USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 538 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 65 ASN : amide:sc= 0.0792 X(o=-2.3,f=-2.4) USER MOD Set 1.2: A 68 ASN : amide:sc= -2.4 K(o=-2.3,f=-10!) USER MOD Set 2.1: A 49 ASN : amide:sc= -0.339 K(o=-2.9,f=-3.8) USER MOD Set 2.2: A 52 ASN : amide:sc= -2.59 K(o=-2.9,f=-10!) USER MOD Set 3.1: A 19 THR OG1 : rot 75:sc= 1.1 USER MOD Set 3.2: A 62 HIS : no HD1:sc= -2.02 K(o=-0.92,f=-7.9!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0416) USER MOD Single : A 45 HIS : no HD1:sc= -1.68 K(o=-1.7,f=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.436 K(o=-0.44,f=-1.5) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00389) USER MOD Single : A 73 GLN : amide:sc= -0.0833 K(o=-0.083,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 219 N ILE A 14 150.313 10.343 -4.890 1.00 0.00 N ATOM 220 CA ILE A 14 150.540 8.912 -4.726 1.00 0.00 C ATOM 221 C ILE A 14 151.333 8.622 -3.456 1.00 0.00 C ATOM 222 O ILE A 14 150.990 7.721 -2.691 1.00 0.00 O ATOM 223 CB ILE A 14 151.294 8.322 -5.933 1.00 0.00 C ATOM 224 CG1 ILE A 14 150.620 8.744 -7.240 1.00 0.00 C ATOM 225 CG2 ILE A 14 151.358 6.805 -5.830 1.00 0.00 C ATOM 226 CD1 ILE A 14 149.231 8.172 -7.416 1.00 0.00 C ATOM 0 HA ILE A 14 149.559 8.443 -4.653 1.00 0.00 H new ATOM 0 HB ILE A 14 152.313 8.710 -5.929 1.00 0.00 H new ATOM 0 HG12 ILE A 14 150.563 9.832 -7.275 1.00 0.00 H new ATOM 0 HG13 ILE A 14 151.242 8.430 -8.078 1.00 0.00 H new ATOM 0 HG21 ILE A 14 151.894 6.404 -6.690 1.00 0.00 H new ATOM 0 HG22 ILE A 14 151.879 6.524 -4.915 1.00 0.00 H new ATOM 0 HG23 ILE A 14 150.347 6.399 -5.811 1.00 0.00 H new ATOM 0 HD11 ILE A 14 148.814 8.513 -8.364 1.00 0.00 H new ATOM 0 HD12 ILE A 14 149.283 7.083 -7.413 1.00 0.00 H new ATOM 0 HD13 ILE A 14 148.593 8.507 -6.598 1.00 0.00 H new ATOM 238 N LEU A 15 152.395 9.391 -3.238 1.00 0.00 N ATOM 239 CA LEU A 15 153.238 9.215 -2.060 1.00 0.00 C ATOM 240 C LEU A 15 152.466 9.539 -0.785 1.00 0.00 C ATOM 241 O LEU A 15 152.729 8.967 0.273 1.00 0.00 O ATOM 242 CB LEU A 15 154.479 10.105 -2.158 1.00 0.00 C ATOM 243 CG LEU A 15 155.501 9.687 -3.219 1.00 0.00 C ATOM 244 CD1 LEU A 15 155.833 8.207 -3.091 1.00 0.00 C ATOM 245 CD2 LEU A 15 154.981 9.999 -4.613 1.00 0.00 C ATOM 0 H LEU A 15 152.692 10.142 -3.861 1.00 0.00 H new ATOM 0 HA LEU A 15 153.549 8.171 -2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 15 154.159 11.125 -2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 15 154.973 10.119 -1.187 1.00 0.00 H new ATOM 0 HG LEU A 15 156.415 10.258 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 15 156.561 7.930 -3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 15 156.251 8.012 -2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 15 154.926 7.618 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 15 155.721 9.695 -5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 15 154.051 9.456 -4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 15 154.798 11.070 -4.702 1.00 0.00 H new ATOM 257 N LYS A 16 151.516 10.462 -0.892 1.00 0.00 N ATOM 258 CA LYS A 16 150.708 10.863 0.254 1.00 0.00 C ATOM 259 C LYS A 16 149.745 9.752 0.666 1.00 0.00 C ATOM 260 O LYS A 16 149.358 9.656 1.830 1.00 0.00 O ATOM 261 CB LYS A 16 149.925 12.139 -0.070 1.00 0.00 C ATOM 262 CG LYS A 16 149.106 12.042 -1.348 1.00 0.00 C ATOM 263 CD LYS A 16 148.179 13.237 -1.507 1.00 0.00 C ATOM 264 CE LYS A 16 147.030 13.186 -0.513 1.00 0.00 C ATOM 265 NZ LYS A 16 146.129 14.364 -0.645 1.00 0.00 N ATOM 0 H LYS A 16 151.287 10.946 -1.760 1.00 0.00 H new ATOM 0 HA LYS A 16 151.382 11.057 1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 16 149.259 12.368 0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 16 150.623 12.971 -0.158 1.00 0.00 H new ATOM 0 HG2 LYS A 16 149.775 11.982 -2.207 1.00 0.00 H new ATOM 0 HG3 LYS A 16 148.519 11.124 -1.337 1.00 0.00 H new ATOM 0 HD2 LYS A 16 148.744 14.158 -1.365 1.00 0.00 H new ATOM 0 HD3 LYS A 16 147.783 13.259 -2.522 1.00 0.00 H new ATOM 0 HE2 LYS A 16 146.457 12.272 -0.667 1.00 0.00 H new ATOM 0 HE3 LYS A 16 147.428 13.145 0.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 145.359 14.292 0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 146.670 15.236 -0.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 145.728 14.389 -1.604 1.00 0.00 H new ATOM 279 N GLU A 17 149.361 8.918 -0.295 1.00 0.00 N ATOM 280 CA GLU A 17 148.442 7.817 -0.028 1.00 0.00 C ATOM 281 C GLU A 17 149.193 6.582 0.459 1.00 0.00 C ATOM 282 O GLU A 17 148.666 5.792 1.242 1.00 0.00 O ATOM 283 CB GLU A 17 147.643 7.477 -1.288 1.00 0.00 C ATOM 284 CG GLU A 17 146.588 6.404 -1.067 1.00 0.00 C ATOM 285 CD GLU A 17 145.248 6.769 -1.676 1.00 0.00 C ATOM 286 OE1 GLU A 17 144.552 7.633 -1.104 1.00 0.00 O ATOM 287 OE2 GLU A 17 144.895 6.190 -2.724 1.00 0.00 O ATOM 0 H GLU A 17 149.671 8.983 -1.264 1.00 0.00 H new ATOM 0 HA GLU A 17 147.756 8.134 0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 17 147.158 8.381 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 17 148.330 7.145 -2.066 1.00 0.00 H new ATOM 0 HG2 GLU A 17 146.935 5.465 -1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 17 146.463 6.237 0.003 1.00 0.00 H new ATOM 294 N VAL A 18 150.426 6.420 -0.011 1.00 0.00 N ATOM 295 CA VAL A 18 151.247 5.279 0.376 1.00 0.00 C ATOM 296 C VAL A 18 151.630 5.348 1.851 1.00 0.00 C ATOM 297 O VAL A 18 151.827 4.321 2.500 1.00 0.00 O ATOM 298 CB VAL A 18 152.531 5.199 -0.472 1.00 0.00 C ATOM 299 CG1 VAL A 18 153.283 3.907 -0.187 1.00 0.00 C ATOM 300 CG2 VAL A 18 152.203 5.318 -1.954 1.00 0.00 C ATOM 0 H VAL A 18 150.878 7.064 -0.660 1.00 0.00 H new ATOM 0 HA VAL A 18 150.647 4.386 0.202 1.00 0.00 H new ATOM 0 HB VAL A 18 153.175 6.034 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 18 154.186 3.870 -0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 18 153.555 3.869 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 18 152.647 3.055 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 18 153.123 5.259 -2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 18 151.537 4.506 -2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 18 151.715 6.274 -2.143 1.00 0.00 H new ATOM 310 N THR A 19 151.735 6.565 2.375 1.00 0.00 N ATOM 311 CA THR A 19 152.098 6.767 3.773 1.00 0.00 C ATOM 312 C THR A 19 150.916 6.488 4.699 1.00 0.00 C ATOM 313 O THR A 19 151.098 6.195 5.881 1.00 0.00 O ATOM 314 CB THR A 19 152.600 8.196 3.988 1.00 0.00 C ATOM 315 OG1 THR A 19 153.674 8.487 3.112 1.00 0.00 O ATOM 316 CG2 THR A 19 153.075 8.457 5.401 1.00 0.00 C ATOM 0 H THR A 19 151.574 7.426 1.853 1.00 0.00 H new ATOM 0 HA THR A 19 152.895 6.064 4.016 1.00 0.00 H new ATOM 0 HB THR A 19 151.742 8.837 3.787 1.00 0.00 H new ATOM 0 HG1 THR A 19 153.328 8.634 2.207 1.00 0.00 H new ATOM 0 HG21 THR A 19 153.417 9.488 5.485 1.00 0.00 H new ATOM 0 HG22 THR A 19 152.254 8.289 6.098 1.00 0.00 H new ATOM 0 HG23 THR A 19 153.896 7.781 5.639 1.00 0.00 H new ATOM 324 N SER A 20 149.705 6.583 4.159 1.00 0.00 N ATOM 325 CA SER A 20 148.498 6.343 4.944 1.00 0.00 C ATOM 326 C SER A 20 148.125 4.864 4.943 1.00 0.00 C ATOM 327 O SER A 20 147.748 4.308 5.974 1.00 0.00 O ATOM 328 CB SER A 20 147.337 7.173 4.396 1.00 0.00 C ATOM 329 OG SER A 20 146.178 7.023 5.199 1.00 0.00 O ATOM 0 H SER A 20 149.533 6.824 3.183 1.00 0.00 H new ATOM 0 HA SER A 20 148.701 6.644 5.972 1.00 0.00 H new ATOM 0 HB2 SER A 20 147.623 8.224 4.358 1.00 0.00 H new ATOM 0 HB3 SER A 20 147.117 6.866 3.374 1.00 0.00 H new ATOM 0 HG SER A 20 145.451 7.565 4.828 1.00 0.00 H new ATOM 335 N VAL A 21 148.227 4.233 3.778 1.00 0.00 N ATOM 336 CA VAL A 21 147.894 2.819 3.643 1.00 0.00 C ATOM 337 C VAL A 21 148.945 1.934 4.310 1.00 0.00 C ATOM 338 O VAL A 21 148.641 0.831 4.764 1.00 0.00 O ATOM 339 CB VAL A 21 147.756 2.416 2.161 1.00 0.00 C ATOM 340 CG1 VAL A 21 149.064 2.645 1.419 1.00 0.00 C ATOM 341 CG2 VAL A 21 147.310 0.966 2.038 1.00 0.00 C ATOM 0 H VAL A 21 148.537 4.678 2.914 1.00 0.00 H new ATOM 0 HA VAL A 21 146.937 2.670 4.143 1.00 0.00 H new ATOM 0 HB VAL A 21 146.992 3.045 1.704 1.00 0.00 H new ATOM 0 HG11 VAL A 21 148.946 2.355 0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 21 149.334 3.700 1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 21 149.851 2.045 1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 21 147.219 0.702 0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 21 148.046 0.317 2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 21 146.345 0.839 2.529 1.00 0.00 H new ATOM 351 N VAL A 22 150.180 2.421 4.362 1.00 0.00 N ATOM 352 CA VAL A 22 151.271 1.668 4.970 1.00 0.00 C ATOM 353 C VAL A 22 151.139 1.634 6.490 1.00 0.00 C ATOM 354 O VAL A 22 151.321 0.589 7.115 1.00 0.00 O ATOM 355 CB VAL A 22 152.643 2.264 4.594 1.00 0.00 C ATOM 356 CG1 VAL A 22 152.773 3.687 5.114 1.00 0.00 C ATOM 357 CG2 VAL A 22 153.770 1.389 5.125 1.00 0.00 C ATOM 0 H VAL A 22 150.450 3.332 3.991 1.00 0.00 H new ATOM 0 HA VAL A 22 151.208 0.651 4.583 1.00 0.00 H new ATOM 0 HB VAL A 22 152.717 2.293 3.507 1.00 0.00 H new ATOM 0 HG11 VAL A 22 153.748 4.088 4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 22 151.989 4.307 4.678 1.00 0.00 H new ATOM 0 HG13 VAL A 22 152.675 3.688 6.200 1.00 0.00 H new ATOM 0 HG21 VAL A 22 154.730 1.826 4.850 1.00 0.00 H new ATOM 0 HG22 VAL A 22 153.699 1.323 6.211 1.00 0.00 H new ATOM 0 HG23 VAL A 22 153.689 0.391 4.695 1.00 0.00 H new ATOM 367 N GLU A 23 150.824 2.783 7.080 1.00 0.00 N ATOM 368 CA GLU A 23 150.670 2.883 8.527 1.00 0.00 C ATOM 369 C GLU A 23 149.410 2.160 8.994 1.00 0.00 C ATOM 370 O GLU A 23 149.380 1.587 10.083 1.00 0.00 O ATOM 371 CB GLU A 23 150.618 4.352 8.954 1.00 0.00 C ATOM 372 CG GLU A 23 149.407 5.099 8.420 1.00 0.00 C ATOM 373 CD GLU A 23 149.443 6.578 8.752 1.00 0.00 C ATOM 374 OE1 GLU A 23 150.554 7.141 8.834 1.00 0.00 O ATOM 375 OE2 GLU A 23 148.359 7.173 8.928 1.00 0.00 O ATOM 0 H GLU A 23 150.670 3.658 6.578 1.00 0.00 H new ATOM 0 HA GLU A 23 151.532 2.406 8.992 1.00 0.00 H new ATOM 0 HB2 GLU A 23 150.616 4.405 10.043 1.00 0.00 H new ATOM 0 HB3 GLU A 23 151.523 4.853 8.612 1.00 0.00 H new ATOM 0 HG2 GLU A 23 149.355 4.974 7.338 1.00 0.00 H new ATOM 0 HG3 GLU A 23 148.501 4.659 8.836 1.00 0.00 H new ATOM 382 N GLN A 24 148.373 2.193 8.165 1.00 0.00 N ATOM 383 CA GLN A 24 147.110 1.541 8.495 1.00 0.00 C ATOM 384 C GLN A 24 147.281 0.028 8.589 1.00 0.00 C ATOM 385 O GLN A 24 146.565 -0.642 9.333 1.00 0.00 O ATOM 386 CB GLN A 24 146.049 1.881 7.445 1.00 0.00 C ATOM 387 CG GLN A 24 145.401 3.240 7.651 1.00 0.00 C ATOM 388 CD GLN A 24 143.923 3.140 7.976 1.00 0.00 C ATOM 389 OE1 GLN A 24 143.533 2.517 8.962 1.00 0.00 O ATOM 390 NE2 GLN A 24 143.092 3.756 7.143 1.00 0.00 N ATOM 0 H GLN A 24 148.381 2.664 7.260 1.00 0.00 H new ATOM 0 HA GLN A 24 146.784 1.910 9.468 1.00 0.00 H new ATOM 0 HB2 GLN A 24 146.507 1.852 6.456 1.00 0.00 H new ATOM 0 HB3 GLN A 24 145.276 1.113 7.461 1.00 0.00 H new ATOM 0 HG2 GLN A 24 145.912 3.763 8.459 1.00 0.00 H new ATOM 0 HG3 GLN A 24 145.531 3.840 6.751 1.00 0.00 H new ATOM 0 HE21 GLN A 24 143.460 4.262 6.337 1.00 0.00 H new ATOM 0 HE22 GLN A 24 142.086 3.724 7.309 1.00 0.00 H new ATOM 399 N ALA A 25 148.233 -0.503 7.829 1.00 0.00 N ATOM 400 CA ALA A 25 148.495 -1.938 7.825 1.00 0.00 C ATOM 401 C ALA A 25 149.160 -2.382 9.124 1.00 0.00 C ATOM 402 O ALA A 25 148.806 -3.416 9.690 1.00 0.00 O ATOM 403 CB ALA A 25 149.361 -2.311 6.633 1.00 0.00 C ATOM 0 H ALA A 25 148.835 0.038 7.209 1.00 0.00 H new ATOM 0 HA ALA A 25 147.539 -2.455 7.744 1.00 0.00 H new ATOM 0 HB1 ALA A 25 149.549 -3.385 6.642 1.00 0.00 H new ATOM 0 HB2 ALA A 25 148.847 -2.040 5.711 1.00 0.00 H new ATOM 0 HB3 ALA A 25 150.309 -1.776 6.690 1.00 0.00 H new ATOM 409 N TRP A 26 150.126 -1.596 9.589 1.00 0.00 N ATOM 410 CA TRP A 26 150.845 -1.910 10.822 1.00 0.00 C ATOM 411 C TRP A 26 149.881 -2.217 11.966 1.00 0.00 C ATOM 412 O TRP A 26 150.217 -2.955 12.892 1.00 0.00 O ATOM 413 CB TRP A 26 151.765 -0.749 11.209 1.00 0.00 C ATOM 414 CG TRP A 26 153.194 -1.163 11.392 1.00 0.00 C ATOM 415 CD1 TRP A 26 153.864 -1.297 12.573 1.00 0.00 C ATOM 416 CD2 TRP A 26 154.128 -1.499 10.359 1.00 0.00 C ATOM 417 NE1 TRP A 26 155.159 -1.694 12.337 1.00 0.00 N ATOM 418 CE2 TRP A 26 155.343 -1.825 10.985 1.00 0.00 C ATOM 419 CE3 TRP A 26 154.057 -1.558 8.966 1.00 0.00 C ATOM 420 CZ2 TRP A 26 156.471 -2.202 10.262 1.00 0.00 C ATOM 421 CZ3 TRP A 26 155.178 -1.931 8.258 1.00 0.00 C ATOM 422 CH2 TRP A 26 156.367 -2.248 8.905 1.00 0.00 C ATOM 0 H TRP A 26 150.430 -0.737 9.132 1.00 0.00 H new ATOM 0 HA TRP A 26 151.447 -2.800 10.640 1.00 0.00 H new ATOM 0 HB2 TRP A 26 151.712 0.020 10.438 1.00 0.00 H new ATOM 0 HB3 TRP A 26 151.403 -0.299 12.133 1.00 0.00 H new ATOM 0 HD1 TRP A 26 153.439 -1.118 13.550 1.00 0.00 H new ATOM 0 HE1 TRP A 26 155.867 -1.863 13.051 1.00 0.00 H new ATOM 0 HE3 TRP A 26 153.139 -1.315 8.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 157.397 -2.450 10.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 155.132 -1.978 7.180 1.00 0.00 H new ATOM 0 HH2 TRP A 26 157.227 -2.537 8.319 1.00 0.00 H new ATOM 433 N LYS A 27 148.681 -1.649 11.896 1.00 0.00 N ATOM 434 CA LYS A 27 147.671 -1.866 12.925 1.00 0.00 C ATOM 435 C LYS A 27 147.352 -3.352 13.073 1.00 0.00 C ATOM 436 O LYS A 27 146.956 -3.807 14.147 1.00 0.00 O ATOM 437 CB LYS A 27 146.396 -1.090 12.591 1.00 0.00 C ATOM 438 CG LYS A 27 146.521 0.408 12.814 1.00 0.00 C ATOM 439 CD LYS A 27 145.985 0.817 14.177 1.00 0.00 C ATOM 440 CE LYS A 27 146.222 2.293 14.449 1.00 0.00 C ATOM 441 NZ LYS A 27 145.868 2.663 15.847 1.00 0.00 N ATOM 0 H LYS A 27 148.385 -1.035 11.137 1.00 0.00 H new ATOM 0 HA LYS A 27 148.071 -1.503 13.872 1.00 0.00 H new ATOM 0 HB2 LYS A 27 146.131 -1.273 11.550 1.00 0.00 H new ATOM 0 HB3 LYS A 27 145.577 -1.473 13.200 1.00 0.00 H new ATOM 0 HG2 LYS A 27 147.567 0.703 12.730 1.00 0.00 H new ATOM 0 HG3 LYS A 27 145.976 0.939 12.034 1.00 0.00 H new ATOM 0 HD2 LYS A 27 144.917 0.603 14.228 1.00 0.00 H new ATOM 0 HD3 LYS A 27 146.467 0.221 14.952 1.00 0.00 H new ATOM 0 HE2 LYS A 27 147.269 2.533 14.264 1.00 0.00 H new ATOM 0 HE3 LYS A 27 145.631 2.890 13.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 146.044 3.678 15.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 144.863 2.458 16.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 146.450 2.112 16.510 1.00 0.00 H new ATOM 455 N LEU A 28 147.527 -4.102 11.990 1.00 0.00 N ATOM 456 CA LEU A 28 147.258 -5.535 12.000 1.00 0.00 C ATOM 457 C LEU A 28 148.469 -6.314 12.509 1.00 0.00 C ATOM 458 O LEU A 28 149.604 -5.850 12.401 1.00 0.00 O ATOM 459 CB LEU A 28 146.884 -6.014 10.595 1.00 0.00 C ATOM 460 CG LEU A 28 145.940 -5.089 9.823 1.00 0.00 C ATOM 461 CD1 LEU A 28 146.307 -5.060 8.348 1.00 0.00 C ATOM 462 CD2 LEU A 28 144.496 -5.532 10.005 1.00 0.00 C ATOM 0 H LEU A 28 147.854 -3.741 11.094 1.00 0.00 H new ATOM 0 HA LEU A 28 146.422 -5.717 12.675 1.00 0.00 H new ATOM 0 HB2 LEU A 28 147.799 -6.140 10.016 1.00 0.00 H new ATOM 0 HB3 LEU A 28 146.420 -6.997 10.675 1.00 0.00 H new ATOM 0 HG LEU A 28 146.045 -4.080 10.222 1.00 0.00 H new ATOM 0 HD11 LEU A 28 145.625 -4.397 7.816 1.00 0.00 H new ATOM 0 HD12 LEU A 28 147.328 -4.696 8.234 1.00 0.00 H new ATOM 0 HD13 LEU A 28 146.232 -6.066 7.934 1.00 0.00 H new ATOM 0 HD21 LEU A 28 143.838 -4.864 9.450 1.00 0.00 H new ATOM 0 HD22 LEU A 28 144.378 -6.550 9.633 1.00 0.00 H new ATOM 0 HD23 LEU A 28 144.236 -5.500 11.063 1.00 0.00 H new ATOM 474 N PRO A 29 148.242 -7.514 13.073 1.00 0.00 N ATOM 475 CA PRO A 29 149.319 -8.358 13.600 1.00 0.00 C ATOM 476 C PRO A 29 150.379 -8.671 12.547 1.00 0.00 C ATOM 477 O PRO A 29 151.480 -8.121 12.581 1.00 0.00 O ATOM 478 CB PRO A 29 148.600 -9.641 14.042 1.00 0.00 C ATOM 479 CG PRO A 29 147.270 -9.596 13.369 1.00 0.00 C ATOM 480 CD PRO A 29 146.924 -8.142 13.241 1.00 0.00 C ATOM 0 HA PRO A 29 149.859 -7.864 14.408 1.00 0.00 H new ATOM 0 HB2 PRO A 29 149.161 -10.528 13.747 1.00 0.00 H new ATOM 0 HB3 PRO A 29 148.492 -9.678 15.126 1.00 0.00 H new ATOM 0 HG2 PRO A 29 147.311 -10.076 12.391 1.00 0.00 H new ATOM 0 HG3 PRO A 29 146.518 -10.127 13.953 1.00 0.00 H new ATOM 0 HD2 PRO A 29 146.273 -7.954 12.387 1.00 0.00 H new ATOM 0 HD3 PRO A 29 146.407 -7.769 14.125 1.00 0.00 H new ATOM 488 N GLU A 30 150.044 -9.556 11.612 1.00 0.00 N ATOM 489 CA GLU A 30 150.971 -9.937 10.553 1.00 0.00 C ATOM 490 C GLU A 30 150.238 -10.614 9.400 1.00 0.00 C ATOM 491 O GLU A 30 150.508 -10.335 8.231 1.00 0.00 O ATOM 492 CB GLU A 30 152.051 -10.872 11.102 1.00 0.00 C ATOM 493 CG GLU A 30 151.496 -12.056 11.875 1.00 0.00 C ATOM 494 CD GLU A 30 152.299 -12.363 13.125 1.00 0.00 C ATOM 495 OE1 GLU A 30 153.530 -12.157 13.106 1.00 0.00 O ATOM 496 OE2 GLU A 30 151.695 -12.810 14.123 1.00 0.00 O ATOM 0 H GLU A 30 149.138 -10.022 11.567 1.00 0.00 H new ATOM 0 HA GLU A 30 151.441 -9.029 10.177 1.00 0.00 H new ATOM 0 HB2 GLU A 30 152.655 -11.241 10.273 1.00 0.00 H new ATOM 0 HB3 GLU A 30 152.715 -10.303 11.753 1.00 0.00 H new ATOM 0 HG2 GLU A 30 150.462 -11.852 12.153 1.00 0.00 H new ATOM 0 HG3 GLU A 30 151.485 -12.934 11.229 1.00 0.00 H new ATOM 503 N SER A 31 149.311 -11.507 9.734 1.00 0.00 N ATOM 504 CA SER A 31 148.539 -12.226 8.726 1.00 0.00 C ATOM 505 C SER A 31 147.888 -11.259 7.741 1.00 0.00 C ATOM 506 O SER A 31 148.151 -11.311 6.539 1.00 0.00 O ATOM 507 CB SER A 31 147.467 -13.089 9.394 1.00 0.00 C ATOM 508 OG SER A 31 147.371 -14.359 8.770 1.00 0.00 O ATOM 0 H SER A 31 149.076 -11.750 10.696 1.00 0.00 H new ATOM 0 HA SER A 31 149.224 -12.870 8.174 1.00 0.00 H new ATOM 0 HB2 SER A 31 147.705 -13.216 10.450 1.00 0.00 H new ATOM 0 HB3 SER A 31 146.504 -12.582 9.343 1.00 0.00 H new ATOM 0 HG SER A 31 146.680 -14.892 9.217 1.00 0.00 H new ATOM 514 N GLU A 32 147.043 -10.375 8.259 1.00 0.00 N ATOM 515 CA GLU A 32 146.358 -9.394 7.426 1.00 0.00 C ATOM 516 C GLU A 32 147.280 -8.223 7.095 1.00 0.00 C ATOM 517 O GLU A 32 147.119 -7.565 6.068 1.00 0.00 O ATOM 518 CB GLU A 32 145.099 -8.885 8.131 1.00 0.00 C ATOM 519 CG GLU A 32 143.925 -8.658 7.193 1.00 0.00 C ATOM 520 CD GLU A 32 142.654 -8.287 7.930 1.00 0.00 C ATOM 521 OE1 GLU A 32 141.975 -9.203 8.441 1.00 0.00 O ATOM 522 OE2 GLU A 32 142.336 -7.081 7.996 1.00 0.00 O ATOM 0 H GLU A 32 146.816 -10.318 9.252 1.00 0.00 H new ATOM 0 HA GLU A 32 146.071 -9.882 6.494 1.00 0.00 H new ATOM 0 HB2 GLU A 32 144.807 -9.603 8.898 1.00 0.00 H new ATOM 0 HB3 GLU A 32 145.331 -7.950 8.641 1.00 0.00 H new ATOM 0 HG2 GLU A 32 144.176 -7.866 6.488 1.00 0.00 H new ATOM 0 HG3 GLU A 32 143.751 -9.562 6.609 1.00 0.00 H new ATOM 529 N ARG A 33 148.246 -7.968 7.973 1.00 0.00 N ATOM 530 CA ARG A 33 149.194 -6.877 7.775 1.00 0.00 C ATOM 531 C ARG A 33 149.944 -7.036 6.456 1.00 0.00 C ATOM 532 O ARG A 33 149.900 -6.158 5.594 1.00 0.00 O ATOM 533 CB ARG A 33 150.191 -6.825 8.934 1.00 0.00 C ATOM 534 CG ARG A 33 151.089 -5.598 8.909 1.00 0.00 C ATOM 535 CD ARG A 33 152.296 -5.772 9.817 1.00 0.00 C ATOM 536 NE ARG A 33 153.531 -5.328 9.176 1.00 0.00 N ATOM 537 CZ ARG A 33 154.086 -5.941 8.133 1.00 0.00 C ATOM 538 NH1 ARG A 33 153.518 -7.020 7.609 1.00 0.00 N ATOM 539 NH2 ARG A 33 155.212 -5.472 7.611 1.00 0.00 N ATOM 0 H ARG A 33 148.393 -8.503 8.829 1.00 0.00 H new ATOM 0 HA ARG A 33 148.631 -5.944 7.742 1.00 0.00 H new ATOM 0 HB2 ARG A 33 149.642 -6.844 9.876 1.00 0.00 H new ATOM 0 HB3 ARG A 33 150.812 -7.720 8.909 1.00 0.00 H new ATOM 0 HG2 ARG A 33 151.424 -5.412 7.889 1.00 0.00 H new ATOM 0 HG3 ARG A 33 150.520 -4.723 9.222 1.00 0.00 H new ATOM 0 HD2 ARG A 33 152.142 -5.208 10.737 1.00 0.00 H new ATOM 0 HD3 ARG A 33 152.390 -6.821 10.098 1.00 0.00 H new ATOM 0 HE ARG A 33 153.995 -4.500 9.549 1.00 0.00 H new ATOM 0 HH11 ARG A 33 152.651 -7.384 8.006 1.00 0.00 H new ATOM 0 HH12 ARG A 33 153.948 -7.485 6.810 1.00 0.00 H new ATOM 0 HH21 ARG A 33 155.652 -4.642 8.009 1.00 0.00 H new ATOM 0 HH22 ARG A 33 155.638 -5.941 6.812 1.00 0.00 H new ATOM 553 N LYS A 34 150.637 -8.162 6.309 1.00 0.00 N ATOM 554 CA LYS A 34 151.403 -8.439 5.096 1.00 0.00 C ATOM 555 C LYS A 34 150.521 -8.363 3.851 1.00 0.00 C ATOM 556 O LYS A 34 151.016 -8.166 2.742 1.00 0.00 O ATOM 557 CB LYS A 34 152.058 -9.818 5.188 1.00 0.00 C ATOM 558 CG LYS A 34 153.131 -9.911 6.259 1.00 0.00 C ATOM 559 CD LYS A 34 153.254 -11.325 6.802 1.00 0.00 C ATOM 560 CE LYS A 34 154.686 -11.649 7.196 1.00 0.00 C ATOM 561 NZ LYS A 34 155.467 -12.192 6.050 1.00 0.00 N ATOM 0 H LYS A 34 150.684 -8.898 7.014 1.00 0.00 H new ATOM 0 HA LYS A 34 152.178 -7.677 5.009 1.00 0.00 H new ATOM 0 HB2 LYS A 34 151.289 -10.564 5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 34 152.498 -10.067 4.222 1.00 0.00 H new ATOM 0 HG2 LYS A 34 154.088 -9.594 5.845 1.00 0.00 H new ATOM 0 HG3 LYS A 34 152.894 -9.227 7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 34 152.602 -11.441 7.668 1.00 0.00 H new ATOM 0 HD3 LYS A 34 152.913 -12.036 6.049 1.00 0.00 H new ATOM 0 HE2 LYS A 34 155.172 -10.749 7.572 1.00 0.00 H new ATOM 0 HE3 LYS A 34 154.684 -12.374 8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 156.438 -12.400 6.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 155.018 -13.065 5.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 155.491 -11.490 5.283 1.00 0.00 H new ATOM 575 N LYS A 35 149.215 -8.528 4.038 1.00 0.00 N ATOM 576 CA LYS A 35 148.273 -8.482 2.926 1.00 0.00 C ATOM 577 C LYS A 35 148.284 -7.113 2.246 1.00 0.00 C ATOM 578 O LYS A 35 147.935 -6.993 1.072 1.00 0.00 O ATOM 579 CB LYS A 35 146.860 -8.815 3.413 1.00 0.00 C ATOM 580 CG LYS A 35 146.205 -9.950 2.642 1.00 0.00 C ATOM 581 CD LYS A 35 144.690 -9.887 2.739 1.00 0.00 C ATOM 582 CE LYS A 35 144.043 -11.139 2.169 1.00 0.00 C ATOM 583 NZ LYS A 35 143.676 -10.971 0.735 1.00 0.00 N ATOM 0 H LYS A 35 148.786 -8.695 4.948 1.00 0.00 H new ATOM 0 HA LYS A 35 148.584 -9.227 2.193 1.00 0.00 H new ATOM 0 HB2 LYS A 35 146.901 -9.080 4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 35 146.237 -7.924 3.332 1.00 0.00 H new ATOM 0 HG2 LYS A 35 146.506 -9.902 1.596 1.00 0.00 H new ATOM 0 HG3 LYS A 35 146.556 -10.906 3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 35 144.396 -9.767 3.782 1.00 0.00 H new ATOM 0 HD3 LYS A 35 144.326 -9.011 2.202 1.00 0.00 H new ATOM 0 HE2 LYS A 35 144.728 -11.981 2.272 1.00 0.00 H new ATOM 0 HE3 LYS A 35 143.151 -11.381 2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 143.238 -11.846 0.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 143.003 -10.184 0.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 144.531 -10.765 0.180 1.00 0.00 H new ATOM 597 N ILE A 36 148.683 -6.084 2.989 1.00 0.00 N ATOM 598 CA ILE A 36 148.732 -4.729 2.450 1.00 0.00 C ATOM 599 C ILE A 36 150.107 -4.416 1.865 1.00 0.00 C ATOM 600 O ILE A 36 150.219 -3.698 0.872 1.00 0.00 O ATOM 601 CB ILE A 36 148.389 -3.681 3.528 1.00 0.00 C ATOM 602 CG1 ILE A 36 147.029 -3.992 4.158 1.00 0.00 C ATOM 603 CG2 ILE A 36 148.392 -2.280 2.932 1.00 0.00 C ATOM 604 CD1 ILE A 36 147.130 -4.666 5.508 1.00 0.00 C ATOM 0 H ILE A 36 148.976 -6.163 3.963 1.00 0.00 H new ATOM 0 HA ILE A 36 147.986 -4.678 1.657 1.00 0.00 H new ATOM 0 HB ILE A 36 149.151 -3.724 4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 36 146.466 -3.065 4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 36 146.462 -4.633 3.482 1.00 0.00 H new ATOM 0 HG21 ILE A 36 148.148 -1.554 3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 36 149.379 -2.059 2.526 1.00 0.00 H new ATOM 0 HG23 ILE A 36 147.651 -2.222 2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 36 146.129 -4.857 5.895 1.00 0.00 H new ATOM 0 HD12 ILE A 36 147.665 -5.610 5.404 1.00 0.00 H new ATOM 0 HD13 ILE A 36 147.669 -4.018 6.199 1.00 0.00 H new ATOM 616 N ILE A 37 151.151 -4.957 2.486 1.00 0.00 N ATOM 617 CA ILE A 37 152.514 -4.729 2.022 1.00 0.00 C ATOM 618 C ILE A 37 152.877 -5.685 0.889 1.00 0.00 C ATOM 619 O ILE A 37 153.685 -5.355 0.021 1.00 0.00 O ATOM 620 CB ILE A 37 153.534 -4.891 3.168 1.00 0.00 C ATOM 621 CG1 ILE A 37 153.153 -3.998 4.349 1.00 0.00 C ATOM 622 CG2 ILE A 37 154.939 -4.562 2.683 1.00 0.00 C ATOM 623 CD1 ILE A 37 152.154 -4.634 5.292 1.00 0.00 C ATOM 0 H ILE A 37 151.079 -5.555 3.309 1.00 0.00 H new ATOM 0 HA ILE A 37 152.556 -3.704 1.654 1.00 0.00 H new ATOM 0 HB ILE A 37 153.520 -5.929 3.499 1.00 0.00 H new ATOM 0 HG12 ILE A 37 154.054 -3.743 4.906 1.00 0.00 H new ATOM 0 HG13 ILE A 37 152.738 -3.065 3.969 1.00 0.00 H new ATOM 0 HG21 ILE A 37 155.645 -4.682 3.505 1.00 0.00 H new ATOM 0 HG22 ILE A 37 155.210 -5.236 1.870 1.00 0.00 H new ATOM 0 HG23 ILE A 37 154.969 -3.533 2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 37 151.931 -3.943 6.105 1.00 0.00 H new ATOM 0 HD12 ILE A 37 151.237 -4.864 4.749 1.00 0.00 H new ATOM 0 HD13 ILE A 37 152.574 -5.553 5.701 1.00 0.00 H new ATOM 635 N ARG A 38 152.274 -6.869 0.903 1.00 0.00 N ATOM 636 CA ARG A 38 152.534 -7.872 -0.123 1.00 0.00 C ATOM 637 C ARG A 38 151.812 -7.521 -1.420 1.00 0.00 C ATOM 638 O ARG A 38 152.351 -7.705 -2.511 1.00 0.00 O ATOM 639 CB ARG A 38 152.093 -9.254 0.361 1.00 0.00 C ATOM 640 CG ARG A 38 152.686 -10.399 -0.446 1.00 0.00 C ATOM 641 CD ARG A 38 153.656 -11.226 0.382 1.00 0.00 C ATOM 642 NE ARG A 38 152.976 -11.972 1.438 1.00 0.00 N ATOM 643 CZ ARG A 38 153.609 -12.642 2.398 1.00 0.00 C ATOM 644 NH1 ARG A 38 154.936 -12.661 2.440 1.00 0.00 N ATOM 645 NH2 ARG A 38 152.915 -13.295 3.320 1.00 0.00 N ATOM 0 H ARG A 38 151.602 -7.157 1.614 1.00 0.00 H new ATOM 0 HA ARG A 38 153.607 -7.888 -0.317 1.00 0.00 H new ATOM 0 HB2 ARG A 38 152.378 -9.372 1.407 1.00 0.00 H new ATOM 0 HB3 ARG A 38 151.006 -9.315 0.318 1.00 0.00 H new ATOM 0 HG2 ARG A 38 151.884 -11.039 -0.814 1.00 0.00 H new ATOM 0 HG3 ARG A 38 153.201 -10.000 -1.320 1.00 0.00 H new ATOM 0 HD2 ARG A 38 154.187 -11.921 -0.269 1.00 0.00 H new ATOM 0 HD3 ARG A 38 154.405 -10.570 0.826 1.00 0.00 H new ATOM 0 HE ARG A 38 151.956 -11.980 1.440 1.00 0.00 H new ATOM 0 HH11 ARG A 38 155.476 -12.160 1.734 1.00 0.00 H new ATOM 0 HH12 ARG A 38 155.416 -13.176 3.178 1.00 0.00 H new ATOM 0 HH21 ARG A 38 151.895 -13.284 3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 38 153.401 -13.808 4.055 1.00 0.00 H new ATOM 659 N ARG A 39 150.588 -7.017 -1.294 1.00 0.00 N ATOM 660 CA ARG A 39 149.793 -6.641 -2.456 1.00 0.00 C ATOM 661 C ARG A 39 150.305 -5.342 -3.071 1.00 0.00 C ATOM 662 O ARG A 39 150.316 -5.184 -4.291 1.00 0.00 O ATOM 663 CB ARG A 39 148.322 -6.488 -2.064 1.00 0.00 C ATOM 664 CG ARG A 39 147.354 -6.999 -3.119 1.00 0.00 C ATOM 665 CD ARG A 39 145.956 -7.180 -2.550 1.00 0.00 C ATOM 666 NE ARG A 39 145.157 -8.108 -3.345 1.00 0.00 N ATOM 667 CZ ARG A 39 144.055 -8.707 -2.901 1.00 0.00 C ATOM 668 NH1 ARG A 39 143.620 -8.480 -1.666 1.00 0.00 N ATOM 669 NH2 ARG A 39 143.385 -9.535 -3.690 1.00 0.00 N ATOM 0 H ARG A 39 150.126 -6.860 -0.398 1.00 0.00 H new ATOM 0 HA ARG A 39 149.885 -7.433 -3.199 1.00 0.00 H new ATOM 0 HB2 ARG A 39 148.146 -7.024 -1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 39 148.114 -5.436 -1.871 1.00 0.00 H new ATOM 0 HG2 ARG A 39 147.321 -6.299 -3.954 1.00 0.00 H new ATOM 0 HG3 ARG A 39 147.713 -7.949 -3.514 1.00 0.00 H new ATOM 0 HD2 ARG A 39 146.026 -7.547 -1.526 1.00 0.00 H new ATOM 0 HD3 ARG A 39 145.454 -6.213 -2.508 1.00 0.00 H new ATOM 0 HE ARG A 39 145.462 -8.309 -4.297 1.00 0.00 H new ATOM 0 HH11 ARG A 39 144.131 -7.844 -1.054 1.00 0.00 H new ATOM 0 HH12 ARG A 39 142.775 -8.942 -1.330 1.00 0.00 H new ATOM 0 HH21 ARG A 39 143.714 -9.714 -4.639 1.00 0.00 H new ATOM 0 HH22 ARG A 39 142.540 -9.994 -3.348 1.00 0.00 H new ATOM 683 N LEU A 40 150.730 -4.417 -2.216 1.00 0.00 N ATOM 684 CA LEU A 40 151.245 -3.133 -2.675 1.00 0.00 C ATOM 685 C LEU A 40 152.527 -3.317 -3.481 1.00 0.00 C ATOM 686 O LEU A 40 152.693 -2.723 -4.546 1.00 0.00 O ATOM 687 CB LEU A 40 151.503 -2.207 -1.484 1.00 0.00 C ATOM 688 CG LEU A 40 150.379 -1.213 -1.180 1.00 0.00 C ATOM 689 CD1 LEU A 40 150.236 -0.207 -2.311 1.00 0.00 C ATOM 690 CD2 LEU A 40 149.067 -1.946 -0.944 1.00 0.00 C ATOM 0 H LEU A 40 150.728 -4.533 -1.203 1.00 0.00 H new ATOM 0 HA LEU A 40 150.494 -2.679 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 40 151.676 -2.819 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 40 152.421 -1.649 -1.670 1.00 0.00 H new ATOM 0 HG LEU A 40 150.636 -0.671 -0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 40 149.432 0.491 -2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 40 151.170 0.342 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 40 150.003 -0.732 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 40 148.280 -1.223 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 40 148.803 -2.516 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 40 149.177 -2.625 -0.098 1.00 0.00 H new ATOM 702 N TYR A 41 153.429 -4.147 -2.966 1.00 0.00 N ATOM 703 CA TYR A 41 154.696 -4.410 -3.639 1.00 0.00 C ATOM 704 C TYR A 41 154.463 -5.011 -5.020 1.00 0.00 C ATOM 705 O TYR A 41 155.123 -4.637 -5.990 1.00 0.00 O ATOM 706 CB TYR A 41 155.557 -5.354 -2.798 1.00 0.00 C ATOM 707 CG TYR A 41 156.997 -5.429 -3.255 1.00 0.00 C ATOM 708 CD1 TYR A 41 157.336 -6.065 -4.442 1.00 0.00 C ATOM 709 CD2 TYR A 41 158.016 -4.864 -2.499 1.00 0.00 C ATOM 710 CE1 TYR A 41 158.649 -6.136 -4.864 1.00 0.00 C ATOM 711 CE2 TYR A 41 159.333 -4.931 -2.914 1.00 0.00 C ATOM 712 CZ TYR A 41 159.644 -5.567 -4.096 1.00 0.00 C ATOM 713 OH TYR A 41 160.953 -5.636 -4.513 1.00 0.00 O ATOM 0 H TYR A 41 153.306 -4.648 -2.086 1.00 0.00 H new ATOM 0 HA TYR A 41 155.219 -3.461 -3.759 1.00 0.00 H new ATOM 0 HB2 TYR A 41 155.531 -5.027 -1.759 1.00 0.00 H new ATOM 0 HB3 TYR A 41 155.122 -6.353 -2.829 1.00 0.00 H new ATOM 0 HD1 TYR A 41 156.560 -6.512 -5.045 1.00 0.00 H new ATOM 0 HD2 TYR A 41 157.776 -4.364 -1.572 1.00 0.00 H new ATOM 0 HE1 TYR A 41 158.896 -6.634 -5.790 1.00 0.00 H new ATOM 0 HE2 TYR A 41 160.114 -4.487 -2.315 1.00 0.00 H new ATOM 0 HH TYR A 41 161.529 -5.186 -3.860 1.00 0.00 H new ATOM 723 N LEU A 42 153.521 -5.944 -5.104 1.00 0.00 N ATOM 724 CA LEU A 42 153.200 -6.597 -6.367 1.00 0.00 C ATOM 725 C LEU A 42 152.318 -5.702 -7.233 1.00 0.00 C ATOM 726 O LEU A 42 152.390 -5.745 -8.461 1.00 0.00 O ATOM 727 CB LEU A 42 152.497 -7.932 -6.112 1.00 0.00 C ATOM 728 CG LEU A 42 153.243 -8.888 -5.179 1.00 0.00 C ATOM 729 CD1 LEU A 42 152.333 -10.025 -4.738 1.00 0.00 C ATOM 730 CD2 LEU A 42 154.488 -9.434 -5.861 1.00 0.00 C ATOM 0 H LEU A 42 152.966 -6.265 -4.311 1.00 0.00 H new ATOM 0 HA LEU A 42 154.133 -6.782 -6.899 1.00 0.00 H new ATOM 0 HB2 LEU A 42 151.512 -7.732 -5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 42 152.339 -8.431 -7.068 1.00 0.00 H new ATOM 0 HG LEU A 42 153.551 -8.333 -4.293 1.00 0.00 H new ATOM 0 HD11 LEU A 42 152.882 -10.694 -4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 42 151.471 -9.617 -4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 42 151.993 -10.579 -5.613 1.00 0.00 H new ATOM 0 HD21 LEU A 42 155.006 -10.112 -5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 42 154.201 -9.973 -6.764 1.00 0.00 H new ATOM 0 HD23 LEU A 42 155.150 -8.609 -6.125 1.00 0.00 H new ATOM 742 N LYS A 43 151.488 -4.894 -6.583 1.00 0.00 N ATOM 743 CA LYS A 43 150.591 -3.987 -7.292 1.00 0.00 C ATOM 744 C LYS A 43 151.355 -2.788 -7.846 1.00 0.00 C ATOM 745 O LYS A 43 150.976 -2.218 -8.869 1.00 0.00 O ATOM 746 CB LYS A 43 149.474 -3.511 -6.362 1.00 0.00 C ATOM 747 CG LYS A 43 148.416 -2.672 -7.061 1.00 0.00 C ATOM 748 CD LYS A 43 148.614 -1.189 -6.797 1.00 0.00 C ATOM 749 CE LYS A 43 148.175 -0.348 -7.986 1.00 0.00 C ATOM 750 NZ LYS A 43 146.741 -0.566 -8.324 1.00 0.00 N ATOM 0 H LYS A 43 151.417 -4.848 -5.567 1.00 0.00 H new ATOM 0 HA LYS A 43 150.151 -4.531 -8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 43 148.996 -4.379 -5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 43 149.911 -2.928 -5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 43 148.453 -2.859 -8.134 1.00 0.00 H new ATOM 0 HG3 LYS A 43 147.426 -2.974 -6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 43 148.046 -0.897 -5.914 1.00 0.00 H new ATOM 0 HD3 LYS A 43 149.664 -0.994 -6.580 1.00 0.00 H new ATOM 0 HE2 LYS A 43 148.339 0.707 -7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 43 148.792 -0.592 -8.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 146.447 0.120 -9.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 146.613 -1.531 -8.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 146.160 -0.440 -7.471 1.00 0.00 H new ATOM 764 N TRP A 44 152.431 -2.408 -7.164 1.00 0.00 N ATOM 765 CA TRP A 44 153.246 -1.276 -7.588 1.00 0.00 C ATOM 766 C TRP A 44 154.455 -1.746 -8.393 1.00 0.00 C ATOM 767 O TRP A 44 155.552 -1.205 -8.256 1.00 0.00 O ATOM 768 CB TRP A 44 153.710 -0.471 -6.373 1.00 0.00 C ATOM 769 CG TRP A 44 152.690 0.516 -5.891 1.00 0.00 C ATOM 770 CD1 TRP A 44 151.985 0.462 -4.724 1.00 0.00 C ATOM 771 CD2 TRP A 44 152.261 1.704 -6.565 1.00 0.00 C ATOM 772 NE1 TRP A 44 151.143 1.543 -4.630 1.00 0.00 N ATOM 773 CE2 TRP A 44 151.295 2.321 -5.749 1.00 0.00 C ATOM 774 CE3 TRP A 44 152.599 2.307 -7.779 1.00 0.00 C ATOM 775 CZ2 TRP A 44 150.666 3.510 -6.110 1.00 0.00 C ATOM 776 CZ3 TRP A 44 151.972 3.488 -8.133 1.00 0.00 C ATOM 777 CH2 TRP A 44 151.016 4.076 -7.301 1.00 0.00 C ATOM 0 H TRP A 44 152.759 -2.868 -6.315 1.00 0.00 H new ATOM 0 HA TRP A 44 152.633 -0.638 -8.225 1.00 0.00 H new ATOM 0 HB2 TRP A 44 153.953 -1.158 -5.562 1.00 0.00 H new ATOM 0 HB3 TRP A 44 154.628 0.060 -6.626 1.00 0.00 H new ATOM 0 HD1 TRP A 44 152.076 -0.318 -3.982 1.00 0.00 H new ATOM 0 HE1 TRP A 44 150.509 1.736 -3.855 1.00 0.00 H new ATOM 0 HE3 TRP A 44 153.336 1.859 -8.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 149.927 3.968 -5.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 152.226 3.964 -9.069 1.00 0.00 H new ATOM 0 HH2 TRP A 44 150.544 4.998 -7.607 1.00 0.00 H new ATOM 788 N HIS A 45 154.246 -2.754 -9.233 1.00 0.00 N ATOM 789 CA HIS A 45 155.320 -3.295 -10.059 1.00 0.00 C ATOM 790 C HIS A 45 155.217 -2.773 -11.492 1.00 0.00 C ATOM 791 O HIS A 45 154.123 -2.671 -12.046 1.00 0.00 O ATOM 792 CB HIS A 45 155.273 -4.824 -10.056 1.00 0.00 C ATOM 793 CG HIS A 45 156.627 -5.464 -10.018 1.00 0.00 C ATOM 794 ND1 HIS A 45 157.335 -5.796 -11.154 1.00 0.00 N ATOM 795 CD2 HIS A 45 157.403 -5.831 -8.971 1.00 0.00 C ATOM 796 CE1 HIS A 45 158.487 -6.342 -10.807 1.00 0.00 C ATOM 797 NE2 HIS A 45 158.553 -6.374 -9.490 1.00 0.00 N ATOM 0 H HIS A 45 153.344 -3.213 -9.360 1.00 0.00 H new ATOM 0 HA HIS A 45 156.271 -2.968 -9.638 1.00 0.00 H new ATOM 0 HB2 HIS A 45 154.697 -5.160 -9.194 1.00 0.00 H new ATOM 0 HB3 HIS A 45 154.744 -5.165 -10.946 1.00 0.00 H new ATOM 0 HD2 HIS A 45 157.163 -5.718 -7.924 1.00 0.00 H new ATOM 0 HE1 HIS A 45 159.246 -6.701 -11.486 1.00 0.00 H new ATOM 0 HE2 HIS A 45 159.332 -6.743 -8.945 1.00 0.00 H new ATOM 806 N PRO A 46 156.361 -2.435 -12.114 1.00 0.00 N ATOM 807 CA PRO A 46 156.389 -1.923 -13.487 1.00 0.00 C ATOM 808 C PRO A 46 156.129 -3.015 -14.519 1.00 0.00 C ATOM 809 O PRO A 46 155.365 -2.822 -15.464 1.00 0.00 O ATOM 810 CB PRO A 46 157.810 -1.379 -13.630 1.00 0.00 C ATOM 811 CG PRO A 46 158.622 -2.196 -12.685 1.00 0.00 C ATOM 812 CD PRO A 46 157.714 -2.522 -11.530 1.00 0.00 C ATOM 0 HA PRO A 46 155.612 -1.178 -13.662 1.00 0.00 H new ATOM 0 HB2 PRO A 46 158.172 -1.480 -14.653 1.00 0.00 H new ATOM 0 HB3 PRO A 46 157.856 -0.319 -13.379 1.00 0.00 H new ATOM 0 HG2 PRO A 46 158.983 -3.105 -13.166 1.00 0.00 H new ATOM 0 HG3 PRO A 46 159.500 -1.644 -12.347 1.00 0.00 H new ATOM 0 HD2 PRO A 46 157.915 -3.516 -11.131 1.00 0.00 H new ATOM 0 HD3 PRO A 46 157.842 -1.817 -10.709 1.00 0.00 H new ATOM 820 N ASP A 47 156.770 -4.164 -14.330 1.00 0.00 N ATOM 821 CA ASP A 47 156.609 -5.288 -15.244 1.00 0.00 C ATOM 822 C ASP A 47 155.158 -5.758 -15.281 1.00 0.00 C ATOM 823 O ASP A 47 154.688 -6.275 -16.294 1.00 0.00 O ATOM 824 CB ASP A 47 157.524 -6.443 -14.830 1.00 0.00 C ATOM 825 CG ASP A 47 158.789 -6.505 -15.663 1.00 0.00 C ATOM 826 OD1 ASP A 47 159.655 -5.622 -15.495 1.00 0.00 O ATOM 827 OD2 ASP A 47 158.913 -7.437 -16.485 1.00 0.00 O ATOM 0 H ASP A 47 157.406 -4.341 -13.552 1.00 0.00 H new ATOM 0 HA ASP A 47 156.887 -4.954 -16.244 1.00 0.00 H new ATOM 0 HB2 ASP A 47 157.790 -6.334 -13.779 1.00 0.00 H new ATOM 0 HB3 ASP A 47 156.983 -7.384 -14.926 1.00 0.00 H new ATOM 832 N LYS A 48 154.452 -5.575 -14.170 1.00 0.00 N ATOM 833 CA LYS A 48 153.054 -5.980 -14.077 1.00 0.00 C ATOM 834 C LYS A 48 152.126 -4.793 -14.316 1.00 0.00 C ATOM 835 O LYS A 48 151.042 -4.715 -13.739 1.00 0.00 O ATOM 836 CB LYS A 48 152.769 -6.597 -12.706 1.00 0.00 C ATOM 837 CG LYS A 48 153.382 -7.976 -12.522 1.00 0.00 C ATOM 838 CD LYS A 48 152.346 -9.075 -12.703 1.00 0.00 C ATOM 839 CE LYS A 48 152.548 -10.202 -11.701 1.00 0.00 C ATOM 840 NZ LYS A 48 151.256 -10.803 -11.272 1.00 0.00 N ATOM 0 H LYS A 48 154.825 -5.149 -13.322 1.00 0.00 H new ATOM 0 HA LYS A 48 152.867 -6.726 -14.849 1.00 0.00 H new ATOM 0 HB2 LYS A 48 153.150 -5.932 -11.931 1.00 0.00 H new ATOM 0 HB3 LYS A 48 151.690 -6.666 -12.565 1.00 0.00 H new ATOM 0 HG2 LYS A 48 154.190 -8.115 -13.240 1.00 0.00 H new ATOM 0 HG3 LYS A 48 153.822 -8.050 -11.528 1.00 0.00 H new ATOM 0 HD2 LYS A 48 151.346 -8.657 -12.585 1.00 0.00 H new ATOM 0 HD3 LYS A 48 152.408 -9.472 -13.716 1.00 0.00 H new ATOM 0 HE2 LYS A 48 153.177 -10.973 -12.145 1.00 0.00 H new ATOM 0 HE3 LYS A 48 153.078 -9.821 -10.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 151.438 -11.567 -10.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 150.665 -10.073 -10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 150.761 -11.190 -12.101 1.00 0.00 H new ATOM 854 N ASN A 49 152.558 -3.872 -15.171 1.00 0.00 N ATOM 855 CA ASN A 49 151.765 -2.690 -15.488 1.00 0.00 C ATOM 856 C ASN A 49 151.860 -2.354 -16.974 1.00 0.00 C ATOM 857 O ASN A 49 152.844 -2.691 -17.633 1.00 0.00 O ATOM 858 CB ASN A 49 152.231 -1.497 -14.649 1.00 0.00 C ATOM 859 CG ASN A 49 151.387 -1.302 -13.404 1.00 0.00 C ATOM 860 OD1 ASN A 49 150.158 -1.326 -13.464 1.00 0.00 O ATOM 861 ND2 ASN A 49 152.045 -1.108 -12.267 1.00 0.00 N ATOM 0 H ASN A 49 153.453 -3.922 -15.657 1.00 0.00 H new ATOM 0 HA ASN A 49 150.723 -2.906 -15.250 1.00 0.00 H new ATOM 0 HB2 ASN A 49 153.272 -1.644 -14.360 1.00 0.00 H new ATOM 0 HB3 ASN A 49 152.193 -0.592 -15.256 1.00 0.00 H new ATOM 0 HD21 ASN A 49 151.530 -0.971 -11.397 1.00 0.00 H new ATOM 0 HD22 ASN A 49 153.065 -1.096 -12.264 1.00 0.00 H new ATOM 868 N PRO A 50 150.833 -1.682 -17.524 1.00 0.00 N ATOM 869 CA PRO A 50 150.807 -1.303 -18.941 1.00 0.00 C ATOM 870 C PRO A 50 152.006 -0.448 -19.335 1.00 0.00 C ATOM 871 O PRO A 50 152.832 -0.859 -20.149 1.00 0.00 O ATOM 872 CB PRO A 50 149.508 -0.499 -19.079 1.00 0.00 C ATOM 873 CG PRO A 50 148.666 -0.926 -17.926 1.00 0.00 C ATOM 874 CD PRO A 50 149.621 -1.243 -16.811 1.00 0.00 C ATOM 0 HA PRO A 50 150.852 -2.176 -19.593 1.00 0.00 H new ATOM 0 HB2 PRO A 50 149.702 0.573 -19.050 1.00 0.00 H new ATOM 0 HB3 PRO A 50 149.013 -0.708 -20.028 1.00 0.00 H new ATOM 0 HG2 PRO A 50 147.974 -0.136 -17.634 1.00 0.00 H new ATOM 0 HG3 PRO A 50 148.064 -1.797 -18.184 1.00 0.00 H new ATOM 0 HD2 PRO A 50 149.815 -0.371 -16.186 1.00 0.00 H new ATOM 0 HD3 PRO A 50 149.233 -2.024 -16.157 1.00 0.00 H new ATOM 882 N GLU A 51 152.095 0.744 -18.753 1.00 0.00 N ATOM 883 CA GLU A 51 153.193 1.658 -19.045 1.00 0.00 C ATOM 884 C GLU A 51 153.347 2.696 -17.938 1.00 0.00 C ATOM 885 O GLU A 51 152.521 3.599 -17.802 1.00 0.00 O ATOM 886 CB GLU A 51 152.960 2.359 -20.386 1.00 0.00 C ATOM 887 CG GLU A 51 153.130 1.444 -21.588 1.00 0.00 C ATOM 888 CD GLU A 51 153.301 2.213 -22.884 1.00 0.00 C ATOM 889 OE1 GLU A 51 152.292 2.739 -23.400 1.00 0.00 O ATOM 890 OE2 GLU A 51 154.443 2.289 -23.383 1.00 0.00 O ATOM 0 H GLU A 51 151.420 1.099 -18.076 1.00 0.00 H new ATOM 0 HA GLU A 51 154.111 1.074 -19.102 1.00 0.00 H new ATOM 0 HB2 GLU A 51 151.954 2.777 -20.398 1.00 0.00 H new ATOM 0 HB3 GLU A 51 153.654 3.195 -20.475 1.00 0.00 H new ATOM 0 HG2 GLU A 51 153.998 0.803 -21.433 1.00 0.00 H new ATOM 0 HG3 GLU A 51 152.261 0.791 -21.669 1.00 0.00 H new ATOM 897 N ASN A 52 154.408 2.561 -17.150 1.00 0.00 N ATOM 898 CA ASN A 52 154.669 3.488 -16.054 1.00 0.00 C ATOM 899 C ASN A 52 155.976 3.141 -15.349 1.00 0.00 C ATOM 900 O ASN A 52 156.000 2.319 -14.433 1.00 0.00 O ATOM 901 CB ASN A 52 153.513 3.468 -15.053 1.00 0.00 C ATOM 902 CG ASN A 52 153.271 2.087 -14.475 1.00 0.00 C ATOM 903 OD1 ASN A 52 153.653 1.078 -15.067 1.00 0.00 O ATOM 904 ND2 ASN A 52 152.632 2.036 -13.312 1.00 0.00 N ATOM 0 H ASN A 52 155.101 1.819 -17.249 1.00 0.00 H new ATOM 0 HA ASN A 52 154.758 4.491 -16.472 1.00 0.00 H new ATOM 0 HB2 ASN A 52 153.726 4.166 -14.243 1.00 0.00 H new ATOM 0 HB3 ASN A 52 152.605 3.817 -15.544 1.00 0.00 H new ATOM 0 HD21 ASN A 52 152.440 1.135 -12.875 1.00 0.00 H new ATOM 0 HD22 ASN A 52 152.333 2.898 -12.856 1.00 0.00 H new ATOM 911 N HIS A 53 157.062 3.774 -15.781 1.00 0.00 N ATOM 912 CA HIS A 53 158.373 3.532 -15.192 1.00 0.00 C ATOM 913 C HIS A 53 158.656 4.520 -14.065 1.00 0.00 C ATOM 914 O HIS A 53 158.933 4.123 -12.933 1.00 0.00 O ATOM 915 CB HIS A 53 159.462 3.635 -16.261 1.00 0.00 C ATOM 916 CG HIS A 53 160.733 2.933 -15.892 1.00 0.00 C ATOM 917 ND1 HIS A 53 161.442 2.148 -16.776 1.00 0.00 N ATOM 918 CD2 HIS A 53 161.422 2.902 -14.727 1.00 0.00 C ATOM 919 CE1 HIS A 53 162.512 1.663 -16.170 1.00 0.00 C ATOM 920 NE2 HIS A 53 162.523 2.106 -14.926 1.00 0.00 N ATOM 0 H HIS A 53 157.059 4.459 -16.537 1.00 0.00 H new ATOM 0 HA HIS A 53 158.375 2.525 -14.776 1.00 0.00 H new ATOM 0 HB2 HIS A 53 159.084 3.218 -17.194 1.00 0.00 H new ATOM 0 HB3 HIS A 53 159.679 4.687 -16.447 1.00 0.00 H new ATOM 0 HD2 HIS A 53 161.155 3.409 -13.811 1.00 0.00 H new ATOM 0 HE1 HIS A 53 163.251 1.015 -16.616 1.00 0.00 H new ATOM 0 HE2 HIS A 53 163.234 1.892 -14.227 1.00 0.00 H new ATOM 929 N ASP A 54 158.585 5.809 -14.383 1.00 0.00 N ATOM 930 CA ASP A 54 158.834 6.855 -13.397 1.00 0.00 C ATOM 931 C ASP A 54 157.877 6.730 -12.215 1.00 0.00 C ATOM 932 O ASP A 54 158.259 6.963 -11.067 1.00 0.00 O ATOM 933 CB ASP A 54 158.691 8.236 -14.040 1.00 0.00 C ATOM 934 CG ASP A 54 159.258 9.340 -13.169 1.00 0.00 C ATOM 935 OD1 ASP A 54 158.748 9.531 -12.046 1.00 0.00 O ATOM 936 OD2 ASP A 54 160.213 10.013 -13.611 1.00 0.00 O ATOM 0 H ASP A 54 158.357 6.154 -15.315 1.00 0.00 H new ATOM 0 HA ASP A 54 159.853 6.736 -13.029 1.00 0.00 H new ATOM 0 HB2 ASP A 54 159.200 8.240 -15.004 1.00 0.00 H new ATOM 0 HB3 ASP A 54 157.637 8.436 -14.235 1.00 0.00 H new ATOM 941 N ILE A 55 156.633 6.364 -12.502 1.00 0.00 N ATOM 942 CA ILE A 55 155.623 6.208 -11.462 1.00 0.00 C ATOM 943 C ILE A 55 155.871 4.950 -10.638 1.00 0.00 C ATOM 944 O ILE A 55 155.832 4.983 -9.409 1.00 0.00 O ATOM 945 CB ILE A 55 154.204 6.147 -12.060 1.00 0.00 C ATOM 946 CG1 ILE A 55 153.980 7.316 -13.020 1.00 0.00 C ATOM 947 CG2 ILE A 55 153.160 6.156 -10.954 1.00 0.00 C ATOM 948 CD1 ILE A 55 152.859 7.080 -14.009 1.00 0.00 C ATOM 0 H ILE A 55 156.300 6.170 -13.446 1.00 0.00 H new ATOM 0 HA ILE A 55 155.698 7.082 -10.815 1.00 0.00 H new ATOM 0 HB ILE A 55 154.103 5.217 -12.620 1.00 0.00 H new ATOM 0 HG12 ILE A 55 153.760 8.213 -12.442 1.00 0.00 H new ATOM 0 HG13 ILE A 55 154.903 7.508 -13.568 1.00 0.00 H new ATOM 0 HG21 ILE A 55 152.164 6.113 -11.394 1.00 0.00 H new ATOM 0 HG22 ILE A 55 153.309 5.292 -10.306 1.00 0.00 H new ATOM 0 HG23 ILE A 55 153.258 7.070 -10.368 1.00 0.00 H new ATOM 0 HD11 ILE A 55 152.757 7.950 -14.658 1.00 0.00 H new ATOM 0 HD12 ILE A 55 153.086 6.201 -14.613 1.00 0.00 H new ATOM 0 HD13 ILE A 55 151.926 6.918 -13.469 1.00 0.00 H new ATOM 960 N ALA A 56 156.123 3.840 -11.324 1.00 0.00 N ATOM 961 CA ALA A 56 156.376 2.569 -10.655 1.00 0.00 C ATOM 962 C ALA A 56 157.668 2.617 -9.843 1.00 0.00 C ATOM 963 O ALA A 56 157.830 1.875 -8.876 1.00 0.00 O ATOM 964 CB ALA A 56 156.432 1.441 -11.674 1.00 0.00 C ATOM 0 H ALA A 56 156.157 3.795 -12.342 1.00 0.00 H new ATOM 0 HA ALA A 56 155.554 2.382 -9.964 1.00 0.00 H new ATOM 0 HB1 ALA A 56 156.621 0.497 -11.162 1.00 0.00 H new ATOM 0 HB2 ALA A 56 155.481 1.382 -12.204 1.00 0.00 H new ATOM 0 HB3 ALA A 56 157.233 1.634 -12.387 1.00 0.00 H new ATOM 970 N ASN A 57 158.586 3.491 -10.245 1.00 0.00 N ATOM 971 CA ASN A 57 159.863 3.629 -9.553 1.00 0.00 C ATOM 972 C ASN A 57 159.750 4.595 -8.377 1.00 0.00 C ATOM 973 O ASN A 57 160.131 4.266 -7.254 1.00 0.00 O ATOM 974 CB ASN A 57 160.942 4.115 -10.523 1.00 0.00 C ATOM 975 CG ASN A 57 162.291 3.480 -10.251 1.00 0.00 C ATOM 976 OD1 ASN A 57 163.210 4.133 -9.757 1.00 0.00 O ATOM 977 ND2 ASN A 57 162.417 2.198 -10.573 1.00 0.00 N ATOM 0 H ASN A 57 158.470 4.113 -11.045 1.00 0.00 H new ATOM 0 HA ASN A 57 160.143 2.649 -9.166 1.00 0.00 H new ATOM 0 HB2 ASN A 57 160.637 3.889 -11.545 1.00 0.00 H new ATOM 0 HB3 ASN A 57 161.032 5.199 -10.449 1.00 0.00 H new ATOM 0 HD21 ASN A 57 163.302 1.717 -10.413 1.00 0.00 H new ATOM 0 HD22 ASN A 57 161.629 1.695 -10.980 1.00 0.00 H new ATOM 984 N GLU A 58 159.229 5.790 -8.642 1.00 0.00 N ATOM 985 CA GLU A 58 159.073 6.804 -7.604 1.00 0.00 C ATOM 986 C GLU A 58 158.255 6.271 -6.430 1.00 0.00 C ATOM 987 O GLU A 58 158.445 6.690 -5.288 1.00 0.00 O ATOM 988 CB GLU A 58 158.410 8.057 -8.181 1.00 0.00 C ATOM 989 CG GLU A 58 156.965 7.845 -8.606 1.00 0.00 C ATOM 990 CD GLU A 58 155.993 8.704 -7.822 1.00 0.00 C ATOM 991 OE1 GLU A 58 156.389 9.810 -7.395 1.00 0.00 O ATOM 992 OE2 GLU A 58 154.837 8.272 -7.634 1.00 0.00 O ATOM 0 H GLU A 58 158.908 6.079 -9.566 1.00 0.00 H new ATOM 0 HA GLU A 58 160.066 7.063 -7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 58 158.447 8.852 -7.437 1.00 0.00 H new ATOM 0 HB3 GLU A 58 158.986 8.398 -9.041 1.00 0.00 H new ATOM 0 HG2 GLU A 58 156.866 8.069 -9.668 1.00 0.00 H new ATOM 0 HG3 GLU A 58 156.703 6.795 -8.476 1.00 0.00 H new ATOM 999 N VAL A 59 157.346 5.344 -6.717 1.00 0.00 N ATOM 1000 CA VAL A 59 156.504 4.755 -5.682 1.00 0.00 C ATOM 1001 C VAL A 59 157.218 3.599 -4.989 1.00 0.00 C ATOM 1002 O VAL A 59 157.019 3.358 -3.799 1.00 0.00 O ATOM 1003 CB VAL A 59 155.169 4.250 -6.261 1.00 0.00 C ATOM 1004 CG1 VAL A 59 154.259 3.743 -5.150 1.00 0.00 C ATOM 1005 CG2 VAL A 59 154.481 5.347 -7.058 1.00 0.00 C ATOM 0 H VAL A 59 157.174 4.985 -7.656 1.00 0.00 H new ATOM 0 HA VAL A 59 156.298 5.541 -4.955 1.00 0.00 H new ATOM 0 HB VAL A 59 155.381 3.420 -6.935 1.00 0.00 H new ATOM 0 HG11 VAL A 59 153.321 3.391 -5.580 1.00 0.00 H new ATOM 0 HG12 VAL A 59 154.748 2.923 -4.625 1.00 0.00 H new ATOM 0 HG13 VAL A 59 154.055 4.552 -4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 59 153.540 4.970 -7.459 1.00 0.00 H new ATOM 0 HG22 VAL A 59 154.283 6.199 -6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 59 155.126 5.659 -7.880 1.00 0.00 H new ATOM 1015 N PHE A 60 158.050 2.887 -5.742 1.00 0.00 N ATOM 1016 CA PHE A 60 158.794 1.755 -5.200 1.00 0.00 C ATOM 1017 C PHE A 60 159.794 2.217 -4.143 1.00 0.00 C ATOM 1018 O PHE A 60 159.961 1.571 -3.109 1.00 0.00 O ATOM 1019 CB PHE A 60 159.522 1.012 -6.322 1.00 0.00 C ATOM 1020 CG PHE A 60 159.092 -0.419 -6.473 1.00 0.00 C ATOM 1021 CD1 PHE A 60 159.052 -1.263 -5.374 1.00 0.00 C ATOM 1022 CD2 PHE A 60 158.727 -0.920 -7.712 1.00 0.00 C ATOM 1023 CE1 PHE A 60 158.656 -2.581 -5.509 1.00 0.00 C ATOM 1024 CE2 PHE A 60 158.331 -2.237 -7.853 1.00 0.00 C ATOM 1025 CZ PHE A 60 158.296 -3.068 -6.750 1.00 0.00 C ATOM 0 H PHE A 60 158.226 3.074 -6.729 1.00 0.00 H new ATOM 0 HA PHE A 60 158.083 1.077 -4.728 1.00 0.00 H new ATOM 0 HB2 PHE A 60 159.352 1.535 -7.263 1.00 0.00 H new ATOM 0 HB3 PHE A 60 160.595 1.042 -6.130 1.00 0.00 H new ATOM 0 HD1 PHE A 60 159.333 -0.887 -4.401 1.00 0.00 H new ATOM 0 HD2 PHE A 60 158.752 -0.274 -8.577 1.00 0.00 H new ATOM 0 HE1 PHE A 60 158.628 -3.229 -4.645 1.00 0.00 H new ATOM 0 HE2 PHE A 60 158.049 -2.616 -8.824 1.00 0.00 H new ATOM 0 HZ PHE A 60 157.987 -4.097 -6.858 1.00 0.00 H new ATOM 1035 N LYS A 61 160.459 3.336 -4.412 1.00 0.00 N ATOM 1036 CA LYS A 61 161.444 3.882 -3.486 1.00 0.00 C ATOM 1037 C LYS A 61 160.806 4.205 -2.138 1.00 0.00 C ATOM 1038 O LYS A 61 161.292 3.775 -1.092 1.00 0.00 O ATOM 1039 CB LYS A 61 162.086 5.139 -4.073 1.00 0.00 C ATOM 1040 CG LYS A 61 162.723 4.918 -5.435 1.00 0.00 C ATOM 1041 CD LYS A 61 163.812 5.941 -5.716 1.00 0.00 C ATOM 1042 CE LYS A 61 164.267 5.890 -7.166 1.00 0.00 C ATOM 1043 NZ LYS A 61 164.380 7.249 -7.762 1.00 0.00 N ATOM 0 H LYS A 61 160.333 3.882 -5.264 1.00 0.00 H new ATOM 0 HA LYS A 61 162.215 3.127 -3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 61 161.328 5.918 -4.158 1.00 0.00 H new ATOM 0 HB3 LYS A 61 162.845 5.506 -3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 61 163.145 3.914 -5.481 1.00 0.00 H new ATOM 0 HG3 LYS A 61 161.958 4.978 -6.209 1.00 0.00 H new ATOM 0 HD2 LYS A 61 163.442 6.940 -5.485 1.00 0.00 H new ATOM 0 HD3 LYS A 61 164.663 5.757 -5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 61 165.232 5.386 -7.226 1.00 0.00 H new ATOM 0 HE3 LYS A 61 163.561 5.297 -7.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 164.693 7.170 -8.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 163.454 7.721 -7.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 165.073 7.808 -7.224 1.00 0.00 H new ATOM 1057 N HIS A 62 159.717 4.965 -2.170 1.00 0.00 N ATOM 1058 CA HIS A 62 159.015 5.347 -0.950 1.00 0.00 C ATOM 1059 C HIS A 62 158.410 4.125 -0.263 1.00 0.00 C ATOM 1060 O HIS A 62 158.391 4.037 0.964 1.00 0.00 O ATOM 1061 CB HIS A 62 157.918 6.364 -1.264 1.00 0.00 C ATOM 1062 CG HIS A 62 157.325 7.000 -0.044 1.00 0.00 C ATOM 1063 ND1 HIS A 62 158.085 7.440 1.020 1.00 0.00 N ATOM 1064 CD2 HIS A 62 156.038 7.268 0.279 1.00 0.00 C ATOM 1065 CE1 HIS A 62 157.290 7.951 1.944 1.00 0.00 C ATOM 1066 NE2 HIS A 62 156.044 7.859 1.519 1.00 0.00 N ATOM 0 H HIS A 62 159.301 5.329 -3.027 1.00 0.00 H new ATOM 0 HA HIS A 62 159.739 5.801 -0.273 1.00 0.00 H new ATOM 0 HB2 HIS A 62 158.329 7.143 -1.907 1.00 0.00 H new ATOM 0 HB3 HIS A 62 157.126 5.870 -1.828 1.00 0.00 H new ATOM 0 HD2 HIS A 62 155.168 7.057 -0.326 1.00 0.00 H new ATOM 0 HE1 HIS A 62 157.606 8.372 2.887 1.00 0.00 H new ATOM 0 HE2 HIS A 62 155.219 8.175 2.029 1.00 0.00 H new ATOM 1075 N LEU A 63 157.915 3.188 -1.065 1.00 0.00 N ATOM 1076 CA LEU A 63 157.307 1.973 -0.534 1.00 0.00 C ATOM 1077 C LEU A 63 158.335 1.131 0.216 1.00 0.00 C ATOM 1078 O LEU A 63 158.103 0.720 1.353 1.00 0.00 O ATOM 1079 CB LEU A 63 156.688 1.152 -1.667 1.00 0.00 C ATOM 1080 CG LEU A 63 155.643 0.125 -1.226 1.00 0.00 C ATOM 1081 CD1 LEU A 63 154.251 0.736 -1.254 1.00 0.00 C ATOM 1082 CD2 LEU A 63 155.703 -1.110 -2.113 1.00 0.00 C ATOM 0 H LEU A 63 157.923 3.246 -2.083 1.00 0.00 H new ATOM 0 HA LEU A 63 156.524 2.265 0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 63 156.226 1.835 -2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 63 157.486 0.631 -2.196 1.00 0.00 H new ATOM 0 HG LEU A 63 155.865 -0.176 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 63 153.520 -0.008 -0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 63 154.215 1.590 -0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 63 154.018 1.065 -2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 63 154.953 -1.830 -1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 63 155.506 -0.826 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 63 156.693 -1.560 -2.043 1.00 0.00 H new ATOM 1094 N GLN A 64 159.469 0.879 -0.427 1.00 0.00 N ATOM 1095 CA GLN A 64 160.532 0.085 0.180 1.00 0.00 C ATOM 1096 C GLN A 64 161.105 0.787 1.407 1.00 0.00 C ATOM 1097 O GLN A 64 161.333 0.162 2.443 1.00 0.00 O ATOM 1098 CB GLN A 64 161.645 -0.178 -0.838 1.00 0.00 C ATOM 1099 CG GLN A 64 162.176 -1.601 -0.804 1.00 0.00 C ATOM 1100 CD GLN A 64 163.598 -1.706 -1.319 1.00 0.00 C ATOM 1101 OE1 GLN A 64 164.482 -2.221 -0.636 1.00 0.00 O ATOM 1102 NE2 GLN A 64 163.825 -1.214 -2.532 1.00 0.00 N ATOM 0 H GLN A 64 159.677 1.213 -1.368 1.00 0.00 H new ATOM 0 HA GLN A 64 160.105 -0.867 0.496 1.00 0.00 H new ATOM 0 HB2 GLN A 64 161.269 0.037 -1.838 1.00 0.00 H new ATOM 0 HB3 GLN A 64 162.467 0.512 -0.651 1.00 0.00 H new ATOM 0 HG2 GLN A 64 162.136 -1.975 0.219 1.00 0.00 H new ATOM 0 HG3 GLN A 64 161.528 -2.241 -1.403 1.00 0.00 H new ATOM 0 HE21 GLN A 64 163.062 -0.795 -3.064 1.00 0.00 H new ATOM 0 HE22 GLN A 64 164.763 -1.255 -2.932 1.00 0.00 H new ATOM 1111 N ASN A 65 161.335 2.090 1.284 1.00 0.00 N ATOM 1112 CA ASN A 65 161.882 2.878 2.383 1.00 0.00 C ATOM 1113 C ASN A 65 160.911 2.924 3.559 1.00 0.00 C ATOM 1114 O ASN A 65 161.324 3.041 4.713 1.00 0.00 O ATOM 1115 CB ASN A 65 162.198 4.298 1.910 1.00 0.00 C ATOM 1116 CG ASN A 65 163.347 4.921 2.677 1.00 0.00 C ATOM 1117 OD1 ASN A 65 164.394 5.230 2.109 1.00 0.00 O ATOM 1118 ND2 ASN A 65 163.156 5.109 3.979 1.00 0.00 N ATOM 0 H ASN A 65 161.151 2.623 0.434 1.00 0.00 H new ATOM 0 HA ASN A 65 162.803 2.400 2.717 1.00 0.00 H new ATOM 0 HB2 ASN A 65 162.442 4.278 0.848 1.00 0.00 H new ATOM 0 HB3 ASN A 65 161.310 4.921 2.021 1.00 0.00 H new ATOM 0 HD21 ASN A 65 163.894 5.524 4.548 1.00 0.00 H new ATOM 0 HD22 ASN A 65 162.272 4.838 4.409 1.00 0.00 H new ATOM 1125 N GLU A 66 159.619 2.836 3.257 1.00 0.00 N ATOM 1126 CA GLU A 66 158.589 2.869 4.290 1.00 0.00 C ATOM 1127 C GLU A 66 158.584 1.584 5.119 1.00 0.00 C ATOM 1128 O GLU A 66 157.917 1.508 6.151 1.00 0.00 O ATOM 1129 CB GLU A 66 157.213 3.087 3.655 1.00 0.00 C ATOM 1130 CG GLU A 66 156.660 4.487 3.867 1.00 0.00 C ATOM 1131 CD GLU A 66 155.428 4.762 3.025 1.00 0.00 C ATOM 1132 OE1 GLU A 66 154.871 3.801 2.452 1.00 0.00 O ATOM 1133 OE2 GLU A 66 155.021 5.940 2.937 1.00 0.00 O ATOM 0 H GLU A 66 159.261 2.741 2.307 1.00 0.00 H new ATOM 0 HA GLU A 66 158.815 3.699 4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 66 157.281 2.890 2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 66 156.512 2.362 4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 66 156.413 4.620 4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 66 157.431 5.219 3.626 1.00 0.00 H new ATOM 1140 N ILE A 67 159.323 0.576 4.663 1.00 0.00 N ATOM 1141 CA ILE A 67 159.388 -0.698 5.369 1.00 0.00 C ATOM 1142 C ILE A 67 160.466 -0.686 6.449 1.00 0.00 C ATOM 1143 O ILE A 67 160.181 -0.909 7.624 1.00 0.00 O ATOM 1144 CB ILE A 67 159.667 -1.867 4.404 1.00 0.00 C ATOM 1145 CG1 ILE A 67 158.762 -1.773 3.174 1.00 0.00 C ATOM 1146 CG2 ILE A 67 159.471 -3.198 5.113 1.00 0.00 C ATOM 1147 CD1 ILE A 67 157.287 -1.737 3.513 1.00 0.00 C ATOM 0 H ILE A 67 159.883 0.617 3.811 1.00 0.00 H new ATOM 0 HA ILE A 67 158.413 -0.841 5.835 1.00 0.00 H new ATOM 0 HB ILE A 67 160.703 -1.803 4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 67 159.020 -0.876 2.611 1.00 0.00 H new ATOM 0 HG13 ILE A 67 158.957 -2.625 2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 67 159.672 -4.013 4.418 1.00 0.00 H new ATOM 0 HG22 ILE A 67 160.156 -3.264 5.958 1.00 0.00 H new ATOM 0 HG23 ILE A 67 158.444 -3.271 5.472 1.00 0.00 H new ATOM 0 HD11 ILE A 67 156.704 -1.670 2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 67 157.015 -2.646 4.050 1.00 0.00 H new ATOM 0 HD13 ILE A 67 157.079 -0.869 4.139 1.00 0.00 H new ATOM 1159 N ASN A 68 161.705 -0.433 6.043 1.00 0.00 N ATOM 1160 CA ASN A 68 162.827 -0.403 6.976 1.00 0.00 C ATOM 1161 C ASN A 68 162.620 0.647 8.065 1.00 0.00 C ATOM 1162 O ASN A 68 162.962 0.422 9.226 1.00 0.00 O ATOM 1163 CB ASN A 68 164.135 -0.130 6.229 1.00 0.00 C ATOM 1164 CG ASN A 68 164.009 1.001 5.227 1.00 0.00 C ATOM 1165 OD1 ASN A 68 163.463 2.061 5.534 1.00 0.00 O ATOM 1166 ND2 ASN A 68 164.517 0.780 4.021 1.00 0.00 N ATOM 0 H ASN A 68 161.959 -0.245 5.073 1.00 0.00 H new ATOM 0 HA ASN A 68 162.885 -1.381 7.455 1.00 0.00 H new ATOM 0 HB2 ASN A 68 164.916 0.113 6.949 1.00 0.00 H new ATOM 0 HB3 ASN A 68 164.449 -1.036 5.711 1.00 0.00 H new ATOM 0 HD21 ASN A 68 164.464 1.504 3.305 1.00 0.00 H new ATOM 0 HD22 ASN A 68 164.961 -0.114 3.811 1.00 0.00 H new ATOM 1173 N ARG A 69 162.068 1.794 7.686 1.00 0.00 N ATOM 1174 CA ARG A 69 161.829 2.874 8.637 1.00 0.00 C ATOM 1175 C ARG A 69 160.903 2.420 9.764 1.00 0.00 C ATOM 1176 O ARG A 69 161.047 2.850 10.910 1.00 0.00 O ATOM 1177 CB ARG A 69 161.243 4.096 7.922 1.00 0.00 C ATOM 1178 CG ARG A 69 159.769 3.963 7.569 1.00 0.00 C ATOM 1179 CD ARG A 69 158.887 4.664 8.590 1.00 0.00 C ATOM 1180 NE ARG A 69 157.597 5.054 8.025 1.00 0.00 N ATOM 1181 CZ ARG A 69 157.443 6.028 7.130 1.00 0.00 C ATOM 1182 NH1 ARG A 69 158.495 6.711 6.695 1.00 0.00 N ATOM 1183 NH2 ARG A 69 156.234 6.320 6.670 1.00 0.00 N ATOM 0 H ARG A 69 161.778 2.000 6.730 1.00 0.00 H new ATOM 0 HA ARG A 69 162.786 3.152 9.079 1.00 0.00 H new ATOM 0 HB2 ARG A 69 161.376 4.973 8.556 1.00 0.00 H new ATOM 0 HB3 ARG A 69 161.810 4.275 7.008 1.00 0.00 H new ATOM 0 HG2 ARG A 69 159.591 4.386 6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 69 159.500 2.908 7.517 1.00 0.00 H new ATOM 0 HD2 ARG A 69 158.725 4.004 9.442 1.00 0.00 H new ATOM 0 HD3 ARG A 69 159.401 5.549 8.965 1.00 0.00 H new ATOM 0 HE ARG A 69 156.766 4.551 8.334 1.00 0.00 H new ATOM 0 HH11 ARG A 69 159.427 6.491 7.046 1.00 0.00 H new ATOM 0 HH12 ARG A 69 158.371 7.456 6.009 1.00 0.00 H new ATOM 0 HH21 ARG A 69 155.422 5.799 7.002 1.00 0.00 H new ATOM 0 HH22 ARG A 69 156.116 7.066 5.984 1.00 0.00 H new ATOM 1197 N LEU A 70 159.955 1.550 9.434 1.00 0.00 N ATOM 1198 CA LEU A 70 159.009 1.039 10.420 1.00 0.00 C ATOM 1199 C LEU A 70 159.502 -0.276 11.016 1.00 0.00 C ATOM 1200 O LEU A 70 159.574 -0.431 12.235 1.00 0.00 O ATOM 1201 CB LEU A 70 157.632 0.836 9.783 1.00 0.00 C ATOM 1202 CG LEU A 70 156.853 2.122 9.500 1.00 0.00 C ATOM 1203 CD1 LEU A 70 155.469 1.798 8.959 1.00 0.00 C ATOM 1204 CD2 LEU A 70 156.750 2.971 10.758 1.00 0.00 C ATOM 0 H LEU A 70 159.821 1.184 8.492 1.00 0.00 H new ATOM 0 HA LEU A 70 158.927 1.774 11.220 1.00 0.00 H new ATOM 0 HB2 LEU A 70 157.758 0.292 8.847 1.00 0.00 H new ATOM 0 HB3 LEU A 70 157.034 0.204 10.440 1.00 0.00 H new ATOM 0 HG LEU A 70 157.393 2.693 8.744 1.00 0.00 H new ATOM 0 HD11 LEU A 70 154.929 2.724 8.763 1.00 0.00 H new ATOM 0 HD12 LEU A 70 155.564 1.231 8.033 1.00 0.00 H new ATOM 0 HD13 LEU A 70 154.921 1.206 9.692 1.00 0.00 H new ATOM 0 HD21 LEU A 70 156.193 3.882 10.538 1.00 0.00 H new ATOM 0 HD22 LEU A 70 156.233 2.408 11.535 1.00 0.00 H new ATOM 0 HD23 LEU A 70 157.750 3.232 11.103 1.00 0.00 H new ATOM 1216 N GLU A 71 159.841 -1.219 10.143 1.00 0.00 N ATOM 1217 CA GLU A 71 160.328 -2.526 10.570 1.00 0.00 C ATOM 1218 C GLU A 71 161.520 -2.390 11.513 1.00 0.00 C ATOM 1219 O GLU A 71 161.734 -3.235 12.382 1.00 0.00 O ATOM 1220 CB GLU A 71 160.722 -3.361 9.349 1.00 0.00 C ATOM 1221 CG GLU A 71 160.395 -4.837 9.490 1.00 0.00 C ATOM 1222 CD GLU A 71 161.543 -5.635 10.078 1.00 0.00 C ATOM 1223 OE1 GLU A 71 162.566 -5.804 9.381 1.00 0.00 O ATOM 1224 OE2 GLU A 71 161.419 -6.091 11.233 1.00 0.00 O ATOM 0 H GLU A 71 159.787 -1.102 9.131 1.00 0.00 H new ATOM 0 HA GLU A 71 159.524 -3.028 11.109 1.00 0.00 H new ATOM 0 HB2 GLU A 71 160.212 -2.967 8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 71 161.792 -3.250 9.173 1.00 0.00 H new ATOM 0 HG2 GLU A 71 159.516 -4.952 10.124 1.00 0.00 H new ATOM 0 HG3 GLU A 71 160.138 -5.244 8.512 1.00 0.00 H new ATOM 1231 N LYS A 72 162.293 -1.324 11.335 1.00 0.00 N ATOM 1232 CA LYS A 72 163.463 -1.081 12.170 1.00 0.00 C ATOM 1233 C LYS A 72 163.053 -0.753 13.603 1.00 0.00 C ATOM 1234 O LYS A 72 163.351 -1.503 14.531 1.00 0.00 O ATOM 1235 CB LYS A 72 164.301 0.061 11.587 1.00 0.00 C ATOM 1236 CG LYS A 72 165.436 0.516 12.493 1.00 0.00 C ATOM 1237 CD LYS A 72 165.012 1.676 13.381 1.00 0.00 C ATOM 1238 CE LYS A 72 166.033 2.802 13.353 1.00 0.00 C ATOM 1239 NZ LYS A 72 165.989 3.623 14.594 1.00 0.00 N ATOM 0 H LYS A 72 162.130 -0.615 10.620 1.00 0.00 H new ATOM 0 HA LYS A 72 164.064 -1.990 12.187 1.00 0.00 H new ATOM 0 HB2 LYS A 72 164.717 -0.258 10.631 1.00 0.00 H new ATOM 0 HB3 LYS A 72 163.649 0.910 11.383 1.00 0.00 H new ATOM 0 HG2 LYS A 72 165.763 -0.318 13.114 1.00 0.00 H new ATOM 0 HG3 LYS A 72 166.290 0.815 11.885 1.00 0.00 H new ATOM 0 HD2 LYS A 72 164.044 2.053 13.051 1.00 0.00 H new ATOM 0 HD3 LYS A 72 164.885 1.324 14.405 1.00 0.00 H new ATOM 0 HE2 LYS A 72 167.032 2.383 13.230 1.00 0.00 H new ATOM 0 HE3 LYS A 72 165.846 3.440 12.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 166.723 4.359 14.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 165.054 4.071 14.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 166.159 3.014 15.420 1.00 0.00 H new ATOM 1253 N GLN A 73 162.370 0.374 13.774 1.00 0.00 N ATOM 1254 CA GLN A 73 161.924 0.800 15.095 1.00 0.00 C ATOM 1255 C GLN A 73 160.979 -0.225 15.711 1.00 0.00 C ATOM 1256 O GLN A 73 160.915 -0.370 16.932 1.00 0.00 O ATOM 1257 CB GLN A 73 161.231 2.162 15.006 1.00 0.00 C ATOM 1258 CG GLN A 73 162.180 3.309 14.706 1.00 0.00 C ATOM 1259 CD GLN A 73 161.705 4.627 15.286 1.00 0.00 C ATOM 1260 OE1 GLN A 73 160.588 4.728 15.794 1.00 0.00 O ATOM 1261 NE2 GLN A 73 162.553 5.646 15.213 1.00 0.00 N ATOM 0 H GLN A 73 162.114 1.007 13.016 1.00 0.00 H new ATOM 0 HA GLN A 73 162.801 0.886 15.736 1.00 0.00 H new ATOM 0 HB2 GLN A 73 160.467 2.121 14.230 1.00 0.00 H new ATOM 0 HB3 GLN A 73 160.719 2.362 15.947 1.00 0.00 H new ATOM 0 HG2 GLN A 73 163.166 3.074 15.107 1.00 0.00 H new ATOM 0 HG3 GLN A 73 162.291 3.411 13.626 1.00 0.00 H new ATOM 0 HE21 GLN A 73 163.469 5.517 14.783 1.00 0.00 H new ATOM 0 HE22 GLN A 73 162.288 6.557 15.587 1.00 0.00 H new ATOM 1270 N ALA A 74 160.244 -0.935 14.860 1.00 0.00 N ATOM 1271 CA ALA A 74 159.302 -1.946 15.323 1.00 0.00 C ATOM 1272 C ALA A 74 160.023 -3.222 15.747 1.00 0.00 C ATOM 1273 O ALA A 74 159.542 -3.961 16.606 1.00 0.00 O ATOM 1274 CB ALA A 74 158.281 -2.252 14.237 1.00 0.00 C ATOM 0 H ALA A 74 160.283 -0.828 13.846 1.00 0.00 H new ATOM 0 HA ALA A 74 158.783 -1.548 16.195 1.00 0.00 H new ATOM 0 HB1 ALA A 74 157.584 -3.009 14.596 1.00 0.00 H new ATOM 0 HB2 ALA A 74 157.733 -1.344 13.986 1.00 0.00 H new ATOM 0 HB3 ALA A 74 158.794 -2.623 13.350 1.00 0.00 H new