USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 677 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 71 LYS NZ :NH3+ -125:sc= 0.101 (180deg=0) USER MOD Set 1.2: A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= -0.759 (180deg=-0.762) USER MOD Single : A 5 MET CE :methyl -112:sc= -3.46 (180deg=-13.2!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= -0.416 (180deg=-0.416) USER MOD Single : A 12 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.5) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.469 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 18 THR OG1 : rot -25:sc= -1.08 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -150:sc= -0.671 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0156 K(o=-0.016,f=-1.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -67:sc= 0.0354 USER MOD Single : A 43 GLN : amide:sc= -1.58 K(o=-1.6,f=-7.7!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.848) USER MOD Single : A 51 LYS NZ :NH3+ -136:sc= 0.199 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.157 K(o=-0.16,f=-3!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.103 K(o=-0.1,f=-2.1!) USER MOD Single : A 70 THR OG1 : rot -72:sc= -0.331 USER MOD Single : A 74 MET CE :methyl 163:sc= -4.29! (180deg=-4.85!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -140:sc= -0.635 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.890 -0.318 -0.682 1.00 0.00 N ATOM 2 CA MET A 1 1.790 -0.231 -1.827 1.00 0.00 C ATOM 3 C MET A 1 3.241 -0.413 -1.393 1.00 0.00 C ATOM 4 O MET A 1 3.686 0.188 -0.415 1.00 0.00 O ATOM 5 CB MET A 1 1.621 1.115 -2.534 1.00 0.00 C ATOM 6 CG MET A 1 1.914 2.311 -1.643 1.00 0.00 C ATOM 7 SD MET A 1 1.426 3.874 -2.396 1.00 0.00 S ATOM 8 CE MET A 1 2.972 4.777 -2.335 1.00 0.00 C ATOM 0 H1 MET A 1 -0.086 -0.141 -0.994 1.00 0.00 H new ATOM 0 H2 MET A 1 0.953 -1.268 -0.263 1.00 0.00 H new ATOM 0 H3 MET A 1 1.161 0.392 0.028 1.00 0.00 H new ATOM 0 HA MET A 1 1.534 -1.032 -2.521 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.282 1.147 -3.400 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.601 1.193 -2.909 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.390 2.190 -0.695 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.980 2.338 -1.417 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.832 5.768 -2.767 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.296 4.875 -1.299 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.731 4.238 -2.903 1.00 0.00 H new ATOM 18 N ALA A 2 3.974 -1.245 -2.126 1.00 0.00 N ATOM 19 CA ALA A 2 5.374 -1.503 -1.817 1.00 0.00 C ATOM 20 C ALA A 2 6.295 -0.667 -2.700 1.00 0.00 C ATOM 21 O ALA A 2 6.170 -0.673 -3.926 1.00 0.00 O ATOM 22 CB ALA A 2 5.686 -2.984 -1.979 1.00 0.00 C ATOM 0 H ALA A 2 3.621 -1.752 -2.938 1.00 0.00 H new ATOM 0 HA ALA A 2 5.550 -1.217 -0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.736 -3.162 -1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.059 -3.564 -1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.487 -3.287 -3.007 1.00 0.00 H new ATOM 28 N LEU A 3 7.217 0.052 -2.071 1.00 0.00 N ATOM 29 CA LEU A 3 8.159 0.895 -2.800 1.00 0.00 C ATOM 30 C LEU A 3 9.535 0.241 -2.870 1.00 0.00 C ATOM 31 O LEU A 3 9.972 -0.443 -1.944 1.00 0.00 O ATOM 32 CB LEU A 3 8.267 2.268 -2.133 1.00 0.00 C ATOM 33 CG LEU A 3 6.965 2.853 -1.586 1.00 0.00 C ATOM 34 CD1 LEU A 3 6.705 2.351 -0.174 1.00 0.00 C ATOM 35 CD2 LEU A 3 7.011 4.374 -1.614 1.00 0.00 C ATOM 0 H LEU A 3 7.333 0.069 -1.058 1.00 0.00 H new ATOM 0 HA LEU A 3 7.785 1.020 -3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.982 2.196 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.681 2.970 -2.857 1.00 0.00 H new ATOM 0 HG LEU A 3 6.145 2.522 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.774 2.778 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.627 1.264 -0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.527 2.651 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.076 4.774 -1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.841 4.724 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.149 4.715 -2.640 1.00 0.00 H new ATOM 47 N PRO A 4 10.236 0.455 -3.993 1.00 0.00 N ATOM 48 CA PRO A 4 11.574 -0.103 -4.209 1.00 0.00 C ATOM 49 C PRO A 4 12.624 0.544 -3.313 1.00 0.00 C ATOM 50 O PRO A 4 13.105 1.641 -3.597 1.00 0.00 O ATOM 51 CB PRO A 4 11.857 0.214 -5.679 1.00 0.00 C ATOM 52 CG PRO A 4 11.015 1.405 -5.979 1.00 0.00 C ATOM 53 CD PRO A 4 9.777 1.260 -5.137 1.00 0.00 C ATOM 0 HA PRO A 4 11.615 -1.166 -3.972 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.914 0.425 -5.842 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.597 -0.627 -6.322 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.544 2.327 -5.739 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.763 1.448 -7.039 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.392 2.229 -4.818 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.976 0.762 -5.683 1.00 0.00 H new ATOM 61 N MET A 5 12.976 -0.141 -2.230 1.00 0.00 N ATOM 62 CA MET A 5 13.971 0.367 -1.293 1.00 0.00 C ATOM 63 C MET A 5 14.788 -0.773 -0.696 1.00 0.00 C ATOM 64 O MET A 5 14.451 -1.945 -0.864 1.00 0.00 O ATOM 65 CB MET A 5 13.291 1.163 -0.177 1.00 0.00 C ATOM 66 CG MET A 5 12.064 1.932 -0.638 1.00 0.00 C ATOM 67 SD MET A 5 11.225 2.779 0.715 1.00 0.00 S ATOM 68 CE MET A 5 10.326 4.042 -0.182 1.00 0.00 C ATOM 0 H MET A 5 12.587 -1.050 -1.980 1.00 0.00 H new ATOM 0 HA MET A 5 14.646 1.025 -1.840 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.002 0.479 0.621 1.00 0.00 H new ATOM 0 HB3 MET A 5 14.010 1.864 0.248 1.00 0.00 H new ATOM 0 HG2 MET A 5 12.360 2.663 -1.391 1.00 0.00 H new ATOM 0 HG3 MET A 5 11.368 1.244 -1.118 1.00 0.00 H new ATOM 0 HE1 MET A 5 10.740 5.022 0.056 1.00 0.00 H new ATOM 0 HE2 MET A 5 10.416 3.861 -1.253 1.00 0.00 H new ATOM 0 HE3 MET A 5 9.275 4.013 0.104 1.00 0.00 H new ATOM 78 N ILE A 6 15.864 -0.423 0.002 1.00 0.00 N ATOM 79 CA ILE A 6 16.728 -1.418 0.624 1.00 0.00 C ATOM 80 C ILE A 6 16.608 -1.377 2.144 1.00 0.00 C ATOM 81 O ILE A 6 16.636 -0.307 2.751 1.00 0.00 O ATOM 82 CB ILE A 6 18.202 -1.208 0.231 1.00 0.00 C ATOM 83 CG1 ILE A 6 18.368 -1.309 -1.287 1.00 0.00 C ATOM 84 CG2 ILE A 6 19.088 -2.224 0.935 1.00 0.00 C ATOM 85 CD1 ILE A 6 19.766 -0.987 -1.765 1.00 0.00 C ATOM 0 H ILE A 6 16.158 0.542 0.151 1.00 0.00 H new ATOM 0 HA ILE A 6 16.399 -2.392 0.262 1.00 0.00 H new ATOM 0 HB ILE A 6 18.507 -0.210 0.545 1.00 0.00 H new ATOM 0 HG12 ILE A 6 18.107 -2.318 -1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 6 17.663 -0.630 -1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 6 20.127 -2.062 0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.988 -2.108 2.014 1.00 0.00 H new ATOM 0 HG23 ILE A 6 18.785 -3.231 0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 6 19.810 -1.079 -2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 6 20.023 0.032 -1.477 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.474 -1.682 -1.313 1.00 0.00 H new ATOM 97 N VAL A 7 16.475 -2.551 2.753 1.00 0.00 N ATOM 98 CA VAL A 7 16.354 -2.651 4.202 1.00 0.00 C ATOM 99 C VAL A 7 17.649 -3.153 4.829 1.00 0.00 C ATOM 100 O VAL A 7 18.249 -4.117 4.354 1.00 0.00 O ATOM 101 CB VAL A 7 15.203 -3.591 4.606 1.00 0.00 C ATOM 102 CG1 VAL A 7 15.526 -5.027 4.222 1.00 0.00 C ATOM 103 CG2 VAL A 7 14.922 -3.480 6.097 1.00 0.00 C ATOM 0 H VAL A 7 16.448 -3.446 2.265 1.00 0.00 H new ATOM 0 HA VAL A 7 16.140 -1.648 4.571 1.00 0.00 H new ATOM 0 HB VAL A 7 14.305 -3.289 4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.701 -5.676 4.515 1.00 0.00 H new ATOM 0 HG12 VAL A 7 15.673 -5.091 3.144 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.436 -5.344 4.731 1.00 0.00 H new ATOM 0 HG21 VAL A 7 14.106 -4.151 6.364 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.816 -3.754 6.657 1.00 0.00 H new ATOM 0 HG23 VAL A 7 14.643 -2.455 6.339 1.00 0.00 H new ATOM 113 N LYS A 8 18.076 -2.493 5.901 1.00 0.00 N ATOM 114 CA LYS A 8 19.301 -2.873 6.596 1.00 0.00 C ATOM 115 C LYS A 8 19.159 -2.665 8.100 1.00 0.00 C ATOM 116 O LYS A 8 19.812 -1.798 8.681 1.00 0.00 O ATOM 117 CB LYS A 8 20.484 -2.059 6.067 1.00 0.00 C ATOM 118 CG LYS A 8 20.437 -1.819 4.568 1.00 0.00 C ATOM 119 CD LYS A 8 21.598 -0.956 4.105 1.00 0.00 C ATOM 120 CE LYS A 8 22.830 -1.794 3.801 1.00 0.00 C ATOM 121 NZ LYS A 8 22.792 -2.358 2.423 1.00 0.00 N ATOM 0 H LYS A 8 17.592 -1.692 6.307 1.00 0.00 H new ATOM 0 HA LYS A 8 19.483 -3.931 6.409 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.510 -1.097 6.580 1.00 0.00 H new ATOM 0 HB3 LYS A 8 21.410 -2.578 6.314 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.462 -2.775 4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.496 -1.336 4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 8 21.306 -0.400 3.214 1.00 0.00 H new ATOM 0 HD3 LYS A 8 21.837 -0.222 4.875 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.724 -1.181 3.918 1.00 0.00 H new ATOM 0 HE3 LYS A 8 22.904 -2.606 4.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.649 -2.922 2.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.953 -2.963 2.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.747 -1.582 1.732 1.00 0.00 H new ATOM 135 N TRP A 9 18.303 -3.466 8.725 1.00 0.00 N ATOM 136 CA TRP A 9 18.078 -3.370 10.163 1.00 0.00 C ATOM 137 C TRP A 9 18.780 -4.505 10.901 1.00 0.00 C ATOM 138 O TRP A 9 18.742 -5.656 10.469 1.00 0.00 O ATOM 139 CB TRP A 9 16.579 -3.398 10.467 1.00 0.00 C ATOM 140 CG TRP A 9 16.245 -2.927 11.851 1.00 0.00 C ATOM 141 CD1 TRP A 9 15.487 -3.582 12.779 1.00 0.00 C ATOM 142 CD2 TRP A 9 16.657 -1.699 12.461 1.00 0.00 C ATOM 143 NE1 TRP A 9 15.403 -2.835 13.929 1.00 0.00 N ATOM 144 CE2 TRP A 9 16.113 -1.676 13.760 1.00 0.00 C ATOM 145 CE3 TRP A 9 17.434 -0.618 12.037 1.00 0.00 C ATOM 146 CZ2 TRP A 9 16.321 -0.614 14.635 1.00 0.00 C ATOM 147 CZ3 TRP A 9 17.639 0.436 12.907 1.00 0.00 C ATOM 148 CH2 TRP A 9 17.085 0.432 14.194 1.00 0.00 C ATOM 0 H TRP A 9 17.754 -4.188 8.259 1.00 0.00 H new ATOM 0 HA TRP A 9 18.495 -2.424 10.509 1.00 0.00 H new ATOM 0 HB2 TRP A 9 16.057 -2.773 9.742 1.00 0.00 H new ATOM 0 HB3 TRP A 9 16.208 -4.415 10.337 1.00 0.00 H new ATOM 0 HD1 TRP A 9 15.022 -4.545 12.631 1.00 0.00 H new ATOM 0 HE1 TRP A 9 14.894 -3.101 14.772 1.00 0.00 H new ATOM 0 HE3 TRP A 9 17.866 -0.606 11.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 15.894 -0.615 15.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 18.237 1.278 12.589 1.00 0.00 H new ATOM 0 HH2 TRP A 9 17.264 1.271 14.850 1.00 0.00 H new ATOM 159 N GLY A 10 19.421 -4.172 12.017 1.00 0.00 N ATOM 160 CA GLY A 10 20.123 -5.174 12.797 1.00 0.00 C ATOM 161 C GLY A 10 20.987 -6.076 11.939 1.00 0.00 C ATOM 162 O GLY A 10 21.975 -5.630 11.356 1.00 0.00 O ATOM 0 H GLY A 10 19.467 -3.226 12.395 1.00 0.00 H new ATOM 0 HA2 GLY A 10 20.747 -4.679 13.541 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.398 -5.780 13.341 1.00 0.00 H new ATOM 166 N GLY A 11 20.616 -7.351 11.861 1.00 0.00 N ATOM 167 CA GLY A 11 21.377 -8.298 11.067 1.00 0.00 C ATOM 168 C GLY A 11 20.659 -8.694 9.792 1.00 0.00 C ATOM 169 O GLY A 11 21.177 -9.480 9.000 1.00 0.00 O ATOM 0 H GLY A 11 19.802 -7.744 12.334 1.00 0.00 H new ATOM 0 HA2 GLY A 11 22.344 -7.862 10.816 1.00 0.00 H new ATOM 0 HA3 GLY A 11 21.574 -9.190 11.661 1.00 0.00 H new ATOM 173 N GLN A 12 19.463 -8.149 9.594 1.00 0.00 N ATOM 174 CA GLN A 12 18.672 -8.452 8.407 1.00 0.00 C ATOM 175 C GLN A 12 18.816 -7.351 7.362 1.00 0.00 C ATOM 176 O GLN A 12 18.155 -6.316 7.442 1.00 0.00 O ATOM 177 CB GLN A 12 17.199 -8.628 8.781 1.00 0.00 C ATOM 178 CG GLN A 12 16.681 -7.559 9.730 1.00 0.00 C ATOM 179 CD GLN A 12 15.171 -7.585 9.868 1.00 0.00 C ATOM 180 OE1 GLN A 12 14.460 -8.008 8.957 1.00 0.00 O ATOM 181 NE2 GLN A 12 14.674 -7.131 11.013 1.00 0.00 N ATOM 0 H GLN A 12 19.021 -7.495 10.240 1.00 0.00 H new ATOM 0 HA GLN A 12 19.045 -9.383 7.981 1.00 0.00 H new ATOM 0 HB2 GLN A 12 16.598 -8.617 7.872 1.00 0.00 H new ATOM 0 HB3 GLN A 12 17.064 -9.607 9.241 1.00 0.00 H new ATOM 0 HG2 GLN A 12 17.134 -7.699 10.711 1.00 0.00 H new ATOM 0 HG3 GLN A 12 16.993 -6.578 9.372 1.00 0.00 H new ATOM 0 HE21 GLN A 12 15.301 -6.790 11.741 1.00 0.00 H new ATOM 0 HE22 GLN A 12 13.665 -7.124 11.164 1.00 0.00 H new ATOM 190 N GLU A 13 19.684 -7.582 6.382 1.00 0.00 N ATOM 191 CA GLU A 13 19.915 -6.608 5.321 1.00 0.00 C ATOM 192 C GLU A 13 19.492 -7.168 3.967 1.00 0.00 C ATOM 193 O GLU A 13 20.328 -7.599 3.172 1.00 0.00 O ATOM 194 CB GLU A 13 21.390 -6.205 5.281 1.00 0.00 C ATOM 195 CG GLU A 13 21.675 -5.031 4.359 1.00 0.00 C ATOM 196 CD GLU A 13 23.018 -5.148 3.664 1.00 0.00 C ATOM 197 OE1 GLU A 13 24.049 -4.892 4.320 1.00 0.00 O ATOM 198 OE2 GLU A 13 23.037 -5.494 2.464 1.00 0.00 O ATOM 0 H GLU A 13 20.238 -8.434 6.301 1.00 0.00 H new ATOM 0 HA GLU A 13 19.311 -5.726 5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 13 21.716 -5.952 6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 13 21.983 -7.061 4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 13 20.887 -4.963 3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 13 21.648 -4.106 4.935 1.00 0.00 H new ATOM 205 N TYR A 14 18.188 -7.160 3.710 1.00 0.00 N ATOM 206 CA TYR A 14 17.653 -7.670 2.454 1.00 0.00 C ATOM 207 C TYR A 14 17.338 -6.528 1.492 1.00 0.00 C ATOM 208 O TYR A 14 17.600 -5.362 1.789 1.00 0.00 O ATOM 209 CB TYR A 14 16.393 -8.498 2.711 1.00 0.00 C ATOM 210 CG TYR A 14 16.577 -9.976 2.456 1.00 0.00 C ATOM 211 CD1 TYR A 14 17.715 -10.641 2.896 1.00 0.00 C ATOM 212 CD2 TYR A 14 15.613 -10.709 1.774 1.00 0.00 C ATOM 213 CE1 TYR A 14 17.888 -11.992 2.665 1.00 0.00 C ATOM 214 CE2 TYR A 14 15.777 -12.061 1.539 1.00 0.00 C ATOM 215 CZ TYR A 14 16.916 -12.697 1.986 1.00 0.00 C ATOM 216 OH TYR A 14 17.084 -14.043 1.754 1.00 0.00 O ATOM 0 H TYR A 14 17.482 -6.806 4.356 1.00 0.00 H new ATOM 0 HA TYR A 14 18.411 -8.307 1.997 1.00 0.00 H new ATOM 0 HB2 TYR A 14 16.078 -8.353 3.744 1.00 0.00 H new ATOM 0 HB3 TYR A 14 15.588 -8.126 2.077 1.00 0.00 H new ATOM 0 HD1 TYR A 14 18.478 -10.092 3.428 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.720 -10.214 1.422 1.00 0.00 H new ATOM 0 HE1 TYR A 14 18.779 -12.493 3.014 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.018 -12.616 1.008 1.00 0.00 H new ATOM 0 HH TYR A 14 16.309 -14.390 1.265 1.00 0.00 H new ATOM 226 N SER A 15 16.774 -6.873 0.339 1.00 0.00 N ATOM 227 CA SER A 15 16.425 -5.878 -0.669 1.00 0.00 C ATOM 228 C SER A 15 14.914 -5.812 -0.867 1.00 0.00 C ATOM 229 O SER A 15 14.290 -6.781 -1.302 1.00 0.00 O ATOM 230 CB SER A 15 17.112 -6.204 -1.996 1.00 0.00 C ATOM 231 OG SER A 15 16.797 -5.238 -2.984 1.00 0.00 O ATOM 0 H SER A 15 16.549 -7.833 0.079 1.00 0.00 H new ATOM 0 HA SER A 15 16.770 -4.905 -0.319 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.192 -6.241 -1.851 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.802 -7.192 -2.337 1.00 0.00 H new ATOM 0 HG SER A 15 17.249 -5.468 -3.822 1.00 0.00 H new ATOM 237 N VAL A 16 14.331 -4.662 -0.545 1.00 0.00 N ATOM 238 CA VAL A 16 12.893 -4.467 -0.688 1.00 0.00 C ATOM 239 C VAL A 16 12.557 -3.819 -2.026 1.00 0.00 C ATOM 240 O VAL A 16 11.561 -3.106 -2.151 1.00 0.00 O ATOM 241 CB VAL A 16 12.329 -3.595 0.449 1.00 0.00 C ATOM 242 CG1 VAL A 16 10.816 -3.731 0.527 1.00 0.00 C ATOM 243 CG2 VAL A 16 12.975 -3.965 1.775 1.00 0.00 C ATOM 0 H VAL A 16 14.832 -3.851 -0.183 1.00 0.00 H new ATOM 0 HA VAL A 16 12.433 -5.454 -0.640 1.00 0.00 H new ATOM 0 HB VAL A 16 12.565 -2.553 0.235 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.436 -3.108 1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.373 -3.411 -0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.554 -4.772 0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 16 12.564 -3.339 2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.772 -5.012 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 16 14.052 -3.809 1.711 1.00 0.00 H new ATOM 253 N THR A 17 13.394 -4.072 -3.027 1.00 0.00 N ATOM 254 CA THR A 17 13.186 -3.514 -4.357 1.00 0.00 C ATOM 255 C THR A 17 11.921 -4.073 -4.998 1.00 0.00 C ATOM 256 O THR A 17 11.291 -4.985 -4.460 1.00 0.00 O ATOM 257 CB THR A 17 14.385 -3.800 -5.281 1.00 0.00 C ATOM 258 OG1 THR A 17 14.199 -3.149 -6.542 1.00 0.00 O ATOM 259 CG2 THR A 17 14.557 -5.296 -5.496 1.00 0.00 C ATOM 0 H THR A 17 14.223 -4.660 -2.942 1.00 0.00 H new ATOM 0 HA THR A 17 13.081 -2.436 -4.233 1.00 0.00 H new ATOM 0 HB THR A 17 15.284 -3.412 -4.803 1.00 0.00 H new ATOM 0 HG1 THR A 17 14.967 -3.335 -7.122 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.410 -5.474 -6.152 1.00 0.00 H new ATOM 0 HG22 THR A 17 14.729 -5.784 -4.537 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.656 -5.704 -5.954 1.00 0.00 H new ATOM 267 N THR A 18 11.553 -3.523 -6.151 1.00 0.00 N ATOM 268 CA THR A 18 10.363 -3.967 -6.864 1.00 0.00 C ATOM 269 C THR A 18 10.690 -5.106 -7.823 1.00 0.00 C ATOM 270 O THR A 18 9.794 -5.701 -8.425 1.00 0.00 O ATOM 271 CB THR A 18 9.719 -2.813 -7.656 1.00 0.00 C ATOM 272 OG1 THR A 18 8.466 -3.235 -8.205 1.00 0.00 O ATOM 273 CG2 THR A 18 10.638 -2.346 -8.775 1.00 0.00 C ATOM 0 H THR A 18 12.063 -2.769 -6.611 1.00 0.00 H new ATOM 0 HA THR A 18 9.657 -4.320 -6.112 1.00 0.00 H new ATOM 0 HB THR A 18 9.553 -1.980 -6.972 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.469 -4.209 -8.316 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.162 -1.531 -9.320 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.580 -1.998 -8.351 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.831 -3.174 -9.457 1.00 0.00 H new ATOM 281 N LEU A 19 11.976 -5.406 -7.962 1.00 0.00 N ATOM 282 CA LEU A 19 12.422 -6.475 -8.849 1.00 0.00 C ATOM 283 C LEU A 19 12.160 -6.117 -10.308 1.00 0.00 C ATOM 284 O LEU A 19 11.715 -5.011 -10.616 1.00 0.00 O ATOM 285 CB LEU A 19 11.712 -7.784 -8.498 1.00 0.00 C ATOM 286 CG LEU A 19 11.508 -8.058 -7.008 1.00 0.00 C ATOM 287 CD1 LEU A 19 10.515 -9.193 -6.805 1.00 0.00 C ATOM 288 CD2 LEU A 19 12.836 -8.383 -6.339 1.00 0.00 C ATOM 0 H LEU A 19 12.729 -4.924 -7.472 1.00 0.00 H new ATOM 0 HA LEU A 19 13.496 -6.603 -8.713 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.737 -7.787 -8.984 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.283 -8.609 -8.924 1.00 0.00 H new ATOM 0 HG LEU A 19 11.101 -7.159 -6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.382 -9.374 -5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.557 -8.922 -7.249 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.893 -10.097 -7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.672 -8.575 -5.279 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.271 -9.267 -6.805 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.517 -7.540 -6.454 1.00 0.00 H new ATOM 300 N SER A 20 12.439 -7.060 -11.202 1.00 0.00 N ATOM 301 CA SER A 20 12.235 -6.843 -12.630 1.00 0.00 C ATOM 302 C SER A 20 10.753 -6.913 -12.985 1.00 0.00 C ATOM 303 O SER A 20 9.925 -7.298 -12.160 1.00 0.00 O ATOM 304 CB SER A 20 13.015 -7.880 -13.441 1.00 0.00 C ATOM 305 OG SER A 20 14.405 -7.608 -13.415 1.00 0.00 O ATOM 0 H SER A 20 12.807 -7.981 -10.963 1.00 0.00 H new ATOM 0 HA SER A 20 12.603 -5.847 -12.877 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.829 -8.876 -13.039 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.661 -7.881 -14.472 1.00 0.00 H new ATOM 0 HG SER A 20 14.881 -8.286 -13.939 1.00 0.00 H new ATOM 311 N GLU A 21 10.428 -6.538 -14.218 1.00 0.00 N ATOM 312 CA GLU A 21 9.045 -6.557 -14.681 1.00 0.00 C ATOM 313 C GLU A 21 8.480 -7.974 -14.650 1.00 0.00 C ATOM 314 O GLU A 21 7.282 -8.172 -14.451 1.00 0.00 O ATOM 315 CB GLU A 21 8.952 -5.990 -16.100 1.00 0.00 C ATOM 316 CG GLU A 21 9.848 -6.701 -17.099 1.00 0.00 C ATOM 317 CD GLU A 21 9.584 -6.271 -18.529 1.00 0.00 C ATOM 318 OE1 GLU A 21 10.071 -5.192 -18.924 1.00 0.00 O ATOM 319 OE2 GLU A 21 8.889 -7.015 -19.253 1.00 0.00 O ATOM 0 H GLU A 21 11.102 -6.218 -14.913 1.00 0.00 H new ATOM 0 HA GLU A 21 8.455 -5.935 -14.009 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.919 -6.055 -16.441 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.215 -4.932 -16.078 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.891 -6.503 -16.851 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.698 -7.777 -17.014 1.00 0.00 H new ATOM 326 N ASP A 22 9.352 -8.956 -14.848 1.00 0.00 N ATOM 327 CA ASP A 22 8.942 -10.356 -14.842 1.00 0.00 C ATOM 328 C ASP A 22 8.459 -10.775 -13.456 1.00 0.00 C ATOM 329 O ASP A 22 7.465 -11.488 -13.324 1.00 0.00 O ATOM 330 CB ASP A 22 10.100 -11.251 -15.284 1.00 0.00 C ATOM 331 CG ASP A 22 10.194 -11.373 -16.792 1.00 0.00 C ATOM 332 OD1 ASP A 22 9.165 -11.681 -17.428 1.00 0.00 O ATOM 333 OD2 ASP A 22 11.298 -11.160 -17.337 1.00 0.00 O ATOM 0 H ASP A 22 10.347 -8.809 -15.015 1.00 0.00 H new ATOM 0 HA ASP A 22 8.117 -10.470 -15.545 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.035 -10.848 -14.896 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.975 -12.243 -14.849 1.00 0.00 H new ATOM 338 N ASP A 23 9.171 -10.327 -12.428 1.00 0.00 N ATOM 339 CA ASP A 23 8.815 -10.656 -11.052 1.00 0.00 C ATOM 340 C ASP A 23 7.874 -9.606 -10.469 1.00 0.00 C ATOM 341 O ASP A 23 7.474 -8.665 -11.155 1.00 0.00 O ATOM 342 CB ASP A 23 10.074 -10.765 -10.190 1.00 0.00 C ATOM 343 CG ASP A 23 10.883 -12.009 -10.501 1.00 0.00 C ATOM 344 OD1 ASP A 23 10.389 -12.860 -11.270 1.00 0.00 O ATOM 345 OD2 ASP A 23 12.009 -12.132 -9.975 1.00 0.00 O ATOM 0 H ASP A 23 9.997 -9.736 -12.521 1.00 0.00 H new ATOM 0 HA ASP A 23 8.301 -11.617 -11.055 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.695 -9.883 -10.346 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.791 -10.773 -9.138 1.00 0.00 H new ATOM 350 N THR A 24 7.522 -9.775 -9.198 1.00 0.00 N ATOM 351 CA THR A 24 6.627 -8.844 -8.523 1.00 0.00 C ATOM 352 C THR A 24 6.889 -8.820 -7.021 1.00 0.00 C ATOM 353 O THR A 24 7.589 -9.682 -6.489 1.00 0.00 O ATOM 354 CB THR A 24 5.150 -9.208 -8.769 1.00 0.00 C ATOM 355 OG1 THR A 24 5.038 -10.592 -9.119 1.00 0.00 O ATOM 356 CG2 THR A 24 4.559 -8.349 -9.877 1.00 0.00 C ATOM 0 H THR A 24 7.843 -10.548 -8.616 1.00 0.00 H new ATOM 0 HA THR A 24 6.825 -7.856 -8.939 1.00 0.00 H new ATOM 0 HB THR A 24 4.594 -9.021 -7.850 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.266 -10.719 -9.709 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.516 -8.624 -10.033 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.619 -7.298 -9.594 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.118 -8.509 -10.799 1.00 0.00 H new ATOM 364 N VAL A 25 6.321 -7.828 -6.342 1.00 0.00 N ATOM 365 CA VAL A 25 6.492 -7.693 -4.900 1.00 0.00 C ATOM 366 C VAL A 25 6.141 -8.991 -4.181 1.00 0.00 C ATOM 367 O VAL A 25 6.685 -9.291 -3.117 1.00 0.00 O ATOM 368 CB VAL A 25 5.621 -6.555 -4.336 1.00 0.00 C ATOM 369 CG1 VAL A 25 5.561 -6.631 -2.818 1.00 0.00 C ATOM 370 CG2 VAL A 25 6.152 -5.204 -4.790 1.00 0.00 C ATOM 0 H VAL A 25 5.739 -7.106 -6.767 1.00 0.00 H new ATOM 0 HA VAL A 25 7.542 -7.457 -4.726 1.00 0.00 H new ATOM 0 HB VAL A 25 4.608 -6.670 -4.722 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.941 -5.819 -2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.131 -7.587 -2.518 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.567 -6.542 -2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.525 -4.411 -4.383 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.175 -5.077 -4.435 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.138 -5.155 -5.879 1.00 0.00 H new ATOM 380 N LEU A 26 5.230 -9.758 -4.769 1.00 0.00 N ATOM 381 CA LEU A 26 4.805 -11.026 -4.185 1.00 0.00 C ATOM 382 C LEU A 26 6.003 -11.935 -3.927 1.00 0.00 C ATOM 383 O LEU A 26 6.033 -12.675 -2.944 1.00 0.00 O ATOM 384 CB LEU A 26 3.808 -11.727 -5.108 1.00 0.00 C ATOM 385 CG LEU A 26 4.401 -12.418 -6.337 1.00 0.00 C ATOM 386 CD1 LEU A 26 4.768 -13.858 -6.014 1.00 0.00 C ATOM 387 CD2 LEU A 26 3.425 -12.363 -7.503 1.00 0.00 C ATOM 0 H LEU A 26 4.771 -9.525 -5.650 1.00 0.00 H new ATOM 0 HA LEU A 26 4.321 -10.814 -3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.265 -12.471 -4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.078 -10.992 -5.446 1.00 0.00 H new ATOM 0 HG LEU A 26 5.309 -11.889 -6.625 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.188 -14.334 -6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.504 -13.874 -5.210 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.875 -14.399 -5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.864 -12.859 -8.369 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.499 -12.867 -7.226 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.212 -11.323 -7.751 1.00 0.00 H new ATOM 399 N ASP A 27 6.989 -11.872 -4.816 1.00 0.00 N ATOM 400 CA ASP A 27 8.191 -12.686 -4.683 1.00 0.00 C ATOM 401 C ASP A 27 8.974 -12.300 -3.433 1.00 0.00 C ATOM 402 O ASP A 27 9.071 -13.078 -2.482 1.00 0.00 O ATOM 403 CB ASP A 27 9.075 -12.534 -5.922 1.00 0.00 C ATOM 404 CG ASP A 27 8.695 -13.499 -7.027 1.00 0.00 C ATOM 405 OD1 ASP A 27 8.912 -14.717 -6.852 1.00 0.00 O ATOM 406 OD2 ASP A 27 8.181 -13.037 -8.067 1.00 0.00 O ATOM 0 H ASP A 27 6.979 -11.266 -5.636 1.00 0.00 H new ATOM 0 HA ASP A 27 7.886 -13.728 -4.590 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.001 -11.512 -6.295 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.116 -12.697 -5.644 1.00 0.00 H new ATOM 411 N LEU A 28 9.533 -11.095 -3.440 1.00 0.00 N ATOM 412 CA LEU A 28 10.309 -10.605 -2.306 1.00 0.00 C ATOM 413 C LEU A 28 9.531 -10.763 -1.004 1.00 0.00 C ATOM 414 O LEU A 28 10.115 -10.980 0.058 1.00 0.00 O ATOM 415 CB LEU A 28 10.682 -9.136 -2.515 1.00 0.00 C ATOM 416 CG LEU A 28 9.624 -8.110 -2.108 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.804 -7.705 -0.654 1.00 0.00 C ATOM 418 CD2 LEU A 28 9.686 -6.890 -3.016 1.00 0.00 C ATOM 0 H LEU A 28 9.463 -10.439 -4.218 1.00 0.00 H new ATOM 0 HA LEU A 28 11.220 -11.199 -2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.594 -8.930 -1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.916 -8.988 -3.569 1.00 0.00 H new ATOM 0 HG LEU A 28 8.641 -8.568 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.042 -6.974 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.707 -8.584 -0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.792 -7.266 -0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.926 -6.171 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.671 -6.430 -2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.505 -7.194 -4.047 1.00 0.00 H new ATOM 430 N LYS A 29 8.210 -10.656 -1.094 1.00 0.00 N ATOM 431 CA LYS A 29 7.350 -10.792 0.076 1.00 0.00 C ATOM 432 C LYS A 29 7.571 -12.136 0.762 1.00 0.00 C ATOM 433 O LYS A 29 7.892 -12.191 1.949 1.00 0.00 O ATOM 434 CB LYS A 29 5.880 -10.648 -0.327 1.00 0.00 C ATOM 435 CG LYS A 29 4.960 -10.324 0.837 1.00 0.00 C ATOM 436 CD LYS A 29 3.498 -10.425 0.436 1.00 0.00 C ATOM 437 CE LYS A 29 2.616 -9.554 1.318 1.00 0.00 C ATOM 438 NZ LYS A 29 2.216 -10.257 2.568 1.00 0.00 N ATOM 0 H LYS A 29 7.711 -10.475 -1.965 1.00 0.00 H new ATOM 0 HA LYS A 29 7.608 -10.000 0.779 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.793 -9.863 -1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.548 -11.575 -0.795 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.160 -11.008 1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.170 -9.318 1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.384 -10.124 -0.605 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.172 -11.463 0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.148 -8.637 1.571 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.724 -9.262 0.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.616 -9.631 3.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.686 -11.119 2.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.066 -10.513 3.109 1.00 0.00 H new ATOM 452 N GLN A 30 7.400 -13.216 0.006 1.00 0.00 N ATOM 453 CA GLN A 30 7.582 -14.560 0.543 1.00 0.00 C ATOM 454 C GLN A 30 8.992 -14.738 1.096 1.00 0.00 C ATOM 455 O GLN A 30 9.206 -15.489 2.048 1.00 0.00 O ATOM 456 CB GLN A 30 7.310 -15.605 -0.540 1.00 0.00 C ATOM 457 CG GLN A 30 5.849 -15.690 -0.950 1.00 0.00 C ATOM 458 CD GLN A 30 5.536 -16.948 -1.737 1.00 0.00 C ATOM 459 OE1 GLN A 30 6.380 -17.834 -1.874 1.00 0.00 O ATOM 460 NE2 GLN A 30 4.317 -17.033 -2.258 1.00 0.00 N ATOM 0 H GLN A 30 7.136 -13.187 -0.979 1.00 0.00 H new ATOM 0 HA GLN A 30 6.872 -14.699 1.358 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.912 -15.371 -1.418 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.635 -16.581 -0.181 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.223 -15.659 -0.058 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.593 -14.817 -1.550 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.649 -16.275 -2.119 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.049 -17.857 -2.797 1.00 0.00 H new ATOM 469 N PHE A 31 9.951 -14.044 0.493 1.00 0.00 N ATOM 470 CA PHE A 31 11.342 -14.127 0.924 1.00 0.00 C ATOM 471 C PHE A 31 11.511 -13.551 2.327 1.00 0.00 C ATOM 472 O PHE A 31 12.353 -14.008 3.101 1.00 0.00 O ATOM 473 CB PHE A 31 12.248 -13.382 -0.058 1.00 0.00 C ATOM 474 CG PHE A 31 12.786 -14.255 -1.156 1.00 0.00 C ATOM 475 CD1 PHE A 31 11.926 -14.915 -2.019 1.00 0.00 C ATOM 476 CD2 PHE A 31 14.152 -14.414 -1.326 1.00 0.00 C ATOM 477 CE1 PHE A 31 12.419 -15.718 -3.030 1.00 0.00 C ATOM 478 CE2 PHE A 31 14.651 -15.216 -2.335 1.00 0.00 C ATOM 479 CZ PHE A 31 13.783 -15.868 -3.189 1.00 0.00 C ATOM 0 H PHE A 31 9.791 -13.418 -0.296 1.00 0.00 H new ATOM 0 HA PHE A 31 11.628 -15.179 0.945 1.00 0.00 H new ATOM 0 HB2 PHE A 31 11.690 -12.557 -0.501 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.083 -12.945 0.490 1.00 0.00 H new ATOM 0 HD1 PHE A 31 10.859 -14.801 -1.900 1.00 0.00 H new ATOM 0 HD2 PHE A 31 14.835 -13.905 -0.662 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.738 -16.228 -3.695 1.00 0.00 H new ATOM 0 HE2 PHE A 31 15.718 -15.333 -2.455 1.00 0.00 H new ATOM 0 HZ PHE A 31 14.170 -16.494 -3.980 1.00 0.00 H new ATOM 489 N LEU A 32 10.706 -12.544 2.648 1.00 0.00 N ATOM 490 CA LEU A 32 10.766 -11.903 3.957 1.00 0.00 C ATOM 491 C LEU A 32 10.066 -12.755 5.012 1.00 0.00 C ATOM 492 O LEU A 32 10.435 -12.734 6.187 1.00 0.00 O ATOM 493 CB LEU A 32 10.124 -10.516 3.897 1.00 0.00 C ATOM 494 CG LEU A 32 10.800 -9.503 2.972 1.00 0.00 C ATOM 495 CD1 LEU A 32 10.114 -8.150 3.071 1.00 0.00 C ATOM 496 CD2 LEU A 32 12.279 -9.380 3.307 1.00 0.00 C ATOM 0 H LEU A 32 10.004 -12.154 2.019 1.00 0.00 H new ATOM 0 HA LEU A 32 11.814 -11.799 4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.087 -10.631 3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.106 -10.102 4.905 1.00 0.00 H new ATOM 0 HG LEU A 32 10.709 -9.859 1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.608 -7.442 2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.068 -8.250 2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.173 -7.786 4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.744 -8.655 2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.392 -9.047 4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.762 -10.349 3.183 1.00 0.00 H new ATOM 508 N LYS A 33 9.056 -13.505 4.585 1.00 0.00 N ATOM 509 CA LYS A 33 8.306 -14.366 5.491 1.00 0.00 C ATOM 510 C LYS A 33 9.131 -15.587 5.889 1.00 0.00 C ATOM 511 O LYS A 33 9.002 -16.102 7.000 1.00 0.00 O ATOM 512 CB LYS A 33 6.997 -14.814 4.837 1.00 0.00 C ATOM 513 CG LYS A 33 6.462 -16.127 5.381 1.00 0.00 C ATOM 514 CD LYS A 33 6.955 -17.311 4.566 1.00 0.00 C ATOM 515 CE LYS A 33 7.210 -18.525 5.445 1.00 0.00 C ATOM 516 NZ LYS A 33 7.504 -19.742 4.638 1.00 0.00 N ATOM 0 H LYS A 33 8.738 -13.534 3.616 1.00 0.00 H new ATOM 0 HA LYS A 33 8.078 -13.793 6.390 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.245 -14.038 4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.153 -14.912 3.763 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.772 -16.245 6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.372 -16.108 5.374 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.218 -17.561 3.803 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.873 -17.039 4.045 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.047 -18.321 6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.338 -18.708 6.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.672 -20.548 5.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.695 -19.952 4.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.351 -19.577 4.057 1.00 0.00 H new ATOM 530 N THR A 34 9.981 -16.045 4.974 1.00 0.00 N ATOM 531 CA THR A 34 10.827 -17.203 5.230 1.00 0.00 C ATOM 532 C THR A 34 12.155 -16.788 5.851 1.00 0.00 C ATOM 533 O THR A 34 12.776 -17.557 6.586 1.00 0.00 O ATOM 534 CB THR A 34 11.102 -17.994 3.936 1.00 0.00 C ATOM 535 OG1 THR A 34 11.863 -19.170 4.234 1.00 0.00 O ATOM 536 CG2 THR A 34 11.855 -17.138 2.929 1.00 0.00 C ATOM 0 H THR A 34 10.101 -15.631 4.050 1.00 0.00 H new ATOM 0 HA THR A 34 10.287 -17.841 5.930 1.00 0.00 H new ATOM 0 HB THR A 34 10.145 -18.282 3.501 1.00 0.00 H new ATOM 0 HG1 THR A 34 12.032 -19.668 3.407 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.038 -17.717 2.024 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.261 -16.258 2.683 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.807 -16.824 3.358 1.00 0.00 H new ATOM 544 N LEU A 35 12.587 -15.568 5.551 1.00 0.00 N ATOM 545 CA LEU A 35 13.843 -15.049 6.081 1.00 0.00 C ATOM 546 C LEU A 35 13.644 -14.459 7.474 1.00 0.00 C ATOM 547 O LEU A 35 14.411 -14.741 8.396 1.00 0.00 O ATOM 548 CB LEU A 35 14.416 -13.987 5.142 1.00 0.00 C ATOM 549 CG LEU A 35 15.689 -13.286 5.618 1.00 0.00 C ATOM 550 CD1 LEU A 35 16.922 -14.014 5.104 1.00 0.00 C ATOM 551 CD2 LEU A 35 15.699 -11.833 5.167 1.00 0.00 C ATOM 0 H LEU A 35 12.086 -14.920 4.943 1.00 0.00 H new ATOM 0 HA LEU A 35 14.547 -15.878 6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.621 -14.455 4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.650 -13.230 4.972 1.00 0.00 H new ATOM 0 HG LEU A 35 15.707 -13.307 6.708 1.00 0.00 H new ATOM 0 HD11 LEU A 35 17.819 -13.501 5.452 1.00 0.00 H new ATOM 0 HD12 LEU A 35 16.922 -15.038 5.477 1.00 0.00 H new ATOM 0 HD13 LEU A 35 16.910 -14.025 4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.612 -11.350 5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.658 -11.790 4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.834 -11.317 5.584 1.00 0.00 H new ATOM 563 N THR A 36 12.608 -13.639 7.621 1.00 0.00 N ATOM 564 CA THR A 36 12.307 -13.010 8.901 1.00 0.00 C ATOM 565 C THR A 36 11.080 -13.642 9.549 1.00 0.00 C ATOM 566 O THR A 36 11.045 -13.853 10.760 1.00 0.00 O ATOM 567 CB THR A 36 12.067 -11.497 8.741 1.00 0.00 C ATOM 568 OG1 THR A 36 10.686 -11.247 8.459 1.00 0.00 O ATOM 569 CG2 THR A 36 12.929 -10.928 7.623 1.00 0.00 C ATOM 0 H THR A 36 11.963 -13.395 6.869 1.00 0.00 H new ATOM 0 HA THR A 36 13.175 -13.167 9.542 1.00 0.00 H new ATOM 0 HB THR A 36 12.341 -11.007 9.675 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.463 -11.603 7.573 1.00 0.00 H new ATOM 0 HG21 THR A 36 12.743 -9.858 7.528 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.981 -11.094 7.854 1.00 0.00 H new ATOM 0 HG23 THR A 36 12.681 -11.424 6.684 1.00 0.00 H new ATOM 577 N GLY A 37 10.074 -13.943 8.733 1.00 0.00 N ATOM 578 CA GLY A 37 8.859 -14.548 9.245 1.00 0.00 C ATOM 579 C GLY A 37 8.287 -13.789 10.426 1.00 0.00 C ATOM 580 O GLY A 37 7.619 -14.370 11.282 1.00 0.00 O ATOM 0 H GLY A 37 10.079 -13.778 7.726 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.115 -14.591 8.450 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.066 -15.576 9.543 1.00 0.00 H new ATOM 584 N VAL A 38 8.550 -12.487 10.475 1.00 0.00 N ATOM 585 CA VAL A 38 8.057 -11.647 11.560 1.00 0.00 C ATOM 586 C VAL A 38 7.165 -10.531 11.029 1.00 0.00 C ATOM 587 O VAL A 38 6.508 -9.827 11.798 1.00 0.00 O ATOM 588 CB VAL A 38 9.217 -11.027 12.361 1.00 0.00 C ATOM 589 CG1 VAL A 38 10.001 -10.051 11.496 1.00 0.00 C ATOM 590 CG2 VAL A 38 8.692 -10.339 13.612 1.00 0.00 C ATOM 0 H VAL A 38 9.102 -11.991 9.775 1.00 0.00 H new ATOM 0 HA VAL A 38 7.474 -12.290 12.219 1.00 0.00 H new ATOM 0 HB VAL A 38 9.891 -11.826 12.669 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.817 -9.623 12.079 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.409 -10.577 10.633 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.340 -9.254 11.156 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.525 -9.906 14.166 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.996 -9.550 13.328 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.178 -11.067 14.239 1.00 0.00 H new ATOM 600 N LEU A 39 7.147 -10.373 9.710 1.00 0.00 N ATOM 601 CA LEU A 39 6.334 -9.341 9.075 1.00 0.00 C ATOM 602 C LEU A 39 4.854 -9.548 9.379 1.00 0.00 C ATOM 603 O LEU A 39 4.179 -8.676 9.926 1.00 0.00 O ATOM 604 CB LEU A 39 6.561 -9.345 7.562 1.00 0.00 C ATOM 605 CG LEU A 39 7.623 -8.376 7.040 1.00 0.00 C ATOM 606 CD1 LEU A 39 8.922 -8.539 7.813 1.00 0.00 C ATOM 607 CD2 LEU A 39 7.855 -8.591 5.551 1.00 0.00 C ATOM 0 H LEU A 39 7.685 -10.946 9.060 1.00 0.00 H new ATOM 0 HA LEU A 39 6.637 -8.375 9.480 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.839 -10.355 7.259 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.615 -9.114 7.072 1.00 0.00 H new ATOM 0 HG LEU A 39 7.262 -7.358 7.188 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.665 -7.841 7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.745 -8.334 8.869 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.288 -9.559 7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.614 -7.893 5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.193 -9.613 5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.924 -8.421 5.010 1.00 0.00 H new ATOM 619 N PRO A 40 4.336 -10.732 9.018 1.00 0.00 N ATOM 620 CA PRO A 40 2.931 -11.083 9.245 1.00 0.00 C ATOM 621 C PRO A 40 2.615 -11.285 10.723 1.00 0.00 C ATOM 622 O PRO A 40 1.458 -11.461 11.100 1.00 0.00 O ATOM 623 CB PRO A 40 2.766 -12.398 8.478 1.00 0.00 C ATOM 624 CG PRO A 40 4.135 -12.984 8.432 1.00 0.00 C ATOM 625 CD PRO A 40 5.082 -11.818 8.361 1.00 0.00 C ATOM 0 HA PRO A 40 2.255 -10.294 8.916 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.067 -13.065 8.982 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.375 -12.225 7.475 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.329 -13.591 9.316 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.252 -13.635 7.566 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.019 -12.030 8.875 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.333 -11.567 7.331 1.00 0.00 H new ATOM 633 N GLU A 41 3.653 -11.259 11.554 1.00 0.00 N ATOM 634 CA GLU A 41 3.484 -11.440 12.991 1.00 0.00 C ATOM 635 C GLU A 41 3.460 -10.094 13.709 1.00 0.00 C ATOM 636 O GLU A 41 2.655 -9.877 14.616 1.00 0.00 O ATOM 637 CB GLU A 41 4.610 -12.310 13.553 1.00 0.00 C ATOM 638 CG GLU A 41 4.796 -13.621 12.808 1.00 0.00 C ATOM 639 CD GLU A 41 5.204 -14.759 13.723 1.00 0.00 C ATOM 640 OE1 GLU A 41 5.889 -14.492 14.732 1.00 0.00 O ATOM 641 OE2 GLU A 41 4.839 -15.917 13.430 1.00 0.00 O ATOM 0 H GLU A 41 4.618 -11.115 11.257 1.00 0.00 H new ATOM 0 HA GLU A 41 2.530 -11.939 13.159 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.543 -11.748 13.520 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.404 -12.524 14.602 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.867 -13.882 12.302 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.554 -13.491 12.036 1.00 0.00 H new ATOM 648 N ARG A 42 4.347 -9.194 13.298 1.00 0.00 N ATOM 649 CA ARG A 42 4.429 -7.870 13.904 1.00 0.00 C ATOM 650 C ARG A 42 5.536 -7.043 13.255 1.00 0.00 C ATOM 651 O ARG A 42 6.649 -7.528 13.056 1.00 0.00 O ATOM 652 CB ARG A 42 4.681 -7.988 15.408 1.00 0.00 C ATOM 653 CG ARG A 42 5.755 -9.001 15.768 1.00 0.00 C ATOM 654 CD ARG A 42 5.899 -9.150 17.274 1.00 0.00 C ATOM 655 NE ARG A 42 7.273 -9.450 17.666 1.00 0.00 N ATOM 656 CZ ARG A 42 8.234 -8.535 17.735 1.00 0.00 C ATOM 657 NH1 ARG A 42 7.971 -7.269 17.439 1.00 0.00 N ATOM 658 NH2 ARG A 42 9.460 -8.885 18.100 1.00 0.00 N ATOM 0 H ARG A 42 5.019 -9.357 12.548 1.00 0.00 H new ATOM 0 HA ARG A 42 3.477 -7.364 13.741 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.969 -7.012 15.797 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.751 -8.266 15.903 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.507 -9.967 15.328 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.708 -8.690 15.339 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.576 -8.230 17.762 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.241 -9.945 17.624 1.00 0.00 H new ATOM 0 HE ARG A 42 7.508 -10.415 17.900 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.029 -6.996 17.158 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.710 -6.568 17.493 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.666 -9.858 18.328 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.197 -8.182 18.153 1.00 0.00 H new ATOM 672 N GLN A 43 5.220 -5.794 12.929 1.00 0.00 N ATOM 673 CA GLN A 43 6.188 -4.902 12.301 1.00 0.00 C ATOM 674 C GLN A 43 5.890 -3.447 12.649 1.00 0.00 C ATOM 675 O GLN A 43 4.841 -3.133 13.211 1.00 0.00 O ATOM 676 CB GLN A 43 6.176 -5.089 10.783 1.00 0.00 C ATOM 677 CG GLN A 43 4.805 -5.431 10.223 1.00 0.00 C ATOM 678 CD GLN A 43 4.671 -5.080 8.754 1.00 0.00 C ATOM 679 OE1 GLN A 43 5.666 -4.863 8.062 1.00 0.00 O ATOM 680 NE2 GLN A 43 3.436 -5.022 8.269 1.00 0.00 N ATOM 0 H GLN A 43 4.303 -5.377 13.089 1.00 0.00 H new ATOM 0 HA GLN A 43 7.178 -5.153 12.682 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.535 -4.175 10.310 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.876 -5.881 10.517 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.617 -6.496 10.357 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.042 -4.899 10.791 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.640 -5.209 8.878 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.284 -4.790 7.287 1.00 0.00 H new ATOM 689 N LYS A 44 6.822 -2.561 12.311 1.00 0.00 N ATOM 690 CA LYS A 44 6.660 -1.138 12.586 1.00 0.00 C ATOM 691 C LYS A 44 7.581 -0.305 11.700 1.00 0.00 C ATOM 692 O LYS A 44 8.151 0.693 12.144 1.00 0.00 O ATOM 693 CB LYS A 44 6.951 -0.846 14.059 1.00 0.00 C ATOM 694 CG LYS A 44 5.903 0.029 14.725 1.00 0.00 C ATOM 695 CD LYS A 44 6.035 1.481 14.295 1.00 0.00 C ATOM 696 CE LYS A 44 5.504 2.427 15.361 1.00 0.00 C ATOM 697 NZ LYS A 44 4.019 2.536 15.316 1.00 0.00 N ATOM 0 H LYS A 44 7.697 -2.804 11.846 1.00 0.00 H new ATOM 0 HA LYS A 44 5.628 -0.866 12.365 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.022 -1.789 14.600 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.923 -0.359 14.139 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.908 -0.337 14.473 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.003 -0.041 15.808 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.082 1.708 14.094 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.490 1.637 13.364 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.813 2.075 16.345 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.945 3.414 15.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.696 3.190 16.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.725 2.896 14.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.597 1.598 15.473 1.00 0.00 H new ATOM 711 N LEU A 45 7.723 -0.720 10.446 1.00 0.00 N ATOM 712 CA LEU A 45 8.574 -0.011 9.497 1.00 0.00 C ATOM 713 C LEU A 45 8.258 1.481 9.491 1.00 0.00 C ATOM 714 O LEU A 45 7.226 1.910 10.009 1.00 0.00 O ATOM 715 CB LEU A 45 8.395 -0.587 8.091 1.00 0.00 C ATOM 716 CG LEU A 45 8.950 -1.995 7.867 1.00 0.00 C ATOM 717 CD1 LEU A 45 7.896 -3.042 8.192 1.00 0.00 C ATOM 718 CD2 LEU A 45 9.438 -2.153 6.434 1.00 0.00 C ATOM 0 H LEU A 45 7.260 -1.544 10.063 1.00 0.00 H new ATOM 0 HA LEU A 45 9.610 -0.143 9.808 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.331 -0.596 7.856 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.872 0.087 7.380 1.00 0.00 H new ATOM 0 HG LEU A 45 9.797 -2.143 8.537 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.309 -4.037 8.027 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.594 -2.943 9.235 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.029 -2.897 7.548 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.830 -3.160 6.292 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.609 -1.986 5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.226 -1.426 6.236 1.00 0.00 H new ATOM 730 N LEU A 46 9.151 2.267 8.900 1.00 0.00 N ATOM 731 CA LEU A 46 8.967 3.712 8.825 1.00 0.00 C ATOM 732 C LEU A 46 7.815 4.066 7.890 1.00 0.00 C ATOM 733 O LEU A 46 7.396 5.220 7.814 1.00 0.00 O ATOM 734 CB LEU A 46 10.254 4.386 8.345 1.00 0.00 C ATOM 735 CG LEU A 46 10.545 4.286 6.847 1.00 0.00 C ATOM 736 CD1 LEU A 46 10.424 2.846 6.374 1.00 0.00 C ATOM 737 CD2 LEU A 46 9.606 5.188 6.059 1.00 0.00 C ATOM 0 H LEU A 46 10.010 1.928 8.466 1.00 0.00 H new ATOM 0 HA LEU A 46 8.725 4.075 9.824 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.211 5.441 8.617 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.093 3.950 8.888 1.00 0.00 H new ATOM 0 HG LEU A 46 11.568 4.619 6.673 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.635 2.795 5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.138 2.224 6.915 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.413 2.485 6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.828 5.104 4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.574 4.886 6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.742 6.222 6.377 1.00 0.00 H new ATOM 749 N GLY A 47 7.305 3.063 7.181 1.00 0.00 N ATOM 750 CA GLY A 47 6.204 3.289 6.262 1.00 0.00 C ATOM 751 C GLY A 47 5.981 2.117 5.327 1.00 0.00 C ATOM 752 O GLY A 47 4.841 1.737 5.057 1.00 0.00 O ATOM 0 H GLY A 47 7.634 2.099 7.227 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.293 3.475 6.830 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.403 4.186 5.675 1.00 0.00 H new ATOM 756 N LEU A 48 7.071 1.543 4.829 1.00 0.00 N ATOM 757 CA LEU A 48 6.989 0.408 3.917 1.00 0.00 C ATOM 758 C LEU A 48 6.374 -0.804 4.609 1.00 0.00 C ATOM 759 O LEU A 48 6.777 -1.173 5.712 1.00 0.00 O ATOM 760 CB LEU A 48 8.379 0.055 3.384 1.00 0.00 C ATOM 761 CG LEU A 48 8.429 -1.023 2.302 1.00 0.00 C ATOM 762 CD1 LEU A 48 8.403 -2.409 2.927 1.00 0.00 C ATOM 763 CD2 LEU A 48 7.274 -0.854 1.326 1.00 0.00 C ATOM 0 H LEU A 48 8.022 1.845 5.042 1.00 0.00 H new ATOM 0 HA LEU A 48 6.348 0.690 3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.835 0.962 2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.995 -0.271 4.222 1.00 0.00 H new ATOM 0 HG LEU A 48 9.363 -0.913 1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.439 -3.163 2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.264 -2.528 3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.487 -2.531 3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.326 -1.630 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.329 -0.936 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.338 0.126 0.852 1.00 0.00 H new ATOM 775 N LYS A 49 5.398 -1.422 3.952 1.00 0.00 N ATOM 776 CA LYS A 49 4.729 -2.595 4.502 1.00 0.00 C ATOM 777 C LYS A 49 3.910 -2.227 5.735 1.00 0.00 C ATOM 778 O LYS A 49 4.330 -2.470 6.867 1.00 0.00 O ATOM 779 CB LYS A 49 5.755 -3.672 4.861 1.00 0.00 C ATOM 780 CG LYS A 49 5.552 -4.979 4.115 1.00 0.00 C ATOM 781 CD LYS A 49 5.712 -4.795 2.615 1.00 0.00 C ATOM 782 CE LYS A 49 7.022 -5.387 2.117 1.00 0.00 C ATOM 783 NZ LYS A 49 7.218 -5.153 0.660 1.00 0.00 N ATOM 0 H LYS A 49 5.053 -1.130 3.038 1.00 0.00 H new ATOM 0 HA LYS A 49 4.053 -2.985 3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.755 -3.294 4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.707 -3.864 5.933 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.270 -5.717 4.471 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.558 -5.372 4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.878 -5.269 2.098 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.676 -3.733 2.372 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.852 -4.948 2.670 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.036 -6.458 2.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.235 -5.153 0.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.748 -5.908 0.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.808 -4.234 0.398 1.00 0.00 H new ATOM 797 N VAL A 50 2.739 -1.641 5.509 1.00 0.00 N ATOM 798 CA VAL A 50 1.860 -1.242 6.602 1.00 0.00 C ATOM 799 C VAL A 50 0.920 -2.377 6.993 1.00 0.00 C ATOM 800 O VAL A 50 0.619 -3.256 6.186 1.00 0.00 O ATOM 801 CB VAL A 50 1.024 -0.004 6.227 1.00 0.00 C ATOM 802 CG1 VAL A 50 1.910 1.228 6.124 1.00 0.00 C ATOM 803 CG2 VAL A 50 0.275 -0.242 4.924 1.00 0.00 C ATOM 0 H VAL A 50 2.377 -1.432 4.579 1.00 0.00 H new ATOM 0 HA VAL A 50 2.500 -0.996 7.449 1.00 0.00 H new ATOM 0 HB VAL A 50 0.291 0.170 7.015 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.302 2.092 5.858 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.396 1.408 7.083 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.668 1.068 5.357 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.311 0.643 4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.989 -0.442 4.125 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.391 -1.097 5.038 1.00 0.00 H new ATOM 813 N LYS A 51 0.458 -2.352 8.239 1.00 0.00 N ATOM 814 CA LYS A 51 -0.450 -3.377 8.740 1.00 0.00 C ATOM 815 C LYS A 51 -1.900 -3.017 8.433 1.00 0.00 C ATOM 816 O LYS A 51 -2.251 -1.841 8.338 1.00 0.00 O ATOM 817 CB LYS A 51 -0.267 -3.558 10.248 1.00 0.00 C ATOM 818 CG LYS A 51 0.835 -4.537 10.614 1.00 0.00 C ATOM 819 CD LYS A 51 0.927 -4.737 12.118 1.00 0.00 C ATOM 820 CE LYS A 51 1.314 -3.449 12.828 1.00 0.00 C ATOM 821 NZ LYS A 51 1.908 -3.712 14.168 1.00 0.00 N ATOM 0 H LYS A 51 0.698 -1.632 8.921 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.212 -4.314 8.237 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.045 -2.590 10.697 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.206 -3.903 10.681 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.647 -5.495 10.130 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.789 -4.170 10.236 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.031 -5.090 12.499 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.662 -5.511 12.339 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.028 -2.897 12.216 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.433 -2.816 12.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.507 -3.049 14.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.693 -4.687 14.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.939 -3.584 14.122 1.00 0.00 H new ATOM 835 N GLY A 52 -2.739 -4.037 8.280 1.00 0.00 N ATOM 836 CA GLY A 52 -4.142 -3.806 7.987 1.00 0.00 C ATOM 837 C GLY A 52 -4.381 -3.460 6.530 1.00 0.00 C ATOM 838 O GLY A 52 -5.510 -3.182 6.127 1.00 0.00 O ATOM 0 H GLY A 52 -2.473 -5.019 8.354 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.715 -4.697 8.244 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.513 -2.996 8.615 1.00 0.00 H new ATOM 842 N LYS A 53 -3.314 -3.474 5.738 1.00 0.00 N ATOM 843 CA LYS A 53 -3.411 -3.159 4.318 1.00 0.00 C ATOM 844 C LYS A 53 -2.050 -3.278 3.640 1.00 0.00 C ATOM 845 O LYS A 53 -1.443 -2.287 3.234 1.00 0.00 O ATOM 846 CB LYS A 53 -3.968 -1.747 4.124 1.00 0.00 C ATOM 847 CG LYS A 53 -3.335 -0.713 5.039 1.00 0.00 C ATOM 848 CD LYS A 53 -3.771 0.696 4.675 1.00 0.00 C ATOM 849 CE LYS A 53 -3.027 1.739 5.495 1.00 0.00 C ATOM 850 NZ LYS A 53 -3.653 3.086 5.378 1.00 0.00 N ATOM 0 H LYS A 53 -2.372 -3.700 6.056 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.090 -3.877 3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.816 -1.445 3.088 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.044 -1.763 4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.609 -0.924 6.073 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.249 -0.786 4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.592 0.871 3.614 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.844 0.800 4.839 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.012 1.435 6.542 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.990 1.790 5.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.117 3.769 5.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.645 3.387 4.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.635 3.043 5.719 1.00 0.00 H new ATOM 864 N PRO A 54 -1.558 -4.519 3.511 1.00 0.00 N ATOM 865 CA PRO A 54 -0.265 -4.797 2.880 1.00 0.00 C ATOM 866 C PRO A 54 -0.287 -4.545 1.377 1.00 0.00 C ATOM 867 O PRO A 54 -1.337 -4.628 0.739 1.00 0.00 O ATOM 868 CB PRO A 54 -0.040 -6.283 3.170 1.00 0.00 C ATOM 869 CG PRO A 54 -1.408 -6.845 3.351 1.00 0.00 C ATOM 870 CD PRO A 54 -2.228 -5.748 3.972 1.00 0.00 C ATOM 0 HA PRO A 54 0.523 -4.150 3.265 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.483 -6.772 2.348 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.568 -6.424 4.064 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.832 -7.156 2.396 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.386 -7.726 3.992 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.266 -5.787 3.643 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.235 -5.818 5.060 1.00 0.00 H new ATOM 878 N ALA A 55 0.878 -4.237 0.815 1.00 0.00 N ATOM 879 CA ALA A 55 0.991 -3.975 -0.614 1.00 0.00 C ATOM 880 C ALA A 55 0.361 -5.099 -1.430 1.00 0.00 C ATOM 881 O ALA A 55 0.002 -6.144 -0.889 1.00 0.00 O ATOM 882 CB ALA A 55 2.451 -3.793 -1.003 1.00 0.00 C ATOM 0 H ALA A 55 1.756 -4.163 1.328 1.00 0.00 H new ATOM 0 HA ALA A 55 0.450 -3.055 -0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.521 -3.598 -2.073 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.872 -2.952 -0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.007 -4.699 -0.762 1.00 0.00 H new ATOM 888 N GLU A 56 0.230 -4.876 -2.734 1.00 0.00 N ATOM 889 CA GLU A 56 -0.359 -5.871 -3.623 1.00 0.00 C ATOM 890 C GLU A 56 0.695 -6.454 -4.560 1.00 0.00 C ATOM 891 O GLU A 56 1.692 -5.805 -4.871 1.00 0.00 O ATOM 892 CB GLU A 56 -1.495 -5.250 -4.438 1.00 0.00 C ATOM 893 CG GLU A 56 -2.516 -6.262 -4.928 1.00 0.00 C ATOM 894 CD GLU A 56 -3.817 -5.615 -5.362 1.00 0.00 C ATOM 895 OE1 GLU A 56 -3.765 -4.503 -5.929 1.00 0.00 O ATOM 896 OE2 GLU A 56 -4.886 -6.219 -5.136 1.00 0.00 O ATOM 0 H GLU A 56 0.523 -4.016 -3.198 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.761 -6.677 -3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.001 -4.502 -3.828 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.072 -4.728 -5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.096 -6.821 -5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.719 -6.981 -4.134 1.00 0.00 H new ATOM 903 N ASN A 57 0.465 -7.685 -5.006 1.00 0.00 N ATOM 904 CA ASN A 57 1.394 -8.357 -5.907 1.00 0.00 C ATOM 905 C ASN A 57 1.543 -7.582 -7.213 1.00 0.00 C ATOM 906 O ASN A 57 2.603 -7.598 -7.839 1.00 0.00 O ATOM 907 CB ASN A 57 0.915 -9.781 -6.198 1.00 0.00 C ATOM 908 CG ASN A 57 -0.340 -9.806 -7.049 1.00 0.00 C ATOM 909 OD1 ASN A 57 -1.320 -9.124 -6.750 1.00 0.00 O ATOM 910 ND2 ASN A 57 -0.315 -10.597 -8.115 1.00 0.00 N ATOM 0 H ASN A 57 -0.356 -8.237 -4.758 1.00 0.00 H new ATOM 0 HA ASN A 57 2.367 -8.401 -5.418 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.707 -10.331 -6.707 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.723 -10.296 -5.257 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.130 -10.657 -8.725 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.520 -11.145 -8.324 1.00 0.00 H new ATOM 917 N ASP A 58 0.474 -6.905 -7.617 1.00 0.00 N ATOM 918 CA ASP A 58 0.485 -6.122 -8.848 1.00 0.00 C ATOM 919 C ASP A 58 1.669 -5.161 -8.869 1.00 0.00 C ATOM 920 O ASP A 58 2.176 -4.807 -9.934 1.00 0.00 O ATOM 921 CB ASP A 58 -0.823 -5.343 -8.993 1.00 0.00 C ATOM 922 CG ASP A 58 -1.175 -5.068 -10.442 1.00 0.00 C ATOM 923 OD1 ASP A 58 -1.529 -6.027 -11.160 1.00 0.00 O ATOM 924 OD2 ASP A 58 -1.097 -3.893 -10.858 1.00 0.00 O ATOM 0 H ASP A 58 -0.411 -6.882 -7.111 1.00 0.00 H new ATOM 0 HA ASP A 58 0.584 -6.810 -9.687 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.631 -5.906 -8.526 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.741 -4.398 -8.456 1.00 0.00 H new ATOM 929 N VAL A 59 2.106 -4.741 -7.686 1.00 0.00 N ATOM 930 CA VAL A 59 3.231 -3.821 -7.569 1.00 0.00 C ATOM 931 C VAL A 59 4.482 -4.397 -8.222 1.00 0.00 C ATOM 932 O VAL A 59 4.988 -5.441 -7.810 1.00 0.00 O ATOM 933 CB VAL A 59 3.538 -3.495 -6.095 1.00 0.00 C ATOM 934 CG1 VAL A 59 4.699 -2.518 -5.995 1.00 0.00 C ATOM 935 CG2 VAL A 59 2.302 -2.940 -5.403 1.00 0.00 C ATOM 0 H VAL A 59 1.698 -5.023 -6.795 1.00 0.00 H new ATOM 0 HA VAL A 59 2.945 -2.904 -8.084 1.00 0.00 H new ATOM 0 HB VAL A 59 3.826 -4.417 -5.590 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.901 -2.299 -4.946 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.585 -2.958 -6.452 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.444 -1.595 -6.515 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.537 -2.715 -4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.981 -2.029 -5.907 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.501 -3.678 -5.442 1.00 0.00 H new ATOM 945 N LYS A 60 4.979 -3.709 -9.245 1.00 0.00 N ATOM 946 CA LYS A 60 6.173 -4.149 -9.956 1.00 0.00 C ATOM 947 C LYS A 60 6.934 -2.958 -10.530 1.00 0.00 C ATOM 948 O LYS A 60 6.472 -1.819 -10.456 1.00 0.00 O ATOM 949 CB LYS A 60 5.794 -5.115 -11.081 1.00 0.00 C ATOM 950 CG LYS A 60 4.575 -4.678 -11.874 1.00 0.00 C ATOM 951 CD LYS A 60 4.884 -4.568 -13.358 1.00 0.00 C ATOM 952 CE LYS A 60 3.692 -4.980 -14.208 1.00 0.00 C ATOM 953 NZ LYS A 60 3.970 -4.830 -15.663 1.00 0.00 N ATOM 0 H LYS A 60 4.572 -2.844 -9.600 1.00 0.00 H new ATOM 0 HA LYS A 60 6.820 -4.663 -9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.640 -5.219 -11.760 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.605 -6.100 -10.654 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.766 -5.392 -11.722 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.224 -3.715 -11.502 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.165 -3.542 -13.597 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.740 -5.198 -13.600 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.433 -6.017 -13.993 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.827 -4.373 -13.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.133 -5.121 -16.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.192 -3.836 -15.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.779 -5.428 -15.925 1.00 0.00 H new ATOM 967 N LEU A 61 8.103 -3.229 -11.102 1.00 0.00 N ATOM 968 CA LEU A 61 8.928 -2.180 -11.689 1.00 0.00 C ATOM 969 C LEU A 61 8.142 -1.386 -12.727 1.00 0.00 C ATOM 970 O LEU A 61 8.397 -0.201 -12.942 1.00 0.00 O ATOM 971 CB LEU A 61 10.176 -2.786 -12.333 1.00 0.00 C ATOM 972 CG LEU A 61 10.905 -1.904 -13.347 1.00 0.00 C ATOM 973 CD1 LEU A 61 11.394 -0.624 -12.687 1.00 0.00 C ATOM 974 CD2 LEU A 61 12.067 -2.660 -13.975 1.00 0.00 C ATOM 0 H LEU A 61 8.500 -4.166 -11.171 1.00 0.00 H new ATOM 0 HA LEU A 61 9.231 -1.501 -10.892 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.877 -3.050 -11.541 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.890 -3.714 -12.828 1.00 0.00 H new ATOM 0 HG LEU A 61 10.203 -1.636 -14.137 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.910 -0.009 -13.424 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.543 -0.073 -12.287 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.080 -0.871 -11.877 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.574 -2.016 -14.694 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.770 -2.959 -13.197 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.691 -3.547 -14.484 1.00 0.00 H new ATOM 986 N GLY A 62 7.181 -2.046 -13.368 1.00 0.00 N ATOM 987 CA GLY A 62 6.371 -1.385 -14.374 1.00 0.00 C ATOM 988 C GLY A 62 5.119 -0.761 -13.791 1.00 0.00 C ATOM 989 O GLY A 62 4.137 -0.543 -14.500 1.00 0.00 O ATOM 0 H GLY A 62 6.950 -3.026 -13.208 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.964 -0.613 -14.864 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.090 -2.106 -15.142 1.00 0.00 H new ATOM 993 N ALA A 63 5.152 -0.473 -12.494 1.00 0.00 N ATOM 994 CA ALA A 63 4.011 0.131 -11.816 1.00 0.00 C ATOM 995 C ALA A 63 4.430 1.371 -11.034 1.00 0.00 C ATOM 996 O ALA A 63 3.701 2.363 -10.987 1.00 0.00 O ATOM 997 CB ALA A 63 3.352 -0.881 -10.890 1.00 0.00 C ATOM 0 H ALA A 63 5.956 -0.648 -11.892 1.00 0.00 H new ATOM 0 HA ALA A 63 3.290 0.438 -12.574 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.502 -0.417 -10.390 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.009 -1.737 -11.472 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.073 -1.215 -10.144 1.00 0.00 H new ATOM 1003 N LEU A 64 5.608 1.309 -10.422 1.00 0.00 N ATOM 1004 CA LEU A 64 6.124 2.429 -9.642 1.00 0.00 C ATOM 1005 C LEU A 64 7.219 3.166 -10.405 1.00 0.00 C ATOM 1006 O LEU A 64 7.233 4.396 -10.459 1.00 0.00 O ATOM 1007 CB LEU A 64 6.667 1.933 -8.300 1.00 0.00 C ATOM 1008 CG LEU A 64 5.834 0.863 -7.593 1.00 0.00 C ATOM 1009 CD1 LEU A 64 6.546 -0.480 -7.631 1.00 0.00 C ATOM 1010 CD2 LEU A 64 5.546 1.275 -6.156 1.00 0.00 C ATOM 0 H LEU A 64 6.223 0.496 -10.451 1.00 0.00 H new ATOM 0 HA LEU A 64 5.303 3.123 -9.462 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.670 1.537 -8.461 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.765 2.789 -7.632 1.00 0.00 H new ATOM 0 HG LEU A 64 4.885 0.763 -8.119 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.938 -1.229 -7.123 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.701 -0.781 -8.667 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.510 -0.395 -7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.952 0.502 -5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.486 1.404 -5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.993 2.214 -6.151 1.00 0.00 H new ATOM 1022 N LYS A 65 8.134 2.407 -10.998 1.00 0.00 N ATOM 1023 CA LYS A 65 9.232 2.987 -11.762 1.00 0.00 C ATOM 1024 C LYS A 65 10.085 3.897 -10.885 1.00 0.00 C ATOM 1025 O LYS A 65 10.623 4.901 -11.353 1.00 0.00 O ATOM 1026 CB LYS A 65 8.688 3.774 -12.957 1.00 0.00 C ATOM 1027 CG LYS A 65 7.885 2.927 -13.929 1.00 0.00 C ATOM 1028 CD LYS A 65 6.391 3.080 -13.699 1.00 0.00 C ATOM 1029 CE LYS A 65 5.912 4.478 -14.057 1.00 0.00 C ATOM 1030 NZ LYS A 65 4.462 4.498 -14.394 1.00 0.00 N ATOM 0 H LYS A 65 8.137 1.388 -10.964 1.00 0.00 H new ATOM 0 HA LYS A 65 9.859 2.173 -12.126 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.060 4.586 -12.591 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.522 4.232 -13.490 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.128 3.216 -14.952 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.166 1.880 -13.818 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.853 2.345 -14.298 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.159 2.871 -12.655 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.100 5.151 -13.221 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.487 4.853 -14.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.174 5.469 -14.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.286 3.875 -15.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.911 4.164 -13.577 1.00 0.00 H new ATOM 1044 N LEU A 66 10.205 3.541 -9.611 1.00 0.00 N ATOM 1045 CA LEU A 66 10.994 4.325 -8.668 1.00 0.00 C ATOM 1046 C LEU A 66 12.416 3.783 -8.564 1.00 0.00 C ATOM 1047 O LEU A 66 12.767 2.802 -9.220 1.00 0.00 O ATOM 1048 CB LEU A 66 10.332 4.319 -7.289 1.00 0.00 C ATOM 1049 CG LEU A 66 9.336 5.447 -7.018 1.00 0.00 C ATOM 1050 CD1 LEU A 66 8.227 4.969 -6.093 1.00 0.00 C ATOM 1051 CD2 LEU A 66 10.046 6.654 -6.423 1.00 0.00 C ATOM 0 H LEU A 66 9.766 2.714 -9.207 1.00 0.00 H new ATOM 0 HA LEU A 66 11.042 5.350 -9.037 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.817 3.367 -7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.115 4.363 -6.532 1.00 0.00 H new ATOM 0 HG LEU A 66 8.887 5.745 -7.966 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.528 5.785 -5.911 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.700 4.136 -6.558 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.658 4.643 -5.146 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.322 7.447 -6.237 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.522 6.370 -5.485 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.803 7.011 -7.121 1.00 0.00 H new ATOM 1063 N LYS A 67 13.230 4.426 -7.734 1.00 0.00 N ATOM 1064 CA LYS A 67 14.613 4.007 -7.541 1.00 0.00 C ATOM 1065 C LYS A 67 14.838 3.516 -6.114 1.00 0.00 C ATOM 1066 O LYS A 67 14.125 3.891 -5.183 1.00 0.00 O ATOM 1067 CB LYS A 67 15.566 5.164 -7.849 1.00 0.00 C ATOM 1068 CG LYS A 67 15.521 6.280 -6.820 1.00 0.00 C ATOM 1069 CD LYS A 67 16.534 7.369 -7.134 1.00 0.00 C ATOM 1070 CE LYS A 67 16.206 8.075 -8.440 1.00 0.00 C ATOM 1071 NZ LYS A 67 16.918 9.378 -8.561 1.00 0.00 N ATOM 0 H LYS A 67 12.956 5.240 -7.184 1.00 0.00 H new ATOM 0 HA LYS A 67 14.816 3.184 -8.227 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.584 4.779 -7.910 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.321 5.574 -8.829 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.520 6.710 -6.792 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.720 5.871 -5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.553 8.095 -6.321 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.531 6.933 -7.195 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.478 7.433 -9.278 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.131 8.242 -8.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.668 9.828 -9.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.639 10.000 -7.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.945 9.217 -8.527 1.00 0.00 H new ATOM 1085 N PRO A 68 15.854 2.658 -5.936 1.00 0.00 N ATOM 1086 CA PRO A 68 16.197 2.099 -4.625 1.00 0.00 C ATOM 1087 C PRO A 68 16.788 3.144 -3.686 1.00 0.00 C ATOM 1088 O PRO A 68 16.978 2.888 -2.498 1.00 0.00 O ATOM 1089 CB PRO A 68 17.240 1.029 -4.958 1.00 0.00 C ATOM 1090 CG PRO A 68 17.845 1.477 -6.244 1.00 0.00 C ATOM 1091 CD PRO A 68 16.745 2.167 -7.001 1.00 0.00 C ATOM 0 HA PRO A 68 15.321 1.713 -4.105 1.00 0.00 H new ATOM 0 HB2 PRO A 68 17.992 0.951 -4.173 1.00 0.00 H new ATOM 0 HB3 PRO A 68 16.780 0.046 -5.058 1.00 0.00 H new ATOM 0 HG2 PRO A 68 18.681 2.154 -6.067 1.00 0.00 H new ATOM 0 HG3 PRO A 68 18.235 0.630 -6.808 1.00 0.00 H new ATOM 0 HD2 PRO A 68 17.129 2.984 -7.612 1.00 0.00 H new ATOM 0 HD3 PRO A 68 16.228 1.482 -7.673 1.00 0.00 H new ATOM 1099 N ASN A 69 17.075 4.324 -4.227 1.00 0.00 N ATOM 1100 CA ASN A 69 17.644 5.409 -3.436 1.00 0.00 C ATOM 1101 C ASN A 69 16.731 5.767 -2.267 1.00 0.00 C ATOM 1102 O ASN A 69 17.183 6.297 -1.251 1.00 0.00 O ATOM 1103 CB ASN A 69 17.874 6.641 -4.313 1.00 0.00 C ATOM 1104 CG ASN A 69 18.957 7.549 -3.762 1.00 0.00 C ATOM 1105 OD1 ASN A 69 19.697 7.171 -2.854 1.00 0.00 O ATOM 1106 ND2 ASN A 69 19.054 8.755 -4.311 1.00 0.00 N ATOM 0 H ASN A 69 16.923 4.553 -5.209 1.00 0.00 H new ATOM 0 HA ASN A 69 18.600 5.071 -3.037 1.00 0.00 H new ATOM 0 HB2 ASN A 69 18.148 6.322 -5.319 1.00 0.00 H new ATOM 0 HB3 ASN A 69 16.943 7.201 -4.399 1.00 0.00 H new ATOM 0 HD21 ASN A 69 19.763 9.410 -3.982 1.00 0.00 H new ATOM 0 HD22 ASN A 69 18.419 9.026 -5.062 1.00 0.00 H new ATOM 1113 N THR A 70 15.443 5.474 -2.417 1.00 0.00 N ATOM 1114 CA THR A 70 14.467 5.764 -1.375 1.00 0.00 C ATOM 1115 C THR A 70 14.933 5.239 -0.022 1.00 0.00 C ATOM 1116 O THR A 70 14.845 5.935 0.990 1.00 0.00 O ATOM 1117 CB THR A 70 13.093 5.150 -1.705 1.00 0.00 C ATOM 1118 OG1 THR A 70 13.212 4.252 -2.814 1.00 0.00 O ATOM 1119 CG2 THR A 70 12.079 6.236 -2.033 1.00 0.00 C ATOM 0 H THR A 70 15.052 5.036 -3.251 1.00 0.00 H new ATOM 0 HA THR A 70 14.370 6.849 -1.327 1.00 0.00 H new ATOM 0 HB THR A 70 12.745 4.602 -0.829 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.356 4.765 -3.636 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.117 5.778 -2.263 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.969 6.902 -1.177 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.424 6.807 -2.895 1.00 0.00 H new ATOM 1127 N LYS A 71 15.431 4.007 -0.010 1.00 0.00 N ATOM 1128 CA LYS A 71 15.914 3.388 1.218 1.00 0.00 C ATOM 1129 C LYS A 71 14.766 3.148 2.194 1.00 0.00 C ATOM 1130 O LYS A 71 13.858 3.971 2.313 1.00 0.00 O ATOM 1131 CB LYS A 71 16.978 4.271 1.874 1.00 0.00 C ATOM 1132 CG LYS A 71 16.511 4.936 3.157 1.00 0.00 C ATOM 1133 CD LYS A 71 17.449 6.055 3.578 1.00 0.00 C ATOM 1134 CE LYS A 71 18.430 5.588 4.643 1.00 0.00 C ATOM 1135 NZ LYS A 71 17.858 5.706 6.013 1.00 0.00 N ATOM 0 H LYS A 71 15.511 3.417 -0.838 1.00 0.00 H new ATOM 0 HA LYS A 71 16.357 2.426 0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 71 17.859 3.666 2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 71 17.285 5.041 1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.507 5.335 3.016 1.00 0.00 H new ATOM 0 HG3 LYS A 71 16.450 4.193 3.952 1.00 0.00 H new ATOM 0 HD2 LYS A 71 17.999 6.417 2.709 1.00 0.00 H new ATOM 0 HD3 LYS A 71 16.868 6.894 3.960 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.706 4.551 4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 71 19.344 6.178 4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 18.494 6.276 6.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 16.927 6.167 5.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 17.753 4.758 6.428 1.00 0.00 H new ATOM 1149 N ILE A 72 14.815 2.017 2.890 1.00 0.00 N ATOM 1150 CA ILE A 72 13.780 1.671 3.857 1.00 0.00 C ATOM 1151 C ILE A 72 14.392 1.254 5.191 1.00 0.00 C ATOM 1152 O ILE A 72 15.462 0.648 5.231 1.00 0.00 O ATOM 1153 CB ILE A 72 12.883 0.533 3.338 1.00 0.00 C ATOM 1154 CG1 ILE A 72 11.823 0.173 4.381 1.00 0.00 C ATOM 1155 CG2 ILE A 72 13.723 -0.686 2.987 1.00 0.00 C ATOM 1156 CD1 ILE A 72 12.234 -0.961 5.294 1.00 0.00 C ATOM 0 H ILE A 72 15.559 1.325 2.803 1.00 0.00 H new ATOM 0 HA ILE A 72 13.172 2.564 4.002 1.00 0.00 H new ATOM 0 HB ILE A 72 12.376 0.873 2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.605 1.054 4.985 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.900 -0.099 3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.074 -1.482 2.622 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.443 -0.421 2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 72 14.254 -1.030 3.875 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.435 -1.162 6.007 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.424 -1.855 4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 72 13.140 -0.684 5.833 1.00 0.00 H new ATOM 1168 N MET A 73 13.703 1.582 6.279 1.00 0.00 N ATOM 1169 CA MET A 73 14.177 1.238 7.615 1.00 0.00 C ATOM 1170 C MET A 73 13.168 0.351 8.338 1.00 0.00 C ATOM 1171 O MET A 73 11.973 0.644 8.358 1.00 0.00 O ATOM 1172 CB MET A 73 14.435 2.507 8.430 1.00 0.00 C ATOM 1173 CG MET A 73 15.486 3.419 7.817 1.00 0.00 C ATOM 1174 SD MET A 73 17.168 2.889 8.190 1.00 0.00 S ATOM 1175 CE MET A 73 17.711 4.215 9.265 1.00 0.00 C ATOM 0 H MET A 73 12.816 2.085 6.262 1.00 0.00 H new ATOM 0 HA MET A 73 15.111 0.685 7.511 1.00 0.00 H new ATOM 0 HB2 MET A 73 13.501 3.060 8.532 1.00 0.00 H new ATOM 0 HB3 MET A 73 14.751 2.226 9.435 1.00 0.00 H new ATOM 0 HG2 MET A 73 15.350 3.449 6.736 1.00 0.00 H new ATOM 0 HG3 MET A 73 15.339 4.435 8.185 1.00 0.00 H new ATOM 0 HE1 MET A 73 18.738 4.030 9.581 1.00 0.00 H new ATOM 0 HE2 MET A 73 17.662 5.162 8.728 1.00 0.00 H new ATOM 0 HE3 MET A 73 17.064 4.261 10.141 1.00 0.00 H new ATOM 1185 N MET A 74 13.658 -0.733 8.930 1.00 0.00 N ATOM 1186 CA MET A 74 12.798 -1.661 9.656 1.00 0.00 C ATOM 1187 C MET A 74 12.814 -1.362 11.151 1.00 0.00 C ATOM 1188 O MET A 74 13.878 -1.273 11.764 1.00 0.00 O ATOM 1189 CB MET A 74 13.244 -3.103 9.407 1.00 0.00 C ATOM 1190 CG MET A 74 12.114 -4.115 9.509 1.00 0.00 C ATOM 1191 SD MET A 74 12.307 -5.489 8.358 1.00 0.00 S ATOM 1192 CE MET A 74 10.719 -5.463 7.530 1.00 0.00 C ATOM 0 H MET A 74 14.645 -0.991 8.922 1.00 0.00 H new ATOM 0 HA MET A 74 11.779 -1.535 9.290 1.00 0.00 H new ATOM 0 HB2 MET A 74 13.692 -3.170 8.416 1.00 0.00 H new ATOM 0 HB3 MET A 74 14.020 -3.364 10.126 1.00 0.00 H new ATOM 0 HG2 MET A 74 12.069 -4.502 10.527 1.00 0.00 H new ATOM 0 HG3 MET A 74 11.165 -3.615 9.316 1.00 0.00 H new ATOM 0 HE1 MET A 74 10.782 -6.035 6.604 1.00 0.00 H new ATOM 0 HE2 MET A 74 9.963 -5.905 8.179 1.00 0.00 H new ATOM 0 HE3 MET A 74 10.444 -4.433 7.302 1.00 0.00 H new ATOM 1202 N MET A 75 11.629 -1.207 11.732 1.00 0.00 N ATOM 1203 CA MET A 75 11.508 -0.919 13.157 1.00 0.00 C ATOM 1204 C MET A 75 10.422 -1.778 13.795 1.00 0.00 C ATOM 1205 O MET A 75 9.436 -2.130 13.150 1.00 0.00 O ATOM 1206 CB MET A 75 11.197 0.563 13.374 1.00 0.00 C ATOM 1207 CG MET A 75 10.867 0.909 14.817 1.00 0.00 C ATOM 1208 SD MET A 75 11.400 2.571 15.272 1.00 0.00 S ATOM 1209 CE MET A 75 13.139 2.292 15.597 1.00 0.00 C ATOM 0 H MET A 75 10.739 -1.276 11.239 1.00 0.00 H new ATOM 0 HA MET A 75 12.459 -1.157 13.633 1.00 0.00 H new ATOM 0 HB2 MET A 75 12.053 1.156 13.053 1.00 0.00 H new ATOM 0 HB3 MET A 75 10.357 0.846 12.740 1.00 0.00 H new ATOM 0 HG2 MET A 75 9.791 0.822 14.971 1.00 0.00 H new ATOM 0 HG3 MET A 75 11.343 0.185 15.478 1.00 0.00 H new ATOM 0 HE1 MET A 75 13.609 3.230 15.891 1.00 0.00 H new ATOM 0 HE2 MET A 75 13.247 1.564 16.401 1.00 0.00 H new ATOM 0 HE3 MET A 75 13.621 1.911 14.697 1.00 0.00 H new ATOM 1219 N GLY A 76 10.610 -2.113 15.068 1.00 0.00 N ATOM 1220 CA GLY A 76 9.638 -2.928 15.772 1.00 0.00 C ATOM 1221 C GLY A 76 9.303 -4.205 15.026 1.00 0.00 C ATOM 1222 O GLY A 76 8.175 -4.696 15.095 1.00 0.00 O ATOM 0 H GLY A 76 11.418 -1.834 15.624 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.026 -3.179 16.759 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.726 -2.350 15.925 1.00 0.00 H new ATOM 1226 N THR A 77 10.284 -4.744 14.310 1.00 0.00 N ATOM 1227 CA THR A 77 10.087 -5.970 13.545 1.00 0.00 C ATOM 1228 C THR A 77 11.000 -7.083 14.046 1.00 0.00 C ATOM 1229 O THR A 77 10.614 -8.251 14.070 1.00 0.00 O ATOM 1230 CB THR A 77 10.349 -5.743 12.044 1.00 0.00 C ATOM 1231 OG1 THR A 77 10.096 -4.376 11.704 1.00 0.00 O ATOM 1232 CG2 THR A 77 9.470 -6.652 11.199 1.00 0.00 C ATOM 0 H THR A 77 11.223 -4.351 14.243 1.00 0.00 H new ATOM 0 HA THR A 77 9.047 -6.266 13.684 1.00 0.00 H new ATOM 0 HB THR A 77 11.393 -5.980 11.839 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.647 -4.333 10.834 1.00 0.00 H new ATOM 0 HG21 THR A 77 9.672 -6.474 10.143 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.686 -7.693 11.440 1.00 0.00 H new ATOM 0 HG23 THR A 77 8.421 -6.441 11.408 1.00 0.00 H new ATOM 1240 N ARG A 78 12.212 -6.713 14.447 1.00 0.00 N ATOM 1241 CA ARG A 78 13.180 -7.681 14.947 1.00 0.00 C ATOM 1242 C ARG A 78 14.034 -7.073 16.056 1.00 0.00 C ATOM 1243 O ARG A 78 14.484 -5.932 15.951 1.00 0.00 O ATOM 1244 CB ARG A 78 14.078 -8.171 13.809 1.00 0.00 C ATOM 1245 CG ARG A 78 14.650 -9.560 14.041 1.00 0.00 C ATOM 1246 CD ARG A 78 13.710 -10.642 13.532 1.00 0.00 C ATOM 1247 NE ARG A 78 14.433 -11.831 13.090 1.00 0.00 N ATOM 1248 CZ ARG A 78 15.160 -11.879 11.979 1.00 0.00 C ATOM 1249 NH1 ARG A 78 15.262 -10.809 11.203 1.00 0.00 N ATOM 1250 NH2 ARG A 78 15.789 -12.998 11.644 1.00 0.00 N ATOM 0 H ARG A 78 12.547 -5.750 14.435 1.00 0.00 H new ATOM 0 HA ARG A 78 12.630 -8.528 15.358 1.00 0.00 H new ATOM 0 HB2 ARG A 78 13.506 -8.173 12.881 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.899 -7.466 13.676 1.00 0.00 H new ATOM 0 HG2 ARG A 78 15.613 -9.647 13.538 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.832 -9.706 15.106 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.011 -10.916 14.322 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.119 -10.249 12.705 1.00 0.00 H new ATOM 0 HE ARG A 78 14.377 -12.671 13.666 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.782 -9.946 11.458 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.821 -10.849 10.351 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.715 -13.823 12.240 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.347 -13.034 10.791 1.00 0.00 H new ATOM 1264 N GLU A 79 14.251 -7.843 17.118 1.00 0.00 N ATOM 1265 CA GLU A 79 15.049 -7.378 18.247 1.00 0.00 C ATOM 1266 C GLU A 79 16.480 -7.899 18.152 1.00 0.00 C ATOM 1267 O GLU A 79 17.399 -7.326 18.737 1.00 0.00 O ATOM 1268 CB GLU A 79 14.417 -7.828 19.566 1.00 0.00 C ATOM 1269 CG GLU A 79 15.174 -7.356 20.796 1.00 0.00 C ATOM 1270 CD GLU A 79 14.346 -7.449 22.062 1.00 0.00 C ATOM 1271 OE1 GLU A 79 13.133 -7.160 22.002 1.00 0.00 O ATOM 1272 OE2 GLU A 79 14.912 -7.813 23.115 1.00 0.00 O ATOM 0 H GLU A 79 13.886 -8.790 17.220 1.00 0.00 H new ATOM 0 HA GLU A 79 15.074 -6.289 18.218 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.394 -7.456 19.614 1.00 0.00 H new ATOM 0 HB3 GLU A 79 14.361 -8.916 19.580 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.078 -7.954 20.913 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.491 -6.324 20.649 1.00 0.00 H new ATOM 1279 N GLU A 80 16.659 -8.989 17.412 1.00 0.00 N ATOM 1280 CA GLU A 80 17.978 -9.588 17.242 1.00 0.00 C ATOM 1281 C GLU A 80 18.917 -8.636 16.506 1.00 0.00 C ATOM 1282 O GLU A 80 18.942 -8.600 15.276 1.00 0.00 O ATOM 1283 CB GLU A 80 17.868 -10.908 16.476 1.00 0.00 C ATOM 1284 CG GLU A 80 17.593 -12.107 17.367 1.00 0.00 C ATOM 1285 CD GLU A 80 16.111 -12.368 17.554 1.00 0.00 C ATOM 1286 OE1 GLU A 80 15.442 -11.541 18.209 1.00 0.00 O ATOM 1287 OE2 GLU A 80 15.620 -13.397 17.046 1.00 0.00 O ATOM 0 H GLU A 80 15.908 -9.475 16.921 1.00 0.00 H new ATOM 0 HA GLU A 80 18.390 -9.784 18.232 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.071 -10.824 15.737 1.00 0.00 H new ATOM 0 HB3 GLU A 80 18.794 -11.078 15.927 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.062 -12.991 16.935 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.055 -11.945 18.341 1.00 0.00 H new ATOM 1294 N SER A 81 19.687 -7.867 17.268 1.00 0.00 N ATOM 1295 CA SER A 81 20.625 -6.911 16.689 1.00 0.00 C ATOM 1296 C SER A 81 21.862 -7.623 16.150 1.00 0.00 C ATOM 1297 O SER A 81 22.158 -8.752 16.536 1.00 0.00 O ATOM 1298 CB SER A 81 21.035 -5.871 17.733 1.00 0.00 C ATOM 1299 OG SER A 81 22.200 -5.173 17.327 1.00 0.00 O ATOM 0 H SER A 81 19.680 -7.887 18.288 1.00 0.00 H new ATOM 0 HA SER A 81 20.128 -6.407 15.861 1.00 0.00 H new ATOM 0 HB2 SER A 81 20.219 -5.165 17.887 1.00 0.00 H new ATOM 0 HB3 SER A 81 21.216 -6.362 18.689 1.00 0.00 H new ATOM 0 HG SER A 81 22.441 -4.513 18.010 1.00 0.00 H new TER 1305 SER A 81