N ATOM 942 CZ ARG A 59 8.155 -6.548 4.326 1.00 0.00 C ATOM 943 NH1 ARG A 59 8.377 -5.991 3.143 1.00 0.00 N ATOM 944 NH2 ARG A 59 9.139 -7.183 4.950 1.00 0.00 N ATOM 0 H ARG A 59 5.638 -1.873 3.073 1.00 0.00 H new ATOM 0 HA ARG A 59 6.867 -2.031 5.477 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.126 -3.718 2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.949 -4.167 4.454 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.721 -4.139 5.638 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.948 -3.835 4.095 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.889 -6.232 4.632 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.843 -5.946 3.191 1.00 0.00 H new ATOM 0 HE ARG A 59 6.816 -6.909 5.796 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.624 -5.501 2.661 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.301 -6.053 2.716 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.973 -7.612 5.860 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.062 -7.242 4.519 1.00 0.00 H new