USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 753 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 86 ASN :FLIP amide:sc= -1.1 F(o=-5.5,f=-3.7) USER MOD Set 1.2: A 88 ASN : amide:sc= -2.63! C(o=-3.7!,f=-6.1!) USER MOD Set 2.1: A 4 LYS NZ :NH3+ 138:sc= -0.0282 (180deg=-4.83!) USER MOD Set 2.2: A 41 SER OG : rot 150:sc= 0 USER MOD Single : A 1 MET CE :methyl -158:sc= -19.4! (180deg=-22.8!) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.876 (180deg=-0.84) USER MOD Single : A 5 SER OG : rot 170:sc= -0.0522 USER MOD Single : A 6 GLN : amide:sc= -0.308 K(o=-0.31,f=-0.93) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0539 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.49 K(o=-1.5,f=-3.5!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -129:sc= -0.0288 (180deg=-0.206) USER MOD Single : A 24 ASN :FLIP amide:sc= -14.1! C(o=-18!,f=-14!) USER MOD Single : A 28 SER OG : rot 70:sc= -0.66! USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= -1.19 (180deg=-1.5!) USER MOD Single : A 33 GLN : amide:sc= -0.478 X(o=-0.48,f=0) USER MOD Single : A 34 CYS SG : rot 87:sc= -0.975 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 84:sc= 1.1 USER MOD Single : A 42 ASN : amide:sc= -0.128 K(o=-0.13,f=-0.94) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc=-0.00523 X(o=-0.0052,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot -23:sc= -4.35! USER MOD Single : A 52 SER OG : rot 102:sc= -0.693! USER MOD Single : A 55 SER OG : rot 180:sc= 0.142 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -50:sc= -2.72 USER MOD Single : A 73 MET CE :methyl -136:sc= -10.3! (180deg=-12.6!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 137:sc= 0.291 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.384 X(o=-0.38,f=0) USER MOD Single : A 81 GLN : amide:sc= -0.0728 K(o=-0.073,f=-0.94) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 93 LYS NZ :NH3+ -175:sc= -4.21! (180deg=-4.39!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 18:sc= -3.69! USER MOD Single : A 101 LYS NZ :NH3+ 146:sc= -0.196 (180deg=-1.59!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.848 6.176 14.126 1.00 0.00 N ATOM 2 CA MET A 1 4.807 6.753 12.755 1.00 0.00 C ATOM 3 C MET A 1 4.117 8.101 12.736 1.00 0.00 C ATOM 4 O MET A 1 3.140 8.315 13.452 1.00 0.00 O ATOM 5 CB MET A 1 4.053 5.805 11.829 1.00 0.00 C ATOM 6 CG MET A 1 2.832 5.194 12.466 1.00 0.00 C ATOM 7 SD MET A 1 3.208 3.617 13.223 1.00 0.00 S ATOM 8 CE MET A 1 3.439 2.680 11.723 1.00 0.00 C ATOM 0 H1 MET A 1 5.824 6.203 14.485 1.00 0.00 H new ATOM 0 H2 MET A 1 4.232 6.730 14.754 1.00 0.00 H new ATOM 0 H3 MET A 1 4.517 5.191 14.098 1.00 0.00 H new ATOM 0 HA MET A 1 5.835 6.886 12.419 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.753 6.347 10.932 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.725 5.008 11.511 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.434 5.874 13.219 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.055 5.061 11.713 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.297 1.619 11.931 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.714 3.004 10.976 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.448 2.843 11.344 1.00 0.00 H new ATOM 20 N ASP A 2 4.596 9.000 11.884 1.00 0.00 N ATOM 21 CA ASP A 2 3.965 10.299 11.766 1.00 0.00 C ATOM 22 C ASP A 2 2.572 10.089 11.191 1.00 0.00 C ATOM 23 O ASP A 2 2.282 9.033 10.633 1.00 0.00 O ATOM 24 CB ASP A 2 4.785 11.263 10.900 1.00 0.00 C ATOM 25 CG ASP A 2 6.283 11.055 11.040 1.00 0.00 C ATOM 26 OD1 ASP A 2 6.744 9.905 10.879 1.00 0.00 O ATOM 27 OD2 ASP A 2 6.996 12.045 11.311 1.00 0.00 O ATOM 0 H ASP A 2 5.403 8.854 11.278 1.00 0.00 H new ATOM 0 HA ASP A 2 3.902 10.763 12.750 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.502 11.135 9.855 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.539 12.289 11.174 1.00 0.00 H new ATOM 32 N ILE A 3 1.710 11.066 11.367 1.00 0.00 N ATOM 33 CA ILE A 3 0.329 10.966 10.916 1.00 0.00 C ATOM 34 C ILE A 3 0.170 10.412 9.502 1.00 0.00 C ATOM 35 O ILE A 3 -0.611 9.488 9.282 1.00 0.00 O ATOM 36 CB ILE A 3 -0.364 12.331 11.003 1.00 0.00 C ATOM 37 CG1 ILE A 3 -0.760 12.653 12.453 1.00 0.00 C ATOM 38 CG2 ILE A 3 -1.582 12.361 10.095 1.00 0.00 C ATOM 39 CD1 ILE A 3 0.102 11.978 13.505 1.00 0.00 C ATOM 0 H ILE A 3 1.939 11.949 11.823 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.142 10.249 11.589 1.00 0.00 H new ATOM 0 HB ILE A 3 0.338 13.095 10.669 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.711 13.732 12.599 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.798 12.357 12.607 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.065 13.336 10.166 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.272 12.184 9.065 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.284 11.585 10.402 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.248 12.261 14.498 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.035 10.896 13.391 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.139 12.292 13.382 1.00 0.00 H new ATOM 51 N LYS A 4 0.874 10.994 8.546 1.00 0.00 N ATOM 52 CA LYS A 4 0.760 10.561 7.156 1.00 0.00 C ATOM 53 C LYS A 4 0.829 9.037 7.052 1.00 0.00 C ATOM 54 O LYS A 4 0.012 8.413 6.374 1.00 0.00 O ATOM 55 CB LYS A 4 1.832 11.239 6.287 1.00 0.00 C ATOM 56 CG LYS A 4 3.177 10.532 6.260 1.00 0.00 C ATOM 57 CD LYS A 4 4.023 10.876 7.473 1.00 0.00 C ATOM 58 CE LYS A 4 4.558 9.626 8.149 1.00 0.00 C ATOM 59 NZ LYS A 4 6.018 9.722 8.424 1.00 0.00 N ATOM 0 H LYS A 4 1.527 11.762 8.701 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.215 10.869 6.777 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.457 11.314 5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.980 12.257 6.648 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.020 9.454 6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.714 10.809 5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.855 11.512 7.170 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.427 11.449 8.183 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.023 9.463 9.084 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.365 8.760 7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.219 9.341 9.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.542 9.174 7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.315 10.718 8.381 1.00 0.00 H new ATOM 73 N SER A 5 1.786 8.449 7.754 1.00 0.00 N ATOM 74 CA SER A 5 1.944 7.002 7.773 1.00 0.00 C ATOM 75 C SER A 5 1.037 6.392 8.836 1.00 0.00 C ATOM 76 O SER A 5 0.638 5.238 8.737 1.00 0.00 O ATOM 77 CB SER A 5 3.402 6.617 8.040 1.00 0.00 C ATOM 78 OG SER A 5 3.497 5.308 8.577 1.00 0.00 O ATOM 0 H SER A 5 2.468 8.954 8.320 1.00 0.00 H new ATOM 0 HA SER A 5 1.661 6.612 6.795 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.972 6.675 7.113 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.848 7.330 8.733 1.00 0.00 H new ATOM 0 HG SER A 5 4.436 5.026 8.588 1.00 0.00 H new ATOM 84 N GLN A 6 0.736 7.184 9.861 1.00 0.00 N ATOM 85 CA GLN A 6 -0.101 6.752 10.968 1.00 0.00 C ATOM 86 C GLN A 6 -1.489 6.355 10.525 1.00 0.00 C ATOM 87 O GLN A 6 -2.004 5.322 10.938 1.00 0.00 O ATOM 88 CB GLN A 6 -0.203 7.879 11.980 1.00 0.00 C ATOM 89 CG GLN A 6 0.067 7.437 13.384 1.00 0.00 C ATOM 90 CD GLN A 6 -0.555 8.349 14.419 1.00 0.00 C ATOM 91 OE1 GLN A 6 0.128 9.160 15.044 1.00 0.00 O ATOM 92 NE2 GLN A 6 -1.865 8.220 14.604 1.00 0.00 N ATOM 0 H GLN A 6 1.068 8.145 9.944 1.00 0.00 H new ATOM 0 HA GLN A 6 0.365 5.871 11.409 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.503 8.665 11.711 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -1.201 8.315 11.929 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.316 6.426 13.521 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.144 7.394 13.545 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.391 7.534 14.063 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.344 8.807 15.287 1.00 0.00 H new ATOM 101 N THR A 7 -2.099 7.178 9.703 1.00 0.00 N ATOM 102 CA THR A 7 -3.432 6.882 9.235 1.00 0.00 C ATOM 103 C THR A 7 -3.366 5.869 8.122 1.00 0.00 C ATOM 104 O THR A 7 -4.201 4.972 8.042 1.00 0.00 O ATOM 105 CB THR A 7 -4.180 8.134 8.810 1.00 0.00 C ATOM 106 OG1 THR A 7 -3.353 9.282 8.903 1.00 0.00 O ATOM 107 CG2 THR A 7 -5.399 8.362 9.668 1.00 0.00 C ATOM 0 H THR A 7 -1.699 8.047 9.349 1.00 0.00 H new ATOM 0 HA THR A 7 -3.998 6.456 10.063 1.00 0.00 H new ATOM 0 HB THR A 7 -4.483 7.979 7.774 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.859 10.073 8.622 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.912 9.265 9.338 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.072 7.509 9.578 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.095 8.476 10.709 1.00 0.00 H new ATOM 115 N LEU A 8 -2.331 5.968 7.298 1.00 0.00 N ATOM 116 CA LEU A 8 -2.147 4.992 6.248 1.00 0.00 C ATOM 117 C LEU A 8 -1.866 3.663 6.922 1.00 0.00 C ATOM 118 O LEU A 8 -2.289 2.605 6.457 1.00 0.00 O ATOM 119 CB LEU A 8 -1.009 5.402 5.293 1.00 0.00 C ATOM 120 CG LEU A 8 0.307 4.631 5.442 1.00 0.00 C ATOM 121 CD1 LEU A 8 0.177 3.224 4.878 1.00 0.00 C ATOM 122 CD2 LEU A 8 1.438 5.377 4.749 1.00 0.00 C ATOM 0 H LEU A 8 -1.623 6.701 7.339 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.041 4.919 5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.362 5.284 4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.804 6.462 5.439 1.00 0.00 H new ATOM 0 HG LEU A 8 0.538 4.552 6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.123 2.696 4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.606 2.688 5.414 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.080 3.278 3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.367 4.818 4.863 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.207 5.485 3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.552 6.364 5.198 1.00 0.00 H new ATOM 134 N TYR A 9 -1.185 3.748 8.062 1.00 0.00 N ATOM 135 CA TYR A 9 -0.885 2.585 8.856 1.00 0.00 C ATOM 136 C TYR A 9 -2.158 2.082 9.502 1.00 0.00 C ATOM 137 O TYR A 9 -2.632 0.987 9.223 1.00 0.00 O ATOM 138 CB TYR A 9 0.103 2.931 9.935 1.00 0.00 C ATOM 139 CG TYR A 9 0.312 1.816 10.915 1.00 0.00 C ATOM 140 CD1 TYR A 9 0.095 0.484 10.566 1.00 0.00 C ATOM 141 CD2 TYR A 9 0.762 2.105 12.177 1.00 0.00 C ATOM 142 CE1 TYR A 9 0.331 -0.524 11.485 1.00 0.00 C ATOM 143 CE2 TYR A 9 1.009 1.117 13.093 1.00 0.00 C ATOM 144 CZ TYR A 9 0.794 -0.202 12.747 1.00 0.00 C ATOM 145 OH TYR A 9 1.039 -1.199 13.661 1.00 0.00 O ATOM 0 H TYR A 9 -0.833 4.623 8.449 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.458 1.817 8.211 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.058 3.189 9.477 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.244 3.816 10.468 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.258 0.238 9.576 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.926 3.136 12.456 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.154 -1.555 11.218 1.00 0.00 H new ATOM 0 HE2 TYR A 9 1.370 1.368 14.080 1.00 0.00 H new ATOM 0 HH TYR A 9 1.361 -0.804 14.498 1.00 0.00 H new ATOM 155 N LEU A 10 -2.709 2.915 10.373 1.00 0.00 N ATOM 156 CA LEU A 10 -3.939 2.586 11.065 1.00 0.00 C ATOM 157 C LEU A 10 -4.978 2.128 10.061 1.00 0.00 C ATOM 158 O LEU A 10 -5.810 1.275 10.358 1.00 0.00 O ATOM 159 CB LEU A 10 -4.458 3.795 11.848 1.00 0.00 C ATOM 160 CG LEU A 10 -3.859 3.971 13.243 1.00 0.00 C ATOM 161 CD1 LEU A 10 -4.356 5.261 13.879 1.00 0.00 C ATOM 162 CD2 LEU A 10 -4.193 2.775 14.124 1.00 0.00 C ATOM 0 H LEU A 10 -2.319 3.826 10.615 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.741 1.781 11.773 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.259 4.696 11.268 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.540 3.709 11.943 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.775 4.032 13.146 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.919 5.369 14.872 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.063 6.109 13.259 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.442 5.231 13.962 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.758 2.919 15.113 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.275 2.680 14.214 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.785 1.868 13.677 1.00 0.00 H new ATOM 174 N ASN A 11 -4.901 2.676 8.851 1.00 0.00 N ATOM 175 CA ASN A 11 -5.819 2.286 7.803 1.00 0.00 C ATOM 176 C ASN A 11 -5.540 0.843 7.412 1.00 0.00 C ATOM 177 O ASN A 11 -6.454 0.089 7.077 1.00 0.00 O ATOM 178 CB ASN A 11 -5.684 3.202 6.584 1.00 0.00 C ATOM 179 CG ASN A 11 -6.513 4.465 6.715 1.00 0.00 C ATOM 180 OD1 ASN A 11 -7.447 4.529 7.514 1.00 0.00 O ATOM 181 ND2 ASN A 11 -6.174 5.480 5.927 1.00 0.00 N ATOM 0 H ASN A 11 -4.218 3.383 8.581 1.00 0.00 H new ATOM 0 HA ASN A 11 -6.840 2.377 8.174 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -4.636 3.471 6.449 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -5.992 2.660 5.690 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.695 6.356 5.970 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.392 5.384 5.279 1.00 0.00 H new ATOM 188 N LEU A 12 -4.263 0.457 7.484 1.00 0.00 N ATOM 189 CA LEU A 12 -3.863 -0.905 7.166 1.00 0.00 C ATOM 190 C LEU A 12 -4.606 -1.875 8.065 1.00 0.00 C ATOM 191 O LEU A 12 -5.311 -2.765 7.596 1.00 0.00 O ATOM 192 CB LEU A 12 -2.350 -1.099 7.317 1.00 0.00 C ATOM 193 CG LEU A 12 -1.524 -0.764 6.070 1.00 0.00 C ATOM 194 CD1 LEU A 12 -0.056 -0.600 6.432 1.00 0.00 C ATOM 195 CD2 LEU A 12 -1.692 -1.839 5.007 1.00 0.00 C ATOM 0 H LEU A 12 -3.496 1.070 7.759 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.118 -1.100 6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.000 -0.479 8.143 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.158 -2.136 7.593 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.889 0.179 5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.516 -0.362 5.535 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.052 0.208 7.156 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.318 -1.528 6.865 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.097 -1.581 4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.357 -2.798 5.403 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.742 -1.910 4.724 1.00 0.00 H new ATOM 207 N SER A 13 -4.460 -1.677 9.365 1.00 0.00 N ATOM 208 CA SER A 13 -5.125 -2.517 10.343 1.00 0.00 C ATOM 209 C SER A 13 -6.631 -2.470 10.162 1.00 0.00 C ATOM 210 O SER A 13 -7.308 -3.495 10.216 1.00 0.00 O ATOM 211 CB SER A 13 -4.763 -2.056 11.752 1.00 0.00 C ATOM 212 OG SER A 13 -3.464 -2.490 12.115 1.00 0.00 O ATOM 0 H SER A 13 -3.884 -0.938 9.767 1.00 0.00 H new ATOM 0 HA SER A 13 -4.791 -3.544 10.197 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.814 -0.969 11.806 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.491 -2.445 12.463 1.00 0.00 H new ATOM 0 HG SER A 13 -3.257 -2.180 13.021 1.00 0.00 H new ATOM 218 N GLU A 14 -7.141 -1.271 9.948 1.00 0.00 N ATOM 219 CA GLU A 14 -8.569 -1.074 9.757 1.00 0.00 C ATOM 220 C GLU A 14 -9.050 -1.773 8.498 1.00 0.00 C ATOM 221 O GLU A 14 -10.185 -2.244 8.427 1.00 0.00 O ATOM 222 CB GLU A 14 -8.907 0.414 9.676 1.00 0.00 C ATOM 223 CG GLU A 14 -8.404 1.218 10.860 1.00 0.00 C ATOM 224 CD GLU A 14 -9.519 1.642 11.796 1.00 0.00 C ATOM 225 OE1 GLU A 14 -10.344 0.780 12.167 1.00 0.00 O ATOM 226 OE2 GLU A 14 -9.570 2.836 12.157 1.00 0.00 O ATOM 0 H GLU A 14 -6.587 -0.416 9.902 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.078 -1.507 10.618 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.481 0.825 8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.989 0.529 9.603 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.676 0.625 11.414 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.883 2.104 10.497 1.00 0.00 H new ATOM 233 N ALA A 15 -8.177 -1.847 7.508 1.00 0.00 N ATOM 234 CA ALA A 15 -8.513 -2.506 6.259 1.00 0.00 C ATOM 235 C ALA A 15 -8.402 -3.994 6.390 1.00 0.00 C ATOM 236 O ALA A 15 -9.287 -4.740 5.996 1.00 0.00 O ATOM 237 CB ALA A 15 -7.636 -2.042 5.141 1.00 0.00 C ATOM 0 H ALA A 15 -7.234 -1.460 7.545 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.545 -2.241 6.028 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.916 -2.556 4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.756 -0.967 5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.596 -2.264 5.379 1.00 0.00 H new ATOM 243 N TYR A 16 -7.284 -4.417 6.943 1.00 0.00 N ATOM 244 CA TYR A 16 -7.030 -5.817 7.140 1.00 0.00 C ATOM 245 C TYR A 16 -8.190 -6.440 7.911 1.00 0.00 C ATOM 246 O TYR A 16 -8.491 -7.624 7.764 1.00 0.00 O ATOM 247 CB TYR A 16 -5.717 -5.979 7.875 1.00 0.00 C ATOM 248 CG TYR A 16 -5.730 -7.130 8.805 1.00 0.00 C ATOM 249 CD1 TYR A 16 -5.559 -8.399 8.317 1.00 0.00 C ATOM 250 CD2 TYR A 16 -5.931 -6.940 10.147 1.00 0.00 C ATOM 251 CE1 TYR A 16 -5.579 -9.490 9.142 1.00 0.00 C ATOM 252 CE2 TYR A 16 -5.956 -8.024 11.010 1.00 0.00 C ATOM 253 CZ TYR A 16 -5.779 -9.303 10.500 1.00 0.00 C ATOM 254 OH TYR A 16 -5.802 -10.389 11.346 1.00 0.00 O ATOM 0 H TYR A 16 -6.536 -3.802 7.264 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.952 -6.332 6.183 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.912 -6.109 7.151 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.501 -5.067 8.432 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.405 -8.541 7.258 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.071 -5.941 10.534 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.441 -10.483 8.740 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.112 -7.875 12.068 1.00 0.00 H new ATOM 0 HH TYR A 16 -5.951 -10.084 12.265 1.00 0.00 H new ATOM 264 N LYS A 17 -8.861 -5.610 8.701 1.00 0.00 N ATOM 265 CA LYS A 17 -10.013 -6.055 9.452 1.00 0.00 C ATOM 266 C LYS A 17 -11.273 -5.883 8.603 1.00 0.00 C ATOM 267 O LYS A 17 -12.391 -6.042 9.094 1.00 0.00 O ATOM 268 CB LYS A 17 -10.144 -5.296 10.777 1.00 0.00 C ATOM 269 CG LYS A 17 -10.353 -3.803 10.612 1.00 0.00 C ATOM 270 CD LYS A 17 -10.613 -3.122 11.946 1.00 0.00 C ATOM 271 CE LYS A 17 -9.345 -3.032 12.780 1.00 0.00 C ATOM 272 NZ LYS A 17 -9.599 -3.341 14.213 1.00 0.00 N ATOM 0 H LYS A 17 -8.622 -4.627 8.833 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.883 -7.110 9.694 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.980 -5.710 11.340 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.246 -5.464 11.371 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.473 -3.362 10.143 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.194 -3.625 9.942 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.009 -2.121 11.774 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.374 -3.675 12.496 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.602 -3.725 12.386 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.924 -2.030 12.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.709 -3.269 14.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.289 -2.664 14.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.976 -4.306 14.298 1.00 0.00 H new ATOM 286 N ASP A 18 -11.078 -5.581 7.315 1.00 0.00 N ATOM 287 CA ASP A 18 -12.188 -5.419 6.395 1.00 0.00 C ATOM 288 C ASP A 18 -12.852 -6.778 6.189 1.00 0.00 C ATOM 289 O ASP A 18 -12.183 -7.746 5.842 1.00 0.00 O ATOM 290 CB ASP A 18 -11.722 -4.861 5.057 1.00 0.00 C ATOM 291 CG ASP A 18 -12.825 -4.836 4.015 1.00 0.00 C ATOM 292 OD1 ASP A 18 -13.037 -5.871 3.349 1.00 0.00 O ATOM 293 OD2 ASP A 18 -13.477 -3.781 3.865 1.00 0.00 O ATOM 0 H ASP A 18 -10.159 -5.446 6.894 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.898 -4.709 6.819 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.343 -3.850 5.202 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.892 -5.463 4.687 1.00 0.00 H new ATOM 298 N PRO A 19 -14.160 -6.878 6.427 1.00 0.00 N ATOM 299 CA PRO A 19 -14.902 -8.142 6.299 1.00 0.00 C ATOM 300 C PRO A 19 -14.640 -8.901 5.001 1.00 0.00 C ATOM 301 O PRO A 19 -14.811 -10.121 4.954 1.00 0.00 O ATOM 302 CB PRO A 19 -16.350 -7.683 6.387 1.00 0.00 C ATOM 303 CG PRO A 19 -16.273 -6.503 7.283 1.00 0.00 C ATOM 304 CD PRO A 19 -15.031 -5.778 6.874 1.00 0.00 C ATOM 0 HA PRO A 19 -14.604 -8.860 7.063 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.750 -7.421 5.408 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.995 -8.460 6.797 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -17.153 -5.869 7.174 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.225 -6.806 8.329 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.223 -5.061 6.076 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.592 -5.223 7.703 1.00 0.00 H new ATOM 312 N GLU A 20 -14.207 -8.205 3.957 1.00 0.00 N ATOM 313 CA GLU A 20 -13.913 -8.858 2.698 1.00 0.00 C ATOM 314 C GLU A 20 -12.417 -8.980 2.510 1.00 0.00 C ATOM 315 O GLU A 20 -11.912 -9.277 1.427 1.00 0.00 O ATOM 316 CB GLU A 20 -14.537 -8.084 1.571 1.00 0.00 C ATOM 317 CG GLU A 20 -16.033 -8.240 1.553 1.00 0.00 C ATOM 318 CD GLU A 20 -16.628 -8.111 0.165 1.00 0.00 C ATOM 319 OE1 GLU A 20 -16.717 -6.971 -0.339 1.00 0.00 O ATOM 320 OE2 GLU A 20 -17.002 -9.150 -0.419 1.00 0.00 O ATOM 0 H GLU A 20 -14.054 -7.197 3.961 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.334 -9.863 2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.282 -7.029 1.669 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.124 -8.425 0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.296 -9.214 1.965 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.479 -7.488 2.204 1.00 0.00 H new ATOM 327 N VAL A 21 -11.744 -8.813 3.621 1.00 0.00 N ATOM 328 CA VAL A 21 -10.315 -8.955 3.720 1.00 0.00 C ATOM 329 C VAL A 21 -10.072 -10.081 4.705 1.00 0.00 C ATOM 330 O VAL A 21 -9.216 -10.941 4.508 1.00 0.00 O ATOM 331 CB VAL A 21 -9.634 -7.659 4.188 1.00 0.00 C ATOM 332 CG1 VAL A 21 -8.197 -7.909 4.628 1.00 0.00 C ATOM 333 CG2 VAL A 21 -9.686 -6.610 3.083 1.00 0.00 C ATOM 0 H VAL A 21 -12.189 -8.568 4.506 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.885 -9.175 2.743 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.179 -7.285 5.055 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.747 -6.971 4.952 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.188 -8.620 5.454 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.626 -8.315 3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.201 -5.696 3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.169 -6.986 2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.725 -6.397 2.832 1.00 0.00 H new ATOM 343 N LYS A 22 -10.912 -10.103 5.741 1.00 0.00 N ATOM 344 CA LYS A 22 -10.880 -11.155 6.730 1.00 0.00 C ATOM 345 C LYS A 22 -10.988 -12.481 6.005 1.00 0.00 C ATOM 346 O LYS A 22 -10.421 -13.493 6.417 1.00 0.00 O ATOM 347 CB LYS A 22 -12.078 -11.026 7.679 1.00 0.00 C ATOM 348 CG LYS A 22 -12.405 -9.613 8.099 1.00 0.00 C ATOM 349 CD LYS A 22 -11.225 -8.918 8.756 1.00 0.00 C ATOM 350 CE LYS A 22 -10.477 -9.837 9.715 1.00 0.00 C ATOM 351 NZ LYS A 22 -11.354 -10.321 10.817 1.00 0.00 N ATOM 0 H LYS A 22 -11.625 -9.393 5.908 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.956 -11.089 7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.954 -11.458 7.196 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.881 -11.619 8.572 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.721 -9.041 7.226 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.246 -9.628 8.792 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.540 -8.564 7.986 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.578 -8.040 9.297 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.080 -10.690 9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.624 -9.305 10.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.888 -10.152 11.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.259 -9.810 10.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.528 -11.340 10.700 1.00 0.00 H new ATOM 365 N ALA A 23 -11.743 -12.447 4.909 1.00 0.00 N ATOM 366 CA ALA A 23 -11.964 -13.621 4.093 1.00 0.00 C ATOM 367 C ALA A 23 -10.713 -13.999 3.328 1.00 0.00 C ATOM 368 O ALA A 23 -10.485 -15.173 3.039 1.00 0.00 O ATOM 369 CB ALA A 23 -13.127 -13.392 3.139 1.00 0.00 C ATOM 0 H ALA A 23 -12.212 -11.607 4.570 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.214 -14.450 4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.281 -14.284 2.532 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.031 -13.182 3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.904 -12.545 2.490 1.00 0.00 H new ATOM 375 N ASN A 24 -9.900 -13.004 2.989 1.00 0.00 N ATOM 376 CA ASN A 24 -8.686 -13.269 2.250 1.00 0.00 C ATOM 377 C ASN A 24 -7.459 -13.313 3.154 1.00 0.00 C ATOM 378 O ASN A 24 -7.327 -12.530 4.094 1.00 0.00 O ATOM 379 CB ASN A 24 -8.511 -12.271 1.111 1.00 0.00 C ATOM 380 CG ASN A 24 -8.772 -10.838 1.510 1.00 0.00 C ATOM 381 OD1 ASN A 24 -8.005 -10.341 2.470 1.00 0.00 O flip ATOM 382 ND2 ASN A 24 -9.649 -10.180 0.951 1.00 0.00 N flip ATOM 0 H ASN A 24 -10.062 -12.022 3.213 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.784 -14.262 1.812 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.495 -12.351 0.723 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.185 -12.540 0.298 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.215 -10.605 0.217 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.809 -9.210 1.222 1.00 0.00 H new ATOM 389 N GLU A 25 -6.574 -14.268 2.864 1.00 0.00 N ATOM 390 CA GLU A 25 -5.358 -14.471 3.644 1.00 0.00 C ATOM 391 C GLU A 25 -4.254 -13.497 3.261 1.00 0.00 C ATOM 392 O GLU A 25 -3.939 -12.575 4.008 1.00 0.00 O ATOM 393 CB GLU A 25 -4.863 -15.908 3.467 1.00 0.00 C ATOM 394 CG GLU A 25 -4.983 -16.754 4.724 1.00 0.00 C ATOM 395 CD GLU A 25 -4.752 -18.227 4.456 1.00 0.00 C ATOM 396 OE1 GLU A 25 -4.076 -18.551 3.457 1.00 0.00 O ATOM 397 OE2 GLU A 25 -5.247 -19.059 5.246 1.00 0.00 O ATOM 0 H GLU A 25 -6.681 -14.918 2.085 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.608 -14.286 4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.429 -16.382 2.665 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.820 -15.887 3.152 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.262 -16.405 5.463 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.974 -16.618 5.157 1.00 0.00 H new ATOM 404 N PHE A 26 -3.655 -13.729 2.104 1.00 0.00 N ATOM 405 CA PHE A 26 -2.555 -12.894 1.622 1.00 0.00 C ATOM 406 C PHE A 26 -2.905 -11.418 1.698 1.00 0.00 C ATOM 407 O PHE A 26 -2.103 -10.605 2.146 1.00 0.00 O ATOM 408 CB PHE A 26 -2.205 -13.247 0.177 1.00 0.00 C ATOM 409 CG PHE A 26 -1.954 -14.706 -0.045 1.00 0.00 C ATOM 410 CD1 PHE A 26 -0.749 -15.277 0.324 1.00 0.00 C ATOM 411 CD2 PHE A 26 -2.922 -15.503 -0.627 1.00 0.00 C ATOM 412 CE1 PHE A 26 -0.513 -16.620 0.117 1.00 0.00 C ATOM 413 CE2 PHE A 26 -2.694 -16.847 -0.838 1.00 0.00 C ATOM 414 CZ PHE A 26 -1.487 -17.409 -0.466 1.00 0.00 C ATOM 0 H PHE A 26 -3.910 -14.491 1.475 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.697 -13.087 2.266 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.018 -12.925 -0.473 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.319 -12.686 -0.120 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.015 -14.664 0.779 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.867 -15.069 -0.920 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.431 -17.055 0.410 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.458 -17.460 -1.293 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.306 -18.461 -0.630 1.00 0.00 H new ATOM 424 N LEU A 27 -4.100 -11.078 1.248 1.00 0.00 N ATOM 425 CA LEU A 27 -4.554 -9.703 1.258 1.00 0.00 C ATOM 426 C LEU A 27 -4.508 -9.106 2.661 1.00 0.00 C ATOM 427 O LEU A 27 -3.922 -8.042 2.862 1.00 0.00 O ATOM 428 CB LEU A 27 -5.961 -9.638 0.693 1.00 0.00 C ATOM 429 CG LEU A 27 -6.037 -9.742 -0.822 1.00 0.00 C ATOM 430 CD1 LEU A 27 -5.707 -11.159 -1.270 1.00 0.00 C ATOM 431 CD2 LEU A 27 -7.412 -9.311 -1.318 1.00 0.00 C ATOM 0 H LEU A 27 -4.776 -11.742 0.869 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.883 -9.110 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.552 -10.443 1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.421 -8.700 1.004 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.299 -9.069 -1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.765 -11.220 -2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.699 -11.418 -0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.420 -11.855 -0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.449 -9.392 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.175 -9.955 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.597 -8.278 -1.024 1.00 0.00 H new ATOM 443 N SER A 28 -5.111 -9.786 3.641 1.00 0.00 N ATOM 444 CA SER A 28 -5.097 -9.288 4.996 1.00 0.00 C ATOM 445 C SER A 28 -3.710 -9.454 5.590 1.00 0.00 C ATOM 446 O SER A 28 -3.129 -8.503 6.110 1.00 0.00 O ATOM 447 CB SER A 28 -6.165 -10.001 5.827 1.00 0.00 C ATOM 448 OG SER A 28 -5.591 -10.941 6.718 1.00 0.00 O ATOM 0 H SER A 28 -5.605 -10.669 3.513 1.00 0.00 H new ATOM 0 HA SER A 28 -5.335 -8.224 5.001 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.738 -9.266 6.392 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.865 -10.508 5.163 1.00 0.00 H new ATOM 0 HG SER A 28 -5.107 -10.467 7.426 1.00 0.00 H new ATOM 454 N LYS A 29 -3.171 -10.656 5.472 1.00 0.00 N ATOM 455 CA LYS A 29 -1.830 -10.947 5.970 1.00 0.00 C ATOM 456 C LYS A 29 -0.840 -9.906 5.464 1.00 0.00 C ATOM 457 O LYS A 29 -0.003 -9.417 6.220 1.00 0.00 O ATOM 458 CB LYS A 29 -1.382 -12.344 5.541 1.00 0.00 C ATOM 459 CG LYS A 29 -1.684 -13.421 6.569 1.00 0.00 C ATOM 460 CD LYS A 29 -1.303 -14.801 6.060 1.00 0.00 C ATOM 461 CE LYS A 29 -2.021 -15.132 4.762 1.00 0.00 C ATOM 462 NZ LYS A 29 -1.828 -16.554 4.365 1.00 0.00 N ATOM 0 H LYS A 29 -3.640 -11.450 5.035 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.858 -10.911 7.059 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.872 -12.602 4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.310 -12.329 5.347 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.140 -13.209 7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.746 -13.403 6.815 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.225 -14.848 5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.548 -15.549 6.814 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.086 -14.928 4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.654 -14.481 3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.139 -16.685 3.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.822 -16.803 4.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.388 -17.168 4.990 1.00 0.00 H new ATOM 476 N LEU A 30 -0.944 -9.557 4.182 1.00 0.00 N ATOM 477 CA LEU A 30 -0.058 -8.562 3.605 1.00 0.00 C ATOM 478 C LEU A 30 -0.239 -7.229 4.308 1.00 0.00 C ATOM 479 O LEU A 30 0.724 -6.633 4.780 1.00 0.00 O ATOM 480 CB LEU A 30 -0.315 -8.419 2.117 1.00 0.00 C ATOM 481 CG LEU A 30 0.492 -9.376 1.241 1.00 0.00 C ATOM 482 CD1 LEU A 30 1.634 -8.638 0.561 1.00 0.00 C ATOM 483 CD2 LEU A 30 1.025 -10.557 2.048 1.00 0.00 C ATOM 0 H LEU A 30 -1.628 -9.947 3.533 1.00 0.00 H new ATOM 0 HA LEU A 30 0.972 -8.891 3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.376 -8.580 1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.089 -7.395 1.819 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.177 -9.771 0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.199 -9.334 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.231 -7.840 -0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.292 -8.210 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.594 -11.217 1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.672 -10.191 2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.190 -11.107 2.482 1.00 0.00 H new ATOM 495 N VAL A 31 -1.486 -6.784 4.406 1.00 0.00 N ATOM 496 CA VAL A 31 -1.789 -5.538 5.094 1.00 0.00 C ATOM 497 C VAL A 31 -1.264 -5.616 6.521 1.00 0.00 C ATOM 498 O VAL A 31 -0.796 -4.626 7.084 1.00 0.00 O ATOM 499 CB VAL A 31 -3.304 -5.263 5.120 1.00 0.00 C ATOM 500 CG1 VAL A 31 -3.619 -4.068 6.007 1.00 0.00 C ATOM 501 CG2 VAL A 31 -3.833 -5.048 3.708 1.00 0.00 C ATOM 0 H VAL A 31 -2.298 -7.265 4.020 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.307 -4.722 4.555 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.805 -6.135 5.541 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.695 -3.891 6.011 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.281 -4.270 7.023 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.108 -3.185 5.623 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.905 -4.855 3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.327 -4.195 3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.646 -5.940 3.110 1.00 0.00 H new ATOM 511 N VAL A 32 -1.333 -6.818 7.085 1.00 0.00 N ATOM 512 CA VAL A 32 -0.854 -7.068 8.434 1.00 0.00 C ATOM 513 C VAL A 32 0.651 -6.894 8.496 1.00 0.00 C ATOM 514 O VAL A 32 1.160 -5.969 9.127 1.00 0.00 O ATOM 515 CB VAL A 32 -1.224 -8.489 8.892 1.00 0.00 C ATOM 516 CG1 VAL A 32 -0.840 -8.702 10.346 1.00 0.00 C ATOM 517 CG2 VAL A 32 -2.708 -8.750 8.669 1.00 0.00 C ATOM 0 H VAL A 32 -1.721 -7.639 6.621 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.331 -6.349 9.100 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.662 -9.205 8.292 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.111 -9.713 10.649 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.235 -8.563 10.462 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.368 -7.982 10.971 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.953 -9.760 8.998 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.294 -8.030 9.240 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.940 -8.648 7.609 1.00 0.00 H new ATOM 527 N GLN A 33 1.355 -7.778 7.809 1.00 0.00 N ATOM 528 CA GLN A 33 2.811 -7.716 7.750 1.00 0.00 C ATOM 529 C GLN A 33 3.229 -6.304 7.363 1.00 0.00 C ATOM 530 O GLN A 33 4.005 -5.650 8.059 1.00 0.00 O ATOM 531 CB GLN A 33 3.350 -8.758 6.752 1.00 0.00 C ATOM 532 CG GLN A 33 4.115 -8.172 5.572 1.00 0.00 C ATOM 533 CD GLN A 33 4.801 -9.235 4.737 1.00 0.00 C ATOM 534 OE1 GLN A 33 6.030 -9.276 4.650 1.00 0.00 O ATOM 535 NE2 GLN A 33 4.012 -10.102 4.116 1.00 0.00 N ATOM 0 H GLN A 33 0.944 -8.549 7.283 1.00 0.00 H new ATOM 0 HA GLN A 33 3.234 -7.952 8.726 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.004 -9.448 7.285 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.513 -9.343 6.371 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.427 -7.608 4.942 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.861 -7.467 5.941 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.999 -10.032 4.215 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.418 -10.839 3.539 1.00 0.00 H new ATOM 544 N CYS A 34 2.669 -5.844 6.256 1.00 0.00 N ATOM 545 CA CYS A 34 2.928 -4.505 5.749 1.00 0.00 C ATOM 546 C CYS A 34 2.705 -3.474 6.854 1.00 0.00 C ATOM 547 O CYS A 34 3.408 -2.466 6.933 1.00 0.00 O ATOM 548 CB CYS A 34 2.011 -4.194 4.565 1.00 0.00 C ATOM 549 SG CYS A 34 2.449 -5.068 3.042 1.00 0.00 S ATOM 0 H CYS A 34 2.023 -6.387 5.684 1.00 0.00 H new ATOM 0 HA CYS A 34 3.964 -4.458 5.415 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.986 -4.449 4.836 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.033 -3.121 4.375 1.00 0.00 H new ATOM 0 HG CYS A 34 1.874 -6.234 3.030 1.00 0.00 H new ATOM 555 N ALA A 35 1.724 -3.743 7.717 1.00 0.00 N ATOM 556 CA ALA A 35 1.412 -2.847 8.823 1.00 0.00 C ATOM 557 C ALA A 35 2.581 -2.758 9.793 1.00 0.00 C ATOM 558 O ALA A 35 2.910 -1.684 10.297 1.00 0.00 O ATOM 559 CB ALA A 35 0.153 -3.306 9.544 1.00 0.00 C ATOM 0 H ALA A 35 1.135 -4.574 7.668 1.00 0.00 H new ATOM 0 HA ALA A 35 1.232 -1.852 8.415 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.064 -2.625 10.367 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.684 -3.311 8.846 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.304 -4.312 9.936 1.00 0.00 H new ATOM 565 N GLY A 36 3.204 -3.897 10.040 1.00 0.00 N ATOM 566 CA GLY A 36 4.341 -3.947 10.941 1.00 0.00 C ATOM 567 C GLY A 36 5.558 -3.253 10.366 1.00 0.00 C ATOM 568 O GLY A 36 6.472 -2.871 11.098 1.00 0.00 O ATOM 0 H GLY A 36 2.943 -4.795 9.632 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.072 -3.480 11.888 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.586 -4.987 11.157 1.00 0.00 H new ATOM 572 N LYS A 37 5.564 -3.090 9.050 1.00 0.00 N ATOM 573 CA LYS A 37 6.664 -2.437 8.358 1.00 0.00 C ATOM 574 C LYS A 37 6.583 -0.930 8.543 1.00 0.00 C ATOM 575 O LYS A 37 7.599 -0.243 8.639 1.00 0.00 O ATOM 576 CB LYS A 37 6.638 -2.787 6.871 1.00 0.00 C ATOM 577 CG LYS A 37 6.091 -4.176 6.595 1.00 0.00 C ATOM 578 CD LYS A 37 6.812 -5.237 7.407 1.00 0.00 C ATOM 579 CE LYS A 37 7.840 -5.951 6.566 1.00 0.00 C ATOM 580 NZ LYS A 37 8.465 -7.091 7.291 1.00 0.00 N ATOM 0 H LYS A 37 4.812 -3.404 8.437 1.00 0.00 H new ATOM 0 HA LYS A 37 7.602 -2.792 8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.031 -2.052 6.342 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.649 -2.715 6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.027 -4.201 6.828 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.190 -4.401 5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.297 -4.775 8.267 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.091 -5.956 7.795 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.370 -6.317 5.653 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.614 -5.245 6.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.165 -7.552 6.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.937 -6.740 8.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.731 -7.778 7.556 1.00 0.00 H new ATOM 594 N LEU A 38 5.355 -0.432 8.605 1.00 0.00 N ATOM 595 CA LEU A 38 5.108 0.992 8.794 1.00 0.00 C ATOM 596 C LEU A 38 5.592 1.437 10.161 1.00 0.00 C ATOM 597 O LEU A 38 6.205 2.494 10.295 1.00 0.00 O ATOM 598 CB LEU A 38 3.611 1.292 8.649 1.00 0.00 C ATOM 599 CG LEU A 38 3.086 1.388 7.211 1.00 0.00 C ATOM 600 CD1 LEU A 38 3.042 2.838 6.756 1.00 0.00 C ATOM 601 CD2 LEU A 38 3.934 0.552 6.260 1.00 0.00 C ATOM 0 H LEU A 38 4.509 -0.997 8.527 1.00 0.00 H new ATOM 0 HA LEU A 38 5.658 1.542 8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.052 0.514 9.169 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.397 2.232 9.157 1.00 0.00 H new ATOM 0 HG LEU A 38 2.072 0.989 7.194 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.667 2.887 5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.382 3.405 7.412 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.045 3.262 6.795 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.539 0.639 5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.963 0.910 6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.908 -0.492 6.571 1.00 0.00 H new ATOM 613 N THR A 39 5.307 0.630 11.183 1.00 0.00 N ATOM 614 CA THR A 39 5.712 0.952 12.549 1.00 0.00 C ATOM 615 C THR A 39 7.174 1.372 12.596 1.00 0.00 C ATOM 616 O THR A 39 7.575 2.160 13.452 1.00 0.00 O ATOM 617 CB THR A 39 5.444 -0.226 13.482 1.00 0.00 C ATOM 618 OG1 THR A 39 4.983 -1.354 12.759 1.00 0.00 O ATOM 619 CG2 THR A 39 4.422 0.087 14.545 1.00 0.00 C ATOM 0 H THR A 39 4.798 -0.249 11.090 1.00 0.00 H new ATOM 0 HA THR A 39 5.114 1.795 12.894 1.00 0.00 H new ATOM 0 HB THR A 39 6.399 -0.438 13.962 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.749 -1.846 12.397 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.274 -0.789 15.177 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.774 0.919 15.155 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.477 0.357 14.073 1.00 0.00 H new ATOM 627 N ALA A 40 7.954 0.878 11.647 1.00 0.00 N ATOM 628 CA ALA A 40 9.352 1.242 11.555 1.00 0.00 C ATOM 629 C ALA A 40 9.516 2.366 10.547 1.00 0.00 C ATOM 630 O ALA A 40 10.515 2.435 9.830 1.00 0.00 O ATOM 631 CB ALA A 40 10.215 0.057 11.153 1.00 0.00 C ATOM 0 H ALA A 40 7.639 0.224 10.931 1.00 0.00 H new ATOM 0 HA ALA A 40 9.682 1.573 12.540 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.258 0.369 11.094 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.115 -0.735 11.895 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.892 -0.315 10.180 1.00 0.00 H new ATOM 637 N SER A 41 8.517 3.241 10.486 1.00 0.00 N ATOM 638 CA SER A 41 8.536 4.357 9.555 1.00 0.00 C ATOM 639 C SER A 41 9.838 5.131 9.675 1.00 0.00 C ATOM 640 O SER A 41 10.276 5.776 8.722 1.00 0.00 O ATOM 641 CB SER A 41 7.324 5.258 9.779 1.00 0.00 C ATOM 642 OG SER A 41 7.478 6.501 9.114 1.00 0.00 O ATOM 0 H SER A 41 7.684 3.196 11.073 1.00 0.00 H new ATOM 0 HA SER A 41 8.477 3.968 8.539 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.425 4.759 9.418 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.187 5.429 10.847 1.00 0.00 H new ATOM 0 HG SER A 41 6.598 6.844 8.854 1.00 0.00 H new ATOM 648 N ASN A 42 10.490 5.020 10.833 1.00 0.00 N ATOM 649 CA ASN A 42 11.779 5.664 11.035 1.00 0.00 C ATOM 650 C ASN A 42 12.701 5.280 9.882 1.00 0.00 C ATOM 651 O ASN A 42 13.578 6.043 9.478 1.00 0.00 O ATOM 652 CB ASN A 42 12.384 5.227 12.367 1.00 0.00 C ATOM 653 CG ASN A 42 13.088 6.362 13.086 1.00 0.00 C ATOM 654 OD1 ASN A 42 12.629 7.503 13.069 1.00 0.00 O ATOM 655 ND2 ASN A 42 14.211 6.050 13.723 1.00 0.00 N ATOM 0 H ASN A 42 10.147 4.494 11.636 1.00 0.00 H new ATOM 0 HA ASN A 42 11.652 6.746 11.060 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.596 4.829 13.007 1.00 0.00 H new ATOM 0 HB3 ASN A 42 13.092 4.417 12.192 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.730 6.771 14.225 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.555 5.090 13.710 1.00 0.00 H new ATOM 662 N SER A 43 12.444 4.093 9.331 1.00 0.00 N ATOM 663 CA SER A 43 13.169 3.583 8.204 1.00 0.00 C ATOM 664 C SER A 43 12.312 3.801 6.970 1.00 0.00 C ATOM 665 O SER A 43 11.824 2.850 6.359 1.00 0.00 O ATOM 666 CB SER A 43 13.478 2.093 8.384 1.00 0.00 C ATOM 667 OG SER A 43 14.651 1.728 7.677 1.00 0.00 O ATOM 0 H SER A 43 11.716 3.465 9.670 1.00 0.00 H new ATOM 0 HA SER A 43 14.122 4.102 8.105 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.603 1.869 9.443 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.636 1.498 8.030 1.00 0.00 H new ATOM 0 HG SER A 43 14.828 0.773 7.808 1.00 0.00 H new ATOM 673 N GLU A 44 12.103 5.069 6.629 1.00 0.00 N ATOM 674 CA GLU A 44 11.265 5.416 5.491 1.00 0.00 C ATOM 675 C GLU A 44 11.783 4.755 4.231 1.00 0.00 C ATOM 676 O GLU A 44 11.039 4.509 3.286 1.00 0.00 O ATOM 677 CB GLU A 44 11.214 6.931 5.314 1.00 0.00 C ATOM 678 CG GLU A 44 12.467 7.536 4.703 1.00 0.00 C ATOM 679 CD GLU A 44 13.124 8.561 5.607 1.00 0.00 C ATOM 680 OE1 GLU A 44 12.511 9.625 5.841 1.00 0.00 O ATOM 681 OE2 GLU A 44 14.250 8.301 6.080 1.00 0.00 O ATOM 0 H GLU A 44 12.501 5.868 7.123 1.00 0.00 H new ATOM 0 HA GLU A 44 10.255 5.053 5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.360 7.182 4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.040 7.392 6.286 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.180 6.741 4.484 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.212 8.006 3.753 1.00 0.00 H new ATOM 688 N ASN A 45 13.057 4.433 4.244 1.00 0.00 N ATOM 689 CA ASN A 45 13.662 3.752 3.115 1.00 0.00 C ATOM 690 C ASN A 45 13.005 2.391 2.955 1.00 0.00 C ATOM 691 O ASN A 45 12.766 1.913 1.847 1.00 0.00 O ATOM 692 CB ASN A 45 15.170 3.597 3.319 1.00 0.00 C ATOM 693 CG ASN A 45 15.856 2.967 2.122 1.00 0.00 C ATOM 694 OD1 ASN A 45 16.423 1.879 2.219 1.00 0.00 O ATOM 695 ND2 ASN A 45 15.807 3.651 0.986 1.00 0.00 N ATOM 0 H ASN A 45 13.693 4.629 5.017 1.00 0.00 H new ATOM 0 HA ASN A 45 13.509 4.343 2.212 1.00 0.00 H new ATOM 0 HB2 ASN A 45 15.610 4.575 3.512 1.00 0.00 H new ATOM 0 HB3 ASN A 45 15.353 2.985 4.202 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.251 3.278 0.147 1.00 0.00 H new ATOM 0 HD22 ASN A 45 15.325 4.550 0.952 1.00 0.00 H new ATOM 702 N SER A 46 12.697 1.797 4.095 1.00 0.00 N ATOM 703 CA SER A 46 12.042 0.506 4.158 1.00 0.00 C ATOM 704 C SER A 46 10.537 0.648 3.966 1.00 0.00 C ATOM 705 O SER A 46 9.872 -0.249 3.448 1.00 0.00 O ATOM 706 CB SER A 46 12.344 -0.149 5.499 1.00 0.00 C ATOM 707 OG SER A 46 11.438 -1.204 5.773 1.00 0.00 O ATOM 0 H SER A 46 12.897 2.202 5.009 1.00 0.00 H new ATOM 0 HA SER A 46 12.424 -0.121 3.353 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.364 -0.534 5.496 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.287 0.597 6.292 1.00 0.00 H new ATOM 0 HG SER A 46 11.657 -1.607 6.639 1.00 0.00 H new ATOM 713 N TYR A 47 10.020 1.801 4.370 1.00 0.00 N ATOM 714 CA TYR A 47 8.626 2.120 4.243 1.00 0.00 C ATOM 715 C TYR A 47 8.392 2.629 2.839 1.00 0.00 C ATOM 716 O TYR A 47 7.263 2.732 2.389 1.00 0.00 O ATOM 717 CB TYR A 47 8.213 3.078 5.368 1.00 0.00 C ATOM 718 CG TYR A 47 7.565 4.377 4.970 1.00 0.00 C ATOM 719 CD1 TYR A 47 8.283 5.357 4.320 1.00 0.00 C ATOM 720 CD2 TYR A 47 6.249 4.640 5.314 1.00 0.00 C ATOM 721 CE1 TYR A 47 7.717 6.577 4.022 1.00 0.00 C ATOM 722 CE2 TYR A 47 5.662 5.853 5.007 1.00 0.00 C ATOM 723 CZ TYR A 47 6.406 6.821 4.365 1.00 0.00 C ATOM 724 OH TYR A 47 5.847 8.045 4.092 1.00 0.00 O ATOM 0 H TYR A 47 10.574 2.542 4.799 1.00 0.00 H new ATOM 0 HA TYR A 47 7.982 1.250 4.369 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.526 2.547 6.027 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.101 3.311 5.955 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.308 5.165 4.039 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.673 3.886 5.830 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.298 7.338 3.522 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.631 6.041 5.267 1.00 0.00 H new ATOM 0 HH TYR A 47 6.556 8.716 4.004 1.00 0.00 H new ATOM 734 N ILE A 48 9.517 2.875 2.152 1.00 0.00 N ATOM 735 CA ILE A 48 9.546 3.302 0.764 1.00 0.00 C ATOM 736 C ILE A 48 9.434 2.072 -0.097 1.00 0.00 C ATOM 737 O ILE A 48 8.744 2.061 -1.117 1.00 0.00 O ATOM 738 CB ILE A 48 10.874 4.046 0.448 1.00 0.00 C ATOM 739 CG1 ILE A 48 10.755 5.538 0.773 1.00 0.00 C ATOM 740 CG2 ILE A 48 11.321 3.834 -0.996 1.00 0.00 C ATOM 741 CD1 ILE A 48 9.406 5.912 1.330 1.00 0.00 C ATOM 0 H ILE A 48 10.446 2.778 2.563 1.00 0.00 H new ATOM 0 HA ILE A 48 8.722 3.988 0.568 1.00 0.00 H new ATOM 0 HB ILE A 48 11.645 3.616 1.088 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.527 5.811 1.492 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.942 6.117 -0.131 1.00 0.00 H new ATOM 0 HG21 ILE A 48 12.253 4.372 -1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.477 2.770 -1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.553 4.208 -1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.383 6.981 1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.632 5.669 0.602 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.226 5.357 2.251 1.00 0.00 H new ATOM 753 N GLU A 49 10.091 1.019 0.355 1.00 0.00 N ATOM 754 CA GLU A 49 10.037 -0.231 -0.335 1.00 0.00 C ATOM 755 C GLU A 49 8.660 -0.777 -0.148 1.00 0.00 C ATOM 756 O GLU A 49 7.901 -0.904 -1.104 1.00 0.00 O ATOM 757 CB GLU A 49 11.101 -1.198 0.183 1.00 0.00 C ATOM 758 CG GLU A 49 12.424 -0.521 0.496 1.00 0.00 C ATOM 759 CD GLU A 49 13.618 -1.410 0.216 1.00 0.00 C ATOM 760 OE1 GLU A 49 13.623 -2.085 -0.834 1.00 0.00 O ATOM 761 OE2 GLU A 49 14.550 -1.432 1.048 1.00 0.00 O ATOM 0 H GLU A 49 10.665 1.017 1.198 1.00 0.00 H new ATOM 0 HA GLU A 49 10.248 -0.093 -1.395 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.730 -1.689 1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.266 -1.978 -0.560 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.509 0.391 -0.095 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.436 -0.224 1.545 1.00 0.00 H new ATOM 768 N VAL A 50 8.307 -1.027 1.105 1.00 0.00 N ATOM 769 CA VAL A 50 6.977 -1.495 1.410 1.00 0.00 C ATOM 770 C VAL A 50 5.960 -0.531 0.809 1.00 0.00 C ATOM 771 O VAL A 50 4.831 -0.911 0.498 1.00 0.00 O ATOM 772 CB VAL A 50 6.745 -1.649 2.931 1.00 0.00 C ATOM 773 CG1 VAL A 50 6.347 -0.324 3.569 1.00 0.00 C ATOM 774 CG2 VAL A 50 5.693 -2.717 3.202 1.00 0.00 C ATOM 0 H VAL A 50 8.920 -0.913 1.913 1.00 0.00 H new ATOM 0 HA VAL A 50 6.856 -2.486 0.973 1.00 0.00 H new ATOM 0 HB VAL A 50 7.685 -1.963 3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.191 -0.467 4.638 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.139 0.408 3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.425 0.037 3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.541 -2.814 4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.754 -2.432 2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.030 -3.671 2.796 1.00 0.00 H new ATOM 784 N ILE A 51 6.391 0.721 0.616 1.00 0.00 N ATOM 785 CA ILE A 51 5.545 1.729 0.019 1.00 0.00 C ATOM 786 C ILE A 51 5.450 1.492 -1.477 1.00 0.00 C ATOM 787 O ILE A 51 4.383 1.648 -2.074 1.00 0.00 O ATOM 788 CB ILE A 51 6.048 3.162 0.328 1.00 0.00 C ATOM 789 CG1 ILE A 51 5.061 3.861 1.264 1.00 0.00 C ATOM 790 CG2 ILE A 51 6.230 3.982 -0.941 1.00 0.00 C ATOM 791 CD1 ILE A 51 3.605 3.718 0.834 1.00 0.00 C ATOM 0 H ILE A 51 7.323 1.048 0.869 1.00 0.00 H new ATOM 0 HA ILE A 51 4.550 1.646 0.457 1.00 0.00 H new ATOM 0 HB ILE A 51 7.022 3.080 0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.176 3.454 2.269 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.313 4.920 1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.583 4.980 -0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.960 3.495 -1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.277 4.059 -1.464 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.963 4.239 1.545 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.474 4.151 -0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.335 2.662 0.807 1.00 0.00 H new ATOM 803 N SER A 52 6.560 1.077 -2.080 1.00 0.00 N ATOM 804 CA SER A 52 6.559 0.787 -3.494 1.00 0.00 C ATOM 805 C SER A 52 5.814 -0.508 -3.730 1.00 0.00 C ATOM 806 O SER A 52 5.127 -0.680 -4.738 1.00 0.00 O ATOM 807 CB SER A 52 7.969 0.702 -4.053 1.00 0.00 C ATOM 808 OG SER A 52 8.756 1.791 -3.604 1.00 0.00 O ATOM 0 H SER A 52 7.456 0.938 -1.612 1.00 0.00 H new ATOM 0 HA SER A 52 6.059 1.602 -4.016 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.430 -0.237 -3.746 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.933 0.698 -5.142 1.00 0.00 H new ATOM 0 HG SER A 52 9.345 1.492 -2.880 1.00 0.00 H new ATOM 814 N LEU A 53 5.949 -1.415 -2.768 1.00 0.00 N ATOM 815 CA LEU A 53 5.285 -2.698 -2.838 1.00 0.00 C ATOM 816 C LEU A 53 3.804 -2.534 -2.562 1.00 0.00 C ATOM 817 O LEU A 53 3.024 -3.419 -2.849 1.00 0.00 O ATOM 818 CB LEU A 53 5.889 -3.698 -1.854 1.00 0.00 C ATOM 819 CG LEU A 53 7.352 -3.460 -1.521 1.00 0.00 C ATOM 820 CD1 LEU A 53 7.895 -4.563 -0.628 1.00 0.00 C ATOM 821 CD2 LEU A 53 8.180 -3.332 -2.792 1.00 0.00 C ATOM 0 H LEU A 53 6.516 -1.278 -1.931 1.00 0.00 H new ATOM 0 HA LEU A 53 5.426 -3.090 -3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.312 -3.671 -0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.783 -4.701 -2.267 1.00 0.00 H new ATOM 0 HG LEU A 53 7.425 -2.521 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.944 -4.368 -0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.326 -4.592 0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.805 -5.522 -1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.224 -3.162 -2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.097 -4.250 -3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.813 -2.493 -3.383 1.00 0.00 H new ATOM 833 N LEU A 54 3.410 -1.401 -1.994 1.00 0.00 N ATOM 834 CA LEU A 54 2.010 -1.173 -1.709 1.00 0.00 C ATOM 835 C LEU A 54 1.249 -0.777 -2.964 1.00 0.00 C ATOM 836 O LEU A 54 0.235 -1.390 -3.302 1.00 0.00 O ATOM 837 CB LEU A 54 1.847 -0.149 -0.597 1.00 0.00 C ATOM 838 CG LEU A 54 1.924 -0.742 0.817 1.00 0.00 C ATOM 839 CD1 LEU A 54 0.610 -0.533 1.554 1.00 0.00 C ATOM 840 CD2 LEU A 54 2.274 -2.235 0.779 1.00 0.00 C ATOM 0 H LEU A 54 4.034 -0.639 -1.727 1.00 0.00 H new ATOM 0 HA LEU A 54 1.576 -2.109 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.620 0.612 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.887 0.353 -0.717 1.00 0.00 H new ATOM 0 HG LEU A 54 2.719 -0.221 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.682 -0.959 2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.400 0.534 1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.196 -1.024 1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.321 -2.624 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.509 -2.774 0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.241 -2.370 0.294 1.00 0.00 H new ATOM 852 N SER A 55 1.757 0.231 -3.664 1.00 0.00 N ATOM 853 CA SER A 55 1.133 0.695 -4.897 1.00 0.00 C ATOM 854 C SER A 55 1.225 -0.364 -5.999 1.00 0.00 C ATOM 855 O SER A 55 0.604 -0.230 -7.051 1.00 0.00 O ATOM 856 CB SER A 55 1.790 1.997 -5.366 1.00 0.00 C ATOM 857 OG SER A 55 2.888 2.343 -4.541 1.00 0.00 O ATOM 0 H SER A 55 2.599 0.742 -3.399 1.00 0.00 H new ATOM 0 HA SER A 55 0.079 0.879 -4.690 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.127 1.887 -6.397 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.056 2.802 -5.355 1.00 0.00 H new ATOM 0 HG SER A 55 3.290 3.177 -4.864 1.00 0.00 H new ATOM 863 N ARG A 56 2.009 -1.414 -5.758 1.00 0.00 N ATOM 864 CA ARG A 56 2.175 -2.482 -6.741 1.00 0.00 C ATOM 865 C ARG A 56 1.970 -3.865 -6.114 1.00 0.00 C ATOM 866 O ARG A 56 1.755 -4.844 -6.817 1.00 0.00 O ATOM 867 CB ARG A 56 3.566 -2.403 -7.375 1.00 0.00 C ATOM 868 CG ARG A 56 3.772 -1.175 -8.248 1.00 0.00 C ATOM 869 CD ARG A 56 4.242 0.021 -7.432 1.00 0.00 C ATOM 870 NE ARG A 56 4.449 1.205 -8.263 1.00 0.00 N ATOM 871 CZ ARG A 56 3.465 1.891 -8.842 1.00 0.00 C ATOM 872 NH1 ARG A 56 2.202 1.521 -8.676 1.00 0.00 N ATOM 873 NH2 ARG A 56 3.745 2.952 -9.585 1.00 0.00 N ATOM 0 H ARG A 56 2.536 -1.547 -4.895 1.00 0.00 H new ATOM 0 HA ARG A 56 1.414 -2.344 -7.509 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.316 -2.406 -6.584 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.733 -3.297 -7.976 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.505 -1.398 -9.023 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.839 -0.927 -8.754 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.506 0.245 -6.660 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.172 -0.231 -6.922 1.00 0.00 H new ATOM 0 HE ARG A 56 5.406 1.526 -8.409 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.980 0.707 -8.102 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.453 2.050 -9.122 1.00 0.00 H new ATOM 0 HH21 ARG A 56 4.714 3.243 -9.713 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.991 3.477 -10.028 1.00 0.00 H new ATOM 887 N GLY A 57 2.043 -3.941 -4.792 1.00 0.00 N ATOM 888 CA GLY A 57 1.870 -5.211 -4.103 1.00 0.00 C ATOM 889 C GLY A 57 0.432 -5.662 -4.068 1.00 0.00 C ATOM 890 O GLY A 57 0.128 -6.828 -4.320 1.00 0.00 O ATOM 0 H GLY A 57 2.219 -3.144 -4.180 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.474 -5.973 -4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.243 -5.120 -3.083 1.00 0.00 H new ATOM 894 N ILE A 58 -0.454 -4.735 -3.737 1.00 0.00 N ATOM 895 CA ILE A 58 -1.872 -5.037 -3.646 1.00 0.00 C ATOM 896 C ILE A 58 -2.501 -5.288 -5.021 1.00 0.00 C ATOM 897 O ILE A 58 -3.677 -5.635 -5.116 1.00 0.00 O ATOM 898 CB ILE A 58 -2.618 -3.895 -2.928 1.00 0.00 C ATOM 899 CG1 ILE A 58 -4.097 -4.249 -2.713 1.00 0.00 C ATOM 900 CG2 ILE A 58 -2.470 -2.607 -3.715 1.00 0.00 C ATOM 901 CD1 ILE A 58 -5.052 -3.101 -2.974 1.00 0.00 C ATOM 0 H ILE A 58 -0.214 -3.766 -3.527 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.968 -5.956 -3.068 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.173 -3.753 -1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.359 -5.081 -3.366 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.232 -4.594 -1.688 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.000 -1.804 -3.202 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.414 -2.350 -3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.890 -2.740 -4.712 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.076 -3.433 -2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.819 -2.274 -2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.949 -2.769 -4.007 1.00 0.00 H new ATOM 1109 N PRO A 70 -11.728 -5.867 -1.793 1.00 0.00 N ATOM 1110 CA PRO A 70 -12.801 -5.050 -1.223 1.00 0.00 C ATOM 1111 C PRO A 70 -12.433 -3.574 -1.132 1.00 0.00 C ATOM 1112 O PRO A 70 -11.316 -3.179 -1.466 1.00 0.00 O ATOM 1113 CB PRO A 70 -12.987 -5.646 0.164 1.00 0.00 C ATOM 1114 CG PRO A 70 -11.653 -6.188 0.529 1.00 0.00 C ATOM 1115 CD PRO A 70 -11.040 -6.674 -0.762 1.00 0.00 C ATOM 0 HA PRO A 70 -13.701 -5.070 -1.838 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -13.315 -4.891 0.878 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.744 -6.430 0.159 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.032 -5.421 0.992 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -11.745 -7.001 1.249 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.962 -6.514 -0.780 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -11.207 -7.741 -0.909 1.00 0.00 H new ATOM 1123 N SER A 71 -13.384 -2.762 -0.677 1.00 0.00 N ATOM 1124 CA SER A 71 -13.167 -1.324 -0.539 1.00 0.00 C ATOM 1125 C SER A 71 -11.875 -1.038 0.220 1.00 0.00 C ATOM 1126 O SER A 71 -11.070 -0.206 -0.199 1.00 0.00 O ATOM 1127 CB SER A 71 -14.350 -0.676 0.179 1.00 0.00 C ATOM 1128 OG SER A 71 -14.256 0.738 0.145 1.00 0.00 O ATOM 0 H SER A 71 -14.313 -3.076 -0.397 1.00 0.00 H new ATOM 0 HA SER A 71 -13.080 -0.897 -1.538 1.00 0.00 H new ATOM 0 HB2 SER A 71 -15.282 -0.993 -0.290 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.382 -1.017 1.214 1.00 0.00 H new ATOM 0 HG SER A 71 -15.025 1.128 0.610 1.00 0.00 H new ATOM 1134 N SER A 72 -11.675 -1.739 1.337 1.00 0.00 N ATOM 1135 CA SER A 72 -10.471 -1.563 2.147 1.00 0.00 C ATOM 1136 C SER A 72 -9.205 -1.972 1.398 1.00 0.00 C ATOM 1137 O SER A 72 -8.158 -2.174 2.006 1.00 0.00 O ATOM 1138 CB SER A 72 -10.590 -2.346 3.453 1.00 0.00 C ATOM 1139 OG SER A 72 -9.979 -3.621 3.350 1.00 0.00 O ATOM 0 H SER A 72 -12.330 -2.432 1.700 1.00 0.00 H new ATOM 0 HA SER A 72 -10.386 -0.500 2.371 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.124 -1.782 4.261 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.642 -2.465 3.713 1.00 0.00 H new ATOM 0 HG SER A 72 -10.302 -4.074 2.544 1.00 0.00 H new ATOM 1145 N MET A 73 -9.295 -2.050 0.079 1.00 0.00 N ATOM 1146 CA MET A 73 -8.153 -2.386 -0.747 1.00 0.00 C ATOM 1147 C MET A 73 -8.072 -1.408 -1.915 1.00 0.00 C ATOM 1148 O MET A 73 -7.343 -1.623 -2.882 1.00 0.00 O ATOM 1149 CB MET A 73 -8.244 -3.829 -1.252 1.00 0.00 C ATOM 1150 CG MET A 73 -8.164 -4.892 -0.159 1.00 0.00 C ATOM 1151 SD MET A 73 -6.904 -4.576 1.106 1.00 0.00 S ATOM 1152 CE MET A 73 -5.629 -3.709 0.191 1.00 0.00 C ATOM 0 H MET A 73 -10.156 -1.883 -0.442 1.00 0.00 H new ATOM 0 HA MET A 73 -7.246 -2.307 -0.147 1.00 0.00 H new ATOM 0 HB2 MET A 73 -9.183 -3.952 -1.792 1.00 0.00 H new ATOM 0 HB3 MET A 73 -7.440 -4.001 -1.967 1.00 0.00 H new ATOM 0 HG2 MET A 73 -9.137 -4.970 0.327 1.00 0.00 H new ATOM 0 HG3 MET A 73 -7.961 -5.857 -0.623 1.00 0.00 H new ATOM 0 HE1 MET A 73 -4.651 -4.105 0.465 1.00 0.00 H new ATOM 0 HE2 MET A 73 -5.790 -3.848 -0.878 1.00 0.00 H new ATOM 0 HE3 MET A 73 -5.669 -2.646 0.429 1.00 0.00 H new ATOM 1162 N LEU A 74 -8.832 -0.324 -1.795 1.00 0.00 N ATOM 1163 CA LEU A 74 -8.873 0.719 -2.801 1.00 0.00 C ATOM 1164 C LEU A 74 -8.508 2.052 -2.171 1.00 0.00 C ATOM 1165 O LEU A 74 -7.864 2.886 -2.798 1.00 0.00 O ATOM 1166 CB LEU A 74 -10.269 0.796 -3.423 1.00 0.00 C ATOM 1167 CG LEU A 74 -10.313 1.305 -4.863 1.00 0.00 C ATOM 1168 CD1 LEU A 74 -11.675 1.023 -5.482 1.00 0.00 C ATOM 1169 CD2 LEU A 74 -9.993 2.793 -4.911 1.00 0.00 C ATOM 0 H LEU A 74 -9.437 -0.148 -0.993 1.00 0.00 H new ATOM 0 HA LEU A 74 -8.154 0.486 -3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.718 -0.197 -3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.889 1.446 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.557 0.776 -5.444 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.692 1.391 -6.508 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.861 -0.051 -5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.449 1.527 -4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -10.029 3.140 -5.944 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -10.725 3.342 -4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.996 2.964 -4.505 1.00 0.00 H new ATOM 1181 N THR A 75 -8.910 2.236 -0.917 1.00 0.00 N ATOM 1182 CA THR A 75 -8.613 3.458 -0.193 1.00 0.00 C ATOM 1183 C THR A 75 -7.149 3.477 0.225 1.00 0.00 C ATOM 1184 O THR A 75 -6.565 4.535 0.438 1.00 0.00 O ATOM 1185 CB THR A 75 -9.535 3.583 1.028 1.00 0.00 C ATOM 1186 OG1 THR A 75 -10.472 4.628 0.841 1.00 0.00 O ATOM 1187 CG2 THR A 75 -8.813 3.850 2.338 1.00 0.00 C ATOM 0 H THR A 75 -9.444 1.550 -0.384 1.00 0.00 H new ATOM 0 HA THR A 75 -8.791 4.313 -0.845 1.00 0.00 H new ATOM 0 HB THR A 75 -10.019 2.609 1.104 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.052 4.692 1.628 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.541 3.924 3.146 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.122 3.033 2.546 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.258 4.785 2.263 1.00 0.00 H new ATOM 1195 N ILE A 76 -6.561 2.295 0.332 1.00 0.00 N ATOM 1196 CA ILE A 76 -5.166 2.180 0.708 1.00 0.00 C ATOM 1197 C ILE A 76 -4.292 2.536 -0.483 1.00 0.00 C ATOM 1198 O ILE A 76 -3.569 3.528 -0.454 1.00 0.00 O ATOM 1199 CB ILE A 76 -4.849 0.756 1.218 1.00 0.00 C ATOM 1200 CG1 ILE A 76 -5.286 0.619 2.678 1.00 0.00 C ATOM 1201 CG2 ILE A 76 -3.370 0.420 1.060 1.00 0.00 C ATOM 1202 CD1 ILE A 76 -6.636 -0.048 2.842 1.00 0.00 C ATOM 0 H ILE A 76 -7.030 1.405 0.163 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.958 2.874 1.522 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.408 0.043 0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -4.536 0.044 3.221 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.320 1.609 3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.185 -0.589 1.429 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.094 0.478 0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.772 1.131 1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.884 -0.113 3.902 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.397 0.539 2.327 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.601 -1.051 2.416 1.00 0.00 H new ATOM 1214 N TYR A 77 -4.393 1.744 -1.545 1.00 0.00 N ATOM 1215 CA TYR A 77 -3.635 2.004 -2.762 1.00 0.00 C ATOM 1216 C TYR A 77 -3.785 3.468 -3.149 1.00 0.00 C ATOM 1217 O TYR A 77 -2.819 4.136 -3.517 1.00 0.00 O ATOM 1218 CB TYR A 77 -4.144 1.110 -3.893 1.00 0.00 C ATOM 1219 CG TYR A 77 -3.342 1.211 -5.173 1.00 0.00 C ATOM 1220 CD1 TYR A 77 -3.174 2.424 -5.833 1.00 0.00 C ATOM 1221 CD2 TYR A 77 -2.748 0.084 -5.717 1.00 0.00 C ATOM 1222 CE1 TYR A 77 -2.435 2.505 -6.998 1.00 0.00 C ATOM 1223 CE2 TYR A 77 -2.008 0.156 -6.878 1.00 0.00 C ATOM 1224 CZ TYR A 77 -1.853 1.368 -7.514 1.00 0.00 C ATOM 1225 OH TYR A 77 -1.112 1.443 -8.669 1.00 0.00 O ATOM 0 H TYR A 77 -4.991 0.919 -1.587 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.582 1.784 -2.586 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -4.136 0.074 -3.554 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -5.181 1.368 -4.106 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.628 3.316 -5.429 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.867 -0.869 -5.222 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.315 3.453 -7.501 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.552 -0.734 -7.287 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.293 0.915 -8.567 1.00 0.00 H new ATOM 1235 N THR A 78 -5.015 3.953 -3.047 1.00 0.00 N ATOM 1236 CA THR A 78 -5.330 5.335 -3.366 1.00 0.00 C ATOM 1237 C THR A 78 -4.607 6.277 -2.420 1.00 0.00 C ATOM 1238 O THR A 78 -4.187 7.364 -2.803 1.00 0.00 O ATOM 1239 CB THR A 78 -6.844 5.552 -3.269 1.00 0.00 C ATOM 1240 OG1 THR A 78 -7.305 6.388 -4.312 1.00 0.00 O ATOM 1241 CG2 THR A 78 -7.288 6.159 -1.959 1.00 0.00 C ATOM 0 H THR A 78 -5.817 3.401 -2.742 1.00 0.00 H new ATOM 0 HA THR A 78 -4.999 5.547 -4.383 1.00 0.00 H new ATOM 0 HB THR A 78 -7.275 4.554 -3.347 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.274 6.510 -4.229 1.00 0.00 H new ATOM 0 HG21 THR A 78 -8.371 6.283 -1.964 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.002 5.502 -1.138 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.812 7.131 -1.829 1.00 0.00 H new ATOM 1249 N GLN A 79 -4.470 5.836 -1.182 1.00 0.00 N ATOM 1250 CA GLN A 79 -3.806 6.621 -0.155 1.00 0.00 C ATOM 1251 C GLN A 79 -2.317 6.624 -0.415 1.00 0.00 C ATOM 1252 O GLN A 79 -1.643 7.649 -0.312 1.00 0.00 O ATOM 1253 CB GLN A 79 -4.100 6.057 1.236 1.00 0.00 C ATOM 1254 CG GLN A 79 -5.411 6.552 1.822 1.00 0.00 C ATOM 1255 CD GLN A 79 -5.277 7.910 2.484 1.00 0.00 C ATOM 1256 OE1 GLN A 79 -5.103 8.007 3.699 1.00 0.00 O ATOM 1257 NE2 GLN A 79 -5.360 8.968 1.685 1.00 0.00 N ATOM 0 H GLN A 79 -4.813 4.930 -0.861 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.184 7.643 -0.190 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -4.123 4.969 1.181 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -3.285 6.325 1.909 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.160 6.609 1.032 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.774 5.830 2.553 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.505 8.841 0.683 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.279 9.908 2.073 1.00 0.00 H new ATOM 1266 N ILE A 80 -1.829 5.455 -0.785 1.00 0.00 N ATOM 1267 CA ILE A 80 -0.438 5.257 -1.112 1.00 0.00 C ATOM 1268 C ILE A 80 0.014 6.307 -2.122 1.00 0.00 C ATOM 1269 O ILE A 80 0.969 7.046 -1.881 1.00 0.00 O ATOM 1270 CB ILE A 80 -0.265 3.834 -1.675 1.00 0.00 C ATOM 1271 CG1 ILE A 80 0.115 2.868 -0.563 1.00 0.00 C ATOM 1272 CG2 ILE A 80 0.734 3.784 -2.804 1.00 0.00 C ATOM 1273 CD1 ILE A 80 -1.023 1.959 -0.180 1.00 0.00 C ATOM 0 H ILE A 80 -2.396 4.611 -0.866 1.00 0.00 H new ATOM 0 HA ILE A 80 0.180 5.366 -0.221 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.224 3.527 -2.092 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.966 2.266 -0.883 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.436 3.433 0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.821 2.760 -3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.399 4.430 -3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.705 4.126 -2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.701 1.289 0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.866 2.557 0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.327 1.372 -1.047 1.00 0.00 H new ATOM 1285 N GLN A 81 -0.702 6.384 -3.239 1.00 0.00 N ATOM 1286 CA GLN A 81 -0.399 7.360 -4.273 1.00 0.00 C ATOM 1287 C GLN A 81 -0.674 8.766 -3.756 1.00 0.00 C ATOM 1288 O GLN A 81 -0.008 9.725 -4.132 1.00 0.00 O ATOM 1289 CB GLN A 81 -1.233 7.089 -5.528 1.00 0.00 C ATOM 1290 CG GLN A 81 -0.828 5.824 -6.266 1.00 0.00 C ATOM 1291 CD GLN A 81 -0.873 5.989 -7.773 1.00 0.00 C ATOM 1292 OE1 GLN A 81 -1.580 6.851 -8.293 1.00 0.00 O ATOM 1293 NE2 GLN A 81 -0.116 5.159 -8.482 1.00 0.00 N ATOM 0 H GLN A 81 -1.497 5.780 -3.449 1.00 0.00 H new ATOM 0 HA GLN A 81 0.656 7.276 -4.534 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.284 7.015 -5.247 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.143 7.939 -6.204 1.00 0.00 H new ATOM 0 HG2 GLN A 81 0.180 5.539 -5.965 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -1.490 5.009 -5.973 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.455 4.459 -8.008 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.106 5.222 -9.500 1.00 0.00 H new ATOM 1302 N LYS A 82 -1.660 8.867 -2.879 1.00 0.00 N ATOM 1303 CA LYS A 82 -2.038 10.142 -2.285 1.00 0.00 C ATOM 1304 C LYS A 82 -0.946 10.666 -1.391 1.00 0.00 C ATOM 1305 O LYS A 82 -0.766 11.867 -1.257 1.00 0.00 O ATOM 1306 CB LYS A 82 -3.310 9.990 -1.461 1.00 0.00 C ATOM 1307 CG LYS A 82 -4.435 10.878 -1.934 1.00 0.00 C ATOM 1308 CD LYS A 82 -5.128 10.270 -3.139 1.00 0.00 C ATOM 1309 CE LYS A 82 -6.636 10.212 -2.950 1.00 0.00 C ATOM 1310 NZ LYS A 82 -7.273 11.540 -3.164 1.00 0.00 N ATOM 0 H LYS A 82 -2.218 8.075 -2.560 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.206 10.845 -3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.636 8.951 -1.497 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.089 10.219 -0.418 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -5.155 11.021 -1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.044 11.862 -2.191 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.895 10.857 -4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.744 9.265 -3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.062 9.489 -3.646 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.863 9.858 -1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -8.301 11.458 -3.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.886 12.225 -2.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -7.079 11.866 -4.132 1.00 0.00 H new ATOM 1324 N ASP A 83 -0.205 9.757 -0.804 1.00 0.00 N ATOM 1325 CA ASP A 83 0.891 10.129 0.059 1.00 0.00 C ATOM 1326 C ASP A 83 2.050 10.508 -0.824 1.00 0.00 C ATOM 1327 O ASP A 83 2.873 11.365 -0.499 1.00 0.00 O ATOM 1328 CB ASP A 83 1.274 8.964 0.968 1.00 0.00 C ATOM 1329 CG ASP A 83 0.109 8.475 1.808 1.00 0.00 C ATOM 1330 OD1 ASP A 83 -0.592 9.322 2.399 1.00 0.00 O ATOM 1331 OD2 ASP A 83 -0.099 7.246 1.876 1.00 0.00 O ATOM 0 H ASP A 83 -0.341 8.752 -0.908 1.00 0.00 H new ATOM 0 HA ASP A 83 0.607 10.965 0.699 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.650 8.141 0.360 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.087 9.272 1.625 1.00 0.00 H new ATOM 1336 N ILE A 84 2.072 9.848 -1.968 1.00 0.00 N ATOM 1337 CA ILE A 84 3.073 10.058 -2.969 1.00 0.00 C ATOM 1338 C ILE A 84 2.983 11.468 -3.540 1.00 0.00 C ATOM 1339 O ILE A 84 3.963 12.215 -3.531 1.00 0.00 O ATOM 1340 CB ILE A 84 2.895 9.032 -4.112 1.00 0.00 C ATOM 1341 CG1 ILE A 84 3.216 7.605 -3.656 1.00 0.00 C ATOM 1342 CG2 ILE A 84 3.762 9.411 -5.272 1.00 0.00 C ATOM 1343 CD1 ILE A 84 3.897 7.548 -2.320 1.00 0.00 C ATOM 0 H ILE A 84 1.380 9.143 -2.220 1.00 0.00 H new ATOM 0 HA ILE A 84 4.051 9.929 -2.505 1.00 0.00 H new ATOM 0 HB ILE A 84 1.848 9.049 -4.415 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.292 7.029 -3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.852 7.127 -4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.633 8.685 -6.075 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.479 10.401 -5.629 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.806 9.423 -4.958 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.096 6.509 -2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.838 8.097 -2.367 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.253 7.997 -1.564 1.00 0.00 H new ATOM 1355 N LYS A 85 1.811 11.821 -4.054 1.00 0.00 N ATOM 1356 CA LYS A 85 1.616 13.129 -4.644 1.00 0.00 C ATOM 1357 C LYS A 85 1.473 14.189 -3.576 1.00 0.00 C ATOM 1358 O LYS A 85 1.882 15.336 -3.759 1.00 0.00 O ATOM 1359 CB LYS A 85 0.387 13.176 -5.555 1.00 0.00 C ATOM 1360 CG LYS A 85 -0.134 11.832 -6.013 1.00 0.00 C ATOM 1361 CD LYS A 85 0.980 10.915 -6.505 1.00 0.00 C ATOM 1362 CE LYS A 85 1.941 11.611 -7.454 1.00 0.00 C ATOM 1363 NZ LYS A 85 1.341 11.824 -8.801 1.00 0.00 N ATOM 0 H LYS A 85 0.988 11.219 -4.072 1.00 0.00 H new ATOM 0 HA LYS A 85 2.502 13.328 -5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.414 13.697 -5.030 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.631 13.771 -6.435 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.661 11.350 -5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.859 11.980 -6.813 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.535 10.534 -5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.540 10.054 -7.008 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.234 12.572 -7.032 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.849 11.015 -7.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.030 12.301 -9.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.084 10.906 -9.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.489 12.414 -8.712 1.00 0.00 H new ATOM 1377 N ASN A 86 0.855 13.806 -2.472 1.00 0.00 N ATOM 1378 CA ASN A 86 0.624 14.751 -1.387 1.00 0.00 C ATOM 1379 C ASN A 86 1.931 15.197 -0.744 1.00 0.00 C ATOM 1380 O ASN A 86 1.982 16.233 -0.081 1.00 0.00 O ATOM 1381 CB ASN A 86 -0.304 14.166 -0.321 1.00 0.00 C ATOM 1382 CG ASN A 86 -0.587 15.145 0.802 1.00 0.00 C ATOM 1383 OD1 ASN A 86 0.366 15.292 1.714 1.00 0.00 O flip ATOM 1384 ND2 ASN A 86 -1.651 15.765 0.846 1.00 0.00 N flip ATOM 0 H ASN A 86 0.508 12.862 -2.302 1.00 0.00 H new ATOM 0 HA ASN A 86 0.140 15.622 -1.829 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -1.244 13.869 -0.786 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.146 13.264 0.093 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.356 15.620 0.123 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.827 16.423 1.605 1.00 0.00 H new ATOM 1391 N GLY A 87 2.980 14.408 -0.928 1.00 0.00 N ATOM 1392 CA GLY A 87 4.261 14.742 -0.342 1.00 0.00 C ATOM 1393 C GLY A 87 4.390 14.194 1.062 1.00 0.00 C ATOM 1394 O GLY A 87 5.005 14.812 1.929 1.00 0.00 O ATOM 0 H GLY A 87 2.967 13.545 -1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.062 14.343 -0.964 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.382 15.825 -0.323 1.00 0.00 H new ATOM 1398 N ASN A 88 3.822 13.012 1.272 1.00 0.00 N ATOM 1399 CA ASN A 88 3.883 12.348 2.556 1.00 0.00 C ATOM 1400 C ASN A 88 4.973 11.295 2.501 1.00 0.00 C ATOM 1401 O ASN A 88 5.556 10.911 3.514 1.00 0.00 O ATOM 1402 CB ASN A 88 2.535 11.711 2.894 1.00 0.00 C ATOM 1403 CG ASN A 88 1.493 12.743 3.279 1.00 0.00 C ATOM 1404 OD1 ASN A 88 1.793 13.933 3.384 1.00 0.00 O ATOM 1405 ND2 ASN A 88 0.262 12.294 3.493 1.00 0.00 N ATOM 0 H ASN A 88 3.310 12.494 0.557 1.00 0.00 H new ATOM 0 HA ASN A 88 4.111 13.073 3.337 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.179 11.141 2.036 1.00 0.00 H new ATOM 0 HB3 ASN A 88 2.664 11.005 3.714 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.479 12.944 3.756 1.00 0.00 H new ATOM 0 HD22 ASN A 88 0.058 11.300 3.395 1.00 0.00 H new ATOM 1412 N ILE A 89 5.247 10.858 1.279 1.00 0.00 N ATOM 1413 CA ILE A 89 6.249 9.889 0.988 1.00 0.00 C ATOM 1414 C ILE A 89 7.417 10.601 0.335 1.00 0.00 C ATOM 1415 O ILE A 89 7.311 11.779 -0.006 1.00 0.00 O ATOM 1416 CB ILE A 89 5.655 8.875 0.009 1.00 0.00 C ATOM 1417 CG1 ILE A 89 4.370 8.240 0.553 1.00 0.00 C ATOM 1418 CG2 ILE A 89 6.662 7.836 -0.326 1.00 0.00 C ATOM 1419 CD1 ILE A 89 4.386 7.959 2.035 1.00 0.00 C ATOM 0 H ILE A 89 4.753 11.189 0.450 1.00 0.00 H new ATOM 0 HA ILE A 89 6.584 9.381 1.892 1.00 0.00 H new ATOM 0 HB ILE A 89 5.385 9.409 -0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.532 8.901 0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.189 7.306 0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.228 7.120 -1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.532 8.307 -0.784 1.00 0.00 H new ATOM 0 HG23 ILE A 89 6.966 7.318 0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.437 7.511 2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.200 7.272 2.266 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.532 8.891 2.581 1.00 0.00 H new ATOM 1431 N ASP A 90 8.514 9.901 0.136 1.00 0.00 N ATOM 1432 CA ASP A 90 9.654 10.500 -0.503 1.00 0.00 C ATOM 1433 C ASP A 90 9.804 9.877 -1.863 1.00 0.00 C ATOM 1434 O ASP A 90 10.707 9.079 -2.108 1.00 0.00 O ATOM 1435 CB ASP A 90 10.913 10.304 0.332 1.00 0.00 C ATOM 1436 CG ASP A 90 11.503 11.619 0.805 1.00 0.00 C ATOM 1437 OD1 ASP A 90 11.093 12.100 1.883 1.00 0.00 O ATOM 1438 OD2 ASP A 90 12.375 12.169 0.098 1.00 0.00 O ATOM 0 H ASP A 90 8.635 8.925 0.407 1.00 0.00 H new ATOM 0 HA ASP A 90 9.505 11.575 -0.602 1.00 0.00 H new ATOM 0 HB2 ASP A 90 10.680 9.682 1.196 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.656 9.766 -0.257 1.00 0.00 H new ATOM 1443 N THR A 91 8.878 10.225 -2.739 1.00 0.00 N ATOM 1444 CA THR A 91 8.869 9.683 -4.075 1.00 0.00 C ATOM 1445 C THR A 91 10.221 9.831 -4.749 1.00 0.00 C ATOM 1446 O THR A 91 10.514 9.125 -5.708 1.00 0.00 O ATOM 1447 CB THR A 91 7.763 10.314 -4.902 1.00 0.00 C ATOM 1448 OG1 THR A 91 7.165 11.400 -4.217 1.00 0.00 O ATOM 1449 CG2 THR A 91 6.681 9.326 -5.240 1.00 0.00 C ATOM 0 H THR A 91 8.123 10.883 -2.543 1.00 0.00 H new ATOM 0 HA THR A 91 8.666 8.615 -4.000 1.00 0.00 H new ATOM 0 HB THR A 91 8.235 10.664 -5.820 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.458 11.788 -4.773 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.910 9.819 -5.832 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.107 8.502 -5.813 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.241 8.940 -4.321 1.00 0.00 H new ATOM 1457 N GLU A 92 11.067 10.708 -4.219 1.00 0.00 N ATOM 1458 CA GLU A 92 12.400 10.869 -4.759 1.00 0.00 C ATOM 1459 C GLU A 92 13.148 9.583 -4.483 1.00 0.00 C ATOM 1460 O GLU A 92 13.828 9.035 -5.347 1.00 0.00 O ATOM 1461 CB GLU A 92 13.113 12.065 -4.122 1.00 0.00 C ATOM 1462 CG GLU A 92 12.198 13.250 -3.851 1.00 0.00 C ATOM 1463 CD GLU A 92 12.300 13.749 -2.423 1.00 0.00 C ATOM 1464 OE1 GLU A 92 13.411 14.145 -2.011 1.00 0.00 O ATOM 1465 OE2 GLU A 92 11.270 13.745 -1.717 1.00 0.00 O ATOM 0 H GLU A 92 10.851 11.310 -3.424 1.00 0.00 H new ATOM 0 HA GLU A 92 12.357 11.067 -5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.569 11.747 -3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.923 12.385 -4.778 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.448 14.061 -4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.167 12.964 -4.059 1.00 0.00 H new ATOM 1472 N LYS A 93 12.955 9.087 -3.271 1.00 0.00 N ATOM 1473 CA LYS A 93 13.539 7.836 -2.851 1.00 0.00 C ATOM 1474 C LYS A 93 12.830 6.701 -3.560 1.00 0.00 C ATOM 1475 O LYS A 93 13.457 5.783 -4.087 1.00 0.00 O ATOM 1476 CB LYS A 93 13.410 7.678 -1.337 1.00 0.00 C ATOM 1477 CG LYS A 93 14.446 8.468 -0.559 1.00 0.00 C ATOM 1478 CD LYS A 93 13.847 9.236 0.613 1.00 0.00 C ATOM 1479 CE LYS A 93 12.854 8.396 1.408 1.00 0.00 C ATOM 1480 NZ LYS A 93 13.528 7.250 2.082 1.00 0.00 N ATOM 0 H LYS A 93 12.389 9.544 -2.556 1.00 0.00 H new ATOM 0 HA LYS A 93 14.598 7.820 -3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.414 7.997 -1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.500 6.623 -1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.212 7.787 -0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.942 9.169 -1.231 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.648 9.570 1.273 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.347 10.130 0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.362 9.020 2.154 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.076 8.022 0.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.815 6.651 2.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.047 6.689 1.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.193 7.610 2.796 1.00 0.00 H new ATOM 1494 N LEU A 94 11.506 6.792 -3.584 1.00 0.00 N ATOM 1495 CA LEU A 94 10.684 5.798 -4.251 1.00 0.00 C ATOM 1496 C LEU A 94 11.057 5.712 -5.709 1.00 0.00 C ATOM 1497 O LEU A 94 10.991 4.653 -6.308 1.00 0.00 O ATOM 1498 CB LEU A 94 9.212 6.159 -4.188 1.00 0.00 C ATOM 1499 CG LEU A 94 8.695 6.589 -2.849 1.00 0.00 C ATOM 1500 CD1 LEU A 94 7.249 7.040 -3.000 1.00 0.00 C ATOM 1501 CD2 LEU A 94 8.822 5.470 -1.848 1.00 0.00 C ATOM 0 H LEU A 94 10.980 7.548 -3.146 1.00 0.00 H new ATOM 0 HA LEU A 94 10.856 4.850 -3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.025 6.961 -4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.633 5.297 -4.519 1.00 0.00 H new ATOM 0 HG LEU A 94 9.288 7.424 -2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.863 7.355 -2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.199 7.875 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.648 6.213 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.441 5.801 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.246 4.610 -2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.870 5.189 -1.748 1.00 0.00 H new ATOM 1513 N ARG A 95 11.403 6.851 -6.293 1.00 0.00 N ATOM 1514 CA ARG A 95 11.741 6.886 -7.691 1.00 0.00 C ATOM 1515 C ARG A 95 13.010 6.139 -7.980 1.00 0.00 C ATOM 1516 O ARG A 95 13.079 5.410 -8.952 1.00 0.00 O ATOM 1517 CB ARG A 95 11.872 8.320 -8.192 1.00 0.00 C ATOM 1518 CG ARG A 95 11.054 8.574 -9.432 1.00 0.00 C ATOM 1519 CD ARG A 95 11.891 9.186 -10.547 1.00 0.00 C ATOM 1520 NE ARG A 95 11.063 9.800 -11.582 1.00 0.00 N ATOM 1521 CZ ARG A 95 10.322 9.110 -12.446 1.00 0.00 C ATOM 1522 NH1 ARG A 95 10.297 7.784 -12.401 1.00 0.00 N ATOM 1523 NH2 ARG A 95 9.602 9.748 -13.359 1.00 0.00 N ATOM 0 H ARG A 95 11.454 7.751 -5.817 1.00 0.00 H new ATOM 0 HA ARG A 95 10.924 6.395 -8.220 1.00 0.00 H new ATOM 0 HB2 ARG A 95 11.557 9.006 -7.406 1.00 0.00 H new ATOM 0 HB3 ARG A 95 12.920 8.534 -8.402 1.00 0.00 H new ATOM 0 HG2 ARG A 95 10.618 7.637 -9.778 1.00 0.00 H new ATOM 0 HG3 ARG A 95 10.226 9.241 -9.191 1.00 0.00 H new ATOM 0 HD2 ARG A 95 12.561 9.936 -10.127 1.00 0.00 H new ATOM 0 HD3 ARG A 95 12.517 8.414 -10.995 1.00 0.00 H new ATOM 0 HE ARG A 95 11.052 10.818 -11.646 1.00 0.00 H new ATOM 0 HH11 ARG A 95 10.848 7.287 -11.701 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.727 7.262 -13.066 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.616 10.767 -13.399 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.034 9.220 -14.021 1.00 0.00 H new ATOM 1537 N LYS A 96 14.008 6.311 -7.143 1.00 0.00 N ATOM 1538 CA LYS A 96 15.264 5.627 -7.366 1.00 0.00 C ATOM 1539 C LYS A 96 15.130 4.170 -6.994 1.00 0.00 C ATOM 1540 O LYS A 96 15.762 3.291 -7.583 1.00 0.00 O ATOM 1541 CB LYS A 96 16.394 6.285 -6.576 1.00 0.00 C ATOM 1542 CG LYS A 96 16.405 7.801 -6.677 1.00 0.00 C ATOM 1543 CD LYS A 96 16.144 8.275 -8.098 1.00 0.00 C ATOM 1544 CE LYS A 96 15.209 9.468 -8.123 1.00 0.00 C ATOM 1545 NZ LYS A 96 15.901 10.728 -7.736 1.00 0.00 N ATOM 0 H LYS A 96 13.978 6.907 -6.316 1.00 0.00 H new ATOM 0 HA LYS A 96 15.514 5.698 -8.425 1.00 0.00 H new ATOM 0 HB2 LYS A 96 16.307 6.000 -5.528 1.00 0.00 H new ATOM 0 HB3 LYS A 96 17.349 5.899 -6.933 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.648 8.215 -6.011 1.00 0.00 H new ATOM 0 HG3 LYS A 96 17.369 8.181 -6.339 1.00 0.00 H new ATOM 0 HD2 LYS A 96 17.088 8.541 -8.573 1.00 0.00 H new ATOM 0 HD3 LYS A 96 15.713 7.461 -8.681 1.00 0.00 H new ATOM 0 HE2 LYS A 96 14.788 9.578 -9.123 1.00 0.00 H new ATOM 0 HE3 LYS A 96 14.375 9.289 -7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 15.226 11.518 -7.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 16.281 10.634 -6.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 16.681 10.913 -8.399 1.00 0.00 H new ATOM 1559 N TYR A 97 14.291 3.928 -6.006 1.00 0.00 N ATOM 1560 CA TYR A 97 14.047 2.594 -5.530 1.00 0.00 C ATOM 1561 C TYR A 97 13.110 1.836 -6.469 1.00 0.00 C ATOM 1562 O TYR A 97 13.333 0.667 -6.765 1.00 0.00 O ATOM 1563 CB TYR A 97 13.456 2.657 -4.116 1.00 0.00 C ATOM 1564 CG TYR A 97 12.816 1.375 -3.710 1.00 0.00 C ATOM 1565 CD1 TYR A 97 13.573 0.224 -3.581 1.00 0.00 C ATOM 1566 CD2 TYR A 97 11.454 1.302 -3.516 1.00 0.00 C ATOM 1567 CE1 TYR A 97 12.987 -0.973 -3.252 1.00 0.00 C ATOM 1568 CE2 TYR A 97 10.860 0.107 -3.201 1.00 0.00 C ATOM 1569 CZ TYR A 97 11.627 -1.029 -3.065 1.00 0.00 C ATOM 1570 OH TYR A 97 11.027 -2.227 -2.750 1.00 0.00 O ATOM 0 H TYR A 97 13.765 4.652 -5.517 1.00 0.00 H new ATOM 0 HA TYR A 97 14.993 2.054 -5.503 1.00 0.00 H new ATOM 0 HB2 TYR A 97 14.245 2.907 -3.406 1.00 0.00 H new ATOM 0 HB3 TYR A 97 12.719 3.459 -4.069 1.00 0.00 H new ATOM 0 HD1 TYR A 97 14.640 0.268 -3.741 1.00 0.00 H new ATOM 0 HD2 TYR A 97 10.850 2.192 -3.613 1.00 0.00 H new ATOM 0 HE1 TYR A 97 13.589 -1.862 -3.141 1.00 0.00 H new ATOM 0 HE2 TYR A 97 9.791 0.056 -3.059 1.00 0.00 H new ATOM 0 HH TYR A 97 11.703 -2.855 -2.421 1.00 0.00 H new ATOM 1580 N GLU A 98 12.069 2.510 -6.934 1.00 0.00 N ATOM 1581 CA GLU A 98 11.101 1.904 -7.832 1.00 0.00 C ATOM 1582 C GLU A 98 11.748 1.568 -9.157 1.00 0.00 C ATOM 1583 O GLU A 98 11.294 0.670 -9.860 1.00 0.00 O ATOM 1584 CB GLU A 98 9.903 2.831 -8.055 1.00 0.00 C ATOM 1585 CG GLU A 98 8.877 2.780 -6.934 1.00 0.00 C ATOM 1586 CD GLU A 98 7.457 2.964 -7.434 1.00 0.00 C ATOM 1587 OE1 GLU A 98 7.275 3.648 -8.462 1.00 0.00 O ATOM 1588 OE2 GLU A 98 6.528 2.424 -6.797 1.00 0.00 O ATOM 0 H GLU A 98 11.873 3.484 -6.701 1.00 0.00 H new ATOM 0 HA GLU A 98 10.743 0.985 -7.368 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.261 3.855 -8.162 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.417 2.564 -8.993 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.955 1.823 -6.418 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.104 3.556 -6.203 1.00 0.00 H new ATOM 1595 N ILE A 99 12.819 2.276 -9.500 1.00 0.00 N ATOM 1596 CA ILE A 99 13.505 2.000 -10.743 1.00 0.00 C ATOM 1597 C ILE A 99 14.250 0.701 -10.619 1.00 0.00 C ATOM 1598 O ILE A 99 14.098 -0.211 -11.432 1.00 0.00 O ATOM 1599 CB ILE A 99 14.514 3.092 -11.138 1.00 0.00 C ATOM 1600 CG1 ILE A 99 13.913 4.468 -10.942 1.00 0.00 C ATOM 1601 CG2 ILE A 99 14.968 2.900 -12.570 1.00 0.00 C ATOM 1602 CD1 ILE A 99 14.858 5.600 -11.272 1.00 0.00 C ATOM 0 H ILE A 99 13.220 3.030 -8.942 1.00 0.00 H new ATOM 0 HA ILE A 99 12.739 1.959 -11.518 1.00 0.00 H new ATOM 0 HB ILE A 99 15.386 3.008 -10.490 1.00 0.00 H new ATOM 0 HG12 ILE A 99 13.023 4.557 -11.565 1.00 0.00 H new ATOM 0 HG13 ILE A 99 13.589 4.568 -9.906 1.00 0.00 H new ATOM 0 HG21 ILE A 99 15.681 3.681 -12.833 1.00 0.00 H new ATOM 0 HG22 ILE A 99 15.443 1.924 -12.673 1.00 0.00 H new ATOM 0 HG23 ILE A 99 14.107 2.956 -13.235 1.00 0.00 H new ATOM 0 HD11 ILE A 99 14.356 6.553 -11.107 1.00 0.00 H new ATOM 0 HD12 ILE A 99 15.738 5.538 -10.632 1.00 0.00 H new ATOM 0 HD13 ILE A 99 15.163 5.527 -12.316 1.00 0.00 H new ATOM 1614 N ALA A 100 15.040 0.619 -9.564 1.00 0.00 N ATOM 1615 CA ALA A 100 15.802 -0.586 -9.286 1.00 0.00 C ATOM 1616 C ALA A 100 14.869 -1.764 -9.086 1.00 0.00 C ATOM 1617 O ALA A 100 15.291 -2.920 -9.048 1.00 0.00 O ATOM 1618 CB ALA A 100 16.690 -0.384 -8.068 1.00 0.00 C ATOM 0 H ALA A 100 15.171 1.370 -8.887 1.00 0.00 H new ATOM 0 HA ALA A 100 16.443 -0.800 -10.141 1.00 0.00 H new ATOM 0 HB1 ALA A 100 17.254 -1.296 -7.874 1.00 0.00 H new ATOM 0 HB2 ALA A 100 17.382 0.438 -8.254 1.00 0.00 H new ATOM 0 HB3 ALA A 100 16.072 -0.148 -7.202 1.00 0.00 H new ATOM 1624 N LYS A 101 13.595 -1.447 -8.949 1.00 0.00 N ATOM 1625 CA LYS A 101 12.567 -2.423 -8.741 1.00 0.00 C ATOM 1626 C LYS A 101 11.682 -2.575 -9.979 1.00 0.00 C ATOM 1627 O LYS A 101 11.097 -3.633 -10.213 1.00 0.00 O ATOM 1628 CB LYS A 101 11.761 -1.970 -7.546 1.00 0.00 C ATOM 1629 CG LYS A 101 12.606 -1.777 -6.300 1.00 0.00 C ATOM 1630 CD LYS A 101 12.687 -3.043 -5.477 1.00 0.00 C ATOM 1631 CE LYS A 101 14.067 -3.678 -5.554 1.00 0.00 C ATOM 1632 NZ LYS A 101 15.149 -2.689 -5.290 1.00 0.00 N ATOM 0 H LYS A 101 13.251 -0.487 -8.981 1.00 0.00 H new ATOM 0 HA LYS A 101 13.006 -3.404 -8.559 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.259 -1.033 -7.787 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.982 -2.704 -7.340 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.610 -1.464 -6.586 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.183 -0.976 -5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.448 -2.817 -4.438 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.939 -3.754 -5.829 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.134 -4.491 -4.831 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.210 -4.118 -6.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.935 -3.158 -4.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.491 -2.299 -6.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.778 -1.918 -4.698 1.00 0.00 H new ATOM 1646 N GLY A 102 11.581 -1.502 -10.757 1.00 0.00 N ATOM 1647 CA GLY A 102 10.757 -1.511 -11.956 1.00 0.00 C ATOM 1648 C GLY A 102 9.275 -1.465 -11.629 1.00 0.00 C ATOM 1649 O GLY A 102 8.483 -2.221 -12.192 1.00 0.00 O ATOM 0 H GLY A 102 12.059 -0.619 -10.578 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.017 -0.656 -12.581 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.972 -2.408 -12.537 1.00 0.00 H new ATOM 1653 N LEU A 103 8.908 -0.600 -10.685 1.00 0.00 N ATOM 1654 CA LEU A 103 7.513 -0.479 -10.240 1.00 0.00 C ATOM 1655 C LEU A 103 6.794 0.670 -10.905 1.00 0.00 C ATOM 1656 O LEU A 103 6.001 1.378 -10.286 1.00 0.00 O ATOM 1657 CB LEU A 103 7.479 -0.333 -8.728 1.00 0.00 C ATOM 1658 CG LEU A 103 8.560 -1.147 -8.033 1.00 0.00 C ATOM 1659 CD1 LEU A 103 8.281 -1.278 -6.547 1.00 0.00 C ATOM 1660 CD2 LEU A 103 8.687 -2.511 -8.700 1.00 0.00 C ATOM 0 H LEU A 103 9.555 0.030 -10.211 1.00 0.00 H new ATOM 0 HA LEU A 103 6.985 -1.386 -10.535 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.598 0.718 -8.466 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.502 -0.645 -8.359 1.00 0.00 H new ATOM 0 HG LEU A 103 9.511 -0.624 -8.132 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.071 -1.865 -6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.248 -0.287 -6.094 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.323 -1.776 -6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.462 -3.090 -8.199 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.737 -3.040 -8.630 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.953 -2.380 -9.749 1.00 0.00 H new