USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 666 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 48 GLN : amide:sc= -2.03 K(o=-3.3,f=-6.1!) USER MOD Set 1.2: A 66 THR OG1 : rot 93:sc= -1.24 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -51:sc= -1.73! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -116:sc= 0.0671 USER MOD Single : A 34 ASN : amide:sc= -2.13 K(o=-2.1,f=-3.3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= -0.343 (180deg=-0.627) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -141:sc= -1.37 (180deg=-2.73) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= -0.172 USER MOD Single : A 75 CYS SG : rot -7:sc= -0.35 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 MET CE :methyl -164:sc= -0.0127 (180deg=-0.202) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.7!) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.880 9.470 -8.936 1.00 0.00 N ATOM 2 CA GLY A 1 -7.927 8.666 -8.332 1.00 0.00 C ATOM 3 C GLY A 1 -9.315 9.156 -8.694 1.00 0.00 C ATOM 4 O GLY A 1 -9.926 9.919 -7.947 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.951 9.095 -8.658 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.971 9.438 -9.971 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.967 10.454 -8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.816 7.630 -8.652 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.811 8.679 -7.248 1.00 0.00 H new ATOM 8 N SER A 2 -9.814 8.717 -9.846 1.00 0.00 N ATOM 9 CA SER A 2 -11.137 9.119 -10.308 1.00 0.00 C ATOM 10 C SER A 2 -11.933 7.912 -10.793 1.00 0.00 C ATOM 11 O SER A 2 -11.528 7.222 -11.729 1.00 0.00 O ATOM 12 CB SER A 2 -11.015 10.149 -11.433 1.00 0.00 C ATOM 13 OG SER A 2 -10.883 11.460 -10.912 1.00 0.00 O ATOM 0 H SER A 2 -9.322 8.083 -10.476 1.00 0.00 H new ATOM 0 HA SER A 2 -11.667 9.568 -9.468 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.151 9.913 -12.055 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.894 10.096 -12.075 1.00 0.00 H new ATOM 0 HG SER A 2 -10.805 12.099 -11.651 1.00 0.00 H new ATOM 19 N SER A 3 -13.069 7.663 -10.150 1.00 0.00 N ATOM 20 CA SER A 3 -13.922 6.537 -10.512 1.00 0.00 C ATOM 21 C SER A 3 -14.330 6.614 -11.980 1.00 0.00 C ATOM 22 O SER A 3 -14.437 7.699 -12.550 1.00 0.00 O ATOM 23 CB SER A 3 -15.169 6.509 -9.625 1.00 0.00 C ATOM 24 OG SER A 3 -15.948 5.352 -9.878 1.00 0.00 O ATOM 0 H SER A 3 -13.420 8.226 -9.375 1.00 0.00 H new ATOM 0 HA SER A 3 -13.355 5.619 -10.359 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.874 6.530 -8.576 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.768 7.401 -9.806 1.00 0.00 H new ATOM 0 HG SER A 3 -16.738 5.356 -9.298 1.00 0.00 H new ATOM 30 N GLY A 4 -14.556 5.453 -12.587 1.00 0.00 N ATOM 31 CA GLY A 4 -14.949 5.410 -13.983 1.00 0.00 C ATOM 32 C GLY A 4 -14.280 4.279 -14.739 1.00 0.00 C ATOM 33 O GLY A 4 -13.522 4.515 -15.679 1.00 0.00 O ATOM 0 H GLY A 4 -14.474 4.541 -12.137 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.031 5.297 -14.049 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.698 6.359 -14.457 1.00 0.00 H new ATOM 37 N SER A 5 -14.560 3.047 -14.327 1.00 0.00 N ATOM 38 CA SER A 5 -13.975 1.875 -14.968 1.00 0.00 C ATOM 39 C SER A 5 -14.821 0.633 -14.705 1.00 0.00 C ATOM 40 O SER A 5 -15.597 0.588 -13.750 1.00 0.00 O ATOM 41 CB SER A 5 -12.548 1.650 -14.465 1.00 0.00 C ATOM 42 OG SER A 5 -11.759 0.996 -15.443 1.00 0.00 O ATOM 0 H SER A 5 -15.188 2.834 -13.552 1.00 0.00 H new ATOM 0 HA SER A 5 -13.949 2.055 -16.043 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.095 2.607 -14.208 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.571 1.053 -13.553 1.00 0.00 H new ATOM 0 HG SER A 5 -10.851 0.866 -15.097 1.00 0.00 H new ATOM 48 N SER A 6 -14.664 -0.374 -15.558 1.00 0.00 N ATOM 49 CA SER A 6 -15.415 -1.617 -15.421 1.00 0.00 C ATOM 50 C SER A 6 -14.473 -2.808 -15.279 1.00 0.00 C ATOM 51 O SER A 6 -13.275 -2.701 -15.536 1.00 0.00 O ATOM 52 CB SER A 6 -16.333 -1.818 -16.628 1.00 0.00 C ATOM 53 OG SER A 6 -17.367 -2.742 -16.334 1.00 0.00 O ATOM 0 H SER A 6 -14.023 -0.354 -16.352 1.00 0.00 H new ATOM 0 HA SER A 6 -16.023 -1.548 -14.519 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.768 -0.862 -16.922 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.750 -2.177 -17.476 1.00 0.00 H new ATOM 0 HG SER A 6 -17.941 -2.852 -17.121 1.00 0.00 H new ATOM 59 N GLY A 7 -15.025 -3.946 -14.867 1.00 0.00 N ATOM 60 CA GLY A 7 -14.221 -5.142 -14.697 1.00 0.00 C ATOM 61 C GLY A 7 -14.266 -5.674 -13.279 1.00 0.00 C ATOM 62 O GLY A 7 -14.372 -4.906 -12.322 1.00 0.00 O ATOM 0 H GLY A 7 -16.015 -4.060 -14.648 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.573 -5.913 -15.382 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.188 -4.923 -14.967 1.00 0.00 H new ATOM 66 N THR A 8 -14.187 -6.994 -13.141 1.00 0.00 N ATOM 67 CA THR A 8 -14.222 -7.629 -11.829 1.00 0.00 C ATOM 68 C THR A 8 -12.869 -8.237 -11.476 1.00 0.00 C ATOM 69 O THR A 8 -11.909 -8.124 -12.239 1.00 0.00 O ATOM 70 CB THR A 8 -15.299 -8.728 -11.766 1.00 0.00 C ATOM 71 OG1 THR A 8 -15.176 -9.600 -12.895 1.00 0.00 O ATOM 72 CG2 THR A 8 -16.692 -8.119 -11.738 1.00 0.00 C ATOM 0 H THR A 8 -14.098 -7.644 -13.922 1.00 0.00 H new ATOM 0 HA THR A 8 -14.466 -6.850 -11.107 1.00 0.00 H new ATOM 0 HB THR A 8 -15.151 -9.299 -10.849 1.00 0.00 H new ATOM 0 HG1 THR A 8 -15.863 -10.297 -12.846 1.00 0.00 H new ATOM 0 HG21 THR A 8 -17.436 -8.914 -11.694 1.00 0.00 H new ATOM 0 HG22 THR A 8 -16.792 -7.479 -10.861 1.00 0.00 H new ATOM 0 HG23 THR A 8 -16.848 -7.526 -12.639 1.00 0.00 H new ATOM 80 N ASP A 9 -12.800 -8.882 -10.317 1.00 0.00 N ATOM 81 CA ASP A 9 -11.564 -9.510 -9.864 1.00 0.00 C ATOM 82 C ASP A 9 -11.653 -11.028 -9.980 1.00 0.00 C ATOM 83 O ASP A 9 -12.691 -11.636 -9.718 1.00 0.00 O ATOM 84 CB ASP A 9 -11.266 -9.113 -8.418 1.00 0.00 C ATOM 85 CG ASP A 9 -12.505 -9.130 -7.545 1.00 0.00 C ATOM 86 OD1 ASP A 9 -13.250 -8.128 -7.554 1.00 0.00 O ATOM 87 OD2 ASP A 9 -12.729 -10.145 -6.852 1.00 0.00 O ATOM 0 H ASP A 9 -13.585 -8.984 -9.674 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.752 -9.162 -10.503 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -10.524 -9.795 -8.003 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.827 -8.115 -8.401 1.00 0.00 H new ATOM 92 N PRO A 10 -10.538 -11.657 -10.382 1.00 0.00 N ATOM 93 CA PRO A 10 -10.465 -13.113 -10.542 1.00 0.00 C ATOM 94 C PRO A 10 -10.514 -13.846 -9.206 1.00 0.00 C ATOM 95 O PRO A 10 -11.266 -14.805 -9.041 1.00 0.00 O ATOM 96 CB PRO A 10 -9.109 -13.327 -11.220 1.00 0.00 C ATOM 97 CG PRO A 10 -8.297 -12.142 -10.826 1.00 0.00 C ATOM 98 CD PRO A 10 -9.264 -10.996 -10.711 1.00 0.00 C ATOM 0 HA PRO A 10 -11.308 -13.504 -11.111 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.643 -14.255 -10.888 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.214 -13.393 -12.303 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.785 -12.317 -9.880 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.529 -11.931 -11.570 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.964 -10.293 -9.934 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.332 -10.433 -11.642 1.00 0.00 H new ATOM 106 N GLY A 11 -9.707 -13.388 -8.254 1.00 0.00 N ATOM 107 CA GLY A 11 -9.674 -14.012 -6.945 1.00 0.00 C ATOM 108 C GLY A 11 -11.018 -13.962 -6.245 1.00 0.00 C ATOM 109 O GLY A 11 -11.617 -12.896 -6.111 1.00 0.00 O ATOM 0 H GLY A 11 -9.075 -12.595 -8.366 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.360 -15.051 -7.049 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.927 -13.514 -6.327 1.00 0.00 H new ATOM 113 N ALA A 12 -11.495 -15.120 -5.800 1.00 0.00 N ATOM 114 CA ALA A 12 -12.776 -15.205 -5.110 1.00 0.00 C ATOM 115 C ALA A 12 -12.594 -15.659 -3.666 1.00 0.00 C ATOM 116 O ALA A 12 -11.510 -16.090 -3.274 1.00 0.00 O ATOM 117 CB ALA A 12 -13.712 -16.150 -5.849 1.00 0.00 C ATOM 0 H ALA A 12 -11.013 -16.013 -5.905 1.00 0.00 H new ATOM 0 HA ALA A 12 -13.219 -14.209 -5.096 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -14.665 -16.204 -5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.877 -15.781 -6.861 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.265 -17.143 -5.893 1.00 0.00 H new ATOM 123 N GLU A 13 -13.661 -15.560 -2.880 1.00 0.00 N ATOM 124 CA GLU A 13 -13.617 -15.960 -1.479 1.00 0.00 C ATOM 125 C GLU A 13 -12.249 -15.663 -0.871 1.00 0.00 C ATOM 126 O GLU A 13 -11.715 -16.459 -0.099 1.00 0.00 O ATOM 127 CB GLU A 13 -13.935 -17.450 -1.340 1.00 0.00 C ATOM 128 CG GLU A 13 -12.867 -18.358 -1.927 1.00 0.00 C ATOM 129 CD GLU A 13 -12.795 -19.702 -1.227 1.00 0.00 C ATOM 130 OE1 GLU A 13 -12.955 -19.734 0.011 1.00 0.00 O ATOM 131 OE2 GLU A 13 -12.579 -20.720 -1.917 1.00 0.00 O ATOM 0 H GLU A 13 -14.566 -15.206 -3.190 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.369 -15.383 -0.940 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.063 -17.689 -0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.886 -17.657 -1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.071 -18.515 -2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.898 -17.864 -1.858 1.00 0.00 H new ATOM 138 N GLU A 14 -11.688 -14.511 -1.226 1.00 0.00 N ATOM 139 CA GLU A 14 -10.382 -14.109 -0.717 1.00 0.00 C ATOM 140 C GLU A 14 -10.525 -13.298 0.567 1.00 0.00 C ATOM 141 O GLU A 14 -11.598 -12.774 0.868 1.00 0.00 O ATOM 142 CB GLU A 14 -9.629 -13.292 -1.769 1.00 0.00 C ATOM 143 CG GLU A 14 -10.295 -11.967 -2.100 1.00 0.00 C ATOM 144 CD GLU A 14 -9.758 -11.347 -3.376 1.00 0.00 C ATOM 145 OE1 GLU A 14 -9.348 -12.107 -4.278 1.00 0.00 O ATOM 146 OE2 GLU A 14 -9.748 -10.102 -3.472 1.00 0.00 O ATOM 0 H GLU A 14 -12.117 -13.840 -1.864 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.814 -15.012 -0.494 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.617 -13.101 -1.413 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.540 -13.883 -2.681 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.370 -12.119 -2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.146 -11.273 -1.273 1.00 0.00 H new ATOM 153 N LEU A 15 -9.436 -13.199 1.322 1.00 0.00 N ATOM 154 CA LEU A 15 -9.438 -12.452 2.575 1.00 0.00 C ATOM 155 C LEU A 15 -9.656 -10.963 2.321 1.00 0.00 C ATOM 156 O LEU A 15 -9.183 -10.402 1.333 1.00 0.00 O ATOM 157 CB LEU A 15 -8.121 -12.666 3.322 1.00 0.00 C ATOM 158 CG LEU A 15 -7.650 -14.115 3.450 1.00 0.00 C ATOM 159 CD1 LEU A 15 -6.279 -14.175 4.105 1.00 0.00 C ATOM 160 CD2 LEU A 15 -8.658 -14.935 4.242 1.00 0.00 C ATOM 0 H LEU A 15 -8.540 -13.627 1.088 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.260 -12.822 3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.342 -12.095 2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.222 -12.248 4.324 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.571 -14.541 2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.960 -15.214 4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.561 -13.623 3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.331 -13.731 5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.307 -15.964 4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.770 -14.510 5.239 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.621 -14.920 3.731 1.00 0.00 H new ATOM 172 N PRO A 16 -10.386 -10.308 3.235 1.00 0.00 N ATOM 173 CA PRO A 16 -10.680 -8.875 3.133 1.00 0.00 C ATOM 174 C PRO A 16 -9.444 -8.012 3.359 1.00 0.00 C ATOM 175 O PRO A 16 -8.828 -8.059 4.424 1.00 0.00 O ATOM 176 CB PRO A 16 -11.704 -8.643 4.247 1.00 0.00 C ATOM 177 CG PRO A 16 -11.439 -9.725 5.237 1.00 0.00 C ATOM 178 CD PRO A 16 -10.981 -10.914 4.438 1.00 0.00 C ATOM 0 HA PRO A 16 -11.039 -8.603 2.141 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.584 -7.657 4.696 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -12.723 -8.697 3.865 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.677 -9.420 5.954 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.337 -9.961 5.807 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.254 -11.512 4.988 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.812 -11.573 4.187 1.00 0.00 H new ATOM 186 N ALA A 17 -9.085 -7.224 2.351 1.00 0.00 N ATOM 187 CA ALA A 17 -7.923 -6.349 2.441 1.00 0.00 C ATOM 188 C ALA A 17 -8.299 -4.998 3.040 1.00 0.00 C ATOM 189 O ALA A 17 -9.076 -4.243 2.456 1.00 0.00 O ATOM 190 CB ALA A 17 -7.295 -6.162 1.067 1.00 0.00 C ATOM 0 H ALA A 17 -9.583 -7.174 1.462 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.194 -6.820 3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.428 -5.506 1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.982 -7.130 0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.025 -5.716 0.391 1.00 0.00 H new ATOM 196 N ARG A 18 -7.743 -4.700 4.210 1.00 0.00 N ATOM 197 CA ARG A 18 -8.021 -3.440 4.890 1.00 0.00 C ATOM 198 C ARG A 18 -7.904 -2.264 3.925 1.00 0.00 C ATOM 199 O ARG A 18 -6.800 -1.831 3.590 1.00 0.00 O ATOM 200 CB ARG A 18 -7.062 -3.247 6.065 1.00 0.00 C ATOM 201 CG ARG A 18 -7.240 -4.274 7.172 1.00 0.00 C ATOM 202 CD ARG A 18 -8.241 -3.802 8.215 1.00 0.00 C ATOM 203 NE ARG A 18 -7.593 -3.077 9.305 1.00 0.00 N ATOM 204 CZ ARG A 18 -8.192 -2.794 10.457 1.00 0.00 C ATOM 205 NH1 ARG A 18 -9.444 -3.174 10.668 1.00 0.00 N ATOM 206 NH2 ARG A 18 -7.536 -2.130 11.401 1.00 0.00 N ATOM 0 H ARG A 18 -7.097 -5.314 4.707 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.043 -3.478 5.267 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.037 -3.295 5.698 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.206 -2.249 6.480 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.577 -5.218 6.743 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.279 -4.466 7.649 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.982 -3.158 7.741 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.777 -4.661 8.619 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.629 -2.771 9.175 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.951 -3.685 9.945 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.901 -2.955 11.553 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.572 -1.837 11.242 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.996 -1.913 12.285 1.00 0.00 H new ATOM 220 N ILE A 19 -9.047 -1.753 3.481 1.00 0.00 N ATOM 221 CA ILE A 19 -9.071 -0.627 2.555 1.00 0.00 C ATOM 222 C ILE A 19 -8.943 0.699 3.298 1.00 0.00 C ATOM 223 O ILE A 19 -9.902 1.178 3.904 1.00 0.00 O ATOM 224 CB ILE A 19 -10.366 -0.612 1.721 1.00 0.00 C ATOM 225 CG1 ILE A 19 -10.653 -2.007 1.161 1.00 0.00 C ATOM 226 CG2 ILE A 19 -10.258 0.405 0.594 1.00 0.00 C ATOM 227 CD1 ILE A 19 -9.613 -2.489 0.175 1.00 0.00 C ATOM 0 H ILE A 19 -9.968 -2.100 3.747 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.219 -0.750 1.887 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.194 -0.323 2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.714 -2.715 1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.628 -2.000 0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -11.181 0.404 0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -10.094 1.397 1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.421 0.143 -0.054 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.882 -3.484 -0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.567 -1.802 -0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.639 -2.529 0.663 1.00 0.00 H new ATOM 239 N PHE A 20 -7.753 1.287 3.246 1.00 0.00 N ATOM 240 CA PHE A 20 -7.500 2.559 3.914 1.00 0.00 C ATOM 241 C PHE A 20 -7.236 3.665 2.896 1.00 0.00 C ATOM 242 O PHE A 20 -6.686 3.418 1.823 1.00 0.00 O ATOM 243 CB PHE A 20 -6.308 2.431 4.864 1.00 0.00 C ATOM 244 CG PHE A 20 -6.658 1.808 6.185 1.00 0.00 C ATOM 245 CD1 PHE A 20 -7.440 0.666 6.242 1.00 0.00 C ATOM 246 CD2 PHE A 20 -6.207 2.366 7.371 1.00 0.00 C ATOM 247 CE1 PHE A 20 -7.764 0.090 7.456 1.00 0.00 C ATOM 248 CE2 PHE A 20 -6.528 1.795 8.588 1.00 0.00 C ATOM 249 CZ PHE A 20 -7.308 0.656 8.630 1.00 0.00 C ATOM 0 H PHE A 20 -6.949 0.904 2.749 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.388 2.822 4.489 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.533 1.833 4.384 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.885 3.420 5.039 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.801 0.220 5.327 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.598 3.257 7.344 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.373 -0.801 7.486 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.169 2.239 9.505 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.561 0.209 9.580 1.00 0.00 H new ATOM 259 N VAL A 21 -7.635 4.885 3.240 1.00 0.00 N ATOM 260 CA VAL A 21 -7.442 6.030 2.358 1.00 0.00 C ATOM 261 C VAL A 21 -6.438 7.015 2.946 1.00 0.00 C ATOM 262 O VAL A 21 -6.244 7.068 4.160 1.00 0.00 O ATOM 263 CB VAL A 21 -8.770 6.764 2.092 1.00 0.00 C ATOM 264 CG1 VAL A 21 -9.240 7.487 3.345 1.00 0.00 C ATOM 265 CG2 VAL A 21 -8.619 7.734 0.931 1.00 0.00 C ATOM 0 H VAL A 21 -8.094 5.106 4.124 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.055 5.641 1.416 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.526 6.026 1.822 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.179 8.000 3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.390 6.765 4.147 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.488 8.215 3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.567 8.244 0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.850 8.469 1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.332 7.186 0.034 1.00 0.00 H new ATOM 275 N ALA A 22 -5.803 7.794 2.077 1.00 0.00 N ATOM 276 CA ALA A 22 -4.821 8.780 2.511 1.00 0.00 C ATOM 277 C ALA A 22 -5.476 10.133 2.764 1.00 0.00 C ATOM 278 O ALA A 22 -6.187 10.660 1.907 1.00 0.00 O ATOM 279 CB ALA A 22 -3.714 8.913 1.476 1.00 0.00 C ATOM 0 H ALA A 22 -5.951 7.762 1.068 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.387 8.435 3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.988 9.653 1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.219 7.951 1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.141 9.231 0.525 1.00 0.00 H new ATOM 285 N LEU A 23 -5.234 10.691 3.945 1.00 0.00 N ATOM 286 CA LEU A 23 -5.801 11.984 4.311 1.00 0.00 C ATOM 287 C LEU A 23 -4.905 13.125 3.841 1.00 0.00 C ATOM 288 O LEU A 23 -5.358 14.258 3.679 1.00 0.00 O ATOM 289 CB LEU A 23 -5.998 12.066 5.826 1.00 0.00 C ATOM 290 CG LEU A 23 -7.021 11.098 6.423 1.00 0.00 C ATOM 291 CD1 LEU A 23 -7.296 11.444 7.878 1.00 0.00 C ATOM 292 CD2 LEU A 23 -8.310 11.119 5.615 1.00 0.00 C ATOM 0 H LEU A 23 -4.649 10.268 4.666 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.769 12.081 3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.036 11.889 6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.299 13.083 6.079 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.607 10.091 6.382 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.026 10.745 8.286 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.370 11.377 8.449 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.689 12.458 7.943 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.026 10.424 6.054 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.728 12.125 5.624 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.100 10.822 4.587 1.00 0.00 H new ATOM 304 N PHE A 24 -3.631 12.818 3.622 1.00 0.00 N ATOM 305 CA PHE A 24 -2.670 13.817 3.169 1.00 0.00 C ATOM 306 C PHE A 24 -1.521 13.162 2.409 1.00 0.00 C ATOM 307 O PHE A 24 -1.222 11.984 2.609 1.00 0.00 O ATOM 308 CB PHE A 24 -2.124 14.607 4.360 1.00 0.00 C ATOM 309 CG PHE A 24 -3.100 14.731 5.495 1.00 0.00 C ATOM 310 CD1 PHE A 24 -4.130 15.656 5.443 1.00 0.00 C ATOM 311 CD2 PHE A 24 -2.986 13.923 6.615 1.00 0.00 C ATOM 312 CE1 PHE A 24 -5.030 15.773 6.485 1.00 0.00 C ATOM 313 CE2 PHE A 24 -3.883 14.035 7.660 1.00 0.00 C ATOM 314 CZ PHE A 24 -4.905 14.962 7.596 1.00 0.00 C ATOM 0 H PHE A 24 -3.240 11.885 3.751 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.185 14.500 2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.217 14.122 4.722 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.840 15.605 4.025 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.231 16.294 4.577 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.188 13.198 6.672 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.829 16.497 6.431 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.785 13.398 8.527 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.605 15.053 8.413 1.00 0.00 H new ATOM 324 N ASP A 25 -0.882 13.932 1.536 1.00 0.00 N ATOM 325 CA ASP A 25 0.235 13.428 0.745 1.00 0.00 C ATOM 326 C ASP A 25 1.372 12.958 1.648 1.00 0.00 C ATOM 327 O ASP A 25 1.584 13.504 2.731 1.00 0.00 O ATOM 328 CB ASP A 25 0.741 14.509 -0.211 1.00 0.00 C ATOM 329 CG ASP A 25 0.641 15.900 0.384 1.00 0.00 C ATOM 330 OD1 ASP A 25 -0.436 16.521 0.261 1.00 0.00 O ATOM 331 OD2 ASP A 25 1.639 16.368 0.971 1.00 0.00 O ATOM 0 H ASP A 25 -1.118 14.908 1.358 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.119 12.577 0.163 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.779 14.302 -0.472 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.166 14.470 -1.136 1.00 0.00 H new ATOM 336 N TYR A 26 2.098 11.942 1.196 1.00 0.00 N ATOM 337 CA TYR A 26 3.211 11.396 1.964 1.00 0.00 C ATOM 338 C TYR A 26 4.451 11.239 1.090 1.00 0.00 C ATOM 339 O TYR A 26 4.403 10.612 0.031 1.00 0.00 O ATOM 340 CB TYR A 26 2.825 10.045 2.569 1.00 0.00 C ATOM 341 CG TYR A 26 3.950 9.380 3.330 1.00 0.00 C ATOM 342 CD1 TYR A 26 4.931 10.135 3.960 1.00 0.00 C ATOM 343 CD2 TYR A 26 4.031 7.995 3.418 1.00 0.00 C ATOM 344 CE1 TYR A 26 5.961 9.531 4.655 1.00 0.00 C ATOM 345 CE2 TYR A 26 5.056 7.383 4.112 1.00 0.00 C ATOM 346 CZ TYR A 26 6.019 8.154 4.729 1.00 0.00 C ATOM 347 OH TYR A 26 7.042 7.549 5.421 1.00 0.00 O ATOM 0 H TYR A 26 1.936 11.480 0.301 1.00 0.00 H new ATOM 0 HA TYR A 26 3.442 12.095 2.768 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.977 10.185 3.239 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.494 9.380 1.771 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.888 11.213 3.906 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.280 7.387 2.935 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.717 10.133 5.138 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.103 6.306 4.171 1.00 0.00 H new ATOM 0 HH TYR A 26 7.901 7.907 5.114 1.00 0.00 H new ATOM 357 N ASP A 27 5.561 11.812 1.541 1.00 0.00 N ATOM 358 CA ASP A 27 6.816 11.735 0.803 1.00 0.00 C ATOM 359 C ASP A 27 7.962 11.320 1.720 1.00 0.00 C ATOM 360 O ASP A 27 8.551 12.138 2.428 1.00 0.00 O ATOM 361 CB ASP A 27 7.132 13.081 0.149 1.00 0.00 C ATOM 362 CG ASP A 27 8.241 12.980 -0.879 1.00 0.00 C ATOM 363 OD1 ASP A 27 9.227 12.260 -0.619 1.00 0.00 O ATOM 364 OD2 ASP A 27 8.122 13.621 -1.945 1.00 0.00 O ATOM 0 H ASP A 27 5.617 12.335 2.415 1.00 0.00 H new ATOM 0 HA ASP A 27 6.705 10.979 0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.232 13.469 -0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.419 13.797 0.919 1.00 0.00 H new ATOM 369 N PRO A 28 8.287 10.019 1.711 1.00 0.00 N ATOM 370 CA PRO A 28 9.364 9.465 2.537 1.00 0.00 C ATOM 371 C PRO A 28 10.744 9.913 2.067 1.00 0.00 C ATOM 372 O PRO A 28 11.750 9.658 2.730 1.00 0.00 O ATOM 373 CB PRO A 28 9.204 7.953 2.362 1.00 0.00 C ATOM 374 CG PRO A 28 8.530 7.794 1.043 1.00 0.00 C ATOM 375 CD PRO A 28 7.627 8.987 0.893 1.00 0.00 C ATOM 0 HA PRO A 28 9.295 9.797 3.573 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.170 7.448 2.376 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.607 7.522 3.166 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.260 7.753 0.234 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.960 6.866 1.005 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.538 9.296 -0.149 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.619 8.775 1.250 1.00 0.00 H new ATOM 383 N LEU A 29 10.784 10.583 0.920 1.00 0.00 N ATOM 384 CA LEU A 29 12.041 11.068 0.361 1.00 0.00 C ATOM 385 C LEU A 29 12.438 12.400 0.989 1.00 0.00 C ATOM 386 O LEU A 29 13.623 12.704 1.131 1.00 0.00 O ATOM 387 CB LEU A 29 11.922 11.221 -1.156 1.00 0.00 C ATOM 388 CG LEU A 29 11.232 10.073 -1.894 1.00 0.00 C ATOM 389 CD1 LEU A 29 11.191 10.348 -3.389 1.00 0.00 C ATOM 390 CD2 LEU A 29 11.940 8.756 -1.612 1.00 0.00 C ATOM 0 H LEU A 29 9.961 10.803 0.359 1.00 0.00 H new ATOM 0 HA LEU A 29 12.817 10.336 0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.377 12.141 -1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.924 11.342 -1.569 1.00 0.00 H new ATOM 0 HG LEU A 29 10.207 9.997 -1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 29 10.697 9.520 -3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.639 11.270 -3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.208 10.451 -3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 29 11.435 7.950 -2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 29 12.975 8.820 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.917 8.553 -0.541 1.00 0.00 H new ATOM 402 N THR A 30 11.439 13.193 1.364 1.00 0.00 N ATOM 403 CA THR A 30 11.683 14.492 1.977 1.00 0.00 C ATOM 404 C THR A 30 11.315 14.480 3.456 1.00 0.00 C ATOM 405 O THR A 30 12.070 14.968 4.297 1.00 0.00 O ATOM 406 CB THR A 30 10.887 15.606 1.271 1.00 0.00 C ATOM 407 OG1 THR A 30 9.517 15.566 1.685 1.00 0.00 O ATOM 408 CG2 THR A 30 10.970 15.454 -0.241 1.00 0.00 C ATOM 0 H THR A 30 10.453 12.958 1.254 1.00 0.00 H new ATOM 0 HA THR A 30 12.749 14.695 1.872 1.00 0.00 H new ATOM 0 HB THR A 30 11.322 16.566 1.549 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.018 16.278 1.233 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.401 16.251 -0.719 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.012 15.513 -0.556 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.557 14.488 -0.533 1.00 0.00 H new ATOM 416 N MET A 31 10.151 13.919 3.767 1.00 0.00 N ATOM 417 CA MET A 31 9.685 13.843 5.147 1.00 0.00 C ATOM 418 C MET A 31 10.638 13.010 5.997 1.00 0.00 C ATOM 419 O MET A 31 11.244 13.515 6.942 1.00 0.00 O ATOM 420 CB MET A 31 8.279 13.241 5.199 1.00 0.00 C ATOM 421 CG MET A 31 7.240 14.059 4.448 1.00 0.00 C ATOM 422 SD MET A 31 5.555 13.692 4.975 1.00 0.00 S ATOM 423 CE MET A 31 4.624 14.816 3.935 1.00 0.00 C ATOM 0 H MET A 31 9.514 13.511 3.083 1.00 0.00 H new ATOM 0 HA MET A 31 9.656 14.855 5.551 1.00 0.00 H new ATOM 0 HB2 MET A 31 8.308 12.234 4.782 1.00 0.00 H new ATOM 0 HB3 MET A 31 7.971 13.146 6.240 1.00 0.00 H new ATOM 0 HG2 MET A 31 7.441 15.120 4.598 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.333 13.865 3.379 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.560 14.708 4.144 1.00 0.00 H new ATOM 0 HE2 MET A 31 4.932 15.841 4.141 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.814 14.584 2.887 1.00 0.00 H new ATOM 433 N SER A 32 10.766 11.732 5.657 1.00 0.00 N ATOM 434 CA SER A 32 11.643 10.828 6.392 1.00 0.00 C ATOM 435 C SER A 32 13.005 11.471 6.634 1.00 0.00 C ATOM 436 O SER A 32 13.627 12.028 5.729 1.00 0.00 O ATOM 437 CB SER A 32 11.815 9.515 5.627 1.00 0.00 C ATOM 438 OG SER A 32 12.209 8.466 6.495 1.00 0.00 O ATOM 0 H SER A 32 10.273 11.298 4.876 1.00 0.00 H new ATOM 0 HA SER A 32 11.182 10.619 7.357 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.879 9.252 5.135 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.562 9.642 4.843 1.00 0.00 H new ATOM 0 HG SER A 32 13.105 8.156 6.248 1.00 0.00 H new ATOM 444 N PRO A 33 13.482 11.392 7.885 1.00 0.00 N ATOM 445 CA PRO A 33 14.776 11.960 8.277 1.00 0.00 C ATOM 446 C PRO A 33 15.950 11.194 7.677 1.00 0.00 C ATOM 447 O PRO A 33 17.079 11.682 7.665 1.00 0.00 O ATOM 448 CB PRO A 33 14.774 11.828 9.802 1.00 0.00 C ATOM 449 CG PRO A 33 13.852 10.692 10.083 1.00 0.00 C ATOM 450 CD PRO A 33 12.795 10.743 9.014 1.00 0.00 C ATOM 0 HA PRO A 33 14.895 12.985 7.925 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.775 11.629 10.183 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.428 12.745 10.278 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.385 9.742 10.060 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.409 10.785 11.075 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.442 9.746 8.750 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.925 11.314 9.337 1.00 0.00 H new ATOM 458 N ASN A 34 15.675 9.993 7.180 1.00 0.00 N ATOM 459 CA ASN A 34 16.710 9.160 6.578 1.00 0.00 C ATOM 460 C ASN A 34 16.218 8.538 5.275 1.00 0.00 C ATOM 461 O ASN A 34 15.093 8.045 5.178 1.00 0.00 O ATOM 462 CB ASN A 34 17.138 8.059 7.552 1.00 0.00 C ATOM 463 CG ASN A 34 18.574 7.622 7.335 1.00 0.00 C ATOM 464 OD1 ASN A 34 19.479 8.451 7.243 1.00 0.00 O ATOM 465 ND2 ASN A 34 18.787 6.314 7.252 1.00 0.00 N ATOM 0 H ASN A 34 14.745 9.575 7.182 1.00 0.00 H new ATOM 0 HA ASN A 34 17.568 9.794 6.356 1.00 0.00 H new ATOM 0 HB2 ASN A 34 17.020 8.417 8.575 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.478 7.199 7.437 1.00 0.00 H new ATOM 0 HD21 ASN A 34 19.732 5.959 7.106 1.00 0.00 H new ATOM 0 HD22 ASN A 34 18.005 5.664 7.334 1.00 0.00 H new ATOM 472 N PRO A 35 17.079 8.559 4.247 1.00 0.00 N ATOM 473 CA PRO A 35 16.755 8.001 2.931 1.00 0.00 C ATOM 474 C PRO A 35 16.667 6.478 2.953 1.00 0.00 C ATOM 475 O PRO A 35 15.825 5.886 2.278 1.00 0.00 O ATOM 476 CB PRO A 35 17.925 8.456 2.055 1.00 0.00 C ATOM 477 CG PRO A 35 19.055 8.655 3.005 1.00 0.00 C ATOM 478 CD PRO A 35 18.436 9.130 4.291 1.00 0.00 C ATOM 0 HA PRO A 35 15.781 8.337 2.574 1.00 0.00 H new ATOM 0 HB2 PRO A 35 18.169 7.708 1.301 1.00 0.00 H new ATOM 0 HB3 PRO A 35 17.687 9.378 1.524 1.00 0.00 H new ATOM 0 HG2 PRO A 35 19.606 7.727 3.156 1.00 0.00 H new ATOM 0 HG3 PRO A 35 19.765 9.387 2.620 1.00 0.00 H new ATOM 0 HD2 PRO A 35 18.993 8.777 5.159 1.00 0.00 H new ATOM 0 HD3 PRO A 35 18.413 10.218 4.348 1.00 0.00 H new ATOM 486 N ASP A 36 17.542 5.851 3.732 1.00 0.00 N ATOM 487 CA ASP A 36 17.561 4.397 3.843 1.00 0.00 C ATOM 488 C ASP A 36 16.266 3.882 4.462 1.00 0.00 C ATOM 489 O ASP A 36 15.706 2.882 4.013 1.00 0.00 O ATOM 490 CB ASP A 36 18.758 3.945 4.681 1.00 0.00 C ATOM 491 CG ASP A 36 19.108 2.488 4.451 1.00 0.00 C ATOM 492 OD1 ASP A 36 19.116 2.058 3.278 1.00 0.00 O ATOM 493 OD2 ASP A 36 19.375 1.777 5.443 1.00 0.00 O ATOM 0 H ASP A 36 18.247 6.327 4.295 1.00 0.00 H new ATOM 0 HA ASP A 36 17.652 3.981 2.840 1.00 0.00 H new ATOM 0 HB2 ASP A 36 19.621 4.565 4.440 1.00 0.00 H new ATOM 0 HB3 ASP A 36 18.538 4.101 5.737 1.00 0.00 H new ATOM 498 N ALA A 37 15.796 4.570 5.498 1.00 0.00 N ATOM 499 CA ALA A 37 14.567 4.183 6.178 1.00 0.00 C ATOM 500 C ALA A 37 13.341 4.548 5.348 1.00 0.00 C ATOM 501 O ALA A 37 12.223 4.145 5.665 1.00 0.00 O ATOM 502 CB ALA A 37 14.493 4.839 7.549 1.00 0.00 C ATOM 0 H ALA A 37 16.249 5.398 5.884 1.00 0.00 H new ATOM 0 HA ALA A 37 14.577 3.101 6.305 1.00 0.00 H new ATOM 0 HB1 ALA A 37 13.570 4.541 8.046 1.00 0.00 H new ATOM 0 HB2 ALA A 37 15.346 4.524 8.150 1.00 0.00 H new ATOM 0 HB3 ALA A 37 14.510 5.923 7.435 1.00 0.00 H new ATOM 508 N ALA A 38 13.560 5.315 4.284 1.00 0.00 N ATOM 509 CA ALA A 38 12.473 5.733 3.408 1.00 0.00 C ATOM 510 C ALA A 38 11.983 4.573 2.548 1.00 0.00 C ATOM 511 O ALA A 38 10.781 4.392 2.362 1.00 0.00 O ATOM 512 CB ALA A 38 12.919 6.892 2.530 1.00 0.00 C ATOM 0 H ALA A 38 14.480 5.659 4.009 1.00 0.00 H new ATOM 0 HA ALA A 38 11.643 6.063 4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.097 7.194 1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.213 7.733 3.159 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.767 6.581 1.920 1.00 0.00 H new ATOM 518 N GLU A 39 12.923 3.791 2.027 1.00 0.00 N ATOM 519 CA GLU A 39 12.586 2.649 1.185 1.00 0.00 C ATOM 520 C GLU A 39 11.561 1.751 1.871 1.00 0.00 C ATOM 521 O GLU A 39 10.623 1.267 1.239 1.00 0.00 O ATOM 522 CB GLU A 39 13.843 1.844 0.851 1.00 0.00 C ATOM 523 CG GLU A 39 14.593 2.362 -0.365 1.00 0.00 C ATOM 524 CD GLU A 39 15.685 1.415 -0.824 1.00 0.00 C ATOM 525 OE1 GLU A 39 15.540 0.194 -0.607 1.00 0.00 O ATOM 526 OE2 GLU A 39 16.684 1.895 -1.399 1.00 0.00 O ATOM 0 H GLU A 39 13.923 3.927 2.173 1.00 0.00 H new ATOM 0 HA GLU A 39 12.150 3.028 0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.511 1.856 1.712 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.563 0.805 0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.888 2.521 -1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.033 3.331 -0.130 1.00 0.00 H new ATOM 533 N GLU A 40 11.749 1.534 3.169 1.00 0.00 N ATOM 534 CA GLU A 40 10.841 0.693 3.941 1.00 0.00 C ATOM 535 C GLU A 40 9.442 1.299 3.985 1.00 0.00 C ATOM 536 O GLU A 40 8.451 0.588 4.149 1.00 0.00 O ATOM 537 CB GLU A 40 11.372 0.503 5.364 1.00 0.00 C ATOM 538 CG GLU A 40 12.728 -0.180 5.422 1.00 0.00 C ATOM 539 CD GLU A 40 12.671 -1.629 4.977 1.00 0.00 C ATOM 540 OE1 GLU A 40 12.549 -1.872 3.759 1.00 0.00 O ATOM 541 OE2 GLU A 40 12.748 -2.519 5.850 1.00 0.00 O ATOM 0 H GLU A 40 12.520 1.928 3.707 1.00 0.00 H new ATOM 0 HA GLU A 40 10.781 -0.278 3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.444 1.477 5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.654 -0.085 5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 40 13.431 0.363 4.790 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.112 -0.132 6.441 1.00 0.00 H new ATOM 548 N GLU A 41 9.370 2.619 3.837 1.00 0.00 N ATOM 549 CA GLU A 41 8.093 3.321 3.862 1.00 0.00 C ATOM 550 C GLU A 41 7.408 3.252 2.500 1.00 0.00 C ATOM 551 O GLU A 41 8.069 3.184 1.463 1.00 0.00 O ATOM 552 CB GLU A 41 8.297 4.782 4.269 1.00 0.00 C ATOM 553 CG GLU A 41 8.561 4.969 5.754 1.00 0.00 C ATOM 554 CD GLU A 41 9.230 6.293 6.065 1.00 0.00 C ATOM 555 OE1 GLU A 41 9.494 7.063 5.118 1.00 0.00 O ATOM 556 OE2 GLU A 41 9.490 6.560 7.257 1.00 0.00 O ATOM 0 H GLU A 41 10.181 3.222 3.699 1.00 0.00 H new ATOM 0 HA GLU A 41 7.453 2.833 4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.134 5.194 3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.412 5.355 3.991 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.618 4.906 6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.191 4.155 6.113 1.00 0.00 H new ATOM 563 N LEU A 42 6.080 3.270 2.511 1.00 0.00 N ATOM 564 CA LEU A 42 5.304 3.209 1.277 1.00 0.00 C ATOM 565 C LEU A 42 4.664 4.559 0.969 1.00 0.00 C ATOM 566 O LEU A 42 3.670 4.956 1.578 1.00 0.00 O ATOM 567 CB LEU A 42 4.222 2.132 1.384 1.00 0.00 C ATOM 568 CG LEU A 42 3.840 1.433 0.079 1.00 0.00 C ATOM 569 CD1 LEU A 42 2.625 0.542 0.287 1.00 0.00 C ATOM 570 CD2 LEU A 42 3.572 2.456 -1.015 1.00 0.00 C ATOM 0 H LEU A 42 5.518 3.326 3.360 1.00 0.00 H new ATOM 0 HA LEU A 42 5.982 2.955 0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.559 1.376 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.325 2.587 1.805 1.00 0.00 H new ATOM 0 HG LEU A 42 4.675 0.807 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.368 0.053 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.852 -0.213 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.783 1.147 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.302 1.941 -1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.754 3.108 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.469 3.053 -1.183 1.00 0.00 H new ATOM 582 N PRO A 43 5.245 5.282 0.000 1.00 0.00 N ATOM 583 CA PRO A 43 4.746 6.597 -0.414 1.00 0.00 C ATOM 584 C PRO A 43 3.411 6.508 -1.145 1.00 0.00 C ATOM 585 O PRO A 43 3.166 5.564 -1.896 1.00 0.00 O ATOM 586 CB PRO A 43 5.839 7.111 -1.355 1.00 0.00 C ATOM 587 CG PRO A 43 6.495 5.881 -1.880 1.00 0.00 C ATOM 588 CD PRO A 43 6.432 4.871 -0.768 1.00 0.00 C ATOM 0 HA PRO A 43 4.558 7.248 0.439 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.417 7.710 -2.162 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.551 7.745 -0.826 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.982 5.515 -2.769 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.527 6.081 -2.167 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.330 3.856 -1.152 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.333 4.891 -0.156 1.00 0.00 H new ATOM 596 N PHE A 44 2.552 7.496 -0.921 1.00 0.00 N ATOM 597 CA PHE A 44 1.241 7.529 -1.558 1.00 0.00 C ATOM 598 C PHE A 44 0.670 8.944 -1.557 1.00 0.00 C ATOM 599 O PHE A 44 1.022 9.767 -0.711 1.00 0.00 O ATOM 600 CB PHE A 44 0.279 6.577 -0.844 1.00 0.00 C ATOM 601 CG PHE A 44 0.257 6.756 0.647 1.00 0.00 C ATOM 602 CD1 PHE A 44 -0.460 7.792 1.224 1.00 0.00 C ATOM 603 CD2 PHE A 44 0.952 5.887 1.473 1.00 0.00 C ATOM 604 CE1 PHE A 44 -0.481 7.959 2.595 1.00 0.00 C ATOM 605 CE2 PHE A 44 0.934 6.049 2.846 1.00 0.00 C ATOM 606 CZ PHE A 44 0.215 7.086 3.407 1.00 0.00 C ATOM 0 H PHE A 44 2.740 8.285 -0.303 1.00 0.00 H new ATOM 0 HA PHE A 44 1.360 7.206 -2.592 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.727 6.729 -1.235 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.559 5.549 -1.075 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.009 8.477 0.594 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.514 5.073 1.039 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.042 8.772 3.032 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.481 5.366 3.479 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.197 7.214 4.479 1.00 0.00 H new ATOM 616 N LYS A 45 -0.213 9.220 -2.510 1.00 0.00 N ATOM 617 CA LYS A 45 -0.835 10.534 -2.620 1.00 0.00 C ATOM 618 C LYS A 45 -2.083 10.621 -1.746 1.00 0.00 C ATOM 619 O LYS A 45 -2.549 9.614 -1.214 1.00 0.00 O ATOM 620 CB LYS A 45 -1.199 10.829 -4.077 1.00 0.00 C ATOM 621 CG LYS A 45 -0.008 11.226 -4.932 1.00 0.00 C ATOM 622 CD LYS A 45 0.963 10.071 -5.108 1.00 0.00 C ATOM 623 CE LYS A 45 1.900 10.303 -6.283 1.00 0.00 C ATOM 624 NZ LYS A 45 3.053 9.361 -6.269 1.00 0.00 N ATOM 0 H LYS A 45 -0.514 8.551 -3.218 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.117 11.277 -2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.670 9.947 -4.511 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.938 11.630 -4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.356 11.562 -5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.507 12.068 -4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.546 9.943 -4.196 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.406 9.147 -5.263 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.348 10.187 -7.216 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.269 11.328 -6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.667 9.552 -7.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.595 9.489 -5.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.703 8.383 -6.321 1.00 0.00 H new ATOM 638 N GLU A 46 -2.618 11.829 -1.605 1.00 0.00 N ATOM 639 CA GLU A 46 -3.812 12.045 -0.797 1.00 0.00 C ATOM 640 C GLU A 46 -5.048 11.477 -1.489 1.00 0.00 C ATOM 641 O GLU A 46 -5.271 11.711 -2.676 1.00 0.00 O ATOM 642 CB GLU A 46 -4.008 13.538 -0.525 1.00 0.00 C ATOM 643 CG GLU A 46 -5.182 13.841 0.391 1.00 0.00 C ATOM 644 CD GLU A 46 -5.383 15.328 0.609 1.00 0.00 C ATOM 645 OE1 GLU A 46 -5.222 16.097 -0.362 1.00 0.00 O ATOM 646 OE2 GLU A 46 -5.700 15.724 1.751 1.00 0.00 O ATOM 0 H GLU A 46 -2.244 12.673 -2.039 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.676 11.525 0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.098 13.940 -0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.155 14.055 -1.473 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.090 13.414 -0.035 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.022 13.355 1.353 1.00 0.00 H new ATOM 653 N GLY A 47 -5.849 10.728 -0.736 1.00 0.00 N ATOM 654 CA GLY A 47 -7.052 10.137 -1.293 1.00 0.00 C ATOM 655 C GLY A 47 -6.782 8.815 -1.983 1.00 0.00 C ATOM 656 O GLY A 47 -7.693 8.199 -2.536 1.00 0.00 O ATOM 0 H GLY A 47 -5.686 10.520 0.249 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.781 9.986 -0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.498 10.831 -2.006 1.00 0.00 H new ATOM 660 N GLN A 48 -5.527 8.378 -1.952 1.00 0.00 N ATOM 661 CA GLN A 48 -5.140 7.121 -2.582 1.00 0.00 C ATOM 662 C GLN A 48 -5.524 5.933 -1.706 1.00 0.00 C ATOM 663 O GLN A 48 -5.397 5.985 -0.482 1.00 0.00 O ATOM 664 CB GLN A 48 -3.635 7.104 -2.854 1.00 0.00 C ATOM 665 CG GLN A 48 -3.109 5.743 -3.280 1.00 0.00 C ATOM 666 CD GLN A 48 -1.716 5.816 -3.873 1.00 0.00 C ATOM 667 OE1 GLN A 48 -0.926 6.694 -3.527 1.00 0.00 O ATOM 668 NE2 GLN A 48 -1.407 4.889 -4.773 1.00 0.00 N ATOM 0 H GLN A 48 -4.761 8.876 -1.498 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.674 7.039 -3.529 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.407 7.832 -3.632 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.108 7.423 -1.955 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.098 5.076 -2.418 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.789 5.308 -4.012 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.093 4.179 -5.030 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.484 4.887 -5.207 1.00 0.00 H new ATOM 677 N ILE A 49 -5.993 4.864 -2.340 1.00 0.00 N ATOM 678 CA ILE A 49 -6.394 3.663 -1.618 1.00 0.00 C ATOM 679 C ILE A 49 -5.219 2.706 -1.446 1.00 0.00 C ATOM 680 O ILE A 49 -4.492 2.423 -2.399 1.00 0.00 O ATOM 681 CB ILE A 49 -7.539 2.927 -2.340 1.00 0.00 C ATOM 682 CG1 ILE A 49 -8.624 3.919 -2.763 1.00 0.00 C ATOM 683 CG2 ILE A 49 -8.122 1.845 -1.444 1.00 0.00 C ATOM 684 CD1 ILE A 49 -9.375 4.526 -1.599 1.00 0.00 C ATOM 0 H ILE A 49 -6.105 4.805 -3.352 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.742 3.987 -0.637 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.138 2.452 -3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.167 4.718 -3.346 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.333 3.412 -3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.930 1.334 -1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.344 1.126 -1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.511 2.298 -0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.128 5.219 -1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.862 3.735 -1.028 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.677 5.062 -0.955 1.00 0.00 H new ATOM 696 N ILE A 50 -5.040 2.211 -0.226 1.00 0.00 N ATOM 697 CA ILE A 50 -3.955 1.284 0.069 1.00 0.00 C ATOM 698 C ILE A 50 -4.490 -0.024 0.642 1.00 0.00 C ATOM 699 O ILE A 50 -5.193 -0.031 1.653 1.00 0.00 O ATOM 700 CB ILE A 50 -2.948 1.893 1.063 1.00 0.00 C ATOM 701 CG1 ILE A 50 -2.352 3.182 0.494 1.00 0.00 C ATOM 702 CG2 ILE A 50 -1.849 0.892 1.385 1.00 0.00 C ATOM 703 CD1 ILE A 50 -1.897 4.158 1.556 1.00 0.00 C ATOM 0 H ILE A 50 -5.632 2.436 0.573 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.446 1.084 -0.874 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.474 2.135 1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.504 2.930 -0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.094 3.667 -0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.146 1.338 2.088 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.289 -0.001 1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.324 0.621 0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.486 5.048 1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.746 4.439 2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.131 3.691 2.175 1.00 0.00 H new ATOM 715 N LYS A 51 -4.151 -1.132 -0.009 1.00 0.00 N ATOM 716 CA LYS A 51 -4.594 -2.447 0.436 1.00 0.00 C ATOM 717 C LYS A 51 -3.793 -2.910 1.649 1.00 0.00 C ATOM 718 O LYS A 51 -2.756 -3.559 1.509 1.00 0.00 O ATOM 719 CB LYS A 51 -4.456 -3.465 -0.698 1.00 0.00 C ATOM 720 CG LYS A 51 -5.651 -3.498 -1.635 1.00 0.00 C ATOM 721 CD LYS A 51 -5.588 -4.688 -2.578 1.00 0.00 C ATOM 722 CE LYS A 51 -6.934 -4.950 -3.236 1.00 0.00 C ATOM 723 NZ LYS A 51 -7.978 -5.316 -2.238 1.00 0.00 N ATOM 0 H LYS A 51 -3.570 -1.145 -0.847 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.643 -2.371 0.723 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.560 -3.235 -1.274 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.314 -4.457 -0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.571 -3.543 -1.052 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.686 -2.575 -2.214 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.836 -4.506 -3.346 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.273 -5.574 -2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.250 -4.062 -3.783 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.831 -5.753 -3.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.830 -5.650 -2.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.618 -6.071 -1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.216 -4.483 -1.663 1.00 0.00 H new ATOM 737 N VAL A 52 -4.280 -2.572 2.838 1.00 0.00 N ATOM 738 CA VAL A 52 -3.611 -2.955 4.076 1.00 0.00 C ATOM 739 C VAL A 52 -4.023 -4.356 4.513 1.00 0.00 C ATOM 740 O VAL A 52 -5.167 -4.767 4.317 1.00 0.00 O ATOM 741 CB VAL A 52 -3.921 -1.963 5.212 1.00 0.00 C ATOM 742 CG1 VAL A 52 -3.621 -2.590 6.565 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.132 -0.676 5.025 1.00 0.00 C ATOM 0 H VAL A 52 -5.136 -2.033 2.971 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.540 -2.941 3.874 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.983 -1.719 5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.846 -1.874 7.356 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.234 -3.481 6.697 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.567 -2.864 6.613 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.363 0.014 5.837 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.065 -0.899 5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.402 -0.219 4.073 1.00 0.00 H new ATOM 753 N TYR A 53 -3.084 -5.085 5.106 1.00 0.00 N ATOM 754 CA TYR A 53 -3.349 -6.442 5.570 1.00 0.00 C ATOM 755 C TYR A 53 -2.937 -6.609 7.029 1.00 0.00 C ATOM 756 O TYR A 53 -2.064 -5.897 7.525 1.00 0.00 O ATOM 757 CB TYR A 53 -2.605 -7.455 4.699 1.00 0.00 C ATOM 758 CG TYR A 53 -3.103 -7.508 3.272 1.00 0.00 C ATOM 759 CD1 TYR A 53 -4.186 -8.304 2.921 1.00 0.00 C ATOM 760 CD2 TYR A 53 -2.489 -6.759 2.274 1.00 0.00 C ATOM 761 CE1 TYR A 53 -4.642 -8.355 1.618 1.00 0.00 C ATOM 762 CE2 TYR A 53 -2.940 -6.803 0.969 1.00 0.00 C ATOM 763 CZ TYR A 53 -4.017 -7.603 0.646 1.00 0.00 C ATOM 764 OH TYR A 53 -4.470 -7.650 -0.653 1.00 0.00 O ATOM 0 H TYR A 53 -2.133 -4.759 5.277 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.421 -6.623 5.491 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.543 -7.208 4.696 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.701 -8.445 5.145 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.680 -8.893 3.680 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.645 -6.132 2.523 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.484 -8.981 1.362 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.452 -6.215 0.206 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.921 -7.061 -1.212 1.00 0.00 H new ATOM 774 N GLY A 54 -3.572 -7.557 7.712 1.00 0.00 N ATOM 775 CA GLY A 54 -3.258 -7.802 9.107 1.00 0.00 C ATOM 776 C GLY A 54 -3.331 -6.543 9.948 1.00 0.00 C ATOM 777 O GLY A 54 -3.838 -5.516 9.497 1.00 0.00 O ATOM 0 H GLY A 54 -4.298 -8.159 7.324 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.950 -8.543 9.507 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.257 -8.227 9.182 1.00 0.00 H new ATOM 781 N ASP A 55 -2.826 -6.622 11.174 1.00 0.00 N ATOM 782 CA ASP A 55 -2.837 -5.480 12.081 1.00 0.00 C ATOM 783 C ASP A 55 -1.560 -4.658 11.935 1.00 0.00 C ATOM 784 O ASP A 55 -0.660 -5.019 11.176 1.00 0.00 O ATOM 785 CB ASP A 55 -2.992 -5.952 13.528 1.00 0.00 C ATOM 786 CG ASP A 55 -3.702 -4.932 14.396 1.00 0.00 C ATOM 787 OD1 ASP A 55 -4.744 -4.400 13.957 1.00 0.00 O ATOM 788 OD2 ASP A 55 -3.216 -4.665 15.515 1.00 0.00 O ATOM 0 H ASP A 55 -2.404 -7.465 11.563 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.686 -4.848 11.820 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.549 -6.889 13.544 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.007 -6.159 13.947 1.00 0.00 H new ATOM 793 N LYS A 56 -1.488 -3.551 12.666 1.00 0.00 N ATOM 794 CA LYS A 56 -0.322 -2.677 12.619 1.00 0.00 C ATOM 795 C LYS A 56 0.951 -3.451 12.942 1.00 0.00 C ATOM 796 O LYS A 56 0.907 -4.649 13.222 1.00 0.00 O ATOM 797 CB LYS A 56 -0.490 -1.516 13.602 1.00 0.00 C ATOM 798 CG LYS A 56 -1.504 -0.479 13.151 1.00 0.00 C ATOM 799 CD LYS A 56 -1.621 0.658 14.152 1.00 0.00 C ATOM 800 CE LYS A 56 -0.255 1.116 14.639 1.00 0.00 C ATOM 801 NZ LYS A 56 0.189 0.357 15.841 1.00 0.00 N ATOM 0 H LYS A 56 -2.224 -3.238 13.299 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.237 -2.279 11.608 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.794 -1.912 14.571 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.475 -1.030 13.745 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.211 -0.081 12.179 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.477 -0.953 13.021 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.144 1.496 13.692 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.222 0.335 15.002 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.476 0.991 13.840 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.291 2.180 14.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.669 1.002 16.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.638 -0.066 16.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.847 -0.396 15.553 1.00 0.00 H new ATOM 815 N ASP A 57 2.085 -2.759 12.904 1.00 0.00 N ATOM 816 CA ASP A 57 3.371 -3.381 13.196 1.00 0.00 C ATOM 817 C ASP A 57 3.948 -2.849 14.504 1.00 0.00 C ATOM 818 O ASP A 57 3.308 -2.063 15.202 1.00 0.00 O ATOM 819 CB ASP A 57 4.354 -3.131 12.051 1.00 0.00 C ATOM 820 CG ASP A 57 4.188 -4.124 10.918 1.00 0.00 C ATOM 821 OD1 ASP A 57 3.097 -4.721 10.807 1.00 0.00 O ATOM 822 OD2 ASP A 57 5.150 -4.306 10.142 1.00 0.00 O ATOM 0 H ASP A 57 2.139 -1.767 12.674 1.00 0.00 H new ATOM 0 HA ASP A 57 3.212 -4.454 13.300 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.212 -2.120 11.668 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.373 -3.187 12.433 1.00 0.00 H new ATOM 827 N ALA A 58 5.161 -3.283 14.830 1.00 0.00 N ATOM 828 CA ALA A 58 5.824 -2.850 16.053 1.00 0.00 C ATOM 829 C ALA A 58 6.130 -1.357 16.012 1.00 0.00 C ATOM 830 O ALA A 58 6.071 -0.673 17.034 1.00 0.00 O ATOM 831 CB ALA A 58 7.102 -3.647 16.271 1.00 0.00 C ATOM 0 H ALA A 58 5.704 -3.934 14.264 1.00 0.00 H new ATOM 0 HA ALA A 58 5.148 -3.033 16.888 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.587 -3.313 17.188 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.860 -4.707 16.353 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.775 -3.493 15.428 1.00 0.00 H new ATOM 837 N ASP A 59 6.458 -0.857 14.826 1.00 0.00 N ATOM 838 CA ASP A 59 6.773 0.556 14.652 1.00 0.00 C ATOM 839 C ASP A 59 5.501 1.379 14.474 1.00 0.00 C ATOM 840 O ASP A 59 5.554 2.600 14.337 1.00 0.00 O ATOM 841 CB ASP A 59 7.694 0.750 13.445 1.00 0.00 C ATOM 842 CG ASP A 59 9.159 0.600 13.805 1.00 0.00 C ATOM 843 OD1 ASP A 59 9.510 -0.409 14.451 1.00 0.00 O ATOM 844 OD2 ASP A 59 9.954 1.492 13.441 1.00 0.00 O ATOM 0 H ASP A 59 6.513 -1.409 13.970 1.00 0.00 H new ATOM 0 HA ASP A 59 7.285 0.902 15.550 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.436 0.024 12.674 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.527 1.739 13.019 1.00 0.00 H new ATOM 849 N GLY A 60 4.358 0.700 14.478 1.00 0.00 N ATOM 850 CA GLY A 60 3.088 1.384 14.315 1.00 0.00 C ATOM 851 C GLY A 60 2.834 1.800 12.880 1.00 0.00 C ATOM 852 O GLY A 60 2.656 2.984 12.591 1.00 0.00 O ATOM 0 H GLY A 60 4.289 -0.311 14.591 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.282 0.731 14.649 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.069 2.266 14.955 1.00 0.00 H new ATOM 856 N PHE A 61 2.817 0.825 11.977 1.00 0.00 N ATOM 857 CA PHE A 61 2.585 1.097 10.563 1.00 0.00 C ATOM 858 C PHE A 61 1.677 0.036 9.948 1.00 0.00 C ATOM 859 O PHE A 61 1.729 -1.135 10.324 1.00 0.00 O ATOM 860 CB PHE A 61 3.914 1.148 9.807 1.00 0.00 C ATOM 861 CG PHE A 61 4.575 2.496 9.848 1.00 0.00 C ATOM 862 CD1 PHE A 61 5.356 2.867 10.931 1.00 0.00 C ATOM 863 CD2 PHE A 61 4.416 3.393 8.804 1.00 0.00 C ATOM 864 CE1 PHE A 61 5.966 4.106 10.972 1.00 0.00 C ATOM 865 CE2 PHE A 61 5.025 4.633 8.839 1.00 0.00 C ATOM 866 CZ PHE A 61 5.800 4.991 9.925 1.00 0.00 C ATOM 0 H PHE A 61 2.961 -0.160 12.199 1.00 0.00 H new ATOM 0 HA PHE A 61 2.091 2.065 10.481 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.592 0.407 10.230 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.743 0.868 8.768 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.489 2.179 11.753 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.809 3.120 7.953 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.572 4.382 11.822 1.00 0.00 H new ATOM 0 HE2 PHE A 61 4.895 5.322 8.018 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.275 5.961 9.955 1.00 0.00 H new ATOM 876 N TYR A 62 0.846 0.455 9.000 1.00 0.00 N ATOM 877 CA TYR A 62 -0.076 -0.458 8.334 1.00 0.00 C ATOM 878 C TYR A 62 0.497 -0.936 7.004 1.00 0.00 C ATOM 879 O TYR A 62 0.331 -0.283 5.973 1.00 0.00 O ATOM 880 CB TYR A 62 -1.426 0.225 8.105 1.00 0.00 C ATOM 881 CG TYR A 62 -2.365 0.122 9.285 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.674 -1.111 9.847 1.00 0.00 C ATOM 883 CD2 TYR A 62 -2.942 1.257 9.840 1.00 0.00 C ATOM 884 CE1 TYR A 62 -3.532 -1.210 10.925 1.00 0.00 C ATOM 885 CE2 TYR A 62 -3.800 1.168 10.919 1.00 0.00 C ATOM 886 CZ TYR A 62 -4.092 -0.068 11.458 1.00 0.00 C ATOM 887 OH TYR A 62 -4.946 -0.162 12.533 1.00 0.00 O ATOM 0 H TYR A 62 0.792 1.420 8.675 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.219 -1.325 8.979 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.257 1.277 7.877 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.904 -0.218 7.231 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.236 -2.007 9.434 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.716 2.226 9.421 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.763 -2.176 11.348 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.240 2.061 11.338 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.252 0.734 12.787 1.00 0.00 H new ATOM 897 N ARG A 63 1.171 -2.080 7.035 1.00 0.00 N ATOM 898 CA ARG A 63 1.770 -2.647 5.832 1.00 0.00 C ATOM 899 C ARG A 63 0.706 -2.928 4.775 1.00 0.00 C ATOM 900 O ARG A 63 0.009 -3.940 4.834 1.00 0.00 O ATOM 901 CB ARG A 63 2.521 -3.937 6.170 1.00 0.00 C ATOM 902 CG ARG A 63 3.627 -4.274 5.183 1.00 0.00 C ATOM 903 CD ARG A 63 4.118 -5.702 5.364 1.00 0.00 C ATOM 904 NE ARG A 63 3.129 -6.681 4.922 1.00 0.00 N ATOM 905 CZ ARG A 63 3.427 -7.939 4.615 1.00 0.00 C ATOM 906 NH1 ARG A 63 4.678 -8.368 4.702 1.00 0.00 N ATOM 907 NH2 ARG A 63 2.471 -8.771 4.220 1.00 0.00 N ATOM 0 H ARG A 63 1.316 -2.633 7.880 1.00 0.00 H new ATOM 0 HA ARG A 63 2.474 -1.919 5.429 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.951 -3.846 7.168 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.811 -4.763 6.203 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.261 -4.140 4.165 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.459 -3.582 5.316 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.042 -5.841 4.803 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.354 -5.874 6.414 1.00 0.00 H new ATOM 0 HE ARG A 63 2.157 -6.383 4.845 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.415 -7.732 5.005 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.903 -9.334 4.466 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.507 -8.445 4.152 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.700 -9.737 3.984 1.00 0.00 H new ATOM 921 N GLY A 64 0.586 -2.022 3.809 1.00 0.00 N ATOM 922 CA GLY A 64 -0.396 -2.190 2.753 1.00 0.00 C ATOM 923 C GLY A 64 0.216 -2.080 1.370 1.00 0.00 C ATOM 924 O GLY A 64 1.360 -1.652 1.223 1.00 0.00 O ATOM 0 H GLY A 64 1.151 -1.175 3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.876 -3.163 2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.176 -1.437 2.863 1.00 0.00 H new ATOM 928 N GLU A 65 -0.548 -2.469 0.354 1.00 0.00 N ATOM 929 CA GLU A 65 -0.073 -2.414 -1.023 1.00 0.00 C ATOM 930 C GLU A 65 -0.796 -1.322 -1.805 1.00 0.00 C ATOM 931 O GLU A 65 -2.017 -1.186 -1.723 1.00 0.00 O ATOM 932 CB GLU A 65 -0.275 -3.767 -1.710 1.00 0.00 C ATOM 933 CG GLU A 65 0.159 -3.781 -3.166 1.00 0.00 C ATOM 934 CD GLU A 65 -0.534 -4.863 -3.971 1.00 0.00 C ATOM 935 OE1 GLU A 65 -0.813 -5.939 -3.402 1.00 0.00 O ATOM 936 OE2 GLU A 65 -0.798 -4.633 -5.170 1.00 0.00 O ATOM 0 H GLU A 65 -1.498 -2.825 0.459 1.00 0.00 H new ATOM 0 HA GLU A 65 0.991 -2.179 -1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.284 -4.528 -1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.328 -4.041 -1.651 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.051 -2.810 -3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.238 -3.929 -3.218 1.00 0.00 H new ATOM 943 N THR A 66 -0.032 -0.542 -2.565 1.00 0.00 N ATOM 944 CA THR A 66 -0.598 0.540 -3.360 1.00 0.00 C ATOM 945 C THR A 66 0.264 0.832 -4.583 1.00 0.00 C ATOM 946 O THR A 66 1.482 0.651 -4.553 1.00 0.00 O ATOM 947 CB THR A 66 -0.745 1.830 -2.531 1.00 0.00 C ATOM 948 OG1 THR A 66 -1.497 2.802 -3.266 1.00 0.00 O ATOM 949 CG2 THR A 66 0.618 2.401 -2.172 1.00 0.00 C ATOM 0 H THR A 66 0.980 -0.640 -2.646 1.00 0.00 H new ATOM 0 HA THR A 66 -1.585 0.211 -3.684 1.00 0.00 H new ATOM 0 HB THR A 66 -1.272 1.585 -1.609 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.446 2.727 -3.032 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.488 3.311 -1.587 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.176 1.670 -1.587 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.168 2.631 -3.085 1.00 0.00 H new ATOM 957 N CYS A 67 -0.374 1.285 -5.657 1.00 0.00 N ATOM 958 CA CYS A 67 0.336 1.602 -6.891 1.00 0.00 C ATOM 959 C CYS A 67 1.252 0.454 -7.302 1.00 0.00 C ATOM 960 O CYS A 67 2.267 0.664 -7.965 1.00 0.00 O ATOM 961 CB CYS A 67 1.151 2.885 -6.720 1.00 0.00 C ATOM 962 SG CYS A 67 1.417 3.800 -8.256 1.00 0.00 S ATOM 0 H CYS A 67 -1.381 1.441 -5.698 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.403 1.752 -7.678 1.00 0.00 H new ATOM 0 HB2 CYS A 67 0.642 3.534 -6.007 1.00 0.00 H new ATOM 0 HB3 CYS A 67 2.119 2.633 -6.287 1.00 0.00 H new ATOM 0 HG CYS A 67 2.114 4.869 -8.009 1.00 0.00 H new ATOM 968 N ALA A 68 0.887 -0.760 -6.901 1.00 0.00 N ATOM 969 CA ALA A 68 1.676 -1.941 -7.228 1.00 0.00 C ATOM 970 C ALA A 68 2.949 -2.000 -6.391 1.00 0.00 C ATOM 971 O ALA A 68 3.964 -2.545 -6.825 1.00 0.00 O ATOM 972 CB ALA A 68 2.016 -1.955 -8.711 1.00 0.00 C ATOM 0 H ALA A 68 0.050 -0.951 -6.350 1.00 0.00 H new ATOM 0 HA ALA A 68 1.078 -2.822 -6.995 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.605 -2.843 -8.941 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.096 -1.969 -9.295 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.591 -1.063 -8.961 1.00 0.00 H new ATOM 978 N ARG A 69 2.889 -1.435 -5.190 1.00 0.00 N ATOM 979 CA ARG A 69 4.038 -1.421 -4.293 1.00 0.00 C ATOM 980 C ARG A 69 3.683 -2.043 -2.945 1.00 0.00 C ATOM 981 O ARG A 69 2.510 -2.259 -2.639 1.00 0.00 O ATOM 982 CB ARG A 69 4.537 0.011 -4.091 1.00 0.00 C ATOM 983 CG ARG A 69 5.533 0.463 -5.146 1.00 0.00 C ATOM 984 CD ARG A 69 4.834 1.123 -6.325 1.00 0.00 C ATOM 985 NE ARG A 69 5.576 0.946 -7.570 1.00 0.00 N ATOM 986 CZ ARG A 69 5.209 1.487 -8.727 1.00 0.00 C ATOM 987 NH1 ARG A 69 4.117 2.234 -8.797 1.00 0.00 N ATOM 988 NH2 ARG A 69 5.937 1.280 -9.817 1.00 0.00 N ATOM 0 H ARG A 69 2.056 -0.981 -4.815 1.00 0.00 H new ATOM 0 HA ARG A 69 4.831 -2.013 -4.749 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.683 0.688 -4.096 1.00 0.00 H new ATOM 0 HB3 ARG A 69 5.001 0.090 -3.108 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.241 1.163 -4.703 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.108 -0.394 -5.496 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.835 0.702 -6.436 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.711 2.187 -6.124 1.00 0.00 H new ATOM 0 HE ARG A 69 6.422 0.376 -7.551 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.555 2.395 -7.961 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.838 2.648 -9.687 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.778 0.706 -9.767 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.655 1.695 -10.705 1.00 0.00 H new ATOM 1002 N LEU A 70 4.704 -2.328 -2.144 1.00 0.00 N ATOM 1003 CA LEU A 70 4.501 -2.925 -0.829 1.00 0.00 C ATOM 1004 C LEU A 70 5.451 -2.317 0.198 1.00 0.00 C ATOM 1005 O LEU A 70 6.645 -2.615 0.207 1.00 0.00 O ATOM 1006 CB LEU A 70 4.706 -4.439 -0.897 1.00 0.00 C ATOM 1007 CG LEU A 70 3.892 -5.273 0.093 1.00 0.00 C ATOM 1008 CD1 LEU A 70 2.454 -4.781 0.149 1.00 0.00 C ATOM 1009 CD2 LEU A 70 3.940 -6.746 -0.284 1.00 0.00 C ATOM 0 H LEU A 70 5.681 -2.155 -2.382 1.00 0.00 H new ATOM 0 HA LEU A 70 3.477 -2.717 -0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.465 -4.773 -1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.763 -4.650 -0.735 1.00 0.00 H new ATOM 0 HG LEU A 70 4.332 -5.158 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.890 -5.386 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.438 -3.739 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.002 -4.865 -0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.355 -7.324 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.526 -6.880 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.974 -7.091 -0.271 1.00 0.00 H new ATOM 1021 N GLY A 71 4.912 -1.465 1.064 1.00 0.00 N ATOM 1022 CA GLY A 71 5.725 -0.830 2.085 1.00 0.00 C ATOM 1023 C GLY A 71 4.961 -0.597 3.373 1.00 0.00 C ATOM 1024 O GLY A 71 4.024 -1.332 3.690 1.00 0.00 O ATOM 0 H GLY A 71 3.926 -1.203 1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.596 -1.452 2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.096 0.123 1.709 1.00 0.00 H new ATOM 1028 N LEU A 72 5.362 0.426 4.120 1.00 0.00 N ATOM 1029 CA LEU A 72 4.710 0.752 5.383 1.00 0.00 C ATOM 1030 C LEU A 72 3.908 2.044 5.263 1.00 0.00 C ATOM 1031 O LEU A 72 4.316 2.978 4.572 1.00 0.00 O ATOM 1032 CB LEU A 72 5.750 0.886 6.497 1.00 0.00 C ATOM 1033 CG LEU A 72 6.577 -0.365 6.796 1.00 0.00 C ATOM 1034 CD1 LEU A 72 7.608 -0.077 7.876 1.00 0.00 C ATOM 1035 CD2 LEU A 72 5.672 -1.515 7.214 1.00 0.00 C ATOM 0 H LEU A 72 6.135 1.044 3.873 1.00 0.00 H new ATOM 0 HA LEU A 72 4.025 -0.059 5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.432 1.694 6.234 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.238 1.186 7.411 1.00 0.00 H new ATOM 0 HG LEU A 72 7.104 -0.655 5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.187 -0.979 8.076 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.276 0.716 7.539 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.101 0.238 8.788 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.277 -2.397 7.423 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.118 -1.235 8.110 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.972 -1.738 6.409 1.00 0.00 H new ATOM 1047 N ILE A 73 2.767 2.091 5.943 1.00 0.00 N ATOM 1048 CA ILE A 73 1.909 3.270 5.915 1.00 0.00 C ATOM 1049 C ILE A 73 1.654 3.797 7.323 1.00 0.00 C ATOM 1050 O ILE A 73 1.380 3.042 8.255 1.00 0.00 O ATOM 1051 CB ILE A 73 0.559 2.968 5.239 1.00 0.00 C ATOM 1052 CG1 ILE A 73 0.769 2.610 3.766 1.00 0.00 C ATOM 1053 CG2 ILE A 73 -0.378 4.159 5.372 1.00 0.00 C ATOM 1054 CD1 ILE A 73 0.992 1.132 3.530 1.00 0.00 C ATOM 0 H ILE A 73 2.415 1.327 6.520 1.00 0.00 H new ATOM 0 HA ILE A 73 2.434 4.029 5.335 1.00 0.00 H new ATOM 0 HB ILE A 73 0.103 2.114 5.739 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.100 2.934 3.194 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.626 3.164 3.384 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.328 3.930 4.889 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.549 4.371 6.427 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.071 5.030 4.895 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.133 0.951 2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.878 0.806 4.074 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.125 0.573 3.881 1.00 0.00 H new ATOM 1066 N PRO A 74 1.744 5.126 7.482 1.00 0.00 N ATOM 1067 CA PRO A 74 1.524 5.785 8.772 1.00 0.00 C ATOM 1068 C PRO A 74 0.064 5.734 9.208 1.00 0.00 C ATOM 1069 O PRO A 74 -0.787 6.421 8.643 1.00 0.00 O ATOM 1070 CB PRO A 74 1.953 7.231 8.510 1.00 0.00 C ATOM 1071 CG PRO A 74 1.771 7.420 7.044 1.00 0.00 C ATOM 1072 CD PRO A 74 2.068 6.087 6.414 1.00 0.00 C ATOM 0 HA PRO A 74 2.078 5.300 9.576 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.344 7.934 9.078 1.00 0.00 H new ATOM 0 HB3 PRO A 74 2.989 7.396 8.805 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.755 7.742 6.815 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.443 8.190 6.663 1.00 0.00 H new ATOM 0 HD2 PRO A 74 1.461 5.919 5.524 1.00 0.00 H new ATOM 0 HD3 PRO A 74 3.111 6.011 6.107 1.00 0.00 H new ATOM 1080 N CYS A 75 -0.219 4.916 10.216 1.00 0.00 N ATOM 1081 CA CYS A 75 -1.578 4.775 10.727 1.00 0.00 C ATOM 1082 C CYS A 75 -2.126 6.120 11.193 1.00 0.00 C ATOM 1083 O CYS A 75 -3.327 6.269 11.411 1.00 0.00 O ATOM 1084 CB CYS A 75 -1.609 3.771 11.881 1.00 0.00 C ATOM 1085 SG CYS A 75 -3.099 3.864 12.900 1.00 0.00 S ATOM 0 H CYS A 75 0.474 4.341 10.695 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.208 4.407 9.917 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -1.522 2.763 11.474 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -0.737 3.935 12.515 1.00 0.00 H new ATOM 0 HG CYS A 75 -3.811 4.888 12.535 1.00 0.00 H new ATOM 1091 N ASN A 76 -1.237 7.095 11.343 1.00 0.00 N ATOM 1092 CA ASN A 76 -1.631 8.428 11.785 1.00 0.00 C ATOM 1093 C ASN A 76 -2.214 9.234 10.628 1.00 0.00 C ATOM 1094 O ASN A 76 -3.197 9.956 10.794 1.00 0.00 O ATOM 1095 CB ASN A 76 -0.432 9.166 12.382 1.00 0.00 C ATOM 1096 CG ASN A 76 0.252 8.369 13.476 1.00 0.00 C ATOM 1097 OD1 ASN A 76 -0.165 8.400 14.634 1.00 0.00 O ATOM 1098 ND2 ASN A 76 1.307 7.649 13.113 1.00 0.00 N ATOM 0 H ASN A 76 -0.238 6.988 11.165 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.398 8.317 12.551 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.287 9.384 11.592 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.762 10.123 12.786 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.807 7.092 13.806 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.617 7.653 12.141 1.00 0.00 H new ATOM 1105 N MET A 77 -1.600 9.106 9.456 1.00 0.00 N ATOM 1106 CA MET A 77 -2.059 9.821 8.271 1.00 0.00 C ATOM 1107 C MET A 77 -3.328 9.187 7.711 1.00 0.00 C ATOM 1108 O MET A 77 -4.410 9.771 7.785 1.00 0.00 O ATOM 1109 CB MET A 77 -0.966 9.832 7.201 1.00 0.00 C ATOM 1110 CG MET A 77 0.403 10.225 7.733 1.00 0.00 C ATOM 1111 SD MET A 77 0.668 12.009 7.718 1.00 0.00 S ATOM 1112 CE MET A 77 0.925 12.298 5.969 1.00 0.00 C ATOM 0 H MET A 77 -0.784 8.514 9.302 1.00 0.00 H new ATOM 0 HA MET A 77 -2.284 10.847 8.561 1.00 0.00 H new ATOM 0 HB2 MET A 77 -0.901 8.842 6.750 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.251 10.525 6.409 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.513 9.854 8.752 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.174 9.742 7.133 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.376 13.280 5.825 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.588 11.532 5.567 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.032 12.259 5.449 1.00 0.00 H new ATOM 1122 N VAL A 78 -3.189 7.990 7.150 1.00 0.00 N ATOM 1123 CA VAL A 78 -4.325 7.277 6.579 1.00 0.00 C ATOM 1124 C VAL A 78 -5.444 7.115 7.602 1.00 0.00 C ATOM 1125 O VAL A 78 -5.302 7.508 8.760 1.00 0.00 O ATOM 1126 CB VAL A 78 -3.913 5.887 6.061 1.00 0.00 C ATOM 1127 CG1 VAL A 78 -2.983 6.016 4.864 1.00 0.00 C ATOM 1128 CG2 VAL A 78 -3.257 5.079 7.171 1.00 0.00 C ATOM 0 H VAL A 78 -2.301 7.494 7.079 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.686 7.876 5.743 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.810 5.358 5.738 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.703 5.023 4.512 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.492 6.554 4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.087 6.563 5.157 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.972 4.099 6.788 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.369 5.602 7.526 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.959 4.956 7.995 1.00 0.00 H new ATOM 1138 N SER A 79 -6.557 6.533 7.167 1.00 0.00 N ATOM 1139 CA SER A 79 -7.702 6.322 8.044 1.00 0.00 C ATOM 1140 C SER A 79 -8.509 5.105 7.600 1.00 0.00 C ATOM 1141 O SER A 79 -8.547 4.771 6.417 1.00 0.00 O ATOM 1142 CB SER A 79 -8.597 7.563 8.059 1.00 0.00 C ATOM 1143 OG SER A 79 -9.425 7.581 9.208 1.00 0.00 O ATOM 0 H SER A 79 -6.690 6.199 6.212 1.00 0.00 H new ATOM 0 HA SER A 79 -7.327 6.141 9.052 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.979 8.461 8.038 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.215 7.580 7.161 1.00 0.00 H new ATOM 0 HG SER A 79 -9.986 8.385 9.195 1.00 0.00 H new ATOM 1149 N GLU A 80 -9.153 4.448 8.560 1.00 0.00 N ATOM 1150 CA GLU A 80 -9.958 3.268 8.269 1.00 0.00 C ATOM 1151 C GLU A 80 -11.283 3.660 7.622 1.00 0.00 C ATOM 1152 O GLU A 80 -12.032 4.475 8.162 1.00 0.00 O ATOM 1153 CB GLU A 80 -10.218 2.472 9.549 1.00 0.00 C ATOM 1154 CG GLU A 80 -11.208 1.334 9.368 1.00 0.00 C ATOM 1155 CD GLU A 80 -11.448 0.559 10.649 1.00 0.00 C ATOM 1156 OE1 GLU A 80 -11.632 1.200 11.705 1.00 0.00 O ATOM 1157 OE2 GLU A 80 -11.453 -0.689 10.596 1.00 0.00 O ATOM 0 H GLU A 80 -9.133 4.713 9.545 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.402 2.644 7.569 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.274 2.066 9.913 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.592 3.148 10.318 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.155 1.736 9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.838 0.654 8.601 1.00 0.00 H new ATOM 1164 N ILE A 81 -11.566 3.073 6.464 1.00 0.00 N ATOM 1165 CA ILE A 81 -12.801 3.361 5.744 1.00 0.00 C ATOM 1166 C ILE A 81 -13.982 2.620 6.362 1.00 0.00 C ATOM 1167 O ILE A 81 -15.029 3.211 6.625 1.00 0.00 O ATOM 1168 CB ILE A 81 -12.688 2.975 4.257 1.00 0.00 C ATOM 1169 CG1 ILE A 81 -11.468 3.647 3.625 1.00 0.00 C ATOM 1170 CG2 ILE A 81 -13.957 3.362 3.513 1.00 0.00 C ATOM 1171 CD1 ILE A 81 -11.312 3.352 2.150 1.00 0.00 C ATOM 0 H ILE A 81 -10.958 2.396 6.004 1.00 0.00 H new ATOM 0 HA ILE A 81 -12.969 4.435 5.820 1.00 0.00 H new ATOM 0 HB ILE A 81 -12.562 1.895 4.185 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.544 4.725 3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -10.570 3.319 4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -13.863 3.083 2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -14.809 2.842 3.951 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -14.110 4.438 3.590 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -10.427 3.861 1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -11.204 2.277 2.003 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -12.193 3.705 1.613 1.00 0.00 H new ATOM 1183 N GLN A 82 -13.805 1.323 6.592 1.00 0.00 N ATOM 1184 CA GLN A 82 -14.857 0.502 7.180 1.00 0.00 C ATOM 1185 C GLN A 82 -14.538 0.168 8.634 1.00 0.00 C ATOM 1186 O GLN A 82 -13.386 -0.084 8.985 1.00 0.00 O ATOM 1187 CB GLN A 82 -15.036 -0.788 6.376 1.00 0.00 C ATOM 1188 CG GLN A 82 -16.001 -0.648 5.210 1.00 0.00 C ATOM 1189 CD GLN A 82 -17.434 -0.955 5.599 1.00 0.00 C ATOM 1190 OE1 GLN A 82 -17.687 -1.751 6.503 1.00 0.00 O ATOM 1191 NE2 GLN A 82 -18.381 -0.323 4.916 1.00 0.00 N ATOM 0 H GLN A 82 -12.944 0.818 6.380 1.00 0.00 H new ATOM 0 HA GLN A 82 -15.786 1.072 7.152 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -14.065 -1.108 5.997 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.394 -1.574 7.041 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -15.945 0.367 4.816 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -15.695 -1.319 4.407 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -18.126 0.329 4.174 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -19.364 -0.489 5.133 1.00 0.00 H new ATOM 1200 N ALA A 83 -15.567 0.170 9.475 1.00 0.00 N ATOM 1201 CA ALA A 83 -15.397 -0.134 10.890 1.00 0.00 C ATOM 1202 C ALA A 83 -15.512 -1.632 11.148 1.00 0.00 C ATOM 1203 O ALA A 83 -16.359 -2.076 11.923 1.00 0.00 O ATOM 1204 CB ALA A 83 -16.421 0.626 11.720 1.00 0.00 C ATOM 0 H ALA A 83 -16.527 0.379 9.201 1.00 0.00 H new ATOM 0 HA ALA A 83 -14.397 0.183 11.186 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -16.282 0.389 12.775 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -16.290 1.697 11.568 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -17.426 0.337 11.412 1.00 0.00 H new ATOM 1210 N ASP A 84 -14.654 -2.408 10.493 1.00 0.00 N ATOM 1211 CA ASP A 84 -14.659 -3.857 10.652 1.00 0.00 C ATOM 1212 C ASP A 84 -14.495 -4.244 12.118 1.00 0.00 C ATOM 1213 O ASP A 84 -15.285 -5.020 12.658 1.00 0.00 O ATOM 1214 CB ASP A 84 -13.542 -4.487 9.818 1.00 0.00 C ATOM 1215 CG ASP A 84 -13.639 -5.999 9.767 1.00 0.00 C ATOM 1216 OD1 ASP A 84 -13.131 -6.657 10.698 1.00 0.00 O ATOM 1217 OD2 ASP A 84 -14.224 -6.524 8.796 1.00 0.00 O ATOM 0 H ASP A 84 -13.947 -2.057 9.847 1.00 0.00 H new ATOM 0 HA ASP A 84 -15.620 -4.232 10.301 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.581 -4.089 8.804 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -12.576 -4.202 10.235 1.00 0.00 H new ATOM 1222 N ASP A 85 -13.466 -3.699 12.757 1.00 0.00 N ATOM 1223 CA ASP A 85 -13.199 -3.987 14.162 1.00 0.00 C ATOM 1224 C ASP A 85 -14.422 -3.684 15.021 1.00 0.00 C ATOM 1225 O ASP A 85 -15.334 -2.979 14.591 1.00 0.00 O ATOM 1226 CB ASP A 85 -12.001 -3.173 14.652 1.00 0.00 C ATOM 1227 CG ASP A 85 -10.848 -3.187 13.667 1.00 0.00 C ATOM 1228 OD1 ASP A 85 -10.196 -4.243 13.533 1.00 0.00 O ATOM 1229 OD2 ASP A 85 -10.599 -2.142 13.031 1.00 0.00 O ATOM 0 H ASP A 85 -12.803 -3.055 12.325 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.969 -5.049 14.253 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.313 -2.143 14.827 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.662 -3.571 15.609 1.00 0.00 H new ATOM 1234 N GLU A 86 -14.433 -4.222 16.237 1.00 0.00 N ATOM 1235 CA GLU A 86 -15.546 -4.010 17.155 1.00 0.00 C ATOM 1236 C GLU A 86 -15.203 -2.940 18.187 1.00 0.00 C ATOM 1237 O GLU A 86 -14.045 -2.547 18.328 1.00 0.00 O ATOM 1238 CB GLU A 86 -15.909 -5.318 17.862 1.00 0.00 C ATOM 1239 CG GLU A 86 -14.781 -5.888 18.705 1.00 0.00 C ATOM 1240 CD GLU A 86 -15.242 -7.011 19.613 1.00 0.00 C ATOM 1241 OE1 GLU A 86 -15.807 -6.713 20.686 1.00 0.00 O ATOM 1242 OE2 GLU A 86 -15.038 -8.188 19.251 1.00 0.00 O ATOM 0 H GLU A 86 -13.685 -4.807 16.609 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.403 -3.669 16.574 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -16.777 -5.148 18.499 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -16.201 -6.056 17.115 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.993 -6.257 18.049 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.346 -5.092 19.310 1.00 0.00 H new ATOM 1249 N GLU A 87 -16.219 -2.472 18.906 1.00 0.00 N ATOM 1250 CA GLU A 87 -16.025 -1.446 19.924 1.00 0.00 C ATOM 1251 C GLU A 87 -16.029 -2.059 21.321 1.00 0.00 C ATOM 1252 O GLU A 87 -16.647 -3.098 21.553 1.00 0.00 O ATOM 1253 CB GLU A 87 -17.117 -0.379 19.819 1.00 0.00 C ATOM 1254 CG GLU A 87 -16.910 0.592 18.669 1.00 0.00 C ATOM 1255 CD GLU A 87 -15.553 1.268 18.713 1.00 0.00 C ATOM 1256 OE1 GLU A 87 -15.152 1.725 19.803 1.00 0.00 O ATOM 1257 OE2 GLU A 87 -14.892 1.338 17.656 1.00 0.00 O ATOM 0 H GLU A 87 -17.184 -2.787 18.802 1.00 0.00 H new ATOM 0 HA GLU A 87 -15.055 -0.980 19.754 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -18.083 -0.870 19.700 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -17.157 0.181 20.753 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -17.015 0.058 17.724 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -17.691 1.352 18.695 1.00 0.00 H new ATOM 1264 N MET A 88 -15.336 -1.407 22.249 1.00 0.00 N ATOM 1265 CA MET A 88 -15.260 -1.887 23.624 1.00 0.00 C ATOM 1266 C MET A 88 -16.644 -1.918 24.266 1.00 0.00 C ATOM 1267 O MET A 88 -17.627 -1.489 23.663 1.00 0.00 O ATOM 1268 CB MET A 88 -14.324 -0.999 24.446 1.00 0.00 C ATOM 1269 CG MET A 88 -14.796 0.442 24.559 1.00 0.00 C ATOM 1270 SD MET A 88 -15.902 0.703 25.958 1.00 0.00 S ATOM 1271 CE MET A 88 -15.160 2.148 26.711 1.00 0.00 C ATOM 0 H MET A 88 -14.819 -0.545 22.074 1.00 0.00 H new ATOM 0 HA MET A 88 -14.864 -2.902 23.607 1.00 0.00 H new ATOM 0 HB2 MET A 88 -14.224 -1.419 25.447 1.00 0.00 H new ATOM 0 HB3 MET A 88 -13.333 -1.013 23.993 1.00 0.00 H new ATOM 0 HG2 MET A 88 -13.930 1.097 24.658 1.00 0.00 H new ATOM 0 HG3 MET A 88 -15.307 0.726 23.639 1.00 0.00 H new ATOM 0 HE1 MET A 88 -15.733 2.434 27.593 1.00 0.00 H new ATOM 0 HE2 MET A 88 -14.135 1.920 27.003 1.00 0.00 H new ATOM 0 HE3 MET A 88 -15.160 2.971 25.996 1.00 0.00 H new ATOM 1281 N MET A 89 -16.712 -2.428 25.491 1.00 0.00 N ATOM 1282 CA MET A 89 -17.975 -2.513 26.214 1.00 0.00 C ATOM 1283 C MET A 89 -17.737 -2.588 27.719 1.00 0.00 C ATOM 1284 O MET A 89 -16.681 -3.034 28.168 1.00 0.00 O ATOM 1285 CB MET A 89 -18.771 -3.735 25.751 1.00 0.00 C ATOM 1286 CG MET A 89 -20.276 -3.558 25.861 1.00 0.00 C ATOM 1287 SD MET A 89 -21.161 -5.128 25.881 1.00 0.00 S ATOM 1288 CE MET A 89 -21.907 -5.117 24.252 1.00 0.00 C ATOM 0 H MET A 89 -15.907 -2.789 26.004 1.00 0.00 H new ATOM 0 HA MET A 89 -18.549 -1.611 25.999 1.00 0.00 H new ATOM 0 HB2 MET A 89 -18.514 -3.954 24.715 1.00 0.00 H new ATOM 0 HB3 MET A 89 -18.471 -4.599 26.343 1.00 0.00 H new ATOM 0 HG2 MET A 89 -20.507 -3.004 26.771 1.00 0.00 H new ATOM 0 HG3 MET A 89 -20.629 -2.957 25.023 1.00 0.00 H new ATOM 0 HE1 MET A 89 -22.490 -6.027 24.113 1.00 0.00 H new ATOM 0 HE2 MET A 89 -22.560 -4.250 24.157 1.00 0.00 H new ATOM 0 HE3 MET A 89 -21.125 -5.067 23.494 1.00 0.00 H new ATOM 1298 N ASP A 90 -18.723 -2.148 28.492 1.00 0.00 N ATOM 1299 CA ASP A 90 -18.621 -2.166 29.947 1.00 0.00 C ATOM 1300 C ASP A 90 -18.488 -3.594 30.465 1.00 0.00 C ATOM 1301 O ASP A 90 -19.457 -4.352 30.477 1.00 0.00 O ATOM 1302 CB ASP A 90 -19.844 -1.494 30.574 1.00 0.00 C ATOM 1303 CG ASP A 90 -21.127 -1.828 29.839 1.00 0.00 C ATOM 1304 OD1 ASP A 90 -21.158 -2.860 29.138 1.00 0.00 O ATOM 1305 OD2 ASP A 90 -22.101 -1.055 29.965 1.00 0.00 O ATOM 0 H ASP A 90 -19.603 -1.774 28.136 1.00 0.00 H new ATOM 0 HA ASP A 90 -17.726 -1.611 30.231 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -19.933 -1.806 31.615 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -19.700 -0.414 30.576 1.00 0.00 H new ATOM 1310 N GLN A 91 -17.281 -3.954 30.889 1.00 0.00 N ATOM 1311 CA GLN A 91 -17.022 -5.293 31.407 1.00 0.00 C ATOM 1312 C GLN A 91 -16.520 -5.233 32.846 1.00 0.00 C ATOM 1313 O GLN A 91 -15.686 -4.395 33.188 1.00 0.00 O ATOM 1314 CB GLN A 91 -15.998 -6.013 30.527 1.00 0.00 C ATOM 1315 CG GLN A 91 -15.809 -7.478 30.887 1.00 0.00 C ATOM 1316 CD GLN A 91 -14.866 -8.195 29.941 1.00 0.00 C ATOM 1317 OE1 GLN A 91 -14.947 -8.031 28.723 1.00 0.00 O ATOM 1318 NE2 GLN A 91 -13.965 -8.995 30.498 1.00 0.00 N ATOM 0 H GLN A 91 -16.468 -3.338 30.884 1.00 0.00 H new ATOM 0 HA GLN A 91 -17.960 -5.849 31.392 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -16.312 -5.941 29.486 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -15.039 -5.501 30.607 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -15.423 -7.551 31.904 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -16.777 -7.978 30.877 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -13.934 -9.101 31.512 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -13.303 -9.504 29.912 1.00 0.00 H new ATOM 1327 N SER A 92 -17.035 -6.127 33.684 1.00 0.00 N ATOM 1328 CA SER A 92 -16.642 -6.173 35.088 1.00 0.00 C ATOM 1329 C SER A 92 -15.128 -6.305 35.225 1.00 0.00 C ATOM 1330 O SER A 92 -14.419 -6.494 34.238 1.00 0.00 O ATOM 1331 CB SER A 92 -17.333 -7.341 35.794 1.00 0.00 C ATOM 1332 OG SER A 92 -18.664 -7.006 36.150 1.00 0.00 O ATOM 0 H SER A 92 -17.725 -6.829 33.416 1.00 0.00 H new ATOM 0 HA SER A 92 -16.951 -5.239 35.557 1.00 0.00 H new ATOM 0 HB2 SER A 92 -17.336 -8.214 35.141 1.00 0.00 H new ATOM 0 HB3 SER A 92 -16.772 -7.613 36.688 1.00 0.00 H new ATOM 0 HG SER A 92 -19.085 -7.769 36.598 1.00 0.00 H new ATOM 1338 N GLY A 93 -14.641 -6.204 36.457 1.00 0.00 N ATOM 1339 CA GLY A 93 -13.215 -6.314 36.702 1.00 0.00 C ATOM 1340 C GLY A 93 -12.871 -7.476 37.613 1.00 0.00 C ATOM 1341 O GLY A 93 -13.689 -8.362 37.860 1.00 0.00 O ATOM 0 H GLY A 93 -15.208 -6.048 37.290 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.695 -6.435 35.752 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.854 -5.387 37.148 1.00 0.00 H new ATOM 1345 N PRO A 94 -11.632 -7.483 38.128 1.00 0.00 N ATOM 1346 CA PRO A 94 -11.153 -8.540 39.024 1.00 0.00 C ATOM 1347 C PRO A 94 -11.828 -8.491 40.391 1.00 0.00 C ATOM 1348 O PRO A 94 -11.953 -9.511 41.068 1.00 0.00 O ATOM 1349 CB PRO A 94 -9.658 -8.243 39.155 1.00 0.00 C ATOM 1350 CG PRO A 94 -9.536 -6.783 38.883 1.00 0.00 C ATOM 1351 CD PRO A 94 -10.605 -6.458 37.877 1.00 0.00 C ATOM 0 HA PRO A 94 -11.371 -9.534 38.635 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -9.291 -8.492 40.151 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -9.074 -8.828 38.444 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.671 -6.203 39.796 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.547 -6.540 38.494 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -10.998 -5.452 38.020 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -10.226 -6.510 36.856 1.00 0.00 H new ATOM 1359 N SER A 95 -12.261 -7.300 40.790 1.00 0.00 N ATOM 1360 CA SER A 95 -12.920 -7.118 42.078 1.00 0.00 C ATOM 1361 C SER A 95 -14.428 -6.970 41.900 1.00 0.00 C ATOM 1362 O SER A 95 -14.893 -6.202 41.058 1.00 0.00 O ATOM 1363 CB SER A 95 -12.356 -5.890 42.794 1.00 0.00 C ATOM 1364 OG SER A 95 -12.420 -6.046 44.201 1.00 0.00 O ATOM 0 H SER A 95 -12.167 -6.446 40.240 1.00 0.00 H new ATOM 0 HA SER A 95 -12.729 -8.003 42.685 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.322 -5.731 42.489 1.00 0.00 H new ATOM 0 HB3 SER A 95 -12.916 -5.003 42.497 1.00 0.00 H new ATOM 0 HG SER A 95 -12.052 -5.248 44.636 1.00 0.00 H new ATOM 1370 N SER A 96 -15.187 -7.712 42.701 1.00 0.00 N ATOM 1371 CA SER A 96 -16.643 -7.667 42.631 1.00 0.00 C ATOM 1372 C SER A 96 -17.136 -6.230 42.485 1.00 0.00 C ATOM 1373 O SER A 96 -17.041 -5.432 43.416 1.00 0.00 O ATOM 1374 CB SER A 96 -17.255 -8.304 43.880 1.00 0.00 C ATOM 1375 OG SER A 96 -16.879 -9.665 43.995 1.00 0.00 O ATOM 0 H SER A 96 -14.818 -8.351 43.405 1.00 0.00 H new ATOM 0 HA SER A 96 -16.957 -8.231 41.753 1.00 0.00 H new ATOM 0 HB2 SER A 96 -16.931 -7.758 44.766 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.341 -8.226 43.837 1.00 0.00 H new ATOM 0 HG SER A 96 -17.282 -10.049 44.802 1.00 0.00 H new ATOM 1381 N GLY A 97 -17.664 -5.909 41.308 1.00 0.00 N ATOM 1382 CA GLY A 97 -18.164 -4.569 41.060 1.00 0.00 C ATOM 1383 C GLY A 97 -17.755 -4.040 39.699 1.00 0.00 C ATOM 1384 O GLY A 97 -18.188 -4.558 38.669 1.00 0.00 O ATOM 0 H GLY A 97 -17.755 -6.553 40.522 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -19.251 -4.571 41.134 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -17.793 -3.897 41.834 1.00 0.00 H new TER 1388 GLY A 97