USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 952 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 68 GLN : amide:sc= 0.366 K(o=0.76,f=-0.12) USER MOD Set 1.2: A 95 SER OG : rot 138:sc= 0.392 USER MOD Set 2.1: A 59 THR OG1 : rot 3:sc= -0.16 USER MOD Set 2.2: A 90 SER OG : rot -61:sc= 0.896 USER MOD Set 3.1: A 26 LYS NZ :NH3+ -142:sc= 0.112 (180deg=-0.683) USER MOD Set 3.2: A 39 GLN : amide:sc= 0 X(o=0.11,f=0.1) USER MOD Single : A 4 TYR OH : rot 165:sc= -0.0574 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.5 X(o=-0.5,f=-0.75) USER MOD Single : A 16 THR OG1 : rot -92:sc= 0.608 USER MOD Single : A 17 THR OG1 : rot 82:sc= 0.989 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0296 K(o=-0.03,f=-0.76) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.731 K(o=-0.73,f=-0.21) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 7:sc= -0.897 USER MOD Single : A 61 HIS : no HE2:sc= -0.106 K(o=-0.11,f=-1.6) USER MOD Single : A 62 TYR OH : rot 0:sc= -1.52! USER MOD Single : A 64 THR OG1 : rot 66:sc= -0.115 USER MOD Single : A 69 THR OG1 : rot 87:sc= 0.0438 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0521) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0.35) USER MOD Single : A 111 ASN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 115 TYR OH : rot 180:sc= -0.318 USER MOD Single : A 116 CYS SG : rot 5:sc= -3.53! USER MOD Single : A 119 LYS NZ :NH3+ -145:sc= -0.0134 (180deg=-1.13) USER MOD Single : A 120 MET CE :methyl -172:sc= 0 (180deg=-0.0653) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 4 -9.010 -19.013 -13.200 1.00 0.00 N ATOM 2 CA TYR A 4 -9.472 -17.619 -13.239 1.00 0.00 C ATOM 3 C TYR A 4 -9.039 -16.869 -11.981 1.00 0.00 C ATOM 4 O TYR A 4 -9.356 -17.245 -10.850 1.00 0.00 O ATOM 5 CB TYR A 4 -10.990 -17.593 -13.436 1.00 0.00 C ATOM 6 CG TYR A 4 -11.500 -16.307 -14.070 1.00 0.00 C ATOM 7 CD1 TYR A 4 -11.143 -15.984 -15.345 1.00 0.00 C ATOM 8 CD2 TYR A 4 -12.372 -15.509 -13.397 1.00 0.00 C ATOM 9 CE1 TYR A 4 -11.650 -14.875 -15.939 1.00 0.00 C ATOM 10 CE2 TYR A 4 -12.892 -14.409 -13.998 1.00 0.00 C ATOM 11 CZ TYR A 4 -12.531 -14.089 -15.268 1.00 0.00 C ATOM 12 OH TYR A 4 -13.058 -12.979 -15.878 1.00 0.00 O ATOM 0 HA TYR A 4 -9.012 -17.104 -14.082 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -11.281 -18.437 -14.061 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -11.476 -17.729 -12.470 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -10.453 -16.615 -15.885 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -12.651 -15.751 -12.382 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -11.353 -14.617 -16.945 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -13.595 -13.786 -13.465 1.00 0.00 H new ATOM 0 HH TYR A 4 -13.836 -12.666 -15.371 1.00 0.00 H new ATOM 22 N LYS A 5 -8.265 -15.816 -12.204 1.00 0.00 N ATOM 23 CA LYS A 5 -7.590 -15.121 -11.107 1.00 0.00 C ATOM 24 C LYS A 5 -8.440 -13.961 -10.582 1.00 0.00 C ATOM 25 O LYS A 5 -9.088 -13.226 -11.324 1.00 0.00 O ATOM 26 CB LYS A 5 -6.248 -14.599 -11.642 1.00 0.00 C ATOM 27 CG LYS A 5 -5.228 -15.726 -11.839 1.00 0.00 C ATOM 28 CD LYS A 5 -3.889 -15.185 -12.342 1.00 0.00 C ATOM 29 CE LYS A 5 -2.877 -16.315 -12.536 1.00 0.00 C ATOM 30 NZ LYS A 5 -1.598 -15.776 -13.026 1.00 0.00 N ATOM 0 H LYS A 5 -8.087 -15.423 -13.128 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.433 -15.807 -10.275 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.411 -14.088 -12.591 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.844 -13.862 -10.948 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.078 -16.252 -10.896 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.619 -16.453 -12.551 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.037 -14.659 -13.285 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.496 -14.459 -11.630 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.721 -16.839 -11.593 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.268 -17.045 -13.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.920 -16.554 -13.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.749 -15.296 -13.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.220 -15.097 -12.335 1.00 0.00 H new ATOM 44 N THR A 6 -8.388 -13.801 -9.266 1.00 0.00 N ATOM 45 CA THR A 6 -9.033 -12.667 -8.585 1.00 0.00 C ATOM 46 C THR A 6 -7.931 -11.690 -8.177 1.00 0.00 C ATOM 47 O THR A 6 -6.990 -12.057 -7.473 1.00 0.00 O ATOM 48 CB THR A 6 -9.836 -13.119 -7.358 1.00 0.00 C ATOM 49 OG1 THR A 6 -10.204 -11.988 -6.578 1.00 0.00 O ATOM 50 CG2 THR A 6 -9.066 -14.095 -6.475 1.00 0.00 C ATOM 0 H THR A 6 -7.904 -14.443 -8.638 1.00 0.00 H new ATOM 0 HA THR A 6 -9.744 -12.191 -9.260 1.00 0.00 H new ATOM 0 HB THR A 6 -10.719 -13.635 -7.734 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.718 -12.282 -5.797 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.683 -14.380 -5.623 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.811 -14.984 -7.052 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.152 -13.620 -6.118 1.00 0.00 H new ATOM 58 N GLY A 7 -8.009 -10.459 -8.667 1.00 0.00 N ATOM 59 CA GLY A 7 -6.980 -9.481 -8.291 1.00 0.00 C ATOM 60 C GLY A 7 -7.544 -8.138 -7.833 1.00 0.00 C ATOM 61 O GLY A 7 -8.683 -8.021 -7.382 1.00 0.00 O ATOM 0 H GLY A 7 -8.735 -10.118 -9.297 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.369 -9.900 -7.491 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.320 -9.316 -9.143 1.00 0.00 H new ATOM 65 N LEU A 8 -6.668 -7.141 -7.871 1.00 0.00 N ATOM 66 CA LEU A 8 -6.937 -5.854 -7.220 1.00 0.00 C ATOM 67 C LEU A 8 -6.574 -4.732 -8.187 1.00 0.00 C ATOM 68 O LEU A 8 -5.547 -4.774 -8.864 1.00 0.00 O ATOM 69 CB LEU A 8 -6.000 -5.793 -5.995 1.00 0.00 C ATOM 70 CG LEU A 8 -6.061 -4.491 -5.182 1.00 0.00 C ATOM 71 CD1 LEU A 8 -7.475 -4.139 -4.711 1.00 0.00 C ATOM 72 CD2 LEU A 8 -5.125 -4.592 -3.975 1.00 0.00 C ATOM 0 H LEU A 8 -5.766 -7.194 -8.343 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.983 -5.750 -6.931 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.240 -6.626 -5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.975 -5.941 -6.335 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.742 -3.689 -5.847 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.448 -3.209 -4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.127 -4.017 -5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.858 -4.940 -4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.171 -3.667 -3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.433 -5.426 -3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.104 -4.755 -4.319 1.00 0.00 H new ATOM 84 N LEU A 9 -7.409 -3.701 -8.220 1.00 0.00 N ATOM 85 CA LEU A 9 -7.133 -2.519 -9.008 1.00 0.00 C ATOM 86 C LEU A 9 -7.178 -1.263 -8.125 1.00 0.00 C ATOM 87 O LEU A 9 -8.234 -0.861 -7.635 1.00 0.00 O ATOM 88 CB LEU A 9 -8.045 -2.544 -10.221 1.00 0.00 C ATOM 89 CG LEU A 9 -8.064 -1.189 -10.903 1.00 0.00 C ATOM 90 CD1 LEU A 9 -6.668 -0.865 -11.411 1.00 0.00 C ATOM 91 CD2 LEU A 9 -9.035 -1.304 -12.042 1.00 0.00 C ATOM 0 H LEU A 9 -8.288 -3.666 -7.704 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.118 -2.500 -9.404 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.705 -3.306 -10.923 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.055 -2.819 -9.918 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.363 -0.391 -10.224 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.676 0.108 -11.902 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.972 -0.842 -10.573 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.354 -1.628 -12.123 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.089 -0.353 -12.571 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.701 -2.082 -12.728 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.021 -1.561 -11.655 1.00 0.00 H new ATOM 103 N LEU A 10 -6.013 -0.666 -7.923 1.00 0.00 N ATOM 104 CA LEU A 10 -5.958 0.652 -7.264 1.00 0.00 C ATOM 105 C LEU A 10 -5.824 1.738 -8.333 1.00 0.00 C ATOM 106 O LEU A 10 -4.883 1.752 -9.124 1.00 0.00 O ATOM 107 CB LEU A 10 -4.821 0.815 -6.233 1.00 0.00 C ATOM 108 CG LEU A 10 -5.201 0.374 -4.815 1.00 0.00 C ATOM 109 CD1 LEU A 10 -5.375 -1.141 -4.725 1.00 0.00 C ATOM 110 CD2 LEU A 10 -4.133 0.829 -3.821 1.00 0.00 C ATOM 0 H LEU A 10 -5.109 -1.052 -8.194 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.886 0.744 -6.700 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.958 0.237 -6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.514 1.860 -6.208 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.155 0.839 -4.568 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.644 -1.416 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.164 -1.458 -5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.441 -1.631 -4.999 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.412 0.511 -2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.174 0.385 -4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.050 1.916 -3.848 1.00 0.00 H new ATOM 122 N ILE A 11 -6.795 2.643 -8.367 1.00 0.00 N ATOM 123 CA ILE A 11 -6.784 3.725 -9.367 1.00 0.00 C ATOM 124 C ILE A 11 -6.831 5.083 -8.667 1.00 0.00 C ATOM 125 O ILE A 11 -7.585 5.285 -7.716 1.00 0.00 O ATOM 126 CB ILE A 11 -7.972 3.586 -10.347 1.00 0.00 C ATOM 127 CG1 ILE A 11 -9.317 3.299 -9.649 1.00 0.00 C ATOM 128 CG2 ILE A 11 -7.642 2.508 -11.377 1.00 0.00 C ATOM 129 CD1 ILE A 11 -10.467 3.078 -10.632 1.00 0.00 C ATOM 0 H ILE A 11 -7.591 2.658 -7.729 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.861 3.652 -9.942 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.107 4.548 -10.841 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.211 2.416 -9.018 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.564 4.133 -8.992 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.474 2.403 -12.073 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.744 2.792 -11.926 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.472 1.559 -10.869 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.385 2.881 -10.079 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.597 3.969 -11.246 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.239 2.226 -11.273 1.00 0.00 H new ATOM 141 N HIS A 12 -6.066 6.048 -9.175 1.00 0.00 N ATOM 142 CA HIS A 12 -6.211 7.424 -8.691 1.00 0.00 C ATOM 143 C HIS A 12 -7.256 8.128 -9.584 1.00 0.00 C ATOM 144 O HIS A 12 -7.138 8.070 -10.809 1.00 0.00 O ATOM 145 CB HIS A 12 -4.837 8.102 -8.763 1.00 0.00 C ATOM 146 CG HIS A 12 -4.821 9.622 -8.671 1.00 0.00 C ATOM 147 ND1 HIS A 12 -5.477 10.383 -7.712 1.00 0.00 N ATOM 148 CD2 HIS A 12 -4.174 10.446 -9.607 1.00 0.00 C ATOM 149 CE1 HIS A 12 -5.152 11.631 -8.187 1.00 0.00 C ATOM 150 NE2 HIS A 12 -4.364 11.772 -9.294 1.00 0.00 N ATOM 0 H HIS A 12 -5.360 5.913 -9.899 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.555 7.468 -7.658 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.219 7.705 -7.958 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -4.363 7.812 -9.701 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -3.607 10.088 -10.454 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.523 12.509 -7.680 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -4.018 12.614 -9.754 1.00 0.00 H new ATOM 158 N PRO A 13 -8.273 8.794 -9.022 1.00 0.00 N ATOM 159 CA PRO A 13 -9.411 9.303 -9.809 1.00 0.00 C ATOM 160 C PRO A 13 -9.183 10.288 -10.963 1.00 0.00 C ATOM 161 O PRO A 13 -10.141 10.620 -11.662 1.00 0.00 O ATOM 162 CB PRO A 13 -10.184 10.047 -8.728 1.00 0.00 C ATOM 163 CG PRO A 13 -10.024 9.172 -7.494 1.00 0.00 C ATOM 164 CD PRO A 13 -8.572 8.710 -7.582 1.00 0.00 C ATOM 0 HA PRO A 13 -9.855 8.459 -10.337 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.780 11.046 -8.564 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.233 10.168 -8.999 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.215 9.730 -6.577 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.716 8.330 -7.505 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.911 9.349 -6.997 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.450 7.695 -7.205 1.00 0.00 H new ATOM 172 N ALA A 14 -7.993 10.853 -11.117 1.00 0.00 N ATOM 173 CA ALA A 14 -7.868 12.043 -11.977 1.00 0.00 C ATOM 174 C ALA A 14 -8.147 11.806 -13.462 1.00 0.00 C ATOM 175 O ALA A 14 -8.966 12.519 -14.044 1.00 0.00 O ATOM 176 CB ALA A 14 -6.480 12.655 -11.804 1.00 0.00 C ATOM 0 H ALA A 14 -7.128 10.531 -10.682 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.649 12.726 -11.644 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.389 13.535 -12.441 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.337 12.944 -10.763 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.722 11.924 -12.085 1.00 0.00 H new ATOM 182 N VAL A 15 -7.533 10.799 -14.075 1.00 0.00 N ATOM 183 CA VAL A 15 -7.955 10.416 -15.433 1.00 0.00 C ATOM 184 C VAL A 15 -9.089 9.368 -15.355 1.00 0.00 C ATOM 185 O VAL A 15 -9.927 9.304 -16.254 1.00 0.00 O ATOM 186 CB VAL A 15 -6.768 9.949 -16.300 1.00 0.00 C ATOM 187 CG1 VAL A 15 -7.221 9.536 -17.706 1.00 0.00 C ATOM 188 CG2 VAL A 15 -5.739 11.076 -16.460 1.00 0.00 C ATOM 0 H VAL A 15 -6.771 10.248 -13.680 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.350 11.299 -15.936 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.328 9.093 -15.788 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.357 9.213 -18.287 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.935 8.716 -17.632 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.693 10.385 -18.200 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.909 10.727 -17.075 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.210 11.934 -16.940 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.365 11.369 -15.479 1.00 0.00 H new ATOM 198 N THR A 16 -9.115 8.532 -14.312 1.00 0.00 N ATOM 199 CA THR A 16 -10.031 7.383 -14.282 1.00 0.00 C ATOM 200 C THR A 16 -11.494 7.718 -13.914 1.00 0.00 C ATOM 201 O THR A 16 -12.355 6.844 -14.039 1.00 0.00 O ATOM 202 CB THR A 16 -9.452 6.318 -13.339 1.00 0.00 C ATOM 203 OG1 THR A 16 -9.293 6.849 -12.030 1.00 0.00 O ATOM 204 CG2 THR A 16 -8.106 5.779 -13.838 1.00 0.00 C ATOM 0 H THR A 16 -8.522 8.625 -13.487 1.00 0.00 H new ATOM 0 HA THR A 16 -10.097 7.008 -15.303 1.00 0.00 H new ATOM 0 HB THR A 16 -10.161 5.490 -13.317 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.387 7.210 -11.931 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.733 5.029 -13.141 1.00 0.00 H new ATOM 0 HG22 THR A 16 -8.237 5.327 -14.821 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.389 6.597 -13.907 1.00 0.00 H new ATOM 212 N THR A 17 -11.832 8.972 -13.599 1.00 0.00 N ATOM 213 CA THR A 17 -13.255 9.381 -13.613 1.00 0.00 C ATOM 214 C THR A 17 -13.770 9.601 -15.064 1.00 0.00 C ATOM 215 O THR A 17 -14.975 9.691 -15.301 1.00 0.00 O ATOM 216 CB THR A 17 -13.393 10.655 -12.761 1.00 0.00 C ATOM 217 OG1 THR A 17 -12.945 10.382 -11.439 1.00 0.00 O ATOM 218 CG2 THR A 17 -14.834 11.157 -12.672 1.00 0.00 C ATOM 0 H THR A 17 -11.172 9.705 -13.339 1.00 0.00 H new ATOM 0 HA THR A 17 -13.873 8.589 -13.190 1.00 0.00 H new ATOM 0 HB THR A 17 -12.793 11.426 -13.245 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.967 10.438 -11.407 1.00 0.00 H new ATOM 0 HG21 THR A 17 -14.868 12.057 -12.059 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.202 11.385 -13.672 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.460 10.387 -12.222 1.00 0.00 H new ATOM 226 N THR A 18 -12.853 9.597 -16.029 1.00 0.00 N ATOM 227 CA THR A 18 -13.165 9.484 -17.461 1.00 0.00 C ATOM 228 C THR A 18 -12.709 8.072 -17.899 1.00 0.00 C ATOM 229 O THR A 18 -11.577 7.931 -18.363 1.00 0.00 O ATOM 230 CB THR A 18 -12.517 10.608 -18.279 1.00 0.00 C ATOM 231 OG1 THR A 18 -12.867 11.869 -17.725 1.00 0.00 O ATOM 232 CG2 THR A 18 -13.038 10.547 -19.715 1.00 0.00 C ATOM 0 H THR A 18 -11.854 9.673 -15.840 1.00 0.00 H new ATOM 0 HA THR A 18 -14.233 9.602 -17.642 1.00 0.00 H new ATOM 0 HB THR A 18 -11.434 10.485 -18.262 1.00 0.00 H new ATOM 0 HG1 THR A 18 -12.450 12.584 -18.249 1.00 0.00 H new ATOM 0 HG21 THR A 18 -12.581 11.344 -20.302 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.784 9.582 -20.153 1.00 0.00 H new ATOM 0 HG23 THR A 18 -14.121 10.672 -19.715 1.00 0.00 H new ATOM 240 N PRO A 19 -13.420 7.013 -17.481 1.00 0.00 N ATOM 241 CA PRO A 19 -12.874 5.652 -17.328 1.00 0.00 C ATOM 242 C PRO A 19 -12.551 4.897 -18.632 1.00 0.00 C ATOM 243 O PRO A 19 -12.836 3.706 -18.763 1.00 0.00 O ATOM 244 CB PRO A 19 -14.021 4.985 -16.555 1.00 0.00 C ATOM 245 CG PRO A 19 -15.294 5.656 -17.065 1.00 0.00 C ATOM 246 CD PRO A 19 -14.871 7.099 -17.325 1.00 0.00 C ATOM 0 HA PRO A 19 -11.896 5.653 -16.847 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.044 3.910 -16.735 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.905 5.126 -15.480 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.661 5.178 -17.973 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.096 5.601 -16.329 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.347 7.500 -18.220 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.147 7.752 -16.497 1.00 0.00 H new ATOM 254 N GLU A 20 -11.877 5.555 -19.570 1.00 0.00 N ATOM 255 CA GLU A 20 -11.341 4.853 -20.748 1.00 0.00 C ATOM 256 C GLU A 20 -10.234 3.843 -20.388 1.00 0.00 C ATOM 257 O GLU A 20 -10.302 2.682 -20.796 1.00 0.00 O ATOM 258 CB GLU A 20 -10.803 5.924 -21.704 1.00 0.00 C ATOM 259 CG GLU A 20 -10.368 5.381 -23.072 1.00 0.00 C ATOM 260 CD GLU A 20 -11.527 4.776 -23.855 1.00 0.00 C ATOM 261 OE1 GLU A 20 -12.315 5.540 -24.457 1.00 0.00 O ATOM 262 OE2 GLU A 20 -11.657 3.532 -23.874 1.00 0.00 O ATOM 0 H GLU A 20 -11.687 6.557 -19.546 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.136 4.267 -21.210 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.572 6.682 -21.854 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.953 6.421 -21.235 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.922 6.187 -23.654 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.596 4.625 -22.930 1.00 0.00 H new ATOM 269 N LEU A 21 -9.234 4.263 -19.612 1.00 0.00 N ATOM 270 CA LEU A 21 -8.208 3.325 -19.114 1.00 0.00 C ATOM 271 C LEU A 21 -8.802 2.274 -18.155 1.00 0.00 C ATOM 272 O LEU A 21 -8.295 1.156 -18.070 1.00 0.00 O ATOM 273 CB LEU A 21 -7.079 4.065 -18.373 1.00 0.00 C ATOM 274 CG LEU A 21 -6.191 4.957 -19.259 1.00 0.00 C ATOM 275 CD1 LEU A 21 -6.856 6.299 -19.580 1.00 0.00 C ATOM 276 CD2 LEU A 21 -4.869 5.230 -18.535 1.00 0.00 C ATOM 0 H LEU A 21 -9.107 5.230 -19.314 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.808 2.825 -19.996 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.522 4.682 -17.592 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.447 3.328 -17.877 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.026 4.426 -20.197 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.192 6.893 -20.207 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.793 6.124 -20.108 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.057 6.836 -18.653 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.236 5.862 -19.159 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.069 5.737 -17.591 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.360 4.286 -18.340 1.00 0.00 H new ATOM 288 N VAL A 22 -9.864 2.620 -17.426 1.00 0.00 N ATOM 289 CA VAL A 22 -10.568 1.619 -16.602 1.00 0.00 C ATOM 290 C VAL A 22 -11.195 0.516 -17.475 1.00 0.00 C ATOM 291 O VAL A 22 -10.950 -0.663 -17.229 1.00 0.00 O ATOM 292 CB VAL A 22 -11.560 2.348 -15.675 1.00 0.00 C ATOM 293 CG1 VAL A 22 -12.640 1.436 -15.084 1.00 0.00 C ATOM 294 CG2 VAL A 22 -10.800 2.996 -14.512 1.00 0.00 C ATOM 0 H VAL A 22 -10.254 3.562 -17.384 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.866 1.086 -15.961 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.059 3.090 -16.299 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.300 2.021 -14.443 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -13.221 0.989 -15.891 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.169 0.648 -14.497 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.505 3.511 -13.859 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.276 2.226 -13.946 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.078 3.713 -14.903 1.00 0.00 H new ATOM 304 N GLU A 23 -11.946 0.862 -18.520 1.00 0.00 N ATOM 305 CA GLU A 23 -12.459 -0.171 -19.446 1.00 0.00 C ATOM 306 C GLU A 23 -11.345 -0.989 -20.123 1.00 0.00 C ATOM 307 O GLU A 23 -11.487 -2.191 -20.342 1.00 0.00 O ATOM 308 CB GLU A 23 -13.319 0.489 -20.532 1.00 0.00 C ATOM 309 CG GLU A 23 -14.621 1.106 -20.007 1.00 0.00 C ATOM 310 CD GLU A 23 -15.580 0.058 -19.453 1.00 0.00 C ATOM 311 OE1 GLU A 23 -16.269 -0.612 -20.252 1.00 0.00 O ATOM 312 OE2 GLU A 23 -15.649 -0.101 -18.214 1.00 0.00 O ATOM 0 H GLU A 23 -12.212 1.819 -18.751 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.049 -0.861 -18.843 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.733 1.266 -21.023 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.562 -0.255 -21.291 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.388 1.830 -19.226 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -15.111 1.653 -20.812 1.00 0.00 H new ATOM 319 N ASN A 24 -10.237 -0.331 -20.444 1.00 0.00 N ATOM 320 CA ASN A 24 -9.056 -1.002 -21.014 1.00 0.00 C ATOM 321 C ASN A 24 -8.404 -2.037 -20.085 1.00 0.00 C ATOM 322 O ASN A 24 -8.139 -3.159 -20.518 1.00 0.00 O ATOM 323 CB ASN A 24 -8.052 0.120 -21.287 1.00 0.00 C ATOM 324 CG ASN A 24 -8.316 0.905 -22.573 1.00 0.00 C ATOM 325 OD1 ASN A 24 -9.051 0.480 -23.465 1.00 0.00 O ATOM 326 ND2 ASN A 24 -7.707 2.073 -22.687 1.00 0.00 N ATOM 0 H ASN A 24 -10.124 0.675 -20.321 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.359 -1.562 -21.899 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.061 0.812 -20.445 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.051 -0.309 -21.336 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.842 2.639 -23.525 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.102 2.408 -21.937 1.00 0.00 H new ATOM 333 N THR A 25 -8.123 -1.686 -18.829 1.00 0.00 N ATOM 334 CA THR A 25 -7.529 -2.667 -17.896 1.00 0.00 C ATOM 335 C THR A 25 -8.497 -3.834 -17.608 1.00 0.00 C ATOM 336 O THR A 25 -8.075 -4.986 -17.503 1.00 0.00 O ATOM 337 CB THR A 25 -7.001 -1.991 -16.619 1.00 0.00 C ATOM 338 OG1 THR A 25 -6.161 -2.905 -15.929 1.00 0.00 O ATOM 339 CG2 THR A 25 -8.085 -1.514 -15.650 1.00 0.00 C ATOM 0 H THR A 25 -8.288 -0.760 -18.435 1.00 0.00 H new ATOM 0 HA THR A 25 -6.660 -3.107 -18.385 1.00 0.00 H new ATOM 0 HB THR A 25 -6.469 -1.100 -16.953 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.818 -2.483 -15.114 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.618 -1.051 -14.781 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.724 -0.786 -16.149 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.686 -2.365 -15.329 1.00 0.00 H new ATOM 347 N LYS A 26 -9.797 -3.544 -17.538 1.00 0.00 N ATOM 348 CA LYS A 26 -10.809 -4.607 -17.486 1.00 0.00 C ATOM 349 C LYS A 26 -10.851 -5.447 -18.775 1.00 0.00 C ATOM 350 O LYS A 26 -11.109 -6.648 -18.700 1.00 0.00 O ATOM 351 CB LYS A 26 -12.191 -3.981 -17.237 1.00 0.00 C ATOM 352 CG LYS A 26 -12.279 -3.143 -15.951 1.00 0.00 C ATOM 353 CD LYS A 26 -12.134 -3.969 -14.675 1.00 0.00 C ATOM 354 CE LYS A 26 -12.317 -3.068 -13.452 1.00 0.00 C ATOM 355 NZ LYS A 26 -12.158 -3.841 -12.211 1.00 0.00 N ATOM 0 H LYS A 26 -10.173 -2.596 -17.516 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.537 -5.278 -16.671 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.451 -3.350 -18.087 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.935 -4.776 -17.191 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.501 -2.379 -15.970 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.236 -2.623 -15.931 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.874 -4.769 -14.663 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.152 -4.442 -14.646 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.588 -2.258 -13.478 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.305 -2.609 -13.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.842 -3.506 -11.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.327 -4.849 -12.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.192 -3.716 -11.846 1.00 0.00 H new ATOM 369 N ALA A 27 -10.623 -4.857 -19.955 1.00 0.00 N ATOM 370 CA ALA A 27 -10.621 -5.653 -21.197 1.00 0.00 C ATOM 371 C ALA A 27 -9.424 -6.612 -21.297 1.00 0.00 C ATOM 372 O ALA A 27 -9.574 -7.787 -21.631 1.00 0.00 O ATOM 373 CB ALA A 27 -10.667 -4.713 -22.404 1.00 0.00 C ATOM 0 H ALA A 27 -10.442 -3.861 -20.080 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.510 -6.283 -21.183 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.666 -5.300 -23.323 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.573 -4.109 -22.361 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.795 -4.059 -22.390 1.00 0.00 H new ATOM 379 N GLN A 28 -8.237 -6.107 -20.977 1.00 0.00 N ATOM 380 CA GLN A 28 -7.023 -6.908 -20.870 1.00 0.00 C ATOM 381 C GLN A 28 -7.150 -8.093 -19.905 1.00 0.00 C ATOM 382 O GLN A 28 -6.873 -9.233 -20.281 1.00 0.00 O ATOM 383 CB GLN A 28 -6.095 -5.803 -20.364 1.00 0.00 C ATOM 384 CG GLN A 28 -4.654 -6.195 -20.096 1.00 0.00 C ATOM 385 CD GLN A 28 -4.447 -6.739 -18.686 1.00 0.00 C ATOM 386 OE1 GLN A 28 -4.466 -5.997 -17.703 1.00 0.00 O ATOM 387 NE2 GLN A 28 -4.273 -8.040 -18.553 1.00 0.00 N ATOM 0 H GLN A 28 -8.089 -5.117 -20.782 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.707 -7.420 -21.779 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.098 -4.995 -21.095 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.516 -5.401 -19.442 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.345 -6.948 -20.821 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.012 -5.327 -20.245 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.260 -8.640 -19.378 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.152 -8.446 -17.625 1.00 0.00 H new ATOM 396 N ALA A 29 -7.593 -7.836 -18.675 1.00 0.00 N ATOM 397 CA ALA A 29 -7.899 -8.931 -17.742 1.00 0.00 C ATOM 398 C ALA A 29 -8.955 -9.884 -18.317 1.00 0.00 C ATOM 399 O ALA A 29 -8.818 -11.102 -18.203 1.00 0.00 O ATOM 400 CB ALA A 29 -8.368 -8.330 -16.417 1.00 0.00 C ATOM 0 H ALA A 29 -7.747 -6.899 -18.302 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.998 -9.522 -17.579 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.599 -9.132 -15.715 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.580 -7.701 -16.003 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.261 -7.728 -16.586 1.00 0.00 H new ATOM 406 N ALA A 30 -10.018 -9.339 -18.914 1.00 0.00 N ATOM 407 CA ALA A 30 -11.165 -10.186 -19.294 1.00 0.00 C ATOM 408 C ALA A 30 -10.777 -11.202 -20.380 1.00 0.00 C ATOM 409 O ALA A 30 -11.073 -12.390 -20.250 1.00 0.00 O ATOM 410 CB ALA A 30 -12.328 -9.308 -19.763 1.00 0.00 C ATOM 0 H ALA A 30 -10.115 -8.349 -19.141 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.479 -10.751 -18.416 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.171 -9.940 -20.042 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.627 -8.639 -18.956 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.015 -8.719 -20.625 1.00 0.00 H new ATOM 416 N SER A 31 -10.148 -10.748 -21.466 1.00 0.00 N ATOM 417 CA SER A 31 -9.926 -11.627 -22.627 1.00 0.00 C ATOM 418 C SER A 31 -8.794 -12.645 -22.374 1.00 0.00 C ATOM 419 O SER A 31 -8.678 -13.640 -23.091 1.00 0.00 O ATOM 420 CB SER A 31 -9.587 -10.766 -23.849 1.00 0.00 C ATOM 421 OG SER A 31 -10.662 -9.887 -24.149 1.00 0.00 O ATOM 0 H SER A 31 -9.789 -9.799 -21.571 1.00 0.00 H new ATOM 0 HA SER A 31 -10.840 -12.194 -22.803 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.681 -10.191 -23.657 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.382 -11.406 -24.707 1.00 0.00 H new ATOM 0 HG SER A 31 -10.431 -9.342 -24.930 1.00 0.00 H new ATOM 427 N LYS A 32 -7.995 -12.436 -21.324 1.00 0.00 N ATOM 428 CA LYS A 32 -7.031 -13.436 -20.875 1.00 0.00 C ATOM 429 C LYS A 32 -7.701 -14.434 -19.920 1.00 0.00 C ATOM 430 O LYS A 32 -8.609 -15.168 -20.311 1.00 0.00 O ATOM 431 CB LYS A 32 -5.844 -12.667 -20.265 1.00 0.00 C ATOM 432 CG LYS A 32 -5.043 -11.880 -21.311 1.00 0.00 C ATOM 433 CD LYS A 32 -3.863 -11.147 -20.667 1.00 0.00 C ATOM 434 CE LYS A 32 -3.096 -10.315 -21.699 1.00 0.00 C ATOM 435 NZ LYS A 32 -1.969 -9.621 -21.057 1.00 0.00 N ATOM 0 H LYS A 32 -7.999 -11.580 -20.770 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.656 -14.051 -21.693 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.215 -11.979 -19.505 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.182 -13.371 -19.761 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.676 -12.560 -22.080 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.695 -11.161 -21.807 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.226 -10.498 -19.870 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.190 -11.870 -20.207 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.728 -10.961 -22.496 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.765 -9.588 -22.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.457 -9.060 -21.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.328 -8.991 -20.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.324 -10.321 -20.637 1.00 0.00 H new ATOM 449 N LYS A 33 -7.285 -14.429 -18.661 1.00 0.00 N ATOM 450 CA LYS A 33 -7.996 -15.196 -17.622 1.00 0.00 C ATOM 451 C LYS A 33 -7.892 -14.590 -16.218 1.00 0.00 C ATOM 452 O LYS A 33 -7.894 -15.289 -15.202 1.00 0.00 O ATOM 453 CB LYS A 33 -7.314 -16.564 -17.642 1.00 0.00 C ATOM 454 CG LYS A 33 -8.218 -17.728 -17.232 1.00 0.00 C ATOM 455 CD LYS A 33 -9.382 -17.883 -18.215 1.00 0.00 C ATOM 456 CE LYS A 33 -10.319 -19.019 -17.797 1.00 0.00 C ATOM 457 NZ LYS A 33 -11.419 -19.154 -18.765 1.00 0.00 N ATOM 0 H LYS A 33 -6.471 -13.913 -18.327 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.065 -15.218 -17.835 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.934 -16.752 -18.646 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.453 -16.537 -16.975 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.638 -18.651 -17.199 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.605 -17.558 -16.227 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.942 -16.949 -18.269 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.993 -18.079 -19.214 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.763 -19.954 -17.735 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.722 -18.821 -16.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.048 -19.928 -18.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.958 -18.266 -18.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.029 -19.364 -19.706 1.00 0.00 H new ATOM 471 N VAL A 34 -7.879 -13.273 -16.180 1.00 0.00 N ATOM 472 CA VAL A 34 -7.992 -12.538 -14.903 1.00 0.00 C ATOM 473 C VAL A 34 -9.312 -11.754 -14.791 1.00 0.00 C ATOM 474 O VAL A 34 -9.827 -11.198 -15.761 1.00 0.00 O ATOM 475 CB VAL A 34 -6.786 -11.587 -14.716 1.00 0.00 C ATOM 476 CG1 VAL A 34 -6.721 -11.057 -13.276 1.00 0.00 C ATOM 477 CG2 VAL A 34 -5.441 -12.259 -15.020 1.00 0.00 C ATOM 0 H VAL A 34 -7.793 -12.678 -17.004 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.990 -13.282 -14.107 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.946 -10.775 -15.426 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.864 -10.391 -13.172 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.636 -10.510 -13.048 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.617 -11.893 -12.585 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.634 -11.542 -14.871 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.299 -13.108 -14.352 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.433 -12.605 -16.054 1.00 0.00 H new ATOM 487 N LYS A 35 -9.780 -11.605 -13.554 1.00 0.00 N ATOM 488 CA LYS A 35 -10.800 -10.592 -13.240 1.00 0.00 C ATOM 489 C LYS A 35 -10.278 -9.779 -12.060 1.00 0.00 C ATOM 490 O LYS A 35 -9.796 -10.306 -11.056 1.00 0.00 O ATOM 491 CB LYS A 35 -12.149 -11.236 -12.910 1.00 0.00 C ATOM 492 CG LYS A 35 -13.320 -10.286 -12.626 1.00 0.00 C ATOM 493 CD LYS A 35 -14.605 -11.075 -12.361 1.00 0.00 C ATOM 494 CE LYS A 35 -15.774 -10.138 -12.060 1.00 0.00 C ATOM 495 NZ LYS A 35 -16.999 -10.913 -11.814 1.00 0.00 N ATOM 0 H LYS A 35 -9.477 -12.164 -12.756 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.972 -9.950 -14.104 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.430 -11.881 -13.742 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.015 -11.879 -12.040 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.087 -9.661 -11.764 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.466 -9.617 -13.474 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.843 -11.691 -13.228 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.453 -11.753 -11.521 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.542 -9.525 -11.189 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -15.928 -9.457 -12.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.786 -10.264 -11.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.226 -11.479 -12.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.853 -11.545 -11.001 1.00 0.00 H new ATOM 509 N PHE A 36 -10.427 -8.477 -12.198 1.00 0.00 N ATOM 510 CA PHE A 36 -10.076 -7.543 -11.115 1.00 0.00 C ATOM 511 C PHE A 36 -11.347 -7.151 -10.356 1.00 0.00 C ATOM 512 O PHE A 36 -12.203 -6.421 -10.857 1.00 0.00 O ATOM 513 CB PHE A 36 -9.296 -6.311 -11.556 1.00 0.00 C ATOM 514 CG PHE A 36 -8.052 -6.540 -12.402 1.00 0.00 C ATOM 515 CD1 PHE A 36 -7.080 -7.410 -12.008 1.00 0.00 C ATOM 516 CD2 PHE A 36 -7.871 -5.795 -13.528 1.00 0.00 C ATOM 517 CE1 PHE A 36 -5.953 -7.555 -12.753 1.00 0.00 C ATOM 518 CE2 PHE A 36 -6.739 -5.935 -14.266 1.00 0.00 C ATOM 519 CZ PHE A 36 -5.785 -6.822 -13.884 1.00 0.00 C ATOM 0 H PHE A 36 -10.787 -8.030 -13.041 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.387 -8.076 -10.460 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.972 -5.667 -12.118 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.000 -5.761 -10.663 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.206 -7.985 -11.102 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.630 -5.091 -13.835 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.190 -8.254 -12.445 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.598 -5.341 -15.157 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.892 -6.945 -14.479 1.00 0.00 H new ATOM 529 N VAL A 37 -11.532 -7.787 -9.211 1.00 0.00 N ATOM 530 CA VAL A 37 -12.841 -7.785 -8.537 1.00 0.00 C ATOM 531 C VAL A 37 -12.986 -6.728 -7.424 1.00 0.00 C ATOM 532 O VAL A 37 -14.094 -6.436 -6.974 1.00 0.00 O ATOM 533 CB VAL A 37 -13.053 -9.226 -8.036 1.00 0.00 C ATOM 534 CG1 VAL A 37 -12.196 -9.609 -6.826 1.00 0.00 C ATOM 535 CG2 VAL A 37 -14.515 -9.486 -7.705 1.00 0.00 C ATOM 0 H VAL A 37 -10.805 -8.311 -8.723 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.622 -7.487 -9.237 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.732 -9.853 -8.868 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.409 -10.639 -6.541 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.141 -9.515 -7.083 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.427 -8.946 -5.992 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.632 -10.511 -7.354 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -14.840 -8.797 -6.926 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -15.122 -9.336 -8.598 1.00 0.00 H new ATOM 545 N ASP A 38 -11.868 -6.156 -6.990 1.00 0.00 N ATOM 546 CA ASP A 38 -11.867 -5.233 -5.838 1.00 0.00 C ATOM 547 C ASP A 38 -11.306 -3.879 -6.278 1.00 0.00 C ATOM 548 O ASP A 38 -10.190 -3.781 -6.788 1.00 0.00 O ATOM 549 CB ASP A 38 -11.110 -5.777 -4.610 1.00 0.00 C ATOM 550 CG ASP A 38 -10.089 -6.882 -4.862 1.00 0.00 C ATOM 551 OD1 ASP A 38 -10.507 -8.034 -5.094 1.00 0.00 O ATOM 552 OD2 ASP A 38 -8.871 -6.619 -4.813 1.00 0.00 O ATOM 0 H ASP A 38 -10.951 -6.308 -7.409 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.901 -5.120 -5.511 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.596 -4.943 -4.132 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.845 -6.150 -3.897 1.00 0.00 H new ATOM 557 N GLN A 39 -12.128 -2.839 -6.131 1.00 0.00 N ATOM 558 CA GLN A 39 -11.816 -1.541 -6.751 1.00 0.00 C ATOM 559 C GLN A 39 -11.574 -0.506 -5.668 1.00 0.00 C ATOM 560 O GLN A 39 -12.481 -0.158 -4.910 1.00 0.00 O ATOM 561 CB GLN A 39 -12.944 -1.032 -7.661 1.00 0.00 C ATOM 562 CG GLN A 39 -13.626 -2.162 -8.428 1.00 0.00 C ATOM 563 CD GLN A 39 -14.610 -1.644 -9.470 1.00 0.00 C ATOM 564 OE1 GLN A 39 -15.803 -1.496 -9.213 1.00 0.00 O ATOM 565 NE2 GLN A 39 -14.124 -1.360 -10.666 1.00 0.00 N ATOM 0 H GLN A 39 -12.999 -2.862 -5.600 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.927 -1.690 -7.364 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.685 -0.507 -7.058 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.538 -0.309 -8.369 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.869 -2.773 -8.919 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.151 -2.809 -7.726 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.131 -1.490 -10.857 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.742 -1.010 -11.398 1.00 0.00 H new ATOM 574 N PHE A 40 -10.340 -0.029 -5.603 1.00 0.00 N ATOM 575 CA PHE A 40 -9.968 0.890 -4.518 1.00 0.00 C ATOM 576 C PHE A 40 -9.422 2.187 -5.115 1.00 0.00 C ATOM 577 O PHE A 40 -8.426 2.200 -5.840 1.00 0.00 O ATOM 578 CB PHE A 40 -8.922 0.298 -3.567 1.00 0.00 C ATOM 579 CG PHE A 40 -9.281 -0.955 -2.770 1.00 0.00 C ATOM 580 CD1 PHE A 40 -10.556 -1.404 -2.619 1.00 0.00 C ATOM 581 CD2 PHE A 40 -8.264 -1.640 -2.177 1.00 0.00 C ATOM 582 CE1 PHE A 40 -10.809 -2.539 -1.918 1.00 0.00 C ATOM 583 CE2 PHE A 40 -8.518 -2.761 -1.456 1.00 0.00 C ATOM 584 CZ PHE A 40 -9.790 -3.217 -1.331 1.00 0.00 C ATOM 0 H PHE A 40 -9.594 -0.249 -6.263 1.00 0.00 H new ATOM 0 HA PHE A 40 -10.870 1.077 -3.935 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.032 0.073 -4.154 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.646 1.075 -2.854 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -11.374 -0.853 -3.060 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.248 -1.288 -2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.822 -2.903 -1.827 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.706 -3.291 -0.981 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.991 -4.116 -0.767 1.00 0.00 H new ATOM 594 N LEU A 41 -10.079 3.289 -4.799 1.00 0.00 N ATOM 595 CA LEU A 41 -9.578 4.606 -5.205 1.00 0.00 C ATOM 596 C LEU A 41 -8.613 5.101 -4.122 1.00 0.00 C ATOM 597 O LEU A 41 -8.745 4.767 -2.944 1.00 0.00 O ATOM 598 CB LEU A 41 -10.770 5.563 -5.343 1.00 0.00 C ATOM 599 CG LEU A 41 -11.523 5.475 -6.684 1.00 0.00 C ATOM 600 CD1 LEU A 41 -12.101 4.085 -6.970 1.00 0.00 C ATOM 601 CD2 LEU A 41 -12.670 6.488 -6.690 1.00 0.00 C ATOM 0 H LEU A 41 -10.951 3.308 -4.269 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.056 4.554 -6.160 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.473 5.362 -4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.414 6.585 -5.210 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.792 5.690 -7.463 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.617 4.096 -7.930 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.293 3.354 -7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.805 3.814 -6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.204 6.427 -7.638 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -13.356 6.266 -5.872 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -12.268 7.493 -6.564 1.00 0.00 H new ATOM 613 N ILE A 42 -7.622 5.895 -4.518 1.00 0.00 N ATOM 614 CA ILE A 42 -6.607 6.355 -3.559 1.00 0.00 C ATOM 615 C ILE A 42 -7.170 7.239 -2.427 1.00 0.00 C ATOM 616 O ILE A 42 -6.747 7.105 -1.278 1.00 0.00 O ATOM 617 CB ILE A 42 -5.420 6.953 -4.347 1.00 0.00 C ATOM 618 CG1 ILE A 42 -4.187 7.190 -3.473 1.00 0.00 C ATOM 619 CG2 ILE A 42 -5.737 8.271 -5.061 1.00 0.00 C ATOM 620 CD1 ILE A 42 -3.850 5.991 -2.585 1.00 0.00 C ATOM 0 H ILE A 42 -7.496 6.230 -5.473 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.229 5.503 -2.995 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.214 6.188 -5.096 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.333 7.415 -4.111 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.355 8.065 -2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.850 8.621 -5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.546 8.113 -5.775 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.041 9.018 -4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.967 6.217 -1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.691 5.780 -1.924 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.652 5.120 -3.210 1.00 0.00 H new ATOM 632 N ASN A 43 -8.131 8.115 -2.719 1.00 0.00 N ATOM 633 CA ASN A 43 -8.727 8.937 -1.649 1.00 0.00 C ATOM 634 C ASN A 43 -9.763 8.172 -0.802 1.00 0.00 C ATOM 635 O ASN A 43 -9.898 8.441 0.392 1.00 0.00 O ATOM 636 CB ASN A 43 -9.393 10.178 -2.265 1.00 0.00 C ATOM 637 CG ASN A 43 -8.394 11.108 -2.955 1.00 0.00 C ATOM 638 OD1 ASN A 43 -7.572 11.759 -2.312 1.00 0.00 O ATOM 639 ND2 ASN A 43 -8.455 11.186 -4.273 1.00 0.00 N ATOM 0 H ASN A 43 -8.508 8.276 -3.653 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.914 9.222 -0.981 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.145 9.860 -2.987 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.915 10.730 -1.483 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.812 11.796 -4.778 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.145 10.637 -4.785 1.00 0.00 H new ATOM 646 N LYS A 44 -10.469 7.197 -1.377 1.00 0.00 N ATOM 647 CA LYS A 44 -11.462 6.431 -0.609 1.00 0.00 C ATOM 648 C LYS A 44 -10.816 5.373 0.295 1.00 0.00 C ATOM 649 O LYS A 44 -11.241 5.195 1.435 1.00 0.00 O ATOM 650 CB LYS A 44 -12.440 5.761 -1.580 1.00 0.00 C ATOM 651 CG LYS A 44 -13.336 6.770 -2.310 1.00 0.00 C ATOM 652 CD LYS A 44 -14.401 6.058 -3.146 1.00 0.00 C ATOM 653 CE LYS A 44 -15.301 7.067 -3.862 1.00 0.00 C ATOM 654 NZ LYS A 44 -16.311 6.365 -4.668 1.00 0.00 N ATOM 0 H LYS A 44 -10.378 6.920 -2.354 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.989 7.128 0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.878 5.183 -2.314 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.065 5.057 -1.031 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.817 7.425 -1.584 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.726 7.403 -2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.920 5.410 -3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.005 5.418 -2.503 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.791 7.710 -3.131 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.699 7.712 -4.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.916 7.061 -5.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.837 5.769 -5.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.895 5.768 -4.049 1.00 0.00 H new ATOM 668 N LEU A 45 -9.793 4.669 -0.193 1.00 0.00 N ATOM 669 CA LEU A 45 -9.108 3.665 0.641 1.00 0.00 C ATOM 670 C LEU A 45 -8.342 4.286 1.817 1.00 0.00 C ATOM 671 O LEU A 45 -8.367 3.784 2.942 1.00 0.00 O ATOM 672 CB LEU A 45 -8.067 2.991 -0.261 1.00 0.00 C ATOM 673 CG LEU A 45 -7.513 1.670 0.294 1.00 0.00 C ATOM 674 CD1 LEU A 45 -8.611 0.612 0.452 1.00 0.00 C ATOM 675 CD2 LEU A 45 -6.413 1.147 -0.634 1.00 0.00 C ATOM 0 H LEU A 45 -9.423 4.767 -1.138 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.857 2.986 1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.516 2.802 -1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.239 3.681 -0.419 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.102 1.867 1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.177 -0.307 0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.373 0.978 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.065 0.411 -0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.020 0.210 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.826 0.978 -1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.609 1.881 -0.695 1.00 0.00 H new ATOM 687 N ASN A 46 -7.694 5.411 1.537 1.00 0.00 N ATOM 688 CA ASN A 46 -6.965 6.153 2.579 1.00 0.00 C ATOM 689 C ASN A 46 -7.904 6.901 3.546 1.00 0.00 C ATOM 690 O ASN A 46 -7.513 7.203 4.675 1.00 0.00 O ATOM 691 CB ASN A 46 -5.985 7.108 1.879 1.00 0.00 C ATOM 692 CG ASN A 46 -4.999 7.763 2.845 1.00 0.00 C ATOM 693 OD1 ASN A 46 -4.123 7.111 3.411 1.00 0.00 O ATOM 694 ND2 ASN A 46 -5.123 9.064 3.040 1.00 0.00 N ATOM 0 H ASN A 46 -7.654 5.832 0.609 1.00 0.00 H new ATOM 0 HA ASN A 46 -6.419 5.448 3.206 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.430 6.558 1.119 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.549 7.884 1.362 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.484 9.548 3.671 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.857 9.584 2.560 1.00 0.00 H new ATOM 701 N ASP A 47 -9.145 7.178 3.138 1.00 0.00 N ATOM 702 CA ASP A 47 -10.137 7.718 4.084 1.00 0.00 C ATOM 703 C ASP A 47 -10.746 6.604 4.958 1.00 0.00 C ATOM 704 O ASP A 47 -11.042 6.838 6.131 1.00 0.00 O ATOM 705 CB ASP A 47 -11.215 8.511 3.322 1.00 0.00 C ATOM 706 CG ASP A 47 -12.230 9.173 4.250 1.00 0.00 C ATOM 707 OD1 ASP A 47 -11.918 10.242 4.818 1.00 0.00 O ATOM 708 OD2 ASP A 47 -13.343 8.629 4.413 1.00 0.00 O ATOM 0 H ASP A 47 -9.485 7.044 2.186 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.633 8.404 4.765 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -10.734 9.276 2.713 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.737 7.841 2.639 1.00 0.00 H new ATOM 713 N GLY A 48 -10.934 5.405 4.407 1.00 0.00 N ATOM 714 CA GLY A 48 -11.476 4.287 5.193 1.00 0.00 C ATOM 715 C GLY A 48 -12.804 3.719 4.674 1.00 0.00 C ATOM 716 O GLY A 48 -13.490 3.000 5.401 1.00 0.00 O ATOM 0 H GLY A 48 -10.724 5.180 3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.738 3.485 5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.616 4.619 6.222 1.00 0.00 H new ATOM 720 N SER A 49 -13.192 4.038 3.439 1.00 0.00 N ATOM 721 CA SER A 49 -14.509 3.627 2.934 1.00 0.00 C ATOM 722 C SER A 49 -14.584 2.158 2.489 1.00 0.00 C ATOM 723 O SER A 49 -15.603 1.508 2.723 1.00 0.00 O ATOM 724 CB SER A 49 -14.897 4.542 1.766 1.00 0.00 C ATOM 725 OG SER A 49 -14.957 5.896 2.194 1.00 0.00 O ATOM 0 H SER A 49 -12.627 4.570 2.777 1.00 0.00 H new ATOM 0 HA SER A 49 -15.208 3.720 3.765 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.170 4.441 0.960 1.00 0.00 H new ATOM 0 HB3 SER A 49 -15.863 4.238 1.364 1.00 0.00 H new ATOM 0 HG SER A 49 -15.204 6.468 1.437 1.00 0.00 H new ATOM 731 N ILE A 50 -13.553 1.633 1.823 1.00 0.00 N ATOM 732 CA ILE A 50 -13.693 0.327 1.155 1.00 0.00 C ATOM 733 C ILE A 50 -12.769 -0.688 1.822 1.00 0.00 C ATOM 734 O ILE A 50 -11.541 -0.587 1.789 1.00 0.00 O ATOM 735 CB ILE A 50 -13.323 0.391 -0.339 1.00 0.00 C ATOM 736 CG1 ILE A 50 -14.005 1.555 -1.066 1.00 0.00 C ATOM 737 CG2 ILE A 50 -13.632 -0.925 -1.070 1.00 0.00 C ATOM 738 CD1 ILE A 50 -13.202 1.862 -2.320 1.00 0.00 C ATOM 0 H ILE A 50 -12.637 2.072 1.730 1.00 0.00 H new ATOM 0 HA ILE A 50 -14.739 0.035 1.243 1.00 0.00 H new ATOM 0 HB ILE A 50 -12.246 0.559 -0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -15.031 1.294 -1.325 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.053 2.432 -0.420 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.354 -0.832 -2.120 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.064 -1.736 -0.615 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -14.698 -1.142 -0.994 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -13.667 2.689 -2.857 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.184 2.137 -2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.178 0.981 -2.961 1.00 0.00 H new ATOM 750 N THR A 51 -13.399 -1.715 2.361 1.00 0.00 N ATOM 751 CA THR A 51 -12.687 -2.977 2.598 1.00 0.00 C ATOM 752 C THR A 51 -13.604 -4.091 2.072 1.00 0.00 C ATOM 753 O THR A 51 -14.827 -3.931 2.009 1.00 0.00 O ATOM 754 CB THR A 51 -12.419 -3.082 4.113 1.00 0.00 C ATOM 755 OG1 THR A 51 -11.657 -1.958 4.536 1.00 0.00 O ATOM 756 CG2 THR A 51 -11.649 -4.341 4.508 1.00 0.00 C ATOM 0 H THR A 51 -14.380 -1.713 2.641 1.00 0.00 H new ATOM 0 HA THR A 51 -11.725 -3.047 2.091 1.00 0.00 H new ATOM 0 HB THR A 51 -13.396 -3.121 4.594 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.487 -2.022 5.499 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.495 -4.350 5.587 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.219 -5.223 4.215 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.683 -4.350 4.004 1.00 0.00 H new ATOM 764 N LEU A 52 -13.047 -5.262 1.779 1.00 0.00 N ATOM 765 CA LEU A 52 -13.892 -6.456 1.609 1.00 0.00 C ATOM 766 C LEU A 52 -13.309 -7.611 2.430 1.00 0.00 C ATOM 767 O LEU A 52 -13.858 -7.999 3.460 1.00 0.00 O ATOM 768 CB LEU A 52 -14.270 -6.727 0.135 1.00 0.00 C ATOM 769 CG LEU A 52 -13.182 -7.219 -0.831 1.00 0.00 C ATOM 770 CD1 LEU A 52 -13.805 -7.482 -2.203 1.00 0.00 C ATOM 771 CD2 LEU A 52 -12.029 -6.222 -0.988 1.00 0.00 C ATOM 0 H LEU A 52 -12.046 -5.417 1.656 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.883 -6.291 2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -15.073 -7.464 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -14.682 -5.805 -0.275 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.766 -8.133 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -13.035 -7.831 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -14.581 -8.242 -2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -14.243 -6.560 -2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.292 -6.625 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.414 -5.278 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.560 -6.052 -0.019 1.00 0.00 H new ATOM 783 N GLU A 53 -12.172 -8.122 1.983 1.00 0.00 N ATOM 784 CA GLU A 53 -11.419 -9.129 2.752 1.00 0.00 C ATOM 785 C GLU A 53 -9.907 -8.862 2.622 1.00 0.00 C ATOM 786 O GLU A 53 -9.461 -7.997 1.865 1.00 0.00 O ATOM 787 CB GLU A 53 -11.746 -10.545 2.235 1.00 0.00 C ATOM 788 CG GLU A 53 -13.177 -11.014 2.522 1.00 0.00 C ATOM 789 CD GLU A 53 -13.442 -11.222 4.010 1.00 0.00 C ATOM 790 OE1 GLU A 53 -12.746 -12.050 4.638 1.00 0.00 O ATOM 791 OE2 GLU A 53 -14.353 -10.563 4.559 1.00 0.00 O ATOM 0 H GLU A 53 -11.743 -7.863 1.095 1.00 0.00 H new ATOM 0 HA GLU A 53 -11.707 -9.060 3.801 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -11.578 -10.572 1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.049 -11.252 2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.881 -10.279 2.131 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.362 -11.947 1.990 1.00 0.00 H new ATOM 798 N ASN A 54 -9.118 -9.564 3.432 1.00 0.00 N ATOM 799 CA ASN A 54 -7.686 -9.267 3.567 1.00 0.00 C ATOM 800 C ASN A 54 -6.895 -10.526 3.160 1.00 0.00 C ATOM 801 O ASN A 54 -6.252 -11.156 4.004 1.00 0.00 O ATOM 802 CB ASN A 54 -7.441 -8.849 5.030 1.00 0.00 C ATOM 803 CG ASN A 54 -8.277 -7.652 5.490 1.00 0.00 C ATOM 804 OD1 ASN A 54 -8.447 -6.666 4.774 1.00 0.00 O ATOM 805 ND2 ASN A 54 -8.802 -7.719 6.700 1.00 0.00 N ATOM 0 H ASN A 54 -9.442 -10.343 4.006 1.00 0.00 H new ATOM 0 HA ASN A 54 -7.356 -8.453 2.921 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -7.655 -9.698 5.679 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.385 -8.610 5.156 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -9.361 -6.944 7.057 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -8.649 -8.546 7.277 1.00 0.00 H new ATOM 812 N ALA A 55 -6.999 -10.967 1.900 1.00 0.00 N ATOM 813 CA ALA A 55 -6.530 -12.325 1.560 1.00 0.00 C ATOM 814 C ALA A 55 -6.182 -12.564 0.079 1.00 0.00 C ATOM 815 O ALA A 55 -5.015 -12.466 -0.300 1.00 0.00 O ATOM 816 CB ALA A 55 -7.555 -13.341 2.086 1.00 0.00 C ATOM 0 H ALA A 55 -7.387 -10.432 1.123 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.567 -12.456 2.054 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.224 -14.351 1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.646 -13.239 3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.523 -13.155 1.621 1.00 0.00 H new ATOM 822 N LYS A 56 -7.140 -13.042 -0.717 1.00 0.00 N ATOM 823 CA LYS A 56 -6.808 -13.676 -2.004 1.00 0.00 C ATOM 824 C LYS A 56 -7.011 -12.735 -3.201 1.00 0.00 C ATOM 825 O LYS A 56 -7.806 -13.010 -4.096 1.00 0.00 O ATOM 826 CB LYS A 56 -7.551 -15.018 -2.173 1.00 0.00 C ATOM 827 CG LYS A 56 -9.085 -14.983 -2.264 1.00 0.00 C ATOM 828 CD LYS A 56 -9.614 -16.223 -2.991 1.00 0.00 C ATOM 829 CE LYS A 56 -11.140 -16.186 -3.108 1.00 0.00 C ATOM 830 NZ LYS A 56 -11.627 -17.383 -3.810 1.00 0.00 N ATOM 0 H LYS A 56 -8.137 -13.006 -0.503 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.741 -13.897 -1.985 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.173 -15.498 -3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.280 -15.659 -1.334 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.512 -14.933 -1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.402 -14.083 -2.791 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.172 -16.281 -3.985 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.309 -17.121 -2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.586 -16.131 -2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.449 -15.290 -3.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.664 -17.345 -3.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.214 -17.418 -4.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.348 -18.234 -3.281 1.00 0.00 H new ATOM 844 N TYR A 57 -6.237 -11.656 -3.269 1.00 0.00 N ATOM 845 CA TYR A 57 -6.209 -10.808 -4.482 1.00 0.00 C ATOM 846 C TYR A 57 -4.872 -10.867 -5.235 1.00 0.00 C ATOM 847 O TYR A 57 -4.517 -9.834 -5.799 1.00 0.00 O ATOM 848 CB TYR A 57 -6.573 -9.336 -4.240 1.00 0.00 C ATOM 849 CG TYR A 57 -7.716 -9.158 -3.255 1.00 0.00 C ATOM 850 CD1 TYR A 57 -8.893 -9.819 -3.447 1.00 0.00 C ATOM 851 CD2 TYR A 57 -7.540 -8.402 -2.140 1.00 0.00 C ATOM 852 CE1 TYR A 57 -9.882 -9.731 -2.523 1.00 0.00 C ATOM 853 CE2 TYR A 57 -8.533 -8.307 -1.219 1.00 0.00 C ATOM 854 CZ TYR A 57 -9.694 -8.987 -1.404 1.00 0.00 C ATOM 855 OH TYR A 57 -10.668 -8.945 -0.449 1.00 0.00 O ATOM 0 H TYR A 57 -5.625 -11.341 -2.516 1.00 0.00 H new ATOM 0 HA TYR A 57 -6.990 -11.250 -5.101 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.695 -8.807 -3.868 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -6.844 -8.874 -5.189 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -9.038 -10.414 -4.337 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.609 -7.876 -1.986 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.816 -10.251 -2.677 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.400 -7.692 -0.341 1.00 0.00 H new ATOM 0 HH TYR A 57 -11.377 -9.583 -0.676 1.00 0.00 H new ATOM 865 N GLU A 58 -4.049 -11.913 -5.066 1.00 0.00 N ATOM 866 CA GLU A 58 -2.585 -11.852 -5.340 1.00 0.00 C ATOM 867 C GLU A 58 -2.162 -11.533 -6.806 1.00 0.00 C ATOM 868 O GLU A 58 -1.175 -12.058 -7.323 1.00 0.00 O ATOM 869 CB GLU A 58 -1.964 -13.216 -4.969 1.00 0.00 C ATOM 870 CG GLU A 58 -2.281 -13.677 -3.539 1.00 0.00 C ATOM 871 CD GLU A 58 -1.582 -14.990 -3.216 1.00 0.00 C ATOM 872 OE1 GLU A 58 -2.164 -16.064 -3.478 1.00 0.00 O ATOM 873 OE2 GLU A 58 -0.445 -14.955 -2.697 1.00 0.00 O ATOM 0 H GLU A 58 -4.366 -12.825 -4.738 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.226 -11.016 -4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.322 -13.970 -5.671 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.882 -13.156 -5.089 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.968 -12.911 -2.829 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.358 -13.797 -3.423 1.00 0.00 H new ATOM 880 N THR A 59 -2.863 -10.598 -7.437 1.00 0.00 N ATOM 881 CA THR A 59 -2.411 -9.964 -8.692 1.00 0.00 C ATOM 882 C THR A 59 -2.937 -8.530 -8.632 1.00 0.00 C ATOM 883 O THR A 59 -4.134 -8.268 -8.530 1.00 0.00 O ATOM 884 CB THR A 59 -2.796 -10.726 -9.978 1.00 0.00 C ATOM 885 OG1 THR A 59 -1.664 -11.442 -10.448 1.00 0.00 O ATOM 886 CG2 THR A 59 -3.339 -9.855 -11.106 1.00 0.00 C ATOM 0 H THR A 59 -3.762 -10.251 -7.102 1.00 0.00 H new ATOM 0 HA THR A 59 -1.323 -9.982 -8.760 1.00 0.00 H new ATOM 0 HB THR A 59 -3.614 -11.389 -9.697 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.918 -11.322 -9.823 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.581 -10.481 -11.965 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.238 -9.340 -10.768 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.587 -9.120 -11.393 1.00 0.00 H new ATOM 894 N VAL A 60 -1.993 -7.610 -8.587 1.00 0.00 N ATOM 895 CA VAL A 60 -2.288 -6.227 -8.193 1.00 0.00 C ATOM 896 C VAL A 60 -1.941 -5.318 -9.398 1.00 0.00 C ATOM 897 O VAL A 60 -0.873 -5.457 -9.994 1.00 0.00 O ATOM 898 CB VAL A 60 -1.341 -5.977 -7.006 1.00 0.00 C ATOM 899 CG1 VAL A 60 -1.219 -4.513 -6.611 1.00 0.00 C ATOM 900 CG2 VAL A 60 -1.768 -6.764 -5.769 1.00 0.00 C ATOM 0 H VAL A 60 -1.014 -7.785 -8.816 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.325 -6.035 -7.919 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.368 -6.317 -7.362 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.535 -4.419 -5.768 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.836 -3.939 -7.455 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.199 -4.130 -6.327 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.075 -6.562 -4.952 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.774 -6.463 -5.475 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.760 -7.830 -5.996 1.00 0.00 H new ATOM 910 N HIS A 61 -2.809 -4.367 -9.748 1.00 0.00 N ATOM 911 CA HIS A 61 -2.448 -3.313 -10.713 1.00 0.00 C ATOM 912 C HIS A 61 -2.649 -1.952 -10.022 1.00 0.00 C ATOM 913 O HIS A 61 -3.705 -1.717 -9.433 1.00 0.00 O ATOM 914 CB HIS A 61 -3.324 -3.477 -11.983 1.00 0.00 C ATOM 915 CG HIS A 61 -2.529 -4.107 -13.105 1.00 0.00 C ATOM 916 ND1 HIS A 61 -2.706 -5.396 -13.592 1.00 0.00 N ATOM 917 CD2 HIS A 61 -1.433 -3.490 -13.700 1.00 0.00 C ATOM 918 CE1 HIS A 61 -1.658 -5.420 -14.479 1.00 0.00 C ATOM 919 NE2 HIS A 61 -0.858 -4.322 -14.635 1.00 0.00 N ATOM 0 H HIS A 61 -3.760 -4.300 -9.385 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.407 -3.383 -11.029 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -4.192 -4.095 -11.754 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.700 -2.504 -12.299 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.401 -6.106 -13.362 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.082 -2.497 -13.462 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.464 -6.312 -15.057 1.00 0.00 H new ATOM 927 N TYR A 62 -1.700 -1.014 -10.146 1.00 0.00 N ATOM 928 CA TYR A 62 -1.966 0.377 -9.726 1.00 0.00 C ATOM 929 C TYR A 62 -1.841 1.244 -10.985 1.00 0.00 C ATOM 930 O TYR A 62 -0.754 1.451 -11.529 1.00 0.00 O ATOM 931 CB TYR A 62 -1.010 0.880 -8.633 1.00 0.00 C ATOM 932 CG TYR A 62 -1.543 1.926 -7.673 1.00 0.00 C ATOM 933 CD1 TYR A 62 -2.253 2.992 -8.130 1.00 0.00 C ATOM 934 CD2 TYR A 62 -1.191 1.866 -6.359 1.00 0.00 C ATOM 935 CE1 TYR A 62 -2.670 3.957 -7.273 1.00 0.00 C ATOM 936 CE2 TYR A 62 -1.593 2.843 -5.504 1.00 0.00 C ATOM 937 CZ TYR A 62 -2.330 3.887 -5.963 1.00 0.00 C ATOM 938 OH TYR A 62 -2.691 4.898 -5.116 1.00 0.00 O ATOM 0 H TYR A 62 -0.766 -1.180 -10.522 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.960 0.432 -9.283 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.683 0.020 -8.048 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.125 1.289 -9.120 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.486 3.071 -9.182 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.593 1.043 -5.997 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.271 4.779 -7.633 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.326 2.789 -4.459 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.182 5.584 -5.615 1.00 0.00 H new ATOM 948 N LEU A 63 -2.973 1.759 -11.435 1.00 0.00 N ATOM 949 CA LEU A 63 -2.994 2.765 -12.494 1.00 0.00 C ATOM 950 C LEU A 63 -3.127 4.166 -11.885 1.00 0.00 C ATOM 951 O LEU A 63 -4.209 4.590 -11.475 1.00 0.00 O ATOM 952 CB LEU A 63 -4.219 2.400 -13.349 1.00 0.00 C ATOM 953 CG LEU A 63 -3.931 1.425 -14.499 1.00 0.00 C ATOM 954 CD1 LEU A 63 -3.299 0.107 -14.042 1.00 0.00 C ATOM 955 CD2 LEU A 63 -5.261 1.120 -15.182 1.00 0.00 C ATOM 0 H LEU A 63 -3.895 1.498 -11.085 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.081 2.778 -13.089 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.979 1.963 -12.702 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.641 3.315 -13.764 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.211 1.898 -15.167 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.124 -0.532 -14.908 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.351 0.311 -13.544 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.972 -0.398 -13.349 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.096 0.428 -16.008 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.945 0.670 -14.462 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.694 2.044 -15.565 1.00 0.00 H new ATOM 967 N THR A 64 -2.021 4.905 -11.880 1.00 0.00 N ATOM 968 CA THR A 64 -2.076 6.347 -11.581 1.00 0.00 C ATOM 969 C THR A 64 -1.520 7.028 -12.845 1.00 0.00 C ATOM 970 O THR A 64 -0.413 6.703 -13.278 1.00 0.00 O ATOM 971 CB THR A 64 -1.261 6.718 -10.335 1.00 0.00 C ATOM 972 OG1 THR A 64 -1.723 5.961 -9.227 1.00 0.00 O ATOM 973 CG2 THR A 64 -1.416 8.205 -9.991 1.00 0.00 C ATOM 0 H THR A 64 -1.087 4.544 -12.075 1.00 0.00 H new ATOM 0 HA THR A 64 -3.091 6.669 -11.350 1.00 0.00 H new ATOM 0 HB THR A 64 -0.213 6.506 -10.546 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.536 5.011 -9.379 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.827 8.437 -9.104 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.066 8.810 -10.827 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.466 8.426 -9.797 1.00 0.00 H new ATOM 981 N PRO A 65 -2.288 7.887 -13.525 1.00 0.00 N ATOM 982 CA PRO A 65 -1.958 8.307 -14.894 1.00 0.00 C ATOM 983 C PRO A 65 -0.752 9.257 -14.998 1.00 0.00 C ATOM 984 O PRO A 65 0.377 8.799 -15.179 1.00 0.00 O ATOM 985 CB PRO A 65 -3.295 8.902 -15.361 1.00 0.00 C ATOM 986 CG PRO A 65 -3.982 9.370 -14.078 1.00 0.00 C ATOM 987 CD PRO A 65 -3.614 8.296 -13.066 1.00 0.00 C ATOM 0 HA PRO A 65 -1.606 7.493 -15.528 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.140 9.731 -16.052 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.897 8.159 -15.884 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.626 10.353 -13.768 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -5.062 9.448 -14.206 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.591 8.685 -12.048 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -4.322 7.467 -13.075 1.00 0.00 H new ATOM 995 N GLU A 66 -0.976 10.571 -14.971 1.00 0.00 N ATOM 996 CA GLU A 66 0.079 11.516 -15.379 1.00 0.00 C ATOM 997 C GLU A 66 0.895 12.106 -14.218 1.00 0.00 C ATOM 998 O GLU A 66 2.022 12.549 -14.441 1.00 0.00 O ATOM 999 CB GLU A 66 -0.550 12.663 -16.190 1.00 0.00 C ATOM 1000 CG GLU A 66 -1.235 12.212 -17.487 1.00 0.00 C ATOM 1001 CD GLU A 66 -0.262 11.583 -18.477 1.00 0.00 C ATOM 1002 OE1 GLU A 66 0.450 12.329 -19.183 1.00 0.00 O ATOM 1003 OE2 GLU A 66 -0.205 10.336 -18.556 1.00 0.00 O ATOM 0 H GLU A 66 -1.853 11.003 -14.680 1.00 0.00 H new ATOM 0 HA GLU A 66 0.782 10.938 -15.978 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.281 13.177 -15.566 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.226 13.388 -16.435 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.019 11.494 -17.248 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.719 13.069 -17.954 1.00 0.00 H new ATOM 1010 N ALA A 67 0.356 12.154 -12.999 1.00 0.00 N ATOM 1011 CA ALA A 67 1.026 12.907 -11.928 1.00 0.00 C ATOM 1012 C ALA A 67 1.824 11.985 -10.995 1.00 0.00 C ATOM 1013 O ALA A 67 1.569 11.906 -9.792 1.00 0.00 O ATOM 1014 CB ALA A 67 -0.042 13.691 -11.159 1.00 0.00 C ATOM 0 H ALA A 67 -0.515 11.697 -12.729 1.00 0.00 H new ATOM 0 HA ALA A 67 1.750 13.595 -12.365 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.430 14.259 -10.358 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.550 14.375 -11.838 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.767 12.997 -10.733 1.00 0.00 H new ATOM 1020 N GLN A 68 2.830 11.316 -11.553 1.00 0.00 N ATOM 1021 CA GLN A 68 3.797 10.577 -10.729 1.00 0.00 C ATOM 1022 C GLN A 68 5.148 11.291 -10.844 1.00 0.00 C ATOM 1023 O GLN A 68 5.914 11.061 -11.781 1.00 0.00 O ATOM 1024 CB GLN A 68 3.864 9.116 -11.199 1.00 0.00 C ATOM 1025 CG GLN A 68 4.765 8.262 -10.298 1.00 0.00 C ATOM 1026 CD GLN A 68 4.807 6.809 -10.759 1.00 0.00 C ATOM 1027 OE1 GLN A 68 5.278 6.492 -11.851 1.00 0.00 O ATOM 1028 NE2 GLN A 68 4.323 5.900 -9.931 1.00 0.00 N ATOM 0 H GLN A 68 3.000 11.267 -12.557 1.00 0.00 H new ATOM 0 HA GLN A 68 3.499 10.557 -9.681 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.859 8.693 -11.212 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.238 9.081 -12.222 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.774 8.673 -10.298 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.402 8.308 -9.271 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.937 6.184 -9.031 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.335 4.914 -10.192 1.00 0.00 H new ATOM 1037 N THR A 69 5.449 12.139 -9.864 1.00 0.00 N ATOM 1038 CA THR A 69 6.803 12.715 -9.759 1.00 0.00 C ATOM 1039 C THR A 69 7.375 12.430 -8.363 1.00 0.00 C ATOM 1040 O THR A 69 8.447 11.837 -8.238 1.00 0.00 O ATOM 1041 CB THR A 69 6.800 14.223 -10.077 1.00 0.00 C ATOM 1042 OG1 THR A 69 5.853 14.904 -9.262 1.00 0.00 O ATOM 1043 CG2 THR A 69 6.473 14.497 -11.547 1.00 0.00 C ATOM 0 H THR A 69 4.796 12.443 -9.142 1.00 0.00 H new ATOM 0 HA THR A 69 7.446 12.242 -10.501 1.00 0.00 H new ATOM 0 HB THR A 69 7.805 14.591 -9.869 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.271 15.151 -8.411 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.482 15.572 -11.727 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.218 14.017 -12.181 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.486 14.098 -11.781 1.00 0.00 H new ATOM 1051 N ASP A 70 6.689 12.885 -7.316 1.00 0.00 N ATOM 1052 CA ASP A 70 7.277 12.841 -5.962 1.00 0.00 C ATOM 1053 C ASP A 70 6.894 11.516 -5.274 1.00 0.00 C ATOM 1054 O ASP A 70 6.375 10.591 -5.902 1.00 0.00 O ATOM 1055 CB ASP A 70 6.861 14.067 -5.116 1.00 0.00 C ATOM 1056 CG ASP A 70 7.102 15.403 -5.818 1.00 0.00 C ATOM 1057 OD1 ASP A 70 8.268 15.849 -5.881 1.00 0.00 O ATOM 1058 OD2 ASP A 70 6.124 16.010 -6.307 1.00 0.00 O ATOM 0 H ASP A 70 5.750 13.280 -7.366 1.00 0.00 H new ATOM 0 HA ASP A 70 8.362 12.885 -6.053 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.804 13.983 -4.865 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.414 14.054 -4.177 1.00 0.00 H new ATOM 1063 N ILE A 71 7.128 11.432 -3.966 1.00 0.00 N ATOM 1064 CA ILE A 71 6.606 10.303 -3.173 1.00 0.00 C ATOM 1065 C ILE A 71 5.140 10.589 -2.790 1.00 0.00 C ATOM 1066 O ILE A 71 4.807 10.783 -1.621 1.00 0.00 O ATOM 1067 CB ILE A 71 7.562 10.069 -1.974 1.00 0.00 C ATOM 1068 CG1 ILE A 71 7.159 8.874 -1.091 1.00 0.00 C ATOM 1069 CG2 ILE A 71 7.718 11.309 -1.076 1.00 0.00 C ATOM 1070 CD1 ILE A 71 7.179 7.547 -1.844 1.00 0.00 C ATOM 0 H ILE A 71 7.665 12.116 -3.433 1.00 0.00 H new ATOM 0 HA ILE A 71 6.583 9.370 -3.737 1.00 0.00 H new ATOM 0 HB ILE A 71 8.519 9.847 -2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.836 8.813 -0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.159 9.044 -0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.399 11.081 -0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.120 12.135 -1.663 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.745 11.591 -0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.886 6.742 -1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.481 7.592 -2.680 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.184 7.357 -2.221 1.00 0.00 H new ATOM 1082 N LYS A 72 4.236 10.531 -3.770 1.00 0.00 N ATOM 1083 CA LYS A 72 2.795 10.585 -3.449 1.00 0.00 C ATOM 1084 C LYS A 72 2.094 9.234 -3.161 1.00 0.00 C ATOM 1085 O LYS A 72 0.894 9.114 -3.422 1.00 0.00 O ATOM 1086 CB LYS A 72 2.083 11.320 -4.599 1.00 0.00 C ATOM 1087 CG LYS A 72 2.510 12.790 -4.729 1.00 0.00 C ATOM 1088 CD LYS A 72 1.830 13.503 -5.903 1.00 0.00 C ATOM 1089 CE LYS A 72 0.324 13.681 -5.693 1.00 0.00 C ATOM 1090 NZ LYS A 72 -0.262 14.430 -6.814 1.00 0.00 N ATOM 0 H LYS A 72 4.457 10.449 -4.762 1.00 0.00 H new ATOM 0 HA LYS A 72 2.721 11.112 -2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.290 10.803 -5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.006 11.273 -4.441 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.273 13.316 -3.804 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.591 12.840 -4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.291 14.480 -6.046 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.001 12.934 -6.817 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.156 12.706 -5.608 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.140 14.210 -4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.284 14.544 -6.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.185 15.367 -6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.102 13.910 -7.700 1.00 0.00 H new ATOM 1104 N PHE A 73 2.743 8.246 -2.534 1.00 0.00 N ATOM 1105 CA PHE A 73 1.977 7.122 -1.962 1.00 0.00 C ATOM 1106 C PHE A 73 2.493 6.972 -0.530 1.00 0.00 C ATOM 1107 O PHE A 73 3.693 7.138 -0.298 1.00 0.00 O ATOM 1108 CB PHE A 73 2.214 5.881 -2.852 1.00 0.00 C ATOM 1109 CG PHE A 73 1.470 4.591 -2.510 1.00 0.00 C ATOM 1110 CD1 PHE A 73 0.157 4.616 -2.151 1.00 0.00 C ATOM 1111 CD2 PHE A 73 2.093 3.388 -2.668 1.00 0.00 C ATOM 1112 CE1 PHE A 73 -0.516 3.461 -1.920 1.00 0.00 C ATOM 1113 CE2 PHE A 73 1.402 2.233 -2.477 1.00 0.00 C ATOM 1114 CZ PHE A 73 0.117 2.271 -2.050 1.00 0.00 C ATOM 0 H PHE A 73 3.754 8.195 -2.410 1.00 0.00 H new ATOM 0 HA PHE A 73 0.898 7.271 -1.933 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.956 6.152 -3.876 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.282 5.662 -2.840 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.353 5.563 -2.049 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.136 3.353 -2.945 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.557 3.491 -1.632 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.879 1.283 -2.666 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.402 1.354 -1.814 1.00 0.00 H new ATOM 1124 N PRO A 74 1.682 6.535 0.439 1.00 0.00 N ATOM 1125 CA PRO A 74 2.205 6.355 1.790 1.00 0.00 C ATOM 1126 C PRO A 74 2.913 5.007 1.905 1.00 0.00 C ATOM 1127 O PRO A 74 2.525 4.024 1.269 1.00 0.00 O ATOM 1128 CB PRO A 74 0.942 6.433 2.648 1.00 0.00 C ATOM 1129 CG PRO A 74 -0.125 7.099 1.789 1.00 0.00 C ATOM 1130 CD PRO A 74 0.221 6.654 0.380 1.00 0.00 C ATOM 0 HA PRO A 74 2.952 7.090 2.090 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.623 5.438 2.960 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.125 7.009 3.555 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.127 6.780 2.075 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.097 8.184 1.885 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.254 5.707 0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.098 7.382 -0.366 1.00 0.00 H new ATOM 1138 N LYS A 75 3.922 4.940 2.763 1.00 0.00 N ATOM 1139 CA LYS A 75 4.494 3.629 3.120 1.00 0.00 C ATOM 1140 C LYS A 75 3.474 2.707 3.824 1.00 0.00 C ATOM 1141 O LYS A 75 3.461 1.493 3.612 1.00 0.00 O ATOM 1142 CB LYS A 75 5.754 3.798 3.981 1.00 0.00 C ATOM 1143 CG LYS A 75 6.887 4.500 3.223 1.00 0.00 C ATOM 1144 CD LYS A 75 8.163 4.568 4.063 1.00 0.00 C ATOM 1145 CE LYS A 75 9.297 5.241 3.286 1.00 0.00 C ATOM 1146 NZ LYS A 75 10.517 5.294 4.105 1.00 0.00 N ATOM 0 H LYS A 75 4.356 5.743 3.217 1.00 0.00 H new ATOM 0 HA LYS A 75 4.769 3.143 2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.507 4.372 4.874 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.096 2.819 4.316 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.089 3.967 2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.575 5.508 2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.969 5.121 4.982 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.464 3.562 4.355 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.493 4.691 2.366 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.001 6.249 2.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.278 5.753 3.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.330 5.838 4.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.807 4.328 4.359 1.00 0.00 H new ATOM 1160 N LYS A 76 2.622 3.284 4.674 1.00 0.00 N ATOM 1161 CA LYS A 76 1.606 2.497 5.395 1.00 0.00 C ATOM 1162 C LYS A 76 0.582 1.812 4.474 1.00 0.00 C ATOM 1163 O LYS A 76 0.097 0.729 4.803 1.00 0.00 O ATOM 1164 CB LYS A 76 0.875 3.396 6.403 1.00 0.00 C ATOM 1165 CG LYS A 76 1.805 3.916 7.506 1.00 0.00 C ATOM 1166 CD LYS A 76 1.047 4.780 8.518 1.00 0.00 C ATOM 1167 CE LYS A 76 1.984 5.294 9.612 1.00 0.00 C ATOM 1168 NZ LYS A 76 1.241 6.120 10.576 1.00 0.00 N ATOM 0 H LYS A 76 2.610 4.282 4.882 1.00 0.00 H new ATOM 0 HA LYS A 76 2.142 1.698 5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.432 4.242 5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.056 2.838 6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.268 3.074 8.020 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.610 4.499 7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.583 5.623 8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.242 4.198 8.967 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.449 4.453 10.126 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.788 5.879 9.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.890 6.462 11.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.818 6.932 10.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.489 5.551 11.014 1.00 0.00 H new ATOM 1182 N LEU A 77 0.281 2.383 3.306 1.00 0.00 N ATOM 1183 CA LEU A 77 -0.622 1.679 2.369 1.00 0.00 C ATOM 1184 C LEU A 77 0.108 0.539 1.639 1.00 0.00 C ATOM 1185 O LEU A 77 -0.518 -0.481 1.354 1.00 0.00 O ATOM 1186 CB LEU A 77 -1.275 2.584 1.307 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.124 3.731 1.856 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -2.882 4.442 0.732 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.137 3.258 2.901 1.00 0.00 C ATOM 0 H LEU A 77 0.626 3.289 2.988 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.417 1.292 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.489 3.004 0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.901 1.967 0.663 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.426 4.420 2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.477 5.253 1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.170 4.848 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.539 3.732 0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.715 4.110 3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.809 2.527 2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.610 2.799 3.738 1.00 0.00 H new ATOM 1201 N ILE A 78 1.416 0.636 1.395 1.00 0.00 N ATOM 1202 CA ILE A 78 2.188 -0.509 0.908 1.00 0.00 C ATOM 1203 C ILE A 78 2.218 -1.648 1.960 1.00 0.00 C ATOM 1204 O ILE A 78 2.187 -2.818 1.579 1.00 0.00 O ATOM 1205 CB ILE A 78 3.588 0.049 0.570 1.00 0.00 C ATOM 1206 CG1 ILE A 78 3.617 1.067 -0.574 1.00 0.00 C ATOM 1207 CG2 ILE A 78 4.577 -1.078 0.301 1.00 0.00 C ATOM 1208 CD1 ILE A 78 4.958 1.795 -0.712 1.00 0.00 C ATOM 0 H ILE A 78 1.960 1.489 1.525 1.00 0.00 H new ATOM 0 HA ILE A 78 1.743 -0.965 0.024 1.00 0.00 H new ATOM 0 HB ILE A 78 3.889 0.601 1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.392 0.556 -1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.828 1.802 -0.415 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.554 -0.656 0.066 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.658 -1.710 1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.228 -1.676 -0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.906 2.500 -1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.176 2.335 0.210 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.748 1.069 -0.902 1.00 0.00 H new ATOM 1220 N SER A 79 2.254 -1.345 3.264 1.00 0.00 N ATOM 1221 CA SER A 79 2.154 -2.407 4.282 1.00 0.00 C ATOM 1222 C SER A 79 0.761 -3.062 4.321 1.00 0.00 C ATOM 1223 O SER A 79 0.654 -4.279 4.474 1.00 0.00 O ATOM 1224 CB SER A 79 2.517 -1.813 5.646 1.00 0.00 C ATOM 1225 OG SER A 79 2.541 -2.832 6.635 1.00 0.00 O ATOM 0 H SER A 79 2.349 -0.400 3.636 1.00 0.00 H new ATOM 0 HA SER A 79 2.852 -3.202 4.019 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.491 -1.327 5.591 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.793 -1.046 5.921 1.00 0.00 H new ATOM 0 HG SER A 79 2.776 -2.441 7.502 1.00 0.00 H new ATOM 1231 N VAL A 80 -0.303 -2.275 4.170 1.00 0.00 N ATOM 1232 CA VAL A 80 -1.668 -2.838 4.072 1.00 0.00 C ATOM 1233 C VAL A 80 -1.863 -3.642 2.769 1.00 0.00 C ATOM 1234 O VAL A 80 -2.527 -4.681 2.781 1.00 0.00 O ATOM 1235 CB VAL A 80 -2.714 -1.710 4.212 1.00 0.00 C ATOM 1236 CG1 VAL A 80 -4.149 -2.227 4.040 1.00 0.00 C ATOM 1237 CG2 VAL A 80 -2.624 -1.040 5.589 1.00 0.00 C ATOM 0 H VAL A 80 -0.259 -1.258 4.112 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.810 -3.542 4.892 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.488 -0.994 3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.849 -1.399 4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.260 -2.671 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.358 -2.979 4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.372 -0.250 5.659 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.806 -1.782 6.367 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.630 -0.612 5.721 1.00 0.00 H new ATOM 1247 N LEU A 81 -1.286 -3.192 1.654 1.00 0.00 N ATOM 1248 CA LEU A 81 -1.300 -3.966 0.411 1.00 0.00 C ATOM 1249 C LEU A 81 -0.613 -5.336 0.577 1.00 0.00 C ATOM 1250 O LEU A 81 -1.146 -6.360 0.149 1.00 0.00 O ATOM 1251 CB LEU A 81 -0.583 -3.097 -0.640 1.00 0.00 C ATOM 1252 CG LEU A 81 -1.522 -2.403 -1.631 1.00 0.00 C ATOM 1253 CD1 LEU A 81 -2.171 -1.176 -0.991 1.00 0.00 C ATOM 1254 CD2 LEU A 81 -0.711 -1.948 -2.845 1.00 0.00 C ATOM 0 H LEU A 81 -0.803 -2.296 1.586 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.322 -4.192 0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.008 -2.339 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.115 -3.722 -1.196 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.302 -3.105 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.834 -0.698 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.746 -1.483 -0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.397 -0.472 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.370 -1.452 -3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.065 -1.253 -2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.249 -2.814 -3.319 1.00 0.00 H new ATOM 1266 N ALA A 82 0.562 -5.360 1.205 1.00 0.00 N ATOM 1267 CA ALA A 82 1.242 -6.625 1.513 1.00 0.00 C ATOM 1268 C ALA A 82 0.511 -7.513 2.537 1.00 0.00 C ATOM 1269 O ALA A 82 0.639 -8.737 2.491 1.00 0.00 O ATOM 1270 CB ALA A 82 2.623 -6.252 2.054 1.00 0.00 C ATOM 0 H ALA A 82 1.063 -4.526 1.510 1.00 0.00 H new ATOM 0 HA ALA A 82 1.281 -7.221 0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.174 -7.159 2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.170 -5.689 1.298 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.510 -5.642 2.950 1.00 0.00 H new ATOM 1276 N ASP A 83 -0.218 -6.916 3.480 1.00 0.00 N ATOM 1277 CA ASP A 83 -0.807 -7.704 4.584 1.00 0.00 C ATOM 1278 C ASP A 83 -2.141 -8.390 4.251 1.00 0.00 C ATOM 1279 O ASP A 83 -2.580 -9.300 4.955 1.00 0.00 O ATOM 1280 CB ASP A 83 -0.908 -6.809 5.829 1.00 0.00 C ATOM 1281 CG ASP A 83 -1.287 -7.574 7.092 1.00 0.00 C ATOM 1282 OD1 ASP A 83 -0.414 -8.261 7.666 1.00 0.00 O ATOM 1283 OD2 ASP A 83 -2.460 -7.491 7.518 1.00 0.00 O ATOM 0 H ASP A 83 -0.416 -5.916 3.511 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.136 -8.542 4.776 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.048 -6.310 5.988 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.648 -6.030 5.649 1.00 0.00 H new ATOM 1288 N SER A 84 -2.750 -8.004 3.142 1.00 0.00 N ATOM 1289 CA SER A 84 -3.802 -8.822 2.535 1.00 0.00 C ATOM 1290 C SER A 84 -3.210 -10.089 1.906 1.00 0.00 C ATOM 1291 O SER A 84 -3.753 -11.180 2.062 1.00 0.00 O ATOM 1292 CB SER A 84 -4.491 -7.965 1.472 1.00 0.00 C ATOM 1293 OG SER A 84 -5.173 -6.874 2.076 1.00 0.00 O ATOM 0 H SER A 84 -2.541 -7.139 2.643 1.00 0.00 H new ATOM 0 HA SER A 84 -4.518 -9.143 3.291 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.752 -7.592 0.763 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.196 -8.574 0.907 1.00 0.00 H new ATOM 0 HG SER A 84 -5.607 -6.335 1.382 1.00 0.00 H new ATOM 1299 N LEU A 85 -2.113 -9.950 1.171 1.00 0.00 N ATOM 1300 CA LEU A 85 -1.697 -11.005 0.251 1.00 0.00 C ATOM 1301 C LEU A 85 -0.622 -11.915 0.852 1.00 0.00 C ATOM 1302 O LEU A 85 0.043 -11.603 1.840 1.00 0.00 O ATOM 1303 CB LEU A 85 -1.140 -10.305 -0.999 1.00 0.00 C ATOM 1304 CG LEU A 85 -2.077 -9.271 -1.644 1.00 0.00 C ATOM 1305 CD1 LEU A 85 -1.399 -8.652 -2.868 1.00 0.00 C ATOM 1306 CD2 LEU A 85 -3.417 -9.891 -2.044 1.00 0.00 C ATOM 0 H LEU A 85 -1.504 -9.132 1.191 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.550 -11.644 0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.207 -9.809 -0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.896 -11.064 -1.742 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.280 -8.496 -0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.066 -7.920 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.475 -8.161 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.172 -9.434 -3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.051 -9.128 -2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.247 -10.693 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.910 -10.294 -1.159 1.00 0.00 H new ATOM 1318 N LYS A 86 -0.500 -13.081 0.232 1.00 0.00 N ATOM 1319 CA LYS A 86 0.322 -14.171 0.776 1.00 0.00 C ATOM 1320 C LYS A 86 1.578 -14.291 -0.120 1.00 0.00 C ATOM 1321 O LYS A 86 1.739 -13.493 -1.045 1.00 0.00 O ATOM 1322 CB LYS A 86 -0.553 -15.438 0.761 1.00 0.00 C ATOM 1323 CG LYS A 86 -1.702 -15.363 1.774 1.00 0.00 C ATOM 1324 CD LYS A 86 -2.556 -16.636 1.740 1.00 0.00 C ATOM 1325 CE LYS A 86 -3.689 -16.606 2.771 1.00 0.00 C ATOM 1326 NZ LYS A 86 -4.677 -15.564 2.451 1.00 0.00 N ATOM 0 H LYS A 86 -0.959 -13.304 -0.651 1.00 0.00 H new ATOM 0 HA LYS A 86 0.659 -14.002 1.799 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.962 -15.583 -0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.066 -16.307 0.981 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.298 -15.220 2.776 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.327 -14.497 1.556 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.979 -16.760 0.743 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.921 -17.502 1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.180 -17.578 2.802 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.276 -16.425 3.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.496 -15.656 3.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.246 -14.626 2.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.988 -15.672 1.465 1.00 0.00 H new ATOM 1340 N PRO A 87 2.508 -15.231 0.108 1.00 0.00 N ATOM 1341 CA PRO A 87 3.803 -15.220 -0.600 1.00 0.00 C ATOM 1342 C PRO A 87 3.838 -15.226 -2.146 1.00 0.00 C ATOM 1343 O PRO A 87 4.895 -14.965 -2.719 1.00 0.00 O ATOM 1344 CB PRO A 87 4.489 -16.450 -0.009 1.00 0.00 C ATOM 1345 CG PRO A 87 4.011 -16.461 1.442 1.00 0.00 C ATOM 1346 CD PRO A 87 2.558 -15.992 1.365 1.00 0.00 C ATOM 0 HA PRO A 87 4.283 -14.254 -0.443 1.00 0.00 H new ATOM 0 HB2 PRO A 87 4.201 -17.361 -0.533 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.574 -16.374 -0.074 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.085 -17.458 1.877 1.00 0.00 H new ATOM 0 HG3 PRO A 87 4.611 -15.796 2.063 1.00 0.00 H new ATOM 0 HD2 PRO A 87 1.865 -16.833 1.352 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.291 -15.372 2.220 1.00 0.00 H new ATOM 1354 N ASN A 88 2.731 -15.495 -2.840 1.00 0.00 N ATOM 1355 CA ASN A 88 2.693 -15.267 -4.304 1.00 0.00 C ATOM 1356 C ASN A 88 1.936 -13.972 -4.664 1.00 0.00 C ATOM 1357 O ASN A 88 1.319 -13.883 -5.728 1.00 0.00 O ATOM 1358 CB ASN A 88 2.097 -16.484 -5.044 1.00 0.00 C ATOM 1359 CG ASN A 88 2.803 -17.799 -4.721 1.00 0.00 C ATOM 1360 OD1 ASN A 88 2.259 -18.674 -4.048 1.00 0.00 O ATOM 1361 ND2 ASN A 88 4.026 -17.958 -5.196 1.00 0.00 N ATOM 0 H ASN A 88 1.868 -15.860 -2.437 1.00 0.00 H new ATOM 0 HA ASN A 88 3.723 -15.143 -4.637 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.042 -16.575 -4.787 1.00 0.00 H new ATOM 0 HB3 ASN A 88 2.149 -16.307 -6.118 1.00 0.00 H new ATOM 0 HD21 ASN A 88 4.539 -18.819 -5.007 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.457 -17.219 -5.752 1.00 0.00 H new ATOM 1368 N GLY A 89 2.017 -12.947 -3.816 1.00 0.00 N ATOM 1369 CA GLY A 89 1.496 -11.620 -4.175 1.00 0.00 C ATOM 1370 C GLY A 89 2.335 -11.060 -5.307 1.00 0.00 C ATOM 1371 O GLY A 89 3.540 -11.301 -5.343 1.00 0.00 O ATOM 0 H GLY A 89 2.432 -13.004 -2.886 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.452 -11.693 -4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.531 -10.954 -3.313 1.00 0.00 H new ATOM 1375 N SER A 90 1.726 -10.371 -6.262 1.00 0.00 N ATOM 1376 CA SER A 90 2.501 -9.991 -7.446 1.00 0.00 C ATOM 1377 C SER A 90 2.014 -8.625 -7.920 1.00 0.00 C ATOM 1378 O SER A 90 0.929 -8.457 -8.480 1.00 0.00 O ATOM 1379 CB SER A 90 2.373 -11.052 -8.548 1.00 0.00 C ATOM 1380 OG SER A 90 1.020 -11.206 -8.957 1.00 0.00 O ATOM 0 H SER A 90 0.750 -10.074 -6.252 1.00 0.00 H new ATOM 0 HA SER A 90 3.560 -9.928 -7.195 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.985 -10.767 -9.404 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.757 -12.005 -8.185 1.00 0.00 H new ATOM 0 HG SER A 90 0.478 -11.495 -8.193 1.00 0.00 H new ATOM 1386 N LEU A 91 2.863 -7.648 -7.675 1.00 0.00 N ATOM 1387 CA LEU A 91 2.537 -6.254 -7.907 1.00 0.00 C ATOM 1388 C LEU A 91 2.936 -5.892 -9.336 1.00 0.00 C ATOM 1389 O LEU A 91 3.979 -6.328 -9.822 1.00 0.00 O ATOM 1390 CB LEU A 91 3.452 -5.476 -6.933 1.00 0.00 C ATOM 1391 CG LEU A 91 2.865 -4.120 -6.561 1.00 0.00 C ATOM 1392 CD1 LEU A 91 2.444 -4.074 -5.089 1.00 0.00 C ATOM 1393 CD2 LEU A 91 3.891 -3.017 -6.816 1.00 0.00 C ATOM 0 H LEU A 91 3.803 -7.798 -7.308 1.00 0.00 H new ATOM 0 HA LEU A 91 1.478 -6.037 -7.764 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.604 -6.066 -6.029 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.431 -5.334 -7.390 1.00 0.00 H new ATOM 0 HG LEU A 91 1.983 -3.964 -7.182 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.030 -3.092 -4.859 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.690 -4.839 -4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.312 -4.259 -4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.462 -2.052 -6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.780 -3.200 -6.212 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.164 -3.011 -7.871 1.00 0.00 H new ATOM 1405 N ILE A 92 2.152 -5.057 -10.007 1.00 0.00 N ATOM 1406 CA ILE A 92 2.633 -4.468 -11.263 1.00 0.00 C ATOM 1407 C ILE A 92 2.406 -2.974 -11.074 1.00 0.00 C ATOM 1408 O ILE A 92 1.321 -2.450 -11.337 1.00 0.00 O ATOM 1409 CB ILE A 92 1.879 -4.992 -12.492 1.00 0.00 C ATOM 1410 CG1 ILE A 92 2.088 -6.491 -12.777 1.00 0.00 C ATOM 1411 CG2 ILE A 92 2.279 -4.217 -13.752 1.00 0.00 C ATOM 1412 CD1 ILE A 92 1.236 -7.419 -11.910 1.00 0.00 C ATOM 0 H ILE A 92 1.214 -4.776 -9.722 1.00 0.00 H new ATOM 0 HA ILE A 92 3.675 -4.724 -11.455 1.00 0.00 H new ATOM 0 HB ILE A 92 0.827 -4.843 -12.248 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.863 -6.685 -13.826 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.140 -6.735 -12.626 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.731 -4.608 -14.609 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.042 -3.161 -13.620 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.349 -4.330 -13.924 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.444 -8.456 -12.174 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.476 -7.257 -10.859 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.180 -7.206 -12.078 1.00 0.00 H new ATOM 1424 N GLY A 93 3.409 -2.323 -10.503 1.00 0.00 N ATOM 1425 CA GLY A 93 3.117 -1.035 -9.873 1.00 0.00 C ATOM 1426 C GLY A 93 4.139 0.100 -9.957 1.00 0.00 C ATOM 1427 O GLY A 93 3.996 0.970 -10.818 1.00 0.00 O ATOM 0 H GLY A 93 4.379 -2.637 -10.459 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.185 -0.666 -10.302 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.928 -1.225 -8.816 1.00 0.00 H new ATOM 1431 N LEU A 94 5.116 0.188 -9.052 1.00 0.00 N ATOM 1432 CA LEU A 94 5.595 1.531 -8.674 1.00 0.00 C ATOM 1433 C LEU A 94 7.073 1.727 -9.094 1.00 0.00 C ATOM 1434 O LEU A 94 7.735 0.811 -9.580 1.00 0.00 O ATOM 1435 CB LEU A 94 5.505 1.725 -7.142 1.00 0.00 C ATOM 1436 CG LEU A 94 4.289 1.344 -6.303 1.00 0.00 C ATOM 1437 CD1 LEU A 94 2.998 1.447 -7.038 1.00 0.00 C ATOM 1438 CD2 LEU A 94 4.441 0.027 -5.557 1.00 0.00 C ATOM 0 H LEU A 94 5.572 -0.598 -8.588 1.00 0.00 H new ATOM 0 HA LEU A 94 4.964 2.258 -9.185 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.350 1.183 -6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.681 2.785 -6.959 1.00 0.00 H new ATOM 0 HG LEU A 94 4.247 2.110 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.179 1.161 -6.378 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.851 2.474 -7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.017 0.782 -7.902 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.536 -0.173 -4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.604 -0.779 -6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.293 0.089 -4.879 1.00 0.00 H new ATOM 1450 N SER A 95 7.557 2.971 -8.997 1.00 0.00 N ATOM 1451 CA SER A 95 8.764 3.396 -9.747 1.00 0.00 C ATOM 1452 C SER A 95 10.023 3.513 -8.849 1.00 0.00 C ATOM 1453 O SER A 95 10.186 2.726 -7.917 1.00 0.00 O ATOM 1454 CB SER A 95 8.431 4.650 -10.587 1.00 0.00 C ATOM 1455 OG SER A 95 7.388 4.348 -11.505 1.00 0.00 O ATOM 0 H SER A 95 7.143 3.700 -8.416 1.00 0.00 H new ATOM 0 HA SER A 95 9.047 2.614 -10.452 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.128 5.468 -9.933 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.317 4.985 -11.126 1.00 0.00 H new ATOM 0 HG SER A 95 6.751 5.092 -11.532 1.00 0.00 H new ATOM 1461 N ASP A 96 10.963 4.416 -9.162 1.00 0.00 N ATOM 1462 CA ASP A 96 12.322 4.349 -8.579 1.00 0.00 C ATOM 1463 C ASP A 96 12.453 4.592 -7.069 1.00 0.00 C ATOM 1464 O ASP A 96 13.187 3.854 -6.412 1.00 0.00 O ATOM 1465 CB ASP A 96 13.233 5.341 -9.316 1.00 0.00 C ATOM 1466 CG ASP A 96 13.424 4.996 -10.791 1.00 0.00 C ATOM 1467 OD1 ASP A 96 14.243 4.105 -11.100 1.00 0.00 O ATOM 1468 OD2 ASP A 96 12.754 5.616 -11.646 1.00 0.00 O ATOM 0 H ASP A 96 10.817 5.193 -9.806 1.00 0.00 H new ATOM 0 HA ASP A 96 12.615 3.308 -8.714 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.810 6.342 -9.235 1.00 0.00 H new ATOM 0 HB3 ASP A 96 14.206 5.365 -8.826 1.00 0.00 H new ATOM 1473 N ILE A 97 11.773 5.580 -6.482 1.00 0.00 N ATOM 1474 CA ILE A 97 11.731 5.661 -4.993 1.00 0.00 C ATOM 1475 C ILE A 97 11.144 4.362 -4.396 1.00 0.00 C ATOM 1476 O ILE A 97 11.524 3.832 -3.339 1.00 0.00 O ATOM 1477 CB ILE A 97 10.896 6.863 -4.476 1.00 0.00 C ATOM 1478 CG1 ILE A 97 11.031 8.092 -5.385 1.00 0.00 C ATOM 1479 CG2 ILE A 97 11.303 7.186 -3.032 1.00 0.00 C ATOM 1480 CD1 ILE A 97 10.241 9.312 -4.906 1.00 0.00 C ATOM 0 H ILE A 97 11.261 6.312 -6.975 1.00 0.00 H new ATOM 0 HA ILE A 97 12.763 5.801 -4.670 1.00 0.00 H new ATOM 0 HB ILE A 97 9.843 6.583 -4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 97 12.085 8.361 -5.460 1.00 0.00 H new ATOM 0 HG13 ILE A 97 10.697 7.827 -6.388 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.717 8.030 -2.669 1.00 0.00 H new ATOM 0 HG22 ILE A 97 11.119 6.318 -2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 97 12.363 7.440 -3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.389 10.138 -5.602 1.00 0.00 H new ATOM 0 HD12 ILE A 97 9.181 9.063 -4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.590 9.605 -3.916 1.00 0.00 H new ATOM 1492 N TYR A 98 10.200 3.820 -5.154 1.00 0.00 N ATOM 1493 CA TYR A 98 9.472 2.653 -4.698 1.00 0.00 C ATOM 1494 C TYR A 98 10.332 1.367 -4.841 1.00 0.00 C ATOM 1495 O TYR A 98 10.011 0.329 -4.273 1.00 0.00 O ATOM 1496 CB TYR A 98 8.125 2.644 -5.425 1.00 0.00 C ATOM 1497 CG TYR A 98 7.354 3.950 -5.275 1.00 0.00 C ATOM 1498 CD1 TYR A 98 6.615 4.168 -4.155 1.00 0.00 C ATOM 1499 CD2 TYR A 98 7.406 4.905 -6.245 1.00 0.00 C ATOM 1500 CE1 TYR A 98 5.873 5.296 -4.040 1.00 0.00 C ATOM 1501 CE2 TYR A 98 6.658 6.034 -6.132 1.00 0.00 C ATOM 1502 CZ TYR A 98 5.879 6.223 -5.035 1.00 0.00 C ATOM 1503 OH TYR A 98 5.124 7.361 -4.919 1.00 0.00 O ATOM 0 H TYR A 98 9.926 4.166 -6.073 1.00 0.00 H new ATOM 0 HA TYR A 98 9.259 2.687 -3.630 1.00 0.00 H new ATOM 0 HB2 TYR A 98 8.292 2.448 -6.484 1.00 0.00 H new ATOM 0 HB3 TYR A 98 7.517 1.825 -5.041 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.619 3.441 -3.356 1.00 0.00 H new ATOM 0 HD2 TYR A 98 8.043 4.765 -7.106 1.00 0.00 H new ATOM 0 HE1 TYR A 98 5.275 5.459 -3.156 1.00 0.00 H new ATOM 0 HE2 TYR A 98 6.683 6.780 -6.913 1.00 0.00 H new ATOM 0 HH TYR A 98 5.245 7.916 -5.717 1.00 0.00 H new ATOM 1513 N LYS A 99 11.475 1.446 -5.529 1.00 0.00 N ATOM 1514 CA LYS A 99 12.437 0.334 -5.602 1.00 0.00 C ATOM 1515 C LYS A 99 13.038 -0.005 -4.228 1.00 0.00 C ATOM 1516 O LYS A 99 12.990 -1.153 -3.786 1.00 0.00 O ATOM 1517 CB LYS A 99 13.528 0.733 -6.609 1.00 0.00 C ATOM 1518 CG LYS A 99 14.506 -0.403 -6.922 1.00 0.00 C ATOM 1519 CD LYS A 99 15.622 0.071 -7.856 1.00 0.00 C ATOM 1520 CE LYS A 99 16.586 -1.070 -8.186 1.00 0.00 C ATOM 1521 NZ LYS A 99 17.648 -0.596 -9.086 1.00 0.00 N ATOM 0 H LYS A 99 11.761 2.275 -6.049 1.00 0.00 H new ATOM 0 HA LYS A 99 11.927 -0.572 -5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 99 13.056 1.062 -7.535 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.084 1.584 -6.214 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.939 -0.780 -5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.969 -1.232 -7.383 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.188 0.462 -8.776 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.169 0.889 -7.388 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.025 -1.461 -7.268 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.042 -1.891 -8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.296 -1.380 -9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.224 -0.244 -9.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.176 0.172 -8.625 1.00 0.00 H new ATOM 1535 N VAL A 100 13.584 0.997 -3.540 1.00 0.00 N ATOM 1536 CA VAL A 100 14.053 0.796 -2.157 1.00 0.00 C ATOM 1537 C VAL A 100 12.882 0.467 -1.212 1.00 0.00 C ATOM 1538 O VAL A 100 13.047 -0.315 -0.273 1.00 0.00 O ATOM 1539 CB VAL A 100 14.834 2.042 -1.683 1.00 0.00 C ATOM 1540 CG1 VAL A 100 15.368 1.865 -0.255 1.00 0.00 C ATOM 1541 CG2 VAL A 100 16.025 2.345 -2.601 1.00 0.00 C ATOM 0 H VAL A 100 13.714 1.941 -3.903 1.00 0.00 H new ATOM 0 HA VAL A 100 14.726 -0.061 -2.136 1.00 0.00 H new ATOM 0 HB VAL A 100 14.126 2.870 -1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 100 15.912 2.761 0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 100 14.534 1.702 0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 100 16.038 1.006 -0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 100 16.550 3.228 -2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 100 16.706 1.494 -2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 100 15.666 2.529 -3.614 1.00 0.00 H new ATOM 1551 N ASP A 101 11.691 1.023 -1.458 1.00 0.00 N ATOM 1552 CA ASP A 101 10.515 0.606 -0.686 1.00 0.00 C ATOM 1553 C ASP A 101 10.180 -0.886 -0.866 1.00 0.00 C ATOM 1554 O ASP A 101 9.925 -1.580 0.115 1.00 0.00 O ATOM 1555 CB ASP A 101 9.331 1.441 -1.161 1.00 0.00 C ATOM 1556 CG ASP A 101 8.883 2.493 -0.154 1.00 0.00 C ATOM 1557 OD1 ASP A 101 8.204 2.130 0.830 1.00 0.00 O ATOM 1558 OD2 ASP A 101 9.208 3.686 -0.341 1.00 0.00 O ATOM 0 H ASP A 101 11.517 1.740 -2.162 1.00 0.00 H new ATOM 0 HA ASP A 101 10.728 0.758 0.372 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.597 1.935 -2.096 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.493 0.778 -1.378 1.00 0.00 H new ATOM 1563 N ALA A 102 10.180 -1.388 -2.106 1.00 0.00 N ATOM 1564 CA ALA A 102 9.989 -2.824 -2.356 1.00 0.00 C ATOM 1565 C ALA A 102 11.027 -3.675 -1.614 1.00 0.00 C ATOM 1566 O ALA A 102 10.701 -4.707 -1.031 1.00 0.00 O ATOM 1567 CB ALA A 102 10.180 -3.047 -3.854 1.00 0.00 C ATOM 0 H ALA A 102 10.309 -0.827 -2.948 1.00 0.00 H new ATOM 0 HA ALA A 102 8.999 -3.117 -2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.046 -4.104 -4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.446 -2.460 -4.406 1.00 0.00 H new ATOM 0 HB3 ALA A 102 11.184 -2.737 -4.143 1.00 0.00 H new ATOM 1573 N LEU A 103 12.284 -3.231 -1.632 1.00 0.00 N ATOM 1574 CA LEU A 103 13.366 -3.959 -0.947 1.00 0.00 C ATOM 1575 C LEU A 103 13.085 -4.158 0.548 1.00 0.00 C ATOM 1576 O LEU A 103 13.231 -5.252 1.093 1.00 0.00 O ATOM 1577 CB LEU A 103 14.671 -3.157 -1.137 1.00 0.00 C ATOM 1578 CG LEU A 103 15.916 -4.029 -1.362 1.00 0.00 C ATOM 1579 CD1 LEU A 103 17.105 -3.135 -1.724 1.00 0.00 C ATOM 1580 CD2 LEU A 103 16.272 -4.863 -0.128 1.00 0.00 C ATOM 0 H LEU A 103 12.582 -2.379 -2.107 1.00 0.00 H new ATOM 0 HA LEU A 103 13.447 -4.955 -1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 103 14.552 -2.486 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.832 -2.532 -0.258 1.00 0.00 H new ATOM 0 HG LEU A 103 15.690 -4.719 -2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 103 17.989 -3.752 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 103 16.880 -2.581 -2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 103 17.294 -2.434 -0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 103 17.158 -5.462 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 103 16.472 -4.200 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 103 15.439 -5.521 0.119 1.00 0.00 H new ATOM 1592 N ILE A 104 12.715 -3.069 1.211 1.00 0.00 N ATOM 1593 CA ILE A 104 12.615 -3.067 2.679 1.00 0.00 C ATOM 1594 C ILE A 104 11.315 -3.695 3.208 1.00 0.00 C ATOM 1595 O ILE A 104 11.309 -4.380 4.231 1.00 0.00 O ATOM 1596 CB ILE A 104 12.852 -1.612 3.107 1.00 0.00 C ATOM 1597 CG1 ILE A 104 13.485 -1.559 4.507 1.00 0.00 C ATOM 1598 CG2 ILE A 104 11.599 -0.725 3.028 1.00 0.00 C ATOM 1599 CD1 ILE A 104 14.006 -0.168 4.873 1.00 0.00 C ATOM 0 H ILE A 104 12.480 -2.181 0.768 1.00 0.00 H new ATOM 0 HA ILE A 104 13.366 -3.715 3.131 1.00 0.00 H new ATOM 0 HB ILE A 104 13.549 -1.192 2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 104 12.747 -1.871 5.246 1.00 0.00 H new ATOM 0 HG13 ILE A 104 14.307 -2.274 4.556 1.00 0.00 H new ATOM 0 HG21 ILE A 104 11.849 0.287 3.346 1.00 0.00 H new ATOM 0 HG22 ILE A 104 11.233 -0.702 2.001 1.00 0.00 H new ATOM 0 HG23 ILE A 104 10.825 -1.130 3.680 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.441 -0.194 5.872 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.766 0.137 4.154 1.00 0.00 H new ATOM 0 HD13 ILE A 104 13.182 0.546 4.854 1.00 0.00 H new ATOM 1611 N ASN A 105 10.231 -3.505 2.469 1.00 0.00 N ATOM 1612 CA ASN A 105 8.956 -4.132 2.780 1.00 0.00 C ATOM 1613 C ASN A 105 8.929 -5.641 2.510 1.00 0.00 C ATOM 1614 O ASN A 105 8.041 -6.323 3.023 1.00 0.00 O ATOM 1615 CB ASN A 105 7.974 -3.387 1.861 1.00 0.00 C ATOM 1616 CG ASN A 105 7.405 -2.121 2.496 1.00 0.00 C ATOM 1617 OD1 ASN A 105 7.878 -1.010 2.259 1.00 0.00 O ATOM 1618 ND2 ASN A 105 6.376 -2.271 3.313 1.00 0.00 N ATOM 0 H ASN A 105 10.211 -2.913 1.639 1.00 0.00 H new ATOM 0 HA ASN A 105 8.719 -4.058 3.841 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.482 -3.124 0.933 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.154 -4.055 1.598 1.00 0.00 H new ATOM 0 HD21 ASN A 105 5.958 -1.456 3.761 1.00 0.00 H new ATOM 0 HD22 ASN A 105 6.000 -3.202 3.495 1.00 0.00 H new ATOM 1625 N GLY A 106 9.862 -6.183 1.725 1.00 0.00 N ATOM 1626 CA GLY A 106 9.860 -7.638 1.503 1.00 0.00 C ATOM 1627 C GLY A 106 9.306 -8.015 0.128 1.00 0.00 C ATOM 1628 O GLY A 106 8.762 -9.105 -0.055 1.00 0.00 O ATOM 0 H GLY A 106 10.601 -5.667 1.248 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.877 -8.019 1.600 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.264 -8.121 2.277 1.00 0.00 H new ATOM 1632 N PHE A 107 9.481 -7.127 -0.841 1.00 0.00 N ATOM 1633 CA PHE A 107 9.044 -7.404 -2.216 1.00 0.00 C ATOM 1634 C PHE A 107 10.302 -7.673 -3.058 1.00 0.00 C ATOM 1635 O PHE A 107 11.422 -7.294 -2.711 1.00 0.00 O ATOM 1636 CB PHE A 107 8.239 -6.249 -2.838 1.00 0.00 C ATOM 1637 CG PHE A 107 6.849 -6.007 -2.273 1.00 0.00 C ATOM 1638 CD1 PHE A 107 5.773 -6.637 -2.824 1.00 0.00 C ATOM 1639 CD2 PHE A 107 6.662 -5.076 -1.303 1.00 0.00 C ATOM 1640 CE1 PHE A 107 4.521 -6.368 -2.365 1.00 0.00 C ATOM 1641 CE2 PHE A 107 5.410 -4.808 -0.843 1.00 0.00 C ATOM 1642 CZ PHE A 107 4.342 -5.459 -1.372 1.00 0.00 C ATOM 0 H PHE A 107 9.918 -6.215 -0.710 1.00 0.00 H new ATOM 0 HA PHE A 107 8.376 -8.265 -2.198 1.00 0.00 H new ATOM 0 HB2 PHE A 107 8.817 -5.332 -2.726 1.00 0.00 H new ATOM 0 HB3 PHE A 107 8.144 -6.437 -3.907 1.00 0.00 H new ATOM 0 HD1 PHE A 107 5.914 -7.349 -3.624 1.00 0.00 H new ATOM 0 HD2 PHE A 107 7.510 -4.546 -0.895 1.00 0.00 H new ATOM 0 HE1 PHE A 107 3.669 -6.878 -2.790 1.00 0.00 H new ATOM 0 HE2 PHE A 107 5.266 -4.079 -0.059 1.00 0.00 H new ATOM 0 HZ PHE A 107 3.348 -5.253 -1.002 1.00 0.00 H new ATOM 1652 N GLU A 108 10.090 -8.335 -4.187 1.00 0.00 N ATOM 1653 CA GLU A 108 11.198 -8.766 -5.047 1.00 0.00 C ATOM 1654 C GLU A 108 10.942 -8.259 -6.469 1.00 0.00 C ATOM 1655 O GLU A 108 10.077 -8.743 -7.199 1.00 0.00 O ATOM 1656 CB GLU A 108 11.336 -10.296 -5.019 1.00 0.00 C ATOM 1657 CG GLU A 108 12.577 -10.768 -5.786 1.00 0.00 C ATOM 1658 CD GLU A 108 12.707 -12.285 -5.768 1.00 0.00 C ATOM 1659 OE1 GLU A 108 12.107 -12.950 -6.639 1.00 0.00 O ATOM 1660 OE2 GLU A 108 13.412 -12.820 -4.886 1.00 0.00 O ATOM 0 H GLU A 108 9.165 -8.588 -4.534 1.00 0.00 H new ATOM 0 HA GLU A 108 12.136 -8.348 -4.682 1.00 0.00 H new ATOM 0 HB2 GLU A 108 11.396 -10.637 -3.985 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.445 -10.750 -5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.522 -10.420 -6.817 1.00 0.00 H new ATOM 0 HG3 GLU A 108 13.469 -10.321 -5.346 1.00 0.00 H new ATOM 1667 N ILE A 109 11.738 -7.270 -6.841 1.00 0.00 N ATOM 1668 CA ILE A 109 11.586 -6.560 -8.104 1.00 0.00 C ATOM 1669 C ILE A 109 12.279 -7.286 -9.254 1.00 0.00 C ATOM 1670 O ILE A 109 13.504 -7.410 -9.324 1.00 0.00 O ATOM 1671 CB ILE A 109 12.161 -5.165 -7.865 1.00 0.00 C ATOM 1672 CG1 ILE A 109 11.168 -4.262 -7.141 1.00 0.00 C ATOM 1673 CG2 ILE A 109 12.566 -4.430 -9.130 1.00 0.00 C ATOM 1674 CD1 ILE A 109 11.808 -3.000 -6.575 1.00 0.00 C ATOM 0 H ILE A 109 12.514 -6.933 -6.272 1.00 0.00 H new ATOM 0 HA ILE A 109 10.540 -6.504 -8.406 1.00 0.00 H new ATOM 0 HB ILE A 109 13.050 -5.356 -7.263 1.00 0.00 H new ATOM 0 HG12 ILE A 109 10.373 -3.980 -7.831 1.00 0.00 H new ATOM 0 HG13 ILE A 109 10.703 -4.821 -6.329 1.00 0.00 H new ATOM 0 HG21 ILE A 109 12.964 -3.449 -8.869 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.330 -5.003 -9.655 1.00 0.00 H new ATOM 0 HG23 ILE A 109 11.696 -4.309 -9.775 1.00 0.00 H new ATOM 0 HD11 ILE A 109 11.049 -2.401 -6.073 1.00 0.00 H new ATOM 0 HD12 ILE A 109 12.585 -3.275 -5.861 1.00 0.00 H new ATOM 0 HD13 ILE A 109 12.249 -2.421 -7.386 1.00 0.00 H new ATOM 1686 N ILE A 110 11.433 -7.790 -10.126 1.00 0.00 N ATOM 1687 CA ILE A 110 11.916 -8.314 -11.408 1.00 0.00 C ATOM 1688 C ILE A 110 11.481 -7.342 -12.521 1.00 0.00 C ATOM 1689 O ILE A 110 10.355 -6.834 -12.542 1.00 0.00 O ATOM 1690 CB ILE A 110 11.463 -9.768 -11.641 1.00 0.00 C ATOM 1691 CG1 ILE A 110 9.938 -9.954 -11.713 1.00 0.00 C ATOM 1692 CG2 ILE A 110 12.091 -10.689 -10.584 1.00 0.00 C ATOM 1693 CD1 ILE A 110 9.521 -11.382 -12.073 1.00 0.00 C ATOM 0 H ILE A 110 10.425 -7.853 -9.986 1.00 0.00 H new ATOM 0 HA ILE A 110 13.005 -8.367 -11.408 1.00 0.00 H new ATOM 0 HB ILE A 110 11.824 -10.047 -12.631 1.00 0.00 H new ATOM 0 HG12 ILE A 110 9.500 -9.686 -10.752 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.529 -9.266 -12.453 1.00 0.00 H new ATOM 0 HG21 ILE A 110 11.766 -11.715 -10.756 1.00 0.00 H new ATOM 0 HG22 ILE A 110 13.177 -10.636 -10.655 1.00 0.00 H new ATOM 0 HG23 ILE A 110 11.776 -10.370 -9.590 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.433 -11.446 -12.107 1.00 0.00 H new ATOM 0 HD12 ILE A 110 9.931 -11.646 -13.048 1.00 0.00 H new ATOM 0 HD13 ILE A 110 9.901 -12.073 -11.320 1.00 0.00 H new ATOM 1705 N ASN A 111 12.420 -7.047 -13.417 1.00 0.00 N ATOM 1706 CA ASN A 111 12.208 -6.000 -14.426 1.00 0.00 C ATOM 1707 C ASN A 111 11.960 -6.618 -15.800 1.00 0.00 C ATOM 1708 O ASN A 111 12.859 -7.001 -16.550 1.00 0.00 O ATOM 1709 CB ASN A 111 13.406 -5.062 -14.466 1.00 0.00 C ATOM 1710 CG ASN A 111 13.262 -3.905 -15.457 1.00 0.00 C ATOM 1711 OD1 ASN A 111 12.311 -3.126 -15.414 1.00 0.00 O ATOM 1712 ND2 ASN A 111 14.208 -3.779 -16.370 1.00 0.00 N ATOM 0 H ASN A 111 13.327 -7.510 -13.469 1.00 0.00 H new ATOM 0 HA ASN A 111 11.324 -5.424 -14.151 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.567 -4.654 -13.468 1.00 0.00 H new ATOM 0 HB3 ASN A 111 14.296 -5.637 -14.723 1.00 0.00 H new ATOM 0 HD21 ASN A 111 14.158 -3.026 -17.056 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.989 -4.435 -16.389 1.00 0.00 H new ATOM 1719 N GLU A 112 10.682 -6.641 -16.105 1.00 0.00 N ATOM 1720 CA GLU A 112 10.213 -6.929 -17.470 1.00 0.00 C ATOM 1721 C GLU A 112 9.470 -5.679 -17.984 1.00 0.00 C ATOM 1722 O GLU A 112 9.211 -4.761 -17.201 1.00 0.00 O ATOM 1723 CB GLU A 112 9.268 -8.146 -17.429 1.00 0.00 C ATOM 1724 CG GLU A 112 9.962 -9.456 -17.028 1.00 0.00 C ATOM 1725 CD GLU A 112 11.002 -9.899 -18.049 1.00 0.00 C ATOM 1726 OE1 GLU A 112 10.614 -10.408 -19.124 1.00 0.00 O ATOM 1727 OE2 GLU A 112 12.215 -9.742 -17.783 1.00 0.00 O ATOM 0 H GLU A 112 9.935 -6.465 -15.433 1.00 0.00 H new ATOM 0 HA GLU A 112 11.045 -7.161 -18.135 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.460 -7.944 -16.726 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.812 -8.273 -18.411 1.00 0.00 H new ATOM 0 HG2 GLU A 112 10.441 -9.328 -16.058 1.00 0.00 H new ATOM 0 HG3 GLU A 112 9.213 -10.240 -16.913 1.00 0.00 H new ATOM 1734 N PRO A 113 9.080 -5.588 -19.268 1.00 0.00 N ATOM 1735 CA PRO A 113 8.396 -4.382 -19.778 1.00 0.00 C ATOM 1736 C PRO A 113 7.101 -3.905 -19.088 1.00 0.00 C ATOM 1737 O PRO A 113 6.620 -2.800 -19.336 1.00 0.00 O ATOM 1738 CB PRO A 113 8.189 -4.732 -21.249 1.00 0.00 C ATOM 1739 CG PRO A 113 9.383 -5.621 -21.592 1.00 0.00 C ATOM 1740 CD PRO A 113 9.639 -6.442 -20.326 1.00 0.00 C ATOM 0 HA PRO A 113 9.007 -3.503 -19.573 1.00 0.00 H new ATOM 0 HB2 PRO A 113 7.245 -5.254 -21.405 1.00 0.00 H new ATOM 0 HB3 PRO A 113 8.166 -3.838 -21.872 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.164 -6.266 -22.443 1.00 0.00 H new ATOM 0 HG3 PRO A 113 10.255 -5.025 -21.860 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.145 -7.413 -20.366 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.702 -6.631 -20.174 1.00 0.00 H new ATOM 1748 N ASP A 114 6.586 -4.717 -18.178 1.00 0.00 N ATOM 1749 CA ASP A 114 5.632 -4.251 -17.167 1.00 0.00 C ATOM 1750 C ASP A 114 6.327 -4.532 -15.831 1.00 0.00 C ATOM 1751 O ASP A 114 6.641 -5.683 -15.522 1.00 0.00 O ATOM 1752 CB ASP A 114 4.318 -5.026 -17.277 1.00 0.00 C ATOM 1753 CG ASP A 114 3.504 -4.626 -18.503 1.00 0.00 C ATOM 1754 OD1 ASP A 114 2.737 -3.640 -18.420 1.00 0.00 O ATOM 1755 OD2 ASP A 114 3.626 -5.291 -19.552 1.00 0.00 O ATOM 0 H ASP A 114 6.811 -5.710 -18.114 1.00 0.00 H new ATOM 0 HA ASP A 114 5.376 -3.198 -17.283 1.00 0.00 H new ATOM 0 HB2 ASP A 114 4.532 -6.094 -17.320 1.00 0.00 H new ATOM 0 HB3 ASP A 114 3.724 -4.856 -16.379 1.00 0.00 H new ATOM 1760 N TYR A 115 6.660 -3.493 -15.065 1.00 0.00 N ATOM 1761 CA TYR A 115 7.597 -3.681 -13.953 1.00 0.00 C ATOM 1762 C TYR A 115 6.834 -4.291 -12.773 1.00 0.00 C ATOM 1763 O TYR A 115 5.674 -3.964 -12.520 1.00 0.00 O ATOM 1764 CB TYR A 115 8.117 -2.270 -13.647 1.00 0.00 C ATOM 1765 CG TYR A 115 9.191 -2.170 -12.578 1.00 0.00 C ATOM 1766 CD1 TYR A 115 10.425 -2.707 -12.783 1.00 0.00 C ATOM 1767 CD2 TYR A 115 8.957 -1.429 -11.462 1.00 0.00 C ATOM 1768 CE1 TYR A 115 11.422 -2.482 -11.890 1.00 0.00 C ATOM 1769 CE2 TYR A 115 9.956 -1.202 -10.571 1.00 0.00 C ATOM 1770 CZ TYR A 115 11.192 -1.717 -10.790 1.00 0.00 C ATOM 1771 OH TYR A 115 12.206 -1.447 -9.911 1.00 0.00 O ATOM 0 H TYR A 115 6.310 -2.542 -15.185 1.00 0.00 H new ATOM 0 HA TYR A 115 8.425 -4.355 -14.172 1.00 0.00 H new ATOM 0 HB2 TYR A 115 8.510 -1.842 -14.569 1.00 0.00 H new ATOM 0 HB3 TYR A 115 7.272 -1.652 -13.343 1.00 0.00 H new ATOM 0 HD1 TYR A 115 10.611 -3.313 -13.657 1.00 0.00 H new ATOM 0 HD2 TYR A 115 7.974 -1.020 -11.284 1.00 0.00 H new ATOM 0 HE1 TYR A 115 12.399 -2.911 -12.054 1.00 0.00 H new ATOM 0 HE2 TYR A 115 9.767 -0.611 -9.687 1.00 0.00 H new ATOM 0 HH TYR A 115 11.867 -0.886 -9.183 1.00 0.00 H new ATOM 1781 N CYS A 116 7.473 -5.241 -12.101 1.00 0.00 N ATOM 1782 CA CYS A 116 6.719 -6.118 -11.197 1.00 0.00 C ATOM 1783 C CYS A 116 7.295 -6.676 -9.882 1.00 0.00 C ATOM 1784 O CYS A 116 8.338 -7.333 -9.899 1.00 0.00 O ATOM 1785 CB CYS A 116 6.189 -7.432 -11.788 1.00 0.00 C ATOM 1786 SG CYS A 116 7.478 -8.282 -12.742 1.00 0.00 S ATOM 0 H CYS A 116 8.475 -5.425 -12.156 1.00 0.00 H new ATOM 0 HA CYS A 116 6.013 -5.310 -11.006 1.00 0.00 H new ATOM 0 HB2 CYS A 116 5.838 -8.081 -10.985 1.00 0.00 H new ATOM 0 HB3 CYS A 116 5.332 -7.227 -12.430 1.00 0.00 H new ATOM 0 HG CYS A 116 8.598 -7.632 -12.633 1.00 0.00 H new ATOM 1792 N TRP A 117 6.671 -6.389 -8.741 1.00 0.00 N ATOM 1793 CA TRP A 117 7.257 -6.775 -7.453 1.00 0.00 C ATOM 1794 C TRP A 117 6.420 -7.901 -6.844 1.00 0.00 C ATOM 1795 O TRP A 117 5.296 -7.690 -6.391 1.00 0.00 O ATOM 1796 CB TRP A 117 7.210 -5.634 -6.431 1.00 0.00 C ATOM 1797 CG TRP A 117 7.505 -4.220 -6.872 1.00 0.00 C ATOM 1798 CD1 TRP A 117 8.094 -3.746 -8.047 1.00 0.00 C ATOM 1799 CD2 TRP A 117 7.350 -3.134 -6.061 1.00 0.00 C ATOM 1800 NE1 TRP A 117 8.311 -2.362 -7.969 1.00 0.00 N ATOM 1801 CE2 TRP A 117 7.862 -2.032 -6.698 1.00 0.00 C ATOM 1802 CE3 TRP A 117 6.861 -3.061 -4.788 1.00 0.00 C ATOM 1803 CZ2 TRP A 117 8.013 -0.867 -6.011 1.00 0.00 C ATOM 1804 CZ3 TRP A 117 6.864 -1.853 -4.176 1.00 0.00 C ATOM 1805 CH2 TRP A 117 7.522 -0.803 -4.734 1.00 0.00 C ATOM 0 H TRP A 117 5.778 -5.901 -8.678 1.00 0.00 H new ATOM 0 HA TRP A 117 8.290 -7.062 -7.651 1.00 0.00 H new ATOM 0 HB2 TRP A 117 6.214 -5.635 -5.987 1.00 0.00 H new ATOM 0 HB3 TRP A 117 7.914 -5.880 -5.636 1.00 0.00 H new ATOM 0 HD1 TRP A 117 8.347 -4.360 -8.898 1.00 0.00 H new ATOM 0 HE1 TRP A 117 8.705 -1.745 -8.679 1.00 0.00 H new ATOM 0 HE3 TRP A 117 6.484 -3.939 -4.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 8.506 -0.017 -6.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 6.341 -1.723 -3.240 1.00 0.00 H new ATOM 0 HH2 TRP A 117 7.661 0.100 -4.159 1.00 0.00 H new ATOM 1816 N ILE A 118 6.976 -9.096 -6.778 1.00 0.00 N ATOM 1817 CA ILE A 118 6.303 -10.166 -6.025 1.00 0.00 C ATOM 1818 C ILE A 118 6.936 -10.265 -4.634 1.00 0.00 C ATOM 1819 O ILE A 118 8.146 -10.171 -4.448 1.00 0.00 O ATOM 1820 CB ILE A 118 6.244 -11.483 -6.834 1.00 0.00 C ATOM 1821 CG1 ILE A 118 6.057 -12.749 -5.981 1.00 0.00 C ATOM 1822 CG2 ILE A 118 7.456 -11.729 -7.730 1.00 0.00 C ATOM 1823 CD1 ILE A 118 5.143 -13.727 -6.708 1.00 0.00 C ATOM 0 H ILE A 118 7.860 -9.357 -7.216 1.00 0.00 H new ATOM 0 HA ILE A 118 5.251 -9.927 -5.865 1.00 0.00 H new ATOM 0 HB ILE A 118 5.358 -11.317 -7.447 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.023 -13.215 -5.787 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.629 -12.487 -5.013 1.00 0.00 H new ATOM 0 HG21 ILE A 118 7.331 -12.673 -8.260 1.00 0.00 H new ATOM 0 HG22 ILE A 118 7.546 -10.917 -8.452 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.357 -11.772 -7.119 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.013 -14.623 -6.101 1.00 0.00 H new ATOM 0 HD12 ILE A 118 4.173 -13.260 -6.879 1.00 0.00 H new ATOM 0 HD13 ILE A 118 5.589 -13.999 -7.665 1.00 0.00 H new ATOM 1835 N LYS A 119 6.077 -10.559 -3.668 1.00 0.00 N ATOM 1836 CA LYS A 119 6.512 -10.576 -2.262 1.00 0.00 C ATOM 1837 C LYS A 119 6.970 -11.982 -1.855 1.00 0.00 C ATOM 1838 O LYS A 119 6.167 -12.909 -1.766 1.00 0.00 O ATOM 1839 CB LYS A 119 5.339 -10.115 -1.386 1.00 0.00 C ATOM 1840 CG LYS A 119 5.742 -9.861 0.071 1.00 0.00 C ATOM 1841 CD LYS A 119 4.519 -9.743 0.982 1.00 0.00 C ATOM 1842 CE LYS A 119 4.945 -9.575 2.441 1.00 0.00 C ATOM 1843 NZ LYS A 119 3.767 -9.562 3.324 1.00 0.00 N ATOM 0 H LYS A 119 5.094 -10.786 -3.817 1.00 0.00 H new ATOM 0 HA LYS A 119 7.359 -9.903 -2.129 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.917 -9.201 -1.805 1.00 0.00 H new ATOM 0 HB3 LYS A 119 4.554 -10.870 -1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 119 6.379 -10.674 0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 119 6.331 -8.946 0.132 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.912 -8.891 0.675 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.896 -10.632 0.880 1.00 0.00 H new ATOM 0 HE2 LYS A 119 5.612 -10.388 2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 119 5.505 -8.647 2.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 3.934 -8.909 4.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 2.934 -9.249 2.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 3.600 -10.519 3.694 1.00 0.00 H new ATOM 1857 N MET A 120 8.273 -12.150 -1.636 1.00 0.00 N ATOM 1858 CA MET A 120 8.836 -13.498 -1.452 1.00 0.00 C ATOM 1859 C MET A 120 9.060 -13.786 0.039 1.00 0.00 C ATOM 1860 O MET A 120 9.214 -12.880 0.860 1.00 0.00 O ATOM 1861 CB MET A 120 10.166 -13.615 -2.211 1.00 0.00 C ATOM 1862 CG MET A 120 9.981 -13.627 -3.731 1.00 0.00 C ATOM 1863 SD MET A 120 8.972 -15.041 -4.214 1.00 0.00 S ATOM 1864 CE MET A 120 9.307 -15.055 -5.983 1.00 0.00 C ATOM 0 H MET A 120 8.952 -11.390 -1.581 1.00 0.00 H new ATOM 0 HA MET A 120 8.130 -14.229 -1.847 1.00 0.00 H new ATOM 0 HB2 MET A 120 10.812 -12.782 -1.934 1.00 0.00 H new ATOM 0 HB3 MET A 120 10.675 -14.528 -1.904 1.00 0.00 H new ATOM 0 HG2 MET A 120 9.505 -12.702 -4.056 1.00 0.00 H new ATOM 0 HG3 MET A 120 10.952 -13.676 -4.224 1.00 0.00 H new ATOM 0 HE1 MET A 120 8.654 -15.779 -6.471 1.00 0.00 H new ATOM 0 HE2 MET A 120 9.123 -14.063 -6.396 1.00 0.00 H new ATOM 0 HE3 MET A 120 10.347 -15.332 -6.154 1.00 0.00 H new TER 1874 MET A 120