USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 542 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 Single : A 31 THR OG1 : rot 180:sc= -0.0416 USER MOD Single : A 37 THR OG1 : rot -30:sc= 0.203 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.047) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -3.33 K(o=-3.3,f=-7.2!) USER MOD Single : A 68 SER OG : rot -68:sc= 1.04 USER MOD Single : A 72 LYS NZ :NH3+ -123:sc= 0.0648 (180deg=-0.457) USER MOD Single : A 73 GLN : amide:sc= 0.00121 K(o=0.0012,f=-2.2!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 39:sc= -0.419 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N GLU A 19 5.649 -9.175 -4.179 1.00 0.00 N ATOM 211 CA GLU A 19 6.735 -8.937 -3.236 1.00 0.00 C ATOM 212 C GLU A 19 6.245 -8.140 -2.032 1.00 0.00 C ATOM 213 O GLU A 19 5.788 -7.005 -2.170 1.00 0.00 O ATOM 214 CB GLU A 19 7.880 -8.191 -3.924 1.00 0.00 C ATOM 215 CG GLU A 19 7.490 -6.813 -4.432 1.00 0.00 C ATOM 216 CD GLU A 19 8.530 -6.219 -5.363 1.00 0.00 C ATOM 217 OE1 GLU A 19 8.663 -6.718 -6.500 1.00 0.00 O ATOM 218 OE2 GLU A 19 9.211 -5.255 -4.955 1.00 0.00 O ATOM 0 HA GLU A 19 7.098 -9.903 -2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.709 -8.090 -3.224 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.241 -8.789 -4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.536 -6.879 -4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.343 -6.145 -3.583 1.00 0.00 H new ATOM 225 N VAL A 20 6.342 -8.743 -0.850 1.00 0.00 N ATOM 226 CA VAL A 20 5.909 -8.090 0.379 1.00 0.00 C ATOM 227 C VAL A 20 7.092 -7.825 1.306 1.00 0.00 C ATOM 228 O VAL A 20 7.417 -8.648 2.162 1.00 0.00 O ATOM 229 CB VAL A 20 4.864 -8.939 1.128 1.00 0.00 C ATOM 230 CG1 VAL A 20 4.310 -8.176 2.322 1.00 0.00 C ATOM 231 CG2 VAL A 20 3.743 -9.361 0.190 1.00 0.00 C ATOM 0 H VAL A 20 6.717 -9.683 -0.719 1.00 0.00 H new ATOM 0 HA VAL A 20 5.456 -7.141 0.091 1.00 0.00 H new ATOM 0 HB VAL A 20 5.355 -9.839 1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.574 -8.792 2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.122 -7.932 3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.836 -7.256 1.978 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.016 -9.960 0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.253 -8.475 -0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.156 -9.951 -0.628 1.00 0.00 H new ATOM 241 N PRO A 21 7.754 -6.665 1.149 1.00 0.00 N ATOM 242 CA PRO A 21 8.906 -6.296 1.978 1.00 0.00 C ATOM 243 C PRO A 21 8.598 -6.386 3.468 1.00 0.00 C ATOM 244 O PRO A 21 7.522 -6.835 3.864 1.00 0.00 O ATOM 245 CB PRO A 21 9.184 -4.845 1.576 1.00 0.00 C ATOM 246 CG PRO A 21 8.630 -4.719 0.200 1.00 0.00 C ATOM 247 CD PRO A 21 7.433 -5.627 0.153 1.00 0.00 C ATOM 0 HA PRO A 21 9.752 -6.965 1.821 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.704 -4.146 2.261 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.252 -4.627 1.594 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.347 -3.688 -0.014 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.369 -5.008 -0.547 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.515 -5.096 0.407 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.290 -6.053 -0.840 1.00 0.00 H new ATOM 255 N GLU A 22 9.548 -5.956 4.292 1.00 0.00 N ATOM 256 CA GLU A 22 9.377 -5.988 5.740 1.00 0.00 C ATOM 257 C GLU A 22 8.900 -4.636 6.262 1.00 0.00 C ATOM 258 O GLU A 22 8.117 -4.567 7.208 1.00 0.00 O ATOM 259 CB GLU A 22 10.690 -6.377 6.420 1.00 0.00 C ATOM 260 CG GLU A 22 11.264 -7.696 5.927 1.00 0.00 C ATOM 261 CD GLU A 22 12.775 -7.666 5.805 1.00 0.00 C ATOM 262 OE1 GLU A 22 13.328 -6.574 5.560 1.00 0.00 O ATOM 263 OE2 GLU A 22 13.403 -8.734 5.954 1.00 0.00 O ATOM 0 H GLU A 22 10.444 -5.581 3.982 1.00 0.00 H new ATOM 0 HA GLU A 22 8.619 -6.735 5.975 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.423 -5.587 6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.527 -6.441 7.496 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.974 -8.493 6.612 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.830 -7.937 4.957 1.00 0.00 H new ATOM 270 N TRP A 23 9.378 -3.565 5.637 1.00 0.00 N ATOM 271 CA TRP A 23 9.000 -2.215 6.039 1.00 0.00 C ATOM 272 C TRP A 23 7.521 -1.955 5.765 1.00 0.00 C ATOM 273 O TRP A 23 6.895 -1.125 6.423 1.00 0.00 O ATOM 274 CB TRP A 23 9.855 -1.183 5.299 1.00 0.00 C ATOM 275 CG TRP A 23 9.859 -1.371 3.813 1.00 0.00 C ATOM 276 CD1 TRP A 23 10.864 -1.904 3.057 1.00 0.00 C ATOM 277 CD2 TRP A 23 8.811 -1.025 2.901 1.00 0.00 C ATOM 278 NE1 TRP A 23 10.504 -1.911 1.732 1.00 0.00 N ATOM 279 CE2 TRP A 23 9.248 -1.378 1.610 1.00 0.00 C ATOM 280 CE3 TRP A 23 7.544 -0.453 3.050 1.00 0.00 C ATOM 281 CZ2 TRP A 23 8.464 -1.175 0.477 1.00 0.00 C ATOM 282 CZ3 TRP A 23 6.767 -0.253 1.925 1.00 0.00 C ATOM 283 CH2 TRP A 23 7.229 -0.614 0.653 1.00 0.00 C ATOM 0 H TRP A 23 10.027 -3.605 4.851 1.00 0.00 H new ATOM 0 HA TRP A 23 9.173 -2.122 7.111 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.487 -0.184 5.531 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.879 -1.239 5.668 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.804 -2.267 3.445 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.078 -2.257 0.963 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.179 -0.172 4.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 8.818 -1.451 -0.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 5.787 0.189 2.028 1.00 0.00 H new ATOM 0 HH2 TRP A 23 6.597 -0.446 -0.207 1.00 0.00 H new ATOM 294 N LEU A 24 6.967 -2.671 4.790 1.00 0.00 N ATOM 295 CA LEU A 24 5.563 -2.517 4.432 1.00 0.00 C ATOM 296 C LEU A 24 4.657 -2.903 5.598 1.00 0.00 C ATOM 297 O LEU A 24 4.510 -4.081 5.918 1.00 0.00 O ATOM 298 CB LEU A 24 5.231 -3.373 3.208 1.00 0.00 C ATOM 299 CG LEU A 24 3.816 -3.194 2.656 1.00 0.00 C ATOM 300 CD1 LEU A 24 3.644 -1.801 2.070 1.00 0.00 C ATOM 301 CD2 LEU A 24 3.515 -4.257 1.609 1.00 0.00 C ATOM 0 H LEU A 24 7.470 -3.363 4.235 1.00 0.00 H new ATOM 0 HA LEU A 24 5.388 -1.468 4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.945 -3.141 2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.373 -4.422 3.468 1.00 0.00 H new ATOM 0 HG LEU A 24 3.108 -3.310 3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.631 -1.692 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.817 -1.056 2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.360 -1.656 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.504 -4.115 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.228 -4.173 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.597 -5.246 2.060 1.00 0.00 H new ATOM 313 N ARG A 25 4.051 -1.901 6.226 1.00 0.00 N ATOM 314 CA ARG A 25 3.158 -2.134 7.355 1.00 0.00 C ATOM 315 C ARG A 25 2.313 -0.899 7.647 1.00 0.00 C ATOM 316 O ARG A 25 2.585 0.187 7.135 1.00 0.00 O ATOM 317 CB ARG A 25 3.964 -2.520 8.598 1.00 0.00 C ATOM 318 CG ARG A 25 5.042 -1.512 8.962 1.00 0.00 C ATOM 319 CD ARG A 25 5.445 -1.627 10.424 1.00 0.00 C ATOM 320 NE ARG A 25 5.486 -0.325 11.085 1.00 0.00 N ATOM 321 CZ ARG A 25 6.137 -0.091 12.222 1.00 0.00 C ATOM 322 NH1 ARG A 25 6.804 -1.067 12.826 1.00 0.00 N ATOM 323 NH2 ARG A 25 6.122 1.123 12.756 1.00 0.00 N ATOM 0 H ARG A 25 4.162 -0.919 5.972 1.00 0.00 H new ATOM 0 HA ARG A 25 2.490 -2.954 7.093 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.283 -2.632 9.442 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.428 -3.492 8.432 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.916 -1.669 8.330 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.680 -0.503 8.762 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.740 -2.276 10.944 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.425 -2.100 10.494 1.00 0.00 H new ATOM 0 HE ARG A 25 4.986 0.450 10.650 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.819 -2.002 12.419 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.301 -0.882 13.697 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.612 1.877 12.295 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.621 1.303 13.627 1.00 0.00 H new ATOM 337 N GLU A 26 1.287 -1.072 8.473 1.00 0.00 N ATOM 338 CA GLU A 26 0.400 0.028 8.833 1.00 0.00 C ATOM 339 C GLU A 26 1.179 1.161 9.496 1.00 0.00 C ATOM 340 O GLU A 26 2.016 0.924 10.368 1.00 0.00 O ATOM 341 CB GLU A 26 -0.705 -0.464 9.769 1.00 0.00 C ATOM 342 CG GLU A 26 -1.474 -1.658 9.228 1.00 0.00 C ATOM 343 CD GLU A 26 -1.124 -2.949 9.943 1.00 0.00 C ATOM 344 OE1 GLU A 26 0.065 -3.142 10.273 1.00 0.00 O ATOM 345 OE2 GLU A 26 -2.040 -3.766 10.175 1.00 0.00 O ATOM 0 H GLU A 26 1.049 -1.964 8.906 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.053 0.410 7.918 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.264 -0.731 10.729 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.402 0.353 9.955 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.543 -1.471 9.326 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.265 -1.768 8.164 1.00 0.00 H new ATOM 352 N GLY A 27 0.897 2.390 9.078 1.00 0.00 N ATOM 353 CA GLY A 27 1.580 3.540 9.643 1.00 0.00 C ATOM 354 C GLY A 27 2.906 3.819 8.964 1.00 0.00 C ATOM 355 O GLY A 27 3.811 4.393 9.570 1.00 0.00 O ATOM 0 H GLY A 27 0.208 2.611 8.359 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.939 4.418 9.556 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.748 3.372 10.707 1.00 0.00 H new ATOM 359 N GLU A 28 3.023 3.412 7.704 1.00 0.00 N ATOM 360 CA GLU A 28 4.248 3.621 6.942 1.00 0.00 C ATOM 361 C GLU A 28 3.964 4.385 5.653 1.00 0.00 C ATOM 362 O GLU A 28 3.107 3.991 4.863 1.00 0.00 O ATOM 363 CB GLU A 28 4.908 2.279 6.621 1.00 0.00 C ATOM 364 CG GLU A 28 6.422 2.296 6.760 1.00 0.00 C ATOM 365 CD GLU A 28 6.875 2.706 8.148 1.00 0.00 C ATOM 366 OE1 GLU A 28 6.822 1.858 9.064 1.00 0.00 O ATOM 367 OE2 GLU A 28 7.282 3.874 8.319 1.00 0.00 O ATOM 0 H GLU A 28 2.283 2.935 7.189 1.00 0.00 H new ATOM 0 HA GLU A 28 4.929 4.216 7.551 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.499 1.515 7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.648 1.990 5.602 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.815 1.306 6.531 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.843 2.984 6.026 1.00 0.00 H new ATOM 374 N PHE A 29 4.690 5.479 5.447 1.00 0.00 N ATOM 375 CA PHE A 29 4.516 6.299 4.253 1.00 0.00 C ATOM 376 C PHE A 29 4.988 5.554 3.009 1.00 0.00 C ATOM 377 O PHE A 29 6.123 5.079 2.950 1.00 0.00 O ATOM 378 CB PHE A 29 5.281 7.616 4.397 1.00 0.00 C ATOM 379 CG PHE A 29 4.430 8.755 4.881 1.00 0.00 C ATOM 380 CD1 PHE A 29 3.890 8.739 6.157 1.00 0.00 C ATOM 381 CD2 PHE A 29 4.172 9.841 4.061 1.00 0.00 C ATOM 382 CE1 PHE A 29 3.106 9.785 6.605 1.00 0.00 C ATOM 383 CE2 PHE A 29 3.389 10.890 4.504 1.00 0.00 C ATOM 384 CZ PHE A 29 2.855 10.863 5.778 1.00 0.00 C ATOM 0 H PHE A 29 5.404 5.818 6.091 1.00 0.00 H new ATOM 0 HA PHE A 29 3.454 6.516 4.142 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.109 7.472 5.091 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.715 7.882 3.433 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.084 7.900 6.809 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.587 9.868 3.064 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.690 9.760 7.601 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.195 11.731 3.855 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.243 11.682 6.126 1.00 0.00 H new ATOM 394 N VAL A 30 4.110 5.455 2.015 1.00 0.00 N ATOM 395 CA VAL A 30 4.438 4.769 0.772 1.00 0.00 C ATOM 396 C VAL A 30 3.783 5.453 -0.423 1.00 0.00 C ATOM 397 O VAL A 30 3.055 6.433 -0.267 1.00 0.00 O ATOM 398 CB VAL A 30 3.993 3.294 0.810 1.00 0.00 C ATOM 399 CG1 VAL A 30 4.864 2.498 1.769 1.00 0.00 C ATOM 400 CG2 VAL A 30 2.525 3.189 1.198 1.00 0.00 C ATOM 0 H VAL A 30 3.167 5.841 2.047 1.00 0.00 H new ATOM 0 HA VAL A 30 5.522 4.812 0.664 1.00 0.00 H new ATOM 0 HB VAL A 30 4.112 2.872 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.535 1.459 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.903 2.545 1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.780 2.918 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.228 2.140 1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.377 3.628 2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.917 3.723 0.468 1.00 0.00 H new ATOM 410 N THR A 31 4.047 4.931 -1.616 1.00 0.00 N ATOM 411 CA THR A 31 3.484 5.492 -2.838 1.00 0.00 C ATOM 412 C THR A 31 2.568 4.484 -3.526 1.00 0.00 C ATOM 413 O THR A 31 2.666 3.280 -3.293 1.00 0.00 O ATOM 414 CB THR A 31 4.602 5.915 -3.792 1.00 0.00 C ATOM 415 OG1 THR A 31 4.065 6.462 -4.983 1.00 0.00 O ATOM 416 CG2 THR A 31 5.518 4.775 -4.184 1.00 0.00 C ATOM 0 H THR A 31 4.648 4.120 -1.762 1.00 0.00 H new ATOM 0 HA THR A 31 2.895 6.368 -2.569 1.00 0.00 H new ATOM 0 HB THR A 31 5.184 6.656 -3.244 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.796 6.728 -5.579 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.288 5.144 -4.861 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.987 4.362 -3.291 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.939 3.998 -4.682 1.00 0.00 H new ATOM 424 N VAL A 32 1.677 4.987 -4.375 1.00 0.00 N ATOM 425 CA VAL A 32 0.743 4.131 -5.097 1.00 0.00 C ATOM 426 C VAL A 32 1.145 3.993 -6.562 1.00 0.00 C ATOM 427 O VAL A 32 0.293 3.897 -7.444 1.00 0.00 O ATOM 428 CB VAL A 32 -0.696 4.677 -5.018 1.00 0.00 C ATOM 429 CG1 VAL A 32 -1.684 3.661 -5.570 1.00 0.00 C ATOM 430 CG2 VAL A 32 -1.048 5.051 -3.586 1.00 0.00 C ATOM 0 H VAL A 32 1.582 5.982 -4.579 1.00 0.00 H new ATOM 0 HA VAL A 32 0.777 3.151 -4.620 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.757 5.577 -5.629 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.695 4.064 -5.506 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.444 3.448 -6.612 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.623 2.741 -4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.068 5.434 -3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.969 4.169 -2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.359 5.818 -3.230 1.00 0.00 H new ATOM 496 N THR A 37 0.916 9.585 -3.502 1.00 0.00 N ATOM 497 CA THR A 37 1.512 9.082 -2.270 1.00 0.00 C ATOM 498 C THR A 37 0.447 8.857 -1.201 1.00 0.00 C ATOM 499 O THR A 37 -0.501 9.634 -1.083 1.00 0.00 O ATOM 500 CB THR A 37 2.569 10.059 -1.753 1.00 0.00 C ATOM 501 OG1 THR A 37 2.048 11.376 -1.695 1.00 0.00 O ATOM 502 CG2 THR A 37 3.818 10.095 -2.607 1.00 0.00 C ATOM 0 HA THR A 37 1.987 8.126 -2.491 1.00 0.00 H new ATOM 0 HB THR A 37 2.838 9.697 -0.761 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.374 11.492 -2.397 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.527 10.808 -2.185 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.271 9.104 -2.631 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.557 10.400 -3.621 1.00 0.00 H new ATOM 510 N GLY A 38 0.609 7.790 -0.426 1.00 0.00 N ATOM 511 CA GLY A 38 -0.345 7.483 0.623 1.00 0.00 C ATOM 512 C GLY A 38 0.244 6.592 1.700 1.00 0.00 C ATOM 513 O GLY A 38 1.189 5.845 1.448 1.00 0.00 O ATOM 0 H GLY A 38 1.384 7.132 -0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.695 8.411 1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.215 6.993 0.186 1.00 0.00 H new ATOM 517 N VAL A 39 -0.317 6.673 2.903 1.00 0.00 N ATOM 518 CA VAL A 39 0.160 5.868 4.022 1.00 0.00 C ATOM 519 C VAL A 39 -0.567 4.530 4.083 1.00 0.00 C ATOM 520 O VAL A 39 -1.728 4.423 3.686 1.00 0.00 O ATOM 521 CB VAL A 39 -0.027 6.605 5.363 1.00 0.00 C ATOM 522 CG1 VAL A 39 0.615 5.820 6.498 1.00 0.00 C ATOM 523 CG2 VAL A 39 0.547 8.011 5.288 1.00 0.00 C ATOM 0 H VAL A 39 -1.100 7.286 3.127 1.00 0.00 H new ATOM 0 HA VAL A 39 1.223 5.693 3.858 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.095 6.685 5.564 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.473 6.356 7.437 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.151 4.836 6.568 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.681 5.705 6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.405 8.514 6.245 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.612 7.958 5.061 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.037 8.571 4.504 1.00 0.00 H new ATOM 533 N VAL A 40 0.122 3.510 4.584 1.00 0.00 N ATOM 534 CA VAL A 40 -0.458 2.178 4.697 1.00 0.00 C ATOM 535 C VAL A 40 -1.419 2.096 5.878 1.00 0.00 C ATOM 536 O VAL A 40 -1.050 2.393 7.014 1.00 0.00 O ATOM 537 CB VAL A 40 0.631 1.102 4.862 1.00 0.00 C ATOM 538 CG1 VAL A 40 0.025 -0.291 4.788 1.00 0.00 C ATOM 539 CG2 VAL A 40 1.716 1.275 3.810 1.00 0.00 C ATOM 0 H VAL A 40 1.083 3.581 4.918 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.004 1.992 3.772 1.00 0.00 H new ATOM 0 HB VAL A 40 1.086 1.222 5.845 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.811 -1.037 4.907 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.711 -0.410 5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.460 -0.426 3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.477 0.506 3.942 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.277 1.184 2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.172 2.259 3.917 1.00 0.00 H new ATOM 549 N ARG A 41 -2.655 1.691 5.602 1.00 0.00 N ATOM 550 CA ARG A 41 -3.671 1.571 6.643 1.00 0.00 C ATOM 551 C ARG A 41 -4.026 0.108 6.889 1.00 0.00 C ATOM 552 O ARG A 41 -4.326 -0.287 8.015 1.00 0.00 O ATOM 553 CB ARG A 41 -4.925 2.354 6.253 1.00 0.00 C ATOM 554 CG ARG A 41 -4.717 3.859 6.222 1.00 0.00 C ATOM 555 CD ARG A 41 -4.431 4.410 7.610 1.00 0.00 C ATOM 556 NE ARG A 41 -5.554 4.208 8.522 1.00 0.00 N ATOM 557 CZ ARG A 41 -5.685 4.837 9.687 1.00 0.00 C ATOM 558 NH1 ARG A 41 -4.766 5.708 10.086 1.00 0.00 N ATOM 559 NH2 ARG A 41 -6.737 4.594 10.457 1.00 0.00 N ATOM 0 H ARG A 41 -2.977 1.441 4.667 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.264 1.987 7.564 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.260 2.022 5.270 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.723 2.120 6.958 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.888 4.099 5.556 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.605 4.342 5.813 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.543 3.926 8.016 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.209 5.475 7.539 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.280 3.546 8.250 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.954 5.898 9.498 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.872 6.187 10.980 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.446 3.925 10.156 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.838 5.076 11.350 1.00 0.00 H new ATOM 573 N TYR A 42 -3.990 -0.692 5.828 1.00 0.00 N ATOM 574 CA TYR A 42 -4.309 -2.111 5.929 1.00 0.00 C ATOM 575 C TYR A 42 -3.268 -2.957 5.203 1.00 0.00 C ATOM 576 O TYR A 42 -2.752 -2.561 4.158 1.00 0.00 O ATOM 577 CB TYR A 42 -5.699 -2.385 5.352 1.00 0.00 C ATOM 578 CG TYR A 42 -6.335 -3.652 5.879 1.00 0.00 C ATOM 579 CD1 TYR A 42 -6.756 -3.743 7.201 1.00 0.00 C ATOM 580 CD2 TYR A 42 -6.513 -4.757 5.056 1.00 0.00 C ATOM 581 CE1 TYR A 42 -7.337 -4.899 7.686 1.00 0.00 C ATOM 582 CE2 TYR A 42 -7.094 -5.916 5.534 1.00 0.00 C ATOM 583 CZ TYR A 42 -7.504 -5.982 6.849 1.00 0.00 C ATOM 584 OH TYR A 42 -8.083 -7.135 7.329 1.00 0.00 O ATOM 0 H TYR A 42 -3.743 -0.381 4.888 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.301 -2.385 6.984 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.350 -1.541 5.578 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.626 -2.449 4.266 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.627 -2.897 7.859 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.192 -4.709 4.026 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.659 -4.954 8.715 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -7.226 -6.766 4.881 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.128 -7.802 6.612 1.00 0.00 H new ATOM 594 N VAL A 43 -2.965 -4.123 5.764 1.00 0.00 N ATOM 595 CA VAL A 43 -1.987 -5.025 5.170 1.00 0.00 C ATOM 596 C VAL A 43 -2.368 -6.483 5.405 1.00 0.00 C ATOM 597 O VAL A 43 -2.457 -6.935 6.547 1.00 0.00 O ATOM 598 CB VAL A 43 -0.577 -4.779 5.739 1.00 0.00 C ATOM 599 CG1 VAL A 43 0.459 -5.585 4.969 1.00 0.00 C ATOM 600 CG2 VAL A 43 -0.240 -3.296 5.708 1.00 0.00 C ATOM 0 H VAL A 43 -3.383 -4.465 6.629 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.981 -4.821 4.099 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.562 -5.110 6.777 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.449 -5.398 5.386 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.227 -6.647 5.049 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.445 -5.288 3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.760 -3.142 6.114 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.274 -2.937 4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.964 -2.746 6.308 1.00 0.00 H new ATOM 610 N GLY A 44 -2.593 -7.214 4.318 1.00 0.00 N ATOM 611 CA GLY A 44 -2.964 -8.612 4.430 1.00 0.00 C ATOM 612 C GLY A 44 -3.902 -9.055 3.321 1.00 0.00 C ATOM 613 O GLY A 44 -4.587 -8.229 2.719 1.00 0.00 O ATOM 0 H GLY A 44 -2.525 -6.863 3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.064 -9.226 4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.442 -8.782 5.395 1.00 0.00 H new ATOM 617 N PRO A 45 -3.955 -10.366 3.028 1.00 0.00 N ATOM 618 CA PRO A 45 -4.825 -10.905 1.978 1.00 0.00 C ATOM 619 C PRO A 45 -6.276 -10.469 2.146 1.00 0.00 C ATOM 620 O PRO A 45 -6.634 -9.840 3.143 1.00 0.00 O ATOM 621 CB PRO A 45 -4.699 -12.421 2.153 1.00 0.00 C ATOM 622 CG PRO A 45 -3.377 -12.619 2.809 1.00 0.00 C ATOM 623 CD PRO A 45 -3.172 -11.423 3.695 1.00 0.00 C ATOM 0 HA PRO A 45 -4.534 -10.551 0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.508 -12.817 2.766 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.745 -12.935 1.193 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.364 -13.542 3.389 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.581 -12.697 2.068 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.528 -11.608 4.709 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.118 -11.155 3.771 1.00 0.00 H new ATOM 631 N ALA A 46 -7.109 -10.807 1.167 1.00 0.00 N ATOM 632 CA ALA A 46 -8.522 -10.452 1.207 1.00 0.00 C ATOM 633 C ALA A 46 -9.400 -11.698 1.237 1.00 0.00 C ATOM 634 O ALA A 46 -8.905 -12.815 1.394 1.00 0.00 O ATOM 635 CB ALA A 46 -8.880 -9.580 0.014 1.00 0.00 C ATOM 0 H ALA A 46 -6.829 -11.327 0.335 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.705 -9.889 2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.938 -9.322 0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.283 -8.668 0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.676 -10.124 -0.908 1.00 0.00 H new ATOM 641 N ASP A 47 -10.706 -11.500 1.084 1.00 0.00 N ATOM 642 CA ASP A 47 -11.653 -12.609 1.093 1.00 0.00 C ATOM 643 C ASP A 47 -12.215 -12.855 -0.304 1.00 0.00 C ATOM 644 O ASP A 47 -12.525 -13.989 -0.668 1.00 0.00 O ATOM 645 CB ASP A 47 -12.793 -12.325 2.071 1.00 0.00 C ATOM 646 CG ASP A 47 -12.309 -12.203 3.503 1.00 0.00 C ATOM 647 OD1 ASP A 47 -11.418 -11.365 3.759 1.00 0.00 O ATOM 648 OD2 ASP A 47 -12.819 -12.945 4.368 1.00 0.00 O ATOM 0 H ASP A 47 -11.132 -10.583 0.952 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.122 -13.505 1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.296 -11.403 1.781 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.531 -13.125 2.007 1.00 0.00 H new ATOM 653 N PHE A 48 -12.342 -11.786 -1.082 1.00 0.00 N ATOM 654 CA PHE A 48 -12.866 -11.886 -2.440 1.00 0.00 C ATOM 655 C PHE A 48 -11.806 -12.427 -3.393 1.00 0.00 C ATOM 656 O PHE A 48 -12.123 -13.111 -4.366 1.00 0.00 O ATOM 657 CB PHE A 48 -13.353 -10.519 -2.923 1.00 0.00 C ATOM 658 CG PHE A 48 -12.265 -9.488 -3.006 1.00 0.00 C ATOM 659 CD1 PHE A 48 -11.949 -8.704 -1.908 1.00 0.00 C ATOM 660 CD2 PHE A 48 -11.556 -9.304 -4.183 1.00 0.00 C ATOM 661 CE1 PHE A 48 -10.948 -7.754 -1.981 1.00 0.00 C ATOM 662 CE2 PHE A 48 -10.553 -8.355 -4.262 1.00 0.00 C ATOM 663 CZ PHE A 48 -10.249 -7.580 -3.160 1.00 0.00 C ATOM 0 H PHE A 48 -12.089 -10.840 -0.796 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.707 -12.580 -2.428 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.810 -10.632 -3.906 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -14.131 -10.161 -2.249 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.492 -8.837 -0.984 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -11.789 -9.908 -5.047 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -10.713 -7.149 -1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -10.008 -8.220 -5.185 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.466 -6.839 -3.220 1.00 0.00 H new ATOM 673 N GLN A 49 -10.546 -12.114 -3.108 1.00 0.00 N ATOM 674 CA GLN A 49 -9.439 -12.567 -3.940 1.00 0.00 C ATOM 675 C GLN A 49 -8.312 -13.139 -3.086 1.00 0.00 C ATOM 676 O GLN A 49 -8.229 -12.865 -1.888 1.00 0.00 O ATOM 677 CB GLN A 49 -8.911 -11.415 -4.796 1.00 0.00 C ATOM 678 CG GLN A 49 -9.702 -11.195 -6.076 1.00 0.00 C ATOM 679 CD GLN A 49 -8.858 -11.377 -7.323 1.00 0.00 C ATOM 680 OE1 GLN A 49 -9.254 -12.072 -8.259 1.00 0.00 O ATOM 681 NE2 GLN A 49 -7.688 -10.750 -7.341 1.00 0.00 N ATOM 0 H GLN A 49 -10.267 -11.548 -2.307 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.810 -13.356 -4.594 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.928 -10.498 -4.207 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.870 -11.611 -5.052 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.540 -11.891 -6.105 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.123 -10.189 -6.070 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.400 -10.184 -6.543 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.077 -10.834 -8.153 1.00 0.00 H new ATOM 690 N GLU A 50 -7.447 -13.932 -3.708 1.00 0.00 N ATOM 691 CA GLU A 50 -6.325 -14.541 -3.005 1.00 0.00 C ATOM 692 C GLU A 50 -5.059 -13.706 -3.173 1.00 0.00 C ATOM 693 O GLU A 50 -5.023 -12.770 -3.971 1.00 0.00 O ATOM 694 CB GLU A 50 -6.085 -15.962 -3.519 1.00 0.00 C ATOM 695 CG GLU A 50 -6.836 -17.027 -2.737 1.00 0.00 C ATOM 696 CD GLU A 50 -8.334 -16.791 -2.722 1.00 0.00 C ATOM 697 OE1 GLU A 50 -8.911 -16.566 -3.807 1.00 0.00 O ATOM 698 OE2 GLU A 50 -8.930 -16.830 -1.625 1.00 0.00 O ATOM 0 H GLU A 50 -7.502 -14.168 -4.699 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.573 -14.583 -1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.382 -16.015 -4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.017 -16.179 -3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.630 -18.005 -3.172 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.465 -17.050 -1.712 1.00 0.00 H new ATOM 705 N GLY A 51 -4.024 -14.052 -2.416 1.00 0.00 N ATOM 706 CA GLY A 51 -2.771 -13.324 -2.496 1.00 0.00 C ATOM 707 C GLY A 51 -2.561 -12.397 -1.316 1.00 0.00 C ATOM 708 O GLY A 51 -2.815 -12.772 -0.171 1.00 0.00 O ATOM 0 H GLY A 51 -4.030 -14.823 -1.749 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.945 -14.034 -2.548 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.750 -12.743 -3.418 1.00 0.00 H new ATOM 712 N THR A 52 -2.096 -11.184 -1.594 1.00 0.00 N ATOM 713 CA THR A 52 -1.852 -10.199 -0.546 1.00 0.00 C ATOM 714 C THR A 52 -2.294 -8.809 -0.991 1.00 0.00 C ATOM 715 O THR A 52 -2.080 -8.417 -2.139 1.00 0.00 O ATOM 716 CB THR A 52 -0.370 -10.181 -0.170 1.00 0.00 C ATOM 717 OG1 THR A 52 0.091 -11.489 0.118 1.00 0.00 O ATOM 718 CG2 THR A 52 -0.068 -9.312 1.032 1.00 0.00 C ATOM 0 H THR A 52 -1.880 -10.859 -2.536 1.00 0.00 H new ATOM 0 HA THR A 52 -2.438 -10.483 0.328 1.00 0.00 H new ATOM 0 HB THR A 52 0.143 -9.764 -1.037 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.041 -11.456 0.355 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.001 -9.344 1.245 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.366 -8.285 0.822 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.621 -9.681 1.896 1.00 0.00 H new ATOM 726 N TRP A 53 -2.909 -8.068 -0.077 1.00 0.00 N ATOM 727 CA TRP A 53 -3.381 -6.721 -0.375 1.00 0.00 C ATOM 728 C TRP A 53 -2.860 -5.722 0.652 1.00 0.00 C ATOM 729 O TRP A 53 -2.511 -6.093 1.773 1.00 0.00 O ATOM 730 CB TRP A 53 -4.910 -6.688 -0.406 1.00 0.00 C ATOM 731 CG TRP A 53 -5.497 -7.405 -1.583 1.00 0.00 C ATOM 732 CD1 TRP A 53 -5.873 -8.715 -1.640 1.00 0.00 C ATOM 733 CD2 TRP A 53 -5.772 -6.850 -2.874 1.00 0.00 C ATOM 734 NE1 TRP A 53 -6.367 -9.009 -2.888 1.00 0.00 N ATOM 735 CE2 TRP A 53 -6.316 -7.881 -3.664 1.00 0.00 C ATOM 736 CE3 TRP A 53 -5.614 -5.581 -3.440 1.00 0.00 C ATOM 737 CZ2 TRP A 53 -6.701 -7.682 -4.987 1.00 0.00 C ATOM 738 CZ3 TRP A 53 -5.996 -5.385 -4.754 1.00 0.00 C ATOM 739 CH2 TRP A 53 -6.534 -6.431 -5.515 1.00 0.00 C ATOM 0 H TRP A 53 -3.093 -8.377 0.877 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.999 -6.439 -1.356 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.294 -7.135 0.511 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.243 -5.650 -0.419 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.794 -9.418 -0.824 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.715 -9.920 -3.188 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.201 -4.768 -2.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.117 -8.487 -5.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.878 -4.409 -5.201 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -6.823 -6.246 -6.539 1.00 0.00 H new ATOM 750 N VAL A 54 -2.809 -4.452 0.264 1.00 0.00 N ATOM 751 CA VAL A 54 -2.331 -3.399 1.152 1.00 0.00 C ATOM 752 C VAL A 54 -3.096 -2.100 0.927 1.00 0.00 C ATOM 753 O VAL A 54 -3.019 -1.501 -0.146 1.00 0.00 O ATOM 754 CB VAL A 54 -0.826 -3.137 0.952 1.00 0.00 C ATOM 755 CG1 VAL A 54 -0.304 -2.184 2.017 1.00 0.00 C ATOM 756 CG2 VAL A 54 -0.050 -4.444 0.967 1.00 0.00 C ATOM 0 H VAL A 54 -3.093 -4.127 -0.660 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.500 -3.744 2.172 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.683 -2.669 -0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.761 -2.011 1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.839 -1.237 1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.459 -2.621 3.004 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.011 -4.239 0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.197 -4.944 1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.406 -5.088 0.163 1.00 0.00 H new ATOM 766 N GLY A 55 -3.834 -1.669 1.944 1.00 0.00 N ATOM 767 CA GLY A 55 -4.603 -0.444 1.837 1.00 0.00 C ATOM 768 C GLY A 55 -3.745 0.795 1.999 1.00 0.00 C ATOM 769 O GLY A 55 -2.846 0.831 2.839 1.00 0.00 O ATOM 0 H GLY A 55 -3.913 -2.147 2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.100 -0.414 0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.385 -0.442 2.596 1.00 0.00 H new ATOM 773 N VAL A 56 -4.024 1.815 1.192 1.00 0.00 N ATOM 774 CA VAL A 56 -3.272 3.062 1.250 1.00 0.00 C ATOM 775 C VAL A 56 -4.205 4.258 1.410 1.00 0.00 C ATOM 776 O VAL A 56 -5.245 4.337 0.756 1.00 0.00 O ATOM 777 CB VAL A 56 -2.414 3.261 -0.015 1.00 0.00 C ATOM 778 CG1 VAL A 56 -1.512 4.477 0.136 1.00 0.00 C ATOM 779 CG2 VAL A 56 -1.593 2.014 -0.308 1.00 0.00 C ATOM 0 H VAL A 56 -4.765 1.801 0.491 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.616 2.996 2.118 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.082 3.434 -0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.914 4.601 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.123 5.366 0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.852 4.336 0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.994 2.175 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.935 1.805 0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.261 1.167 -0.465 1.00 0.00 H new ATOM 789 N GLU A 57 -3.827 5.184 2.284 1.00 0.00 N ATOM 790 CA GLU A 57 -4.631 6.376 2.530 1.00 0.00 C ATOM 791 C GLU A 57 -4.047 7.585 1.806 1.00 0.00 C ATOM 792 O GLU A 57 -3.054 8.163 2.245 1.00 0.00 O ATOM 793 CB GLU A 57 -4.716 6.657 4.032 1.00 0.00 C ATOM 794 CG GLU A 57 -5.569 7.869 4.376 1.00 0.00 C ATOM 795 CD GLU A 57 -5.202 8.478 5.715 1.00 0.00 C ATOM 796 OE1 GLU A 57 -4.586 7.771 6.540 1.00 0.00 O ATOM 797 OE2 GLU A 57 -5.530 9.663 5.938 1.00 0.00 O ATOM 0 H GLU A 57 -2.969 5.133 2.834 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.634 6.194 2.144 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.125 5.781 4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.710 6.808 4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.456 8.621 3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.619 7.578 4.389 1.00 0.00 H new ATOM 804 N LEU A 58 -4.673 7.962 0.696 1.00 0.00 N ATOM 805 CA LEU A 58 -4.217 9.102 -0.089 1.00 0.00 C ATOM 806 C LEU A 58 -4.727 10.411 0.504 1.00 0.00 C ATOM 807 O LEU A 58 -5.779 10.447 1.142 1.00 0.00 O ATOM 808 CB LEU A 58 -4.686 8.971 -1.539 1.00 0.00 C ATOM 809 CG LEU A 58 -4.126 7.765 -2.294 1.00 0.00 C ATOM 810 CD1 LEU A 58 -4.883 7.551 -3.597 1.00 0.00 C ATOM 811 CD2 LEU A 58 -2.640 7.949 -2.563 1.00 0.00 C ATOM 0 H LEU A 58 -5.498 7.494 0.320 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.127 9.113 -0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.774 8.913 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.410 9.878 -2.077 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.256 6.879 -1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.470 6.688 -4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.937 7.374 -3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.785 8.437 -4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.258 7.082 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.487 8.845 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.109 8.052 -1.617 1.00 0.00 H new ATOM 823 N ASP A 59 -3.975 11.487 0.288 1.00 0.00 N ATOM 824 CA ASP A 59 -4.354 12.798 0.801 1.00 0.00 C ATOM 825 C ASP A 59 -5.066 13.619 -0.271 1.00 0.00 C ATOM 826 O ASP A 59 -5.098 14.849 -0.206 1.00 0.00 O ATOM 827 CB ASP A 59 -3.117 13.550 1.297 1.00 0.00 C ATOM 828 CG ASP A 59 -3.385 14.327 2.570 1.00 0.00 C ATOM 829 OD1 ASP A 59 -4.511 14.846 2.723 1.00 0.00 O ATOM 830 OD2 ASP A 59 -2.470 14.418 3.415 1.00 0.00 O ATOM 0 H ASP A 59 -3.101 11.476 -0.238 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.041 12.650 1.634 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.309 12.840 1.472 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.777 14.236 0.521 1.00 0.00 H new ATOM 835 N LEU A 60 -5.637 12.934 -1.259 1.00 0.00 N ATOM 836 CA LEU A 60 -6.349 13.600 -2.342 1.00 0.00 C ATOM 837 C LEU A 60 -7.437 12.694 -2.914 1.00 0.00 C ATOM 838 O LEU A 60 -7.291 11.473 -2.931 1.00 0.00 O ATOM 839 CB LEU A 60 -5.372 14.005 -3.449 1.00 0.00 C ATOM 840 CG LEU A 60 -4.388 15.114 -3.072 1.00 0.00 C ATOM 841 CD1 LEU A 60 -3.272 15.209 -4.101 1.00 0.00 C ATOM 842 CD2 LEU A 60 -5.113 16.445 -2.944 1.00 0.00 C ATOM 0 H LEU A 60 -5.619 11.917 -1.330 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.821 14.496 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.805 13.125 -3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.945 14.329 -4.318 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.944 14.869 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.582 16.003 -3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.736 14.261 -4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.697 15.431 -5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.399 17.224 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.583 16.696 -3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.877 16.370 -2.170 1.00 0.00 H new ATOM 854 N PRO A 61 -8.545 13.285 -3.393 1.00 0.00 N ATOM 855 CA PRO A 61 -9.658 12.522 -3.967 1.00 0.00 C ATOM 856 C PRO A 61 -9.302 11.903 -5.316 1.00 0.00 C ATOM 857 O PRO A 61 -9.760 12.362 -6.362 1.00 0.00 O ATOM 858 CB PRO A 61 -10.760 13.572 -4.133 1.00 0.00 C ATOM 859 CG PRO A 61 -10.032 14.863 -4.267 1.00 0.00 C ATOM 860 CD PRO A 61 -8.801 14.737 -3.412 1.00 0.00 C ATOM 0 HA PRO A 61 -9.944 11.681 -3.336 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.372 13.369 -5.012 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.430 13.582 -3.274 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.767 15.055 -5.307 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.652 15.696 -3.937 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.960 15.288 -3.834 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.967 15.129 -2.409 1.00 0.00 H new ATOM 868 N SER A 62 -8.482 10.858 -5.283 1.00 0.00 N ATOM 869 CA SER A 62 -8.063 10.176 -6.502 1.00 0.00 C ATOM 870 C SER A 62 -7.992 8.668 -6.284 1.00 0.00 C ATOM 871 O SER A 62 -6.974 8.144 -5.831 1.00 0.00 O ATOM 872 CB SER A 62 -6.703 10.704 -6.966 1.00 0.00 C ATOM 873 OG SER A 62 -6.819 11.394 -8.199 1.00 0.00 O ATOM 0 H SER A 62 -8.094 10.465 -4.425 1.00 0.00 H new ATOM 0 HA SER A 62 -8.804 10.378 -7.275 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.291 11.371 -6.209 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.004 9.874 -7.074 1.00 0.00 H new ATOM 0 HG SER A 62 -5.938 11.723 -8.474 1.00 0.00 H new ATOM 879 N GLY A 63 -9.078 7.975 -6.610 1.00 0.00 N ATOM 880 CA GLY A 63 -9.116 6.535 -6.442 1.00 0.00 C ATOM 881 C GLY A 63 -10.429 5.930 -6.901 1.00 0.00 C ATOM 882 O GLY A 63 -11.164 6.540 -7.678 1.00 0.00 O ATOM 0 H GLY A 63 -9.932 8.385 -6.987 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.297 6.085 -7.003 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.955 6.291 -5.392 1.00 0.00 H new ATOM 886 N LYS A 64 -10.723 4.727 -6.419 1.00 0.00 N ATOM 887 CA LYS A 64 -11.955 4.037 -6.782 1.00 0.00 C ATOM 888 C LYS A 64 -12.712 3.585 -5.537 1.00 0.00 C ATOM 889 O LYS A 64 -13.874 3.940 -5.341 1.00 0.00 O ATOM 890 CB LYS A 64 -11.644 2.832 -7.674 1.00 0.00 C ATOM 891 CG LYS A 64 -12.391 2.844 -8.998 1.00 0.00 C ATOM 892 CD LYS A 64 -11.762 1.888 -9.999 1.00 0.00 C ATOM 893 CE LYS A 64 -12.806 1.287 -10.926 1.00 0.00 C ATOM 894 NZ LYS A 64 -13.172 2.217 -12.030 1.00 0.00 N ATOM 0 H LYS A 64 -10.124 4.210 -5.776 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.586 4.734 -7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.572 2.804 -7.872 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.893 1.918 -7.135 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.432 2.567 -8.833 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.391 3.854 -9.408 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.012 2.417 -10.588 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.244 1.090 -9.466 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.425 0.357 -11.347 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.698 1.035 -10.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.886 1.769 -12.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.560 3.095 -11.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.326 2.437 -12.593 1.00 0.00 H new ATOM 908 N ASN A 65 -12.044 2.801 -4.699 1.00 0.00 N ATOM 909 CA ASN A 65 -12.650 2.300 -3.471 1.00 0.00 C ATOM 910 C ASN A 65 -12.193 3.117 -2.267 1.00 0.00 C ATOM 911 O ASN A 65 -10.998 3.330 -2.066 1.00 0.00 O ATOM 912 CB ASN A 65 -12.302 0.824 -3.266 1.00 0.00 C ATOM 913 CG ASN A 65 -10.826 0.541 -3.477 1.00 0.00 C ATOM 914 OD1 ASN A 65 -9.972 1.372 -3.171 1.00 0.00 O ATOM 915 ND2 ASN A 65 -10.520 -0.639 -4.005 1.00 0.00 N ATOM 0 H ASN A 65 -11.081 2.498 -4.848 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.732 2.398 -3.564 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.586 0.524 -2.257 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.888 0.217 -3.956 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.544 -0.886 -4.171 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -11.261 -1.298 -4.244 1.00 0.00 H new ATOM 922 N ASP A 66 -13.153 3.575 -1.470 1.00 0.00 N ATOM 923 CA ASP A 66 -12.848 4.370 -0.286 1.00 0.00 C ATOM 924 C ASP A 66 -12.776 3.491 0.958 1.00 0.00 C ATOM 925 O ASP A 66 -13.296 3.849 2.016 1.00 0.00 O ATOM 926 CB ASP A 66 -13.903 5.463 -0.096 1.00 0.00 C ATOM 927 CG ASP A 66 -15.305 4.899 0.022 1.00 0.00 C ATOM 928 OD1 ASP A 66 -15.438 3.693 0.319 1.00 0.00 O ATOM 929 OD2 ASP A 66 -16.272 5.664 -0.184 1.00 0.00 O ATOM 0 H ASP A 66 -14.148 3.409 -1.622 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.874 4.837 -0.433 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.669 6.038 0.800 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -13.862 6.154 -0.938 1.00 0.00 H new ATOM 934 N GLY A 67 -12.128 2.338 0.827 1.00 0.00 N ATOM 935 CA GLY A 67 -11.999 1.427 1.949 1.00 0.00 C ATOM 936 C GLY A 67 -13.057 0.341 1.938 1.00 0.00 C ATOM 937 O GLY A 67 -12.831 -0.759 2.443 1.00 0.00 O ATOM 0 H GLY A 67 -11.690 2.018 -0.037 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.011 0.968 1.928 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.070 1.990 2.880 1.00 0.00 H new ATOM 941 N SER A 68 -14.214 0.650 1.362 1.00 0.00 N ATOM 942 CA SER A 68 -15.311 -0.308 1.289 1.00 0.00 C ATOM 943 C SER A 68 -15.396 -0.931 -0.101 1.00 0.00 C ATOM 944 O SER A 68 -15.504 -0.224 -1.104 1.00 0.00 O ATOM 945 CB SER A 68 -16.635 0.372 1.639 1.00 0.00 C ATOM 946 OG SER A 68 -16.913 1.437 0.747 1.00 0.00 O ATOM 0 H SER A 68 -14.416 1.556 0.939 1.00 0.00 H new ATOM 0 HA SER A 68 -15.117 -1.101 2.012 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.443 -0.358 1.602 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.594 0.750 2.660 1.00 0.00 H new ATOM 0 HG SER A 68 -16.268 2.160 0.890 1.00 0.00 H new ATOM 952 N ILE A 69 -15.349 -2.258 -0.154 1.00 0.00 N ATOM 953 CA ILE A 69 -15.420 -2.976 -1.421 1.00 0.00 C ATOM 954 C ILE A 69 -16.389 -4.150 -1.331 1.00 0.00 C ATOM 955 O ILE A 69 -16.100 -5.160 -0.690 1.00 0.00 O ATOM 956 CB ILE A 69 -14.036 -3.499 -1.850 1.00 0.00 C ATOM 957 CG1 ILE A 69 -12.996 -2.379 -1.774 1.00 0.00 C ATOM 958 CG2 ILE A 69 -14.099 -4.077 -3.256 1.00 0.00 C ATOM 959 CD1 ILE A 69 -11.571 -2.882 -1.710 1.00 0.00 C ATOM 0 H ILE A 69 -15.262 -2.858 0.666 1.00 0.00 H new ATOM 0 HA ILE A 69 -15.778 -2.267 -2.167 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.737 -4.293 -1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -13.106 -1.732 -2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -13.197 -1.767 -0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.113 -4.442 -3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -14.812 -4.901 -3.279 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.417 -3.302 -3.954 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.888 -2.034 -1.658 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.444 -3.505 -0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -11.352 -3.470 -2.601 1.00 0.00 H new ATOM 971 N GLY A 70 -17.542 -4.009 -1.979 1.00 0.00 N ATOM 972 CA GLY A 70 -18.536 -5.066 -1.960 1.00 0.00 C ATOM 973 C GLY A 70 -19.188 -5.224 -0.600 1.00 0.00 C ATOM 974 O GLY A 70 -19.593 -6.323 -0.223 1.00 0.00 O ATOM 0 H GLY A 70 -17.805 -3.183 -2.516 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -19.303 -4.853 -2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.067 -6.007 -2.246 1.00 0.00 H new ATOM 978 N GLY A 71 -19.288 -4.123 0.137 1.00 0.00 N ATOM 979 CA GLY A 71 -19.896 -4.164 1.454 1.00 0.00 C ATOM 980 C GLY A 71 -18.942 -4.676 2.516 1.00 0.00 C ATOM 981 O GLY A 71 -19.309 -5.519 3.335 1.00 0.00 O ATOM 0 H GLY A 71 -18.959 -3.203 -0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -20.235 -3.164 1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -20.779 -4.803 1.424 1.00 0.00 H new ATOM 985 N LYS A 72 -17.715 -4.167 2.502 1.00 0.00 N ATOM 986 CA LYS A 72 -16.706 -4.578 3.471 1.00 0.00 C ATOM 987 C LYS A 72 -15.623 -3.514 3.612 1.00 0.00 C ATOM 988 O LYS A 72 -14.838 -3.288 2.691 1.00 0.00 O ATOM 989 CB LYS A 72 -16.079 -5.909 3.052 1.00 0.00 C ATOM 990 CG LYS A 72 -15.273 -6.576 4.155 1.00 0.00 C ATOM 991 CD LYS A 72 -15.813 -7.959 4.486 1.00 0.00 C ATOM 992 CE LYS A 72 -16.677 -7.935 5.737 1.00 0.00 C ATOM 993 NZ LYS A 72 -18.013 -7.332 5.477 1.00 0.00 N ATOM 0 H LYS A 72 -17.395 -3.469 1.830 1.00 0.00 H new ATOM 0 HA LYS A 72 -17.195 -4.703 4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -16.869 -6.588 2.729 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.432 -5.741 2.191 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.231 -6.656 3.847 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.294 -5.953 5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.398 -8.333 3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.983 -8.650 4.629 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.804 -8.951 6.110 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.169 -7.369 6.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.161 -6.527 6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.059 -7.003 4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.753 -8.045 5.639 1.00 0.00 H new ATOM 1007 N GLN A 73 -15.585 -2.864 4.770 1.00 0.00 N ATOM 1008 CA GLN A 73 -14.597 -1.823 5.031 1.00 0.00 C ATOM 1009 C GLN A 73 -13.298 -2.425 5.557 1.00 0.00 C ATOM 1010 O GLN A 73 -13.316 -3.349 6.370 1.00 0.00 O ATOM 1011 CB GLN A 73 -15.148 -0.806 6.035 1.00 0.00 C ATOM 1012 CG GLN A 73 -15.605 0.494 5.394 1.00 0.00 C ATOM 1013 CD GLN A 73 -17.024 0.867 5.775 1.00 0.00 C ATOM 1014 OE1 GLN A 73 -17.261 1.897 6.408 1.00 0.00 O ATOM 1015 NE2 GLN A 73 -17.979 0.028 5.391 1.00 0.00 N ATOM 0 H GLN A 73 -16.227 -3.039 5.543 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.385 -1.314 4.091 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -15.987 -1.253 6.569 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -14.379 -0.586 6.776 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -14.930 1.297 5.691 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -15.536 0.404 4.310 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -17.738 -0.814 4.868 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -18.953 0.226 5.619 1.00 0.00 H new ATOM 1024 N TYR A 74 -12.174 -1.897 5.087 1.00 0.00 N ATOM 1025 CA TYR A 74 -10.865 -2.382 5.511 1.00 0.00 C ATOM 1026 C TYR A 74 -10.181 -1.373 6.427 1.00 0.00 C ATOM 1027 O TYR A 74 -9.900 -1.665 7.589 1.00 0.00 O ATOM 1028 CB TYR A 74 -9.983 -2.661 4.292 1.00 0.00 C ATOM 1029 CG TYR A 74 -10.452 -3.832 3.459 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -11.666 -3.789 2.786 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -9.679 -4.981 3.343 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -12.098 -4.857 2.023 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -10.104 -6.053 2.582 1.00 0.00 C ATOM 1034 CZ TYR A 74 -11.313 -5.986 1.924 1.00 0.00 C ATOM 1035 OH TYR A 74 -11.740 -7.051 1.165 1.00 0.00 O ATOM 0 H TYR A 74 -12.142 -1.133 4.412 1.00 0.00 H new ATOM 0 HA TYR A 74 -11.011 -3.309 6.066 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.952 -1.770 3.665 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.963 -2.850 4.628 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -12.283 -2.906 2.860 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.730 -5.037 3.856 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -13.045 -4.808 1.507 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.492 -6.939 2.503 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.071 -7.766 1.199 1.00 0.00 H new ATOM 1045 N PHE A 75 -9.916 -0.184 5.896 1.00 0.00 N ATOM 1046 CA PHE A 75 -9.264 0.870 6.665 1.00 0.00 C ATOM 1047 C PHE A 75 -10.233 2.011 6.967 1.00 0.00 C ATOM 1048 O PHE A 75 -10.008 2.799 7.886 1.00 0.00 O ATOM 1049 CB PHE A 75 -8.047 1.405 5.907 1.00 0.00 C ATOM 1050 CG PHE A 75 -8.321 1.690 4.457 1.00 0.00 C ATOM 1051 CD1 PHE A 75 -8.806 2.924 4.060 1.00 0.00 C ATOM 1052 CD2 PHE A 75 -8.094 0.721 3.493 1.00 0.00 C ATOM 1053 CE1 PHE A 75 -9.059 3.190 2.727 1.00 0.00 C ATOM 1054 CE2 PHE A 75 -8.344 0.979 2.159 1.00 0.00 C ATOM 1055 CZ PHE A 75 -8.827 2.215 1.776 1.00 0.00 C ATOM 0 H PHE A 75 -10.143 0.074 4.936 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.935 0.441 7.611 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.701 2.319 6.390 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.236 0.680 5.980 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.989 3.689 4.801 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -7.717 -0.247 3.788 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.437 4.157 2.430 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.162 0.216 1.417 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.023 2.419 0.734 1.00 0.00 H new ATOM 1065 N ARG A 76 -11.309 2.098 6.187 1.00 0.00 N ATOM 1066 CA ARG A 76 -12.306 3.146 6.374 1.00 0.00 C ATOM 1067 C ARG A 76 -11.701 4.524 6.126 1.00 0.00 C ATOM 1068 O ARG A 76 -10.737 4.917 6.783 1.00 0.00 O ATOM 1069 CB ARG A 76 -12.892 3.079 7.788 1.00 0.00 C ATOM 1070 CG ARG A 76 -14.175 2.270 7.877 1.00 0.00 C ATOM 1071 CD ARG A 76 -14.682 2.188 9.308 1.00 0.00 C ATOM 1072 NE ARG A 76 -16.082 1.773 9.370 1.00 0.00 N ATOM 1073 CZ ARG A 76 -16.864 1.957 10.432 1.00 0.00 C ATOM 1074 NH1 ARG A 76 -16.387 2.548 11.520 1.00 0.00 N ATOM 1075 NH2 ARG A 76 -18.125 1.551 10.404 1.00 0.00 N ATOM 0 H ARG A 76 -11.511 1.455 5.421 1.00 0.00 H new ATOM 0 HA ARG A 76 -13.105 2.984 5.650 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.151 2.645 8.459 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -13.086 4.092 8.140 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.938 2.724 7.245 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -14.000 1.265 7.493 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -14.070 1.483 9.870 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -14.570 3.160 9.788 1.00 0.00 H new ATOM 0 HE ARG A 76 -16.484 1.316 8.552 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -15.417 2.864 11.545 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -16.990 2.687 12.331 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -18.496 1.098 9.569 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -18.724 1.692 11.217 1.00 0.00 H new ATOM 1089 N CYS A 77 -12.273 5.253 5.173 1.00 0.00 N ATOM 1090 CA CYS A 77 -11.790 6.588 4.837 1.00 0.00 C ATOM 1091 C CYS A 77 -12.844 7.366 4.055 1.00 0.00 C ATOM 1092 O CYS A 77 -13.955 6.883 3.842 1.00 0.00 O ATOM 1093 CB CYS A 77 -10.498 6.495 4.025 1.00 0.00 C ATOM 1094 SG CYS A 77 -8.993 6.520 5.026 1.00 0.00 S ATOM 0 H CYS A 77 -13.071 4.942 4.620 1.00 0.00 H new ATOM 0 HA CYS A 77 -11.588 7.120 5.766 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.516 5.577 3.438 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.465 7.324 3.318 1.00 0.00 H new ATOM 0 HG CYS A 77 -9.178 5.819 6.105 1.00 0.00 H new ATOM 1100 N ASN A 78 -12.485 8.573 3.630 1.00 0.00 N ATOM 1101 CA ASN A 78 -13.399 9.418 2.871 1.00 0.00 C ATOM 1102 C ASN A 78 -13.397 9.033 1.393 1.00 0.00 C ATOM 1103 O ASN A 78 -12.424 8.470 0.892 1.00 0.00 O ATOM 1104 CB ASN A 78 -13.013 10.891 3.026 1.00 0.00 C ATOM 1105 CG ASN A 78 -13.613 11.518 4.268 1.00 0.00 C ATOM 1106 OD1 ASN A 78 -13.795 10.852 5.288 1.00 0.00 O ATOM 1107 ND2 ASN A 78 -13.925 12.806 4.189 1.00 0.00 N ATOM 0 H ASN A 78 -11.568 8.987 3.798 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.404 9.269 3.266 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.927 10.977 3.067 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.343 11.445 2.147 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -14.333 13.282 4.994 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -13.757 13.319 3.324 1.00 0.00 H new ATOM 1114 N PRO A 79 -14.493 9.333 0.674 1.00 0.00 N ATOM 1115 CA PRO A 79 -14.612 9.014 -0.752 1.00 0.00 C ATOM 1116 C PRO A 79 -13.443 9.556 -1.566 1.00 0.00 C ATOM 1117 O PRO A 79 -13.333 10.761 -1.788 1.00 0.00 O ATOM 1118 CB PRO A 79 -15.916 9.703 -1.165 1.00 0.00 C ATOM 1119 CG PRO A 79 -16.703 9.815 0.094 1.00 0.00 C ATOM 1120 CD PRO A 79 -15.698 10.004 1.195 1.00 0.00 C ATOM 0 HA PRO A 79 -14.609 7.939 -0.930 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.724 10.684 -1.600 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.451 9.120 -1.915 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -17.395 10.656 0.048 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.301 8.919 0.261 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.515 11.060 1.396 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.036 9.556 2.129 1.00 0.00 H new ATOM 1128 N GLY A 80 -12.570 8.657 -2.009 1.00 0.00 N ATOM 1129 CA GLY A 80 -11.420 9.064 -2.794 1.00 0.00 C ATOM 1130 C GLY A 80 -10.136 9.072 -1.987 1.00 0.00 C ATOM 1131 O GLY A 80 -9.045 8.955 -2.544 1.00 0.00 O ATOM 0 H GLY A 80 -12.639 7.654 -1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.307 8.389 -3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.596 10.060 -3.200 1.00 0.00 H new ATOM 1135 N TYR A 81 -10.265 9.209 -0.670 1.00 0.00 N ATOM 1136 CA TYR A 81 -9.105 9.231 0.213 1.00 0.00 C ATOM 1137 C TYR A 81 -8.747 7.822 0.677 1.00 0.00 C ATOM 1138 O TYR A 81 -8.590 7.570 1.872 1.00 0.00 O ATOM 1139 CB TYR A 81 -9.377 10.129 1.423 1.00 0.00 C ATOM 1140 CG TYR A 81 -9.673 11.565 1.057 1.00 0.00 C ATOM 1141 CD1 TYR A 81 -10.934 11.944 0.613 1.00 0.00 C ATOM 1142 CD2 TYR A 81 -8.691 12.543 1.156 1.00 0.00 C ATOM 1143 CE1 TYR A 81 -11.208 13.256 0.278 1.00 0.00 C ATOM 1144 CE2 TYR A 81 -8.957 13.857 0.823 1.00 0.00 C ATOM 1145 CZ TYR A 81 -10.216 14.209 0.385 1.00 0.00 C ATOM 1146 OH TYR A 81 -10.486 15.517 0.052 1.00 0.00 O ATOM 0 H TYR A 81 -11.161 9.306 -0.192 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.260 9.634 -0.346 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.220 9.724 1.983 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.512 10.103 2.086 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.713 11.201 0.528 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -7.704 12.271 1.499 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.193 13.534 -0.066 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.182 14.605 0.905 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.682 16.061 0.184 1.00 0.00 H new ATOM 1156 N GLY A 82 -8.617 6.906 -0.278 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.278 5.534 0.052 1.00 0.00 C ATOM 1158 C GLY A 82 -8.220 4.643 -1.174 1.00 0.00 C ATOM 1159 O GLY A 82 -9.000 4.813 -2.110 1.00 0.00 O ATOM 0 H GLY A 82 -8.740 7.090 -1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.314 5.513 0.559 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.015 5.138 0.751 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.293 3.691 -1.167 1.00 0.00 N ATOM 1164 CA LEU A 83 -7.136 2.770 -2.287 1.00 0.00 C ATOM 1165 C LEU A 83 -6.431 1.492 -1.846 1.00 0.00 C ATOM 1166 O LEU A 83 -5.389 1.539 -1.194 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.349 3.437 -3.416 1.00 0.00 C ATOM 1168 CG LEU A 83 -6.434 2.729 -4.770 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.857 2.774 -5.306 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -5.469 3.360 -5.762 1.00 0.00 C ATOM 0 H LEU A 83 -6.640 3.537 -0.399 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.129 2.508 -2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.708 4.459 -3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.302 3.499 -3.121 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.152 1.685 -4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.899 2.266 -6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.526 2.277 -4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.167 3.812 -5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.543 2.844 -6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.721 4.412 -5.896 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.451 3.277 -5.382 1.00 0.00 H new ATOM 1182 N LEU A 84 -7.007 0.349 -2.208 1.00 0.00 N ATOM 1183 CA LEU A 84 -6.433 -0.943 -1.851 1.00 0.00 C ATOM 1184 C LEU A 84 -5.691 -1.554 -3.035 1.00 0.00 C ATOM 1185 O LEU A 84 -6.307 -2.044 -3.981 1.00 0.00 O ATOM 1186 CB LEU A 84 -7.532 -1.896 -1.369 1.00 0.00 C ATOM 1187 CG LEU A 84 -7.413 -2.333 0.092 1.00 0.00 C ATOM 1188 CD1 LEU A 84 -8.755 -2.824 0.611 1.00 0.00 C ATOM 1189 CD2 LEU A 84 -6.354 -3.414 0.238 1.00 0.00 C ATOM 0 H LEU A 84 -7.870 0.292 -2.748 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.719 -0.787 -1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.499 -1.413 -1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.524 -2.785 -2.000 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.109 -1.472 0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.652 -3.131 1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.488 -2.021 0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.088 -3.673 0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.282 -3.714 1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.629 -4.277 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.391 -3.027 -0.096 1.00 0.00 H new ATOM 1201 N VAL A 85 -4.364 -1.519 -2.976 1.00 0.00 N ATOM 1202 CA VAL A 85 -3.537 -2.068 -4.045 1.00 0.00 C ATOM 1203 C VAL A 85 -2.618 -3.166 -3.518 1.00 0.00 C ATOM 1204 O VAL A 85 -2.514 -3.376 -2.310 1.00 0.00 O ATOM 1205 CB VAL A 85 -2.681 -0.976 -4.711 1.00 0.00 C ATOM 1206 CG1 VAL A 85 -3.563 0.022 -5.445 1.00 0.00 C ATOM 1207 CG2 VAL A 85 -1.814 -0.273 -3.677 1.00 0.00 C ATOM 0 H VAL A 85 -3.838 -1.117 -2.200 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.216 -2.489 -4.786 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.025 -1.450 -5.441 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.939 0.786 -5.909 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.136 -0.496 -6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.247 0.492 -4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.216 0.496 -4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.450 0.188 -2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.154 -0.999 -3.202 1.00 0.00 H new ATOM 1217 N ARG A 86 -1.953 -3.862 -4.434 1.00 0.00 N ATOM 1218 CA ARG A 86 -1.041 -4.938 -4.063 1.00 0.00 C ATOM 1219 C ARG A 86 0.328 -4.381 -3.680 1.00 0.00 C ATOM 1220 O ARG A 86 0.659 -3.244 -4.013 1.00 0.00 O ATOM 1221 CB ARG A 86 -0.895 -5.934 -5.216 1.00 0.00 C ATOM 1222 CG ARG A 86 -2.217 -6.313 -5.864 1.00 0.00 C ATOM 1223 CD ARG A 86 -2.942 -7.382 -5.063 1.00 0.00 C ATOM 1224 NE ARG A 86 -2.706 -8.721 -5.598 1.00 0.00 N ATOM 1225 CZ ARG A 86 -3.140 -9.838 -5.020 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -3.832 -9.781 -3.888 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -2.882 -11.014 -5.573 1.00 0.00 N ATOM 0 H ARG A 86 -2.028 -3.700 -5.438 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.460 -5.454 -3.199 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.238 -5.506 -5.973 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.409 -6.837 -4.846 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.849 -5.429 -5.949 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.037 -6.674 -6.876 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.612 -7.343 -4.025 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.012 -7.174 -5.066 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.177 -8.804 -6.466 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.033 -8.878 -3.458 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.163 -10.640 -3.449 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.350 -11.063 -6.442 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.215 -11.870 -5.130 1.00 0.00 H new ATOM 1241 N PRO A 87 1.146 -5.179 -2.971 1.00 0.00 N ATOM 1242 CA PRO A 87 2.484 -4.759 -2.545 1.00 0.00 C ATOM 1243 C PRO A 87 3.317 -4.219 -3.702 1.00 0.00 C ATOM 1244 O PRO A 87 4.168 -3.349 -3.517 1.00 0.00 O ATOM 1245 CB PRO A 87 3.104 -6.044 -1.993 1.00 0.00 C ATOM 1246 CG PRO A 87 1.941 -6.872 -1.569 1.00 0.00 C ATOM 1247 CD PRO A 87 0.831 -6.551 -2.532 1.00 0.00 C ATOM 0 HA PRO A 87 2.443 -3.946 -1.820 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.698 -6.554 -2.751 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.768 -5.835 -1.154 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.187 -7.934 -1.597 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.649 -6.639 -0.545 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.813 -7.247 -3.371 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -0.146 -6.605 -2.052 1.00 0.00 H new ATOM 1255 N SER A 88 3.063 -4.741 -4.896 1.00 0.00 N ATOM 1256 CA SER A 88 3.787 -4.313 -6.088 1.00 0.00 C ATOM 1257 C SER A 88 3.553 -2.831 -6.363 1.00 0.00 C ATOM 1258 O SER A 88 4.406 -2.154 -6.938 1.00 0.00 O ATOM 1259 CB SER A 88 3.356 -5.143 -7.299 1.00 0.00 C ATOM 1260 OG SER A 88 1.986 -4.936 -7.598 1.00 0.00 O ATOM 0 H SER A 88 2.361 -5.461 -5.065 1.00 0.00 H new ATOM 0 HA SER A 88 4.851 -4.468 -5.911 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.964 -4.875 -8.163 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.532 -6.200 -7.101 1.00 0.00 H new ATOM 0 HG SER A 88 1.736 -5.476 -8.377 1.00 0.00 H new ATOM 1266 N ARG A 89 2.392 -2.332 -5.948 1.00 0.00 N ATOM 1267 CA ARG A 89 2.048 -0.929 -6.151 1.00 0.00 C ATOM 1268 C ARG A 89 2.328 -0.112 -4.894 1.00 0.00 C ATOM 1269 O ARG A 89 1.665 0.893 -4.634 1.00 0.00 O ATOM 1270 CB ARG A 89 0.574 -0.797 -6.541 1.00 0.00 C ATOM 1271 CG ARG A 89 0.281 -1.234 -7.967 1.00 0.00 C ATOM 1272 CD ARG A 89 0.385 -0.069 -8.938 1.00 0.00 C ATOM 1273 NE ARG A 89 -0.359 -0.317 -10.172 1.00 0.00 N ATOM 1274 CZ ARG A 89 -0.246 0.429 -11.269 1.00 0.00 C ATOM 1275 NH1 ARG A 89 0.579 1.469 -11.290 1.00 0.00 N ATOM 1276 NH2 ARG A 89 -0.958 0.134 -12.347 1.00 0.00 N ATOM 0 H ARG A 89 1.675 -2.878 -5.470 1.00 0.00 H new ATOM 0 HA ARG A 89 2.668 -0.541 -6.959 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.029 -1.393 -5.856 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.265 0.241 -6.417 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.980 -2.017 -8.260 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.719 -1.664 -8.019 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.006 0.835 -8.462 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.433 0.112 -9.177 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.002 -1.108 -10.194 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.130 1.700 -10.463 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.662 2.037 -12.133 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.593 -0.665 -12.336 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.872 0.705 -13.187 1.00 0.00 H new ATOM 1290 N VAL A 90 3.314 -0.547 -4.117 1.00 0.00 N ATOM 1291 CA VAL A 90 3.681 0.146 -2.888 1.00 0.00 C ATOM 1292 C VAL A 90 5.197 0.200 -2.720 1.00 0.00 C ATOM 1293 O VAL A 90 5.838 -0.814 -2.448 1.00 0.00 O ATOM 1294 CB VAL A 90 3.065 -0.534 -1.652 1.00 0.00 C ATOM 1295 CG1 VAL A 90 3.276 0.320 -0.411 1.00 0.00 C ATOM 1296 CG2 VAL A 90 1.585 -0.808 -1.875 1.00 0.00 C ATOM 0 H VAL A 90 3.873 -1.376 -4.317 1.00 0.00 H new ATOM 0 HA VAL A 90 3.289 1.160 -2.968 1.00 0.00 H new ATOM 0 HB VAL A 90 3.568 -1.488 -1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.834 -0.177 0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.344 0.459 -0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.802 1.291 -0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.167 -1.289 -0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.064 0.132 -2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.462 -1.464 -2.737 1.00 0.00 H new ATOM 1306 N ARG A 91 5.763 1.392 -2.888 1.00 0.00 N ATOM 1307 CA ARG A 91 7.203 1.579 -2.758 1.00 0.00 C ATOM 1308 C ARG A 91 7.523 2.596 -1.666 1.00 0.00 C ATOM 1309 O ARG A 91 6.656 3.358 -1.240 1.00 0.00 O ATOM 1310 CB ARG A 91 7.801 2.036 -4.089 1.00 0.00 C ATOM 1311 CG ARG A 91 7.777 0.963 -5.167 1.00 0.00 C ATOM 1312 CD ARG A 91 9.169 0.422 -5.456 1.00 0.00 C ATOM 1313 NE ARG A 91 9.392 -0.880 -4.831 1.00 0.00 N ATOM 1314 CZ ARG A 91 9.851 -1.043 -3.591 1.00 0.00 C ATOM 1315 NH1 ARG A 91 10.134 0.010 -2.834 1.00 0.00 N ATOM 1316 NH2 ARG A 91 10.025 -2.264 -3.106 1.00 0.00 N ATOM 0 H ARG A 91 5.246 2.242 -3.114 1.00 0.00 H new ATOM 0 HA ARG A 91 7.645 0.623 -2.479 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.252 2.908 -4.444 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.831 2.352 -3.926 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.128 0.146 -4.852 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.350 1.376 -6.081 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.307 0.335 -6.534 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.915 1.130 -5.095 1.00 0.00 H new ATOM 0 HE ARG A 91 9.183 -1.715 -5.378 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.000 0.952 -3.201 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.485 -0.123 -1.886 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.808 -3.077 -3.682 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.376 -2.390 -2.157 1.00 0.00 H new ATOM 1330 N ARG A 92 8.775 2.602 -1.219 1.00 0.00 N ATOM 1331 CA ARG A 92 9.210 3.525 -0.177 1.00 0.00 C ATOM 1332 C ARG A 92 9.106 4.970 -0.653 1.00 0.00 C ATOM 1333 O ARG A 92 9.581 5.314 -1.735 1.00 0.00 O ATOM 1334 CB ARG A 92 10.650 3.214 0.239 1.00 0.00 C ATOM 1335 CG ARG A 92 10.748 2.329 1.471 1.00 0.00 C ATOM 1336 CD ARG A 92 11.946 1.396 1.393 1.00 0.00 C ATOM 1337 NE ARG A 92 13.160 2.094 0.975 1.00 0.00 N ATOM 1338 CZ ARG A 92 14.264 1.478 0.558 1.00 0.00 C ATOM 1339 NH1 ARG A 92 14.311 0.153 0.503 1.00 0.00 N ATOM 1340 NH2 ARG A 92 15.322 2.189 0.196 1.00 0.00 N ATOM 0 H ARG A 92 9.506 1.978 -1.562 1.00 0.00 H new ATOM 0 HA ARG A 92 8.555 3.398 0.685 1.00 0.00 H new ATOM 0 HB2 ARG A 92 11.162 2.726 -0.590 1.00 0.00 H new ATOM 0 HB3 ARG A 92 11.174 4.150 0.431 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.828 2.952 2.362 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.835 1.743 1.573 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.110 0.935 2.367 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.732 0.590 0.691 1.00 0.00 H new ATOM 0 HE ARG A 92 13.162 3.114 1.005 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.499 -0.398 0.781 1.00 0.00 H new ATOM 0 HH12 ARG A 92 15.159 -0.314 0.183 1.00 0.00 H new ATOM 0 HH21 ARG A 92 15.290 3.208 0.237 1.00 0.00 H new ATOM 0 HH22 ARG A 92 16.168 1.718 -0.124 1.00 0.00 H new ATOM 1354 N ALA A 93 8.482 5.813 0.164 1.00 0.00 N ATOM 1355 CA ALA A 93 8.317 7.222 -0.172 1.00 0.00 C ATOM 1356 C ALA A 93 9.587 8.009 0.130 1.00 0.00 C ATOM 1357 O ALA A 93 9.666 8.719 1.132 1.00 0.00 O ATOM 1358 CB ALA A 93 7.136 7.809 0.586 1.00 0.00 C ATOM 0 H ALA A 93 8.083 5.544 1.063 1.00 0.00 H new ATOM 0 HA ALA A 93 8.121 7.296 -1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.024 8.862 0.326 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.227 7.270 0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.310 7.717 1.658 1.00 0.00 H new