USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 527 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 53 LYS NZ :NH3+ -152:sc= -0.0377 (180deg=-0.612) USER MOD Set 1.2: A 55 LYS NZ :NH3+ -171:sc= -0.0101 (180deg=-0.0406) USER MOD Set 2.1: A 38 LYS NZ :NH3+ -136:sc= 1.37 (180deg=-1.1) USER MOD Set 2.2: A 45 MET CE :methyl -126:sc=-0.00224 (180deg=-0.122) USER MOD Set 3.1: A 13 THR OG1 : rot -92:sc= -1.35 USER MOD Set 3.2: A 51 GLN : amide:sc= -23.5! C(o=-25!,f=-38!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -146:sc= -2.14 USER MOD Single : A 20 SER OG : rot -44:sc= 0.712 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 29 LYS NZ :NH3+ -141:sc= -0.845 (180deg=-2.98!) USER MOD Single : A 37 ASN : amide:sc= -0.256 K(o=-0.26,f=-1.1) USER MOD Single : A 39 ASN : amide:sc= -0.374 X(o=-0.37,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.56 K(o=-0.56,f=-2.8) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.419 F(o=-4!,f=-0.42) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.424 F(o=-1.4,f=-0.42) USER MOD Single : A 56 GLN : amide:sc= -5.23! C(o=-5.2!,f=-8.9!) USER MOD Single : A 59 LYS NZ :NH3+ -179:sc= -5.99! (180deg=-5.99!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -0.238 13.516 -2.907 1.00 0.00 N ATOM 2 CA ILE A 6 0.689 14.103 -1.900 1.00 0.00 C ATOM 3 C ILE A 6 2.094 13.503 -2.117 1.00 0.00 C ATOM 4 O ILE A 6 2.223 12.306 -2.282 1.00 0.00 O ATOM 5 CB ILE A 6 0.152 13.768 -0.476 1.00 0.00 C ATOM 6 CG1 ILE A 6 -0.802 14.893 -0.024 1.00 0.00 C ATOM 7 CG2 ILE A 6 1.303 13.613 0.551 1.00 0.00 C ATOM 8 CD1 ILE A 6 -1.292 14.635 1.400 1.00 0.00 C ATOM 0 HA ILE A 6 0.750 15.186 -2.005 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.377 12.816 -0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.289 15.854 -0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.653 14.952 -0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.887 13.380 1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.965 12.806 0.236 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.867 14.544 0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.964 15.437 1.704 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.823 13.684 1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.439 14.600 2.078 1.00 0.00 H new ATOM 20 N PRO A 7 3.147 14.296 -2.089 1.00 0.00 N ATOM 21 CA PRO A 7 4.520 13.751 -2.261 1.00 0.00 C ATOM 22 C PRO A 7 4.729 12.515 -1.376 1.00 0.00 C ATOM 23 O PRO A 7 4.722 12.596 -0.166 1.00 0.00 O ATOM 24 CB PRO A 7 5.448 14.902 -1.847 1.00 0.00 C ATOM 25 CG PRO A 7 4.639 16.157 -2.011 1.00 0.00 C ATOM 26 CD PRO A 7 3.155 15.762 -1.903 1.00 0.00 C ATOM 0 HA PRO A 7 4.714 13.421 -3.282 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.782 14.784 -0.816 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.341 14.928 -2.471 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.900 16.885 -1.243 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.844 16.623 -2.975 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.740 16.041 -0.935 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.555 16.262 -2.664 1.00 0.00 H new ATOM 34 N ILE A 8 4.886 11.377 -1.989 1.00 0.00 N ATOM 35 CA ILE A 8 5.071 10.105 -1.244 1.00 0.00 C ATOM 36 C ILE A 8 5.863 10.302 0.070 1.00 0.00 C ATOM 37 O ILE A 8 5.506 9.761 1.097 1.00 0.00 O ATOM 38 CB ILE A 8 5.812 9.139 -2.169 1.00 0.00 C ATOM 39 CG1 ILE A 8 5.712 7.739 -1.595 1.00 0.00 C ATOM 40 CG2 ILE A 8 7.264 9.556 -2.302 1.00 0.00 C ATOM 41 CD1 ILE A 8 6.503 6.765 -2.465 1.00 0.00 C ATOM 0 H ILE A 8 4.894 11.275 -3.004 1.00 0.00 H new ATOM 0 HA ILE A 8 4.096 9.712 -0.957 1.00 0.00 H new ATOM 0 HB ILE A 8 5.361 9.157 -3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.098 7.726 -0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.668 7.430 -1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.783 8.862 -2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.317 10.562 -2.719 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.737 9.545 -1.320 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.428 5.761 -2.048 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.097 6.769 -3.477 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.549 7.069 -2.492 1.00 0.00 H new ATOM 53 N TRP A 9 6.936 11.049 0.045 1.00 0.00 N ATOM 54 CA TRP A 9 7.748 11.249 1.296 1.00 0.00 C ATOM 55 C TRP A 9 6.982 12.142 2.291 1.00 0.00 C ATOM 56 O TRP A 9 7.557 12.635 3.240 1.00 0.00 O ATOM 57 CB TRP A 9 9.108 11.910 0.938 1.00 0.00 C ATOM 58 CG TRP A 9 8.951 12.649 -0.345 1.00 0.00 C ATOM 59 CD1 TRP A 9 8.472 13.906 -0.472 1.00 0.00 C ATOM 60 CD2 TRP A 9 9.220 12.173 -1.687 1.00 0.00 C ATOM 61 NE1 TRP A 9 8.428 14.229 -1.811 1.00 0.00 N ATOM 62 CE2 TRP A 9 8.868 13.190 -2.601 1.00 0.00 C ATOM 63 CE3 TRP A 9 9.724 10.963 -2.195 1.00 0.00 C ATOM 64 CZ2 TRP A 9 9.001 13.014 -3.971 1.00 0.00 C ATOM 65 CZ3 TRP A 9 9.853 10.781 -3.578 1.00 0.00 C ATOM 66 CH2 TRP A 9 9.488 11.805 -4.461 1.00 0.00 C ATOM 0 H TRP A 9 7.289 11.530 -0.782 1.00 0.00 H new ATOM 0 HA TRP A 9 7.928 10.279 1.759 1.00 0.00 H new ATOM 0 HB2 TRP A 9 9.419 12.590 1.731 1.00 0.00 H new ATOM 0 HB3 TRP A 9 9.885 11.151 0.845 1.00 0.00 H new ATOM 0 HD1 TRP A 9 8.173 14.551 0.341 1.00 0.00 H new ATOM 0 HE1 TRP A 9 8.109 15.128 -2.173 1.00 0.00 H new ATOM 0 HE3 TRP A 9 10.012 10.172 -1.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 8.729 13.808 -4.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 10.235 9.848 -3.965 1.00 0.00 H new ATOM 0 HH2 TRP A 9 9.585 11.656 -5.526 1.00 0.00 H new ATOM 77 N GLU A 10 5.699 12.363 2.084 1.00 0.00 N ATOM 78 CA GLU A 10 4.915 13.239 3.030 1.00 0.00 C ATOM 79 C GLU A 10 3.633 12.530 3.491 1.00 0.00 C ATOM 80 O GLU A 10 3.120 12.810 4.556 1.00 0.00 O ATOM 81 CB GLU A 10 4.548 14.557 2.325 1.00 0.00 C ATOM 82 CG GLU A 10 5.746 15.512 2.361 1.00 0.00 C ATOM 83 CD GLU A 10 5.487 16.693 1.424 1.00 0.00 C ATOM 84 OE1 GLU A 10 4.419 17.275 1.517 1.00 0.00 O ATOM 85 OE2 GLU A 10 6.362 16.995 0.629 1.00 0.00 O ATOM 0 H GLU A 10 5.162 11.978 1.307 1.00 0.00 H new ATOM 0 HA GLU A 10 5.532 13.446 3.904 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.258 14.360 1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.690 15.016 2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.909 15.870 3.378 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.652 14.987 2.059 1.00 0.00 H new ATOM 92 N ARG A 11 3.098 11.628 2.711 1.00 0.00 N ATOM 93 CA ARG A 11 1.843 10.940 3.144 1.00 0.00 C ATOM 94 C ARG A 11 2.168 9.868 4.185 1.00 0.00 C ATOM 95 O ARG A 11 3.315 9.571 4.455 1.00 0.00 O ATOM 96 CB ARG A 11 1.139 10.296 1.944 1.00 0.00 C ATOM 97 CG ARG A 11 2.102 9.379 1.184 1.00 0.00 C ATOM 98 CD ARG A 11 1.527 9.086 -0.207 1.00 0.00 C ATOM 99 NE ARG A 11 0.042 9.002 -0.129 1.00 0.00 N ATOM 100 CZ ARG A 11 -0.671 9.082 -1.221 1.00 0.00 C ATOM 101 NH1 ARG A 11 -0.080 9.221 -2.377 1.00 0.00 N ATOM 102 NH2 ARG A 11 -1.973 9.027 -1.157 1.00 0.00 N ATOM 0 H ARG A 11 3.468 11.340 1.805 1.00 0.00 H new ATOM 0 HA ARG A 11 1.177 11.683 3.584 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.276 9.724 2.285 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.763 11.071 1.276 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.080 9.853 1.094 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.248 8.449 1.734 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.820 9.870 -0.905 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.934 8.150 -0.590 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.417 8.882 0.774 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.938 9.267 -2.427 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.636 9.283 -3.230 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.435 8.921 -0.254 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.529 9.090 -2.010 1.00 0.00 H new ATOM 116 N TYR A 12 1.154 9.292 4.780 1.00 0.00 N ATOM 117 CA TYR A 12 1.371 8.240 5.822 1.00 0.00 C ATOM 118 C TYR A 12 1.170 6.855 5.203 1.00 0.00 C ATOM 119 O TYR A 12 1.594 5.856 5.751 1.00 0.00 O ATOM 120 CB TYR A 12 0.366 8.445 6.962 1.00 0.00 C ATOM 121 CG TYR A 12 -0.994 8.779 6.389 1.00 0.00 C ATOM 122 CD1 TYR A 12 -1.231 10.045 5.840 1.00 0.00 C ATOM 123 CD2 TYR A 12 -2.018 7.823 6.409 1.00 0.00 C ATOM 124 CE1 TYR A 12 -2.489 10.356 5.309 1.00 0.00 C ATOM 125 CE2 TYR A 12 -3.276 8.134 5.879 1.00 0.00 C ATOM 126 CZ TYR A 12 -3.511 9.400 5.330 1.00 0.00 C ATOM 127 OH TYR A 12 -4.752 9.707 4.810 1.00 0.00 O ATOM 0 H TYR A 12 0.176 9.507 4.587 1.00 0.00 H new ATOM 0 HA TYR A 12 2.386 8.315 6.211 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.303 7.543 7.571 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.703 9.249 7.617 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.442 10.783 5.826 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.837 6.846 6.833 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.670 11.332 4.884 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.065 7.397 5.894 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.346 8.933 4.902 1.00 0.00 H new ATOM 137 N THR A 13 0.533 6.790 4.062 1.00 0.00 N ATOM 138 CA THR A 13 0.302 5.473 3.386 1.00 0.00 C ATOM 139 C THR A 13 0.665 5.611 1.905 1.00 0.00 C ATOM 140 O THR A 13 0.697 6.699 1.366 1.00 0.00 O ATOM 141 CB THR A 13 -1.176 5.073 3.524 1.00 0.00 C ATOM 142 OG1 THR A 13 -1.991 6.212 3.282 1.00 0.00 O ATOM 143 CG2 THR A 13 -1.477 4.524 4.936 1.00 0.00 C ATOM 0 H THR A 13 0.159 7.598 3.564 1.00 0.00 H new ATOM 0 HA THR A 13 0.921 4.704 3.849 1.00 0.00 H new ATOM 0 HB THR A 13 -1.390 4.289 2.798 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.173 6.670 4.129 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.530 4.250 5.003 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.860 3.645 5.124 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.254 5.289 5.679 1.00 0.00 H new ATOM 151 N LEU A 14 0.956 4.514 1.248 1.00 0.00 N ATOM 152 CA LEU A 14 1.343 4.560 -0.200 1.00 0.00 C ATOM 153 C LEU A 14 0.238 3.959 -1.064 1.00 0.00 C ATOM 154 O LEU A 14 -0.352 2.959 -0.732 1.00 0.00 O ATOM 155 CB LEU A 14 2.635 3.750 -0.383 1.00 0.00 C ATOM 156 CG LEU A 14 3.837 4.657 -0.135 1.00 0.00 C ATOM 157 CD1 LEU A 14 3.777 5.232 1.290 1.00 0.00 C ATOM 158 CD2 LEU A 14 5.129 3.863 -0.331 1.00 0.00 C ATOM 0 H LEU A 14 0.942 3.579 1.656 1.00 0.00 H new ATOM 0 HA LEU A 14 1.496 5.595 -0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.651 2.908 0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.679 3.336 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 14 3.817 5.483 -0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.639 5.878 1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.861 5.810 1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.789 4.416 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.986 4.513 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.154 3.030 0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.169 3.480 -1.351 1.00 0.00 H new ATOM 170 N THR A 15 -0.033 4.558 -2.183 1.00 0.00 N ATOM 171 CA THR A 15 -1.093 4.015 -3.071 1.00 0.00 C ATOM 172 C THR A 15 -0.537 2.837 -3.852 1.00 0.00 C ATOM 173 O THR A 15 0.516 2.313 -3.547 1.00 0.00 O ATOM 174 CB THR A 15 -1.531 5.083 -4.062 1.00 0.00 C ATOM 175 OG1 THR A 15 -0.415 5.492 -4.833 1.00 0.00 O ATOM 176 CG2 THR A 15 -2.095 6.278 -3.312 1.00 0.00 C ATOM 0 H THR A 15 0.432 5.400 -2.523 1.00 0.00 H new ATOM 0 HA THR A 15 -1.941 3.702 -2.462 1.00 0.00 H new ATOM 0 HB THR A 15 -2.300 4.676 -4.718 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.497 6.445 -5.047 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.408 7.041 -4.025 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.953 5.963 -2.718 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.329 6.689 -2.654 1.00 0.00 H new ATOM 184 N ILE A 16 -1.227 2.429 -4.873 1.00 0.00 N ATOM 185 CA ILE A 16 -0.729 1.304 -5.686 1.00 0.00 C ATOM 186 C ILE A 16 0.466 1.806 -6.504 1.00 0.00 C ATOM 187 O ILE A 16 1.434 1.103 -6.711 1.00 0.00 O ATOM 188 CB ILE A 16 -1.841 0.834 -6.639 1.00 0.00 C ATOM 189 CG1 ILE A 16 -2.878 -0.018 -5.869 1.00 0.00 C ATOM 190 CG2 ILE A 16 -1.228 0.026 -7.795 1.00 0.00 C ATOM 191 CD1 ILE A 16 -2.428 -1.483 -5.780 1.00 0.00 C ATOM 0 H ILE A 16 -2.115 2.829 -5.177 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.431 0.472 -5.048 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.351 1.704 -7.052 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.013 0.386 -4.866 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.845 0.040 -6.369 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.019 -0.305 -8.467 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.524 0.652 -8.343 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.705 -0.843 -7.395 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.174 -2.060 -5.234 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.317 -1.891 -6.785 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.473 -1.539 -5.258 1.00 0.00 H new ATOM 203 N GLU A 17 0.389 3.020 -6.982 1.00 0.00 N ATOM 204 CA GLU A 17 1.505 3.570 -7.799 1.00 0.00 C ATOM 205 C GLU A 17 2.720 3.811 -6.905 1.00 0.00 C ATOM 206 O GLU A 17 3.823 3.423 -7.233 1.00 0.00 O ATOM 207 CB GLU A 17 1.079 4.878 -8.482 1.00 0.00 C ATOM 208 CG GLU A 17 0.332 5.781 -7.499 1.00 0.00 C ATOM 209 CD GLU A 17 -0.025 7.096 -8.192 1.00 0.00 C ATOM 210 OE1 GLU A 17 0.856 7.930 -8.322 1.00 0.00 O ATOM 211 OE2 GLU A 17 -1.171 7.248 -8.580 1.00 0.00 O ATOM 0 H GLU A 17 -0.399 3.652 -6.841 1.00 0.00 H new ATOM 0 HA GLU A 17 1.766 2.850 -8.575 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.957 5.397 -8.865 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.441 4.657 -9.338 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.572 5.285 -7.147 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.951 5.975 -6.623 1.00 0.00 H new ATOM 218 N GLU A 18 2.538 4.431 -5.769 1.00 0.00 N ATOM 219 CA GLU A 18 3.698 4.657 -4.877 1.00 0.00 C ATOM 220 C GLU A 18 4.198 3.294 -4.390 1.00 0.00 C ATOM 221 O GLU A 18 5.383 3.068 -4.265 1.00 0.00 O ATOM 222 CB GLU A 18 3.288 5.528 -3.680 1.00 0.00 C ATOM 223 CG GLU A 18 2.612 6.829 -4.147 1.00 0.00 C ATOM 224 CD GLU A 18 3.422 7.479 -5.273 1.00 0.00 C ATOM 225 OE1 GLU A 18 4.505 7.965 -4.992 1.00 0.00 O ATOM 226 OE2 GLU A 18 2.945 7.477 -6.396 1.00 0.00 O ATOM 0 H GLU A 18 1.644 4.785 -5.428 1.00 0.00 H new ATOM 0 HA GLU A 18 4.489 5.177 -5.418 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.606 4.971 -3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.167 5.766 -3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.601 6.616 -4.494 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.522 7.521 -3.309 1.00 0.00 H new ATOM 233 N ALA A 19 3.304 2.375 -4.130 1.00 0.00 N ATOM 234 CA ALA A 19 3.738 1.025 -3.668 1.00 0.00 C ATOM 235 C ALA A 19 4.495 0.322 -4.796 1.00 0.00 C ATOM 236 O ALA A 19 5.575 -0.190 -4.603 1.00 0.00 O ATOM 237 CB ALA A 19 2.518 0.185 -3.276 1.00 0.00 C ATOM 0 H ALA A 19 2.296 2.501 -4.218 1.00 0.00 H new ATOM 0 HA ALA A 19 4.388 1.138 -2.800 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.846 -0.799 -2.940 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.978 0.682 -2.470 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.861 0.073 -4.138 1.00 0.00 H new ATOM 243 N SER A 20 3.937 0.277 -5.971 1.00 0.00 N ATOM 244 CA SER A 20 4.645 -0.410 -7.081 1.00 0.00 C ATOM 245 C SER A 20 6.059 0.168 -7.239 1.00 0.00 C ATOM 246 O SER A 20 7.010 -0.557 -7.400 1.00 0.00 O ATOM 247 CB SER A 20 3.859 -0.237 -8.375 1.00 0.00 C ATOM 248 OG SER A 20 3.938 1.119 -8.800 1.00 0.00 O ATOM 0 H SER A 20 3.031 0.682 -6.209 1.00 0.00 H new ATOM 0 HA SER A 20 4.725 -1.473 -6.853 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.259 -0.895 -9.147 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.818 -0.521 -8.222 1.00 0.00 H new ATOM 0 HG SER A 20 3.802 1.711 -8.031 1.00 0.00 H new ATOM 254 N LYS A 21 6.218 1.461 -7.191 1.00 0.00 N ATOM 255 CA LYS A 21 7.593 2.037 -7.329 1.00 0.00 C ATOM 256 C LYS A 21 8.371 1.826 -6.023 1.00 0.00 C ATOM 257 O LYS A 21 9.410 1.197 -5.992 1.00 0.00 O ATOM 258 CB LYS A 21 7.502 3.534 -7.628 1.00 0.00 C ATOM 259 CG LYS A 21 8.879 4.048 -8.059 1.00 0.00 C ATOM 260 CD LYS A 21 8.839 5.573 -8.232 1.00 0.00 C ATOM 261 CE LYS A 21 8.598 6.262 -6.878 1.00 0.00 C ATOM 262 NZ LYS A 21 9.198 7.626 -6.907 1.00 0.00 N ATOM 0 H LYS A 21 5.468 2.140 -7.064 1.00 0.00 H new ATOM 0 HA LYS A 21 8.109 1.537 -8.148 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.770 3.716 -8.415 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.160 4.073 -6.745 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.627 3.778 -7.314 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.176 3.575 -8.995 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.778 5.921 -8.662 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.048 5.845 -8.931 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.529 6.326 -6.675 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.041 5.674 -6.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.037 8.095 -5.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.220 7.552 -7.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.756 8.184 -7.665 1.00 0.00 H new ATOM 276 N TYR A 22 7.862 2.362 -4.950 1.00 0.00 N ATOM 277 CA TYR A 22 8.526 2.234 -3.614 1.00 0.00 C ATOM 278 C TYR A 22 8.596 0.753 -3.210 1.00 0.00 C ATOM 279 O TYR A 22 9.652 0.204 -2.967 1.00 0.00 O ATOM 280 CB TYR A 22 7.647 2.999 -2.618 1.00 0.00 C ATOM 281 CG TYR A 22 8.413 3.465 -1.399 1.00 0.00 C ATOM 282 CD1 TYR A 22 9.107 4.681 -1.427 1.00 0.00 C ATOM 283 CD2 TYR A 22 8.376 2.709 -0.222 1.00 0.00 C ATOM 284 CE1 TYR A 22 9.766 5.139 -0.278 1.00 0.00 C ATOM 285 CE2 TYR A 22 9.040 3.159 0.924 1.00 0.00 C ATOM 286 CZ TYR A 22 9.733 4.376 0.898 1.00 0.00 C ATOM 287 OH TYR A 22 10.381 4.826 2.031 1.00 0.00 O ATOM 0 H TYR A 22 6.993 2.897 -4.939 1.00 0.00 H new ATOM 0 HA TYR A 22 9.541 2.630 -3.635 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.207 3.862 -3.117 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.823 2.359 -2.301 1.00 0.00 H new ATOM 0 HD1 TYR A 22 9.134 5.266 -2.334 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.833 1.776 -0.198 1.00 0.00 H new ATOM 0 HE1 TYR A 22 10.299 6.078 -0.298 1.00 0.00 H new ATOM 0 HE2 TYR A 22 9.018 2.569 1.828 1.00 0.00 H new ATOM 0 HH TYR A 22 10.258 4.179 2.757 1.00 0.00 H new ATOM 297 N PHE A 23 7.459 0.116 -3.145 1.00 0.00 N ATOM 298 CA PHE A 23 7.386 -1.324 -2.768 1.00 0.00 C ATOM 299 C PHE A 23 7.396 -2.166 -4.040 1.00 0.00 C ATOM 300 O PHE A 23 6.400 -2.756 -4.385 1.00 0.00 O ATOM 301 CB PHE A 23 6.079 -1.590 -1.998 1.00 0.00 C ATOM 302 CG PHE A 23 6.261 -1.241 -0.543 1.00 0.00 C ATOM 303 CD1 PHE A 23 6.757 -2.203 0.337 1.00 0.00 C ATOM 304 CD2 PHE A 23 5.938 0.037 -0.081 1.00 0.00 C ATOM 305 CE1 PHE A 23 6.934 -1.893 1.686 1.00 0.00 C ATOM 306 CE2 PHE A 23 6.113 0.355 1.271 1.00 0.00 C ATOM 307 CZ PHE A 23 6.613 -0.611 2.157 1.00 0.00 C ATOM 0 H PHE A 23 6.555 0.545 -3.343 1.00 0.00 H new ATOM 0 HA PHE A 23 8.237 -1.583 -2.138 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.269 -0.999 -2.424 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.795 -2.638 -2.097 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.004 -3.189 -0.026 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.554 0.779 -0.766 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.318 -2.639 2.366 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.864 1.342 1.631 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.751 -0.368 3.200 1.00 0.00 H new ATOM 317 N ARG A 24 8.494 -2.199 -4.747 1.00 0.00 N ATOM 318 CA ARG A 24 8.554 -2.993 -6.020 1.00 0.00 C ATOM 319 C ARG A 24 7.839 -4.340 -5.848 1.00 0.00 C ATOM 320 O ARG A 24 8.437 -5.350 -5.534 1.00 0.00 O ATOM 321 CB ARG A 24 10.023 -3.218 -6.439 1.00 0.00 C ATOM 322 CG ARG A 24 10.569 -1.994 -7.221 1.00 0.00 C ATOM 323 CD ARG A 24 11.211 -0.987 -6.259 1.00 0.00 C ATOM 324 NE ARG A 24 12.581 -1.450 -5.897 1.00 0.00 N ATOM 325 CZ ARG A 24 13.433 -0.618 -5.362 1.00 0.00 C ATOM 326 NH1 ARG A 24 13.095 0.628 -5.166 1.00 0.00 N ATOM 327 NH2 ARG A 24 14.626 -1.031 -5.031 1.00 0.00 N ATOM 0 H ARG A 24 9.356 -1.711 -4.502 1.00 0.00 H new ATOM 0 HA ARG A 24 8.047 -2.430 -6.804 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.635 -3.392 -5.554 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.096 -4.112 -7.058 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.303 -2.323 -7.957 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.759 -1.515 -7.771 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.259 -0.003 -6.725 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.601 -0.885 -5.362 1.00 0.00 H new ATOM 0 HE ARG A 24 12.853 -2.418 -6.068 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.165 0.952 -5.431 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.761 1.277 -4.748 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.892 -2.003 -5.190 1.00 0.00 H new ATOM 0 HH22 ARG A 24 15.293 -0.382 -4.613 1.00 0.00 H new ATOM 341 N ILE A 25 6.550 -4.337 -6.067 1.00 0.00 N ATOM 342 CA ILE A 25 5.727 -5.578 -5.946 1.00 0.00 C ATOM 343 C ILE A 25 4.764 -5.589 -7.145 1.00 0.00 C ATOM 344 O ILE A 25 4.370 -4.552 -7.639 1.00 0.00 O ATOM 345 CB ILE A 25 4.940 -5.546 -4.593 1.00 0.00 C ATOM 346 CG1 ILE A 25 5.640 -6.415 -3.510 1.00 0.00 C ATOM 347 CG2 ILE A 25 3.500 -6.053 -4.777 1.00 0.00 C ATOM 348 CD1 ILE A 25 6.759 -5.626 -2.811 1.00 0.00 C ATOM 0 H ILE A 25 6.021 -3.506 -6.331 1.00 0.00 H new ATOM 0 HA ILE A 25 6.343 -6.477 -5.950 1.00 0.00 H new ATOM 0 HB ILE A 25 4.921 -4.507 -4.264 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.907 -6.745 -2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.055 -7.312 -3.970 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.978 -6.019 -3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.981 -5.420 -5.497 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.520 -7.079 -5.144 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.233 -6.256 -2.058 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.502 -5.319 -3.547 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.337 -4.743 -2.332 1.00 0.00 H new ATOM 360 N GLY A 26 4.381 -6.743 -7.612 1.00 0.00 N ATOM 361 CA GLY A 26 3.446 -6.791 -8.771 1.00 0.00 C ATOM 362 C GLY A 26 2.172 -6.016 -8.428 1.00 0.00 C ATOM 363 O GLY A 26 1.443 -6.369 -7.522 1.00 0.00 O ATOM 0 H GLY A 26 4.672 -7.649 -7.245 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.920 -6.361 -9.653 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.202 -7.825 -9.013 1.00 0.00 H new ATOM 367 N GLU A 27 1.895 -4.962 -9.149 1.00 0.00 N ATOM 368 CA GLU A 27 0.666 -4.162 -8.870 1.00 0.00 C ATOM 369 C GLU A 27 -0.532 -5.110 -8.706 1.00 0.00 C ATOM 370 O GLU A 27 -1.513 -4.788 -8.066 1.00 0.00 O ATOM 371 CB GLU A 27 0.399 -3.220 -10.054 1.00 0.00 C ATOM 372 CG GLU A 27 1.301 -1.985 -9.956 1.00 0.00 C ATOM 373 CD GLU A 27 1.375 -1.291 -11.319 1.00 0.00 C ATOM 374 OE1 GLU A 27 1.968 -1.859 -12.220 1.00 0.00 O ATOM 375 OE2 GLU A 27 0.836 -0.202 -11.437 1.00 0.00 O ATOM 0 H GLU A 27 2.468 -4.620 -9.921 1.00 0.00 H new ATOM 0 HA GLU A 27 0.806 -3.583 -7.957 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.584 -3.742 -10.993 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.648 -2.916 -10.059 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.911 -1.296 -9.207 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.300 -2.277 -9.631 1.00 0.00 H new ATOM 382 N ASN A 28 -0.459 -6.269 -9.305 1.00 0.00 N ATOM 383 CA ASN A 28 -1.587 -7.243 -9.222 1.00 0.00 C ATOM 384 C ASN A 28 -1.776 -7.751 -7.788 1.00 0.00 C ATOM 385 O ASN A 28 -2.886 -7.973 -7.347 1.00 0.00 O ATOM 386 CB ASN A 28 -1.296 -8.431 -10.141 1.00 0.00 C ATOM 387 CG ASN A 28 -1.263 -7.953 -11.594 1.00 0.00 C ATOM 388 OD1 ASN A 28 -2.132 -7.220 -12.024 1.00 0.00 O ATOM 389 ND2 ASN A 28 -0.290 -8.337 -12.373 1.00 0.00 N ATOM 0 H ASN A 28 0.341 -6.585 -9.853 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.501 -6.737 -9.532 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.342 -8.886 -9.874 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.061 -9.198 -10.016 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.258 -8.022 -13.343 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.439 -8.952 -12.013 1.00 0.00 H new ATOM 396 N LYS A 29 -0.714 -7.952 -7.055 1.00 0.00 N ATOM 397 CA LYS A 29 -0.874 -8.461 -5.661 1.00 0.00 C ATOM 398 C LYS A 29 -1.504 -7.372 -4.802 1.00 0.00 C ATOM 399 O LYS A 29 -2.527 -7.569 -4.180 1.00 0.00 O ATOM 400 CB LYS A 29 0.489 -8.835 -5.069 1.00 0.00 C ATOM 401 CG LYS A 29 1.078 -10.037 -5.817 1.00 0.00 C ATOM 402 CD LYS A 29 1.652 -9.597 -7.175 1.00 0.00 C ATOM 403 CE LYS A 29 2.695 -10.613 -7.638 1.00 0.00 C ATOM 404 NZ LYS A 29 3.181 -10.245 -8.998 1.00 0.00 N ATOM 0 H LYS A 29 0.247 -7.788 -7.356 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.510 -9.346 -5.679 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.169 -7.986 -5.137 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.381 -9.073 -4.011 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.862 -10.498 -5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.307 -10.792 -5.969 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.853 -9.518 -7.912 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.104 -8.609 -7.088 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.529 -10.638 -6.937 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.262 -11.613 -7.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.311 -11.107 -9.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.483 -9.628 -9.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.088 -9.742 -8.918 1.00 0.00 H new ATOM 418 N LEU A 30 -0.901 -6.222 -4.768 1.00 0.00 N ATOM 419 CA LEU A 30 -1.460 -5.107 -3.955 1.00 0.00 C ATOM 420 C LEU A 30 -2.940 -4.920 -4.300 1.00 0.00 C ATOM 421 O LEU A 30 -3.749 -4.581 -3.459 1.00 0.00 O ATOM 422 CB LEU A 30 -0.697 -3.824 -4.290 1.00 0.00 C ATOM 423 CG LEU A 30 0.763 -3.924 -3.806 1.00 0.00 C ATOM 424 CD1 LEU A 30 1.655 -3.006 -4.654 1.00 0.00 C ATOM 425 CD2 LEU A 30 0.861 -3.493 -2.337 1.00 0.00 C ATOM 0 H LEU A 30 -0.041 -6.002 -5.270 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.361 -5.334 -2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.719 -3.651 -5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.185 -2.970 -3.820 1.00 0.00 H new ATOM 0 HG LEU A 30 1.094 -4.958 -3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.686 -3.080 -4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.600 -3.310 -5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.313 -1.976 -4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.896 -3.567 -2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.521 -2.462 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.236 -4.143 -1.725 1.00 0.00 H new ATOM 437 N ARG A 31 -3.293 -5.132 -5.537 1.00 0.00 N ATOM 438 CA ARG A 31 -4.713 -4.963 -5.957 1.00 0.00 C ATOM 439 C ARG A 31 -5.551 -6.141 -5.448 1.00 0.00 C ATOM 440 O ARG A 31 -6.684 -5.975 -5.042 1.00 0.00 O ATOM 441 CB ARG A 31 -4.774 -4.904 -7.490 1.00 0.00 C ATOM 442 CG ARG A 31 -6.233 -4.803 -7.964 1.00 0.00 C ATOM 443 CD ARG A 31 -6.281 -4.642 -9.495 1.00 0.00 C ATOM 444 NE ARG A 31 -7.461 -3.801 -9.875 1.00 0.00 N ATOM 445 CZ ARG A 31 -8.655 -4.062 -9.413 1.00 0.00 C ATOM 446 NH1 ARG A 31 -8.887 -5.171 -8.765 1.00 0.00 N ATOM 447 NH2 ARG A 31 -9.636 -3.236 -9.654 1.00 0.00 N ATOM 0 H ARG A 31 -2.655 -5.417 -6.280 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.113 -4.041 -5.536 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.208 -4.045 -7.850 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.308 -5.794 -7.914 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.783 -5.696 -7.667 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.721 -3.954 -7.486 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.361 -4.178 -9.851 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.350 -5.620 -9.972 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.330 -3.010 -10.506 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.133 -5.842 -8.616 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.822 -5.367 -8.408 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.469 -2.391 -10.201 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.570 -3.435 -9.296 1.00 0.00 H new ATOM 461 N ARG A 32 -5.012 -7.330 -5.477 1.00 0.00 N ATOM 462 CA ARG A 32 -5.791 -8.513 -5.005 1.00 0.00 C ATOM 463 C ARG A 32 -5.762 -8.589 -3.476 1.00 0.00 C ATOM 464 O ARG A 32 -6.659 -9.126 -2.860 1.00 0.00 O ATOM 465 CB ARG A 32 -5.183 -9.794 -5.594 1.00 0.00 C ATOM 466 CG ARG A 32 -5.560 -9.928 -7.083 1.00 0.00 C ATOM 467 CD ARG A 32 -6.913 -10.638 -7.227 1.00 0.00 C ATOM 468 NE ARG A 32 -7.276 -10.720 -8.670 1.00 0.00 N ATOM 469 CZ ARG A 32 -8.224 -11.527 -9.062 1.00 0.00 C ATOM 470 NH1 ARG A 32 -8.860 -12.259 -8.189 1.00 0.00 N ATOM 471 NH2 ARG A 32 -8.536 -11.602 -10.326 1.00 0.00 N ATOM 0 H ARG A 32 -4.068 -7.534 -5.806 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.825 -8.412 -5.335 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.099 -9.773 -5.487 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.541 -10.662 -5.041 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.608 -8.941 -7.543 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.789 -10.489 -7.612 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.859 -11.638 -6.796 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.682 -10.095 -6.677 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.783 -10.144 -9.353 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.616 -12.201 -7.200 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.601 -12.890 -8.495 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.039 -11.030 -11.009 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.277 -12.233 -10.632 1.00 0.00 H new ATOM 485 N LEU A 33 -4.743 -8.060 -2.855 1.00 0.00 N ATOM 486 CA LEU A 33 -4.676 -8.112 -1.367 1.00 0.00 C ATOM 487 C LEU A 33 -5.820 -7.276 -0.787 1.00 0.00 C ATOM 488 O LEU A 33 -6.530 -7.705 0.100 1.00 0.00 O ATOM 489 CB LEU A 33 -3.324 -7.552 -0.897 1.00 0.00 C ATOM 490 CG LEU A 33 -2.224 -8.625 -1.038 1.00 0.00 C ATOM 491 CD1 LEU A 33 -0.861 -7.952 -1.234 1.00 0.00 C ATOM 492 CD2 LEU A 33 -2.173 -9.498 0.224 1.00 0.00 C ATOM 0 H LEU A 33 -3.957 -7.596 -3.311 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.771 -9.143 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.062 -6.673 -1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.397 -7.230 0.142 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.455 -9.248 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.089 -8.715 -1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.884 -7.340 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.639 -7.321 -0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.393 -10.252 0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.954 -8.873 1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.136 -9.990 0.366 1.00 0.00 H new ATOM 504 N ALA A 34 -6.005 -6.088 -1.291 1.00 0.00 N ATOM 505 CA ALA A 34 -7.104 -5.220 -0.782 1.00 0.00 C ATOM 506 C ALA A 34 -8.449 -5.786 -1.237 1.00 0.00 C ATOM 507 O ALA A 34 -9.266 -6.199 -0.438 1.00 0.00 O ATOM 508 CB ALA A 34 -6.940 -3.813 -1.353 1.00 0.00 C ATOM 0 H ALA A 34 -5.441 -5.679 -2.036 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.066 -5.186 0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.742 -3.174 -0.983 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.978 -3.404 -1.043 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.982 -3.855 -2.441 1.00 0.00 H new ATOM 514 N GLU A 35 -8.682 -5.801 -2.521 1.00 0.00 N ATOM 515 CA GLU A 35 -9.969 -6.330 -3.054 1.00 0.00 C ATOM 516 C GLU A 35 -10.325 -7.643 -2.349 1.00 0.00 C ATOM 517 O GLU A 35 -11.471 -8.048 -2.313 1.00 0.00 O ATOM 518 CB GLU A 35 -9.816 -6.580 -4.558 1.00 0.00 C ATOM 519 CG GLU A 35 -9.921 -5.255 -5.316 1.00 0.00 C ATOM 520 CD GLU A 35 -11.380 -4.797 -5.345 1.00 0.00 C ATOM 521 OE1 GLU A 35 -12.240 -5.637 -5.554 1.00 0.00 O ATOM 522 OE2 GLU A 35 -11.614 -3.615 -5.157 1.00 0.00 O ATOM 0 H GLU A 35 -8.029 -5.466 -3.230 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.765 -5.606 -2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.854 -7.051 -4.762 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.588 -7.269 -4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.301 -4.499 -4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.546 -5.375 -6.333 1.00 0.00 H new ATOM 529 N GLU A 36 -9.356 -8.312 -1.785 1.00 0.00 N ATOM 530 CA GLU A 36 -9.635 -9.588 -1.085 1.00 0.00 C ATOM 531 C GLU A 36 -10.078 -9.279 0.347 1.00 0.00 C ATOM 532 O GLU A 36 -11.191 -9.563 0.742 1.00 0.00 O ATOM 533 CB GLU A 36 -8.350 -10.423 -1.080 1.00 0.00 C ATOM 534 CG GLU A 36 -8.472 -11.588 -0.101 1.00 0.00 C ATOM 535 CD GLU A 36 -9.781 -12.342 -0.347 1.00 0.00 C ATOM 536 OE1 GLU A 36 -9.868 -13.027 -1.353 1.00 0.00 O ATOM 537 OE2 GLU A 36 -10.675 -12.221 0.475 1.00 0.00 O ATOM 0 H GLU A 36 -8.378 -8.023 -1.782 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.427 -10.144 -1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.152 -10.802 -2.083 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.503 -9.795 -0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.625 -12.264 -0.220 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.443 -11.218 0.924 1.00 0.00 H new ATOM 544 N ASN A 37 -9.205 -8.694 1.124 1.00 0.00 N ATOM 545 CA ASN A 37 -9.548 -8.350 2.538 1.00 0.00 C ATOM 546 C ASN A 37 -9.838 -6.853 2.631 1.00 0.00 C ATOM 547 O ASN A 37 -9.151 -6.121 3.311 1.00 0.00 O ATOM 548 CB ASN A 37 -8.360 -8.685 3.442 1.00 0.00 C ATOM 549 CG ASN A 37 -8.093 -10.191 3.408 1.00 0.00 C ATOM 550 OD1 ASN A 37 -9.015 -10.983 3.400 1.00 0.00 O ATOM 551 ND2 ASN A 37 -6.862 -10.623 3.389 1.00 0.00 N ATOM 0 H ASN A 37 -8.260 -8.437 0.838 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.423 -8.919 2.853 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.475 -8.142 3.111 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.567 -8.366 4.463 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.673 -11.625 3.367 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.088 -9.959 3.396 1.00 0.00 H new ATOM 558 N LYS A 38 -10.850 -6.391 1.948 1.00 0.00 N ATOM 559 CA LYS A 38 -11.186 -4.937 1.994 1.00 0.00 C ATOM 560 C LYS A 38 -11.168 -4.457 3.455 1.00 0.00 C ATOM 561 O LYS A 38 -11.114 -3.274 3.731 1.00 0.00 O ATOM 562 CB LYS A 38 -12.587 -4.728 1.367 1.00 0.00 C ATOM 563 CG LYS A 38 -12.573 -3.546 0.379 1.00 0.00 C ATOM 564 CD LYS A 38 -12.005 -4.003 -0.970 1.00 0.00 C ATOM 565 CE LYS A 38 -11.854 -2.795 -1.895 1.00 0.00 C ATOM 566 NZ LYS A 38 -13.196 -2.208 -2.165 1.00 0.00 N ATOM 0 H LYS A 38 -11.460 -6.958 1.359 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.454 -4.359 1.430 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.898 -5.636 0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.318 -4.542 2.153 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.583 -3.159 0.246 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.970 -2.732 0.781 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.039 -4.486 -0.825 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.666 -4.741 -1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.205 -2.050 -1.435 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.382 -3.096 -2.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.280 -1.985 -3.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.934 -2.891 -1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.313 -1.338 -1.608 1.00 0.00 H new ATOM 580 N ASN A 39 -11.212 -5.372 4.389 1.00 0.00 N ATOM 581 CA ASN A 39 -11.198 -4.992 5.832 1.00 0.00 C ATOM 582 C ASN A 39 -9.772 -5.118 6.370 1.00 0.00 C ATOM 583 O ASN A 39 -9.546 -5.163 7.563 1.00 0.00 O ATOM 584 CB ASN A 39 -12.119 -5.940 6.601 1.00 0.00 C ATOM 585 CG ASN A 39 -13.579 -5.565 6.335 1.00 0.00 C ATOM 586 OD1 ASN A 39 -14.281 -5.137 7.229 1.00 0.00 O ATOM 587 ND2 ASN A 39 -14.069 -5.710 5.134 1.00 0.00 N ATOM 0 H ASN A 39 -11.257 -6.375 4.211 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.542 -3.965 5.953 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.936 -6.970 6.294 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.907 -5.883 7.669 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -15.041 -5.464 4.947 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.480 -6.069 4.383 1.00 0.00 H new ATOM 594 N ALA A 40 -8.810 -5.178 5.492 1.00 0.00 N ATOM 595 CA ALA A 40 -7.392 -5.305 5.930 1.00 0.00 C ATOM 596 C ALA A 40 -7.053 -4.176 6.911 1.00 0.00 C ATOM 597 O ALA A 40 -7.644 -3.118 6.884 1.00 0.00 O ATOM 598 CB ALA A 40 -6.480 -5.214 4.703 1.00 0.00 C ATOM 0 H ALA A 40 -8.947 -5.144 4.482 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.244 -6.264 6.426 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.440 -5.306 5.015 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.723 -6.018 4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.627 -4.253 4.211 1.00 0.00 H new ATOM 604 N ASN A 41 -6.107 -4.398 7.778 1.00 0.00 N ATOM 605 CA ASN A 41 -5.718 -3.337 8.751 1.00 0.00 C ATOM 606 C ASN A 41 -4.755 -2.346 8.083 1.00 0.00 C ATOM 607 O ASN A 41 -4.578 -1.234 8.540 1.00 0.00 O ATOM 608 CB ASN A 41 -5.026 -3.981 9.954 1.00 0.00 C ATOM 609 CG ASN A 41 -4.017 -5.022 9.468 1.00 0.00 C ATOM 610 OD1 ASN A 41 -3.031 -4.684 8.845 1.00 0.00 O ATOM 611 ND2 ASN A 41 -4.224 -6.284 9.729 1.00 0.00 N ATOM 0 H ASN A 41 -5.584 -5.270 7.856 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.611 -2.806 9.080 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.520 -3.219 10.547 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.765 -4.451 10.603 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -3.557 -6.987 9.410 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.052 -6.567 10.252 1.00 0.00 H new ATOM 618 N TRP A 42 -4.097 -2.760 7.028 1.00 0.00 N ATOM 619 CA TRP A 42 -3.100 -1.867 6.350 1.00 0.00 C ATOM 620 C TRP A 42 -3.709 -1.120 5.151 1.00 0.00 C ATOM 621 O TRP A 42 -3.124 -0.177 4.658 1.00 0.00 O ATOM 622 CB TRP A 42 -1.930 -2.727 5.857 1.00 0.00 C ATOM 623 CG TRP A 42 -2.468 -3.938 5.166 1.00 0.00 C ATOM 624 CD1 TRP A 42 -2.584 -5.163 5.727 1.00 0.00 C ATOM 625 CD2 TRP A 42 -2.970 -4.062 3.803 1.00 0.00 C ATOM 626 NE1 TRP A 42 -3.132 -6.029 4.800 1.00 0.00 N ATOM 627 CE2 TRP A 42 -3.387 -5.399 3.598 1.00 0.00 C ATOM 628 CE3 TRP A 42 -3.105 -3.155 2.736 1.00 0.00 C ATOM 629 CZ2 TRP A 42 -3.921 -5.821 2.381 1.00 0.00 C ATOM 630 CZ3 TRP A 42 -3.640 -3.576 1.507 1.00 0.00 C ATOM 631 CH2 TRP A 42 -4.049 -4.905 1.331 1.00 0.00 C ATOM 0 H TRP A 42 -4.206 -3.681 6.604 1.00 0.00 H new ATOM 0 HA TRP A 42 -2.769 -1.121 7.072 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.303 -2.153 5.175 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.301 -3.022 6.697 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.295 -5.422 6.735 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.325 -7.014 4.982 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.795 -2.128 2.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.233 -6.847 2.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.737 -2.872 0.694 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.463 -5.222 0.385 1.00 0.00 H new ATOM 642 N LEU A 43 -4.854 -1.524 4.654 1.00 0.00 N ATOM 643 CA LEU A 43 -5.441 -0.819 3.472 1.00 0.00 C ATOM 644 C LEU A 43 -6.377 0.304 3.937 1.00 0.00 C ATOM 645 O LEU A 43 -6.914 0.275 5.026 1.00 0.00 O ATOM 646 CB LEU A 43 -6.180 -1.865 2.600 1.00 0.00 C ATOM 647 CG LEU A 43 -7.710 -1.929 2.871 1.00 0.00 C ATOM 648 CD1 LEU A 43 -8.028 -2.040 4.384 1.00 0.00 C ATOM 649 CD2 LEU A 43 -8.438 -0.708 2.238 1.00 0.00 C ATOM 0 H LEU A 43 -5.403 -2.305 5.013 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.658 -0.352 2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.015 -1.631 1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.746 -2.848 2.780 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.084 -2.836 2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.108 -2.082 4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.573 -2.946 4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.627 -1.171 4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.507 -0.776 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.045 0.213 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.273 -0.705 1.161 1.00 0.00 H new ATOM 661 N ILE A 44 -6.554 1.308 3.117 1.00 0.00 N ATOM 662 CA ILE A 44 -7.430 2.454 3.482 1.00 0.00 C ATOM 663 C ILE A 44 -8.179 2.904 2.220 1.00 0.00 C ATOM 664 O ILE A 44 -7.581 3.339 1.257 1.00 0.00 O ATOM 665 CB ILE A 44 -6.535 3.591 4.021 1.00 0.00 C ATOM 666 CG1 ILE A 44 -6.308 3.405 5.532 1.00 0.00 C ATOM 667 CG2 ILE A 44 -7.178 4.960 3.768 1.00 0.00 C ATOM 668 CD1 ILE A 44 -5.051 4.163 5.957 1.00 0.00 C ATOM 0 H ILE A 44 -6.120 1.380 2.197 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.155 2.178 4.248 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.580 3.551 3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.171 3.771 6.088 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.203 2.346 5.767 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.529 5.744 4.157 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.319 5.103 2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.144 5.007 4.271 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.891 4.031 7.027 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.191 3.776 5.411 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.174 5.223 5.737 1.00 0.00 H new ATOM 680 N MET A 45 -9.481 2.803 2.219 1.00 0.00 N ATOM 681 CA MET A 45 -10.262 3.228 1.020 1.00 0.00 C ATOM 682 C MET A 45 -10.627 4.707 1.146 1.00 0.00 C ATOM 683 O MET A 45 -11.456 5.086 1.950 1.00 0.00 O ATOM 684 CB MET A 45 -11.541 2.392 0.919 1.00 0.00 C ATOM 685 CG MET A 45 -11.192 0.901 0.714 1.00 0.00 C ATOM 686 SD MET A 45 -12.408 0.137 -0.391 1.00 0.00 S ATOM 687 CE MET A 45 -11.759 0.797 -1.951 1.00 0.00 C ATOM 0 H MET A 45 -10.038 2.445 2.995 1.00 0.00 H new ATOM 0 HA MET A 45 -9.660 3.078 0.124 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.135 2.512 1.825 1.00 0.00 H new ATOM 0 HB3 MET A 45 -12.151 2.747 0.089 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.192 0.806 0.291 1.00 0.00 H new ATOM 0 HG3 MET A 45 -11.183 0.384 1.674 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.556 1.310 -2.489 1.00 0.00 H new ATOM 0 HE2 MET A 45 -10.952 1.499 -1.741 1.00 0.00 H new ATOM 0 HE3 MET A 45 -11.378 -0.021 -2.562 1.00 0.00 H new ATOM 697 N ASN A 46 -10.013 5.544 0.348 1.00 0.00 N ATOM 698 CA ASN A 46 -10.310 7.011 0.393 1.00 0.00 C ATOM 699 C ASN A 46 -11.094 7.394 -0.861 1.00 0.00 C ATOM 700 O ASN A 46 -10.542 7.893 -1.822 1.00 0.00 O ATOM 701 CB ASN A 46 -8.993 7.795 0.430 1.00 0.00 C ATOM 702 CG ASN A 46 -8.390 7.720 1.835 1.00 0.00 C ATOM 703 OD1 ASN A 46 -8.991 7.014 2.753 1.00 0.00 O flip ATOM 704 ND2 ASN A 46 -7.361 8.310 2.099 1.00 0.00 N flip ATOM 0 H ASN A 46 -9.311 5.272 -0.340 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.895 7.245 1.282 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.294 7.386 -0.299 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.169 8.835 0.154 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.891 8.862 1.381 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.967 8.253 3.038 1.00 0.00 H new ATOM 711 N GLY A 47 -12.375 7.150 -0.866 1.00 0.00 N ATOM 712 CA GLY A 47 -13.192 7.485 -2.066 1.00 0.00 C ATOM 713 C GLY A 47 -13.064 6.357 -3.077 1.00 0.00 C ATOM 714 O GLY A 47 -13.953 5.543 -3.235 1.00 0.00 O ATOM 0 H GLY A 47 -12.891 6.733 -0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.236 7.623 -1.785 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.853 8.424 -2.503 1.00 0.00 H new ATOM 718 N ASN A 48 -11.963 6.307 -3.772 1.00 0.00 N ATOM 719 CA ASN A 48 -11.769 5.237 -4.786 1.00 0.00 C ATOM 720 C ASN A 48 -10.279 4.900 -4.909 1.00 0.00 C ATOM 721 O ASN A 48 -9.876 4.159 -5.783 1.00 0.00 O ATOM 722 CB ASN A 48 -12.300 5.744 -6.124 1.00 0.00 C ATOM 723 CG ASN A 48 -12.305 4.604 -7.146 1.00 0.00 C ATOM 724 OD1 ASN A 48 -12.580 3.390 -6.753 1.00 0.00 O flip ATOM 725 ND2 ASN A 48 -12.056 4.822 -8.315 1.00 0.00 N flip ATOM 0 H ASN A 48 -11.188 6.963 -3.681 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.304 4.335 -4.488 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.309 6.137 -6.000 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.680 6.565 -6.484 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.841 5.771 -8.622 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.062 4.056 -8.989 1.00 0.00 H new ATOM 732 N ARG A 49 -9.457 5.444 -4.042 1.00 0.00 N ATOM 733 CA ARG A 49 -7.985 5.167 -4.102 1.00 0.00 C ATOM 734 C ARG A 49 -7.581 4.273 -2.927 1.00 0.00 C ATOM 735 O ARG A 49 -7.824 4.590 -1.780 1.00 0.00 O ATOM 736 CB ARG A 49 -7.208 6.488 -4.006 1.00 0.00 C ATOM 737 CG ARG A 49 -7.372 7.315 -5.301 1.00 0.00 C ATOM 738 CD ARG A 49 -8.663 8.167 -5.252 1.00 0.00 C ATOM 739 NE ARG A 49 -9.362 8.110 -6.576 1.00 0.00 N ATOM 740 CZ ARG A 49 -8.711 8.280 -7.699 1.00 0.00 C ATOM 741 NH1 ARG A 49 -7.453 8.628 -7.693 1.00 0.00 N ATOM 742 NH2 ARG A 49 -9.335 8.138 -8.836 1.00 0.00 N ATOM 0 H ARG A 49 -9.744 6.072 -3.291 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.756 4.668 -5.044 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.566 7.065 -3.153 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.152 6.282 -3.831 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.507 7.965 -5.434 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.404 6.647 -6.162 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.323 7.798 -4.466 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.418 9.200 -5.004 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.367 7.935 -6.603 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.967 8.770 -6.807 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.956 8.758 -8.574 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.326 7.896 -8.847 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.832 8.269 -9.714 1.00 0.00 H new ATOM 756 N ILE A 50 -6.953 3.163 -3.206 1.00 0.00 N ATOM 757 CA ILE A 50 -6.517 2.251 -2.110 1.00 0.00 C ATOM 758 C ILE A 50 -5.178 2.747 -1.559 1.00 0.00 C ATOM 759 O ILE A 50 -4.238 2.957 -2.301 1.00 0.00 O ATOM 760 CB ILE A 50 -6.357 0.833 -2.668 1.00 0.00 C ATOM 761 CG1 ILE A 50 -7.643 0.436 -3.400 1.00 0.00 C ATOM 762 CG2 ILE A 50 -6.094 -0.148 -1.521 1.00 0.00 C ATOM 763 CD1 ILE A 50 -7.578 -1.040 -3.804 1.00 0.00 C ATOM 0 H ILE A 50 -6.723 2.848 -4.148 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.259 2.240 -1.312 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.515 0.805 -3.360 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.506 0.608 -2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.775 1.059 -4.285 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.981 -1.155 -1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.181 0.139 -0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.932 -0.127 -0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.495 -1.316 -4.324 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.725 -1.199 -4.464 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.467 -1.657 -2.912 1.00 0.00 H new ATOM 775 N GLN A 51 -5.084 2.945 -0.263 1.00 0.00 N ATOM 776 CA GLN A 51 -3.803 3.442 0.344 1.00 0.00 C ATOM 777 C GLN A 51 -3.111 2.287 1.094 1.00 0.00 C ATOM 778 O GLN A 51 -3.724 1.567 1.857 1.00 0.00 O ATOM 779 CB GLN A 51 -4.126 4.601 1.326 1.00 0.00 C ATOM 780 CG GLN A 51 -3.651 5.960 0.774 1.00 0.00 C ATOM 781 CD GLN A 51 -2.125 5.972 0.585 1.00 0.00 C ATOM 782 OE1 GLN A 51 -1.490 4.942 0.595 1.00 0.00 O ATOM 783 NE2 GLN A 51 -1.506 7.112 0.411 1.00 0.00 N ATOM 0 H GLN A 51 -5.840 2.784 0.402 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.135 3.807 -0.436 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -5.200 4.636 1.507 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.647 4.410 2.286 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.141 6.162 -0.179 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.943 6.757 1.458 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.036 7.984 0.402 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.494 7.129 0.285 1.00 0.00 H new ATOM 792 N ILE A 52 -1.832 2.122 0.873 1.00 0.00 N ATOM 793 CA ILE A 52 -1.057 1.035 1.551 1.00 0.00 C ATOM 794 C ILE A 52 -0.290 1.626 2.738 1.00 0.00 C ATOM 795 O ILE A 52 0.260 2.702 2.653 1.00 0.00 O ATOM 796 CB ILE A 52 -0.027 0.448 0.571 1.00 0.00 C ATOM 797 CG1 ILE A 52 -0.698 0.055 -0.765 1.00 0.00 C ATOM 798 CG2 ILE A 52 0.666 -0.762 1.209 1.00 0.00 C ATOM 799 CD1 ILE A 52 -1.515 -1.237 -0.636 1.00 0.00 C ATOM 0 H ILE A 52 -1.282 2.704 0.241 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.749 0.261 1.885 1.00 0.00 H new ATOM 0 HB ILE A 52 0.723 1.209 0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.348 0.864 -1.097 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.066 -0.074 -1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.395 -1.174 0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.174 -0.451 2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.077 -1.522 1.449 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.970 -1.477 -1.597 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.860 -2.053 -0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.297 -1.100 0.111 1.00 0.00 H new ATOM 811 N LYS A 53 -0.217 0.928 3.837 1.00 0.00 N ATOM 812 CA LYS A 53 0.546 1.471 4.999 1.00 0.00 C ATOM 813 C LYS A 53 2.043 1.256 4.732 1.00 0.00 C ATOM 814 O LYS A 53 2.428 0.332 4.048 1.00 0.00 O ATOM 815 CB LYS A 53 0.105 0.735 6.293 1.00 0.00 C ATOM 816 CG LYS A 53 -0.535 1.722 7.283 1.00 0.00 C ATOM 817 CD LYS A 53 -0.759 1.031 8.630 1.00 0.00 C ATOM 818 CE LYS A 53 -1.689 1.888 9.492 1.00 0.00 C ATOM 819 NZ LYS A 53 -1.241 3.309 9.446 1.00 0.00 N ATOM 0 H LYS A 53 -0.647 0.015 3.982 1.00 0.00 H new ATOM 0 HA LYS A 53 0.351 2.535 5.129 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.606 -0.053 6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.966 0.254 6.756 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.110 2.591 7.412 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.484 2.085 6.887 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.194 0.044 8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.194 0.884 9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.714 1.807 9.131 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.684 1.527 10.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.516 3.788 10.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.207 3.344 9.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.687 3.788 8.638 1.00 0.00 H new ATOM 833 N ARG A 54 2.887 2.111 5.256 1.00 0.00 N ATOM 834 CA ARG A 54 4.361 1.960 5.031 1.00 0.00 C ATOM 835 C ARG A 54 5.017 1.402 6.298 1.00 0.00 C ATOM 836 O ARG A 54 6.020 0.728 6.240 1.00 0.00 O ATOM 837 CB ARG A 54 4.974 3.327 4.713 1.00 0.00 C ATOM 838 CG ARG A 54 4.751 4.281 5.887 1.00 0.00 C ATOM 839 CD ARG A 54 5.192 5.692 5.491 1.00 0.00 C ATOM 840 NE ARG A 54 6.625 5.671 5.084 1.00 0.00 N ATOM 841 CZ ARG A 54 7.129 6.676 4.420 1.00 0.00 C ATOM 842 NH1 ARG A 54 6.380 7.703 4.125 1.00 0.00 N ATOM 843 NH2 ARG A 54 8.382 6.656 4.054 1.00 0.00 N ATOM 0 H ARG A 54 2.619 2.909 5.831 1.00 0.00 H new ATOM 0 HA ARG A 54 4.529 1.278 4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.041 3.220 4.517 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.523 3.737 3.809 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.699 4.284 6.172 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.315 3.943 6.756 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.576 6.060 4.671 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.051 6.376 6.328 1.00 0.00 H new ATOM 0 HE ARG A 54 7.212 4.872 5.324 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.402 7.720 4.413 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.773 8.489 3.606 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.969 5.855 4.287 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.774 7.442 3.535 1.00 0.00 H new ATOM 857 N LYS A 55 4.470 1.693 7.448 1.00 0.00 N ATOM 858 CA LYS A 55 5.084 1.189 8.714 1.00 0.00 C ATOM 859 C LYS A 55 4.869 -0.328 8.843 1.00 0.00 C ATOM 860 O LYS A 55 5.808 -1.098 8.827 1.00 0.00 O ATOM 861 CB LYS A 55 4.454 1.919 9.923 1.00 0.00 C ATOM 862 CG LYS A 55 2.976 2.284 9.631 1.00 0.00 C ATOM 863 CD LYS A 55 2.873 3.718 9.078 1.00 0.00 C ATOM 864 CE LYS A 55 2.841 4.728 10.234 1.00 0.00 C ATOM 865 NZ LYS A 55 1.474 4.764 10.828 1.00 0.00 N ATOM 0 H LYS A 55 3.628 2.256 7.567 1.00 0.00 H new ATOM 0 HA LYS A 55 6.156 1.387 8.693 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.509 1.284 10.807 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.021 2.823 10.144 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.557 1.580 8.912 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.387 2.197 10.544 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.721 3.926 8.426 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.973 3.819 8.472 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.572 4.450 10.994 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.118 5.718 9.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.410 5.551 11.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.771 4.898 10.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.286 3.868 11.321 1.00 0.00 H new ATOM 879 N GLN A 56 3.645 -0.760 8.986 1.00 0.00 N ATOM 880 CA GLN A 56 3.377 -2.221 9.134 1.00 0.00 C ATOM 881 C GLN A 56 3.824 -2.969 7.874 1.00 0.00 C ATOM 882 O GLN A 56 4.022 -4.168 7.891 1.00 0.00 O ATOM 883 CB GLN A 56 1.873 -2.433 9.354 1.00 0.00 C ATOM 884 CG GLN A 56 1.564 -3.931 9.505 1.00 0.00 C ATOM 885 CD GLN A 56 1.448 -4.588 8.125 1.00 0.00 C ATOM 886 OE1 GLN A 56 1.504 -3.918 7.113 1.00 0.00 O ATOM 887 NE2 GLN A 56 1.287 -5.881 8.043 1.00 0.00 N ATOM 0 H GLN A 56 2.818 -0.164 9.007 1.00 0.00 H new ATOM 0 HA GLN A 56 3.935 -2.607 9.987 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.549 -1.896 10.246 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.314 -2.022 8.514 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.351 -4.416 10.082 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.635 -4.064 10.059 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.240 -6.444 8.892 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.208 -6.328 7.130 1.00 0.00 H new ATOM 896 N PHE A 57 3.976 -2.274 6.779 1.00 0.00 N ATOM 897 CA PHE A 57 4.400 -2.944 5.511 1.00 0.00 C ATOM 898 C PHE A 57 5.932 -2.873 5.370 1.00 0.00 C ATOM 899 O PHE A 57 6.583 -3.868 5.144 1.00 0.00 O ATOM 900 CB PHE A 57 3.711 -2.230 4.331 1.00 0.00 C ATOM 901 CG PHE A 57 3.492 -3.181 3.159 1.00 0.00 C ATOM 902 CD1 PHE A 57 4.557 -3.932 2.640 1.00 0.00 C ATOM 903 CD2 PHE A 57 2.218 -3.297 2.580 1.00 0.00 C ATOM 904 CE1 PHE A 57 4.354 -4.788 1.557 1.00 0.00 C ATOM 905 CE2 PHE A 57 2.017 -4.156 1.492 1.00 0.00 C ATOM 906 CZ PHE A 57 3.085 -4.901 0.980 1.00 0.00 C ATOM 0 H PHE A 57 3.825 -1.268 6.706 1.00 0.00 H new ATOM 0 HA PHE A 57 4.110 -3.995 5.521 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.753 -1.825 4.657 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.320 -1.386 4.008 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.539 -3.847 3.081 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.392 -2.723 2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.178 -5.364 1.164 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.036 -4.243 1.048 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.930 -5.562 0.140 1.00 0.00 H new ATOM 916 N GLU A 58 6.516 -1.713 5.483 1.00 0.00 N ATOM 917 CA GLU A 58 8.002 -1.615 5.332 1.00 0.00 C ATOM 918 C GLU A 58 8.699 -2.638 6.238 1.00 0.00 C ATOM 919 O GLU A 58 9.794 -3.085 5.950 1.00 0.00 O ATOM 920 CB GLU A 58 8.469 -0.198 5.692 1.00 0.00 C ATOM 921 CG GLU A 58 9.990 -0.083 5.517 1.00 0.00 C ATOM 922 CD GLU A 58 10.704 -0.665 6.741 1.00 0.00 C ATOM 923 OE1 GLU A 58 10.328 -0.309 7.845 1.00 0.00 O ATOM 924 OE2 GLU A 58 11.613 -1.457 6.551 1.00 0.00 O ATOM 0 H GLU A 58 6.037 -0.833 5.672 1.00 0.00 H new ATOM 0 HA GLU A 58 8.264 -1.829 4.296 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.966 0.531 5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.195 0.033 6.721 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.302 -0.614 4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.271 0.962 5.384 1.00 0.00 H new ATOM 931 N LYS A 59 8.086 -3.017 7.327 1.00 0.00 N ATOM 932 CA LYS A 59 8.739 -4.004 8.238 1.00 0.00 C ATOM 933 C LYS A 59 8.743 -5.383 7.580 1.00 0.00 C ATOM 934 O LYS A 59 9.291 -6.322 8.125 1.00 0.00 O ATOM 935 CB LYS A 59 7.947 -4.092 9.569 1.00 0.00 C ATOM 936 CG LYS A 59 8.668 -3.331 10.700 1.00 0.00 C ATOM 937 CD LYS A 59 8.530 -1.810 10.491 1.00 0.00 C ATOM 938 CE LYS A 59 7.248 -1.303 11.162 1.00 0.00 C ATOM 939 NZ LYS A 59 6.921 0.056 10.648 1.00 0.00 N ATOM 0 H LYS A 59 7.167 -2.689 7.625 1.00 0.00 H new ATOM 0 HA LYS A 59 9.761 -3.681 8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.948 -3.679 9.429 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.823 -5.137 9.852 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.245 -3.613 11.664 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.722 -3.608 10.720 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.396 -1.297 10.909 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.507 -1.582 9.425 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.424 -1.988 10.960 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.379 -1.272 12.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.061 0.406 11.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.711 0.702 10.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.762 0.010 9.621 1.00 0.00 H new ATOM 953 N ILE A 60 8.121 -5.528 6.436 1.00 0.00 N ATOM 954 CA ILE A 60 8.077 -6.869 5.778 1.00 0.00 C ATOM 955 C ILE A 60 8.421 -6.779 4.286 1.00 0.00 C ATOM 956 O ILE A 60 7.911 -7.540 3.493 1.00 0.00 O ATOM 957 CB ILE A 60 6.674 -7.470 5.933 1.00 0.00 C ATOM 958 CG1 ILE A 60 5.613 -6.437 5.540 1.00 0.00 C ATOM 959 CG2 ILE A 60 6.457 -7.889 7.388 1.00 0.00 C ATOM 960 CD1 ILE A 60 4.242 -7.116 5.464 1.00 0.00 C ATOM 0 H ILE A 60 7.645 -4.780 5.932 1.00 0.00 H new ATOM 0 HA ILE A 60 8.819 -7.503 6.263 1.00 0.00 H new ATOM 0 HB ILE A 60 6.586 -8.339 5.281 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.590 -5.628 6.270 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.864 -5.991 4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.460 -8.316 7.499 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.204 -8.632 7.668 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.552 -7.018 8.036 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.487 -6.381 5.184 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.270 -7.910 4.717 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.992 -7.541 6.436 1.00 0.00 H new ATOM 972 N ILE A 61 9.286 -5.885 3.879 1.00 0.00 N ATOM 973 CA ILE A 61 9.627 -5.825 2.417 1.00 0.00 C ATOM 974 C ILE A 61 10.651 -6.924 2.085 1.00 0.00 C ATOM 975 O ILE A 61 10.401 -7.787 1.267 1.00 0.00 O ATOM 976 CB ILE A 61 10.181 -4.437 2.035 1.00 0.00 C ATOM 977 CG1 ILE A 61 10.732 -4.463 0.597 1.00 0.00 C ATOM 978 CG2 ILE A 61 11.305 -4.020 2.988 1.00 0.00 C ATOM 979 CD1 ILE A 61 9.707 -5.084 -0.357 1.00 0.00 C ATOM 0 H ILE A 61 9.763 -5.208 4.475 1.00 0.00 H new ATOM 0 HA ILE A 61 8.719 -5.991 1.837 1.00 0.00 H new ATOM 0 HB ILE A 61 9.364 -3.719 2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.971 -3.450 0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.660 -5.035 0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.681 -3.038 2.700 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.921 -3.977 4.007 1.00 0.00 H new ATOM 0 HG23 ILE A 61 12.115 -4.748 2.936 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.112 -5.095 -1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.489 -6.105 -0.042 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.790 -4.495 -0.339 1.00 0.00 H new ATOM 991 N ASP A 62 11.793 -6.913 2.717 1.00 0.00 N ATOM 992 CA ASP A 62 12.815 -7.969 2.436 1.00 0.00 C ATOM 993 C ASP A 62 12.301 -9.316 2.951 1.00 0.00 C ATOM 994 O ASP A 62 12.949 -10.336 2.829 1.00 0.00 O ATOM 995 CB ASP A 62 14.123 -7.615 3.148 1.00 0.00 C ATOM 996 CG ASP A 62 13.873 -7.507 4.653 1.00 0.00 C ATOM 997 OD1 ASP A 62 13.153 -6.606 5.051 1.00 0.00 O ATOM 998 OD2 ASP A 62 14.405 -8.328 5.383 1.00 0.00 O ATOM 0 H ASP A 62 12.065 -6.221 3.415 1.00 0.00 H new ATOM 0 HA ASP A 62 12.993 -8.031 1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.876 -8.377 2.948 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.514 -6.672 2.765 1.00 0.00 H new ATOM 1003 N THR A 63 11.143 -9.309 3.542 1.00 0.00 N ATOM 1004 CA THR A 63 10.550 -10.559 4.100 1.00 0.00 C ATOM 1005 C THR A 63 9.838 -11.337 2.991 1.00 0.00 C ATOM 1006 O THR A 63 9.703 -12.543 3.051 1.00 0.00 O ATOM 1007 CB THR A 63 9.541 -10.129 5.173 1.00 0.00 C ATOM 1008 OG1 THR A 63 10.206 -9.990 6.419 1.00 0.00 O ATOM 1009 CG2 THR A 63 8.385 -11.124 5.322 1.00 0.00 C ATOM 0 H THR A 63 10.569 -8.475 3.666 1.00 0.00 H new ATOM 0 HA THR A 63 11.319 -11.205 4.523 1.00 0.00 H new ATOM 0 HB THR A 63 9.115 -9.177 4.857 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.562 -9.714 7.104 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.700 -10.773 6.094 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.853 -11.208 4.375 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.779 -12.100 5.604 1.00 0.00 H new ATOM 1017 N LEU A 64 9.357 -10.652 2.000 1.00 0.00 N ATOM 1018 CA LEU A 64 8.624 -11.346 0.910 1.00 0.00 C ATOM 1019 C LEU A 64 9.631 -12.044 -0.011 1.00 0.00 C ATOM 1020 O LEU A 64 9.813 -13.244 0.048 1.00 0.00 O ATOM 1021 CB LEU A 64 7.782 -10.333 0.101 1.00 0.00 C ATOM 1022 CG LEU A 64 7.332 -9.147 0.971 1.00 0.00 C ATOM 1023 CD1 LEU A 64 6.696 -8.086 0.082 1.00 0.00 C ATOM 1024 CD2 LEU A 64 6.298 -9.609 1.996 1.00 0.00 C ATOM 0 H LEU A 64 9.439 -9.641 1.895 1.00 0.00 H new ATOM 0 HA LEU A 64 7.952 -12.086 1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.366 -9.965 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.907 -10.834 -0.312 1.00 0.00 H new ATOM 0 HG LEU A 64 8.200 -8.739 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.375 -7.243 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.424 -7.744 -0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.833 -8.511 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.987 -8.761 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.432 -10.021 1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.737 -10.375 2.636 1.00 0.00 H new TER 1036 LEU A 64