USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 645 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 38 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 42 LYS NZ :NH3+ 129:sc= -0.482 (180deg=-2.76!) USER MOD Set 2.1: A 25 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 29 GLN : amide:sc= -0.37 K(o=-0.37,f=-1) USER MOD Single : A 10 SER OG : rot 32:sc= 0.031 USER MOD Single : A 12 SER OG : rot 53:sc= -0.253 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -164:sc= -0.0421 (180deg=-0.382) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -7.02! C(o=-7!,f=-4.6!) USER MOD Single : A 28 GLN : amide:sc= -2.93! K(o=-2.9!,f=-2.3) USER MOD Single : A 32 TYR OH : rot 180:sc= -1.05 USER MOD Single : A 39 LYS NZ :NH3+ -115:sc= 0.00782 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 43 GLN : amide:sc= -0.0388 K(o=-0.039,f=-1.4!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 114:sc= 0.225 USER MOD Single : A 55 TYR OH : rot -85:sc= 0.429 USER MOD Single : A 57 LYS NZ :NH3+ -159:sc= -0.0335 (180deg=-0.393) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -1.16 K(o=-1.2,f=-2.6!) USER MOD Single : A 64 ASN : amide:sc= -1.99! C(o=-2!,f=-2.9!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.6 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -115:sc= 0.582 USER MOD Single : A 70 ASN : amide:sc= -1.79! C(o=-1.8!,f=-4.7!) USER MOD Single : A 71 LYS NZ :NH3+ -116:sc= -2.54! (180deg=-4.15!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 82 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.346) USER MOD Single : A 84 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.162) USER MOD Single : A 86 TYR OH : rot 111:sc= 0.916 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N SER A 10 74.277 -11.822 10.030 1.00 0.00 N ATOM 194 CA SER A 10 75.508 -12.568 9.794 1.00 0.00 C ATOM 195 C SER A 10 76.368 -11.865 8.747 1.00 0.00 C ATOM 196 O SER A 10 75.979 -10.837 8.195 1.00 0.00 O ATOM 197 CB SER A 10 75.185 -13.986 9.324 1.00 0.00 C ATOM 198 OG SER A 10 74.525 -14.691 10.369 1.00 0.00 O ATOM 0 HA SER A 10 76.062 -12.618 10.731 1.00 0.00 H new ATOM 0 HB2 SER A 10 74.552 -13.952 8.437 1.00 0.00 H new ATOM 0 HB3 SER A 10 76.101 -14.505 9.042 1.00 0.00 H new ATOM 0 HG SER A 10 73.996 -14.063 10.904 1.00 0.00 H new ATOM 204 N ILE A 11 77.541 -12.430 8.480 1.00 0.00 N ATOM 205 CA ILE A 11 78.448 -11.864 7.490 1.00 0.00 C ATOM 206 C ILE A 11 79.055 -12.962 6.627 1.00 0.00 C ATOM 207 O ILE A 11 79.503 -13.985 7.141 1.00 0.00 O ATOM 208 CB ILE A 11 79.555 -11.063 8.178 1.00 0.00 C ATOM 209 CG1 ILE A 11 78.934 -9.932 9.008 1.00 0.00 C ATOM 210 CG2 ILE A 11 80.491 -10.470 7.124 1.00 0.00 C ATOM 211 CD1 ILE A 11 78.781 -10.393 10.460 1.00 0.00 C ATOM 0 H ILE A 11 77.884 -13.276 8.934 1.00 0.00 H new ATOM 0 HA ILE A 11 77.877 -11.194 6.847 1.00 0.00 H new ATOM 0 HB ILE A 11 80.122 -11.723 8.834 1.00 0.00 H new ATOM 0 HG12 ILE A 11 79.564 -9.044 8.961 1.00 0.00 H new ATOM 0 HG13 ILE A 11 77.962 -9.656 8.598 1.00 0.00 H new ATOM 0 HG21 ILE A 11 81.279 -9.900 7.616 1.00 0.00 H new ATOM 0 HG22 ILE A 11 80.937 -11.275 6.539 1.00 0.00 H new ATOM 0 HG23 ILE A 11 79.925 -9.812 6.464 1.00 0.00 H new ATOM 0 HD11 ILE A 11 78.340 -9.591 11.052 1.00 0.00 H new ATOM 0 HD12 ILE A 11 78.134 -11.269 10.497 1.00 0.00 H new ATOM 0 HD13 ILE A 11 79.760 -10.647 10.866 1.00 0.00 H new ATOM 223 N SER A 12 79.067 -12.741 5.313 1.00 0.00 N ATOM 224 CA SER A 12 79.618 -13.717 4.380 1.00 0.00 C ATOM 225 C SER A 12 80.767 -13.107 3.586 1.00 0.00 C ATOM 226 O SER A 12 81.077 -11.926 3.734 1.00 0.00 O ATOM 227 CB SER A 12 78.533 -14.202 3.421 1.00 0.00 C ATOM 228 OG SER A 12 79.077 -15.197 2.565 1.00 0.00 O ATOM 0 H SER A 12 78.702 -11.896 4.873 1.00 0.00 H new ATOM 0 HA SER A 12 79.995 -14.564 4.954 1.00 0.00 H new ATOM 0 HB2 SER A 12 77.691 -14.608 3.981 1.00 0.00 H new ATOM 0 HB3 SER A 12 78.152 -13.368 2.832 1.00 0.00 H new ATOM 0 HG SER A 12 79.502 -15.896 3.105 1.00 0.00 H new ATOM 234 N ARG A 13 81.391 -13.919 2.740 1.00 0.00 N ATOM 235 CA ARG A 13 82.505 -13.449 1.921 1.00 0.00 C ATOM 236 C ARG A 13 82.131 -13.474 0.446 1.00 0.00 C ATOM 237 O ARG A 13 81.615 -14.469 -0.062 1.00 0.00 O ATOM 238 CB ARG A 13 83.730 -14.337 2.158 1.00 0.00 C ATOM 239 CG ARG A 13 84.349 -14.029 3.527 1.00 0.00 C ATOM 240 CD ARG A 13 84.273 -15.271 4.410 1.00 0.00 C ATOM 241 NE ARG A 13 84.715 -14.950 5.761 1.00 0.00 N ATOM 242 CZ ARG A 13 83.905 -14.337 6.621 1.00 0.00 C ATOM 243 NH1 ARG A 13 82.693 -14.012 6.259 1.00 0.00 N ATOM 244 NH2 ARG A 13 84.323 -14.058 7.826 1.00 0.00 N ATOM 0 H ARG A 13 81.147 -14.900 2.603 1.00 0.00 H new ATOM 0 HA ARG A 13 82.738 -12.423 2.205 1.00 0.00 H new ATOM 0 HB2 ARG A 13 83.442 -15.387 2.109 1.00 0.00 H new ATOM 0 HB3 ARG A 13 84.466 -14.171 1.372 1.00 0.00 H new ATOM 0 HG2 ARG A 13 85.387 -13.718 3.407 1.00 0.00 H new ATOM 0 HG3 ARG A 13 83.820 -13.201 3.999 1.00 0.00 H new ATOM 0 HD2 ARG A 13 83.251 -15.649 4.433 1.00 0.00 H new ATOM 0 HD3 ARG A 13 84.896 -16.062 3.993 1.00 0.00 H new ATOM 0 HE ARG A 13 85.660 -15.199 6.052 1.00 0.00 H new ATOM 0 HH11 ARG A 13 82.367 -14.228 5.317 1.00 0.00 H new ATOM 0 HH12 ARG A 13 82.072 -13.542 6.918 1.00 0.00 H new ATOM 0 HH21 ARG A 13 85.270 -14.310 8.108 1.00 0.00 H new ATOM 0 HH22 ARG A 13 83.702 -13.588 8.485 1.00 0.00 H new ATOM 258 N ALA A 14 82.397 -12.365 -0.232 1.00 0.00 N ATOM 259 CA ALA A 14 82.088 -12.254 -1.650 1.00 0.00 C ATOM 260 C ALA A 14 82.921 -13.235 -2.461 1.00 0.00 C ATOM 261 O ALA A 14 84.010 -13.627 -2.044 1.00 0.00 O ATOM 262 CB ALA A 14 82.348 -10.834 -2.128 1.00 0.00 C ATOM 0 H ALA A 14 82.824 -11.533 0.176 1.00 0.00 H new ATOM 0 HA ALA A 14 81.035 -12.495 -1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 14 82.114 -10.759 -3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 14 81.720 -10.141 -1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 14 83.397 -10.583 -1.969 1.00 0.00 H new ATOM 268 N LYS A 15 82.398 -13.642 -3.613 1.00 0.00 N ATOM 269 CA LYS A 15 83.105 -14.590 -4.462 1.00 0.00 C ATOM 270 C LYS A 15 83.908 -13.875 -5.540 1.00 0.00 C ATOM 271 O LYS A 15 85.035 -14.266 -5.850 1.00 0.00 O ATOM 272 CB LYS A 15 82.100 -15.536 -5.127 1.00 0.00 C ATOM 273 CG LYS A 15 82.380 -16.981 -4.708 1.00 0.00 C ATOM 274 CD LYS A 15 81.970 -17.179 -3.247 1.00 0.00 C ATOM 275 CE LYS A 15 82.820 -18.287 -2.627 1.00 0.00 C ATOM 276 NZ LYS A 15 82.292 -18.619 -1.273 1.00 0.00 N ATOM 0 H LYS A 15 81.496 -13.333 -3.976 1.00 0.00 H new ATOM 0 HA LYS A 15 83.794 -15.155 -3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 15 81.085 -15.258 -4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 15 82.165 -15.445 -6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 15 81.828 -17.670 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 15 83.439 -17.208 -4.833 1.00 0.00 H new ATOM 0 HD2 LYS A 15 82.102 -16.250 -2.692 1.00 0.00 H new ATOM 0 HD3 LYS A 15 80.913 -17.439 -3.186 1.00 0.00 H new ATOM 0 HE2 LYS A 15 82.803 -19.172 -3.263 1.00 0.00 H new ATOM 0 HE3 LYS A 15 83.859 -17.966 -2.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 82.870 -19.373 -0.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 82.330 -17.774 -0.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 81.307 -18.942 -1.354 1.00 0.00 H new ATOM 290 N LYS A 16 83.324 -12.829 -6.111 1.00 0.00 N ATOM 291 CA LYS A 16 83.994 -12.072 -7.158 1.00 0.00 C ATOM 292 C LYS A 16 83.621 -10.597 -7.078 1.00 0.00 C ATOM 293 O LYS A 16 82.529 -10.244 -6.641 1.00 0.00 O ATOM 294 CB LYS A 16 83.605 -12.622 -8.531 1.00 0.00 C ATOM 295 CG LYS A 16 84.420 -11.920 -9.618 1.00 0.00 C ATOM 296 CD LYS A 16 84.059 -12.505 -10.986 1.00 0.00 C ATOM 297 CE LYS A 16 84.946 -11.875 -12.061 1.00 0.00 C ATOM 298 NZ LYS A 16 84.672 -10.413 -12.141 1.00 0.00 N ATOM 0 H LYS A 16 82.394 -12.488 -5.868 1.00 0.00 H new ATOM 0 HA LYS A 16 85.070 -12.171 -7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 16 83.783 -13.697 -8.567 1.00 0.00 H new ATOM 0 HB3 LYS A 16 82.540 -12.469 -8.706 1.00 0.00 H new ATOM 0 HG2 LYS A 16 84.218 -10.849 -9.604 1.00 0.00 H new ATOM 0 HG3 LYS A 16 85.486 -12.046 -9.427 1.00 0.00 H new ATOM 0 HD2 LYS A 16 84.193 -13.587 -10.977 1.00 0.00 H new ATOM 0 HD3 LYS A 16 83.009 -12.315 -11.209 1.00 0.00 H new ATOM 0 HE2 LYS A 16 85.997 -12.046 -11.826 1.00 0.00 H new ATOM 0 HE3 LYS A 16 84.755 -12.344 -13.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 85.058 -10.036 -13.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 83.645 -10.250 -12.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 85.121 -9.931 -11.336 1.00 0.00 H new ATOM 312 N TRP A 17 84.551 -9.737 -7.484 1.00 0.00 N ATOM 313 CA TRP A 17 84.325 -8.298 -7.443 1.00 0.00 C ATOM 314 C TRP A 17 83.045 -7.927 -8.173 1.00 0.00 C ATOM 315 O TRP A 17 82.744 -8.472 -9.233 1.00 0.00 O ATOM 316 CB TRP A 17 85.503 -7.565 -8.080 1.00 0.00 C ATOM 317 CG TRP A 17 85.149 -6.121 -8.241 1.00 0.00 C ATOM 318 CD1 TRP A 17 85.059 -5.223 -7.234 1.00 0.00 C ATOM 319 CD2 TRP A 17 84.850 -5.390 -9.465 1.00 0.00 C ATOM 320 NE1 TRP A 17 84.724 -3.994 -7.762 1.00 0.00 N ATOM 321 CE2 TRP A 17 84.581 -4.045 -9.132 1.00 0.00 C ATOM 322 CE3 TRP A 17 84.785 -5.762 -10.821 1.00 0.00 C ATOM 323 CZ2 TRP A 17 84.258 -3.098 -10.104 1.00 0.00 C ATOM 324 CZ3 TRP A 17 84.460 -4.812 -11.804 1.00 0.00 C ATOM 325 CH2 TRP A 17 84.197 -3.482 -11.444 1.00 0.00 C ATOM 0 H TRP A 17 85.465 -10.012 -7.844 1.00 0.00 H new ATOM 0 HA TRP A 17 84.230 -8.001 -6.399 1.00 0.00 H new ATOM 0 HB2 TRP A 17 86.391 -7.668 -7.457 1.00 0.00 H new ATOM 0 HB3 TRP A 17 85.741 -8.005 -9.049 1.00 0.00 H new ATOM 0 HD1 TRP A 17 85.223 -5.434 -6.188 1.00 0.00 H new ATOM 0 HE1 TRP A 17 84.597 -3.149 -7.206 1.00 0.00 H new ATOM 0 HE3 TRP A 17 84.986 -6.784 -11.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 84.057 -2.075 -9.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 84.412 -5.107 -12.842 1.00 0.00 H new ATOM 0 HH2 TRP A 17 83.947 -2.756 -12.203 1.00 0.00 H new ATOM 336 N SER A 18 82.293 -6.995 -7.596 1.00 0.00 N ATOM 337 CA SER A 18 81.046 -6.555 -8.204 1.00 0.00 C ATOM 338 C SER A 18 80.573 -5.256 -7.560 1.00 0.00 C ATOM 339 O SER A 18 81.005 -4.904 -6.464 1.00 0.00 O ATOM 340 CB SER A 18 79.967 -7.632 -8.058 1.00 0.00 C ATOM 341 OG SER A 18 78.898 -7.337 -8.946 1.00 0.00 O ATOM 0 H SER A 18 82.524 -6.534 -6.716 1.00 0.00 H new ATOM 0 HA SER A 18 81.225 -6.381 -9.265 1.00 0.00 H new ATOM 0 HB2 SER A 18 80.383 -8.614 -8.282 1.00 0.00 H new ATOM 0 HB3 SER A 18 79.605 -7.666 -7.030 1.00 0.00 H new ATOM 0 HG SER A 18 78.203 -8.023 -8.861 1.00 0.00 H new ATOM 347 N GLU A 19 79.696 -4.543 -8.254 1.00 0.00 N ATOM 348 CA GLU A 19 79.190 -3.277 -7.741 1.00 0.00 C ATOM 349 C GLU A 19 78.775 -3.419 -6.284 1.00 0.00 C ATOM 350 O GLU A 19 78.916 -2.481 -5.491 1.00 0.00 O ATOM 351 CB GLU A 19 77.989 -2.823 -8.582 1.00 0.00 C ATOM 352 CG GLU A 19 76.843 -3.822 -8.408 1.00 0.00 C ATOM 353 CD GLU A 19 75.713 -3.504 -9.382 1.00 0.00 C ATOM 354 OE1 GLU A 19 75.861 -2.566 -10.146 1.00 0.00 O ATOM 355 OE2 GLU A 19 74.714 -4.206 -9.349 1.00 0.00 O ATOM 0 H GLU A 19 79.324 -4.815 -9.164 1.00 0.00 H new ATOM 0 HA GLU A 19 79.982 -2.531 -7.805 1.00 0.00 H new ATOM 0 HB2 GLU A 19 77.669 -1.828 -8.273 1.00 0.00 H new ATOM 0 HB3 GLU A 19 78.271 -2.755 -9.633 1.00 0.00 H new ATOM 0 HG2 GLU A 19 77.206 -4.836 -8.579 1.00 0.00 H new ATOM 0 HG3 GLU A 19 76.471 -3.785 -7.384 1.00 0.00 H new ATOM 362 N GLU A 20 78.278 -4.598 -5.927 1.00 0.00 N ATOM 363 CA GLU A 20 77.863 -4.841 -4.557 1.00 0.00 C ATOM 364 C GLU A 20 79.067 -4.841 -3.622 1.00 0.00 C ATOM 365 O GLU A 20 79.032 -4.239 -2.563 1.00 0.00 O ATOM 366 CB GLU A 20 77.145 -6.192 -4.469 1.00 0.00 C ATOM 367 CG GLU A 20 75.834 -6.127 -5.257 1.00 0.00 C ATOM 368 CD GLU A 20 74.857 -5.182 -4.570 1.00 0.00 C ATOM 369 OE1 GLU A 20 75.019 -4.957 -3.381 1.00 0.00 O ATOM 370 OE2 GLU A 20 73.964 -4.692 -5.240 1.00 0.00 O ATOM 0 H GLU A 20 78.155 -5.388 -6.560 1.00 0.00 H new ATOM 0 HA GLU A 20 77.185 -4.044 -4.252 1.00 0.00 H new ATOM 0 HB2 GLU A 20 77.782 -6.981 -4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 20 76.943 -6.441 -3.427 1.00 0.00 H new ATOM 0 HG2 GLU A 20 76.028 -5.786 -6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 20 75.397 -7.122 -5.333 1.00 0.00 H new ATOM 377 N ILE A 21 80.125 -5.532 -4.023 1.00 0.00 N ATOM 378 CA ILE A 21 81.319 -5.622 -3.190 1.00 0.00 C ATOM 379 C ILE A 21 81.962 -4.256 -3.082 1.00 0.00 C ATOM 380 O ILE A 21 82.164 -3.743 -1.976 1.00 0.00 O ATOM 381 CB ILE A 21 82.311 -6.626 -3.797 1.00 0.00 C ATOM 382 CG1 ILE A 21 81.533 -7.802 -4.396 1.00 0.00 C ATOM 383 CG2 ILE A 21 83.261 -7.154 -2.712 1.00 0.00 C ATOM 384 CD1 ILE A 21 80.455 -8.288 -3.420 1.00 0.00 C ATOM 0 H ILE A 21 80.183 -6.034 -4.909 1.00 0.00 H new ATOM 0 HA ILE A 21 81.039 -5.968 -2.195 1.00 0.00 H new ATOM 0 HB ILE A 21 82.894 -6.127 -4.571 1.00 0.00 H new ATOM 0 HG12 ILE A 21 81.071 -7.499 -5.335 1.00 0.00 H new ATOM 0 HG13 ILE A 21 82.217 -8.618 -4.627 1.00 0.00 H new ATOM 0 HG21 ILE A 21 83.959 -7.865 -3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 21 83.816 -6.322 -2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 21 82.683 -7.650 -1.933 1.00 0.00 H new ATOM 0 HD11 ILE A 21 79.913 -9.124 -3.863 1.00 0.00 H new ATOM 0 HD12 ILE A 21 80.924 -8.612 -2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 21 79.760 -7.475 -3.211 1.00 0.00 H new ATOM 396 N GLU A 22 82.292 -3.677 -4.229 1.00 0.00 N ATOM 397 CA GLU A 22 82.927 -2.372 -4.254 1.00 0.00 C ATOM 398 C GLU A 22 82.313 -1.479 -3.198 1.00 0.00 C ATOM 399 O GLU A 22 83.014 -0.827 -2.431 1.00 0.00 O ATOM 400 CB GLU A 22 82.753 -1.737 -5.642 1.00 0.00 C ATOM 401 CG GLU A 22 82.776 -0.207 -5.538 1.00 0.00 C ATOM 402 CD GLU A 22 81.393 0.315 -5.150 1.00 0.00 C ATOM 403 OE1 GLU A 22 80.413 -0.263 -5.594 1.00 0.00 O ATOM 404 OE2 GLU A 22 81.329 1.277 -4.405 1.00 0.00 O ATOM 0 H GLU A 22 82.131 -4.090 -5.148 1.00 0.00 H new ATOM 0 HA GLU A 22 83.990 -2.488 -4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 22 83.549 -2.075 -6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 22 81.811 -2.064 -6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 22 83.512 0.104 -4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 22 83.082 0.225 -6.491 1.00 0.00 H new ATOM 411 N ASN A 23 80.989 -1.450 -3.162 1.00 0.00 N ATOM 412 CA ASN A 23 80.295 -0.623 -2.188 1.00 0.00 C ATOM 413 C ASN A 23 80.662 -1.027 -0.765 1.00 0.00 C ATOM 414 O ASN A 23 81.031 -0.198 0.057 1.00 0.00 O ATOM 415 CB ASN A 23 78.793 -0.802 -2.360 1.00 0.00 C ATOM 416 CG ASN A 23 78.040 -0.046 -1.278 1.00 0.00 C ATOM 417 OD1 ASN A 23 77.454 1.002 -1.529 1.00 0.00 O ATOM 418 ND2 ASN A 23 78.015 -0.543 -0.084 1.00 0.00 N ATOM 0 H ASN A 23 80.382 -1.981 -3.786 1.00 0.00 H new ATOM 0 HA ASN A 23 80.588 0.414 -2.352 1.00 0.00 H new ATOM 0 HB2 ASN A 23 78.488 -0.442 -3.343 1.00 0.00 H new ATOM 0 HB3 ASN A 23 78.539 -1.861 -2.316 1.00 0.00 H new ATOM 0 HD21 ASN A 23 77.505 -0.063 0.658 1.00 0.00 H new ATOM 0 HD22 ASN A 23 78.505 -1.415 0.116 1.00 0.00 H new ATOM 425 N LEU A 24 80.573 -2.311 -0.478 1.00 0.00 N ATOM 426 CA LEU A 24 80.879 -2.791 0.862 1.00 0.00 C ATOM 427 C LEU A 24 82.254 -2.334 1.297 1.00 0.00 C ATOM 428 O LEU A 24 82.404 -1.806 2.379 1.00 0.00 O ATOM 429 CB LEU A 24 80.809 -4.319 0.906 1.00 0.00 C ATOM 430 CG LEU A 24 79.412 -4.772 1.355 1.00 0.00 C ATOM 431 CD1 LEU A 24 79.198 -4.427 2.833 1.00 0.00 C ATOM 432 CD2 LEU A 24 78.349 -4.064 0.517 1.00 0.00 C ATOM 0 H LEU A 24 80.296 -3.034 -1.142 1.00 0.00 H new ATOM 0 HA LEU A 24 80.139 -2.376 1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 24 81.034 -4.729 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 24 81.563 -4.705 1.592 1.00 0.00 H new ATOM 0 HG LEU A 24 79.331 -5.851 1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 24 78.205 -4.752 3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 24 79.950 -4.934 3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 24 79.287 -3.350 2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.358 -4.387 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.440 -2.986 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.489 -4.313 -0.535 1.00 0.00 H new ATOM 444 N TYR A 25 83.243 -2.524 0.449 1.00 0.00 N ATOM 445 CA TYR A 25 84.596 -2.108 0.778 1.00 0.00 C ATOM 446 C TYR A 25 84.664 -0.613 1.049 1.00 0.00 C ATOM 447 O TYR A 25 85.241 -0.182 2.046 1.00 0.00 O ATOM 448 CB TYR A 25 85.533 -2.458 -0.374 1.00 0.00 C ATOM 449 CG TYR A 25 86.873 -1.794 -0.157 1.00 0.00 C ATOM 450 CD1 TYR A 25 87.716 -2.226 0.874 1.00 0.00 C ATOM 451 CD2 TYR A 25 87.275 -0.743 -0.994 1.00 0.00 C ATOM 452 CE1 TYR A 25 88.957 -1.609 1.069 1.00 0.00 C ATOM 453 CE2 TYR A 25 88.516 -0.127 -0.798 1.00 0.00 C ATOM 454 CZ TYR A 25 89.356 -0.559 0.235 1.00 0.00 C ATOM 455 OH TYR A 25 90.579 0.050 0.428 1.00 0.00 O ATOM 0 H TYR A 25 83.140 -2.960 -0.467 1.00 0.00 H new ATOM 0 HA TYR A 25 84.902 -2.634 1.682 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.658 -3.539 -0.439 1.00 0.00 H new ATOM 0 HB3 TYR A 25 85.102 -2.129 -1.320 1.00 0.00 H new ATOM 0 HD1 TYR A 25 87.408 -3.036 1.519 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.626 -0.409 -1.790 1.00 0.00 H new ATOM 0 HE1 TYR A 25 89.607 -1.944 1.864 1.00 0.00 H new ATOM 0 HE2 TYR A 25 88.826 0.682 -1.444 1.00 0.00 H new ATOM 0 HH TYR A 25 90.700 0.759 -0.238 1.00 0.00 H new ATOM 465 N ARG A 26 84.089 0.177 0.153 1.00 0.00 N ATOM 466 CA ARG A 26 84.117 1.626 0.313 1.00 0.00 C ATOM 467 C ARG A 26 83.427 2.050 1.604 1.00 0.00 C ATOM 468 O ARG A 26 83.979 2.833 2.378 1.00 0.00 O ATOM 469 CB ARG A 26 83.414 2.291 -0.873 1.00 0.00 C ATOM 470 CG ARG A 26 84.262 2.140 -2.140 1.00 0.00 C ATOM 471 CD ARG A 26 83.715 3.058 -3.233 1.00 0.00 C ATOM 472 NE ARG A 26 84.436 2.836 -4.481 1.00 0.00 N ATOM 473 CZ ARG A 26 84.359 3.705 -5.481 1.00 0.00 C ATOM 474 NH1 ARG A 26 83.635 4.781 -5.355 1.00 0.00 N ATOM 475 NH2 ARG A 26 85.008 3.482 -6.590 1.00 0.00 N ATOM 0 H ARG A 26 83.604 -0.153 -0.681 1.00 0.00 H new ATOM 0 HA ARG A 26 85.160 1.941 0.355 1.00 0.00 H new ATOM 0 HB2 ARG A 26 82.434 1.838 -1.026 1.00 0.00 H new ATOM 0 HB3 ARG A 26 83.247 3.347 -0.661 1.00 0.00 H new ATOM 0 HG2 ARG A 26 85.301 2.390 -1.927 1.00 0.00 H new ATOM 0 HG3 ARG A 26 84.247 1.104 -2.479 1.00 0.00 H new ATOM 0 HD2 ARG A 26 82.652 2.868 -3.380 1.00 0.00 H new ATOM 0 HD3 ARG A 26 83.814 4.100 -2.927 1.00 0.00 H new ATOM 0 HE ARG A 26 85.009 1.999 -4.587 1.00 0.00 H new ATOM 0 HH11 ARG A 26 83.127 4.955 -4.488 1.00 0.00 H new ATOM 0 HH12 ARG A 26 83.576 5.449 -6.124 1.00 0.00 H new ATOM 0 HH21 ARG A 26 85.575 2.640 -6.689 1.00 0.00 H new ATOM 0 HH22 ARG A 26 84.949 4.150 -7.359 1.00 0.00 H new ATOM 489 N PHE A 27 82.231 1.525 1.844 1.00 0.00 N ATOM 490 CA PHE A 27 81.500 1.866 3.059 1.00 0.00 C ATOM 491 C PHE A 27 82.222 1.317 4.287 1.00 0.00 C ATOM 492 O PHE A 27 82.375 2.008 5.295 1.00 0.00 O ATOM 493 CB PHE A 27 80.070 1.325 2.975 1.00 0.00 C ATOM 494 CG PHE A 27 79.222 2.277 2.153 1.00 0.00 C ATOM 495 CD1 PHE A 27 79.197 2.189 0.754 1.00 0.00 C ATOM 496 CD2 PHE A 27 78.458 3.256 2.789 1.00 0.00 C ATOM 497 CE1 PHE A 27 78.413 3.063 0.004 1.00 0.00 C ATOM 498 CE2 PHE A 27 77.673 4.133 2.028 1.00 0.00 C ATOM 499 CZ PHE A 27 77.651 4.033 0.640 1.00 0.00 C ATOM 0 H PHE A 27 81.752 0.871 1.224 1.00 0.00 H new ATOM 0 HA PHE A 27 81.454 2.951 3.155 1.00 0.00 H new ATOM 0 HB2 PHE A 27 80.070 0.334 2.520 1.00 0.00 H new ATOM 0 HB3 PHE A 27 79.650 1.217 3.975 1.00 0.00 H new ATOM 0 HD1 PHE A 27 79.790 1.438 0.254 1.00 0.00 H new ATOM 0 HD2 PHE A 27 78.471 3.338 3.866 1.00 0.00 H new ATOM 0 HE1 PHE A 27 78.398 2.986 -1.073 1.00 0.00 H new ATOM 0 HE2 PHE A 27 77.082 4.890 2.521 1.00 0.00 H new ATOM 0 HZ PHE A 27 77.042 4.709 0.059 1.00 0.00 H new ATOM 509 N GLN A 28 82.668 0.073 4.188 1.00 0.00 N ATOM 510 CA GLN A 28 83.379 -0.564 5.289 1.00 0.00 C ATOM 511 C GLN A 28 84.576 0.285 5.681 1.00 0.00 C ATOM 512 O GLN A 28 84.844 0.486 6.864 1.00 0.00 O ATOM 513 CB GLN A 28 83.847 -1.963 4.880 1.00 0.00 C ATOM 514 CG GLN A 28 82.691 -2.963 5.012 1.00 0.00 C ATOM 515 CD GLN A 28 83.155 -4.347 4.573 1.00 0.00 C ATOM 516 OE1 GLN A 28 84.347 -4.647 4.623 1.00 0.00 O ATOM 517 NE2 GLN A 28 82.281 -5.216 4.152 1.00 0.00 N ATOM 0 H GLN A 28 82.551 -0.513 3.362 1.00 0.00 H new ATOM 0 HA GLN A 28 82.704 -0.656 6.140 1.00 0.00 H new ATOM 0 HB2 GLN A 28 84.210 -1.948 3.852 1.00 0.00 H new ATOM 0 HB3 GLN A 28 84.682 -2.274 5.508 1.00 0.00 H new ATOM 0 HG2 GLN A 28 82.343 -2.996 6.044 1.00 0.00 H new ATOM 0 HG3 GLN A 28 81.848 -2.641 4.401 1.00 0.00 H new ATOM 0 HE21 GLN A 28 81.293 -4.967 4.111 1.00 0.00 H new ATOM 0 HE22 GLN A 28 82.585 -6.146 3.863 1.00 0.00 H new ATOM 526 N GLN A 29 85.271 0.812 4.682 1.00 0.00 N ATOM 527 CA GLN A 29 86.421 1.673 4.932 1.00 0.00 C ATOM 528 C GLN A 29 85.980 2.947 5.644 1.00 0.00 C ATOM 529 O GLN A 29 86.680 3.455 6.519 1.00 0.00 O ATOM 530 CB GLN A 29 87.112 2.022 3.617 1.00 0.00 C ATOM 531 CG GLN A 29 87.887 0.805 3.111 1.00 0.00 C ATOM 532 CD GLN A 29 89.155 0.620 3.934 1.00 0.00 C ATOM 533 OE1 GLN A 29 89.130 -0.024 4.983 1.00 0.00 O ATOM 534 NE2 GLN A 29 90.274 1.147 3.515 1.00 0.00 N ATOM 0 H GLN A 29 85.061 0.660 3.696 1.00 0.00 H new ATOM 0 HA GLN A 29 87.125 1.139 5.570 1.00 0.00 H new ATOM 0 HB2 GLN A 29 86.374 2.330 2.876 1.00 0.00 H new ATOM 0 HB3 GLN A 29 87.789 2.864 3.762 1.00 0.00 H new ATOM 0 HG2 GLN A 29 87.265 -0.087 3.179 1.00 0.00 H new ATOM 0 HG3 GLN A 29 88.141 0.936 2.059 1.00 0.00 H new ATOM 0 HE21 GLN A 29 90.293 1.680 2.646 1.00 0.00 H new ATOM 0 HE22 GLN A 29 91.129 1.025 4.057 1.00 0.00 H new ATOM 543 N ALA A 30 84.813 3.463 5.264 1.00 0.00 N ATOM 544 CA ALA A 30 84.284 4.679 5.873 1.00 0.00 C ATOM 545 C ALA A 30 83.926 4.430 7.336 1.00 0.00 C ATOM 546 O ALA A 30 83.755 5.370 8.111 1.00 0.00 O ATOM 547 CB ALA A 30 83.043 5.149 5.113 1.00 0.00 C ATOM 0 H ALA A 30 84.219 3.059 4.540 1.00 0.00 H new ATOM 0 HA ALA A 30 85.051 5.452 5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 30 82.656 6.057 5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 30 83.308 5.354 4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 30 82.280 4.371 5.146 1.00 0.00 H new ATOM 553 N GLY A 31 83.812 3.158 7.703 1.00 0.00 N ATOM 554 CA GLY A 31 83.469 2.798 9.072 1.00 0.00 C ATOM 555 C GLY A 31 82.006 2.381 9.182 1.00 0.00 C ATOM 556 O GLY A 31 81.487 2.199 10.283 1.00 0.00 O ATOM 0 H GLY A 31 83.951 2.365 7.076 1.00 0.00 H new ATOM 0 HA2 GLY A 31 84.109 1.982 9.407 1.00 0.00 H new ATOM 0 HA3 GLY A 31 83.659 3.644 9.732 1.00 0.00 H new ATOM 560 N TYR A 32 81.340 2.234 8.035 1.00 0.00 N ATOM 561 CA TYR A 32 79.944 1.847 8.012 1.00 0.00 C ATOM 562 C TYR A 32 79.783 0.429 7.482 1.00 0.00 C ATOM 563 O TYR A 32 80.538 -0.014 6.621 1.00 0.00 O ATOM 564 CB TYR A 32 79.170 2.808 7.116 1.00 0.00 C ATOM 565 CG TYR A 32 79.392 4.235 7.574 1.00 0.00 C ATOM 566 CD1 TYR A 32 79.148 4.605 8.906 1.00 0.00 C ATOM 567 CD2 TYR A 32 79.861 5.191 6.663 1.00 0.00 C ATOM 568 CE1 TYR A 32 79.375 5.918 9.320 1.00 0.00 C ATOM 569 CE2 TYR A 32 80.085 6.505 7.085 1.00 0.00 C ATOM 570 CZ TYR A 32 79.845 6.867 8.411 1.00 0.00 C ATOM 571 OH TYR A 32 80.064 8.166 8.822 1.00 0.00 O ATOM 0 H TYR A 32 81.753 2.379 7.114 1.00 0.00 H new ATOM 0 HA TYR A 32 79.556 1.885 9.030 1.00 0.00 H new ATOM 0 HB2 TYR A 32 79.494 2.695 6.081 1.00 0.00 H new ATOM 0 HB3 TYR A 32 78.107 2.569 7.145 1.00 0.00 H new ATOM 0 HD1 TYR A 32 78.784 3.872 9.611 1.00 0.00 H new ATOM 0 HD2 TYR A 32 80.049 4.913 5.636 1.00 0.00 H new ATOM 0 HE1 TYR A 32 79.187 6.200 10.345 1.00 0.00 H new ATOM 0 HE2 TYR A 32 80.445 7.242 6.382 1.00 0.00 H new ATOM 0 HH TYR A 32 80.392 8.697 8.066 1.00 0.00 H new ATOM 581 N ARG A 33 78.784 -0.273 8.003 1.00 0.00 N ATOM 582 CA ARG A 33 78.521 -1.640 7.572 1.00 0.00 C ATOM 583 C ARG A 33 77.859 -1.642 6.200 1.00 0.00 C ATOM 584 O ARG A 33 78.110 -2.523 5.378 1.00 0.00 O ATOM 585 CB ARG A 33 77.624 -2.354 8.586 1.00 0.00 C ATOM 586 CG ARG A 33 76.516 -1.407 9.047 1.00 0.00 C ATOM 587 CD ARG A 33 76.858 -0.856 10.432 1.00 0.00 C ATOM 588 NE ARG A 33 76.941 -1.945 11.398 1.00 0.00 N ATOM 589 CZ ARG A 33 75.848 -2.429 11.980 1.00 0.00 C ATOM 590 NH1 ARG A 33 74.678 -1.931 11.689 1.00 0.00 N ATOM 591 NH2 ARG A 33 75.947 -3.405 12.842 1.00 0.00 N ATOM 0 H ARG A 33 78.148 0.078 8.719 1.00 0.00 H new ATOM 0 HA ARG A 33 79.470 -2.171 7.507 1.00 0.00 H new ATOM 0 HB2 ARG A 33 77.189 -3.247 8.137 1.00 0.00 H new ATOM 0 HB3 ARG A 33 78.215 -2.683 9.441 1.00 0.00 H new ATOM 0 HG2 ARG A 33 76.404 -0.588 8.336 1.00 0.00 H new ATOM 0 HG3 ARG A 33 75.563 -1.934 9.079 1.00 0.00 H new ATOM 0 HD2 ARG A 33 77.806 -0.320 10.395 1.00 0.00 H new ATOM 0 HD3 ARG A 33 76.099 -0.139 10.745 1.00 0.00 H new ATOM 0 HE ARG A 33 77.851 -2.342 11.631 1.00 0.00 H new ATOM 0 HH11 ARG A 33 74.601 -1.170 11.014 1.00 0.00 H new ATOM 0 HH12 ARG A 33 73.840 -2.303 12.136 1.00 0.00 H new ATOM 0 HH21 ARG A 33 76.862 -3.795 13.068 1.00 0.00 H new ATOM 0 HH22 ARG A 33 75.109 -3.777 13.289 1.00 0.00 H new ATOM 605 N ASP A 34 77.008 -0.648 5.957 1.00 0.00 N ATOM 606 CA ASP A 34 76.309 -0.533 4.683 1.00 0.00 C ATOM 607 C ASP A 34 75.740 0.869 4.515 1.00 0.00 C ATOM 608 O ASP A 34 75.764 1.677 5.444 1.00 0.00 O ATOM 609 CB ASP A 34 75.185 -1.569 4.600 1.00 0.00 C ATOM 610 CG ASP A 34 74.264 -1.264 3.428 1.00 0.00 C ATOM 611 OD1 ASP A 34 74.543 -1.731 2.337 1.00 0.00 O ATOM 612 OD2 ASP A 34 73.297 -0.553 3.638 1.00 0.00 O ATOM 0 H ASP A 34 76.787 0.089 6.627 1.00 0.00 H new ATOM 0 HA ASP A 34 77.021 -0.720 3.879 1.00 0.00 H new ATOM 0 HB2 ASP A 34 75.610 -2.566 4.486 1.00 0.00 H new ATOM 0 HB3 ASP A 34 74.614 -1.570 5.528 1.00 0.00 H new ATOM 617 N GLU A 35 75.242 1.148 3.319 1.00 0.00 N ATOM 618 CA GLU A 35 74.674 2.454 3.021 1.00 0.00 C ATOM 619 C GLU A 35 73.659 2.850 4.083 1.00 0.00 C ATOM 620 O GLU A 35 73.444 4.034 4.334 1.00 0.00 O ATOM 621 CB GLU A 35 73.997 2.445 1.647 1.00 0.00 C ATOM 622 CG GLU A 35 73.002 1.286 1.571 1.00 0.00 C ATOM 623 CD GLU A 35 72.118 1.433 0.340 1.00 0.00 C ATOM 624 OE1 GLU A 35 71.592 2.515 0.139 1.00 0.00 O ATOM 625 OE2 GLU A 35 71.976 0.460 -0.382 1.00 0.00 O ATOM 0 H GLU A 35 75.220 0.489 2.541 1.00 0.00 H new ATOM 0 HA GLU A 35 75.486 3.181 3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 35 73.482 3.391 1.478 1.00 0.00 H new ATOM 0 HB3 GLU A 35 74.747 2.346 0.862 1.00 0.00 H new ATOM 0 HG2 GLU A 35 73.539 0.338 1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 35 72.386 1.266 2.470 1.00 0.00 H new ATOM 632 N ILE A 36 73.023 1.853 4.701 1.00 0.00 N ATOM 633 CA ILE A 36 72.023 2.129 5.723 1.00 0.00 C ATOM 634 C ILE A 36 72.621 2.929 6.876 1.00 0.00 C ATOM 635 O ILE A 36 72.060 3.944 7.302 1.00 0.00 O ATOM 636 CB ILE A 36 71.477 0.802 6.259 1.00 0.00 C ATOM 637 CG1 ILE A 36 70.624 0.118 5.185 1.00 0.00 C ATOM 638 CG2 ILE A 36 70.620 1.063 7.498 1.00 0.00 C ATOM 639 CD1 ILE A 36 70.337 -1.330 5.599 1.00 0.00 C ATOM 0 H ILE A 36 73.182 0.863 4.513 1.00 0.00 H new ATOM 0 HA ILE A 36 71.223 2.718 5.275 1.00 0.00 H new ATOM 0 HB ILE A 36 72.312 0.153 6.523 1.00 0.00 H new ATOM 0 HG12 ILE A 36 69.688 0.660 5.050 1.00 0.00 H new ATOM 0 HG13 ILE A 36 71.144 0.136 4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 36 70.232 0.118 7.878 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.227 1.541 8.266 1.00 0.00 H new ATOM 0 HG23 ILE A 36 69.788 1.716 7.234 1.00 0.00 H new ATOM 0 HD11 ILE A 36 69.730 -1.814 4.834 1.00 0.00 H new ATOM 0 HD12 ILE A 36 71.277 -1.869 5.711 1.00 0.00 H new ATOM 0 HD13 ILE A 36 69.799 -1.338 6.547 1.00 0.00 H new ATOM 651 N GLU A 37 73.758 2.473 7.377 1.00 0.00 N ATOM 652 CA GLU A 37 74.419 3.154 8.485 1.00 0.00 C ATOM 653 C GLU A 37 74.917 4.532 8.051 1.00 0.00 C ATOM 654 O GLU A 37 74.834 5.500 8.804 1.00 0.00 O ATOM 655 CB GLU A 37 75.592 2.318 8.992 1.00 0.00 C ATOM 656 CG GLU A 37 76.088 2.884 10.322 1.00 0.00 C ATOM 657 CD GLU A 37 75.056 2.629 11.413 1.00 0.00 C ATOM 658 OE1 GLU A 37 75.129 1.582 12.036 1.00 0.00 O ATOM 659 OE2 GLU A 37 74.202 3.479 11.606 1.00 0.00 O ATOM 0 H GLU A 37 74.241 1.641 7.039 1.00 0.00 H new ATOM 0 HA GLU A 37 73.694 3.281 9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.284 1.280 9.119 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.399 2.323 8.259 1.00 0.00 H new ATOM 0 HG2 GLU A 37 77.037 2.421 10.592 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.271 3.954 10.226 1.00 0.00 H new ATOM 666 N TYR A 38 75.435 4.609 6.832 1.00 0.00 N ATOM 667 CA TYR A 38 75.940 5.870 6.306 1.00 0.00 C ATOM 668 C TYR A 38 74.851 6.931 6.268 1.00 0.00 C ATOM 669 O TYR A 38 75.068 8.063 6.701 1.00 0.00 O ATOM 670 CB TYR A 38 76.483 5.665 4.901 1.00 0.00 C ATOM 671 CG TYR A 38 76.698 7.010 4.240 1.00 0.00 C ATOM 672 CD1 TYR A 38 77.673 7.886 4.727 1.00 0.00 C ATOM 673 CD2 TYR A 38 75.918 7.380 3.134 1.00 0.00 C ATOM 674 CE1 TYR A 38 77.864 9.131 4.115 1.00 0.00 C ATOM 675 CE2 TYR A 38 76.114 8.624 2.522 1.00 0.00 C ATOM 676 CZ TYR A 38 77.086 9.499 3.013 1.00 0.00 C ATOM 677 OH TYR A 38 77.279 10.727 2.413 1.00 0.00 O ATOM 0 H TYR A 38 75.516 3.818 6.193 1.00 0.00 H new ATOM 0 HA TYR A 38 76.735 6.211 6.969 1.00 0.00 H new ATOM 0 HB2 TYR A 38 77.422 5.113 4.940 1.00 0.00 H new ATOM 0 HB3 TYR A 38 75.786 5.067 4.314 1.00 0.00 H new ATOM 0 HD1 TYR A 38 78.279 7.602 5.575 1.00 0.00 H new ATOM 0 HD2 TYR A 38 75.166 6.705 2.754 1.00 0.00 H new ATOM 0 HE1 TYR A 38 78.614 9.809 4.495 1.00 0.00 H new ATOM 0 HE2 TYR A 38 75.514 8.907 1.670 1.00 0.00 H new ATOM 0 HH TYR A 38 76.658 10.825 1.661 1.00 0.00 H new ATOM 687 N LYS A 39 73.688 6.566 5.745 1.00 0.00 N ATOM 688 CA LYS A 39 72.582 7.504 5.652 1.00 0.00 C ATOM 689 C LYS A 39 72.170 7.998 7.030 1.00 0.00 C ATOM 690 O LYS A 39 71.871 9.178 7.209 1.00 0.00 O ATOM 691 CB LYS A 39 71.389 6.833 4.975 1.00 0.00 C ATOM 692 CG LYS A 39 71.644 6.724 3.468 1.00 0.00 C ATOM 693 CD LYS A 39 70.417 6.116 2.776 1.00 0.00 C ATOM 694 CE LYS A 39 70.541 4.595 2.742 1.00 0.00 C ATOM 695 NZ LYS A 39 69.376 4.016 2.017 1.00 0.00 N ATOM 0 H LYS A 39 73.489 5.634 5.382 1.00 0.00 H new ATOM 0 HA LYS A 39 72.909 8.359 5.060 1.00 0.00 H new ATOM 0 HB2 LYS A 39 71.228 5.842 5.399 1.00 0.00 H new ATOM 0 HB3 LYS A 39 70.482 7.409 5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.856 7.710 3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 39 72.522 6.105 3.282 1.00 0.00 H new ATOM 0 HD2 LYS A 39 69.509 6.404 3.307 1.00 0.00 H new ATOM 0 HD3 LYS A 39 70.330 6.505 1.762 1.00 0.00 H new ATOM 0 HE2 LYS A 39 71.469 4.306 2.249 1.00 0.00 H new ATOM 0 HE3 LYS A 39 70.583 4.200 3.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 68.806 3.446 2.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 68.792 4.784 1.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 69.715 3.413 1.241 1.00 0.00 H new ATOM 709 N GLN A 40 72.162 7.095 8.002 1.00 0.00 N ATOM 710 CA GLN A 40 71.789 7.466 9.360 1.00 0.00 C ATOM 711 C GLN A 40 72.770 8.487 9.934 1.00 0.00 C ATOM 712 O GLN A 40 72.370 9.445 10.592 1.00 0.00 O ATOM 713 CB GLN A 40 71.769 6.223 10.249 1.00 0.00 C ATOM 714 CG GLN A 40 70.576 5.344 9.875 1.00 0.00 C ATOM 715 CD GLN A 40 70.563 4.085 10.735 1.00 0.00 C ATOM 716 OE1 GLN A 40 71.525 3.319 10.731 1.00 0.00 O ATOM 717 NE2 GLN A 40 69.523 3.827 11.482 1.00 0.00 N ATOM 0 H GLN A 40 72.406 6.112 7.878 1.00 0.00 H new ATOM 0 HA GLN A 40 70.796 7.915 9.332 1.00 0.00 H new ATOM 0 HB2 GLN A 40 72.697 5.664 10.130 1.00 0.00 H new ATOM 0 HB3 GLN A 40 71.704 6.514 11.297 1.00 0.00 H new ATOM 0 HG2 GLN A 40 69.648 5.899 10.014 1.00 0.00 H new ATOM 0 HG3 GLN A 40 70.630 5.073 8.821 1.00 0.00 H new ATOM 0 HE21 GLN A 40 68.726 4.464 11.484 1.00 0.00 H new ATOM 0 HE22 GLN A 40 69.508 2.989 12.063 1.00 0.00 H new ATOM 726 N VAL A 41 74.055 8.275 9.678 1.00 0.00 N ATOM 727 CA VAL A 41 75.083 9.182 10.185 1.00 0.00 C ATOM 728 C VAL A 41 74.928 10.576 9.588 1.00 0.00 C ATOM 729 O VAL A 41 75.013 11.577 10.299 1.00 0.00 O ATOM 730 CB VAL A 41 76.467 8.632 9.850 1.00 0.00 C ATOM 731 CG1 VAL A 41 77.530 9.669 10.212 1.00 0.00 C ATOM 732 CG2 VAL A 41 76.712 7.347 10.645 1.00 0.00 C ATOM 0 H VAL A 41 74.410 7.492 9.129 1.00 0.00 H new ATOM 0 HA VAL A 41 74.968 9.257 11.266 1.00 0.00 H new ATOM 0 HB VAL A 41 76.523 8.414 8.783 1.00 0.00 H new ATOM 0 HG11 VAL A 41 78.518 9.276 9.973 1.00 0.00 H new ATOM 0 HG12 VAL A 41 77.355 10.583 9.644 1.00 0.00 H new ATOM 0 HG13 VAL A 41 77.476 9.889 11.278 1.00 0.00 H new ATOM 0 HG21 VAL A 41 77.700 6.954 10.406 1.00 0.00 H new ATOM 0 HG22 VAL A 41 76.656 7.563 11.712 1.00 0.00 H new ATOM 0 HG23 VAL A 41 75.955 6.608 10.384 1.00 0.00 H new ATOM 742 N LYS A 42 74.699 10.632 8.285 1.00 0.00 N ATOM 743 CA LYS A 42 74.533 11.906 7.603 1.00 0.00 C ATOM 744 C LYS A 42 73.067 12.308 7.560 1.00 0.00 C ATOM 745 O LYS A 42 72.724 13.370 7.042 1.00 0.00 O ATOM 746 CB LYS A 42 75.087 11.814 6.181 1.00 0.00 C ATOM 747 CG LYS A 42 76.616 11.737 6.218 1.00 0.00 C ATOM 748 CD LYS A 42 77.213 13.148 6.299 1.00 0.00 C ATOM 749 CE LYS A 42 78.724 13.075 6.106 1.00 0.00 C ATOM 750 NZ LYS A 42 79.023 12.679 4.701 1.00 0.00 N ATOM 0 H LYS A 42 74.624 9.814 7.681 1.00 0.00 H new ATOM 0 HA LYS A 42 75.085 12.666 8.157 1.00 0.00 H new ATOM 0 HB2 LYS A 42 74.682 10.934 5.681 1.00 0.00 H new ATOM 0 HB3 LYS A 42 74.772 12.683 5.603 1.00 0.00 H new ATOM 0 HG2 LYS A 42 76.938 11.148 7.077 1.00 0.00 H new ATOM 0 HG3 LYS A 42 76.984 11.229 5.327 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.769 13.786 5.535 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.981 13.597 7.264 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.177 14.041 6.328 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.156 12.353 6.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 79.706 13.347 4.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 79.426 11.720 4.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 78.146 12.693 4.142 1.00 0.00 H new ATOM 764 N GLN A 43 72.205 11.457 8.107 1.00 0.00 N ATOM 765 CA GLN A 43 70.776 11.745 8.121 1.00 0.00 C ATOM 766 C GLN A 43 70.287 12.124 6.727 1.00 0.00 C ATOM 767 O GLN A 43 69.588 13.123 6.556 1.00 0.00 O ATOM 768 CB GLN A 43 70.480 12.886 9.092 1.00 0.00 C ATOM 769 CG GLN A 43 70.701 12.405 10.525 1.00 0.00 C ATOM 770 CD GLN A 43 70.608 13.581 11.489 1.00 0.00 C ATOM 771 OE1 GLN A 43 70.937 14.710 11.125 1.00 0.00 O ATOM 772 NE2 GLN A 43 70.175 13.385 12.704 1.00 0.00 N ATOM 0 H GLN A 43 72.467 10.572 8.542 1.00 0.00 H new ATOM 0 HA GLN A 43 70.251 10.846 8.445 1.00 0.00 H new ATOM 0 HB2 GLN A 43 71.127 13.737 8.879 1.00 0.00 H new ATOM 0 HB3 GLN A 43 69.453 13.228 8.966 1.00 0.00 H new ATOM 0 HG2 GLN A 43 69.956 11.652 10.784 1.00 0.00 H new ATOM 0 HG3 GLN A 43 71.678 11.930 10.611 1.00 0.00 H new ATOM 0 HE21 GLN A 43 69.903 12.449 13.004 1.00 0.00 H new ATOM 0 HE22 GLN A 43 70.109 14.168 13.354 1.00 0.00 H new ATOM 781 N VAL A 44 70.654 11.317 5.736 1.00 0.00 N ATOM 782 CA VAL A 44 70.253 11.569 4.353 1.00 0.00 C ATOM 783 C VAL A 44 69.603 10.328 3.754 1.00 0.00 C ATOM 784 O VAL A 44 69.369 9.342 4.449 1.00 0.00 O ATOM 785 CB VAL A 44 71.464 11.972 3.508 1.00 0.00 C ATOM 786 CG1 VAL A 44 72.022 13.305 4.010 1.00 0.00 C ATOM 787 CG2 VAL A 44 72.541 10.895 3.621 1.00 0.00 C ATOM 0 H VAL A 44 71.228 10.483 5.863 1.00 0.00 H new ATOM 0 HA VAL A 44 69.532 12.386 4.352 1.00 0.00 H new ATOM 0 HB VAL A 44 71.160 12.078 2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 44 72.884 13.589 3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 44 71.254 14.074 3.930 1.00 0.00 H new ATOM 0 HG13 VAL A 44 72.326 13.203 5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 44 73.405 11.180 3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 44 72.843 10.790 4.663 1.00 0.00 H new ATOM 0 HG23 VAL A 44 72.145 9.945 3.261 1.00 0.00 H new ATOM 797 N ALA A 45 69.302 10.392 2.463 1.00 0.00 N ATOM 798 CA ALA A 45 68.669 9.269 1.779 1.00 0.00 C ATOM 799 C ALA A 45 69.232 9.106 0.372 1.00 0.00 C ATOM 800 O ALA A 45 68.582 8.542 -0.507 1.00 0.00 O ATOM 801 CB ALA A 45 67.157 9.488 1.707 1.00 0.00 C ATOM 0 H ALA A 45 69.484 11.203 1.871 1.00 0.00 H new ATOM 0 HA ALA A 45 68.878 8.361 2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 45 66.691 8.646 1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 45 66.753 9.568 2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 45 66.948 10.406 1.158 1.00 0.00 H new ATOM 807 N MET A 46 70.445 9.609 0.165 1.00 0.00 N ATOM 808 CA MET A 46 71.087 9.515 -1.140 1.00 0.00 C ATOM 809 C MET A 46 72.598 9.663 -1.012 1.00 0.00 C ATOM 810 O MET A 46 73.082 10.487 -0.235 1.00 0.00 O ATOM 811 CB MET A 46 70.547 10.607 -2.068 1.00 0.00 C ATOM 812 CG MET A 46 69.678 9.976 -3.159 1.00 0.00 C ATOM 813 SD MET A 46 69.149 11.254 -4.327 1.00 0.00 S ATOM 814 CE MET A 46 70.590 11.171 -5.423 1.00 0.00 C ATOM 0 H MET A 46 70.999 10.082 0.879 1.00 0.00 H new ATOM 0 HA MET A 46 70.864 8.534 -1.559 1.00 0.00 H new ATOM 0 HB2 MET A 46 69.962 11.327 -1.496 1.00 0.00 H new ATOM 0 HB3 MET A 46 71.374 11.155 -2.520 1.00 0.00 H new ATOM 0 HG2 MET A 46 70.238 9.201 -3.682 1.00 0.00 H new ATOM 0 HG3 MET A 46 68.808 9.494 -2.712 1.00 0.00 H new ATOM 0 HE1 MET A 46 70.473 11.891 -6.233 1.00 0.00 H new ATOM 0 HE2 MET A 46 71.492 11.404 -4.857 1.00 0.00 H new ATOM 0 HE3 MET A 46 70.673 10.167 -5.840 1.00 0.00 H new ATOM 824 N VAL A 47 73.337 8.863 -1.776 1.00 0.00 N ATOM 825 CA VAL A 47 74.794 8.917 -1.736 1.00 0.00 C ATOM 826 C VAL A 47 75.332 9.463 -3.055 1.00 0.00 C ATOM 827 O VAL A 47 74.871 9.078 -4.127 1.00 0.00 O ATOM 828 CB VAL A 47 75.362 7.520 -1.489 1.00 0.00 C ATOM 829 CG1 VAL A 47 76.852 7.626 -1.162 1.00 0.00 C ATOM 830 CG2 VAL A 47 74.617 6.871 -0.324 1.00 0.00 C ATOM 0 H VAL A 47 72.954 8.175 -2.425 1.00 0.00 H new ATOM 0 HA VAL A 47 75.099 9.577 -0.924 1.00 0.00 H new ATOM 0 HB VAL A 47 75.236 6.908 -2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 47 77.258 6.630 -0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 47 77.376 8.088 -1.998 1.00 0.00 H new ATOM 0 HG13 VAL A 47 76.986 8.236 -0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 47 75.020 5.874 -0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 47 74.742 7.479 0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 47 73.557 6.796 -0.567 1.00 0.00 H new ATOM 840 N ASP A 48 76.294 10.377 -2.969 1.00 0.00 N ATOM 841 CA ASP A 48 76.874 10.980 -4.164 1.00 0.00 C ATOM 842 C ASP A 48 77.661 9.943 -4.956 1.00 0.00 C ATOM 843 O ASP A 48 78.631 9.372 -4.457 1.00 0.00 O ATOM 844 CB ASP A 48 77.805 12.126 -3.765 1.00 0.00 C ATOM 845 CG ASP A 48 78.270 12.875 -5.008 1.00 0.00 C ATOM 846 OD1 ASP A 48 78.117 12.339 -6.093 1.00 0.00 O ATOM 847 OD2 ASP A 48 78.772 13.976 -4.857 1.00 0.00 O ATOM 0 H ASP A 48 76.686 10.715 -2.090 1.00 0.00 H new ATOM 0 HA ASP A 48 76.065 11.363 -4.787 1.00 0.00 H new ATOM 0 HB2 ASP A 48 77.287 12.809 -3.091 1.00 0.00 H new ATOM 0 HB3 ASP A 48 78.666 11.735 -3.223 1.00 0.00 H new ATOM 852 N ARG A 49 77.234 9.697 -6.191 1.00 0.00 N ATOM 853 CA ARG A 49 77.903 8.720 -7.040 1.00 0.00 C ATOM 854 C ARG A 49 78.052 9.256 -8.458 1.00 0.00 C ATOM 855 O ARG A 49 77.429 10.253 -8.822 1.00 0.00 O ATOM 856 CB ARG A 49 77.111 7.413 -7.079 1.00 0.00 C ATOM 857 CG ARG A 49 76.745 6.990 -5.657 1.00 0.00 C ATOM 858 CD ARG A 49 76.712 5.468 -5.562 1.00 0.00 C ATOM 859 NE ARG A 49 76.225 5.058 -4.249 1.00 0.00 N ATOM 860 CZ ARG A 49 76.331 3.799 -3.841 1.00 0.00 C ATOM 861 NH1 ARG A 49 76.884 2.907 -4.618 1.00 0.00 N ATOM 862 NH2 ARG A 49 75.885 3.453 -2.665 1.00 0.00 N ATOM 0 H ARG A 49 76.433 10.158 -6.623 1.00 0.00 H new ATOM 0 HA ARG A 49 78.891 8.532 -6.620 1.00 0.00 H new ATOM 0 HB2 ARG A 49 76.207 7.542 -7.674 1.00 0.00 H new ATOM 0 HB3 ARG A 49 77.701 6.633 -7.560 1.00 0.00 H new ATOM 0 HG2 ARG A 49 77.471 7.392 -4.950 1.00 0.00 H new ATOM 0 HG3 ARG A 49 75.773 7.402 -5.384 1.00 0.00 H new ATOM 0 HD2 ARG A 49 76.067 5.061 -6.341 1.00 0.00 H new ATOM 0 HD3 ARG A 49 77.710 5.064 -5.731 1.00 0.00 H new ATOM 0 HE ARG A 49 75.796 5.750 -3.635 1.00 0.00 H new ATOM 0 HH11 ARG A 49 77.234 3.178 -5.537 1.00 0.00 H new ATOM 0 HH12 ARG A 49 76.966 1.939 -4.306 1.00 0.00 H new ATOM 0 HH21 ARG A 49 75.454 4.150 -2.058 1.00 0.00 H new ATOM 0 HH22 ARG A 49 75.967 2.485 -2.353 1.00 0.00 H new ATOM 876 N TRP A 50 78.891 8.593 -9.254 1.00 0.00 N ATOM 877 CA TRP A 50 79.107 9.035 -10.624 1.00 0.00 C ATOM 878 C TRP A 50 78.214 8.264 -11.599 1.00 0.00 C ATOM 879 O TRP A 50 78.035 7.067 -11.458 1.00 0.00 O ATOM 880 CB TRP A 50 80.562 8.834 -11.027 1.00 0.00 C ATOM 881 CG TRP A 50 81.431 9.674 -10.153 1.00 0.00 C ATOM 882 CD1 TRP A 50 81.792 9.363 -8.887 1.00 0.00 C ATOM 883 CD2 TRP A 50 82.060 10.950 -10.458 1.00 0.00 C ATOM 884 NE1 TRP A 50 82.593 10.374 -8.393 1.00 0.00 N ATOM 885 CE2 TRP A 50 82.789 11.374 -9.325 1.00 0.00 C ATOM 886 CE3 TRP A 50 82.064 11.777 -11.598 1.00 0.00 C ATOM 887 CZ2 TRP A 50 83.500 12.574 -9.319 1.00 0.00 C ATOM 888 CZ3 TRP A 50 82.779 12.986 -11.595 1.00 0.00 C ATOM 889 CH2 TRP A 50 83.496 13.383 -10.458 1.00 0.00 C ATOM 0 H TRP A 50 79.420 7.766 -8.978 1.00 0.00 H new ATOM 0 HA TRP A 50 78.855 10.095 -10.669 1.00 0.00 H new ATOM 0 HB2 TRP A 50 80.837 7.783 -10.932 1.00 0.00 H new ATOM 0 HB3 TRP A 50 80.704 9.107 -12.073 1.00 0.00 H new ATOM 0 HD1 TRP A 50 81.502 8.471 -8.351 1.00 0.00 H new ATOM 0 HE1 TRP A 50 82.991 10.381 -7.454 1.00 0.00 H new ATOM 0 HE3 TRP A 50 81.514 11.480 -12.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 84.050 12.876 -8.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 82.776 13.613 -12.474 1.00 0.00 H new ATOM 0 HH2 TRP A 50 84.045 14.313 -10.462 1.00 0.00 H new ATOM 900 N PRO A 51 77.671 8.910 -12.590 1.00 0.00 N ATOM 901 CA PRO A 51 76.780 8.244 -13.590 1.00 0.00 C ATOM 902 C PRO A 51 77.516 7.212 -14.439 1.00 0.00 C ATOM 903 O PRO A 51 76.924 6.233 -14.895 1.00 0.00 O ATOM 904 CB PRO A 51 76.290 9.408 -14.457 1.00 0.00 C ATOM 905 CG PRO A 51 77.319 10.473 -14.290 1.00 0.00 C ATOM 906 CD PRO A 51 77.852 10.332 -12.884 1.00 0.00 C ATOM 0 HA PRO A 51 75.977 7.684 -13.110 1.00 0.00 H new ATOM 0 HB2 PRO A 51 76.196 9.110 -15.501 1.00 0.00 H new ATOM 0 HB3 PRO A 51 75.308 9.754 -14.135 1.00 0.00 H new ATOM 0 HG2 PRO A 51 78.119 10.359 -15.022 1.00 0.00 H new ATOM 0 HG3 PRO A 51 76.885 11.461 -14.444 1.00 0.00 H new ATOM 0 HD2 PRO A 51 78.900 10.624 -12.821 1.00 0.00 H new ATOM 0 HD3 PRO A 51 77.303 10.960 -12.182 1.00 0.00 H new ATOM 914 N GLU A 52 78.802 7.450 -14.665 1.00 0.00 N ATOM 915 CA GLU A 52 79.593 6.551 -15.495 1.00 0.00 C ATOM 916 C GLU A 52 79.462 5.115 -15.008 1.00 0.00 C ATOM 917 O GLU A 52 79.185 4.212 -15.800 1.00 0.00 O ATOM 918 CB GLU A 52 81.067 6.958 -15.435 1.00 0.00 C ATOM 919 CG GLU A 52 81.268 8.280 -16.175 1.00 0.00 C ATOM 920 CD GLU A 52 82.730 8.706 -16.090 1.00 0.00 C ATOM 921 OE1 GLU A 52 83.506 7.972 -15.501 1.00 0.00 O ATOM 922 OE2 GLU A 52 83.051 9.761 -16.611 1.00 0.00 O ATOM 0 H GLU A 52 79.314 8.248 -14.290 1.00 0.00 H new ATOM 0 HA GLU A 52 79.225 6.618 -16.519 1.00 0.00 H new ATOM 0 HB2 GLU A 52 81.384 7.060 -14.397 1.00 0.00 H new ATOM 0 HB3 GLU A 52 81.687 6.182 -15.883 1.00 0.00 H new ATOM 0 HG2 GLU A 52 80.972 8.171 -17.218 1.00 0.00 H new ATOM 0 HG3 GLU A 52 80.630 9.050 -15.741 1.00 0.00 H new ATOM 929 N THR A 53 79.651 4.907 -13.710 1.00 0.00 N ATOM 930 CA THR A 53 79.539 3.573 -13.142 1.00 0.00 C ATOM 931 C THR A 53 78.537 3.550 -11.991 1.00 0.00 C ATOM 932 O THR A 53 77.874 2.540 -11.756 1.00 0.00 O ATOM 933 CB THR A 53 80.901 3.125 -12.634 1.00 0.00 C ATOM 934 OG1 THR A 53 81.353 4.034 -11.641 1.00 0.00 O ATOM 935 CG2 THR A 53 81.905 3.092 -13.788 1.00 0.00 C ATOM 0 H THR A 53 79.880 5.639 -13.038 1.00 0.00 H new ATOM 0 HA THR A 53 79.187 2.895 -13.920 1.00 0.00 H new ATOM 0 HB THR A 53 80.814 2.125 -12.208 1.00 0.00 H new ATOM 0 HG1 THR A 53 81.397 3.577 -10.775 1.00 0.00 H new ATOM 0 HG21 THR A 53 82.877 2.770 -13.415 1.00 0.00 H new ATOM 0 HG22 THR A 53 81.560 2.394 -14.551 1.00 0.00 H new ATOM 0 HG23 THR A 53 81.994 4.088 -14.221 1.00 0.00 H new ATOM 943 N GLY A 54 78.424 4.668 -11.278 1.00 0.00 N ATOM 944 CA GLY A 54 77.495 4.743 -10.149 1.00 0.00 C ATOM 945 C GLY A 54 78.195 4.437 -8.836 1.00 0.00 C ATOM 946 O GLY A 54 77.547 4.109 -7.847 1.00 0.00 O ATOM 0 H GLY A 54 78.953 5.522 -11.456 1.00 0.00 H new ATOM 0 HA2 GLY A 54 77.053 5.738 -10.105 1.00 0.00 H new ATOM 0 HA3 GLY A 54 76.678 4.038 -10.301 1.00 0.00 H new ATOM 950 N TYR A 55 79.520 4.540 -8.831 1.00 0.00 N ATOM 951 CA TYR A 55 80.286 4.268 -7.622 1.00 0.00 C ATOM 952 C TYR A 55 80.286 5.469 -6.698 1.00 0.00 C ATOM 953 O TYR A 55 80.038 6.592 -7.128 1.00 0.00 O ATOM 954 CB TYR A 55 81.724 3.885 -7.979 1.00 0.00 C ATOM 955 CG TYR A 55 81.750 2.575 -8.739 1.00 0.00 C ATOM 956 CD1 TYR A 55 81.009 1.470 -8.295 1.00 0.00 C ATOM 957 CD2 TYR A 55 82.521 2.464 -9.896 1.00 0.00 C ATOM 958 CE1 TYR A 55 81.037 0.279 -9.009 1.00 0.00 C ATOM 959 CE2 TYR A 55 82.552 1.262 -10.609 1.00 0.00 C ATOM 960 CZ TYR A 55 81.803 0.170 -10.167 1.00 0.00 C ATOM 961 OH TYR A 55 81.826 -1.017 -10.864 1.00 0.00 O ATOM 0 H TYR A 55 80.080 4.807 -9.641 1.00 0.00 H new ATOM 0 HA TYR A 55 79.813 3.434 -7.103 1.00 0.00 H new ATOM 0 HB2 TYR A 55 82.177 4.672 -8.582 1.00 0.00 H new ATOM 0 HB3 TYR A 55 82.320 3.797 -7.070 1.00 0.00 H new ATOM 0 HD1 TYR A 55 80.415 1.545 -7.396 1.00 0.00 H new ATOM 0 HD2 TYR A 55 83.096 3.310 -10.242 1.00 0.00 H new ATOM 0 HE1 TYR A 55 80.462 -0.567 -8.664 1.00 0.00 H new ATOM 0 HE2 TYR A 55 83.155 1.178 -11.501 1.00 0.00 H new ATOM 0 HH TYR A 55 82.503 -1.610 -10.477 1.00 0.00 H new ATOM 971 N VAL A 56 80.548 5.218 -5.416 1.00 0.00 N ATOM 972 CA VAL A 56 80.553 6.290 -4.431 1.00 0.00 C ATOM 973 C VAL A 56 81.621 7.322 -4.765 1.00 0.00 C ATOM 974 O VAL A 56 82.803 6.999 -4.862 1.00 0.00 O ATOM 975 CB VAL A 56 80.820 5.716 -3.037 1.00 0.00 C ATOM 976 CG1 VAL A 56 80.891 6.856 -2.017 1.00 0.00 C ATOM 977 CG2 VAL A 56 79.690 4.759 -2.648 1.00 0.00 C ATOM 0 H VAL A 56 80.757 4.292 -5.042 1.00 0.00 H new ATOM 0 HA VAL A 56 79.577 6.775 -4.447 1.00 0.00 H new ATOM 0 HB VAL A 56 81.767 5.176 -3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 56 81.081 6.446 -1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 56 81.697 7.537 -2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 56 79.945 7.398 -2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 56 79.883 4.352 -1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 56 78.743 5.298 -2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 56 79.638 3.944 -3.370 1.00 0.00 H new ATOM 987 N LYS A 57 81.195 8.571 -4.930 1.00 0.00 N ATOM 988 CA LYS A 57 82.123 9.648 -5.242 1.00 0.00 C ATOM 989 C LYS A 57 82.955 10.007 -4.020 1.00 0.00 C ATOM 990 O LYS A 57 84.172 10.169 -4.109 1.00 0.00 O ATOM 991 CB LYS A 57 81.353 10.879 -5.730 1.00 0.00 C ATOM 992 CG LYS A 57 82.303 12.076 -5.833 1.00 0.00 C ATOM 993 CD LYS A 57 81.619 13.212 -6.590 1.00 0.00 C ATOM 994 CE LYS A 57 82.452 14.488 -6.454 1.00 0.00 C ATOM 995 NZ LYS A 57 82.325 15.015 -5.065 1.00 0.00 N ATOM 0 H LYS A 57 80.220 8.859 -4.853 1.00 0.00 H new ATOM 0 HA LYS A 57 82.793 9.309 -6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 57 80.902 10.676 -6.701 1.00 0.00 H new ATOM 0 HB3 LYS A 57 80.539 11.107 -5.042 1.00 0.00 H new ATOM 0 HG2 LYS A 57 82.590 12.411 -4.836 1.00 0.00 H new ATOM 0 HG3 LYS A 57 83.218 11.783 -6.347 1.00 0.00 H new ATOM 0 HD2 LYS A 57 81.508 12.948 -7.642 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.616 13.375 -6.195 1.00 0.00 H new ATOM 0 HE2 LYS A 57 83.497 14.279 -6.682 1.00 0.00 H new ATOM 0 HE3 LYS A 57 82.113 15.235 -7.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 82.573 16.025 -5.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 81.346 14.895 -4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 82.968 14.493 -4.436 1.00 0.00 H new ATOM 1009 N LYS A 58 82.291 10.127 -2.879 1.00 0.00 N ATOM 1010 CA LYS A 58 82.981 10.463 -1.641 1.00 0.00 C ATOM 1011 C LYS A 58 82.239 9.890 -0.442 1.00 0.00 C ATOM 1012 O LYS A 58 81.025 9.697 -0.486 1.00 0.00 O ATOM 1013 CB LYS A 58 83.082 11.987 -1.502 1.00 0.00 C ATOM 1014 CG LYS A 58 81.677 12.597 -1.439 1.00 0.00 C ATOM 1015 CD LYS A 58 81.784 14.120 -1.356 1.00 0.00 C ATOM 1016 CE LYS A 58 80.381 14.724 -1.273 1.00 0.00 C ATOM 1017 NZ LYS A 58 80.483 16.208 -1.191 1.00 0.00 N ATOM 0 H LYS A 58 81.284 9.998 -2.784 1.00 0.00 H new ATOM 0 HA LYS A 58 83.981 10.031 -1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 58 83.640 12.243 -0.601 1.00 0.00 H new ATOM 0 HB3 LYS A 58 83.631 12.403 -2.347 1.00 0.00 H new ATOM 0 HG2 LYS A 58 81.105 12.310 -2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 58 81.141 12.212 -0.572 1.00 0.00 H new ATOM 0 HD2 LYS A 58 82.368 14.407 -0.482 1.00 0.00 H new ATOM 0 HD3 LYS A 58 82.307 14.507 -2.230 1.00 0.00 H new ATOM 0 HE2 LYS A 58 79.798 14.437 -2.148 1.00 0.00 H new ATOM 0 HE3 LYS A 58 79.858 14.336 -0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 79.529 16.619 -1.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 81.025 16.472 -0.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 80.966 16.570 -2.038 1.00 0.00 H new ATOM 1031 N LEU A 59 82.973 9.626 0.633 1.00 0.00 N ATOM 1032 CA LEU A 59 82.359 9.084 1.837 1.00 0.00 C ATOM 1033 C LEU A 59 83.060 9.609 3.085 1.00 0.00 C ATOM 1034 O LEU A 59 84.286 9.685 3.132 1.00 0.00 O ATOM 1035 CB LEU A 59 82.450 7.566 1.823 1.00 0.00 C ATOM 1036 CG LEU A 59 81.148 6.949 2.269 1.00 0.00 C ATOM 1037 CD1 LEU A 59 81.258 5.426 2.323 1.00 0.00 C ATOM 1038 CD2 LEU A 59 80.773 7.468 3.653 1.00 0.00 C ATOM 0 H LEU A 59 83.980 9.776 0.695 1.00 0.00 H new ATOM 0 HA LEU A 59 81.315 9.396 1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 59 82.696 7.221 0.819 1.00 0.00 H new ATOM 0 HB3 LEU A 59 83.257 7.239 2.479 1.00 0.00 H new ATOM 0 HG LEU A 59 80.379 7.225 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 59 80.307 5.004 2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 59 81.506 5.044 1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 59 82.040 5.142 3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 59 79.832 7.018 3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 59 81.556 7.206 4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 59 80.663 8.552 3.618 1.00 0.00 H new ATOM 1050 N GLN A 60 82.277 9.962 4.099 1.00 0.00 N ATOM 1051 CA GLN A 60 82.838 10.467 5.344 1.00 0.00 C ATOM 1052 C GLN A 60 83.216 9.313 6.266 1.00 0.00 C ATOM 1053 O GLN A 60 82.443 8.382 6.460 1.00 0.00 O ATOM 1054 CB GLN A 60 81.822 11.366 6.046 1.00 0.00 C ATOM 1055 CG GLN A 60 82.522 12.148 7.158 1.00 0.00 C ATOM 1056 CD GLN A 60 81.511 12.536 8.234 1.00 0.00 C ATOM 1057 OE1 GLN A 60 80.625 11.749 8.565 1.00 0.00 O ATOM 1058 NE2 GLN A 60 81.595 13.704 8.811 1.00 0.00 N ATOM 0 H GLN A 60 81.259 9.908 4.083 1.00 0.00 H new ATOM 0 HA GLN A 60 83.734 11.042 5.110 1.00 0.00 H new ATOM 0 HB2 GLN A 60 81.372 12.054 5.330 1.00 0.00 H new ATOM 0 HB3 GLN A 60 81.014 10.765 6.462 1.00 0.00 H new ATOM 0 HG2 GLN A 60 83.317 11.544 7.595 1.00 0.00 H new ATOM 0 HG3 GLN A 60 82.990 13.042 6.747 1.00 0.00 H new ATOM 0 HE21 GLN A 60 82.329 14.357 8.537 1.00 0.00 H new ATOM 0 HE22 GLN A 60 80.926 13.964 9.536 1.00 0.00 H new ATOM 1067 N ARG A 61 84.416 9.379 6.818 1.00 0.00 N ATOM 1068 CA ARG A 61 84.895 8.326 7.711 1.00 0.00 C ATOM 1069 C ARG A 61 84.247 8.447 9.088 1.00 0.00 C ATOM 1070 O ARG A 61 83.649 9.470 9.418 1.00 0.00 O ATOM 1071 CB ARG A 61 86.414 8.405 7.854 1.00 0.00 C ATOM 1072 CG ARG A 61 87.066 8.474 6.470 1.00 0.00 C ATOM 1073 CD ARG A 61 87.953 7.248 6.255 1.00 0.00 C ATOM 1074 NE ARG A 61 88.985 7.184 7.282 1.00 0.00 N ATOM 1075 CZ ARG A 61 89.602 6.041 7.564 1.00 0.00 C ATOM 1076 NH1 ARG A 61 89.289 4.953 6.914 1.00 0.00 N ATOM 1077 NH2 ARG A 61 90.521 6.009 8.489 1.00 0.00 N ATOM 0 H ARG A 61 85.075 10.143 6.668 1.00 0.00 H new ATOM 0 HA ARG A 61 84.622 7.364 7.277 1.00 0.00 H new ATOM 0 HB2 ARG A 61 86.688 9.283 8.438 1.00 0.00 H new ATOM 0 HB3 ARG A 61 86.783 7.534 8.396 1.00 0.00 H new ATOM 0 HG2 ARG A 61 86.298 8.519 5.698 1.00 0.00 H new ATOM 0 HG3 ARG A 61 87.660 9.384 6.382 1.00 0.00 H new ATOM 0 HD2 ARG A 61 87.347 6.343 6.282 1.00 0.00 H new ATOM 0 HD3 ARG A 61 88.414 7.293 5.268 1.00 0.00 H new ATOM 0 HE ARG A 61 89.238 8.030 7.793 1.00 0.00 H new ATOM 0 HH11 ARG A 61 88.571 4.980 6.190 1.00 0.00 H new ATOM 0 HH12 ARG A 61 89.762 4.076 7.130 1.00 0.00 H new ATOM 0 HH21 ARG A 61 90.765 6.860 8.995 1.00 0.00 H new ATOM 0 HH22 ARG A 61 90.995 5.133 8.707 1.00 0.00 H new ATOM 1091 N ARG A 62 84.384 7.397 9.886 1.00 0.00 N ATOM 1092 CA ARG A 62 83.820 7.394 11.230 1.00 0.00 C ATOM 1093 C ARG A 62 84.527 8.427 12.101 1.00 0.00 C ATOM 1094 O ARG A 62 84.123 8.681 13.235 1.00 0.00 O ATOM 1095 CB ARG A 62 83.956 6.010 11.867 1.00 0.00 C ATOM 1096 CG ARG A 62 82.575 5.366 12.001 1.00 0.00 C ATOM 1097 CD ARG A 62 82.707 4.034 12.733 1.00 0.00 C ATOM 1098 NE ARG A 62 81.415 3.358 12.775 1.00 0.00 N ATOM 1099 CZ ARG A 62 80.491 3.703 13.666 1.00 0.00 C ATOM 1100 NH1 ARG A 62 80.728 4.667 14.513 1.00 0.00 N ATOM 1101 NH2 ARG A 62 79.344 3.082 13.688 1.00 0.00 N ATOM 0 H ARG A 62 84.877 6.542 9.629 1.00 0.00 H new ATOM 0 HA ARG A 62 82.762 7.648 11.156 1.00 0.00 H new ATOM 0 HB2 ARG A 62 84.604 5.380 11.257 1.00 0.00 H new ATOM 0 HB3 ARG A 62 84.425 6.095 12.847 1.00 0.00 H new ATOM 0 HG2 ARG A 62 81.904 6.029 12.547 1.00 0.00 H new ATOM 0 HG3 ARG A 62 82.137 5.210 11.015 1.00 0.00 H new ATOM 0 HD2 ARG A 62 83.440 3.404 12.229 1.00 0.00 H new ATOM 0 HD3 ARG A 62 83.072 4.201 13.746 1.00 0.00 H new ATOM 0 HE ARG A 62 81.218 2.609 12.111 1.00 0.00 H new ATOM 0 HH11 ARG A 62 81.623 5.156 14.492 1.00 0.00 H new ATOM 0 HH12 ARG A 62 80.018 4.931 15.196 1.00 0.00 H new ATOM 0 HH21 ARG A 62 79.157 2.333 13.022 1.00 0.00 H new ATOM 0 HH22 ARG A 62 78.634 3.346 14.371 1.00 0.00 H new ATOM 1115 N ASP A 63 85.589 9.019 11.558 1.00 0.00 N ATOM 1116 CA ASP A 63 86.347 10.021 12.287 1.00 0.00 C ATOM 1117 C ASP A 63 85.996 11.420 11.820 1.00 0.00 C ATOM 1118 O ASP A 63 86.645 12.380 12.222 1.00 0.00 O ATOM 1119 CB ASP A 63 87.838 9.785 12.110 1.00 0.00 C ATOM 1120 CG ASP A 63 88.254 8.525 12.857 1.00 0.00 C ATOM 1121 OD1 ASP A 63 87.506 8.096 13.720 1.00 0.00 O ATOM 1122 OD2 ASP A 63 89.313 8.003 12.555 1.00 0.00 O ATOM 0 H ASP A 63 85.939 8.820 10.621 1.00 0.00 H new ATOM 0 HA ASP A 63 86.088 9.933 13.342 1.00 0.00 H new ATOM 0 HB2 ASP A 63 88.076 9.686 11.051 1.00 0.00 H new ATOM 0 HB3 ASP A 63 88.398 10.642 12.484 1.00 0.00 H new ATOM 1127 N ASN A 64 84.964 11.533 10.977 1.00 0.00 N ATOM 1128 CA ASN A 64 84.528 12.831 10.469 1.00 0.00 C ATOM 1129 C ASN A 64 85.424 13.290 9.328 1.00 0.00 C ATOM 1130 O ASN A 64 85.182 14.336 8.721 1.00 0.00 O ATOM 1131 CB ASN A 64 84.537 13.872 11.594 1.00 0.00 C ATOM 1132 CG ASN A 64 84.073 13.231 12.896 1.00 0.00 C ATOM 1133 OD1 ASN A 64 83.258 12.307 12.885 1.00 0.00 O ATOM 1134 ND2 ASN A 64 84.536 13.678 14.027 1.00 0.00 N ATOM 0 H ASN A 64 84.419 10.742 10.635 1.00 0.00 H new ATOM 0 HA ASN A 64 83.511 12.726 10.091 1.00 0.00 H new ATOM 0 HB2 ASN A 64 85.541 14.280 11.716 1.00 0.00 H new ATOM 0 HB3 ASN A 64 83.884 14.705 11.336 1.00 0.00 H new ATOM 0 HD21 ASN A 64 84.224 13.263 14.905 1.00 0.00 H new ATOM 0 HD22 ASN A 64 85.211 14.443 14.035 1.00 0.00 H new ATOM 1141 N THR A 65 86.449 12.503 9.033 1.00 0.00 N ATOM 1142 CA THR A 65 87.364 12.844 7.955 1.00 0.00 C ATOM 1143 C THR A 65 86.775 12.448 6.608 1.00 0.00 C ATOM 1144 O THR A 65 86.374 11.302 6.408 1.00 0.00 O ATOM 1145 CB THR A 65 88.703 12.127 8.164 1.00 0.00 C ATOM 1146 OG1 THR A 65 88.470 10.748 8.405 1.00 0.00 O ATOM 1147 CG2 THR A 65 89.431 12.734 9.361 1.00 0.00 C ATOM 0 H THR A 65 86.666 11.633 9.520 1.00 0.00 H new ATOM 0 HA THR A 65 87.524 13.922 7.963 1.00 0.00 H new ATOM 0 HB THR A 65 89.316 12.243 7.270 1.00 0.00 H new ATOM 0 HG1 THR A 65 89.326 10.290 8.537 1.00 0.00 H new ATOM 0 HG21 THR A 65 90.382 12.222 9.506 1.00 0.00 H new ATOM 0 HG22 THR A 65 89.613 13.793 9.177 1.00 0.00 H new ATOM 0 HG23 THR A 65 88.818 12.621 10.255 1.00 0.00 H new ATOM 1155 N PHE A 66 86.719 13.402 5.683 1.00 0.00 N ATOM 1156 CA PHE A 66 86.172 13.133 4.358 1.00 0.00 C ATOM 1157 C PHE A 66 87.128 12.264 3.552 1.00 0.00 C ATOM 1158 O PHE A 66 88.322 12.551 3.477 1.00 0.00 O ATOM 1159 CB PHE A 66 85.931 14.448 3.618 1.00 0.00 C ATOM 1160 CG PHE A 66 84.662 15.092 4.128 1.00 0.00 C ATOM 1161 CD1 PHE A 66 84.703 15.947 5.235 1.00 0.00 C ATOM 1162 CD2 PHE A 66 83.445 14.831 3.488 1.00 0.00 C ATOM 1163 CE1 PHE A 66 83.524 16.539 5.704 1.00 0.00 C ATOM 1164 CE2 PHE A 66 82.267 15.424 3.957 1.00 0.00 C ATOM 1165 CZ PHE A 66 82.307 16.279 5.063 1.00 0.00 C ATOM 0 H PHE A 66 87.042 14.359 5.825 1.00 0.00 H new ATOM 0 HA PHE A 66 85.227 12.603 4.476 1.00 0.00 H new ATOM 0 HB2 PHE A 66 86.776 15.120 3.765 1.00 0.00 H new ATOM 0 HB3 PHE A 66 85.852 14.265 2.546 1.00 0.00 H new ATOM 0 HD1 PHE A 66 85.643 16.150 5.727 1.00 0.00 H new ATOM 0 HD2 PHE A 66 83.415 14.172 2.633 1.00 0.00 H new ATOM 0 HE1 PHE A 66 83.554 17.196 6.560 1.00 0.00 H new ATOM 0 HE2 PHE A 66 81.327 15.221 3.465 1.00 0.00 H new ATOM 0 HZ PHE A 66 81.398 16.739 5.423 1.00 0.00 H new ATOM 1175 N PHE A 67 86.595 11.202 2.950 1.00 0.00 N ATOM 1176 CA PHE A 67 87.407 10.295 2.151 1.00 0.00 C ATOM 1177 C PHE A 67 86.897 10.256 0.715 1.00 0.00 C ATOM 1178 O PHE A 67 85.770 9.833 0.453 1.00 0.00 O ATOM 1179 CB PHE A 67 87.356 8.886 2.746 1.00 0.00 C ATOM 1180 CG PHE A 67 88.367 8.009 2.050 1.00 0.00 C ATOM 1181 CD1 PHE A 67 88.025 7.356 0.860 1.00 0.00 C ATOM 1182 CD2 PHE A 67 89.650 7.853 2.589 1.00 0.00 C ATOM 1183 CE1 PHE A 67 88.962 6.546 0.211 1.00 0.00 C ATOM 1184 CE2 PHE A 67 90.589 7.042 1.939 1.00 0.00 C ATOM 1185 CZ PHE A 67 90.245 6.388 0.751 1.00 0.00 C ATOM 0 H PHE A 67 85.608 10.952 3.002 1.00 0.00 H new ATOM 0 HA PHE A 67 88.436 10.655 2.156 1.00 0.00 H new ATOM 0 HB2 PHE A 67 87.566 8.923 3.815 1.00 0.00 H new ATOM 0 HB3 PHE A 67 86.356 8.468 2.632 1.00 0.00 H new ATOM 0 HD1 PHE A 67 87.036 7.478 0.443 1.00 0.00 H new ATOM 0 HD2 PHE A 67 89.916 8.358 3.506 1.00 0.00 H new ATOM 0 HE1 PHE A 67 88.697 6.042 -0.707 1.00 0.00 H new ATOM 0 HE2 PHE A 67 91.578 6.922 2.355 1.00 0.00 H new ATOM 0 HZ PHE A 67 90.968 5.761 0.250 1.00 0.00 H new ATOM 1195 N TYR A 68 87.735 10.696 -0.214 1.00 0.00 N ATOM 1196 CA TYR A 68 87.363 10.704 -1.623 1.00 0.00 C ATOM 1197 C TYR A 68 87.583 9.327 -2.241 1.00 0.00 C ATOM 1198 O TYR A 68 88.586 8.666 -1.968 1.00 0.00 O ATOM 1199 CB TYR A 68 88.192 11.742 -2.380 1.00 0.00 C ATOM 1200 CG TYR A 68 87.729 13.130 -2.008 1.00 0.00 C ATOM 1201 CD1 TYR A 68 86.557 13.649 -2.573 1.00 0.00 C ATOM 1202 CD2 TYR A 68 88.467 13.899 -1.099 1.00 0.00 C ATOM 1203 CE1 TYR A 68 86.124 14.935 -2.230 1.00 0.00 C ATOM 1204 CE2 TYR A 68 88.034 15.185 -0.757 1.00 0.00 C ATOM 1205 CZ TYR A 68 86.861 15.703 -1.321 1.00 0.00 C ATOM 1206 OH TYR A 68 86.434 16.971 -0.984 1.00 0.00 O ATOM 0 H TYR A 68 88.672 11.050 -0.020 1.00 0.00 H new ATOM 0 HA TYR A 68 86.306 10.961 -1.698 1.00 0.00 H new ATOM 0 HB2 TYR A 68 89.249 11.624 -2.140 1.00 0.00 H new ATOM 0 HB3 TYR A 68 88.090 11.590 -3.455 1.00 0.00 H new ATOM 0 HD1 TYR A 68 85.987 13.057 -3.274 1.00 0.00 H new ATOM 0 HD2 TYR A 68 89.370 13.499 -0.662 1.00 0.00 H new ATOM 0 HE1 TYR A 68 85.221 15.335 -2.667 1.00 0.00 H new ATOM 0 HE2 TYR A 68 88.604 15.778 -0.058 1.00 0.00 H new ATOM 0 HH TYR A 68 87.059 17.366 -0.341 1.00 0.00 H new ATOM 1216 N TYR A 69 86.643 8.912 -3.084 1.00 0.00 N ATOM 1217 CA TYR A 69 86.731 7.618 -3.759 1.00 0.00 C ATOM 1218 C TYR A 69 86.893 7.797 -5.261 1.00 0.00 C ATOM 1219 O TYR A 69 86.425 8.782 -5.835 1.00 0.00 O ATOM 1220 CB TYR A 69 85.486 6.782 -3.474 1.00 0.00 C ATOM 1221 CG TYR A 69 85.626 6.102 -2.133 1.00 0.00 C ATOM 1222 CD1 TYR A 69 86.513 5.025 -1.997 1.00 0.00 C ATOM 1223 CD2 TYR A 69 84.872 6.526 -1.032 1.00 0.00 C ATOM 1224 CE1 TYR A 69 86.647 4.378 -0.764 1.00 0.00 C ATOM 1225 CE2 TYR A 69 85.013 5.869 0.198 1.00 0.00 C ATOM 1226 CZ TYR A 69 85.897 4.803 0.329 1.00 0.00 C ATOM 1227 OH TYR A 69 86.027 4.171 1.548 1.00 0.00 O ATOM 0 H TYR A 69 85.810 9.452 -3.317 1.00 0.00 H new ATOM 0 HA TYR A 69 87.608 7.099 -3.372 1.00 0.00 H new ATOM 0 HB2 TYR A 69 84.600 7.417 -3.480 1.00 0.00 H new ATOM 0 HB3 TYR A 69 85.349 6.037 -4.258 1.00 0.00 H new ATOM 0 HD1 TYR A 69 87.094 4.694 -2.845 1.00 0.00 H new ATOM 0 HD2 TYR A 69 84.186 7.354 -1.130 1.00 0.00 H new ATOM 0 HE1 TYR A 69 87.332 3.549 -0.660 1.00 0.00 H new ATOM 0 HE2 TYR A 69 84.432 6.192 1.049 1.00 0.00 H new ATOM 0 HH TYR A 69 85.185 3.725 1.776 1.00 0.00 H new ATOM 1237 N ASN A 70 87.556 6.836 -5.896 1.00 0.00 N ATOM 1238 CA ASN A 70 87.767 6.892 -7.334 1.00 0.00 C ATOM 1239 C ASN A 70 86.734 6.036 -8.062 1.00 0.00 C ATOM 1240 O ASN A 70 86.603 4.842 -7.794 1.00 0.00 O ATOM 1241 CB ASN A 70 89.176 6.401 -7.672 1.00 0.00 C ATOM 1242 CG ASN A 70 89.212 4.877 -7.705 1.00 0.00 C ATOM 1243 OD1 ASN A 70 88.667 4.223 -6.815 1.00 0.00 O ATOM 1244 ND2 ASN A 70 89.816 4.268 -8.690 1.00 0.00 N ATOM 0 H ASN A 70 87.953 6.015 -5.439 1.00 0.00 H new ATOM 0 HA ASN A 70 87.656 7.926 -7.661 1.00 0.00 H new ATOM 0 HB2 ASN A 70 89.485 6.800 -8.638 1.00 0.00 H new ATOM 0 HB3 ASN A 70 89.885 6.772 -6.932 1.00 0.00 H new ATOM 0 HD21 ASN A 70 89.837 3.249 -8.723 1.00 0.00 H new ATOM 0 HD22 ASN A 70 90.267 4.812 -9.426 1.00 0.00 H new ATOM 1251 N LYS A 71 86.008 6.649 -8.986 1.00 0.00 N ATOM 1252 CA LYS A 71 84.999 5.927 -9.754 1.00 0.00 C ATOM 1253 C LYS A 71 85.652 4.846 -10.621 1.00 0.00 C ATOM 1254 O LYS A 71 84.994 3.937 -11.109 1.00 0.00 O ATOM 1255 CB LYS A 71 84.218 6.904 -10.632 1.00 0.00 C ATOM 1256 CG LYS A 71 85.175 7.634 -11.580 1.00 0.00 C ATOM 1257 CD LYS A 71 84.534 7.747 -12.958 1.00 0.00 C ATOM 1258 CE LYS A 71 85.481 8.505 -13.890 1.00 0.00 C ATOM 1259 NZ LYS A 71 84.811 9.744 -14.374 1.00 0.00 N ATOM 0 H LYS A 71 86.096 7.637 -9.222 1.00 0.00 H new ATOM 0 HA LYS A 71 84.313 5.442 -9.059 1.00 0.00 H new ATOM 0 HB2 LYS A 71 83.463 6.367 -11.206 1.00 0.00 H new ATOM 0 HB3 LYS A 71 83.690 7.625 -10.008 1.00 0.00 H new ATOM 0 HG2 LYS A 71 85.404 8.626 -11.191 1.00 0.00 H new ATOM 0 HG3 LYS A 71 86.119 7.093 -11.649 1.00 0.00 H new ATOM 0 HD2 LYS A 71 84.327 6.755 -13.359 1.00 0.00 H new ATOM 0 HD3 LYS A 71 83.579 8.268 -12.887 1.00 0.00 H new ATOM 0 HE2 LYS A 71 86.402 8.758 -13.364 1.00 0.00 H new ATOM 0 HE3 LYS A 71 85.759 7.875 -14.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 84.682 9.689 -15.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 83.884 9.840 -13.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 85.399 10.570 -14.143 1.00 0.00 H new ATOM 1273 N GLU A 72 86.952 4.960 -10.823 1.00 0.00 N ATOM 1274 CA GLU A 72 87.669 3.989 -11.635 1.00 0.00 C ATOM 1275 C GLU A 72 87.999 2.763 -10.806 1.00 0.00 C ATOM 1276 O GLU A 72 89.168 2.405 -10.663 1.00 0.00 O ATOM 1277 CB GLU A 72 88.965 4.604 -12.163 1.00 0.00 C ATOM 1278 CG GLU A 72 88.645 5.600 -13.276 1.00 0.00 C ATOM 1279 CD GLU A 72 89.891 6.402 -13.632 1.00 0.00 C ATOM 1280 OE1 GLU A 72 90.884 6.255 -12.940 1.00 0.00 O ATOM 1281 OE2 GLU A 72 89.828 7.159 -14.588 1.00 0.00 O ATOM 0 H GLU A 72 87.531 5.708 -10.440 1.00 0.00 H new ATOM 0 HA GLU A 72 87.036 3.700 -12.474 1.00 0.00 H new ATOM 0 HB2 GLU A 72 89.497 5.106 -11.355 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.623 3.821 -12.540 1.00 0.00 H new ATOM 0 HG2 GLU A 72 88.280 5.070 -14.156 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.849 6.272 -12.956 1.00 0.00 H new ATOM 1365 N LYS A 78 91.367 -10.385 -5.243 1.00 0.00 N ATOM 1366 CA LYS A 78 92.168 -10.280 -4.032 1.00 0.00 C ATOM 1367 C LYS A 78 91.407 -9.522 -2.946 1.00 0.00 C ATOM 1368 O LYS A 78 91.466 -9.876 -1.771 1.00 0.00 O ATOM 1369 CB LYS A 78 93.478 -9.552 -4.330 1.00 0.00 C ATOM 1370 CG LYS A 78 94.393 -10.462 -5.152 1.00 0.00 C ATOM 1371 CD LYS A 78 95.283 -11.274 -4.205 1.00 0.00 C ATOM 1372 CE LYS A 78 96.413 -10.390 -3.665 1.00 0.00 C ATOM 1373 NZ LYS A 78 96.491 -10.533 -2.184 1.00 0.00 N ATOM 0 HA LYS A 78 92.382 -11.289 -3.678 1.00 0.00 H new ATOM 0 HB2 LYS A 78 93.278 -8.630 -4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 78 93.969 -9.270 -3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 78 93.797 -11.131 -5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 78 95.008 -9.866 -5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 78 94.689 -11.665 -3.379 1.00 0.00 H new ATOM 0 HD3 LYS A 78 95.701 -12.132 -4.731 1.00 0.00 H new ATOM 0 HE2 LYS A 78 97.362 -10.676 -4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 78 96.233 -9.348 -3.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 97.258 -9.933 -1.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 95.588 -10.240 -1.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 96.682 -11.526 -1.941 1.00 0.00 H new ATOM 1387 N GLU A 79 90.668 -8.494 -3.344 1.00 0.00 N ATOM 1388 CA GLU A 79 89.903 -7.703 -2.385 1.00 0.00 C ATOM 1389 C GLU A 79 88.605 -8.408 -2.030 1.00 0.00 C ATOM 1390 O GLU A 79 88.116 -8.281 -0.913 1.00 0.00 O ATOM 1391 CB GLU A 79 89.608 -6.325 -2.978 1.00 0.00 C ATOM 1392 CG GLU A 79 90.533 -5.283 -2.350 1.00 0.00 C ATOM 1393 CD GLU A 79 90.135 -5.046 -0.897 1.00 0.00 C ATOM 1394 OE1 GLU A 79 89.092 -4.449 -0.679 1.00 0.00 O ATOM 1395 OE2 GLU A 79 90.875 -5.465 -0.024 1.00 0.00 O ATOM 0 H GLU A 79 90.581 -8.190 -4.314 1.00 0.00 H new ATOM 0 HA GLU A 79 90.490 -7.585 -1.474 1.00 0.00 H new ATOM 0 HB2 GLU A 79 89.749 -6.346 -4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 79 88.567 -6.057 -2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 79 91.567 -5.623 -2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 79 90.476 -4.349 -2.909 1.00 0.00 H new ATOM 1402 N VAL A 80 88.059 -9.163 -2.973 1.00 0.00 N ATOM 1403 CA VAL A 80 86.825 -9.892 -2.723 1.00 0.00 C ATOM 1404 C VAL A 80 87.011 -10.836 -1.540 1.00 0.00 C ATOM 1405 O VAL A 80 86.128 -10.969 -0.690 1.00 0.00 O ATOM 1406 CB VAL A 80 86.444 -10.693 -3.967 1.00 0.00 C ATOM 1407 CG1 VAL A 80 85.300 -11.659 -3.643 1.00 0.00 C ATOM 1408 CG2 VAL A 80 85.985 -9.733 -5.054 1.00 0.00 C ATOM 0 H VAL A 80 88.446 -9.286 -3.909 1.00 0.00 H new ATOM 0 HA VAL A 80 86.030 -9.183 -2.491 1.00 0.00 H new ATOM 0 HB VAL A 80 87.310 -11.262 -4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 80 85.037 -12.224 -4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 80 85.616 -12.347 -2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 80 84.432 -11.094 -3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 80 85.711 -10.297 -5.946 1.00 0.00 H new ATOM 0 HG22 VAL A 80 85.121 -9.170 -4.701 1.00 0.00 H new ATOM 0 HG23 VAL A 80 86.794 -9.043 -5.295 1.00 0.00 H new ATOM 1418 N HIS A 81 88.160 -11.494 -1.499 1.00 0.00 N ATOM 1419 CA HIS A 81 88.452 -12.428 -0.415 1.00 0.00 C ATOM 1420 C HIS A 81 88.653 -11.676 0.896 1.00 0.00 C ATOM 1421 O HIS A 81 88.179 -12.106 1.948 1.00 0.00 O ATOM 1422 CB HIS A 81 89.710 -13.233 -0.737 1.00 0.00 C ATOM 1423 CG HIS A 81 89.422 -14.183 -1.864 1.00 0.00 C ATOM 1424 ND1 HIS A 81 89.455 -13.783 -3.191 1.00 0.00 N ATOM 1425 CD2 HIS A 81 89.092 -15.515 -1.882 1.00 0.00 C ATOM 1426 CE1 HIS A 81 89.152 -14.855 -3.946 1.00 0.00 C ATOM 1427 NE2 HIS A 81 88.922 -15.937 -3.198 1.00 0.00 N ATOM 0 H HIS A 81 88.900 -11.402 -2.195 1.00 0.00 H new ATOM 0 HA HIS A 81 87.606 -13.107 -0.311 1.00 0.00 H new ATOM 0 HB2 HIS A 81 90.524 -12.562 -1.012 1.00 0.00 H new ATOM 0 HB3 HIS A 81 90.037 -13.786 0.144 1.00 0.00 H new ATOM 0 HD2 HIS A 81 88.981 -16.141 -1.009 1.00 0.00 H new ATOM 0 HE1 HIS A 81 89.101 -14.842 -5.025 1.00 0.00 H new ATOM 0 HE2 HIS A 81 88.675 -16.872 -3.521 1.00 0.00 H new ATOM 1435 N LYS A 82 89.349 -10.540 0.829 1.00 0.00 N ATOM 1436 CA LYS A 82 89.589 -9.734 2.022 1.00 0.00 C ATOM 1437 C LYS A 82 88.333 -8.956 2.413 1.00 0.00 C ATOM 1438 O LYS A 82 88.127 -8.637 3.583 1.00 0.00 O ATOM 1439 CB LYS A 82 90.732 -8.754 1.765 1.00 0.00 C ATOM 1440 CG LYS A 82 92.005 -9.528 1.426 1.00 0.00 C ATOM 1441 CD LYS A 82 93.225 -8.737 1.894 1.00 0.00 C ATOM 1442 CE LYS A 82 94.478 -9.273 1.195 1.00 0.00 C ATOM 1443 NZ LYS A 82 94.573 -10.744 1.400 1.00 0.00 N ATOM 0 H LYS A 82 89.751 -10.162 -0.029 1.00 0.00 H new ATOM 0 HA LYS A 82 89.855 -10.404 2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 82 90.473 -8.084 0.945 1.00 0.00 H new ATOM 0 HB3 LYS A 82 90.896 -8.132 2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 82 91.987 -10.506 1.907 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.062 -9.702 0.351 1.00 0.00 H new ATOM 0 HD2 LYS A 82 93.094 -7.679 1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 82 93.334 -8.822 2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 82 94.438 -9.046 0.130 1.00 0.00 H new ATOM 0 HE3 LYS A 82 95.366 -8.782 1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 95.548 -11.057 1.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 94.310 -10.976 2.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 93.927 -11.228 0.744 1.00 0.00 H new ATOM 1457 N VAL A 83 87.498 -8.656 1.423 1.00 0.00 N ATOM 1458 CA VAL A 83 86.264 -7.914 1.660 1.00 0.00 C ATOM 1459 C VAL A 83 85.122 -8.860 2.000 1.00 0.00 C ATOM 1460 O VAL A 83 84.953 -9.898 1.359 1.00 0.00 O ATOM 1461 CB VAL A 83 85.896 -7.092 0.426 1.00 0.00 C ATOM 1462 CG1 VAL A 83 84.518 -6.461 0.627 1.00 0.00 C ATOM 1463 CG2 VAL A 83 86.935 -5.986 0.227 1.00 0.00 C ATOM 0 H VAL A 83 87.653 -8.915 0.449 1.00 0.00 H new ATOM 0 HA VAL A 83 86.429 -7.244 2.504 1.00 0.00 H new ATOM 0 HB VAL A 83 85.876 -7.739 -0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 83 84.255 -5.874 -0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 83 83.776 -7.246 0.775 1.00 0.00 H new ATOM 0 HG13 VAL A 83 84.539 -5.812 1.503 1.00 0.00 H new ATOM 0 HG21 VAL A 83 86.676 -5.397 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 83 86.951 -5.340 1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 83 87.920 -6.432 0.087 1.00 0.00 H new ATOM 1473 N LYS A 84 84.344 -8.500 3.018 1.00 0.00 N ATOM 1474 CA LYS A 84 83.221 -9.328 3.443 1.00 0.00 C ATOM 1475 C LYS A 84 81.903 -8.613 3.168 1.00 0.00 C ATOM 1476 O LYS A 84 81.869 -7.388 3.051 1.00 0.00 O ATOM 1477 CB LYS A 84 83.335 -9.634 4.939 1.00 0.00 C ATOM 1478 CG LYS A 84 84.809 -9.697 5.339 1.00 0.00 C ATOM 1479 CD LYS A 84 84.916 -10.067 6.817 1.00 0.00 C ATOM 1480 CE LYS A 84 86.289 -10.678 7.084 1.00 0.00 C ATOM 1481 NZ LYS A 84 87.352 -9.685 6.756 1.00 0.00 N ATOM 0 H LYS A 84 84.470 -7.645 3.560 1.00 0.00 H new ATOM 0 HA LYS A 84 83.243 -10.261 2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 84 82.823 -8.865 5.518 1.00 0.00 H new ATOM 0 HB3 LYS A 84 82.846 -10.581 5.165 1.00 0.00 H new ATOM 0 HG2 LYS A 84 85.332 -10.434 4.729 1.00 0.00 H new ATOM 0 HG3 LYS A 84 85.288 -8.735 5.158 1.00 0.00 H new ATOM 0 HD2 LYS A 84 84.772 -9.182 7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 84 84.132 -10.775 7.085 1.00 0.00 H new ATOM 0 HE2 LYS A 84 86.368 -10.978 8.129 1.00 0.00 H new ATOM 0 HE3 LYS A 84 86.420 -11.578 6.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 88.248 -9.977 7.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 87.474 -9.635 5.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 87.077 -8.750 7.118 1.00 0.00 H new ATOM 1495 N VAL A 85 80.824 -9.385 3.064 1.00 0.00 N ATOM 1496 CA VAL A 85 79.508 -8.811 2.801 1.00 0.00 C ATOM 1497 C VAL A 85 78.550 -9.129 3.945 1.00 0.00 C ATOM 1498 O VAL A 85 78.320 -10.294 4.272 1.00 0.00 O ATOM 1499 CB VAL A 85 78.949 -9.374 1.493 1.00 0.00 C ATOM 1500 CG1 VAL A 85 77.583 -8.747 1.209 1.00 0.00 C ATOM 1501 CG2 VAL A 85 79.910 -9.049 0.346 1.00 0.00 C ATOM 0 H VAL A 85 80.834 -10.401 3.157 1.00 0.00 H new ATOM 0 HA VAL A 85 79.610 -7.729 2.717 1.00 0.00 H new ATOM 0 HB VAL A 85 78.840 -10.455 1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 85 77.185 -9.148 0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 85 76.899 -8.979 2.025 1.00 0.00 H new ATOM 0 HG13 VAL A 85 77.690 -7.666 1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 85 79.512 -9.450 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 85 80.020 -7.968 0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 85 80.883 -9.497 0.548 1.00 0.00 H new ATOM 1511 N TYR A 86 77.993 -8.086 4.547 1.00 0.00 N ATOM 1512 CA TYR A 86 77.061 -8.263 5.652 1.00 0.00 C ATOM 1513 C TYR A 86 75.678 -8.649 5.134 1.00 0.00 C ATOM 1514 O TYR A 86 75.279 -8.247 4.042 1.00 0.00 O ATOM 1515 CB TYR A 86 76.973 -6.969 6.468 1.00 0.00 C ATOM 1516 CG TYR A 86 75.898 -6.078 5.892 1.00 0.00 C ATOM 1517 CD1 TYR A 86 75.875 -5.805 4.522 1.00 0.00 C ATOM 1518 CD2 TYR A 86 74.918 -5.537 6.728 1.00 0.00 C ATOM 1519 CE1 TYR A 86 74.874 -4.990 3.987 1.00 0.00 C ATOM 1520 CE2 TYR A 86 73.915 -4.720 6.196 1.00 0.00 C ATOM 1521 CZ TYR A 86 73.892 -4.447 4.822 1.00 0.00 C ATOM 1522 OH TYR A 86 72.905 -3.640 4.294 1.00 0.00 O ATOM 0 H TYR A 86 78.169 -7.115 4.291 1.00 0.00 H new ATOM 0 HA TYR A 86 77.426 -9.068 6.290 1.00 0.00 H new ATOM 0 HB2 TYR A 86 76.749 -7.199 7.510 1.00 0.00 H new ATOM 0 HB3 TYR A 86 77.933 -6.453 6.455 1.00 0.00 H new ATOM 0 HD1 TYR A 86 76.632 -6.224 3.876 1.00 0.00 H new ATOM 0 HD2 TYR A 86 74.935 -5.750 7.787 1.00 0.00 H new ATOM 0 HE1 TYR A 86 74.859 -4.779 2.928 1.00 0.00 H new ATOM 0 HE2 TYR A 86 73.159 -4.300 6.843 1.00 0.00 H new ATOM 0 HH TYR A 86 72.043 -4.104 4.341 1.00 0.00 H new ATOM 1532 N VAL A 87 74.951 -9.434 5.923 1.00 0.00 N ATOM 1533 CA VAL A 87 73.611 -9.861 5.538 1.00 0.00 C ATOM 1534 C VAL A 87 72.618 -9.574 6.658 1.00 0.00 C ATOM 1535 O VAL A 87 72.812 -10.001 7.803 1.00 0.00 O ATOM 1536 CB VAL A 87 73.609 -11.355 5.213 1.00 0.00 C ATOM 1537 CG1 VAL A 87 74.190 -11.577 3.815 1.00 0.00 C ATOM 1538 CG2 VAL A 87 74.467 -12.097 6.237 1.00 0.00 C ATOM 0 H VAL A 87 75.265 -9.785 6.828 1.00 0.00 H new ATOM 0 HA VAL A 87 73.311 -9.302 4.652 1.00 0.00 H new ATOM 0 HB VAL A 87 72.586 -11.731 5.247 1.00 0.00 H new ATOM 0 HG11 VAL A 87 74.188 -12.642 3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 87 73.584 -11.046 3.081 1.00 0.00 H new ATOM 0 HG13 VAL A 87 75.212 -11.201 3.782 1.00 0.00 H new ATOM 0 HG21 VAL A 87 74.467 -13.163 6.008 1.00 0.00 H new ATOM 0 HG22 VAL A 87 75.488 -11.717 6.199 1.00 0.00 H new ATOM 0 HG23 VAL A 87 74.058 -11.941 7.235 1.00 0.00 H new ATOM 1548 N TYR A 88 71.550 -8.854 6.318 1.00 0.00 N ATOM 1549 CA TYR A 88 70.520 -8.513 7.296 1.00 0.00 C ATOM 1550 C TYR A 88 69.211 -9.220 6.965 1.00 0.00 C ATOM 1551 O TYR A 88 69.141 -9.831 5.910 1.00 0.00 O ATOM 1552 CB TYR A 88 70.300 -6.999 7.314 1.00 0.00 C ATOM 1553 CG TYR A 88 70.067 -6.503 5.909 1.00 0.00 C ATOM 1554 CD1 TYR A 88 71.156 -6.266 5.063 1.00 0.00 C ATOM 1555 CD2 TYR A 88 68.764 -6.286 5.447 1.00 0.00 C ATOM 1556 CE1 TYR A 88 70.946 -5.808 3.759 1.00 0.00 C ATOM 1557 CE2 TYR A 88 68.552 -5.828 4.141 1.00 0.00 C ATOM 1558 CZ TYR A 88 69.643 -5.587 3.297 1.00 0.00 C ATOM 1559 OH TYR A 88 69.435 -5.134 2.010 1.00 0.00 O ATOM 1560 OXT TYR A 88 68.301 -9.146 7.772 1.00 0.00 O ATOM 0 H TYR A 88 71.376 -8.498 5.378 1.00 0.00 H new ATOM 0 HA TYR A 88 70.855 -8.842 8.280 1.00 0.00 H new ATOM 0 HB2 TYR A 88 69.445 -6.753 7.943 1.00 0.00 H new ATOM 0 HB3 TYR A 88 71.167 -6.501 7.747 1.00 0.00 H new ATOM 0 HD1 TYR A 88 72.161 -6.437 5.418 1.00 0.00 H new ATOM 0 HD2 TYR A 88 67.922 -6.472 6.098 1.00 0.00 H new ATOM 0 HE1 TYR A 88 71.788 -5.625 3.108 1.00 0.00 H new ATOM 0 HE2 TYR A 88 67.546 -5.661 3.784 1.00 0.00 H new ATOM 0 HH TYR A 88 68.473 -5.034 1.850 1.00 0.00 H new