USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 827 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 100 GLN : amide:sc= 0 X(o=0,f=0.42) USER MOD Set 1.2: A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 34:sc= 0.177 USER MOD Single : A 7 LYS NZ :NH3+ 153:sc= -1.72 (180deg=-2.66!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 17:sc= -0.372 USER MOD Single : A 26 THR OG1 : rot -39:sc= 0.286 USER MOD Single : A 27 GLN : amide:sc= -2.96! K(o=-3!,f=-0.97) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0114 USER MOD Single : A 35 LYS NZ :NH3+ -153:sc= -0.885 (180deg=-1.37) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -58:sc= 0.76 USER MOD Single : A 39 ASN : amide:sc= -0.0984 K(o=-0.098,f=-1.4!) USER MOD Single : A 42 ASN : amide:sc= -0.486 K(o=-0.49,f=-1.5!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -59:sc= 0.669 USER MOD Single : A 61 THR OG1 : rot 160:sc= 0.166 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 149:sc= 1.21 USER MOD Single : A 68 THR OG1 : rot -9:sc= 0.942 USER MOD Single : A 69 MET CE :methyl 149:sc= -0.243 (180deg=-1.28) USER MOD Single : A 72 ASN : amide:sc= -0.934 K(o=-0.93,f=-3.1!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= -0.223 (180deg=-0.223) USER MOD Single : A 83 ASN : amide:sc= -1.04 K(o=-1,f=-6.4!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 22:sc= 0.638 USER MOD Single : A 96 ASN : amide:sc= -0.0954 K(o=-0.095,f=-2!) USER MOD Single : A 101 THR OG1 : rot 160:sc= -1.74 USER MOD Single : A 103 THR OG1 : rot -150:sc= 0 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 160:sc= -0.151 (180deg=-0.52) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N PHE A 2 12.657 -11.063 4.786 1.00 0.00 N ATOM 14 CA PHE A 2 11.434 -10.419 5.223 1.00 0.00 C ATOM 15 C PHE A 2 11.453 -10.600 6.768 1.00 0.00 C ATOM 16 O PHE A 2 10.784 -11.475 7.305 1.00 0.00 O ATOM 17 CB PHE A 2 10.206 -11.115 4.671 1.00 0.00 C ATOM 18 CG PHE A 2 9.576 -10.424 3.472 1.00 0.00 C ATOM 19 CD1 PHE A 2 9.062 -9.154 3.443 1.00 0.00 C ATOM 20 CD2 PHE A 2 9.517 -11.141 2.297 1.00 0.00 C ATOM 21 CE1 PHE A 2 8.537 -8.716 2.235 1.00 0.00 C ATOM 22 CE2 PHE A 2 8.971 -10.613 1.152 1.00 0.00 C ATOM 23 CZ PHE A 2 8.504 -9.478 1.093 1.00 0.00 C ATOM 0 HA PHE A 2 11.388 -9.382 4.890 1.00 0.00 H new ATOM 0 HB2 PHE A 2 10.477 -12.132 4.388 1.00 0.00 H new ATOM 0 HB3 PHE A 2 9.461 -11.192 5.463 1.00 0.00 H new ATOM 0 HD1 PHE A 2 9.065 -8.523 4.320 1.00 0.00 H new ATOM 0 HD2 PHE A 2 9.911 -12.146 2.275 1.00 0.00 H new ATOM 0 HE1 PHE A 2 8.130 -7.716 2.191 1.00 0.00 H new ATOM 0 HE2 PHE A 2 8.951 -11.224 0.262 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.083 -9.093 0.176 1.00 0.00 H new ATOM 33 N ASP A 3 12.254 -9.729 7.432 1.00 0.00 N ATOM 34 CA ASP A 3 12.268 -9.905 8.864 1.00 0.00 C ATOM 35 C ASP A 3 12.957 -8.814 9.629 1.00 0.00 C ATOM 36 O ASP A 3 13.922 -9.185 10.318 1.00 0.00 O ATOM 37 CB ASP A 3 13.045 -11.227 9.111 1.00 0.00 C ATOM 38 CG ASP A 3 14.350 -11.315 8.340 1.00 0.00 C ATOM 39 OD1 ASP A 3 14.794 -10.334 7.755 1.00 0.00 O ATOM 40 OD2 ASP A 3 14.951 -12.402 8.305 1.00 0.00 O ATOM 0 H ASP A 3 12.830 -8.985 7.037 1.00 0.00 H new ATOM 0 HA ASP A 3 11.236 -9.903 9.215 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.254 -11.323 10.176 1.00 0.00 H new ATOM 0 HB3 ASP A 3 12.411 -12.069 8.834 1.00 0.00 H new ATOM 45 N GLY A 4 12.537 -7.543 9.549 1.00 0.00 N ATOM 46 CA GLY A 4 13.357 -6.658 10.375 1.00 0.00 C ATOM 47 C GLY A 4 12.964 -5.221 10.028 1.00 0.00 C ATOM 48 O GLY A 4 13.921 -4.495 9.808 1.00 0.00 O ATOM 0 H GLY A 4 11.763 -7.151 9.013 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.191 -6.857 11.434 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.417 -6.824 10.182 1.00 0.00 H new ATOM 52 N THR A 5 11.654 -5.000 10.019 1.00 0.00 N ATOM 53 CA THR A 5 11.192 -3.650 9.698 1.00 0.00 C ATOM 54 C THR A 5 11.656 -3.219 8.334 1.00 0.00 C ATOM 55 O THR A 5 12.559 -3.790 7.742 1.00 0.00 O ATOM 56 CB THR A 5 11.673 -2.646 10.761 1.00 0.00 C ATOM 57 OG1 THR A 5 13.011 -2.645 11.044 1.00 0.00 O ATOM 58 CG2 THR A 5 10.838 -2.753 12.069 1.00 0.00 C ATOM 0 H THR A 5 10.929 -5.690 10.217 1.00 0.00 H new ATOM 0 HA THR A 5 10.102 -3.668 9.694 1.00 0.00 H new ATOM 0 HB THR A 5 11.500 -1.682 10.283 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.517 -2.853 10.231 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.206 -2.029 12.796 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.790 -2.546 11.850 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.931 -3.759 12.479 1.00 0.00 H new ATOM 66 N TRP A 6 10.980 -2.157 7.821 1.00 0.00 N ATOM 67 CA TRP A 6 11.264 -1.614 6.544 1.00 0.00 C ATOM 68 C TRP A 6 10.812 -0.139 6.368 1.00 0.00 C ATOM 69 O TRP A 6 9.833 0.196 6.982 1.00 0.00 O ATOM 70 CB TRP A 6 10.446 -2.257 5.385 1.00 0.00 C ATOM 71 CG TRP A 6 10.580 -3.695 5.185 1.00 0.00 C ATOM 72 CD1 TRP A 6 10.489 -4.747 6.101 1.00 0.00 C ATOM 73 CD2 TRP A 6 10.850 -4.474 3.960 1.00 0.00 C ATOM 74 NE1 TRP A 6 10.676 -5.900 5.503 1.00 0.00 N ATOM 75 CE2 TRP A 6 10.915 -5.869 4.151 1.00 0.00 C ATOM 76 CE3 TRP A 6 11.061 -4.111 2.645 1.00 0.00 C ATOM 77 CZ2 TRP A 6 11.148 -6.786 3.205 1.00 0.00 C ATOM 78 CZ3 TRP A 6 11.308 -5.024 1.636 1.00 0.00 C ATOM 79 CH2 TRP A 6 11.352 -6.356 1.909 1.00 0.00 C ATOM 0 H TRP A 6 10.226 -1.679 8.315 1.00 0.00 H new ATOM 0 HA TRP A 6 12.341 -1.777 6.497 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.392 -2.038 5.555 1.00 0.00 H new ATOM 0 HB3 TRP A 6 10.729 -1.760 4.457 1.00 0.00 H new ATOM 0 HD1 TRP A 6 10.292 -4.627 7.156 1.00 0.00 H new ATOM 0 HE1 TRP A 6 10.645 -6.779 6.019 1.00 0.00 H new ATOM 0 HE3 TRP A 6 11.032 -3.062 2.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 11.176 -7.838 3.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 11.467 -4.678 0.625 1.00 0.00 H new ATOM 0 HH2 TRP A 6 11.544 -7.069 1.121 1.00 0.00 H new ATOM 90 N LYS A 7 11.507 0.648 5.560 1.00 0.00 N ATOM 91 CA LYS A 7 11.159 1.996 5.265 1.00 0.00 C ATOM 92 C LYS A 7 11.078 2.998 6.436 1.00 0.00 C ATOM 93 O LYS A 7 11.250 2.635 7.562 1.00 0.00 O ATOM 94 CB LYS A 7 9.693 2.016 4.695 1.00 0.00 C ATOM 95 CG LYS A 7 9.816 1.117 3.510 1.00 0.00 C ATOM 96 CD LYS A 7 8.567 1.050 2.634 1.00 0.00 C ATOM 97 CE LYS A 7 7.276 0.856 3.429 1.00 0.00 C ATOM 98 NZ LYS A 7 6.106 0.559 2.607 1.00 0.00 N ATOM 0 H LYS A 7 12.355 0.338 5.085 1.00 0.00 H new ATOM 0 HA LYS A 7 11.968 2.308 4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.968 1.643 5.418 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.376 3.021 4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.655 1.453 2.900 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.056 0.112 3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.491 1.968 2.052 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.674 0.230 1.924 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.420 0.045 4.142 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.080 1.758 4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.420 0.011 3.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.667 1.448 2.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.397 0.006 1.776 1.00 0.00 H new ATOM 112 N VAL A 8 10.762 4.165 5.877 1.00 0.00 N ATOM 113 CA VAL A 8 10.470 5.395 6.575 1.00 0.00 C ATOM 114 C VAL A 8 11.239 5.781 7.781 1.00 0.00 C ATOM 115 O VAL A 8 11.769 5.096 8.640 1.00 0.00 O ATOM 116 CB VAL A 8 8.955 5.158 6.892 1.00 0.00 C ATOM 117 CG1 VAL A 8 8.657 4.974 8.373 1.00 0.00 C ATOM 118 CG2 VAL A 8 8.006 6.291 6.529 1.00 0.00 C ATOM 0 H VAL A 8 10.702 4.273 4.864 1.00 0.00 H new ATOM 0 HA VAL A 8 10.754 6.250 5.961 1.00 0.00 H new ATOM 0 HB VAL A 8 8.785 4.270 6.282 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.588 4.815 8.512 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.204 4.110 8.750 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.965 5.865 8.920 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.987 6.011 6.795 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.289 7.191 7.074 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.062 6.483 5.457 1.00 0.00 H new ATOM 300 N LEU A 21 4.143 5.289 5.357 1.00 0.00 N ATOM 301 CA LEU A 21 3.936 3.969 5.973 1.00 0.00 C ATOM 302 C LEU A 21 5.369 3.438 6.251 1.00 0.00 C ATOM 303 O LEU A 21 6.264 4.207 5.931 1.00 0.00 O ATOM 304 CB LEU A 21 3.202 3.022 5.052 1.00 0.00 C ATOM 305 CG LEU A 21 3.216 3.320 3.555 1.00 0.00 C ATOM 306 CD1 LEU A 21 2.571 2.204 2.743 1.00 0.00 C ATOM 307 CD2 LEU A 21 2.438 4.618 3.246 1.00 0.00 C ATOM 0 HA LEU A 21 3.324 4.045 6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.619 2.025 5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.162 2.983 5.374 1.00 0.00 H new ATOM 0 HG LEU A 21 4.265 3.418 3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.604 2.459 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.113 1.273 2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.534 2.080 3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.462 4.810 2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.404 4.509 3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.899 5.453 3.774 1.00 0.00 H new ATOM 319 N LYS A 22 5.413 2.225 6.792 1.00 0.00 N ATOM 320 CA LYS A 22 6.635 1.536 7.127 1.00 0.00 C ATOM 321 C LYS A 22 6.211 0.052 6.863 1.00 0.00 C ATOM 322 O LYS A 22 5.101 -0.264 7.209 1.00 0.00 O ATOM 323 CB LYS A 22 6.909 1.435 8.658 1.00 0.00 C ATOM 324 CG LYS A 22 5.948 2.190 9.568 1.00 0.00 C ATOM 325 CD LYS A 22 6.363 2.262 11.021 1.00 0.00 C ATOM 326 CE LYS A 22 7.773 1.692 11.347 1.00 0.00 C ATOM 327 NZ LYS A 22 8.041 1.615 12.765 1.00 0.00 N ATOM 0 H LYS A 22 4.574 1.688 7.012 1.00 0.00 H new ATOM 0 HA LYS A 22 7.470 2.010 6.612 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.891 0.382 8.940 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.918 1.799 8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.834 3.205 9.188 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.968 1.716 9.509 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.330 3.304 11.338 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.626 1.724 11.618 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.865 0.697 10.912 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.529 2.318 10.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.994 1.228 12.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.983 2.566 13.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.339 0.995 13.218 1.00 0.00 H new ATOM 341 N LEU A 23 7.197 -0.608 6.290 1.00 0.00 N ATOM 342 CA LEU A 23 6.931 -2.017 6.007 1.00 0.00 C ATOM 343 C LEU A 23 7.629 -2.639 7.230 1.00 0.00 C ATOM 344 O LEU A 23 8.370 -1.836 7.790 1.00 0.00 O ATOM 345 CB LEU A 23 7.306 -2.491 4.648 1.00 0.00 C ATOM 346 CG LEU A 23 6.153 -2.493 3.621 1.00 0.00 C ATOM 347 CD1 LEU A 23 6.752 -2.531 2.197 1.00 0.00 C ATOM 348 CD2 LEU A 23 5.262 -3.692 3.661 1.00 0.00 C ATOM 0 H LEU A 23 8.112 -0.242 6.028 1.00 0.00 H new ATOM 0 HA LEU A 23 5.883 -2.302 5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.111 -1.861 4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.704 -3.503 4.728 1.00 0.00 H new ATOM 0 HG LEU A 23 5.573 -1.604 3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.946 -2.533 1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.381 -1.654 2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.352 -3.433 2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.486 -3.594 2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.850 -4.589 3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.799 -3.768 4.645 1.00 0.00 H new ATOM 360 N THR A 24 7.377 -3.885 7.547 1.00 0.00 N ATOM 361 CA THR A 24 7.957 -4.574 8.683 1.00 0.00 C ATOM 362 C THR A 24 7.234 -5.940 8.706 1.00 0.00 C ATOM 363 O THR A 24 6.214 -6.171 9.326 1.00 0.00 O ATOM 364 CB THR A 24 7.590 -3.828 9.966 1.00 0.00 C ATOM 365 OG1 THR A 24 8.189 -2.575 10.169 1.00 0.00 O ATOM 366 CG2 THR A 24 7.708 -4.711 11.211 1.00 0.00 C ATOM 0 H THR A 24 6.741 -4.471 7.006 1.00 0.00 H new ATOM 0 HA THR A 24 9.042 -4.652 8.614 1.00 0.00 H new ATOM 0 HB THR A 24 6.541 -3.585 9.799 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.551 -2.244 9.321 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.436 -4.133 12.094 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.038 -5.565 11.116 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.734 -5.065 11.310 1.00 0.00 H new ATOM 374 N ILE A 25 7.911 -6.784 7.958 1.00 0.00 N ATOM 375 CA ILE A 25 7.343 -8.108 7.890 1.00 0.00 C ATOM 376 C ILE A 25 8.218 -9.103 8.606 1.00 0.00 C ATOM 377 O ILE A 25 9.413 -8.848 8.679 1.00 0.00 O ATOM 378 CB ILE A 25 7.266 -8.348 6.351 1.00 0.00 C ATOM 379 CG1 ILE A 25 6.561 -7.219 5.605 1.00 0.00 C ATOM 380 CG2 ILE A 25 6.645 -9.711 6.015 1.00 0.00 C ATOM 381 CD1 ILE A 25 7.562 -6.146 5.113 1.00 0.00 C ATOM 0 H ILE A 25 8.769 -6.606 7.437 1.00 0.00 H new ATOM 0 HA ILE A 25 6.374 -8.216 8.376 1.00 0.00 H new ATOM 0 HB ILE A 25 8.297 -8.355 5.999 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.019 -7.629 4.753 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.823 -6.755 6.260 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.610 -9.838 4.933 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.250 -10.505 6.454 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.634 -9.760 6.419 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.022 -5.359 4.587 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.086 -5.718 5.968 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.284 -6.605 4.438 1.00 0.00 H new ATOM 393 N THR A 26 7.625 -10.177 9.107 1.00 0.00 N ATOM 394 CA THR A 26 8.515 -11.078 9.780 1.00 0.00 C ATOM 395 C THR A 26 7.802 -12.453 9.908 1.00 0.00 C ATOM 396 O THR A 26 7.267 -12.780 10.949 1.00 0.00 O ATOM 397 CB THR A 26 8.943 -10.615 11.159 1.00 0.00 C ATOM 398 OG1 THR A 26 9.242 -9.257 11.231 1.00 0.00 O ATOM 399 CG2 THR A 26 10.150 -11.482 11.569 1.00 0.00 C ATOM 0 H THR A 26 6.636 -10.422 9.066 1.00 0.00 H new ATOM 0 HA THR A 26 9.425 -11.134 9.183 1.00 0.00 H new ATOM 0 HB THR A 26 8.109 -10.740 11.849 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.715 -8.983 10.418 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.493 -11.183 12.559 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.854 -12.531 11.589 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.957 -11.346 10.849 1.00 0.00 H new ATOM 407 N GLN A 27 7.939 -13.061 8.718 1.00 0.00 N ATOM 408 CA GLN A 27 7.334 -14.386 8.645 1.00 0.00 C ATOM 409 C GLN A 27 7.814 -15.269 9.790 1.00 0.00 C ATOM 410 O GLN A 27 9.012 -15.420 9.911 1.00 0.00 O ATOM 411 CB GLN A 27 7.569 -14.952 7.243 1.00 0.00 C ATOM 412 CG GLN A 27 9.041 -15.191 6.926 1.00 0.00 C ATOM 413 CD GLN A 27 9.417 -14.994 5.476 1.00 0.00 C ATOM 414 OE1 GLN A 27 9.988 -15.878 4.864 1.00 0.00 O ATOM 415 NE2 GLN A 27 9.047 -13.784 5.028 1.00 0.00 N ATOM 0 H GLN A 27 8.408 -12.704 7.885 1.00 0.00 H new ATOM 0 HA GLN A 27 6.254 -14.336 8.785 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.026 -15.892 7.143 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.153 -14.264 6.507 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.644 -14.519 7.537 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.301 -16.208 7.219 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.571 -13.133 5.652 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.242 -13.516 4.063 1.00 0.00 H new ATOM 424 N GLU A 28 6.828 -15.778 10.539 1.00 0.00 N ATOM 425 CA GLU A 28 7.111 -16.648 11.690 1.00 0.00 C ATOM 426 C GLU A 28 6.467 -17.977 11.291 1.00 0.00 C ATOM 427 O GLU A 28 5.224 -17.987 11.248 1.00 0.00 O ATOM 428 CB GLU A 28 6.391 -15.997 12.850 1.00 0.00 C ATOM 429 CG GLU A 28 6.045 -16.928 14.018 1.00 0.00 C ATOM 430 CD GLU A 28 7.321 -17.079 14.838 1.00 0.00 C ATOM 431 OE1 GLU A 28 8.400 -17.126 14.255 1.00 0.00 O ATOM 432 OE2 GLU A 28 7.132 -17.129 16.039 1.00 0.00 O ATOM 0 H GLU A 28 5.837 -15.606 10.372 1.00 0.00 H new ATOM 0 HA GLU A 28 8.158 -16.795 11.956 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.009 -15.183 13.228 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.469 -15.551 12.478 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.241 -16.510 14.624 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.700 -17.896 13.655 1.00 0.00 H new ATOM 439 N GLY A 29 7.312 -18.979 11.032 1.00 0.00 N ATOM 440 CA GLY A 29 6.663 -20.244 10.648 1.00 0.00 C ATOM 441 C GLY A 29 6.199 -19.933 9.206 1.00 0.00 C ATOM 442 O GLY A 29 6.999 -19.742 8.330 1.00 0.00 O ATOM 0 H GLY A 29 8.331 -18.960 11.071 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.354 -21.086 10.683 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.827 -20.491 11.303 1.00 0.00 H new ATOM 446 N ASN A 30 4.855 -19.915 9.104 1.00 0.00 N ATOM 447 CA ASN A 30 4.111 -19.662 7.914 1.00 0.00 C ATOM 448 C ASN A 30 3.164 -18.475 8.205 1.00 0.00 C ATOM 449 O ASN A 30 1.946 -18.731 8.135 1.00 0.00 O ATOM 450 CB ASN A 30 3.234 -20.855 7.528 1.00 0.00 C ATOM 451 CG ASN A 30 4.008 -22.147 7.470 1.00 0.00 C ATOM 452 OD1 ASN A 30 4.629 -22.491 6.472 1.00 0.00 O ATOM 453 ND2 ASN A 30 3.959 -22.893 8.590 1.00 0.00 N ATOM 0 H ASN A 30 4.253 -20.089 9.909 1.00 0.00 H new ATOM 0 HA ASN A 30 4.811 -19.463 7.102 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.423 -20.954 8.249 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.776 -20.666 6.557 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.452 -23.785 8.631 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.429 -22.566 9.398 1.00 0.00 H new ATOM 460 N LYS A 31 3.735 -17.336 8.491 1.00 0.00 N ATOM 461 CA LYS A 31 2.817 -16.213 8.770 1.00 0.00 C ATOM 462 C LYS A 31 3.477 -15.147 7.904 1.00 0.00 C ATOM 463 O LYS A 31 4.640 -15.400 7.585 1.00 0.00 O ATOM 464 CB LYS A 31 2.700 -15.976 10.235 1.00 0.00 C ATOM 465 CG LYS A 31 2.746 -14.485 10.558 1.00 0.00 C ATOM 466 CD LYS A 31 1.352 -13.939 10.867 1.00 0.00 C ATOM 467 CE LYS A 31 0.983 -14.172 12.320 1.00 0.00 C ATOM 468 NZ LYS A 31 -0.223 -14.981 12.572 1.00 0.00 N ATOM 0 H LYS A 31 4.736 -17.145 8.541 1.00 0.00 H new ATOM 0 HA LYS A 31 1.760 -16.320 8.524 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.766 -16.402 10.601 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.509 -16.489 10.755 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.402 -14.316 11.412 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.173 -13.941 9.715 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.319 -12.872 10.647 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.618 -14.420 10.221 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.827 -14.655 12.813 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.848 -13.201 12.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.373 -15.071 13.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.048 -14.518 12.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.100 -15.926 12.156 1.00 0.00 H new ATOM 482 N PHE A 32 2.827 -14.058 7.544 1.00 0.00 N ATOM 483 CA PHE A 32 3.629 -13.139 6.714 1.00 0.00 C ATOM 484 C PHE A 32 2.856 -11.829 6.968 1.00 0.00 C ATOM 485 O PHE A 32 2.184 -11.415 6.074 1.00 0.00 O ATOM 486 CB PHE A 32 3.690 -13.619 5.300 1.00 0.00 C ATOM 487 CG PHE A 32 4.365 -12.593 4.417 1.00 0.00 C ATOM 488 CD1 PHE A 32 5.673 -12.236 4.396 1.00 0.00 C ATOM 489 CD2 PHE A 32 3.545 -11.919 3.508 1.00 0.00 C ATOM 490 CE1 PHE A 32 6.099 -11.254 3.495 1.00 0.00 C ATOM 491 CE2 PHE A 32 4.057 -10.963 2.661 1.00 0.00 C ATOM 492 CZ PHE A 32 5.228 -10.640 2.637 1.00 0.00 C ATOM 0 H PHE A 32 1.868 -13.794 7.769 1.00 0.00 H new ATOM 0 HA PHE A 32 4.690 -13.039 6.945 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.236 -14.562 5.254 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.682 -13.815 4.933 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.378 -12.704 5.067 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.491 -12.152 3.470 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.142 -10.974 3.476 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.379 -10.472 1.979 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.575 -9.882 1.951 1.00 0.00 H new ATOM 502 N THR A 33 3.080 -11.369 8.191 1.00 0.00 N ATOM 503 CA THR A 33 2.355 -10.131 8.439 1.00 0.00 C ATOM 504 C THR A 33 3.101 -9.108 7.625 1.00 0.00 C ATOM 505 O THR A 33 4.335 -9.143 7.600 1.00 0.00 O ATOM 506 CB THR A 33 2.278 -9.856 9.915 1.00 0.00 C ATOM 507 OG1 THR A 33 0.978 -10.095 10.440 1.00 0.00 O ATOM 508 CG2 THR A 33 2.530 -8.403 10.264 1.00 0.00 C ATOM 0 H THR A 33 3.665 -11.760 8.929 1.00 0.00 H new ATOM 0 HA THR A 33 1.307 -10.145 8.138 1.00 0.00 H new ATOM 0 HB THR A 33 3.037 -10.518 10.332 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.974 -9.906 11.402 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.460 -8.271 11.344 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.526 -8.115 9.927 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.785 -7.776 9.773 1.00 0.00 H new ATOM 516 N VAL A 34 2.295 -8.274 7.028 1.00 0.00 N ATOM 517 CA VAL A 34 2.957 -7.232 6.206 1.00 0.00 C ATOM 518 C VAL A 34 2.475 -5.975 6.874 1.00 0.00 C ATOM 519 O VAL A 34 1.336 -5.803 7.237 1.00 0.00 O ATOM 520 CB VAL A 34 2.463 -7.620 4.831 1.00 0.00 C ATOM 521 CG1 VAL A 34 1.611 -6.619 4.106 1.00 0.00 C ATOM 522 CG2 VAL A 34 3.637 -7.906 3.852 1.00 0.00 C ATOM 0 H VAL A 34 1.276 -8.265 7.068 1.00 0.00 H new ATOM 0 HA VAL A 34 4.037 -7.111 6.118 1.00 0.00 H new ATOM 0 HB VAL A 34 1.856 -8.493 5.071 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.325 -7.021 3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.715 -6.412 4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.174 -5.696 3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.238 -8.181 2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.254 -7.013 3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.243 -8.725 4.240 1.00 0.00 H new ATOM 532 N LYS A 35 3.502 -5.078 7.005 1.00 0.00 N ATOM 533 CA LYS A 35 3.233 -3.832 7.618 1.00 0.00 C ATOM 534 C LYS A 35 2.742 -2.655 6.834 1.00 0.00 C ATOM 535 O LYS A 35 2.772 -1.508 7.182 1.00 0.00 O ATOM 536 CB LYS A 35 4.472 -3.410 8.477 1.00 0.00 C ATOM 537 CG LYS A 35 4.090 -2.370 9.529 1.00 0.00 C ATOM 538 CD LYS A 35 4.969 -2.156 10.746 1.00 0.00 C ATOM 539 CE LYS A 35 4.124 -1.639 11.946 1.00 0.00 C ATOM 540 NZ LYS A 35 4.553 -0.313 12.346 1.00 0.00 N ATOM 0 H LYS A 35 4.463 -5.226 6.696 1.00 0.00 H new ATOM 0 HA LYS A 35 2.332 -4.073 8.181 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.894 -4.288 8.967 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.247 -3.005 7.827 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.006 -1.410 9.019 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.094 -2.627 9.891 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.460 -3.091 11.016 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.756 -1.439 10.512 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.069 -1.617 11.671 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.220 -2.326 12.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.342 -0.169 13.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.577 -0.217 12.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.048 0.400 11.782 1.00 0.00 H new ATOM 554 N GLU A 36 2.235 -2.998 5.636 1.00 0.00 N ATOM 555 CA GLU A 36 1.724 -2.033 4.700 1.00 0.00 C ATOM 556 C GLU A 36 0.747 -1.087 5.392 1.00 0.00 C ATOM 557 O GLU A 36 -0.458 -1.292 5.514 1.00 0.00 O ATOM 558 CB GLU A 36 0.909 -2.795 3.636 1.00 0.00 C ATOM 559 CG GLU A 36 -0.138 -3.804 4.151 1.00 0.00 C ATOM 560 CD GLU A 36 -0.897 -4.230 2.868 1.00 0.00 C ATOM 561 OE1 GLU A 36 -0.392 -5.010 2.073 1.00 0.00 O ATOM 562 OE2 GLU A 36 -2.020 -3.738 2.706 1.00 0.00 O ATOM 0 H GLU A 36 2.177 -3.962 5.307 1.00 0.00 H new ATOM 0 HA GLU A 36 2.558 -1.474 4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.397 -2.063 3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.607 -3.329 2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.334 -4.657 4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.808 -3.349 4.881 1.00 0.00 H new ATOM 569 N SER A 37 1.310 0.039 5.884 1.00 0.00 N ATOM 570 CA SER A 37 0.417 0.967 6.558 1.00 0.00 C ATOM 571 C SER A 37 -0.377 1.738 5.524 1.00 0.00 C ATOM 572 O SER A 37 0.160 1.877 4.425 1.00 0.00 O ATOM 573 CB SER A 37 1.308 1.799 7.463 1.00 0.00 C ATOM 574 OG SER A 37 0.725 3.055 7.717 1.00 0.00 O ATOM 0 H SER A 37 2.294 0.302 5.830 1.00 0.00 H new ATOM 0 HA SER A 37 -0.346 0.495 7.178 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.473 1.272 8.403 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.284 1.933 6.997 1.00 0.00 H new ATOM 0 HG SER A 37 1.313 3.576 8.303 1.00 0.00 H new ATOM 580 N SER A 38 -1.594 2.205 5.885 1.00 0.00 N ATOM 581 CA SER A 38 -2.302 2.932 4.846 1.00 0.00 C ATOM 582 C SER A 38 -3.612 3.567 5.254 1.00 0.00 C ATOM 583 O SER A 38 -4.597 2.839 5.355 1.00 0.00 O ATOM 584 CB SER A 38 -2.573 1.876 3.730 1.00 0.00 C ATOM 585 OG SER A 38 -3.803 2.076 3.065 1.00 0.00 O ATOM 0 H SER A 38 -2.055 2.102 6.789 1.00 0.00 H new ATOM 0 HA SER A 38 -1.685 3.778 4.544 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.763 1.910 3.001 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.563 0.879 4.171 1.00 0.00 H new ATOM 0 HG SER A 38 -4.535 2.053 3.717 1.00 0.00 H new ATOM 591 N ASN A 39 -3.501 4.884 5.460 1.00 0.00 N ATOM 592 CA ASN A 39 -4.686 5.642 5.857 1.00 0.00 C ATOM 593 C ASN A 39 -5.245 5.140 7.175 1.00 0.00 C ATOM 594 O ASN A 39 -4.940 5.690 8.227 1.00 0.00 O ATOM 595 CB ASN A 39 -5.702 5.449 4.732 1.00 0.00 C ATOM 596 CG ASN A 39 -5.623 6.612 3.738 1.00 0.00 C ATOM 597 OD1 ASN A 39 -4.751 7.476 3.768 1.00 0.00 O ATOM 598 ND2 ASN A 39 -6.637 6.537 2.860 1.00 0.00 N ATOM 0 H ASN A 39 -2.642 5.426 5.363 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.446 6.695 6.007 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.510 4.508 4.217 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.707 5.385 5.148 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.733 7.243 2.130 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.311 5.774 2.923 1.00 0.00 H new ATOM 605 N PHE A 40 -6.069 4.081 7.032 1.00 0.00 N ATOM 606 CA PHE A 40 -6.631 3.563 8.249 1.00 0.00 C ATOM 607 C PHE A 40 -5.599 2.698 9.001 1.00 0.00 C ATOM 608 O PHE A 40 -5.532 1.513 8.737 1.00 0.00 O ATOM 609 CB PHE A 40 -7.897 2.750 7.912 1.00 0.00 C ATOM 610 CG PHE A 40 -9.117 3.507 8.296 1.00 0.00 C ATOM 611 CD1 PHE A 40 -9.702 4.433 7.486 1.00 0.00 C ATOM 612 CD2 PHE A 40 -9.727 3.310 9.515 1.00 0.00 C ATOM 613 CE1 PHE A 40 -10.845 5.108 7.907 1.00 0.00 C ATOM 614 CE2 PHE A 40 -10.852 4.022 9.847 1.00 0.00 C ATOM 615 CZ PHE A 40 -11.377 4.839 9.142 1.00 0.00 C ATOM 0 H PHE A 40 -6.330 3.618 6.162 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.903 4.390 8.905 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.920 2.527 6.845 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -7.874 1.795 8.437 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -9.278 4.644 6.515 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.319 2.593 10.212 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.310 5.840 7.264 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.297 3.833 10.813 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.262 5.359 9.478 1.00 0.00 H new ATOM 625 N ARG A 41 -4.889 3.406 9.875 1.00 0.00 N ATOM 626 CA ARG A 41 -3.859 2.873 10.712 1.00 0.00 C ATOM 627 C ARG A 41 -2.760 2.098 9.997 1.00 0.00 C ATOM 628 O ARG A 41 -2.630 2.295 8.783 1.00 0.00 O ATOM 629 CB ARG A 41 -4.523 1.908 11.725 1.00 0.00 C ATOM 630 CG ARG A 41 -5.872 2.410 12.228 1.00 0.00 C ATOM 631 CD ARG A 41 -7.136 1.647 11.766 1.00 0.00 C ATOM 632 NE ARG A 41 -8.116 1.850 12.823 1.00 0.00 N ATOM 633 CZ ARG A 41 -8.515 0.858 13.648 1.00 0.00 C ATOM 634 NH1 ARG A 41 -8.071 -0.392 13.597 1.00 0.00 N ATOM 635 NH2 ARG A 41 -9.419 1.194 14.566 1.00 0.00 N ATOM 0 H ARG A 41 -5.034 4.406 10.012 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.373 3.736 11.167 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.656 0.933 11.256 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.855 1.765 12.574 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.851 2.397 13.318 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.978 3.451 11.924 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.500 2.031 10.813 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.925 0.587 11.623 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.518 2.779 12.946 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.378 -0.659 12.898 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.422 -1.085 14.257 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.766 2.152 14.613 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.764 0.493 15.222 1.00 0.00 H new ATOM 649 N ASN A 42 -2.034 1.275 10.762 1.00 0.00 N ATOM 650 CA ASN A 42 -0.982 0.523 10.108 1.00 0.00 C ATOM 651 C ASN A 42 -1.561 -0.846 9.680 1.00 0.00 C ATOM 652 O ASN A 42 -0.878 -1.577 8.986 1.00 0.00 O ATOM 653 CB ASN A 42 0.268 0.387 10.965 1.00 0.00 C ATOM 654 CG ASN A 42 0.337 1.472 12.056 1.00 0.00 C ATOM 655 OD1 ASN A 42 -0.097 2.614 12.008 1.00 0.00 O ATOM 656 ND2 ASN A 42 0.969 0.976 13.128 1.00 0.00 N ATOM 0 H ASN A 42 -2.148 1.124 11.764 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.648 1.068 9.225 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.283 -0.598 11.431 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.152 0.453 10.331 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.106 1.559 13.954 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.313 0.016 13.118 1.00 0.00 H new ATOM 663 N ILE A 43 -2.773 -0.965 10.188 1.00 0.00 N ATOM 664 CA ILE A 43 -3.604 -2.139 9.971 1.00 0.00 C ATOM 665 C ILE A 43 -2.833 -3.262 9.372 1.00 0.00 C ATOM 666 O ILE A 43 -2.635 -3.518 8.203 1.00 0.00 O ATOM 667 CB ILE A 43 -4.741 -1.656 9.043 1.00 0.00 C ATOM 668 CG1 ILE A 43 -5.706 -2.758 8.682 1.00 0.00 C ATOM 669 CG2 ILE A 43 -4.129 -1.199 7.694 1.00 0.00 C ATOM 670 CD1 ILE A 43 -6.444 -3.364 9.882 1.00 0.00 C ATOM 0 H ILE A 43 -3.213 -0.248 10.765 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.992 -2.539 10.908 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.261 -0.864 9.582 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.440 -2.367 7.978 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.161 -3.549 8.167 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.924 -0.856 7.032 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.427 -0.384 7.870 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.606 -2.035 7.230 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.118 -4.148 9.537 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.720 -3.788 10.578 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.019 -2.587 10.385 1.00 0.00 H new ATOM 682 N ASP A 44 -2.291 -4.091 10.317 1.00 0.00 N ATOM 683 CA ASP A 44 -1.509 -5.223 9.922 1.00 0.00 C ATOM 684 C ASP A 44 -2.329 -6.190 9.104 1.00 0.00 C ATOM 685 O ASP A 44 -3.358 -6.647 9.576 1.00 0.00 O ATOM 686 CB ASP A 44 -0.984 -6.050 11.123 1.00 0.00 C ATOM 687 CG ASP A 44 -0.445 -5.204 12.249 1.00 0.00 C ATOM 688 OD1 ASP A 44 -1.209 -4.666 13.068 1.00 0.00 O ATOM 689 OD2 ASP A 44 0.786 -5.082 12.310 1.00 0.00 O ATOM 0 H ASP A 44 -2.398 -3.970 11.324 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.678 -4.798 9.359 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.792 -6.675 11.504 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.198 -6.721 10.776 1.00 0.00 H new ATOM 694 N VAL A 45 -1.760 -6.405 7.921 1.00 0.00 N ATOM 695 CA VAL A 45 -2.470 -7.347 7.024 1.00 0.00 C ATOM 696 C VAL A 45 -1.844 -8.684 7.488 1.00 0.00 C ATOM 697 O VAL A 45 -0.701 -8.906 7.148 1.00 0.00 O ATOM 698 CB VAL A 45 -2.268 -6.952 5.607 1.00 0.00 C ATOM 699 CG1 VAL A 45 -2.719 -8.031 4.593 1.00 0.00 C ATOM 700 CG2 VAL A 45 -3.138 -5.743 5.187 1.00 0.00 C ATOM 0 H VAL A 45 -0.895 -5.992 7.573 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.558 -7.387 7.076 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.196 -6.755 5.577 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.542 -7.674 3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.152 -8.947 4.760 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.782 -8.234 4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.946 -5.502 4.141 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.192 -5.991 5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.890 -4.883 5.809 1.00 0.00 H new ATOM 710 N VAL A 46 -2.641 -9.468 8.225 1.00 0.00 N ATOM 711 CA VAL A 46 -2.050 -10.723 8.666 1.00 0.00 C ATOM 712 C VAL A 46 -2.753 -11.957 8.141 1.00 0.00 C ATOM 713 O VAL A 46 -3.947 -11.854 7.852 1.00 0.00 O ATOM 714 CB VAL A 46 -2.319 -10.710 10.180 1.00 0.00 C ATOM 715 CG1 VAL A 46 -3.802 -10.825 10.548 1.00 0.00 C ATOM 716 CG2 VAL A 46 -1.758 -11.950 10.870 1.00 0.00 C ATOM 0 H VAL A 46 -3.604 -9.279 8.504 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.013 -10.778 8.334 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.871 -9.765 10.488 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.910 -10.809 11.633 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.350 -9.988 10.116 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.202 -11.761 10.158 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.970 -11.900 11.938 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.222 -12.842 10.449 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.680 -11.996 10.716 1.00 0.00 H new ATOM 726 N PHE A 47 -1.897 -12.982 8.081 1.00 0.00 N ATOM 727 CA PHE A 47 -2.490 -14.180 7.577 1.00 0.00 C ATOM 728 C PHE A 47 -1.483 -15.318 7.544 1.00 0.00 C ATOM 729 O PHE A 47 -0.436 -15.158 8.186 1.00 0.00 O ATOM 730 CB PHE A 47 -2.923 -13.943 6.103 1.00 0.00 C ATOM 731 CG PHE A 47 -1.893 -13.006 5.473 1.00 0.00 C ATOM 732 CD1 PHE A 47 -1.928 -11.630 5.454 1.00 0.00 C ATOM 733 CD2 PHE A 47 -0.802 -13.614 4.867 1.00 0.00 C ATOM 734 CE1 PHE A 47 -0.911 -10.920 4.851 1.00 0.00 C ATOM 735 CE2 PHE A 47 0.183 -12.856 4.284 1.00 0.00 C ATOM 736 CZ PHE A 47 0.031 -11.485 4.334 1.00 0.00 C ATOM 0 H PHE A 47 -0.912 -13.000 8.344 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.329 -14.434 8.225 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.968 -14.886 5.559 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.919 -13.503 6.061 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.753 -11.105 5.912 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.728 -14.691 4.854 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.953 -9.841 4.838 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.038 -13.312 3.808 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.800 -10.875 3.884 1.00 0.00 H new ATOM 746 N GLU A 48 -1.777 -16.417 6.839 1.00 0.00 N ATOM 747 CA GLU A 48 -0.790 -17.458 6.832 1.00 0.00 C ATOM 748 C GLU A 48 -0.467 -17.830 5.349 1.00 0.00 C ATOM 749 O GLU A 48 -0.873 -18.872 4.889 1.00 0.00 O ATOM 750 CB GLU A 48 -1.406 -18.674 7.536 1.00 0.00 C ATOM 751 CG GLU A 48 -1.406 -18.615 9.048 1.00 0.00 C ATOM 752 CD GLU A 48 -2.387 -19.590 9.692 1.00 0.00 C ATOM 753 OE1 GLU A 48 -2.648 -20.600 9.041 1.00 0.00 O ATOM 754 OE2 GLU A 48 -2.892 -19.397 10.776 1.00 0.00 O ATOM 0 H GLU A 48 -2.631 -16.588 6.307 1.00 0.00 H new ATOM 0 HA GLU A 48 0.124 -17.142 7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.434 -18.789 7.193 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.864 -19.567 7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.401 -18.828 9.413 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.652 -17.601 9.365 1.00 0.00 H new ATOM 761 N LEU A 49 0.264 -16.842 4.833 1.00 0.00 N ATOM 762 CA LEU A 49 0.767 -16.805 3.481 1.00 0.00 C ATOM 763 C LEU A 49 -0.349 -16.616 2.474 1.00 0.00 C ATOM 764 O LEU A 49 -0.624 -15.574 1.950 1.00 0.00 O ATOM 765 CB LEU A 49 1.594 -18.089 3.284 1.00 0.00 C ATOM 766 CG LEU A 49 2.755 -17.985 2.324 1.00 0.00 C ATOM 767 CD1 LEU A 49 2.600 -18.674 0.953 1.00 0.00 C ATOM 768 CD2 LEU A 49 3.127 -16.542 1.868 1.00 0.00 C ATOM 0 H LEU A 49 0.526 -16.019 5.375 1.00 0.00 H new ATOM 0 HA LEU A 49 1.411 -15.942 3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.977 -18.404 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.928 -18.877 2.934 1.00 0.00 H new ATOM 0 HG LEU A 49 3.494 -18.466 2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.505 -18.521 0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.438 -19.742 1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.747 -18.247 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.972 -16.584 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.273 -16.088 1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.396 -15.943 2.738 1.00 0.00 H new ATOM 780 N GLY A 50 -1.037 -17.709 2.190 1.00 0.00 N ATOM 781 CA GLY A 50 -2.140 -17.646 1.226 1.00 0.00 C ATOM 782 C GLY A 50 -3.334 -18.278 1.959 1.00 0.00 C ATOM 783 O GLY A 50 -3.527 -19.456 1.736 1.00 0.00 O ATOM 0 H GLY A 50 -0.865 -18.629 2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.353 -16.618 0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.901 -18.193 0.314 1.00 0.00 H new ATOM 787 N VAL A 51 -3.974 -17.420 2.734 1.00 0.00 N ATOM 788 CA VAL A 51 -5.126 -17.764 3.535 1.00 0.00 C ATOM 789 C VAL A 51 -6.423 -17.442 2.817 1.00 0.00 C ATOM 790 O VAL A 51 -7.352 -18.225 2.884 1.00 0.00 O ATOM 791 CB VAL A 51 -5.082 -17.115 4.927 1.00 0.00 C ATOM 792 CG1 VAL A 51 -5.563 -15.684 4.966 1.00 0.00 C ATOM 793 CG2 VAL A 51 -6.041 -17.815 5.929 1.00 0.00 C ATOM 0 H VAL A 51 -3.697 -16.442 2.823 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.090 -18.843 3.686 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.026 -17.197 5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.498 -15.306 5.986 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.941 -15.073 4.312 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.598 -15.639 4.628 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.976 -17.322 6.899 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.064 -17.752 5.558 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.757 -18.862 6.034 1.00 0.00 H new ATOM 803 N ASP A 52 -6.263 -16.257 2.197 1.00 0.00 N ATOM 804 CA ASP A 52 -7.400 -15.757 1.439 1.00 0.00 C ATOM 805 C ASP A 52 -8.491 -15.302 2.439 1.00 0.00 C ATOM 806 O ASP A 52 -8.933 -16.035 3.296 1.00 0.00 O ATOM 807 CB ASP A 52 -7.915 -16.729 0.383 1.00 0.00 C ATOM 808 CG ASP A 52 -6.889 -17.774 -0.029 1.00 0.00 C ATOM 809 OD1 ASP A 52 -5.745 -17.443 -0.273 1.00 0.00 O ATOM 810 OD2 ASP A 52 -7.224 -18.958 -0.115 1.00 0.00 O ATOM 0 H ASP A 52 -5.425 -15.676 2.206 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.075 -14.901 0.848 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.802 -17.233 0.766 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.223 -16.166 -0.498 1.00 0.00 H new ATOM 815 N PHE A 53 -8.836 -14.021 2.190 1.00 0.00 N ATOM 816 CA PHE A 53 -9.841 -13.549 3.081 1.00 0.00 C ATOM 817 C PHE A 53 -10.497 -12.237 2.686 1.00 0.00 C ATOM 818 O PHE A 53 -9.838 -11.324 2.209 1.00 0.00 O ATOM 819 CB PHE A 53 -9.214 -13.279 4.466 1.00 0.00 C ATOM 820 CG PHE A 53 -8.219 -12.130 4.380 1.00 0.00 C ATOM 821 CD1 PHE A 53 -7.093 -12.254 3.602 1.00 0.00 C ATOM 822 CD2 PHE A 53 -8.310 -10.917 5.024 1.00 0.00 C ATOM 823 CE1 PHE A 53 -6.171 -11.211 3.515 1.00 0.00 C ATOM 824 CE2 PHE A 53 -7.379 -9.928 4.907 1.00 0.00 C ATOM 825 CZ PHE A 53 -6.285 -10.149 4.101 1.00 0.00 C ATOM 0 H PHE A 53 -8.476 -13.390 1.474 1.00 0.00 H new ATOM 0 HA PHE A 53 -10.597 -14.334 3.069 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.996 -13.039 5.186 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.713 -14.177 4.827 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.920 -13.168 3.053 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.167 -10.739 5.657 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.302 -11.354 2.889 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.497 -8.993 5.434 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.531 -9.384 3.989 1.00 0.00 H new ATOM 835 N ALA A 54 -11.819 -12.140 2.893 1.00 0.00 N ATOM 836 CA ALA A 54 -12.541 -10.899 2.547 1.00 0.00 C ATOM 837 C ALA A 54 -12.442 -10.120 3.887 1.00 0.00 C ATOM 838 O ALA A 54 -12.371 -10.817 4.875 1.00 0.00 O ATOM 839 CB ALA A 54 -13.963 -11.149 2.138 1.00 0.00 C ATOM 0 H ALA A 54 -12.399 -12.881 3.287 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.129 -10.372 1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.444 -10.201 1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.981 -11.799 1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -14.498 -11.628 2.958 1.00 0.00 H new ATOM 845 N TYR A 55 -12.442 -8.779 3.835 1.00 0.00 N ATOM 846 CA TYR A 55 -12.347 -8.170 5.171 1.00 0.00 C ATOM 847 C TYR A 55 -12.584 -6.682 5.077 1.00 0.00 C ATOM 848 O TYR A 55 -12.062 -6.008 4.216 1.00 0.00 O ATOM 849 CB TYR A 55 -11.023 -8.527 5.831 1.00 0.00 C ATOM 850 CG TYR A 55 -11.091 -8.901 7.299 1.00 0.00 C ATOM 851 CD1 TYR A 55 -12.096 -9.655 7.816 1.00 0.00 C ATOM 852 CD2 TYR A 55 -10.105 -8.481 8.198 1.00 0.00 C ATOM 853 CE1 TYR A 55 -12.158 -9.993 9.154 1.00 0.00 C ATOM 854 CE2 TYR A 55 -10.271 -8.886 9.518 1.00 0.00 C ATOM 855 CZ TYR A 55 -11.329 -9.651 9.960 1.00 0.00 C ATOM 856 OH TYR A 55 -11.399 -9.990 11.291 1.00 0.00 O ATOM 0 H TYR A 55 -12.497 -8.171 3.018 1.00 0.00 H new ATOM 0 HA TYR A 55 -13.127 -8.575 5.816 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -10.580 -9.360 5.285 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.346 -7.679 5.723 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -12.876 -10.003 7.156 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.265 -7.878 7.886 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -12.989 -10.593 9.495 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.527 -8.583 10.240 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.629 -9.613 11.766 1.00 0.00 H new ATOM 866 N SER A 56 -13.409 -6.252 6.035 1.00 0.00 N ATOM 867 CA SER A 56 -13.691 -4.810 6.016 1.00 0.00 C ATOM 868 C SER A 56 -12.611 -4.176 6.931 1.00 0.00 C ATOM 869 O SER A 56 -12.928 -4.110 8.133 1.00 0.00 O ATOM 870 CB SER A 56 -15.102 -4.694 6.564 1.00 0.00 C ATOM 871 OG SER A 56 -15.331 -3.523 7.309 1.00 0.00 O ATOM 0 H SER A 56 -13.854 -6.810 6.764 1.00 0.00 H new ATOM 0 HA SER A 56 -13.650 -4.311 5.048 1.00 0.00 H new ATOM 0 HB2 SER A 56 -15.807 -4.728 5.734 1.00 0.00 H new ATOM 0 HB3 SER A 56 -15.309 -5.559 7.194 1.00 0.00 H new ATOM 0 HG SER A 56 -14.709 -3.490 8.066 1.00 0.00 H new ATOM 877 N LEU A 57 -11.492 -3.786 6.328 1.00 0.00 N ATOM 878 CA LEU A 57 -10.381 -3.181 7.034 1.00 0.00 C ATOM 879 C LEU A 57 -10.670 -1.777 7.577 1.00 0.00 C ATOM 880 O LEU A 57 -11.232 -1.689 8.666 1.00 0.00 O ATOM 881 CB LEU A 57 -9.087 -3.206 6.209 1.00 0.00 C ATOM 882 CG LEU A 57 -8.288 -4.505 6.413 1.00 0.00 C ATOM 883 CD1 LEU A 57 -9.099 -5.638 5.826 1.00 0.00 C ATOM 884 CD2 LEU A 57 -6.991 -4.511 5.627 1.00 0.00 C ATOM 0 H LEU A 57 -11.335 -3.885 5.325 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.234 -3.811 7.911 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.330 -3.094 5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.466 -2.353 6.485 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.082 -4.598 7.479 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.559 -6.576 5.954 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.060 -5.700 6.336 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.263 -5.456 4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.463 -5.448 5.804 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.209 -4.412 4.564 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.367 -3.677 5.948 1.00 0.00 H new ATOM 896 N ALA A 58 -10.270 -0.768 6.807 1.00 0.00 N ATOM 897 CA ALA A 58 -10.490 0.598 7.217 1.00 0.00 C ATOM 898 C ALA A 58 -11.878 0.927 7.731 1.00 0.00 C ATOM 899 O ALA A 58 -12.062 0.927 8.946 1.00 0.00 O ATOM 900 CB ALA A 58 -10.191 1.487 6.004 1.00 0.00 C ATOM 0 H ALA A 58 -9.799 -0.877 5.909 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.833 0.771 8.069 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.346 2.532 6.272 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.157 1.342 5.692 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.858 1.220 5.184 1.00 0.00 H new ATOM 906 N ASP A 59 -12.830 1.206 6.798 1.00 0.00 N ATOM 907 CA ASP A 59 -14.188 1.532 7.181 1.00 0.00 C ATOM 908 C ASP A 59 -15.220 0.755 6.394 1.00 0.00 C ATOM 909 O ASP A 59 -16.396 1.089 6.403 1.00 0.00 O ATOM 910 CB ASP A 59 -14.507 3.031 6.953 1.00 0.00 C ATOM 911 CG ASP A 59 -15.667 3.442 7.825 1.00 0.00 C ATOM 912 OD1 ASP A 59 -15.911 2.866 8.869 1.00 0.00 O ATOM 913 OD2 ASP A 59 -16.351 4.391 7.442 1.00 0.00 O ATOM 0 H ASP A 59 -12.662 1.206 5.792 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.244 1.273 8.238 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.632 3.638 7.185 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.748 3.206 5.904 1.00 0.00 H new ATOM 918 N GLY A 60 -14.729 -0.304 5.703 1.00 0.00 N ATOM 919 CA GLY A 60 -15.607 -1.135 4.908 1.00 0.00 C ATOM 920 C GLY A 60 -14.912 -1.278 3.537 1.00 0.00 C ATOM 921 O GLY A 60 -15.529 -0.896 2.561 1.00 0.00 O ATOM 0 H GLY A 60 -13.748 -0.582 5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.756 -2.108 5.376 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.591 -0.678 4.803 1.00 0.00 H new ATOM 925 N THR A 61 -13.705 -1.819 3.665 1.00 0.00 N ATOM 926 CA THR A 61 -12.863 -2.053 2.540 1.00 0.00 C ATOM 927 C THR A 61 -13.474 -3.150 1.637 1.00 0.00 C ATOM 928 O THR A 61 -13.740 -2.826 0.490 1.00 0.00 O ATOM 929 CB THR A 61 -11.411 -2.444 2.895 1.00 0.00 C ATOM 930 OG1 THR A 61 -11.351 -3.653 3.573 1.00 0.00 O ATOM 931 CG2 THR A 61 -10.694 -1.303 3.629 1.00 0.00 C ATOM 0 H THR A 61 -13.301 -2.101 4.558 1.00 0.00 H new ATOM 0 HA THR A 61 -12.808 -1.098 2.018 1.00 0.00 H new ATOM 0 HB THR A 61 -10.868 -2.602 1.963 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.447 -4.024 3.500 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.674 -1.607 3.866 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.670 -0.419 2.992 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.227 -1.072 4.551 1.00 0.00 H new ATOM 939 N GLU A 62 -13.662 -4.359 2.162 1.00 0.00 N ATOM 940 CA GLU A 62 -14.230 -5.409 1.329 1.00 0.00 C ATOM 941 C GLU A 62 -13.233 -5.735 0.207 1.00 0.00 C ATOM 942 O GLU A 62 -13.617 -5.829 -0.944 1.00 0.00 O ATOM 943 CB GLU A 62 -15.585 -5.017 0.775 1.00 0.00 C ATOM 944 CG GLU A 62 -16.655 -4.619 1.795 1.00 0.00 C ATOM 945 CD GLU A 62 -17.472 -5.904 2.025 1.00 0.00 C ATOM 946 OE1 GLU A 62 -16.910 -6.995 2.028 1.00 0.00 O ATOM 947 OE2 GLU A 62 -18.677 -5.811 2.182 1.00 0.00 O ATOM 0 H GLU A 62 -13.439 -4.627 3.121 1.00 0.00 H new ATOM 0 HA GLU A 62 -14.398 -6.299 1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.443 -4.183 0.087 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.968 -5.852 0.189 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.206 -4.264 2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.283 -3.813 1.416 1.00 0.00 H new ATOM 954 N LEU A 63 -11.982 -5.881 0.668 1.00 0.00 N ATOM 955 CA LEU A 63 -10.927 -6.192 -0.274 1.00 0.00 C ATOM 956 C LEU A 63 -10.662 -7.686 -0.192 1.00 0.00 C ATOM 957 O LEU A 63 -9.813 -8.228 0.465 1.00 0.00 O ATOM 958 CB LEU A 63 -9.674 -5.414 0.125 1.00 0.00 C ATOM 959 CG LEU A 63 -9.493 -4.161 -0.757 1.00 0.00 C ATOM 960 CD1 LEU A 63 -10.616 -3.160 -0.558 1.00 0.00 C ATOM 961 CD2 LEU A 63 -8.175 -3.455 -0.493 1.00 0.00 C ATOM 0 H LEU A 63 -11.696 -5.792 1.643 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.207 -5.919 -1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.744 -5.118 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.799 -6.057 0.033 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.506 -4.527 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.449 -2.294 -1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.567 -3.624 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.640 -2.842 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.095 -2.580 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.133 -3.142 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.350 -4.136 -0.701 1.00 0.00 H new ATOM 973 N THR A 64 -11.512 -8.373 -0.957 1.00 0.00 N ATOM 974 CA THR A 64 -11.472 -9.796 -1.044 1.00 0.00 C ATOM 975 C THR A 64 -10.212 -10.249 -1.803 1.00 0.00 C ATOM 976 O THR A 64 -10.141 -10.117 -3.011 1.00 0.00 O ATOM 977 CB THR A 64 -12.704 -10.312 -1.808 1.00 0.00 C ATOM 978 OG1 THR A 64 -13.897 -9.769 -1.296 1.00 0.00 O ATOM 979 CG2 THR A 64 -12.816 -11.803 -1.710 1.00 0.00 C ATOM 0 H THR A 64 -12.240 -7.940 -1.525 1.00 0.00 H new ATOM 0 HA THR A 64 -11.461 -10.198 -0.031 1.00 0.00 H new ATOM 0 HB THR A 64 -12.567 -10.005 -2.845 1.00 0.00 H new ATOM 0 HG1 THR A 64 -14.659 -10.116 -1.805 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.696 -12.139 -2.259 1.00 0.00 H new ATOM 0 HG22 THR A 64 -11.925 -12.264 -2.136 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.909 -12.093 -0.663 1.00 0.00 H new ATOM 987 N GLY A 65 -9.270 -10.769 -1.028 1.00 0.00 N ATOM 988 CA GLY A 65 -8.086 -11.191 -1.805 1.00 0.00 C ATOM 989 C GLY A 65 -7.272 -12.076 -0.816 1.00 0.00 C ATOM 990 O GLY A 65 -7.876 -12.583 0.092 1.00 0.00 O ATOM 0 H GLY A 65 -9.272 -10.902 -0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.373 -11.750 -2.695 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.505 -10.333 -2.142 1.00 0.00 H new ATOM 994 N THR A 66 -5.982 -12.116 -1.159 1.00 0.00 N ATOM 995 CA THR A 66 -4.957 -12.849 -0.431 1.00 0.00 C ATOM 996 C THR A 66 -3.561 -12.410 -0.719 1.00 0.00 C ATOM 997 O THR A 66 -3.212 -12.197 -1.877 1.00 0.00 O ATOM 998 CB THR A 66 -5.167 -14.306 -0.955 1.00 0.00 C ATOM 999 OG1 THR A 66 -4.289 -15.149 -0.305 1.00 0.00 O ATOM 1000 CG2 THR A 66 -4.868 -14.299 -2.471 1.00 0.00 C ATOM 0 H THR A 66 -5.617 -11.624 -1.974 1.00 0.00 H new ATOM 0 HA THR A 66 -5.059 -12.708 0.645 1.00 0.00 H new ATOM 0 HB THR A 66 -6.185 -14.650 -0.771 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.693 -16.038 -0.218 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.005 -15.303 -2.873 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.549 -13.611 -2.973 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.840 -13.978 -2.638 1.00 0.00 H new ATOM 1008 N TRP A 67 -2.651 -12.228 0.255 1.00 0.00 N ATOM 1009 CA TRP A 67 -1.298 -11.798 -0.135 1.00 0.00 C ATOM 1010 C TRP A 67 -0.376 -12.995 0.262 1.00 0.00 C ATOM 1011 O TRP A 67 -0.060 -13.010 1.411 1.00 0.00 O ATOM 1012 CB TRP A 67 -0.807 -10.546 0.565 1.00 0.00 C ATOM 1013 CG TRP A 67 -1.639 -9.402 -0.014 1.00 0.00 C ATOM 1014 CD1 TRP A 67 -2.259 -8.439 0.798 1.00 0.00 C ATOM 1015 CD2 TRP A 67 -1.967 -9.058 -1.388 1.00 0.00 C ATOM 1016 NE1 TRP A 67 -2.858 -7.660 -0.030 1.00 0.00 N ATOM 1017 CE2 TRP A 67 -2.764 -7.923 -1.373 1.00 0.00 C ATOM 1018 CE3 TRP A 67 -1.653 -9.617 -2.565 1.00 0.00 C ATOM 1019 CZ2 TRP A 67 -3.243 -7.371 -2.528 1.00 0.00 C ATOM 1020 CZ3 TRP A 67 -2.129 -9.061 -3.725 1.00 0.00 C ATOM 1021 CH2 TRP A 67 -2.924 -7.946 -3.726 1.00 0.00 C ATOM 0 H TRP A 67 -2.810 -12.361 1.254 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.293 -11.547 -1.196 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.941 -10.622 1.644 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.256 -10.388 0.386 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -2.237 -8.369 1.875 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -3.394 -6.860 0.306 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -1.030 -10.498 -2.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -3.867 -6.490 -2.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -1.868 -9.517 -4.668 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -3.291 -7.530 -4.653 1.00 0.00 H new ATOM 1032 N THR A 68 -0.161 -13.738 -0.827 1.00 0.00 N ATOM 1033 CA THR A 68 0.646 -14.938 -0.872 1.00 0.00 C ATOM 1034 C THR A 68 2.058 -14.747 -1.452 1.00 0.00 C ATOM 1035 O THR A 68 2.253 -14.747 -2.657 1.00 0.00 O ATOM 1036 CB THR A 68 -0.034 -16.103 -1.559 1.00 0.00 C ATOM 1037 OG1 THR A 68 0.379 -16.416 -2.865 1.00 0.00 O ATOM 1038 CG2 THR A 68 -1.570 -16.008 -1.574 1.00 0.00 C ATOM 0 H THR A 68 -0.565 -13.501 -1.733 1.00 0.00 H new ATOM 0 HA THR A 68 0.764 -15.181 0.184 1.00 0.00 H new ATOM 0 HB THR A 68 0.305 -16.913 -0.913 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.971 -15.710 -3.199 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.983 -16.879 -2.083 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.943 -15.976 -0.550 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.873 -15.102 -2.099 1.00 0.00 H new ATOM 1046 N MET A 69 2.936 -14.598 -0.461 1.00 0.00 N ATOM 1047 CA MET A 69 4.349 -14.408 -0.621 1.00 0.00 C ATOM 1048 C MET A 69 4.833 -15.615 -1.440 1.00 0.00 C ATOM 1049 O MET A 69 4.875 -16.742 -0.962 1.00 0.00 O ATOM 1050 CB MET A 69 4.998 -14.502 0.789 1.00 0.00 C ATOM 1051 CG MET A 69 6.190 -13.540 0.813 1.00 0.00 C ATOM 1052 SD MET A 69 7.442 -14.133 1.953 1.00 0.00 S ATOM 1053 CE MET A 69 7.968 -15.663 1.217 1.00 0.00 C ATOM 0 H MET A 69 2.651 -14.609 0.518 1.00 0.00 H new ATOM 0 HA MET A 69 4.595 -13.457 -1.093 1.00 0.00 H new ATOM 0 HB2 MET A 69 4.276 -14.237 1.562 1.00 0.00 H new ATOM 0 HB3 MET A 69 5.324 -15.522 0.994 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.613 -13.448 -0.187 1.00 0.00 H new ATOM 0 HG3 MET A 69 5.858 -12.545 1.111 1.00 0.00 H new ATOM 0 HE1 MET A 69 9.018 -15.838 1.453 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.366 -16.482 1.610 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.844 -15.608 0.135 1.00 0.00 H new ATOM 1063 N GLU A 70 5.196 -15.300 -2.694 1.00 0.00 N ATOM 1064 CA GLU A 70 5.675 -16.377 -3.577 1.00 0.00 C ATOM 1065 C GLU A 70 7.175 -16.282 -3.619 1.00 0.00 C ATOM 1066 O GLU A 70 7.762 -16.005 -4.656 1.00 0.00 O ATOM 1067 CB GLU A 70 5.167 -16.188 -5.007 1.00 0.00 C ATOM 1068 CG GLU A 70 5.591 -17.304 -5.948 1.00 0.00 C ATOM 1069 CD GLU A 70 4.638 -17.427 -7.147 1.00 0.00 C ATOM 1070 OE1 GLU A 70 4.015 -16.441 -7.538 1.00 0.00 O ATOM 1071 OE2 GLU A 70 4.511 -18.518 -7.695 1.00 0.00 O ATOM 0 H GLU A 70 5.171 -14.366 -3.103 1.00 0.00 H new ATOM 0 HA GLU A 70 5.320 -17.335 -3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.079 -16.127 -4.994 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.535 -15.237 -5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.603 -17.114 -6.305 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.617 -18.249 -5.405 1.00 0.00 H new ATOM 1078 N GLY A 71 7.688 -16.542 -2.404 1.00 0.00 N ATOM 1079 CA GLY A 71 9.132 -16.505 -2.257 1.00 0.00 C ATOM 1080 C GLY A 71 9.512 -15.058 -2.667 1.00 0.00 C ATOM 1081 O GLY A 71 9.275 -14.110 -1.911 1.00 0.00 O ATOM 0 H GLY A 71 7.154 -16.766 -1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.435 -16.723 -1.233 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.618 -17.242 -2.897 1.00 0.00 H new ATOM 1085 N ASN A 72 10.078 -15.039 -3.869 1.00 0.00 N ATOM 1086 CA ASN A 72 10.491 -13.739 -4.397 1.00 0.00 C ATOM 1087 C ASN A 72 9.366 -13.179 -5.293 1.00 0.00 C ATOM 1088 O ASN A 72 9.592 -12.992 -6.486 1.00 0.00 O ATOM 1089 CB ASN A 72 11.854 -13.824 -5.054 1.00 0.00 C ATOM 1090 CG ASN A 72 12.735 -14.610 -4.077 1.00 0.00 C ATOM 1091 OD1 ASN A 72 12.517 -15.817 -3.884 1.00 0.00 O ATOM 1092 ND2 ASN A 72 13.708 -13.890 -3.498 1.00 0.00 N ATOM 0 H ASN A 72 10.254 -15.848 -4.464 1.00 0.00 H new ATOM 0 HA ASN A 72 10.629 -13.020 -3.590 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.793 -14.327 -6.019 1.00 0.00 H new ATOM 0 HB3 ASN A 72 12.263 -12.831 -5.238 1.00 0.00 H new ATOM 0 HD21 ASN A 72 14.345 -14.333 -2.836 1.00 0.00 H new ATOM 0 HD22 ASN A 72 13.810 -12.900 -3.720 1.00 0.00 H new ATOM 1099 N LYS A 73 8.229 -12.965 -4.582 1.00 0.00 N ATOM 1100 CA LYS A 73 7.110 -12.431 -5.360 1.00 0.00 C ATOM 1101 C LYS A 73 5.967 -12.055 -4.433 1.00 0.00 C ATOM 1102 O LYS A 73 6.134 -12.261 -3.222 1.00 0.00 O ATOM 1103 CB LYS A 73 6.771 -13.322 -6.534 1.00 0.00 C ATOM 1104 CG LYS A 73 6.738 -12.593 -7.877 1.00 0.00 C ATOM 1105 CD LYS A 73 7.510 -13.341 -8.961 1.00 0.00 C ATOM 1106 CE LYS A 73 7.955 -12.316 -10.008 1.00 0.00 C ATOM 1107 NZ LYS A 73 8.043 -12.915 -11.337 1.00 0.00 N ATOM 0 H LYS A 73 8.077 -13.133 -3.587 1.00 0.00 H new ATOM 0 HA LYS A 73 7.391 -11.496 -5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.502 -14.129 -6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.799 -13.783 -6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.703 -12.466 -8.193 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.160 -11.595 -7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.374 -13.850 -8.533 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.883 -14.107 -9.418 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.250 -11.485 -10.028 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.925 -11.905 -9.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.347 -12.195 -12.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.734 -13.692 -11.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.111 -13.285 -11.613 1.00 0.00 H new ATOM 1121 N LEU A 74 4.900 -11.542 -5.017 1.00 0.00 N ATOM 1122 CA LEU A 74 3.786 -11.152 -4.161 1.00 0.00 C ATOM 1123 C LEU A 74 2.500 -11.102 -4.902 1.00 0.00 C ATOM 1124 O LEU A 74 1.979 -10.054 -5.214 1.00 0.00 O ATOM 1125 CB LEU A 74 4.160 -9.787 -3.527 1.00 0.00 C ATOM 1126 CG LEU A 74 4.400 -9.985 -2.018 1.00 0.00 C ATOM 1127 CD1 LEU A 74 4.631 -8.698 -1.245 1.00 0.00 C ATOM 1128 CD2 LEU A 74 3.317 -10.785 -1.266 1.00 0.00 C ATOM 0 H LEU A 74 4.777 -11.390 -6.018 1.00 0.00 H new ATOM 0 HA LEU A 74 3.626 -11.896 -3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.055 -9.384 -4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.360 -9.064 -3.690 1.00 0.00 H new ATOM 0 HG LEU A 74 5.315 -10.577 -2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.791 -8.930 -0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.509 -8.188 -1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.759 -8.052 -1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.588 -10.863 -0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.358 -10.274 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.239 -11.784 -1.695 1.00 0.00 H new ATOM 1140 N VAL A 75 2.021 -12.331 -5.165 1.00 0.00 N ATOM 1141 CA VAL A 75 0.801 -12.569 -5.876 1.00 0.00 C ATOM 1142 C VAL A 75 -0.446 -12.676 -5.034 1.00 0.00 C ATOM 1143 O VAL A 75 -0.520 -13.332 -4.008 1.00 0.00 O ATOM 1144 CB VAL A 75 1.084 -13.811 -6.741 1.00 0.00 C ATOM 1145 CG1 VAL A 75 -0.101 -14.431 -7.450 1.00 0.00 C ATOM 1146 CG2 VAL A 75 2.015 -13.376 -7.887 1.00 0.00 C ATOM 0 H VAL A 75 2.496 -13.186 -4.875 1.00 0.00 H new ATOM 0 HA VAL A 75 0.545 -11.698 -6.479 1.00 0.00 H new ATOM 0 HB VAL A 75 1.475 -14.546 -6.037 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.230 -15.296 -8.024 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.841 -14.746 -6.714 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.547 -13.698 -8.122 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.237 -14.234 -8.521 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.526 -12.603 -8.480 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.943 -12.982 -7.472 1.00 0.00 H new ATOM 1156 N GLY A 76 -1.441 -11.948 -5.571 1.00 0.00 N ATOM 1157 CA GLY A 76 -2.718 -11.943 -4.876 1.00 0.00 C ATOM 1158 C GLY A 76 -3.562 -10.898 -5.661 1.00 0.00 C ATOM 1159 O GLY A 76 -3.130 -10.556 -6.722 1.00 0.00 O ATOM 0 H GLY A 76 -1.387 -11.394 -6.426 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.186 -12.928 -4.891 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.603 -11.660 -3.830 1.00 0.00 H new ATOM 1163 N LYS A 77 -4.670 -10.565 -4.942 1.00 0.00 N ATOM 1164 CA LYS A 77 -5.530 -9.598 -5.577 1.00 0.00 C ATOM 1165 C LYS A 77 -6.788 -9.310 -4.793 1.00 0.00 C ATOM 1166 O LYS A 77 -7.593 -10.176 -4.569 1.00 0.00 O ATOM 1167 CB LYS A 77 -5.915 -10.311 -6.899 1.00 0.00 C ATOM 1168 CG LYS A 77 -7.275 -9.886 -7.391 1.00 0.00 C ATOM 1169 CD LYS A 77 -7.479 -10.058 -8.891 1.00 0.00 C ATOM 1170 CE LYS A 77 -8.665 -9.217 -9.391 1.00 0.00 C ATOM 1171 NZ LYS A 77 -9.965 -9.769 -8.974 1.00 0.00 N ATOM 0 H LYS A 77 -4.947 -10.919 -4.026 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.033 -8.634 -5.687 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.168 -10.091 -7.661 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.905 -11.390 -6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.036 -10.462 -6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.432 -8.839 -7.132 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.573 -9.764 -9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.654 -11.110 -9.119 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.569 -8.199 -9.014 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.631 -9.158 -10.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.731 -9.166 -9.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.072 -10.731 -9.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.012 -9.801 -7.936 1.00 0.00 H new ATOM 1185 N PHE A 78 -6.817 -8.019 -4.424 1.00 0.00 N ATOM 1186 CA PHE A 78 -7.982 -7.579 -3.628 1.00 0.00 C ATOM 1187 C PHE A 78 -8.646 -6.606 -4.584 1.00 0.00 C ATOM 1188 O PHE A 78 -8.227 -6.198 -5.623 1.00 0.00 O ATOM 1189 CB PHE A 78 -7.558 -7.107 -2.269 1.00 0.00 C ATOM 1190 CG PHE A 78 -6.728 -7.973 -1.386 1.00 0.00 C ATOM 1191 CD1 PHE A 78 -5.701 -8.758 -1.880 1.00 0.00 C ATOM 1192 CD2 PHE A 78 -6.861 -8.104 -0.023 1.00 0.00 C ATOM 1193 CE1 PHE A 78 -4.940 -9.560 -1.055 1.00 0.00 C ATOM 1194 CE2 PHE A 78 -6.047 -8.931 0.737 1.00 0.00 C ATOM 1195 CZ PHE A 78 -5.166 -9.603 0.290 1.00 0.00 C ATOM 0 H PHE A 78 -6.114 -7.311 -4.639 1.00 0.00 H new ATOM 0 HA PHE A 78 -8.708 -8.334 -3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -7.011 -6.175 -2.410 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -8.466 -6.863 -1.717 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.490 -8.742 -2.939 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -7.633 -7.538 0.477 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.152 -10.164 -1.481 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.221 -8.970 1.802 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.564 -10.228 0.933 1.00 0.00 H new ATOM 1205 N LYS A 79 -9.842 -6.246 -4.080 1.00 0.00 N ATOM 1206 CA LYS A 79 -10.653 -5.339 -4.844 1.00 0.00 C ATOM 1207 C LYS A 79 -11.870 -4.804 -4.122 1.00 0.00 C ATOM 1208 O LYS A 79 -12.511 -5.538 -3.379 1.00 0.00 O ATOM 1209 CB LYS A 79 -11.130 -6.314 -5.970 1.00 0.00 C ATOM 1210 CG LYS A 79 -11.631 -5.702 -7.260 1.00 0.00 C ATOM 1211 CD LYS A 79 -13.076 -5.172 -7.252 1.00 0.00 C ATOM 1212 CE LYS A 79 -13.539 -4.749 -8.645 1.00 0.00 C ATOM 1213 NZ LYS A 79 -14.826 -5.380 -8.975 1.00 0.00 N ATOM 0 H LYS A 79 -10.235 -6.561 -3.193 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.109 -4.440 -5.133 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.301 -6.978 -6.213 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.927 -6.935 -5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.967 -4.880 -7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.546 -6.450 -8.048 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.743 -5.944 -6.867 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.147 -4.322 -6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.638 -3.664 -8.688 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.789 -5.030 -9.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.126 -5.081 -9.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.721 -6.414 -8.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.543 -5.091 -8.279 1.00 0.00 H new ATOM 1227 N ARG A 80 -12.168 -3.519 -4.368 1.00 0.00 N ATOM 1228 CA ARG A 80 -13.315 -2.959 -3.736 1.00 0.00 C ATOM 1229 C ARG A 80 -14.546 -3.136 -4.676 1.00 0.00 C ATOM 1230 O ARG A 80 -14.614 -2.420 -5.668 1.00 0.00 O ATOM 1231 CB ARG A 80 -13.205 -1.461 -3.421 1.00 0.00 C ATOM 1232 CG ARG A 80 -13.547 -1.300 -1.936 1.00 0.00 C ATOM 1233 CD ARG A 80 -13.359 0.129 -1.457 1.00 0.00 C ATOM 1234 NE ARG A 80 -14.466 0.500 -0.597 1.00 0.00 N ATOM 1235 CZ ARG A 80 -14.696 1.760 -0.226 1.00 0.00 C ATOM 1236 NH1 ARG A 80 -13.872 2.736 -0.658 1.00 0.00 N ATOM 1237 NH2 ARG A 80 -15.722 2.090 0.570 1.00 0.00 N ATOM 0 H ARG A 80 -11.642 -2.892 -4.976 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.413 -3.488 -2.788 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.200 -1.094 -3.629 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.890 -0.883 -4.041 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.580 -1.605 -1.767 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -12.917 -1.965 -1.345 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.417 0.222 -0.916 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.304 0.806 -2.310 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.093 -0.232 -0.263 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.083 2.507 -1.262 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -14.038 3.703 -0.381 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.356 1.367 0.911 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.869 3.064 0.835 1.00 0.00 H new ATOM 1251 N VAL A 81 -15.364 -4.086 -4.233 1.00 0.00 N ATOM 1252 CA VAL A 81 -16.570 -4.414 -4.951 1.00 0.00 C ATOM 1253 C VAL A 81 -17.508 -3.188 -4.979 1.00 0.00 C ATOM 1254 O VAL A 81 -18.404 -3.178 -5.790 1.00 0.00 O ATOM 1255 CB VAL A 81 -17.249 -5.617 -4.347 1.00 0.00 C ATOM 1256 CG1 VAL A 81 -16.409 -6.889 -4.598 1.00 0.00 C ATOM 1257 CG2 VAL A 81 -17.445 -5.604 -2.805 1.00 0.00 C ATOM 0 H VAL A 81 -15.207 -4.633 -3.386 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.312 -4.675 -5.977 1.00 0.00 H new ATOM 0 HB VAL A 81 -18.226 -5.598 -4.830 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -16.911 -7.750 -4.156 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -16.297 -7.045 -5.671 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -15.425 -6.771 -4.144 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -17.944 -6.522 -2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -16.474 -5.535 -2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -18.055 -4.746 -2.523 1.00 0.00 H new ATOM 1267 N ASP A 82 -17.188 -2.274 -4.079 1.00 0.00 N ATOM 1268 CA ASP A 82 -17.918 -1.036 -3.912 1.00 0.00 C ATOM 1269 C ASP A 82 -17.682 -0.081 -5.078 1.00 0.00 C ATOM 1270 O ASP A 82 -18.688 0.591 -5.400 1.00 0.00 O ATOM 1271 CB ASP A 82 -17.550 -0.429 -2.546 1.00 0.00 C ATOM 1272 CG ASP A 82 -18.577 0.626 -2.152 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -19.591 0.724 -2.840 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -18.422 1.345 -1.183 1.00 0.00 O ATOM 0 H ASP A 82 -16.402 -2.376 -3.436 1.00 0.00 H new ATOM 0 HA ASP A 82 -18.990 -1.233 -3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.512 -1.212 -1.789 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -16.557 0.018 -2.593 1.00 0.00 H new ATOM 1279 N ASN A 83 -16.461 -0.032 -5.651 1.00 0.00 N ATOM 1280 CA ASN A 83 -16.327 0.898 -6.751 1.00 0.00 C ATOM 1281 C ASN A 83 -15.862 0.184 -8.009 1.00 0.00 C ATOM 1282 O ASN A 83 -15.625 0.852 -9.024 1.00 0.00 O ATOM 1283 CB ASN A 83 -15.268 1.915 -6.323 1.00 0.00 C ATOM 1284 CG ASN A 83 -15.671 2.728 -5.083 1.00 0.00 C ATOM 1285 OD1 ASN A 83 -16.688 2.469 -4.481 1.00 0.00 O ATOM 1286 ND2 ASN A 83 -14.814 3.702 -4.781 1.00 0.00 N ATOM 0 H ASN A 83 -15.637 -0.574 -5.392 1.00 0.00 H new ATOM 0 HA ASN A 83 -17.283 1.371 -6.975 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -14.334 1.392 -6.118 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -15.076 2.598 -7.150 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -14.992 4.307 -3.979 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -13.980 3.843 -5.351 1.00 0.00 H new ATOM 1293 N GLY A 84 -15.755 -1.141 -7.872 1.00 0.00 N ATOM 1294 CA GLY A 84 -15.290 -1.792 -9.112 1.00 0.00 C ATOM 1295 C GLY A 84 -13.819 -1.283 -9.177 1.00 0.00 C ATOM 1296 O GLY A 84 -13.290 -0.886 -10.208 1.00 0.00 O ATOM 0 H GLY A 84 -15.948 -1.718 -7.053 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -15.349 -2.879 -9.055 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -15.872 -1.487 -9.982 1.00 0.00 H new ATOM 1300 N LYS A 85 -13.342 -1.388 -7.918 1.00 0.00 N ATOM 1301 CA LYS A 85 -11.989 -0.980 -7.641 1.00 0.00 C ATOM 1302 C LYS A 85 -11.008 -2.097 -7.438 1.00 0.00 C ATOM 1303 O LYS A 85 -11.402 -2.955 -6.654 1.00 0.00 O ATOM 1304 CB LYS A 85 -12.045 -0.231 -6.271 1.00 0.00 C ATOM 1305 CG LYS A 85 -10.683 -0.172 -5.615 1.00 0.00 C ATOM 1306 CD LYS A 85 -10.342 1.265 -5.172 1.00 0.00 C ATOM 1307 CE LYS A 85 -11.526 2.047 -4.672 1.00 0.00 C ATOM 1308 NZ LYS A 85 -11.153 2.694 -3.403 1.00 0.00 N ATOM 0 H LYS A 85 -13.867 -1.741 -7.118 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.651 -0.404 -8.502 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.421 0.781 -6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.748 -0.735 -5.608 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.663 -0.837 -4.751 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.925 -0.531 -6.311 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.589 1.223 -4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.896 1.797 -6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.824 2.796 -5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.381 1.388 -4.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.961 3.240 -3.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.887 1.967 -2.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.347 3.332 -3.562 1.00 0.00 H new ATOM 1322 N GLU A 86 -9.829 -2.104 -8.056 1.00 0.00 N ATOM 1323 CA GLU A 86 -8.915 -3.203 -7.789 1.00 0.00 C ATOM 1324 C GLU A 86 -7.713 -2.637 -6.965 1.00 0.00 C ATOM 1325 O GLU A 86 -7.293 -1.560 -7.285 1.00 0.00 O ATOM 1326 CB GLU A 86 -8.509 -4.047 -8.979 1.00 0.00 C ATOM 1327 CG GLU A 86 -9.676 -4.569 -9.863 1.00 0.00 C ATOM 1328 CD GLU A 86 -9.226 -4.717 -11.288 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -8.655 -3.837 -11.925 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -9.475 -5.811 -11.816 1.00 0.00 O ATOM 0 H GLU A 86 -9.498 -1.397 -8.713 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.456 -3.946 -7.203 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.837 -3.460 -9.605 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.940 -4.903 -8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.027 -5.529 -9.484 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.518 -3.879 -9.810 1.00 0.00 H new ATOM 1337 N LEU A 87 -7.370 -3.491 -6.026 1.00 0.00 N ATOM 1338 CA LEU A 87 -6.267 -3.178 -5.127 1.00 0.00 C ATOM 1339 C LEU A 87 -5.302 -4.350 -5.049 1.00 0.00 C ATOM 1340 O LEU A 87 -4.857 -4.766 -4.008 1.00 0.00 O ATOM 1341 CB LEU A 87 -6.695 -2.659 -3.753 1.00 0.00 C ATOM 1342 CG LEU A 87 -5.612 -1.765 -3.075 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -6.115 -0.317 -2.922 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -5.188 -2.192 -1.683 1.00 0.00 C ATOM 0 H LEU A 87 -7.823 -4.390 -5.862 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.740 -2.330 -5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.617 -2.087 -3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.917 -3.506 -3.104 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.758 -1.863 -3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.343 0.288 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.344 0.094 -3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.014 -0.307 -2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.433 -1.503 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.053 -2.181 -1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.773 -3.199 -1.722 1.00 0.00 H new ATOM 1356 N ILE A 88 -5.083 -4.782 -6.285 1.00 0.00 N ATOM 1357 CA ILE A 88 -4.188 -5.914 -6.472 1.00 0.00 C ATOM 1358 C ILE A 88 -2.803 -5.347 -6.097 1.00 0.00 C ATOM 1359 O ILE A 88 -2.680 -4.149 -5.970 1.00 0.00 O ATOM 1360 CB ILE A 88 -4.283 -6.299 -7.944 1.00 0.00 C ATOM 1361 CG1 ILE A 88 -5.736 -6.771 -8.228 1.00 0.00 C ATOM 1362 CG2 ILE A 88 -3.329 -7.333 -8.505 1.00 0.00 C ATOM 1363 CD1 ILE A 88 -6.127 -6.985 -9.682 1.00 0.00 C ATOM 0 H ILE A 88 -5.490 -4.389 -7.134 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.407 -6.803 -5.881 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.981 -5.386 -8.457 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.897 -7.707 -7.694 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.419 -6.038 -7.799 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.538 -7.484 -9.564 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.303 -6.985 -8.383 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.458 -8.275 -7.972 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.165 -7.313 -9.735 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.013 -6.050 -10.231 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.483 -7.746 -10.124 1.00 0.00 H new ATOM 1375 N ALA A 89 -1.924 -6.322 -5.972 1.00 0.00 N ATOM 1376 CA ALA A 89 -0.526 -6.120 -5.630 1.00 0.00 C ATOM 1377 C ALA A 89 0.236 -7.139 -6.428 1.00 0.00 C ATOM 1378 O ALA A 89 0.182 -8.296 -6.135 1.00 0.00 O ATOM 1379 CB ALA A 89 -0.372 -6.279 -4.097 1.00 0.00 C ATOM 0 H ALA A 89 -2.167 -7.303 -6.109 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.143 -5.128 -5.870 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.671 -6.131 -3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.991 -5.539 -3.590 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.688 -7.279 -3.801 1.00 0.00 H new ATOM 1385 N VAL A 90 0.901 -6.570 -7.412 1.00 0.00 N ATOM 1386 CA VAL A 90 1.691 -7.422 -8.265 1.00 0.00 C ATOM 1387 C VAL A 90 3.142 -7.014 -7.897 1.00 0.00 C ATOM 1388 O VAL A 90 3.533 -5.903 -8.309 1.00 0.00 O ATOM 1389 CB VAL A 90 1.459 -7.101 -9.721 1.00 0.00 C ATOM 1390 CG1 VAL A 90 2.583 -7.606 -10.644 1.00 0.00 C ATOM 1391 CG2 VAL A 90 0.230 -7.779 -10.320 1.00 0.00 C ATOM 0 H VAL A 90 0.912 -5.574 -7.632 1.00 0.00 H new ATOM 0 HA VAL A 90 1.460 -8.479 -8.130 1.00 0.00 H new ATOM 0 HB VAL A 90 1.372 -6.015 -9.691 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.353 -7.342 -11.676 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.527 -7.145 -10.353 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.666 -8.689 -10.557 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.134 -7.497 -11.369 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.338 -8.861 -10.243 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.661 -7.464 -9.776 1.00 0.00 H new ATOM 1401 N ARG A 91 3.820 -7.915 -7.164 1.00 0.00 N ATOM 1402 CA ARG A 91 5.133 -7.435 -6.875 1.00 0.00 C ATOM 1403 C ARG A 91 6.167 -8.479 -6.576 1.00 0.00 C ATOM 1404 O ARG A 91 5.829 -9.580 -6.281 1.00 0.00 O ATOM 1405 CB ARG A 91 5.078 -6.598 -5.557 1.00 0.00 C ATOM 1406 CG ARG A 91 6.165 -5.553 -5.440 1.00 0.00 C ATOM 1407 CD ARG A 91 6.246 -4.599 -6.621 1.00 0.00 C ATOM 1408 NE ARG A 91 7.505 -4.769 -7.347 1.00 0.00 N ATOM 1409 CZ ARG A 91 7.542 -5.069 -8.649 1.00 0.00 C ATOM 1410 NH1 ARG A 91 6.483 -5.254 -9.426 1.00 0.00 N ATOM 1411 NH2 ARG A 91 8.735 -5.203 -9.257 1.00 0.00 N ATOM 0 H ARG A 91 3.527 -8.829 -6.819 1.00 0.00 H new ATOM 0 HA ARG A 91 5.419 -6.900 -7.781 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.108 -6.105 -5.493 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.148 -7.276 -4.706 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.000 -4.974 -4.531 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.126 -6.056 -5.328 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.407 -4.776 -7.294 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.161 -3.571 -6.269 1.00 0.00 H new ATOM 0 HE ARG A 91 8.384 -4.655 -6.842 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.544 -5.169 -9.037 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.608 -5.481 -10.413 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.596 -5.076 -8.725 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.778 -5.432 -10.250 1.00 0.00 H new ATOM 1425 N GLU A 92 7.370 -7.900 -6.715 1.00 0.00 N ATOM 1426 CA GLU A 92 8.536 -8.707 -6.472 1.00 0.00 C ATOM 1427 C GLU A 92 9.668 -7.832 -5.928 1.00 0.00 C ATOM 1428 O GLU A 92 9.848 -6.755 -6.451 1.00 0.00 O ATOM 1429 CB GLU A 92 8.843 -9.326 -7.831 1.00 0.00 C ATOM 1430 CG GLU A 92 7.966 -8.800 -9.004 1.00 0.00 C ATOM 1431 CD GLU A 92 8.583 -9.182 -10.329 1.00 0.00 C ATOM 1432 OE1 GLU A 92 9.661 -9.786 -10.343 1.00 0.00 O ATOM 1433 OE2 GLU A 92 8.015 -8.890 -11.388 1.00 0.00 O ATOM 0 H GLU A 92 7.540 -6.930 -6.980 1.00 0.00 H new ATOM 0 HA GLU A 92 8.397 -9.483 -5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.891 -9.142 -8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.717 -10.406 -7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.960 -9.214 -8.930 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.870 -7.716 -8.938 1.00 0.00 H new ATOM 1440 N ILE A 93 10.289 -8.449 -4.913 1.00 0.00 N ATOM 1441 CA ILE A 93 11.388 -7.793 -4.256 1.00 0.00 C ATOM 1442 C ILE A 93 12.364 -7.240 -5.289 1.00 0.00 C ATOM 1443 O ILE A 93 12.818 -8.054 -6.113 1.00 0.00 O ATOM 1444 CB ILE A 93 12.098 -8.700 -3.222 1.00 0.00 C ATOM 1445 CG1 ILE A 93 11.039 -9.447 -2.393 1.00 0.00 C ATOM 1446 CG2 ILE A 93 12.983 -7.930 -2.282 1.00 0.00 C ATOM 1447 CD1 ILE A 93 9.891 -8.567 -1.929 1.00 0.00 C ATOM 0 H ILE A 93 10.047 -9.371 -4.550 1.00 0.00 H new ATOM 0 HA ILE A 93 10.978 -6.960 -3.685 1.00 0.00 H new ATOM 0 HB ILE A 93 12.728 -9.391 -3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.638 -10.268 -2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.520 -9.890 -1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 93 13.454 -8.618 -1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 93 13.753 -7.409 -2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 93 12.385 -7.204 -1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.185 -9.164 -1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.279 -7.761 -1.307 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.383 -8.144 -2.796 1.00 0.00 H new ATOM 1459 N SER A 94 12.617 -5.947 -5.184 1.00 0.00 N ATOM 1460 CA SER A 94 13.521 -5.325 -6.109 1.00 0.00 C ATOM 1461 C SER A 94 14.676 -4.538 -5.528 1.00 0.00 C ATOM 1462 O SER A 94 14.566 -3.388 -5.079 1.00 0.00 O ATOM 1463 CB SER A 94 12.616 -4.447 -7.026 1.00 0.00 C ATOM 1464 OG SER A 94 12.229 -3.236 -6.497 1.00 0.00 O ATOM 0 H SER A 94 12.215 -5.327 -4.481 1.00 0.00 H new ATOM 0 HA SER A 94 14.061 -6.109 -6.640 1.00 0.00 H new ATOM 0 HB2 SER A 94 13.147 -4.262 -7.960 1.00 0.00 H new ATOM 0 HB3 SER A 94 11.721 -5.017 -7.275 1.00 0.00 H new ATOM 0 HG SER A 94 12.854 -2.973 -5.789 1.00 0.00 H new ATOM 1470 N GLY A 95 15.846 -5.156 -5.532 1.00 0.00 N ATOM 1471 CA GLY A 95 17.017 -4.468 -5.001 1.00 0.00 C ATOM 1472 C GLY A 95 16.943 -4.561 -3.467 1.00 0.00 C ATOM 1473 O GLY A 95 17.362 -3.676 -2.746 1.00 0.00 O ATOM 0 H GLY A 95 16.011 -6.099 -5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 95 17.934 -4.928 -5.370 1.00 0.00 H new ATOM 0 HA3 GLY A 95 17.030 -3.427 -5.323 1.00 0.00 H new ATOM 1477 N ASN A 96 16.375 -5.705 -3.069 1.00 0.00 N ATOM 1478 CA ASN A 96 16.215 -6.002 -1.677 1.00 0.00 C ATOM 1479 C ASN A 96 15.362 -4.930 -0.992 1.00 0.00 C ATOM 1480 O ASN A 96 15.707 -4.489 0.118 1.00 0.00 O ATOM 1481 CB ASN A 96 17.634 -5.989 -1.099 1.00 0.00 C ATOM 1482 CG ASN A 96 17.653 -6.742 0.233 1.00 0.00 C ATOM 1483 OD1 ASN A 96 16.636 -7.128 0.754 1.00 0.00 O ATOM 1484 ND2 ASN A 96 18.906 -6.896 0.714 1.00 0.00 N ATOM 0 H ASN A 96 16.026 -6.425 -3.702 1.00 0.00 H new ATOM 0 HA ASN A 96 15.713 -6.957 -1.523 1.00 0.00 H new ATOM 0 HB2 ASN A 96 18.327 -6.453 -1.800 1.00 0.00 H new ATOM 0 HB3 ASN A 96 17.968 -4.962 -0.952 1.00 0.00 H new ATOM 0 HD21 ASN A 96 19.056 -7.379 1.600 1.00 0.00 H new ATOM 0 HD22 ASN A 96 19.702 -6.530 0.191 1.00 0.00 H new ATOM 1491 N GLU A 97 14.283 -4.557 -1.659 1.00 0.00 N ATOM 1492 CA GLU A 97 13.311 -3.596 -1.244 1.00 0.00 C ATOM 1493 C GLU A 97 11.988 -3.864 -2.032 1.00 0.00 C ATOM 1494 O GLU A 97 12.132 -4.469 -3.063 1.00 0.00 O ATOM 1495 CB GLU A 97 13.707 -2.139 -1.236 1.00 0.00 C ATOM 1496 CG GLU A 97 15.003 -1.866 -2.027 1.00 0.00 C ATOM 1497 CD GLU A 97 15.387 -0.397 -2.046 1.00 0.00 C ATOM 1498 OE1 GLU A 97 14.733 0.343 -2.773 1.00 0.00 O ATOM 1499 OE2 GLU A 97 16.345 -0.036 -1.340 1.00 0.00 O ATOM 0 H GLU A 97 14.060 -4.956 -2.571 1.00 0.00 H new ATOM 0 HA GLU A 97 13.181 -3.760 -0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.897 -1.545 -1.659 1.00 0.00 H new ATOM 0 HB3 GLU A 97 13.840 -1.809 -0.206 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.818 -2.443 -1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.878 -2.217 -3.051 1.00 0.00 H new ATOM 1506 N LEU A 98 10.937 -3.368 -1.403 1.00 0.00 N ATOM 1507 CA LEU A 98 9.621 -3.519 -1.987 1.00 0.00 C ATOM 1508 C LEU A 98 9.081 -2.127 -2.390 1.00 0.00 C ATOM 1509 O LEU A 98 9.279 -1.162 -1.691 1.00 0.00 O ATOM 1510 CB LEU A 98 8.762 -4.230 -0.930 1.00 0.00 C ATOM 1511 CG LEU A 98 7.900 -5.341 -1.520 1.00 0.00 C ATOM 1512 CD1 LEU A 98 7.684 -6.513 -0.571 1.00 0.00 C ATOM 1513 CD2 LEU A 98 6.488 -4.756 -1.710 1.00 0.00 C ATOM 0 H LEU A 98 10.967 -2.871 -0.513 1.00 0.00 H new ATOM 0 HA LEU A 98 9.620 -4.114 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.412 -4.649 -0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.119 -3.499 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 98 8.403 -5.687 -2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.062 -7.265 -1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.647 -6.952 -0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.188 -6.162 0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.832 -5.518 -2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.095 -4.433 -0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.536 -3.903 -2.387 1.00 0.00 H new ATOM 1525 N ILE A 99 8.418 -2.212 -3.555 1.00 0.00 N ATOM 1526 CA ILE A 99 7.816 -1.083 -4.168 1.00 0.00 C ATOM 1527 C ILE A 99 6.280 -1.199 -3.962 1.00 0.00 C ATOM 1528 O ILE A 99 5.718 -0.206 -3.596 1.00 0.00 O ATOM 1529 CB ILE A 99 8.126 -1.275 -5.680 1.00 0.00 C ATOM 1530 CG1 ILE A 99 9.617 -0.936 -5.882 1.00 0.00 C ATOM 1531 CG2 ILE A 99 7.309 -0.251 -6.427 1.00 0.00 C ATOM 1532 CD1 ILE A 99 10.063 -0.694 -7.289 1.00 0.00 C ATOM 0 H ILE A 99 8.301 -3.081 -4.076 1.00 0.00 H new ATOM 0 HA ILE A 99 8.166 -0.128 -3.776 1.00 0.00 H new ATOM 0 HB ILE A 99 7.903 -2.286 -6.022 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.847 -0.048 -5.294 1.00 0.00 H new ATOM 0 HG13 ILE A 99 10.211 -1.753 -5.472 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.494 -0.348 -7.497 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.250 -0.413 -6.226 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.591 0.749 -6.099 1.00 0.00 H new ATOM 0 HD11 ILE A 99 11.129 -0.466 -7.299 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.877 -1.586 -7.888 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.508 0.146 -7.707 1.00 0.00 H new ATOM 1544 N GLN A 100 5.785 -2.402 -4.228 1.00 0.00 N ATOM 1545 CA GLN A 100 4.392 -2.792 -4.136 1.00 0.00 C ATOM 1546 C GLN A 100 3.675 -1.910 -5.191 1.00 0.00 C ATOM 1547 O GLN A 100 3.387 -0.758 -4.973 1.00 0.00 O ATOM 1548 CB GLN A 100 3.731 -2.634 -2.783 1.00 0.00 C ATOM 1549 CG GLN A 100 4.497 -2.075 -1.603 1.00 0.00 C ATOM 1550 CD GLN A 100 3.566 -2.210 -0.376 1.00 0.00 C ATOM 1551 OE1 GLN A 100 3.517 -3.248 0.254 1.00 0.00 O ATOM 1552 NE2 GLN A 100 2.864 -1.075 -0.135 1.00 0.00 N ATOM 0 H GLN A 100 6.383 -3.171 -4.530 1.00 0.00 H new ATOM 0 HA GLN A 100 4.321 -3.866 -4.307 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.857 -1.999 -2.927 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.365 -3.618 -2.489 1.00 0.00 H new ATOM 0 HG2 GLN A 100 5.426 -2.623 -1.448 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.767 -1.033 -1.773 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.989 -0.261 -0.736 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.211 -1.036 0.647 1.00 0.00 H new ATOM 1561 N THR A 101 3.478 -2.664 -6.273 1.00 0.00 N ATOM 1562 CA THR A 101 2.839 -2.230 -7.473 1.00 0.00 C ATOM 1563 C THR A 101 1.378 -2.656 -7.526 1.00 0.00 C ATOM 1564 O THR A 101 0.947 -3.728 -7.877 1.00 0.00 O ATOM 1565 CB THR A 101 3.493 -2.641 -8.799 1.00 0.00 C ATOM 1566 OG1 THR A 101 4.544 -1.852 -9.256 1.00 0.00 O ATOM 1567 CG2 THR A 101 2.554 -2.892 -10.001 1.00 0.00 C ATOM 0 H THR A 101 3.781 -3.637 -6.318 1.00 0.00 H new ATOM 0 HA THR A 101 2.948 -1.148 -7.399 1.00 0.00 H new ATOM 0 HB THR A 101 3.888 -3.597 -8.455 1.00 0.00 H new ATOM 0 HG1 THR A 101 5.078 -2.361 -9.901 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.145 -3.175 -10.872 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.859 -3.696 -9.758 1.00 0.00 H new ATOM 0 HG23 THR A 101 1.995 -1.983 -10.222 1.00 0.00 H new ATOM 1575 N TYR A 102 0.645 -1.623 -7.105 1.00 0.00 N ATOM 1576 CA TYR A 102 -0.786 -1.861 -7.083 1.00 0.00 C ATOM 1577 C TYR A 102 -1.215 -1.901 -8.572 1.00 0.00 C ATOM 1578 O TYR A 102 -0.926 -0.971 -9.276 1.00 0.00 O ATOM 1579 CB TYR A 102 -1.508 -0.751 -6.364 1.00 0.00 C ATOM 1580 CG TYR A 102 -1.120 -0.592 -4.940 1.00 0.00 C ATOM 1581 CD1 TYR A 102 -1.448 -1.417 -3.896 1.00 0.00 C ATOM 1582 CD2 TYR A 102 -0.332 0.494 -4.517 1.00 0.00 C ATOM 1583 CE1 TYR A 102 -1.059 -1.208 -2.605 1.00 0.00 C ATOM 1584 CE2 TYR A 102 0.034 0.662 -3.210 1.00 0.00 C ATOM 1585 CZ TYR A 102 -0.281 -0.099 -2.312 1.00 0.00 C ATOM 1586 OH TYR A 102 0.142 0.159 -1.022 1.00 0.00 O ATOM 0 H TYR A 102 0.978 -0.707 -6.805 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.029 -2.784 -6.557 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.320 0.187 -6.887 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -2.581 -0.937 -6.418 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -2.052 -2.287 -4.108 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.005 1.219 -5.248 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -1.352 -1.895 -1.825 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.639 1.521 -2.959 1.00 0.00 H new ATOM 0 HH TYR A 102 0.678 0.979 -1.011 1.00 0.00 H new ATOM 1596 N THR A 103 -1.892 -3.025 -8.898 1.00 0.00 N ATOM 1597 CA THR A 103 -2.397 -3.267 -10.267 1.00 0.00 C ATOM 1598 C THR A 103 -3.886 -2.968 -10.079 1.00 0.00 C ATOM 1599 O THR A 103 -4.818 -3.755 -10.126 1.00 0.00 O ATOM 1600 CB THR A 103 -2.170 -4.673 -10.765 1.00 0.00 C ATOM 1601 OG1 THR A 103 -0.822 -4.869 -11.144 1.00 0.00 O ATOM 1602 CG2 THR A 103 -2.989 -5.154 -11.985 1.00 0.00 C ATOM 0 H THR A 103 -2.100 -3.773 -8.237 1.00 0.00 H new ATOM 0 HA THR A 103 -1.891 -2.665 -11.022 1.00 0.00 H new ATOM 0 HB THR A 103 -2.496 -5.248 -9.898 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.777 -5.536 -11.860 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.716 -6.182 -12.224 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.053 -5.106 -11.751 1.00 0.00 H new ATOM 0 HG23 THR A 103 -2.776 -4.514 -12.841 1.00 0.00 H new ATOM 1610 N TYR A 104 -3.982 -1.647 -9.841 1.00 0.00 N ATOM 1611 CA TYR A 104 -5.278 -1.023 -9.606 1.00 0.00 C ATOM 1612 C TYR A 104 -6.072 -0.626 -10.807 1.00 0.00 C ATOM 1613 O TYR A 104 -5.607 -0.008 -11.755 1.00 0.00 O ATOM 1614 CB TYR A 104 -4.920 0.134 -8.621 1.00 0.00 C ATOM 1615 CG TYR A 104 -5.929 1.175 -8.404 1.00 0.00 C ATOM 1616 CD1 TYR A 104 -6.377 1.946 -9.465 1.00 0.00 C ATOM 1617 CD2 TYR A 104 -6.504 1.477 -7.199 1.00 0.00 C ATOM 1618 CE1 TYR A 104 -7.334 2.931 -9.226 1.00 0.00 C ATOM 1619 CE2 TYR A 104 -7.452 2.477 -7.044 1.00 0.00 C ATOM 1620 CZ TYR A 104 -7.829 3.191 -8.171 1.00 0.00 C ATOM 1621 OH TYR A 104 -8.764 4.186 -8.077 1.00 0.00 O ATOM 0 H TYR A 104 -3.187 -1.008 -9.808 1.00 0.00 H new ATOM 0 HA TYR A 104 -5.997 -1.732 -9.196 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -4.681 -0.309 -7.654 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -4.012 0.616 -8.984 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -5.991 1.786 -10.461 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.206 0.910 -6.329 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -7.658 3.514 -10.075 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -7.882 2.693 -6.077 1.00 0.00 H new ATOM 0 HH TYR A 104 -9.065 4.266 -7.148 1.00 0.00 H new ATOM 1631 N GLU A 105 -7.343 -1.012 -10.741 1.00 0.00 N ATOM 1632 CA GLU A 105 -8.318 -0.754 -11.779 1.00 0.00 C ATOM 1633 C GLU A 105 -7.884 -0.999 -13.198 1.00 0.00 C ATOM 1634 O GLU A 105 -8.348 -0.309 -14.100 1.00 0.00 O ATOM 1635 CB GLU A 105 -8.744 0.729 -11.565 1.00 0.00 C ATOM 1636 CG GLU A 105 -10.282 0.766 -11.514 1.00 0.00 C ATOM 1637 CD GLU A 105 -10.822 2.090 -11.986 1.00 0.00 C ATOM 1638 OE1 GLU A 105 -10.063 3.074 -12.050 1.00 0.00 O ATOM 1639 OE2 GLU A 105 -12.024 2.137 -12.295 1.00 0.00 O ATOM 0 H GLU A 105 -7.725 -1.523 -9.945 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.130 -1.474 -11.674 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.320 1.120 -10.640 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.372 1.356 -12.376 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.686 -0.034 -12.134 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.617 0.579 -10.494 1.00 0.00 H new ATOM 1646 N GLY A 106 -6.979 -1.990 -13.425 1.00 0.00 N ATOM 1647 CA GLY A 106 -6.563 -2.220 -14.770 1.00 0.00 C ATOM 1648 C GLY A 106 -5.323 -1.408 -15.151 1.00 0.00 C ATOM 1649 O GLY A 106 -4.909 -1.397 -16.322 1.00 0.00 O ATOM 0 H GLY A 106 -6.563 -2.593 -12.716 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -6.353 -3.281 -14.905 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.379 -1.968 -15.447 1.00 0.00 H new ATOM 1653 N VAL A 107 -4.763 -0.732 -14.127 1.00 0.00 N ATOM 1654 CA VAL A 107 -3.584 0.097 -14.278 1.00 0.00 C ATOM 1655 C VAL A 107 -2.434 -0.400 -13.429 1.00 0.00 C ATOM 1656 O VAL A 107 -2.727 -0.939 -12.371 1.00 0.00 O ATOM 1657 CB VAL A 107 -3.970 1.498 -13.782 1.00 0.00 C ATOM 1658 CG1 VAL A 107 -3.043 2.558 -14.329 1.00 0.00 C ATOM 1659 CG2 VAL A 107 -5.380 1.949 -14.167 1.00 0.00 C ATOM 0 H VAL A 107 -5.129 -0.756 -13.175 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.263 0.084 -15.319 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.904 1.401 -12.698 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.348 3.536 -13.956 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.022 2.349 -14.008 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.089 2.555 -15.418 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.562 2.949 -13.773 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.473 1.964 -15.253 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.110 1.256 -13.749 1.00 0.00 H new ATOM 1669 N GLU A 108 -1.195 -0.173 -13.970 1.00 0.00 N ATOM 1670 CA GLU A 108 -0.039 -0.631 -13.212 1.00 0.00 C ATOM 1671 C GLU A 108 0.643 0.602 -12.629 1.00 0.00 C ATOM 1672 O GLU A 108 1.259 1.340 -13.398 1.00 0.00 O ATOM 1673 CB GLU A 108 0.896 -1.488 -14.045 1.00 0.00 C ATOM 1674 CG GLU A 108 1.907 -2.183 -13.091 1.00 0.00 C ATOM 1675 CD GLU A 108 3.339 -1.872 -13.459 1.00 0.00 C ATOM 1676 OE1 GLU A 108 3.638 -0.721 -13.749 1.00 0.00 O ATOM 1677 OE2 GLU A 108 4.132 -2.831 -13.443 1.00 0.00 O ATOM 0 H GLU A 108 -1.002 0.289 -14.859 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.357 -1.289 -12.403 1.00 0.00 H new ATOM 0 HB2 GLU A 108 0.330 -2.232 -14.605 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.424 -0.874 -14.775 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.718 -1.862 -12.067 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.751 -3.261 -13.121 1.00 0.00 H new ATOM 1684 N ALA A 109 0.455 0.699 -11.287 1.00 0.00 N ATOM 1685 CA ALA A 109 1.036 1.797 -10.605 1.00 0.00 C ATOM 1686 C ALA A 109 1.725 1.375 -9.284 1.00 0.00 C ATOM 1687 O ALA A 109 1.178 0.586 -8.556 1.00 0.00 O ATOM 1688 CB ALA A 109 -0.188 2.568 -10.053 1.00 0.00 C ATOM 0 H ALA A 109 -0.075 0.044 -10.711 1.00 0.00 H new ATOM 0 HA ALA A 109 1.731 2.303 -11.275 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.152 3.445 -9.503 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -0.823 2.883 -10.881 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.756 1.919 -9.386 1.00 0.00 H new ATOM 1694 N LYS A 110 2.889 1.999 -9.162 1.00 0.00 N ATOM 1695 CA LYS A 110 3.669 1.727 -7.991 1.00 0.00 C ATOM 1696 C LYS A 110 4.164 3.017 -7.373 1.00 0.00 C ATOM 1697 O LYS A 110 3.946 4.096 -7.923 1.00 0.00 O ATOM 1698 CB LYS A 110 4.956 0.935 -8.366 1.00 0.00 C ATOM 1699 CG LYS A 110 5.156 0.931 -9.864 1.00 0.00 C ATOM 1700 CD LYS A 110 6.511 0.288 -10.269 1.00 0.00 C ATOM 1701 CE LYS A 110 7.327 1.008 -11.335 1.00 0.00 C ATOM 1702 NZ LYS A 110 7.166 0.427 -12.674 1.00 0.00 N ATOM 0 H LYS A 110 3.288 2.661 -9.828 1.00 0.00 H new ATOM 0 HA LYS A 110 3.029 1.167 -7.309 1.00 0.00 H new ATOM 0 HB2 LYS A 110 5.822 1.384 -7.879 1.00 0.00 H new ATOM 0 HB3 LYS A 110 4.880 -0.089 -8.000 1.00 0.00 H new ATOM 0 HG2 LYS A 110 4.340 0.385 -10.337 1.00 0.00 H new ATOM 0 HG3 LYS A 110 5.114 1.954 -10.238 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.126 0.201 -9.373 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.314 -0.725 -10.620 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.032 2.057 -11.363 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.381 0.980 -11.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.745 0.959 -13.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.473 -0.567 -12.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.166 0.477 -12.956 1.00 0.00 H new ATOM 1716 N ARG A 111 4.807 2.754 -6.249 1.00 0.00 N ATOM 1717 CA ARG A 111 5.379 3.882 -5.480 1.00 0.00 C ATOM 1718 C ARG A 111 6.708 3.232 -5.016 1.00 0.00 C ATOM 1719 O ARG A 111 6.704 2.126 -4.492 1.00 0.00 O ATOM 1720 CB ARG A 111 4.478 4.340 -4.348 1.00 0.00 C ATOM 1721 CG ARG A 111 3.485 5.446 -4.736 1.00 0.00 C ATOM 1722 CD ARG A 111 2.773 6.040 -3.525 1.00 0.00 C ATOM 1723 NE ARG A 111 2.174 7.268 -4.004 1.00 0.00 N ATOM 1724 CZ ARG A 111 1.038 7.268 -4.721 1.00 0.00 C ATOM 1725 NH1 ARG A 111 0.430 6.117 -5.017 1.00 0.00 N ATOM 1726 NH2 ARG A 111 0.446 8.379 -5.182 1.00 0.00 N ATOM 0 H ARG A 111 4.950 1.826 -5.851 1.00 0.00 H new ATOM 0 HA ARG A 111 5.509 4.811 -6.035 1.00 0.00 H new ATOM 0 HB2 ARG A 111 3.920 3.482 -3.974 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.099 4.698 -3.527 1.00 0.00 H new ATOM 0 HG2 ARG A 111 4.015 6.237 -5.266 1.00 0.00 H new ATOM 0 HG3 ARG A 111 2.745 5.040 -5.426 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.017 5.357 -3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.473 6.234 -2.712 1.00 0.00 H new ATOM 0 HE ARG A 111 2.627 8.157 -3.791 1.00 0.00 H new ATOM 0 HH11 ARG A 111 0.828 5.233 -4.699 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -0.432 6.121 -5.562 1.00 0.00 H new ATOM 0 HH21 ARG A 111 0.859 9.293 -4.993 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -0.417 8.311 -5.721 1.00 0.00 H new ATOM 1740 N ILE A 112 7.800 3.987 -5.247 1.00 0.00 N ATOM 1741 CA ILE A 112 9.054 3.379 -4.816 1.00 0.00 C ATOM 1742 C ILE A 112 9.383 3.673 -3.361 1.00 0.00 C ATOM 1743 O ILE A 112 9.264 4.806 -2.967 1.00 0.00 O ATOM 1744 CB ILE A 112 10.171 3.751 -5.788 1.00 0.00 C ATOM 1745 CG1 ILE A 112 11.282 2.659 -5.831 1.00 0.00 C ATOM 1746 CG2 ILE A 112 10.966 4.979 -5.427 1.00 0.00 C ATOM 1747 CD1 ILE A 112 12.455 2.918 -4.894 1.00 0.00 C ATOM 0 H ILE A 112 7.841 4.910 -5.678 1.00 0.00 H new ATOM 0 HA ILE A 112 8.942 2.295 -4.848 1.00 0.00 H new ATOM 0 HB ILE A 112 9.615 3.892 -6.715 1.00 0.00 H new ATOM 0 HG12 ILE A 112 10.838 1.696 -5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 112 11.658 2.580 -6.851 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.732 5.152 -6.183 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.301 5.842 -5.380 1.00 0.00 H new ATOM 0 HG23 ILE A 112 11.441 4.833 -4.457 1.00 0.00 H new ATOM 0 HD11 ILE A 112 13.181 2.110 -4.988 1.00 0.00 H new ATOM 0 HD12 ILE A 112 12.929 3.864 -5.157 1.00 0.00 H new ATOM 0 HD13 ILE A 112 12.096 2.966 -3.866 1.00 0.00 H new ATOM 1759 N PHE A 113 9.772 2.573 -2.742 1.00 0.00 N ATOM 1760 CA PHE A 113 10.146 2.582 -1.353 1.00 0.00 C ATOM 1761 C PHE A 113 11.233 1.514 -1.164 1.00 0.00 C ATOM 1762 O PHE A 113 11.837 1.229 -2.192 1.00 0.00 O ATOM 1763 CB PHE A 113 9.050 2.302 -0.345 1.00 0.00 C ATOM 1764 CG PHE A 113 7.684 2.779 -0.682 1.00 0.00 C ATOM 1765 CD1 PHE A 113 7.327 4.109 -0.609 1.00 0.00 C ATOM 1766 CD2 PHE A 113 6.683 1.889 -1.089 1.00 0.00 C ATOM 1767 CE1 PHE A 113 6.033 4.495 -0.938 1.00 0.00 C ATOM 1768 CE2 PHE A 113 5.447 2.407 -1.386 1.00 0.00 C ATOM 1769 CZ PHE A 113 5.156 3.761 -1.293 1.00 0.00 C ATOM 0 H PHE A 113 9.835 1.659 -3.190 1.00 0.00 H new ATOM 0 HA PHE A 113 10.464 3.604 -1.149 1.00 0.00 H new ATOM 0 HB2 PHE A 113 9.003 1.225 -0.187 1.00 0.00 H new ATOM 0 HB3 PHE A 113 9.341 2.751 0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 113 8.050 4.848 -0.297 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.877 0.829 -1.167 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.798 5.547 -0.867 1.00 0.00 H new ATOM 0 HE2 PHE A 113 4.667 1.732 -1.706 1.00 0.00 H new ATOM 0 HZ PHE A 113 4.173 4.139 -1.532 1.00 0.00 H new ATOM 1779 N LYS A 114 11.343 1.065 0.080 1.00 0.00 N ATOM 1780 CA LYS A 114 12.351 0.059 0.341 1.00 0.00 C ATOM 1781 C LYS A 114 12.166 -0.599 1.713 1.00 0.00 C ATOM 1782 O LYS A 114 11.084 -0.824 2.192 1.00 0.00 O ATOM 1783 CB LYS A 114 13.734 0.650 0.084 1.00 0.00 C ATOM 1784 CG LYS A 114 14.266 1.685 1.088 1.00 0.00 C ATOM 1785 CD LYS A 114 13.030 2.414 1.691 1.00 0.00 C ATOM 1786 CE LYS A 114 13.301 3.532 2.697 1.00 0.00 C ATOM 1787 NZ LYS A 114 12.151 4.391 2.929 1.00 0.00 N ATOM 0 H LYS A 114 10.782 1.362 0.878 1.00 0.00 H new ATOM 0 HA LYS A 114 12.237 -0.772 -0.355 1.00 0.00 H new ATOM 0 HB2 LYS A 114 14.448 -0.173 0.041 1.00 0.00 H new ATOM 0 HB3 LYS A 114 13.722 1.114 -0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 114 14.847 1.198 1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 114 14.929 2.395 0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 114 12.450 2.833 0.868 1.00 0.00 H new ATOM 0 HD3 LYS A 114 12.401 1.668 2.177 1.00 0.00 H new ATOM 0 HE2 LYS A 114 13.613 3.091 3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 114 14.132 4.139 2.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.270 4.894 3.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 12.072 5.081 2.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 11.288 3.812 2.967 1.00 0.00 H new ATOM 1801 N LYS A 115 13.312 -0.889 2.293 1.00 0.00 N ATOM 1802 CA LYS A 115 13.483 -1.519 3.595 1.00 0.00 C ATOM 1803 C LYS A 115 14.422 -0.752 4.465 1.00 0.00 C ATOM 1804 O LYS A 115 14.863 0.346 4.169 1.00 0.00 O ATOM 1805 CB LYS A 115 14.015 -2.921 3.244 1.00 0.00 C ATOM 1806 CG LYS A 115 13.680 -3.932 4.344 1.00 0.00 C ATOM 1807 CD LYS A 115 15.029 -4.513 4.818 1.00 0.00 C ATOM 1808 CE LYS A 115 14.941 -5.657 5.805 1.00 0.00 C ATOM 1809 NZ LYS A 115 16.219 -6.197 6.195 1.00 0.00 N ATOM 0 H LYS A 115 14.205 -0.681 1.845 1.00 0.00 H new ATOM 0 HA LYS A 115 12.561 -1.558 4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.583 -3.251 2.299 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.095 -2.878 3.103 1.00 0.00 H new ATOM 0 HG2 LYS A 115 13.152 -3.451 5.167 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.029 -4.719 3.964 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.584 -4.854 3.944 1.00 0.00 H new ATOM 0 HD3 LYS A 115 15.610 -3.710 5.272 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.416 -5.314 6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.340 -6.454 5.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.076 -6.975 6.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.715 -6.556 5.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.789 -5.451 6.642 1.00 0.00 H new ATOM 1823 N GLU A 116 14.755 -1.375 5.612 1.00 0.00 N ATOM 1824 CA GLU A 116 15.660 -0.772 6.560 1.00 0.00 C ATOM 1825 C GLU A 116 16.199 -1.794 7.565 1.00 0.00 C ATOM 1826 O GLU A 116 16.118 -2.998 7.348 1.00 0.00 O ATOM 1827 CB GLU A 116 14.887 0.346 7.305 1.00 0.00 C ATOM 1828 CG GLU A 116 13.788 -0.071 8.245 1.00 0.00 C ATOM 1829 CD GLU A 116 14.054 0.565 9.632 1.00 0.00 C ATOM 1830 OE1 GLU A 116 14.876 0.036 10.389 1.00 0.00 O ATOM 1831 OE2 GLU A 116 13.436 1.585 9.947 1.00 0.00 O ATOM 1832 OXT GLU A 116 16.717 -1.375 8.593 1.00 0.00 O ATOM 0 H GLU A 116 14.403 -2.292 5.887 1.00 0.00 H new ATOM 0 HA GLU A 116 16.520 -0.367 6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 116 15.610 0.932 7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 116 14.455 1.011 6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.820 0.251 7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 116 13.753 -1.157 8.328 1.00 0.00 H new