USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 443 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 114 ASN : amide:sc= -0.257 K(o=0.38,f=-5.7!) USER MOD Set 1.2: A 116 SER OG : rot -79:sc= 0.33 USER MOD Set 1.3: A 117 HIS :FLIP no HD1:sc= 0.302 F(o=-0.85,f=0.38) USER MOD Set 2.1: A 92 LYS NZ :NH3+ -164:sc= 0.73! (180deg=-7.7e-06) USER MOD Set 2.2: A 95 THR OG1 : rot 60:sc= 1.09 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0.032) USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.63! USER MOD Single : A 63 THR OG1 : rot 31:sc= 0.557 USER MOD Single : A 66 GLN : amide:sc= -2.93! C(o=-2.9!,f=-2.7!) USER MOD Single : A 69 THR OG1 : rot 180:sc=-0.000104 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0.985 K(o=0.98,f=-0.19) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 1.09 K(o=1.1,f=-0.53) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.381 X(o=-0.38,f=0) USER MOD Single : A 96 THR OG1 : rot -58:sc= 1.01 USER MOD Single : A 98 ASN : amide:sc= -0.544 K(o=-0.54,f=-2.2!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.032) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.481 USER MOD Single : A 111 SER OG : rot 131:sc= 0.474! USER MOD Single : A 115 TYR OH : rot 100:sc= -1.97 USER MOD ----------------------------------------------------------------- ATOM 229 N TYR A 59 -15.414 -2.407 -1.368 1.00 0.00 N ATOM 230 CA TYR A 59 -13.990 -2.661 -1.607 1.00 0.00 C ATOM 231 C TYR A 59 -13.161 -1.582 -0.901 1.00 0.00 C ATOM 232 O TYR A 59 -13.724 -0.690 -0.262 1.00 0.00 O ATOM 233 CB TYR A 59 -13.672 -2.660 -3.114 1.00 0.00 C ATOM 234 CG TYR A 59 -14.653 -3.440 -3.967 1.00 0.00 C ATOM 235 CD1 TYR A 59 -14.478 -4.798 -4.203 1.00 0.00 C ATOM 236 CD2 TYR A 59 -15.752 -2.814 -4.538 1.00 0.00 C ATOM 237 CE1 TYR A 59 -15.372 -5.507 -4.986 1.00 0.00 C ATOM 238 CE2 TYR A 59 -16.649 -3.518 -5.320 1.00 0.00 C ATOM 239 CZ TYR A 59 -16.455 -4.862 -5.540 1.00 0.00 C ATOM 240 OH TYR A 59 -17.352 -5.559 -6.318 1.00 0.00 O ATOM 0 HA TYR A 59 -13.739 -3.644 -1.209 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -13.645 -1.629 -3.466 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -12.674 -3.073 -3.262 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -13.631 -5.308 -3.769 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -15.909 -1.759 -4.369 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -15.221 -6.562 -5.162 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -17.499 -3.015 -5.757 1.00 0.00 H new ATOM 0 HH TYR A 59 -18.056 -4.952 -6.628 1.00 0.00 H new ATOM 250 N CYS A 60 -11.830 -1.644 -1.018 1.00 0.00 N ATOM 251 CA CYS A 60 -10.969 -0.632 -0.383 1.00 0.00 C ATOM 252 C CYS A 60 -11.374 0.771 -0.856 1.00 0.00 C ATOM 253 O CYS A 60 -11.946 0.933 -1.935 1.00 0.00 O ATOM 254 CB CYS A 60 -9.485 -0.888 -0.673 1.00 0.00 C ATOM 255 SG CYS A 60 -8.916 -2.567 -0.247 1.00 0.00 S ATOM 0 H CYS A 60 -11.330 -2.368 -1.535 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.107 -0.702 0.696 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -9.298 -0.712 -1.732 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -8.888 -0.163 -0.119 1.00 0.00 H new ATOM 260 N ASN A 61 -11.108 1.774 -0.030 1.00 0.00 N ATOM 261 CA ASN A 61 -11.488 3.159 -0.347 1.00 0.00 C ATOM 262 C ASN A 61 -10.381 3.967 -1.013 1.00 0.00 C ATOM 263 O ASN A 61 -10.273 5.174 -0.786 1.00 0.00 O ATOM 264 CB ASN A 61 -11.922 3.856 0.925 1.00 0.00 C ATOM 265 CG ASN A 61 -13.212 4.628 0.749 1.00 0.00 C ATOM 266 OD1 ASN A 61 -13.249 5.644 0.049 1.00 0.00 O ATOM 267 ND2 ASN A 61 -14.279 4.154 1.373 1.00 0.00 N ATOM 0 H ASN A 61 -10.632 1.663 0.865 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.303 3.102 -1.069 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.049 3.117 1.716 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.135 4.537 1.249 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -15.176 4.632 1.285 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.204 3.311 1.942 1.00 0.00 H new ATOM 274 N THR A 62 -9.595 3.313 -1.853 1.00 0.00 N ATOM 275 CA THR A 62 -8.508 3.963 -2.589 1.00 0.00 C ATOM 276 C THR A 62 -7.751 4.965 -1.705 1.00 0.00 C ATOM 277 O THR A 62 -8.061 6.158 -1.690 1.00 0.00 O ATOM 278 CB THR A 62 -9.097 4.646 -3.825 1.00 0.00 C ATOM 279 OG1 THR A 62 -9.518 3.685 -4.779 1.00 0.00 O ATOM 280 CG2 THR A 62 -8.148 5.595 -4.526 1.00 0.00 C ATOM 0 H THR A 62 -9.688 2.316 -2.048 1.00 0.00 H new ATOM 0 HA THR A 62 -7.781 3.212 -2.899 1.00 0.00 H new ATOM 0 HB THR A 62 -9.934 5.229 -3.441 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.893 4.142 -5.560 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.646 6.035 -5.390 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.850 6.386 -3.838 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.264 5.048 -4.856 1.00 0.00 H new ATOM 288 N THR A 63 -6.775 4.465 -0.943 1.00 0.00 N ATOM 289 CA THR A 63 -6.013 5.322 -0.027 1.00 0.00 C ATOM 290 C THR A 63 -4.509 5.004 0.003 1.00 0.00 C ATOM 291 O THR A 63 -3.965 4.390 -0.918 1.00 0.00 O ATOM 292 CB THR A 63 -6.592 5.181 1.381 1.00 0.00 C ATOM 293 OG1 THR A 63 -6.069 6.181 2.235 1.00 0.00 O ATOM 294 CG2 THR A 63 -6.304 3.837 2.019 1.00 0.00 C ATOM 0 H THR A 63 -6.495 3.484 -0.940 1.00 0.00 H new ATOM 0 HA THR A 63 -6.106 6.344 -0.393 1.00 0.00 H new ATOM 0 HB THR A 63 -7.671 5.282 1.262 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.876 6.988 1.714 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.743 3.806 3.016 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.735 3.044 1.408 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.226 3.693 2.093 1.00 0.00 H new ATOM 302 N LEU A 64 -3.855 5.442 1.086 1.00 0.00 N ATOM 303 CA LEU A 64 -2.421 5.235 1.300 1.00 0.00 C ATOM 304 C LEU A 64 -2.176 4.558 2.657 1.00 0.00 C ATOM 305 O LEU A 64 -3.023 4.627 3.550 1.00 0.00 O ATOM 306 CB LEU A 64 -1.695 6.587 1.242 1.00 0.00 C ATOM 307 CG LEU A 64 -0.186 6.520 1.002 1.00 0.00 C ATOM 308 CD1 LEU A 64 0.126 6.675 -0.476 1.00 0.00 C ATOM 309 CD2 LEU A 64 0.525 7.596 1.807 1.00 0.00 C ATOM 0 H LEU A 64 -4.311 5.953 1.842 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.033 4.584 0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.144 7.186 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.872 7.114 2.179 1.00 0.00 H new ATOM 0 HG LEU A 64 0.172 5.544 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.204 6.625 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.357 5.874 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.245 7.638 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.598 7.536 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.160 8.578 1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.327 7.447 2.868 1.00 0.00 H new ATOM 321 N ASP A 65 -1.025 3.895 2.807 1.00 0.00 N ATOM 322 CA ASP A 65 -0.705 3.202 4.062 1.00 0.00 C ATOM 323 C ASP A 65 0.643 3.642 4.652 1.00 0.00 C ATOM 324 O ASP A 65 1.650 2.943 4.516 1.00 0.00 O ATOM 325 CB ASP A 65 -0.710 1.688 3.835 1.00 0.00 C ATOM 326 CG ASP A 65 -1.065 0.917 5.083 1.00 0.00 C ATOM 327 OD1 ASP A 65 -0.164 0.685 5.919 1.00 0.00 O ATOM 328 OD2 ASP A 65 -2.243 0.544 5.220 1.00 0.00 O ATOM 0 H ASP A 65 -0.307 3.823 2.086 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.474 3.472 4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.422 1.445 3.047 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.273 1.373 3.485 1.00 0.00 H new ATOM 333 N GLN A 66 0.644 4.798 5.329 1.00 0.00 N ATOM 334 CA GLN A 66 1.850 5.348 5.973 1.00 0.00 C ATOM 335 C GLN A 66 2.968 5.640 4.966 1.00 0.00 C ATOM 336 O GLN A 66 3.397 6.786 4.821 1.00 0.00 O ATOM 337 CB GLN A 66 2.358 4.388 7.058 1.00 0.00 C ATOM 338 CG GLN A 66 3.280 5.049 8.078 1.00 0.00 C ATOM 339 CD GLN A 66 4.751 4.909 7.728 1.00 0.00 C ATOM 340 OE1 GLN A 66 5.424 3.992 8.193 1.00 0.00 O ATOM 341 NE2 GLN A 66 5.259 5.817 6.909 1.00 0.00 N ATOM 0 H GLN A 66 -0.187 5.378 5.447 1.00 0.00 H new ATOM 0 HA GLN A 66 1.566 6.297 6.428 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.503 3.958 7.579 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.889 3.564 6.582 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.030 6.107 8.154 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.102 4.608 9.059 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.667 6.563 6.544 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.243 5.770 6.643 1.00 0.00 H new ATOM 350 N ILE A 67 3.430 4.603 4.273 1.00 0.00 N ATOM 351 CA ILE A 67 4.488 4.747 3.273 1.00 0.00 C ATOM 352 C ILE A 67 3.893 5.222 1.947 1.00 0.00 C ATOM 353 O ILE A 67 2.669 5.278 1.794 1.00 0.00 O ATOM 354 CB ILE A 67 5.279 3.427 3.022 1.00 0.00 C ATOM 355 CG1 ILE A 67 4.920 2.328 4.032 1.00 0.00 C ATOM 356 CG2 ILE A 67 6.776 3.699 3.062 1.00 0.00 C ATOM 357 CD1 ILE A 67 5.349 2.633 5.452 1.00 0.00 C ATOM 0 H ILE A 67 3.087 3.649 4.385 1.00 0.00 H new ATOM 0 HA ILE A 67 5.188 5.481 3.672 1.00 0.00 H new ATOM 0 HB ILE A 67 4.996 3.065 2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.841 2.171 4.015 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.383 1.393 3.716 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.319 2.771 2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.035 4.423 2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.047 4.098 4.039 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.060 1.809 6.104 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.431 2.760 5.486 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.866 3.550 5.789 1.00 0.00 H new ATOM 369 N GLY A 68 4.750 5.546 0.977 1.00 0.00 N ATOM 370 CA GLY A 68 4.262 5.991 -0.326 1.00 0.00 C ATOM 371 C GLY A 68 3.598 4.862 -1.099 1.00 0.00 C ATOM 372 O GLY A 68 3.985 4.560 -2.227 1.00 0.00 O ATOM 0 H GLY A 68 5.765 5.510 1.067 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.550 6.805 -0.188 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.093 6.390 -0.908 1.00 0.00 H new ATOM 376 N THR A 69 2.607 4.230 -0.480 1.00 0.00 N ATOM 377 CA THR A 69 1.894 3.115 -1.090 1.00 0.00 C ATOM 378 C THR A 69 0.416 3.447 -1.288 1.00 0.00 C ATOM 379 O THR A 69 -0.352 3.505 -0.329 1.00 0.00 O ATOM 380 CB THR A 69 2.033 1.859 -0.218 1.00 0.00 C ATOM 381 OG1 THR A 69 2.981 2.046 0.822 1.00 0.00 O ATOM 382 CG2 THR A 69 2.460 0.639 -0.992 1.00 0.00 C ATOM 0 H THR A 69 2.277 4.475 0.454 1.00 0.00 H new ATOM 0 HA THR A 69 2.337 2.927 -2.068 1.00 0.00 H new ATOM 0 HB THR A 69 1.034 1.697 0.187 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.043 1.228 1.359 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.539 -0.212 -0.315 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.722 0.421 -1.764 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.428 0.824 -1.457 1.00 0.00 H new ATOM 390 N CYS A 70 0.025 3.657 -2.545 1.00 0.00 N ATOM 391 CA CYS A 70 -1.367 3.972 -2.878 1.00 0.00 C ATOM 392 C CYS A 70 -2.154 2.687 -3.122 1.00 0.00 C ATOM 393 O CYS A 70 -1.701 1.801 -3.852 1.00 0.00 O ATOM 394 CB CYS A 70 -1.437 4.876 -4.114 1.00 0.00 C ATOM 395 SG CYS A 70 -2.916 5.942 -4.174 1.00 0.00 S ATOM 0 H CYS A 70 0.651 3.615 -3.350 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.810 4.504 -2.036 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.547 5.505 -4.142 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.415 4.253 -5.008 1.00 0.00 H new ATOM 0 HG CYS A 70 -2.884 6.669 -5.251 1.00 0.00 H new ATOM 400 N TRP A 71 -3.321 2.575 -2.496 1.00 0.00 N ATOM 401 CA TRP A 71 -4.148 1.377 -2.637 1.00 0.00 C ATOM 402 C TRP A 71 -5.579 1.710 -3.048 1.00 0.00 C ATOM 403 O TRP A 71 -6.398 2.076 -2.202 1.00 0.00 O ATOM 404 CB TRP A 71 -4.184 0.593 -1.327 1.00 0.00 C ATOM 405 CG TRP A 71 -2.891 0.580 -0.583 1.00 0.00 C ATOM 406 CD1 TRP A 71 -2.460 1.495 0.330 1.00 0.00 C ATOM 407 CD2 TRP A 71 -1.868 -0.407 -0.684 1.00 0.00 C ATOM 408 NE1 TRP A 71 -1.219 1.138 0.798 1.00 0.00 N ATOM 409 CE2 TRP A 71 -0.839 -0.030 0.193 1.00 0.00 C ATOM 410 CE3 TRP A 71 -1.723 -1.577 -1.433 1.00 0.00 C ATOM 411 CZ2 TRP A 71 0.318 -0.780 0.343 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -0.574 -2.323 -1.285 1.00 0.00 C ATOM 413 CH2 TRP A 71 0.434 -1.923 -0.403 1.00 0.00 C ATOM 0 H TRP A 71 -3.716 3.293 -1.889 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.693 0.775 -3.424 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.955 1.018 -0.684 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -4.477 -0.435 -1.540 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -3.012 2.370 0.639 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.671 1.658 1.483 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -2.498 -1.891 -2.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 1.099 -0.474 1.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -0.450 -3.230 -1.859 1.00 0.00 H new ATOM 0 HH2 TRP A 71 1.323 -2.528 -0.308 1.00 0.00 H new ATOM 424 N PRO A 72 -5.904 1.560 -4.349 1.00 0.00 N ATOM 425 CA PRO A 72 -7.253 1.824 -4.862 1.00 0.00 C ATOM 426 C PRO A 72 -8.276 0.789 -4.387 1.00 0.00 C ATOM 427 O PRO A 72 -7.945 -0.130 -3.628 1.00 0.00 O ATOM 428 CB PRO A 72 -7.078 1.747 -6.378 1.00 0.00 C ATOM 429 CG PRO A 72 -5.897 0.861 -6.582 1.00 0.00 C ATOM 430 CD PRO A 72 -4.987 1.100 -5.409 1.00 0.00 C ATOM 0 HA PRO A 72 -7.639 2.781 -4.511 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.967 1.338 -6.858 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.910 2.735 -6.807 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.199 -0.185 -6.634 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.393 1.094 -7.520 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.461 0.191 -5.118 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.228 1.849 -5.636 1.00 0.00 H new ATOM 438 N GLN A 73 -9.519 0.943 -4.839 1.00 0.00 N ATOM 439 CA GLN A 73 -10.589 0.021 -4.470 1.00 0.00 C ATOM 440 C GLN A 73 -10.226 -1.412 -4.884 1.00 0.00 C ATOM 441 O GLN A 73 -10.154 -1.740 -6.070 1.00 0.00 O ATOM 442 CB GLN A 73 -11.931 0.499 -5.066 1.00 0.00 C ATOM 443 CG GLN A 73 -12.539 -0.397 -6.140 1.00 0.00 C ATOM 444 CD GLN A 73 -12.228 0.081 -7.546 1.00 0.00 C ATOM 445 OE1 GLN A 73 -12.858 1.004 -8.056 1.00 0.00 O ATOM 446 NE2 GLN A 73 -11.247 -0.543 -8.182 1.00 0.00 N ATOM 0 H GLN A 73 -9.809 1.698 -5.461 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.709 0.012 -3.387 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -12.651 0.601 -4.254 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.785 1.493 -5.489 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.164 -1.413 -6.015 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -13.620 -0.437 -6.005 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -10.747 -1.305 -7.725 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.992 -0.261 -9.128 1.00 0.00 H new ATOM 455 N SER A 74 -9.965 -2.247 -3.882 1.00 0.00 N ATOM 456 CA SER A 74 -9.581 -3.638 -4.104 1.00 0.00 C ATOM 457 C SER A 74 -10.665 -4.594 -3.600 1.00 0.00 C ATOM 458 O SER A 74 -11.424 -5.154 -4.389 1.00 0.00 O ATOM 459 CB SER A 74 -8.242 -3.920 -3.406 1.00 0.00 C ATOM 460 OG SER A 74 -7.561 -5.002 -4.021 1.00 0.00 O ATOM 0 H SER A 74 -10.013 -1.981 -2.899 1.00 0.00 H new ATOM 0 HA SER A 74 -9.467 -3.804 -5.175 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.617 -3.028 -3.439 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.418 -4.148 -2.355 1.00 0.00 H new ATOM 0 HG SER A 74 -6.711 -5.159 -3.558 1.00 0.00 H new ATOM 466 N ALA A 75 -10.730 -4.760 -2.277 1.00 0.00 N ATOM 467 CA ALA A 75 -11.711 -5.632 -1.633 1.00 0.00 C ATOM 468 C ALA A 75 -11.549 -5.574 -0.112 1.00 0.00 C ATOM 469 O ALA A 75 -10.455 -5.298 0.388 1.00 0.00 O ATOM 470 CB ALA A 75 -11.560 -7.065 -2.130 1.00 0.00 C ATOM 0 H ALA A 75 -10.103 -4.292 -1.623 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.711 -5.283 -1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.298 -7.700 -1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.715 -7.094 -3.209 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.559 -7.427 -1.897 1.00 0.00 H new ATOM 476 N PRO A 76 -12.625 -5.832 0.650 1.00 0.00 N ATOM 477 CA PRO A 76 -12.570 -5.804 2.114 1.00 0.00 C ATOM 478 C PRO A 76 -11.909 -7.064 2.675 1.00 0.00 C ATOM 479 O PRO A 76 -12.411 -8.175 2.493 1.00 0.00 O ATOM 480 CB PRO A 76 -14.044 -5.715 2.508 1.00 0.00 C ATOM 481 CG PRO A 76 -14.769 -6.418 1.411 1.00 0.00 C ATOM 482 CD PRO A 76 -13.972 -6.179 0.154 1.00 0.00 C ATOM 0 HA PRO A 76 -11.973 -4.981 2.507 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.226 -6.190 3.472 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -14.369 -4.678 2.597 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -14.852 -7.484 1.621 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -15.784 -6.033 1.307 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -13.949 -7.066 -0.479 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -14.398 -5.373 -0.443 1.00 0.00 H new ATOM 490 N GLY A 77 -10.767 -6.880 3.335 1.00 0.00 N ATOM 491 CA GLY A 77 -10.028 -8.003 3.892 1.00 0.00 C ATOM 492 C GLY A 77 -9.108 -8.629 2.862 1.00 0.00 C ATOM 493 O GLY A 77 -9.189 -9.824 2.596 1.00 0.00 O ATOM 0 H GLY A 77 -10.338 -5.968 3.495 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.442 -7.666 4.747 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.728 -8.753 4.260 1.00 0.00 H new ATOM 497 N ALA A 78 -8.238 -7.811 2.265 1.00 0.00 N ATOM 498 CA ALA A 78 -7.318 -8.288 1.242 1.00 0.00 C ATOM 499 C ALA A 78 -5.898 -7.772 1.462 1.00 0.00 C ATOM 500 O ALA A 78 -5.674 -6.572 1.631 1.00 0.00 O ATOM 501 CB ALA A 78 -7.820 -7.880 -0.138 1.00 0.00 C ATOM 0 H ALA A 78 -8.155 -6.816 2.476 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.282 -9.375 1.311 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.127 -8.240 -0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.805 -8.314 -0.310 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.888 -6.794 -0.194 1.00 0.00 H new ATOM 507 N LEU A 79 -4.944 -8.690 1.435 1.00 0.00 N ATOM 508 CA LEU A 79 -3.532 -8.352 1.604 1.00 0.00 C ATOM 509 C LEU A 79 -2.862 -8.179 0.237 1.00 0.00 C ATOM 510 O LEU A 79 -2.758 -9.127 -0.539 1.00 0.00 O ATOM 511 CB LEU A 79 -2.826 -9.437 2.424 1.00 0.00 C ATOM 512 CG LEU A 79 -1.402 -9.099 2.868 1.00 0.00 C ATOM 513 CD1 LEU A 79 -1.142 -9.621 4.272 1.00 0.00 C ATOM 514 CD2 LEU A 79 -0.400 -9.680 1.885 1.00 0.00 C ATOM 0 H LEU A 79 -5.121 -9.685 1.297 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.454 -7.408 2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.425 -9.647 3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.797 -10.353 1.835 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.287 -8.015 2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.124 -9.371 4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.846 -9.163 4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.269 -10.703 4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.611 -9.435 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.516 -10.763 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.576 -9.260 0.895 1.00 0.00 H new ATOM 526 N VAL A 80 -2.429 -6.953 -0.054 1.00 0.00 N ATOM 527 CA VAL A 80 -1.790 -6.639 -1.335 1.00 0.00 C ATOM 528 C VAL A 80 -0.271 -6.476 -1.198 1.00 0.00 C ATOM 529 O VAL A 80 0.237 -6.104 -0.137 1.00 0.00 O ATOM 530 CB VAL A 80 -2.395 -5.352 -1.948 1.00 0.00 C ATOM 531 CG1 VAL A 80 -1.772 -5.044 -3.303 1.00 0.00 C ATOM 532 CG2 VAL A 80 -3.906 -5.480 -2.077 1.00 0.00 C ATOM 0 H VAL A 80 -2.509 -6.158 0.580 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.981 -7.483 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.171 -4.524 -1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.216 -4.135 -3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.698 -4.902 -3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.956 -5.874 -3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.313 -4.566 -2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.146 -6.325 -2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.343 -5.641 -1.091 1.00 0.00 H new ATOM 542 N GLU A 81 0.444 -6.761 -2.289 1.00 0.00 N ATOM 543 CA GLU A 81 1.906 -6.657 -2.314 1.00 0.00 C ATOM 544 C GLU A 81 2.373 -5.362 -2.990 1.00 0.00 C ATOM 545 O GLU A 81 1.626 -4.730 -3.742 1.00 0.00 O ATOM 546 CB GLU A 81 2.507 -7.862 -3.046 1.00 0.00 C ATOM 547 CG GLU A 81 2.841 -9.031 -2.133 1.00 0.00 C ATOM 548 CD GLU A 81 1.638 -9.899 -1.833 1.00 0.00 C ATOM 549 OE1 GLU A 81 1.338 -10.800 -2.643 1.00 0.00 O ATOM 550 OE2 GLU A 81 0.998 -9.675 -0.786 1.00 0.00 O ATOM 0 H GLU A 81 0.032 -7.067 -3.171 1.00 0.00 H new ATOM 0 HA GLU A 81 2.251 -6.642 -1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.805 -8.198 -3.809 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.413 -7.546 -3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.617 -9.640 -2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.252 -8.651 -1.198 1.00 0.00 H new ATOM 557 N ARG A 82 3.626 -4.992 -2.718 1.00 0.00 N ATOM 558 CA ARG A 82 4.238 -3.790 -3.288 1.00 0.00 C ATOM 559 C ARG A 82 5.763 -3.935 -3.331 1.00 0.00 C ATOM 560 O ARG A 82 6.374 -4.389 -2.361 1.00 0.00 O ATOM 561 CB ARG A 82 3.853 -2.552 -2.473 1.00 0.00 C ATOM 562 CG ARG A 82 2.398 -2.142 -2.638 1.00 0.00 C ATOM 563 CD ARG A 82 2.074 -1.784 -4.081 1.00 0.00 C ATOM 564 NE ARG A 82 0.918 -0.883 -4.200 1.00 0.00 N ATOM 565 CZ ARG A 82 0.268 -0.659 -5.338 1.00 0.00 C ATOM 566 NH1 ARG A 82 0.611 -1.304 -6.436 1.00 0.00 N ATOM 567 NH2 ARG A 82 -0.730 0.199 -5.382 1.00 0.00 N ATOM 0 H ARG A 82 4.244 -5.516 -2.098 1.00 0.00 H new ATOM 0 HA ARG A 82 3.867 -3.668 -4.306 1.00 0.00 H new ATOM 0 HB2 ARG A 82 4.050 -2.746 -1.419 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.492 -1.720 -2.769 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.751 -2.956 -2.311 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.185 -1.288 -1.995 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.944 -1.313 -4.538 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.876 -2.698 -4.641 1.00 0.00 H new ATOM 0 HE ARG A 82 0.596 -0.402 -3.360 1.00 0.00 H new ATOM 0 HH11 ARG A 82 1.377 -1.977 -6.414 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.110 -1.130 -7.307 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -1.011 0.699 -4.538 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -1.222 0.364 -6.260 1.00 0.00 H new ATOM 581 N PRO A 83 6.398 -3.556 -4.462 1.00 0.00 N ATOM 582 CA PRO A 83 7.865 -3.659 -4.638 1.00 0.00 C ATOM 583 C PRO A 83 8.689 -2.715 -3.744 1.00 0.00 C ATOM 584 O PRO A 83 9.668 -2.121 -4.205 1.00 0.00 O ATOM 585 CB PRO A 83 8.064 -3.296 -6.115 1.00 0.00 C ATOM 586 CG PRO A 83 6.882 -2.463 -6.466 1.00 0.00 C ATOM 587 CD PRO A 83 5.740 -3.013 -5.665 1.00 0.00 C ATOM 0 HA PRO A 83 8.216 -4.651 -4.354 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.993 -2.747 -6.265 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.117 -4.189 -6.738 1.00 0.00 H new ATOM 0 HG2 PRO A 83 7.058 -1.414 -6.226 1.00 0.00 H new ATOM 0 HG3 PRO A 83 6.671 -2.515 -7.534 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.016 -2.238 -5.412 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.201 -3.786 -6.212 1.00 0.00 H new ATOM 595 N CYS A 84 8.320 -2.611 -2.461 1.00 0.00 N ATOM 596 CA CYS A 84 9.044 -1.767 -1.498 1.00 0.00 C ATOM 597 C CYS A 84 9.126 -0.298 -1.952 1.00 0.00 C ATOM 598 O CYS A 84 8.809 0.035 -3.098 1.00 0.00 O ATOM 599 CB CYS A 84 10.453 -2.340 -1.274 1.00 0.00 C ATOM 600 SG CYS A 84 10.466 -4.113 -0.831 1.00 0.00 S ATOM 0 H CYS A 84 7.520 -3.103 -2.063 1.00 0.00 H new ATOM 0 HA CYS A 84 8.487 -1.776 -0.561 1.00 0.00 H new ATOM 0 HB2 CYS A 84 11.042 -2.197 -2.180 1.00 0.00 H new ATOM 0 HB3 CYS A 84 10.944 -1.774 -0.483 1.00 0.00 H new ATOM 605 N PRO A 85 9.554 0.617 -1.056 1.00 0.00 N ATOM 606 CA PRO A 85 9.676 2.041 -1.385 1.00 0.00 C ATOM 607 C PRO A 85 10.926 2.325 -2.227 1.00 0.00 C ATOM 608 O PRO A 85 11.879 2.949 -1.753 1.00 0.00 O ATOM 609 CB PRO A 85 9.765 2.702 -0.008 1.00 0.00 C ATOM 610 CG PRO A 85 10.417 1.678 0.856 1.00 0.00 C ATOM 611 CD PRO A 85 9.956 0.341 0.341 1.00 0.00 C ATOM 0 HA PRO A 85 8.847 2.412 -1.988 1.00 0.00 H new ATOM 0 HB2 PRO A 85 10.351 3.621 -0.046 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.778 2.969 0.369 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.503 1.761 0.807 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.134 1.812 1.900 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.753 -0.402 0.388 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.123 -0.047 0.927 1.00 0.00 H new ATOM 619 N GLU A 86 10.907 1.833 -3.476 1.00 0.00 N ATOM 620 CA GLU A 86 12.029 1.988 -4.416 1.00 0.00 C ATOM 621 C GLU A 86 12.858 3.249 -4.161 1.00 0.00 C ATOM 622 O GLU A 86 12.415 4.368 -4.424 1.00 0.00 O ATOM 623 CB GLU A 86 11.537 1.973 -5.863 1.00 0.00 C ATOM 624 CG GLU A 86 12.637 2.315 -6.863 1.00 0.00 C ATOM 625 CD GLU A 86 13.109 1.143 -7.704 1.00 0.00 C ATOM 626 OE1 GLU A 86 12.357 0.158 -7.850 1.00 0.00 O ATOM 627 OE2 GLU A 86 14.249 1.214 -8.216 1.00 0.00 O ATOM 0 H GLU A 86 10.116 1.318 -3.862 1.00 0.00 H new ATOM 0 HA GLU A 86 12.683 1.133 -4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.134 0.987 -6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.719 2.685 -5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.276 3.100 -7.527 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.490 2.723 -6.321 1.00 0.00 H new ATOM 634 N TYR A 87 14.073 3.025 -3.658 1.00 0.00 N ATOM 635 CA TYR A 87 15.042 4.080 -3.349 1.00 0.00 C ATOM 636 C TYR A 87 14.391 5.405 -2.912 1.00 0.00 C ATOM 637 O TYR A 87 14.161 6.316 -3.706 1.00 0.00 O ATOM 638 CB TYR A 87 16.018 4.260 -4.537 1.00 0.00 C ATOM 639 CG TYR A 87 15.702 5.391 -5.498 1.00 0.00 C ATOM 640 CD1 TYR A 87 14.620 5.316 -6.368 1.00 0.00 C ATOM 641 CD2 TYR A 87 16.492 6.535 -5.535 1.00 0.00 C ATOM 642 CE1 TYR A 87 14.336 6.345 -7.245 1.00 0.00 C ATOM 643 CE2 TYR A 87 16.212 7.568 -6.409 1.00 0.00 C ATOM 644 CZ TYR A 87 15.133 7.467 -7.261 1.00 0.00 C ATOM 645 OH TYR A 87 14.854 8.493 -8.132 1.00 0.00 O ATOM 0 H TYR A 87 14.418 2.088 -3.450 1.00 0.00 H new ATOM 0 HA TYR A 87 15.611 3.757 -2.477 1.00 0.00 H new ATOM 0 HB2 TYR A 87 17.019 4.420 -4.137 1.00 0.00 H new ATOM 0 HB3 TYR A 87 16.046 3.328 -5.102 1.00 0.00 H new ATOM 0 HD1 TYR A 87 13.991 4.438 -6.358 1.00 0.00 H new ATOM 0 HD2 TYR A 87 17.339 6.617 -4.869 1.00 0.00 H new ATOM 0 HE1 TYR A 87 13.492 6.269 -7.915 1.00 0.00 H new ATOM 0 HE2 TYR A 87 16.835 8.450 -6.425 1.00 0.00 H new ATOM 0 HH TYR A 87 15.512 9.210 -8.014 1.00 0.00 H new ATOM 655 N PHE A 88 14.129 5.523 -1.615 1.00 0.00 N ATOM 656 CA PHE A 88 13.549 6.749 -1.074 1.00 0.00 C ATOM 657 C PHE A 88 14.653 7.650 -0.504 1.00 0.00 C ATOM 658 O PHE A 88 14.441 8.380 0.466 1.00 0.00 O ATOM 659 CB PHE A 88 12.496 6.422 -0.010 1.00 0.00 C ATOM 660 CG PHE A 88 11.094 6.717 -0.461 1.00 0.00 C ATOM 661 CD1 PHE A 88 10.393 5.808 -1.241 1.00 0.00 C ATOM 662 CD2 PHE A 88 10.479 7.907 -0.111 1.00 0.00 C ATOM 663 CE1 PHE A 88 9.105 6.083 -1.660 1.00 0.00 C ATOM 664 CE2 PHE A 88 9.191 8.188 -0.529 1.00 0.00 C ATOM 665 CZ PHE A 88 8.504 7.273 -1.304 1.00 0.00 C ATOM 0 H PHE A 88 14.306 4.794 -0.924 1.00 0.00 H new ATOM 0 HA PHE A 88 13.052 7.289 -1.880 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.572 5.368 0.256 1.00 0.00 H new ATOM 0 HB3 PHE A 88 12.709 6.995 0.892 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.859 4.876 -1.524 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.011 8.624 0.496 1.00 0.00 H new ATOM 0 HE1 PHE A 88 8.569 5.367 -2.266 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.723 9.121 -0.250 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.498 7.489 -1.631 1.00 0.00 H new ATOM 675 N ASN A 89 15.835 7.584 -1.135 1.00 0.00 N ATOM 676 CA ASN A 89 17.005 8.371 -0.734 1.00 0.00 C ATOM 677 C ASN A 89 18.249 7.908 -1.505 1.00 0.00 C ATOM 678 O ASN A 89 18.147 7.095 -2.431 1.00 0.00 O ATOM 679 CB ASN A 89 17.248 8.246 0.777 1.00 0.00 C ATOM 680 CG ASN A 89 17.156 9.581 1.487 1.00 0.00 C ATOM 681 OD1 ASN A 89 18.170 10.199 1.805 1.00 0.00 O ATOM 682 ND2 ASN A 89 15.939 10.036 1.731 1.00 0.00 N ATOM 0 H ASN A 89 16.004 6.981 -1.940 1.00 0.00 H new ATOM 0 HA ASN A 89 16.811 9.417 -0.971 1.00 0.00 H new ATOM 0 HB2 ASN A 89 16.518 7.559 1.204 1.00 0.00 H new ATOM 0 HB3 ASN A 89 18.233 7.812 0.950 1.00 0.00 H new ATOM 0 HD21 ASN A 89 15.814 10.933 2.201 1.00 0.00 H new ATOM 0 HD22 ASN A 89 15.125 9.490 1.450 1.00 0.00 H new ATOM 689 N GLY A 90 19.422 8.417 -1.115 1.00 0.00 N ATOM 690 CA GLY A 90 20.668 8.037 -1.773 1.00 0.00 C ATOM 691 C GLY A 90 21.063 6.600 -1.475 1.00 0.00 C ATOM 692 O GLY A 90 22.077 6.348 -0.826 1.00 0.00 O ATOM 0 H GLY A 90 19.531 9.087 -0.354 1.00 0.00 H new ATOM 0 HA2 GLY A 90 20.562 8.166 -2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 90 21.466 8.705 -1.449 1.00 0.00 H new ATOM 696 N ILE A 91 20.245 5.664 -1.943 1.00 0.00 N ATOM 697 CA ILE A 91 20.483 4.236 -1.722 1.00 0.00 C ATOM 698 C ILE A 91 20.382 3.447 -3.025 1.00 0.00 C ATOM 699 O ILE A 91 21.386 2.999 -3.580 1.00 0.00 O ATOM 700 CB ILE A 91 19.483 3.652 -0.689 1.00 0.00 C ATOM 701 CG1 ILE A 91 18.218 4.519 -0.598 1.00 0.00 C ATOM 702 CG2 ILE A 91 20.134 3.521 0.681 1.00 0.00 C ATOM 703 CD1 ILE A 91 17.288 4.134 0.527 1.00 0.00 C ATOM 0 H ILE A 91 19.404 5.868 -2.483 1.00 0.00 H new ATOM 0 HA ILE A 91 21.495 4.141 -1.329 1.00 0.00 H new ATOM 0 HB ILE A 91 19.194 2.658 -1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 91 18.513 5.561 -0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 91 17.676 4.453 -1.542 1.00 0.00 H new ATOM 0 HG21 ILE A 91 19.414 3.110 1.388 1.00 0.00 H new ATOM 0 HG22 ILE A 91 20.995 2.857 0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 91 20.460 4.503 1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 91 16.420 4.793 0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 91 16.961 3.103 0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 91 17.810 4.228 1.479 1.00 0.00 H new ATOM 715 N LYS A 92 19.154 3.303 -3.491 1.00 0.00 N ATOM 716 CA LYS A 92 18.828 2.589 -4.729 1.00 0.00 C ATOM 717 C LYS A 92 19.500 1.211 -4.819 1.00 0.00 C ATOM 718 O LYS A 92 20.562 1.051 -5.423 1.00 0.00 O ATOM 719 CB LYS A 92 19.196 3.451 -5.931 1.00 0.00 C ATOM 720 CG LYS A 92 18.974 2.775 -7.281 1.00 0.00 C ATOM 721 CD LYS A 92 17.532 2.307 -7.457 1.00 0.00 C ATOM 722 CE LYS A 92 17.363 0.843 -7.075 1.00 0.00 C ATOM 723 NZ LYS A 92 16.437 0.128 -7.997 1.00 0.00 N ATOM 0 H LYS A 92 18.335 3.683 -3.016 1.00 0.00 H new ATOM 0 HA LYS A 92 17.754 2.404 -4.726 1.00 0.00 H new ATOM 0 HB2 LYS A 92 18.610 4.370 -5.897 1.00 0.00 H new ATOM 0 HB3 LYS A 92 20.244 3.738 -5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 92 19.229 3.470 -8.081 1.00 0.00 H new ATOM 0 HG3 LYS A 92 19.646 1.922 -7.374 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.873 2.921 -6.844 1.00 0.00 H new ATOM 0 HD3 LYS A 92 17.227 2.450 -8.494 1.00 0.00 H new ATOM 0 HE2 LYS A 92 18.336 0.351 -7.085 1.00 0.00 H new ATOM 0 HE3 LYS A 92 16.983 0.776 -6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 16.137 -0.768 -7.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.602 0.721 -8.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 16.924 -0.069 -8.894 1.00 0.00 H new ATOM 737 N TYR A 93 18.842 0.217 -4.230 1.00 0.00 N ATOM 738 CA TYR A 93 19.317 -1.168 -4.234 1.00 0.00 C ATOM 739 C TYR A 93 18.293 -2.062 -3.535 1.00 0.00 C ATOM 740 O TYR A 93 17.465 -1.574 -2.770 1.00 0.00 O ATOM 741 CB TYR A 93 20.693 -1.285 -3.558 1.00 0.00 C ATOM 742 CG TYR A 93 20.700 -0.906 -2.094 1.00 0.00 C ATOM 743 CD1 TYR A 93 20.248 -1.790 -1.123 1.00 0.00 C ATOM 744 CD2 TYR A 93 21.159 0.339 -1.684 1.00 0.00 C ATOM 745 CE1 TYR A 93 20.252 -1.444 0.214 1.00 0.00 C ATOM 746 CE2 TYR A 93 21.169 0.691 -0.348 1.00 0.00 C ATOM 747 CZ TYR A 93 20.712 -0.203 0.595 1.00 0.00 C ATOM 748 OH TYR A 93 20.712 0.147 1.924 1.00 0.00 O ATOM 0 H TYR A 93 17.960 0.347 -3.734 1.00 0.00 H new ATOM 0 HA TYR A 93 19.431 -1.495 -5.267 1.00 0.00 H new ATOM 0 HB2 TYR A 93 21.048 -2.311 -3.658 1.00 0.00 H new ATOM 0 HB3 TYR A 93 21.401 -0.649 -4.089 1.00 0.00 H new ATOM 0 HD1 TYR A 93 19.887 -2.764 -1.418 1.00 0.00 H new ATOM 0 HD2 TYR A 93 21.514 1.044 -2.422 1.00 0.00 H new ATOM 0 HE1 TYR A 93 19.896 -2.143 0.957 1.00 0.00 H new ATOM 0 HE2 TYR A 93 21.533 1.662 -0.045 1.00 0.00 H new ATOM 0 HH TYR A 93 21.069 1.054 2.023 1.00 0.00 H new ATOM 758 N ASN A 94 18.336 -3.364 -3.805 1.00 0.00 N ATOM 759 CA ASN A 94 17.389 -4.305 -3.192 1.00 0.00 C ATOM 760 C ASN A 94 15.941 -4.007 -3.609 1.00 0.00 C ATOM 761 O ASN A 94 14.996 -4.358 -2.899 1.00 0.00 O ATOM 762 CB ASN A 94 17.507 -4.247 -1.663 1.00 0.00 C ATOM 763 CG ASN A 94 17.940 -5.564 -1.055 1.00 0.00 C ATOM 764 OD1 ASN A 94 19.072 -5.999 -1.243 1.00 0.00 O ATOM 765 ND2 ASN A 94 17.038 -6.209 -0.330 1.00 0.00 N ATOM 0 H ASN A 94 19.010 -3.794 -4.439 1.00 0.00 H new ATOM 0 HA ASN A 94 17.642 -5.305 -3.544 1.00 0.00 H new ATOM 0 HB2 ASN A 94 18.223 -3.473 -1.388 1.00 0.00 H new ATOM 0 HB3 ASN A 94 16.545 -3.956 -1.240 1.00 0.00 H new ATOM 0 HD21 ASN A 94 17.273 -7.104 0.098 1.00 0.00 H new ATOM 0 HD22 ASN A 94 16.108 -5.810 -0.200 1.00 0.00 H new ATOM 772 N THR A 95 15.772 -3.377 -4.769 1.00 0.00 N ATOM 773 CA THR A 95 14.442 -3.039 -5.280 1.00 0.00 C ATOM 774 C THR A 95 13.803 -4.236 -5.984 1.00 0.00 C ATOM 775 O THR A 95 13.348 -4.138 -7.123 1.00 0.00 O ATOM 776 CB THR A 95 14.520 -1.829 -6.223 1.00 0.00 C ATOM 777 OG1 THR A 95 15.636 -1.931 -7.104 1.00 0.00 O ATOM 778 CG2 THR A 95 14.644 -0.519 -5.485 1.00 0.00 C ATOM 0 H THR A 95 16.540 -3.089 -5.375 1.00 0.00 H new ATOM 0 HA THR A 95 13.810 -2.775 -4.432 1.00 0.00 H new ATOM 0 HB THR A 95 13.584 -1.839 -6.781 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.549 -2.740 -7.650 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.695 0.300 -6.203 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.777 -0.382 -4.839 1.00 0.00 H new ATOM 0 HG23 THR A 95 15.550 -0.527 -4.879 1.00 0.00 H new ATOM 786 N THR A 96 13.781 -5.367 -5.284 1.00 0.00 N ATOM 787 CA THR A 96 13.205 -6.603 -5.816 1.00 0.00 C ATOM 788 C THR A 96 12.617 -7.465 -4.691 1.00 0.00 C ATOM 789 O THR A 96 12.947 -8.647 -4.552 1.00 0.00 O ATOM 790 CB THR A 96 14.265 -7.390 -6.601 1.00 0.00 C ATOM 791 OG1 THR A 96 13.765 -8.653 -7.000 1.00 0.00 O ATOM 792 CG2 THR A 96 15.541 -7.633 -5.821 1.00 0.00 C ATOM 0 H THR A 96 14.158 -5.455 -4.340 1.00 0.00 H new ATOM 0 HA THR A 96 12.394 -6.337 -6.494 1.00 0.00 H new ATOM 0 HB THR A 96 14.498 -6.764 -7.463 1.00 0.00 H new ATOM 0 HG1 THR A 96 13.489 -9.160 -6.208 1.00 0.00 H new ATOM 0 HG21 THR A 96 16.243 -8.194 -6.438 1.00 0.00 H new ATOM 0 HG22 THR A 96 15.985 -6.677 -5.543 1.00 0.00 H new ATOM 0 HG23 THR A 96 15.314 -8.203 -4.920 1.00 0.00 H new ATOM 800 N ARG A 97 11.742 -6.859 -3.890 1.00 0.00 N ATOM 801 CA ARG A 97 11.097 -7.556 -2.774 1.00 0.00 C ATOM 802 C ARG A 97 9.619 -7.159 -2.683 1.00 0.00 C ATOM 803 O ARG A 97 9.067 -6.607 -3.636 1.00 0.00 O ATOM 804 CB ARG A 97 11.835 -7.248 -1.463 1.00 0.00 C ATOM 805 CG ARG A 97 13.354 -7.272 -1.598 1.00 0.00 C ATOM 806 CD ARG A 97 14.023 -8.271 -0.658 1.00 0.00 C ATOM 807 NE ARG A 97 13.132 -9.365 -0.240 1.00 0.00 N ATOM 808 CZ ARG A 97 12.735 -10.366 -1.017 1.00 0.00 C ATOM 809 NH1 ARG A 97 13.048 -10.397 -2.299 1.00 0.00 N ATOM 810 NH2 ARG A 97 12.001 -11.332 -0.502 1.00 0.00 N ATOM 0 H ARG A 97 11.462 -5.884 -3.992 1.00 0.00 H new ATOM 0 HA ARG A 97 11.147 -8.631 -2.948 1.00 0.00 H new ATOM 0 HB2 ARG A 97 11.526 -6.266 -1.104 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.534 -7.973 -0.707 1.00 0.00 H new ATOM 0 HG2 ARG A 97 13.617 -7.518 -2.627 1.00 0.00 H new ATOM 0 HG3 ARG A 97 13.746 -6.275 -1.398 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.898 -8.693 -1.151 1.00 0.00 H new ATOM 0 HD3 ARG A 97 14.379 -7.744 0.227 1.00 0.00 H new ATOM 0 HE ARG A 97 12.793 -9.354 0.722 1.00 0.00 H new ATOM 0 HH11 ARG A 97 13.603 -9.645 -2.707 1.00 0.00 H new ATOM 0 HH12 ARG A 97 12.735 -11.173 -2.882 1.00 0.00 H new ATOM 0 HH21 ARG A 97 11.743 -11.306 0.485 1.00 0.00 H new ATOM 0 HH22 ARG A 97 11.691 -12.106 -1.090 1.00 0.00 H new ATOM 824 N ASN A 98 8.967 -7.445 -1.549 1.00 0.00 N ATOM 825 CA ASN A 98 7.548 -7.108 -1.391 1.00 0.00 C ATOM 826 C ASN A 98 7.186 -6.703 0.041 1.00 0.00 C ATOM 827 O ASN A 98 7.917 -6.986 0.993 1.00 0.00 O ATOM 828 CB ASN A 98 6.676 -8.288 -1.824 1.00 0.00 C ATOM 829 CG ASN A 98 6.571 -8.409 -3.329 1.00 0.00 C ATOM 830 OD1 ASN A 98 5.701 -7.806 -3.950 1.00 0.00 O ATOM 831 ND2 ASN A 98 7.459 -9.186 -3.927 1.00 0.00 N ATOM 0 H ASN A 98 9.391 -7.901 -0.741 1.00 0.00 H new ATOM 0 HA ASN A 98 7.359 -6.245 -2.029 1.00 0.00 H new ATOM 0 HB2 ASN A 98 7.090 -9.210 -1.417 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.678 -8.172 -1.401 1.00 0.00 H new ATOM 0 HD21 ASN A 98 7.436 -9.301 -4.940 1.00 0.00 H new ATOM 0 HD22 ASN A 98 8.167 -9.670 -3.375 1.00 0.00 H new ATOM 838 N ALA A 99 6.033 -6.043 0.169 1.00 0.00 N ATOM 839 CA ALA A 99 5.519 -5.585 1.461 1.00 0.00 C ATOM 840 C ALA A 99 4.031 -5.931 1.606 1.00 0.00 C ATOM 841 O ALA A 99 3.172 -5.263 1.026 1.00 0.00 O ATOM 842 CB ALA A 99 5.745 -4.084 1.606 1.00 0.00 C ATOM 0 H ALA A 99 5.430 -5.811 -0.620 1.00 0.00 H new ATOM 0 HA ALA A 99 6.059 -6.097 2.257 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.360 -3.750 2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.812 -3.869 1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.224 -3.559 0.805 1.00 0.00 H new ATOM 848 N TYR A 100 3.736 -6.988 2.371 1.00 0.00 N ATOM 849 CA TYR A 100 2.352 -7.439 2.582 1.00 0.00 C ATOM 850 C TYR A 100 1.497 -6.349 3.224 1.00 0.00 C ATOM 851 O TYR A 100 1.672 -6.010 4.399 1.00 0.00 O ATOM 852 CB TYR A 100 2.318 -8.701 3.452 1.00 0.00 C ATOM 853 CG TYR A 100 3.109 -9.861 2.885 1.00 0.00 C ATOM 854 CD1 TYR A 100 3.156 -10.092 1.516 1.00 0.00 C ATOM 855 CD2 TYR A 100 3.810 -10.720 3.719 1.00 0.00 C ATOM 856 CE1 TYR A 100 3.878 -11.147 0.996 1.00 0.00 C ATOM 857 CE2 TYR A 100 4.534 -11.780 3.204 1.00 0.00 C ATOM 858 CZ TYR A 100 4.565 -11.987 1.843 1.00 0.00 C ATOM 859 OH TYR A 100 5.286 -13.037 1.329 1.00 0.00 O ATOM 0 H TYR A 100 4.437 -7.549 2.856 1.00 0.00 H new ATOM 0 HA TYR A 100 1.935 -7.668 1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.706 -8.459 4.441 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.281 -9.011 3.584 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.619 -9.435 0.848 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.790 -10.559 4.787 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.904 -11.313 -0.071 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.072 -12.442 3.866 1.00 0.00 H new ATOM 0 HH TYR A 100 5.712 -13.531 2.061 1.00 0.00 H new ATOM 869 N ARG A 101 0.571 -5.801 2.445 1.00 0.00 N ATOM 870 CA ARG A 101 -0.308 -4.743 2.928 1.00 0.00 C ATOM 871 C ARG A 101 -1.775 -5.197 2.946 1.00 0.00 C ATOM 872 O ARG A 101 -2.378 -5.432 1.900 1.00 0.00 O ATOM 873 CB ARG A 101 -0.111 -3.503 2.058 1.00 0.00 C ATOM 874 CG ARG A 101 1.158 -2.734 2.407 1.00 0.00 C ATOM 875 CD ARG A 101 0.889 -1.647 3.434 1.00 0.00 C ATOM 876 NE ARG A 101 0.452 -2.225 4.699 1.00 0.00 N ATOM 877 CZ ARG A 101 -0.805 -2.535 4.989 1.00 0.00 C ATOM 878 NH1 ARG A 101 -1.795 -2.155 4.210 1.00 0.00 N ATOM 879 NH2 ARG A 101 -1.072 -3.199 6.085 1.00 0.00 N ATOM 0 H ARG A 101 0.410 -6.073 1.475 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.049 -4.500 3.959 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -0.073 -3.802 1.010 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -0.972 -2.845 2.171 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.907 -3.424 2.795 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.573 -2.287 1.504 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.792 -1.058 3.591 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.126 -0.966 3.058 1.00 0.00 H new ATOM 0 HE ARG A 101 1.161 -2.403 5.410 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.602 -1.613 3.368 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.755 -2.402 4.448 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -0.316 -3.475 6.711 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -2.037 -3.440 6.313 1.00 0.00 H new ATOM 893 N GLU A 102 -2.329 -5.335 4.154 1.00 0.00 N ATOM 894 CA GLU A 102 -3.709 -5.791 4.339 1.00 0.00 C ATOM 895 C GLU A 102 -4.721 -4.641 4.319 1.00 0.00 C ATOM 896 O GLU A 102 -4.480 -3.566 4.883 1.00 0.00 O ATOM 897 CB GLU A 102 -3.803 -6.562 5.659 1.00 0.00 C ATOM 898 CG GLU A 102 -5.224 -6.815 6.153 1.00 0.00 C ATOM 899 CD GLU A 102 -5.426 -6.360 7.584 1.00 0.00 C ATOM 900 OE1 GLU A 102 -4.735 -6.897 8.481 1.00 0.00 O ATOM 901 OE2 GLU A 102 -6.262 -5.463 7.806 1.00 0.00 O ATOM 0 H GLU A 102 -1.838 -5.135 5.025 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.964 -6.439 3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.299 -7.521 5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.260 -6.009 6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.929 -6.294 5.506 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.448 -7.879 6.078 1.00 0.00 H new ATOM 908 N CYS A 103 -5.860 -4.902 3.667 1.00 0.00 N ATOM 909 CA CYS A 103 -6.959 -3.937 3.551 1.00 0.00 C ATOM 910 C CYS A 103 -8.140 -4.372 4.424 1.00 0.00 C ATOM 911 O CYS A 103 -8.914 -5.248 4.035 1.00 0.00 O ATOM 912 CB CYS A 103 -7.410 -3.817 2.083 1.00 0.00 C ATOM 913 SG CYS A 103 -8.616 -2.485 1.762 1.00 0.00 S ATOM 0 H CYS A 103 -6.046 -5.791 3.204 1.00 0.00 H new ATOM 0 HA CYS A 103 -6.605 -2.965 3.893 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -6.531 -3.651 1.460 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -7.846 -4.766 1.772 1.00 0.00 H new ATOM 918 N LEU A 104 -8.262 -3.755 5.600 1.00 0.00 N ATOM 919 CA LEU A 104 -9.338 -4.064 6.551 1.00 0.00 C ATOM 920 C LEU A 104 -10.694 -4.241 5.866 1.00 0.00 C ATOM 921 O LEU A 104 -11.084 -3.456 4.997 1.00 0.00 O ATOM 922 CB LEU A 104 -9.433 -2.964 7.616 1.00 0.00 C ATOM 923 CG LEU A 104 -8.889 -3.351 8.995 1.00 0.00 C ATOM 924 CD1 LEU A 104 -7.626 -2.568 9.310 1.00 0.00 C ATOM 925 CD2 LEU A 104 -9.941 -3.118 10.067 1.00 0.00 C ATOM 0 H LEU A 104 -7.622 -3.029 5.922 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.085 -5.015 7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.891 -2.087 7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -10.478 -2.671 7.723 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.640 -4.412 8.980 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.255 -2.857 10.293 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.867 -2.784 8.558 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.849 -1.501 9.305 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.537 -3.398 11.040 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.220 -2.064 10.080 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.821 -3.724 9.851 1.00 0.00 H new ATOM 937 N GLU A 105 -11.412 -5.276 6.295 1.00 0.00 N ATOM 938 CA GLU A 105 -12.745 -5.590 5.771 1.00 0.00 C ATOM 939 C GLU A 105 -13.654 -4.362 5.773 1.00 0.00 C ATOM 940 O GLU A 105 -14.588 -4.272 4.977 1.00 0.00 O ATOM 941 CB GLU A 105 -13.384 -6.718 6.588 1.00 0.00 C ATOM 942 CG GLU A 105 -13.253 -6.538 8.099 1.00 0.00 C ATOM 943 CD GLU A 105 -11.998 -7.180 8.662 1.00 0.00 C ATOM 944 OE1 GLU A 105 -10.902 -6.600 8.487 1.00 0.00 O ATOM 945 OE2 GLU A 105 -12.109 -8.261 9.271 1.00 0.00 O ATOM 0 H GLU A 105 -11.089 -5.922 7.015 1.00 0.00 H new ATOM 0 HA GLU A 105 -12.626 -5.916 4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.441 -6.786 6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -12.925 -7.665 6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -13.248 -5.474 8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -14.127 -6.968 8.589 1.00 0.00 H new ATOM 952 N ASN A 106 -13.371 -3.409 6.657 1.00 0.00 N ATOM 953 CA ASN A 106 -14.165 -2.185 6.735 1.00 0.00 C ATOM 954 C ASN A 106 -13.870 -1.241 5.556 1.00 0.00 C ATOM 955 O ASN A 106 -14.538 -0.218 5.397 1.00 0.00 O ATOM 956 CB ASN A 106 -13.904 -1.467 8.064 1.00 0.00 C ATOM 957 CG ASN A 106 -15.177 -1.210 8.843 1.00 0.00 C ATOM 958 OD1 ASN A 106 -15.232 -1.418 10.051 1.00 0.00 O ATOM 959 ND2 ASN A 106 -16.214 -0.756 8.155 1.00 0.00 N ATOM 0 H ASN A 106 -12.603 -3.459 7.326 1.00 0.00 H new ATOM 0 HA ASN A 106 -15.216 -2.468 6.680 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -13.225 -2.067 8.670 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -13.403 -0.519 7.869 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -17.097 -0.567 8.629 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -16.129 -0.595 7.151 1.00 0.00 H new ATOM 966 N GLY A 107 -12.864 -1.584 4.739 1.00 0.00 N ATOM 967 CA GLY A 107 -12.501 -0.749 3.602 1.00 0.00 C ATOM 968 C GLY A 107 -11.179 -0.024 3.814 1.00 0.00 C ATOM 969 O GLY A 107 -10.588 0.488 2.859 1.00 0.00 O ATOM 0 H GLY A 107 -12.297 -2.425 4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -12.434 -1.368 2.707 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.289 -0.017 3.425 1.00 0.00 H new ATOM 973 N THR A 108 -10.714 0.009 5.066 1.00 0.00 N ATOM 974 CA THR A 108 -9.450 0.658 5.421 1.00 0.00 C ATOM 975 C THR A 108 -8.285 -0.315 5.257 1.00 0.00 C ATOM 976 O THR A 108 -8.439 -1.390 4.684 1.00 0.00 O ATOM 977 CB THR A 108 -9.508 1.173 6.866 1.00 0.00 C ATOM 978 OG1 THR A 108 -9.570 0.092 7.782 1.00 0.00 O ATOM 979 CG2 THR A 108 -10.696 2.069 7.141 1.00 0.00 C ATOM 0 H THR A 108 -11.201 -0.411 5.858 1.00 0.00 H new ATOM 0 HA THR A 108 -9.294 1.503 4.750 1.00 0.00 H new ATOM 0 HB THR A 108 -8.596 1.756 6.997 1.00 0.00 H new ATOM 0 HG1 THR A 108 -9.605 0.440 8.697 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.673 2.395 8.181 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.654 2.940 6.486 1.00 0.00 H new ATOM 0 HG23 THR A 108 -11.618 1.518 6.954 1.00 0.00 H new ATOM 987 N TRP A 109 -7.120 0.072 5.756 1.00 0.00 N ATOM 988 CA TRP A 109 -5.931 -0.775 5.663 1.00 0.00 C ATOM 989 C TRP A 109 -5.247 -0.913 7.025 1.00 0.00 C ATOM 990 O TRP A 109 -5.356 -0.028 7.877 1.00 0.00 O ATOM 991 CB TRP A 109 -4.949 -0.203 4.635 1.00 0.00 C ATOM 992 CG TRP A 109 -5.485 -0.191 3.236 1.00 0.00 C ATOM 993 CD1 TRP A 109 -6.338 0.727 2.697 1.00 0.00 C ATOM 994 CD2 TRP A 109 -5.203 -1.137 2.196 1.00 0.00 C ATOM 995 NE1 TRP A 109 -6.606 0.412 1.386 1.00 0.00 N ATOM 996 CE2 TRP A 109 -5.923 -0.730 1.057 1.00 0.00 C ATOM 997 CE3 TRP A 109 -4.414 -2.287 2.117 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -5.877 -1.434 -0.141 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -4.367 -2.983 0.925 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -5.096 -2.554 -0.190 1.00 0.00 C ATOM 0 H TRP A 109 -6.969 0.963 6.229 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.247 -1.766 5.338 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -4.686 0.815 4.923 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.030 -0.788 4.658 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -6.744 1.578 3.224 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.214 0.941 0.761 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -3.850 -2.626 2.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -6.439 -1.107 -1.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -3.758 -3.872 0.852 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -5.040 -3.120 -1.108 1.00 0.00 H new ATOM 1011 N ALA A 110 -4.535 -2.023 7.222 1.00 0.00 N ATOM 1012 CA ALA A 110 -3.826 -2.259 8.479 1.00 0.00 C ATOM 1013 C ALA A 110 -2.364 -1.829 8.342 1.00 0.00 C ATOM 1014 O ALA A 110 -1.995 -1.217 7.348 1.00 0.00 O ATOM 1015 CB ALA A 110 -3.932 -3.729 8.869 1.00 0.00 C ATOM 0 H ALA A 110 -4.434 -2.768 6.532 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.283 -1.664 9.270 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.401 -3.896 9.806 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.981 -3.998 8.993 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -3.490 -4.346 8.087 1.00 0.00 H new ATOM 1021 N SER A 111 -1.528 -2.158 9.323 1.00 0.00 N ATOM 1022 CA SER A 111 -0.114 -1.801 9.252 1.00 0.00 C ATOM 1023 C SER A 111 0.703 -3.020 8.813 1.00 0.00 C ATOM 1024 O SER A 111 0.835 -3.285 7.614 1.00 0.00 O ATOM 1025 CB SER A 111 0.372 -1.262 10.605 1.00 0.00 C ATOM 1026 OG SER A 111 0.304 -2.264 11.612 1.00 0.00 O ATOM 0 H SER A 111 -1.800 -2.664 10.166 1.00 0.00 H new ATOM 0 HA SER A 111 0.022 -1.010 8.514 1.00 0.00 H new ATOM 0 HB2 SER A 111 1.398 -0.907 10.511 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.236 -0.406 10.898 1.00 0.00 H new ATOM 0 HG SER A 111 1.156 -2.301 12.095 1.00 0.00 H new ATOM 1032 N ARG A 112 1.206 -3.775 9.786 1.00 0.00 N ATOM 1033 CA ARG A 112 1.986 -4.991 9.527 1.00 0.00 C ATOM 1034 C ARG A 112 3.148 -4.758 8.547 1.00 0.00 C ATOM 1035 O ARG A 112 4.272 -4.519 8.977 1.00 0.00 O ATOM 1036 CB ARG A 112 1.064 -6.112 9.020 1.00 0.00 C ATOM 1037 CG ARG A 112 0.996 -7.315 9.949 1.00 0.00 C ATOM 1038 CD ARG A 112 0.401 -8.532 9.254 1.00 0.00 C ATOM 1039 NE ARG A 112 -0.954 -8.832 9.734 1.00 0.00 N ATOM 1040 CZ ARG A 112 -2.055 -8.225 9.302 1.00 0.00 C ATOM 1041 NH1 ARG A 112 -1.995 -7.300 8.369 1.00 0.00 N ATOM 1042 NH2 ARG A 112 -3.229 -8.546 9.801 1.00 0.00 N ATOM 0 H ARG A 112 1.087 -3.565 10.777 1.00 0.00 H new ATOM 0 HA ARG A 112 2.436 -5.291 10.473 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.059 -5.711 8.885 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.411 -6.440 8.040 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.997 -7.554 10.308 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.395 -7.066 10.824 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.374 -8.358 8.178 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.044 -9.396 9.421 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.057 -9.554 10.447 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.095 -7.039 7.966 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.849 -6.843 8.048 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -3.297 -9.264 10.523 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -4.071 -8.077 9.466 1.00 0.00 H new ATOM 1056 N VAL A 113 2.859 -4.853 7.241 1.00 0.00 N ATOM 1057 CA VAL A 113 3.855 -4.686 6.164 1.00 0.00 C ATOM 1058 C VAL A 113 5.179 -5.396 6.480 1.00 0.00 C ATOM 1059 O VAL A 113 6.035 -4.893 7.217 1.00 0.00 O ATOM 1060 CB VAL A 113 4.098 -3.203 5.781 1.00 0.00 C ATOM 1061 CG1 VAL A 113 4.008 -2.281 6.981 1.00 0.00 C ATOM 1062 CG2 VAL A 113 5.434 -3.023 5.073 1.00 0.00 C ATOM 0 H VAL A 113 1.920 -5.050 6.896 1.00 0.00 H new ATOM 0 HA VAL A 113 3.418 -5.169 5.290 1.00 0.00 H new ATOM 0 HB VAL A 113 3.302 -2.926 5.090 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.185 -1.253 6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 113 3.016 -2.358 7.425 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.759 -2.568 7.717 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.572 -1.972 4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 113 6.241 -3.346 5.731 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.447 -3.621 4.162 1.00 0.00 H new ATOM 1072 N ASN A 114 5.335 -6.583 5.894 1.00 0.00 N ATOM 1073 CA ASN A 114 6.538 -7.396 6.083 1.00 0.00 C ATOM 1074 C ASN A 114 7.750 -6.749 5.415 1.00 0.00 C ATOM 1075 O ASN A 114 8.248 -7.229 4.398 1.00 0.00 O ATOM 1076 CB ASN A 114 6.328 -8.814 5.531 1.00 0.00 C ATOM 1077 CG ASN A 114 7.477 -9.756 5.868 1.00 0.00 C ATOM 1078 OD1 ASN A 114 8.581 -9.324 6.205 1.00 0.00 O ATOM 1079 ND2 ASN A 114 7.223 -11.053 5.780 1.00 0.00 N ATOM 0 H ASN A 114 4.639 -7.006 5.280 1.00 0.00 H new ATOM 0 HA ASN A 114 6.729 -7.460 7.154 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.400 -9.222 5.933 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.211 -8.764 4.448 1.00 0.00 H new ATOM 0 HD21 ASN A 114 7.954 -11.731 5.995 1.00 0.00 H new ATOM 0 HD22 ASN A 114 6.297 -11.373 5.498 1.00 0.00 H new ATOM 1086 N TYR A 115 8.215 -5.653 5.999 1.00 0.00 N ATOM 1087 CA TYR A 115 9.375 -4.937 5.470 1.00 0.00 C ATOM 1088 C TYR A 115 10.665 -5.718 5.732 1.00 0.00 C ATOM 1089 O TYR A 115 11.578 -5.708 4.903 1.00 0.00 O ATOM 1090 CB TYR A 115 9.464 -3.534 6.083 1.00 0.00 C ATOM 1091 CG TYR A 115 9.019 -2.434 5.143 1.00 0.00 C ATOM 1092 CD1 TYR A 115 9.297 -2.498 3.783 1.00 0.00 C ATOM 1093 CD2 TYR A 115 8.321 -1.331 5.617 1.00 0.00 C ATOM 1094 CE1 TYR A 115 8.891 -1.497 2.926 1.00 0.00 C ATOM 1095 CE2 TYR A 115 7.912 -0.326 4.762 1.00 0.00 C ATOM 1096 CZ TYR A 115 8.200 -0.415 3.419 1.00 0.00 C ATOM 1097 OH TYR A 115 7.797 0.582 2.566 1.00 0.00 O ATOM 0 H TYR A 115 7.810 -5.238 6.838 1.00 0.00 H new ATOM 0 HA TYR A 115 9.251 -4.839 4.392 1.00 0.00 H new ATOM 0 HB2 TYR A 115 8.852 -3.501 6.984 1.00 0.00 H new ATOM 0 HB3 TYR A 115 10.493 -3.345 6.389 1.00 0.00 H new ATOM 0 HD1 TYR A 115 9.840 -3.345 3.391 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.094 -1.258 6.670 1.00 0.00 H new ATOM 0 HE1 TYR A 115 9.115 -1.562 1.871 1.00 0.00 H new ATOM 0 HE2 TYR A 115 7.369 0.525 5.145 1.00 0.00 H new ATOM 0 HH TYR A 115 6.850 0.460 2.345 1.00 0.00 H new ATOM 1107 N SER A 116 10.727 -6.402 6.877 1.00 0.00 N ATOM 1108 CA SER A 116 11.900 -7.204 7.248 1.00 0.00 C ATOM 1109 C SER A 116 12.368 -8.090 6.087 1.00 0.00 C ATOM 1110 O SER A 116 13.560 -8.152 5.788 1.00 0.00 O ATOM 1111 CB SER A 116 11.579 -8.066 8.479 1.00 0.00 C ATOM 1112 OG SER A 116 12.086 -9.385 8.342 1.00 0.00 O ATOM 0 H SER A 116 9.976 -6.418 7.567 1.00 0.00 H new ATOM 0 HA SER A 116 12.712 -6.519 7.489 1.00 0.00 H new ATOM 0 HB2 SER A 116 12.005 -7.603 9.369 1.00 0.00 H new ATOM 0 HB3 SER A 116 10.500 -8.104 8.625 1.00 0.00 H new ATOM 0 HG SER A 116 11.490 -9.906 7.764 1.00 0.00 H new ATOM 1118 N HIS A 117 11.422 -8.771 5.436 1.00 0.00 N ATOM 1119 CA HIS A 117 11.743 -9.651 4.310 1.00 0.00 C ATOM 1120 C HIS A 117 11.860 -8.880 2.984 1.00 0.00 C ATOM 1121 O HIS A 117 12.096 -9.485 1.934 1.00 0.00 O ATOM 1122 CB HIS A 117 10.684 -10.752 4.185 1.00 0.00 C ATOM 1123 CG HIS A 117 10.788 -11.806 5.242 1.00 0.00 C ATOM 1124 ND1 HIS A 117 10.854 -11.706 6.589 1.00 0.00 N flip ATOM 1125 CD2 HIS A 117 10.834 -13.153 4.957 1.00 0.00 C flip ATOM 1126 CE1 HIS A 117 10.935 -12.983 7.091 1.00 0.00 C flip ATOM 1127 NE2 HIS A 117 10.920 -13.838 6.085 1.00 0.00 N flip ATOM 0 H HIS A 117 10.430 -8.730 5.669 1.00 0.00 H new ATOM 0 HA HIS A 117 12.716 -10.099 4.514 1.00 0.00 H new ATOM 0 HB2 HIS A 117 9.694 -10.299 4.232 1.00 0.00 H new ATOM 0 HB3 HIS A 117 10.774 -11.222 3.205 1.00 0.00 H new ATOM 0 HD2 HIS A 117 10.804 -13.583 3.967 1.00 0.00 H new ATOM 0 HE1 HIS A 117 11.000 -13.244 8.137 1.00 0.00 H new ATOM 0 HE2 HIS A 117 10.967 -14.854 6.164 1.00 0.00 H new ATOM 1136 N CYS A 118 11.700 -7.554 3.029 1.00 0.00 N ATOM 1137 CA CYS A 118 11.795 -6.715 1.828 1.00 0.00 C ATOM 1138 C CYS A 118 13.038 -5.824 1.866 1.00 0.00 C ATOM 1139 O CYS A 118 13.626 -5.537 0.823 1.00 0.00 O ATOM 1140 CB CYS A 118 10.529 -5.858 1.668 1.00 0.00 C ATOM 1141 SG CYS A 118 10.828 -4.125 1.169 1.00 0.00 S ATOM 0 H CYS A 118 11.504 -7.036 3.886 1.00 0.00 H new ATOM 0 HA CYS A 118 11.883 -7.378 0.967 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.882 -6.327 0.927 1.00 0.00 H new ATOM 0 HB3 CYS A 118 9.985 -5.860 2.613 1.00 0.00 H new ATOM 1146 N GLU A 119 13.432 -5.393 3.072 1.00 0.00 N ATOM 1147 CA GLU A 119 14.600 -4.540 3.252 1.00 0.00 C ATOM 1148 C GLU A 119 14.332 -3.127 2.717 1.00 0.00 C ATOM 1149 O GLU A 119 13.382 -2.915 1.958 1.00 0.00 O ATOM 1150 CB GLU A 119 15.815 -5.169 2.569 1.00 0.00 C ATOM 1151 CG GLU A 119 15.922 -6.680 2.770 1.00 0.00 C ATOM 1152 CD GLU A 119 17.334 -7.138 3.069 1.00 0.00 C ATOM 1153 OE1 GLU A 119 18.081 -7.419 2.108 1.00 0.00 O ATOM 1154 OE2 GLU A 119 17.691 -7.223 4.262 1.00 0.00 O ATOM 0 H GLU A 119 12.950 -5.627 3.940 1.00 0.00 H new ATOM 0 HA GLU A 119 14.811 -4.452 4.318 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.770 -4.956 1.501 1.00 0.00 H new ATOM 0 HB3 GLU A 119 16.720 -4.696 2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 119 15.268 -6.979 3.589 1.00 0.00 H new ATOM 0 HG3 GLU A 119 15.564 -7.187 1.874 1.00 0.00 H new