USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 611 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 42 THR OG1 : rot -46:sc= 0.751 USER MOD Set 1.2: A 43 THR OG1 : rot 180:sc= 0.833 USER MOD Set 1.3: A 73 THR OG1 : rot 80:sc= 0.951 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= 0.735 (180deg=0.0761) USER MOD Single : A 2 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00452) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 78:sc= 0.986 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 44:sc= 0.422 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -154:sc= 0.644 (180deg=0.186) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 14:sc= 0.32 USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= 1.17 (180deg=1.09) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0264 USER MOD Single : A 60 SER OG : rot -68:sc= 0.573 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 36:sc= 0.129 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.323 7.474 11.150 1.00 0.00 N ATOM 2 CA MET A 1 -5.209 6.616 11.982 1.00 0.00 C ATOM 3 C MET A 1 -5.988 5.667 11.061 1.00 0.00 C ATOM 4 O MET A 1 -5.716 4.454 10.998 1.00 0.00 O ATOM 5 CB MET A 1 -6.134 7.443 12.904 1.00 0.00 C ATOM 6 CG MET A 1 -5.386 8.380 13.862 1.00 0.00 C ATOM 7 SD MET A 1 -4.733 7.579 15.357 1.00 0.00 S ATOM 8 CE MET A 1 -3.960 9.008 16.161 1.00 0.00 C ATOM 0 H1 MET A 1 -3.574 7.881 11.746 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.892 6.901 10.397 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.882 8.241 10.725 1.00 0.00 H new ATOM 0 HA MET A 1 -4.595 6.022 12.659 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.810 8.035 12.287 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.752 6.761 13.488 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.559 8.842 13.324 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.059 9.183 14.162 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.506 8.695 17.101 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.192 9.422 15.507 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.716 9.768 16.358 1.00 0.00 H new ATOM 17 N LYS A 2 -6.973 6.201 10.328 1.00 0.00 N ATOM 18 CA LYS A 2 -7.560 5.552 9.141 1.00 0.00 C ATOM 19 C LYS A 2 -6.745 5.893 7.893 1.00 0.00 C ATOM 20 O LYS A 2 -6.262 7.020 7.748 1.00 0.00 O ATOM 21 CB LYS A 2 -9.037 5.961 8.982 1.00 0.00 C ATOM 22 CG LYS A 2 -9.979 5.065 9.809 1.00 0.00 C ATOM 23 CD LYS A 2 -11.062 5.869 10.548 1.00 0.00 C ATOM 24 CE LYS A 2 -10.527 6.595 11.794 1.00 0.00 C ATOM 25 NZ LYS A 2 -10.283 5.654 12.921 1.00 0.00 N ATOM 0 H LYS A 2 -7.392 7.106 10.542 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.528 4.471 9.274 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.161 6.999 9.291 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.317 5.906 7.930 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.456 4.340 9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.393 4.500 10.534 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.493 6.601 9.865 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.867 5.197 10.844 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -9.600 7.111 11.544 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.241 7.357 12.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -9.955 6.186 13.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.165 5.156 13.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -9.557 4.962 12.645 1.00 0.00 H new ATOM 39 N ILE A 3 -6.615 4.925 6.993 1.00 0.00 N ATOM 40 CA ILE A 3 -6.010 5.060 5.659 1.00 0.00 C ATOM 41 C ILE A 3 -6.969 4.508 4.599 1.00 0.00 C ATOM 42 O ILE A 3 -7.847 3.699 4.915 1.00 0.00 O ATOM 43 CB ILE A 3 -4.598 4.423 5.589 1.00 0.00 C ATOM 44 CG1 ILE A 3 -4.563 2.881 5.720 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.693 5.054 6.658 1.00 0.00 C ATOM 46 CD1 ILE A 3 -4.689 2.126 4.388 1.00 0.00 C ATOM 0 H ILE A 3 -6.942 3.976 7.176 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.855 6.119 5.450 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.234 4.636 4.584 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.629 2.591 6.201 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.372 2.566 6.379 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.701 4.605 6.607 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.615 6.127 6.481 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.120 4.879 7.646 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.655 1.052 4.574 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.636 2.382 3.913 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.866 2.407 3.731 1.00 0.00 H new ATOM 58 N LYS A 4 -6.817 4.945 3.345 1.00 0.00 N ATOM 59 CA LYS A 4 -7.689 4.559 2.227 1.00 0.00 C ATOM 60 C LYS A 4 -6.878 3.918 1.099 1.00 0.00 C ATOM 61 O LYS A 4 -6.197 4.614 0.345 1.00 0.00 O ATOM 62 CB LYS A 4 -8.483 5.800 1.791 1.00 0.00 C ATOM 63 CG LYS A 4 -9.696 5.447 0.914 1.00 0.00 C ATOM 64 CD LYS A 4 -10.481 6.685 0.439 1.00 0.00 C ATOM 65 CE LYS A 4 -10.985 7.558 1.600 1.00 0.00 C ATOM 66 NZ LYS A 4 -11.861 8.663 1.128 1.00 0.00 N ATOM 0 H LYS A 4 -6.073 5.587 3.072 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.402 3.793 2.533 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.823 6.339 2.676 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.825 6.473 1.241 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.356 4.884 0.044 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.364 4.794 1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.844 7.286 -0.210 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.332 6.361 -0.161 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.534 6.937 2.308 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.133 7.975 2.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.178 9.226 1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.330 9.271 0.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.688 8.265 0.639 1.00 0.00 H new ATOM 80 N ILE A 5 -6.917 2.590 0.998 1.00 0.00 N ATOM 81 CA ILE A 5 -6.221 1.852 -0.065 1.00 0.00 C ATOM 82 C ILE A 5 -7.105 1.736 -1.313 1.00 0.00 C ATOM 83 O ILE A 5 -8.319 1.562 -1.212 1.00 0.00 O ATOM 84 CB ILE A 5 -5.663 0.509 0.453 1.00 0.00 C ATOM 85 CG1 ILE A 5 -4.693 -0.097 -0.588 1.00 0.00 C ATOM 86 CG2 ILE A 5 -6.768 -0.494 0.830 1.00 0.00 C ATOM 87 CD1 ILE A 5 -3.740 -1.149 -0.006 1.00 0.00 C ATOM 0 H ILE A 5 -7.430 1.993 1.647 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.343 2.417 -0.378 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.118 0.718 1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.274 -0.551 -1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.105 0.705 -1.034 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.314 -1.418 1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.392 -0.069 1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.381 -0.706 -0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.091 -1.528 -0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.132 -0.696 0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.319 -1.972 0.414 1.00 0.00 H new ATOM 99 N VAL A 6 -6.498 1.849 -2.494 1.00 0.00 N ATOM 100 CA VAL A 6 -7.175 1.860 -3.799 1.00 0.00 C ATOM 101 C VAL A 6 -6.483 0.864 -4.744 1.00 0.00 C ATOM 102 O VAL A 6 -5.599 1.251 -5.516 1.00 0.00 O ATOM 103 CB VAL A 6 -7.228 3.291 -4.386 1.00 0.00 C ATOM 104 CG1 VAL A 6 -8.220 3.342 -5.554 1.00 0.00 C ATOM 105 CG2 VAL A 6 -7.642 4.355 -3.360 1.00 0.00 C ATOM 0 H VAL A 6 -5.485 1.939 -2.576 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.210 1.542 -3.673 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.214 3.519 -4.715 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.251 4.353 -5.961 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.903 2.647 -6.332 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.213 3.063 -5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.659 5.334 -3.838 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.635 4.122 -2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.927 4.365 -2.537 1.00 0.00 H new ATOM 115 N PRO A 7 -6.804 -0.439 -4.650 1.00 0.00 N ATOM 116 CA PRO A 7 -6.228 -1.456 -5.520 1.00 0.00 C ATOM 117 C PRO A 7 -6.886 -1.467 -6.909 1.00 0.00 C ATOM 118 O PRO A 7 -8.111 -1.488 -7.025 1.00 0.00 O ATOM 119 CB PRO A 7 -6.416 -2.779 -4.772 1.00 0.00 C ATOM 120 CG PRO A 7 -7.703 -2.550 -3.978 1.00 0.00 C ATOM 121 CD PRO A 7 -7.658 -1.058 -3.644 1.00 0.00 C ATOM 0 HA PRO A 7 -5.174 -1.263 -5.722 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.511 -3.620 -5.459 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.572 -2.995 -4.117 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.586 -2.803 -4.564 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.732 -3.162 -3.077 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.658 -0.625 -3.663 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.260 -0.896 -2.643 1.00 0.00 H new ATOM 129 N ALA A 8 -6.077 -1.530 -7.971 1.00 0.00 N ATOM 130 CA ALA A 8 -6.524 -1.659 -9.366 1.00 0.00 C ATOM 131 C ALA A 8 -6.994 -3.092 -9.736 1.00 0.00 C ATOM 132 O ALA A 8 -6.665 -3.611 -10.808 1.00 0.00 O ATOM 133 CB ALA A 8 -5.398 -1.138 -10.272 1.00 0.00 C ATOM 0 H ALA A 8 -5.061 -1.492 -7.884 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.419 -1.054 -9.513 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.702 -1.222 -11.315 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.195 -0.093 -10.036 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.497 -1.729 -10.108 1.00 0.00 H new ATOM 139 N VAL A 9 -7.723 -3.762 -8.833 1.00 0.00 N ATOM 140 CA VAL A 9 -8.097 -5.190 -8.904 1.00 0.00 C ATOM 141 C VAL A 9 -9.558 -5.393 -8.479 1.00 0.00 C ATOM 142 O VAL A 9 -10.068 -4.672 -7.617 1.00 0.00 O ATOM 143 CB VAL A 9 -7.140 -6.052 -8.045 1.00 0.00 C ATOM 144 CG1 VAL A 9 -7.452 -7.553 -8.131 1.00 0.00 C ATOM 145 CG2 VAL A 9 -5.679 -5.880 -8.482 1.00 0.00 C ATOM 0 H VAL A 9 -8.086 -3.308 -7.995 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.002 -5.516 -9.940 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.289 -5.700 -7.024 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.749 -8.107 -7.509 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.468 -7.734 -7.780 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.361 -7.885 -9.165 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.037 -6.500 -7.857 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.573 -6.183 -9.524 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.388 -4.835 -8.376 1.00 0.00 H new ATOM 155 N GLY A 10 -10.244 -6.375 -9.075 1.00 0.00 N ATOM 156 CA GLY A 10 -11.646 -6.691 -8.776 1.00 0.00 C ATOM 157 C GLY A 10 -12.588 -5.550 -9.174 1.00 0.00 C ATOM 158 O GLY A 10 -12.611 -5.133 -10.336 1.00 0.00 O ATOM 0 H GLY A 10 -9.836 -6.980 -9.788 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.934 -7.600 -9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.753 -6.895 -7.710 1.00 0.00 H new ATOM 162 N GLY A 11 -13.345 -5.019 -8.209 1.00 0.00 N ATOM 163 CA GLY A 11 -14.196 -3.835 -8.399 1.00 0.00 C ATOM 164 C GLY A 11 -13.425 -2.518 -8.604 1.00 0.00 C ATOM 165 O GLY A 11 -14.002 -1.543 -9.091 1.00 0.00 O ATOM 0 H GLY A 11 -13.386 -5.401 -7.264 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -14.840 -4.002 -9.262 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.847 -3.728 -7.531 1.00 0.00 H new ATOM 169 N GLY A 12 -12.133 -2.471 -8.252 1.00 0.00 N ATOM 170 CA GLY A 12 -11.269 -1.285 -8.383 1.00 0.00 C ATOM 171 C GLY A 12 -11.535 -0.159 -7.368 1.00 0.00 C ATOM 172 O GLY A 12 -10.929 0.912 -7.460 1.00 0.00 O ATOM 0 H GLY A 12 -11.645 -3.276 -7.858 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.230 -1.601 -8.286 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.386 -0.880 -9.388 1.00 0.00 H new ATOM 176 N SER A 13 -12.459 -0.369 -6.427 1.00 0.00 N ATOM 177 CA SER A 13 -12.952 0.646 -5.485 1.00 0.00 C ATOM 178 C SER A 13 -11.937 1.018 -4.388 1.00 0.00 C ATOM 179 O SER A 13 -11.144 0.164 -3.976 1.00 0.00 O ATOM 180 CB SER A 13 -14.227 0.141 -4.796 1.00 0.00 C ATOM 181 OG SER A 13 -15.206 -0.228 -5.758 1.00 0.00 O ATOM 0 H SER A 13 -12.901 -1.279 -6.293 1.00 0.00 H new ATOM 0 HA SER A 13 -13.140 1.538 -6.082 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.990 -0.715 -4.164 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.626 0.918 -4.144 1.00 0.00 H new ATOM 0 HG SER A 13 -16.011 -0.549 -5.300 1.00 0.00 H new ATOM 187 N PRO A 14 -11.988 2.251 -3.842 1.00 0.00 N ATOM 188 CA PRO A 14 -11.304 2.592 -2.595 1.00 0.00 C ATOM 189 C PRO A 14 -11.882 1.818 -1.395 1.00 0.00 C ATOM 190 O PRO A 14 -13.069 1.478 -1.373 1.00 0.00 O ATOM 191 CB PRO A 14 -11.510 4.100 -2.424 1.00 0.00 C ATOM 192 CG PRO A 14 -12.847 4.356 -3.117 1.00 0.00 C ATOM 193 CD PRO A 14 -12.811 3.373 -4.285 1.00 0.00 C ATOM 0 HA PRO A 14 -10.248 2.323 -2.636 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.542 4.384 -1.372 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.703 4.670 -2.884 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.690 4.166 -2.453 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.936 5.387 -3.458 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.816 3.041 -4.546 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.388 3.840 -5.175 1.00 0.00 H new ATOM 201 N LEU A 15 -11.059 1.587 -0.366 1.00 0.00 N ATOM 202 CA LEU A 15 -11.449 0.929 0.887 1.00 0.00 C ATOM 203 C LEU A 15 -10.744 1.565 2.095 1.00 0.00 C ATOM 204 O LEU A 15 -9.515 1.639 2.142 1.00 0.00 O ATOM 205 CB LEU A 15 -11.148 -0.580 0.770 1.00 0.00 C ATOM 206 CG LEU A 15 -11.616 -1.420 1.974 1.00 0.00 C ATOM 207 CD1 LEU A 15 -13.144 -1.503 2.049 1.00 0.00 C ATOM 208 CD2 LEU A 15 -11.068 -2.843 1.860 1.00 0.00 C ATOM 0 H LEU A 15 -10.076 1.860 -0.382 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.518 1.063 1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.625 -0.964 -0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.074 -0.715 0.645 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.242 -0.930 2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -13.434 -2.104 2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.558 -0.500 2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -13.528 -1.965 1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.403 -3.431 2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.432 -3.300 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.979 -2.813 1.844 1.00 0.00 H new ATOM 220 N GLU A 16 -11.522 2.014 3.082 1.00 0.00 N ATOM 221 CA GLU A 16 -11.010 2.563 4.346 1.00 0.00 C ATOM 222 C GLU A 16 -10.664 1.454 5.355 1.00 0.00 C ATOM 223 O GLU A 16 -11.449 0.523 5.563 1.00 0.00 O ATOM 224 CB GLU A 16 -12.023 3.543 4.961 1.00 0.00 C ATOM 225 CG GLU A 16 -12.228 4.792 4.087 1.00 0.00 C ATOM 226 CD GLU A 16 -13.153 5.847 4.729 1.00 0.00 C ATOM 227 OE1 GLU A 16 -14.040 5.500 5.547 1.00 0.00 O ATOM 228 OE2 GLU A 16 -13.009 7.047 4.390 1.00 0.00 O ATOM 0 H GLU A 16 -12.541 2.008 3.028 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.090 3.100 4.116 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.979 3.037 5.098 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.678 3.846 5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.258 5.246 3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.646 4.489 3.127 1.00 0.00 H new ATOM 235 N LEU A 17 -9.503 1.574 6.006 1.00 0.00 N ATOM 236 CA LEU A 17 -8.962 0.631 6.992 1.00 0.00 C ATOM 237 C LEU A 17 -8.242 1.380 8.124 1.00 0.00 C ATOM 238 O LEU A 17 -7.526 2.350 7.876 1.00 0.00 O ATOM 239 CB LEU A 17 -7.972 -0.332 6.300 1.00 0.00 C ATOM 240 CG LEU A 17 -8.597 -1.342 5.317 1.00 0.00 C ATOM 241 CD1 LEU A 17 -7.503 -2.007 4.482 1.00 0.00 C ATOM 242 CD2 LEU A 17 -9.372 -2.443 6.048 1.00 0.00 C ATOM 0 H LEU A 17 -8.884 2.370 5.853 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.790 0.065 7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.233 0.261 5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.435 -0.887 7.070 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.285 -0.784 4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.955 -2.719 3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.963 -1.247 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.810 -2.531 5.141 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.797 -3.134 5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.697 -2.984 6.711 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.175 -1.995 6.634 1.00 0.00 H new ATOM 254 N GLU A 18 -8.382 0.918 9.364 1.00 0.00 N ATOM 255 CA GLU A 18 -7.537 1.337 10.487 1.00 0.00 C ATOM 256 C GLU A 18 -6.149 0.666 10.442 1.00 0.00 C ATOM 257 O GLU A 18 -6.020 -0.503 10.060 1.00 0.00 O ATOM 258 CB GLU A 18 -8.249 1.094 11.833 1.00 0.00 C ATOM 259 CG GLU A 18 -8.570 -0.362 12.228 1.00 0.00 C ATOM 260 CD GLU A 18 -9.945 -0.847 11.723 1.00 0.00 C ATOM 261 OE1 GLU A 18 -10.154 -0.948 10.490 1.00 0.00 O ATOM 262 OE2 GLU A 18 -10.824 -1.157 12.564 1.00 0.00 O ATOM 0 H GLU A 18 -9.093 0.234 9.624 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.368 2.410 10.392 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.631 1.526 12.621 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.186 1.651 11.821 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.794 -1.017 11.832 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.538 -0.451 13.314 1.00 0.00 H new ATOM 269 N VAL A 19 -5.104 1.392 10.859 1.00 0.00 N ATOM 270 CA VAL A 19 -3.714 0.896 10.953 1.00 0.00 C ATOM 271 C VAL A 19 -3.002 1.455 12.189 1.00 0.00 C ATOM 272 O VAL A 19 -3.329 2.539 12.676 1.00 0.00 O ATOM 273 CB VAL A 19 -2.884 1.205 9.683 1.00 0.00 C ATOM 274 CG1 VAL A 19 -3.411 0.475 8.442 1.00 0.00 C ATOM 275 CG2 VAL A 19 -2.796 2.702 9.370 1.00 0.00 C ATOM 0 H VAL A 19 -5.198 2.365 11.149 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.787 -0.188 11.046 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.885 0.839 9.918 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.792 0.728 7.581 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.376 -0.601 8.611 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.440 0.779 8.251 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.201 2.851 8.469 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.798 3.100 9.213 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.326 3.221 10.205 1.00 0.00 H new ATOM 285 N ALA A 20 -2.004 0.727 12.693 1.00 0.00 N ATOM 286 CA ALA A 20 -1.096 1.220 13.730 1.00 0.00 C ATOM 287 C ALA A 20 -0.088 2.253 13.165 1.00 0.00 C ATOM 288 O ALA A 20 0.319 2.131 12.005 1.00 0.00 O ATOM 289 CB ALA A 20 -0.377 0.013 14.349 1.00 0.00 C ATOM 0 H ALA A 20 -1.802 -0.226 12.392 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.667 1.743 14.497 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.306 0.356 15.126 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.112 -0.664 14.785 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.186 -0.511 13.576 1.00 0.00 H new ATOM 295 N PRO A 21 0.397 3.222 13.970 1.00 0.00 N ATOM 296 CA PRO A 21 1.463 4.145 13.552 1.00 0.00 C ATOM 297 C PRO A 21 2.809 3.434 13.304 1.00 0.00 C ATOM 298 O PRO A 21 3.662 3.947 12.577 1.00 0.00 O ATOM 299 CB PRO A 21 1.571 5.166 14.691 1.00 0.00 C ATOM 300 CG PRO A 21 1.114 4.382 15.922 1.00 0.00 C ATOM 301 CD PRO A 21 0.019 3.480 15.355 1.00 0.00 C ATOM 0 HA PRO A 21 1.222 4.611 12.597 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.591 5.533 14.805 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.938 6.035 14.512 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.928 3.805 16.360 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.733 5.040 16.703 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.054 2.551 15.920 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.956 3.965 15.411 1.00 0.00 H new ATOM 309 N ASN A 22 2.992 2.238 13.877 1.00 0.00 N ATOM 310 CA ASN A 22 4.188 1.399 13.758 1.00 0.00 C ATOM 311 C ASN A 22 4.261 0.580 12.444 1.00 0.00 C ATOM 312 O ASN A 22 5.126 -0.289 12.323 1.00 0.00 O ATOM 313 CB ASN A 22 4.260 0.492 15.008 1.00 0.00 C ATOM 314 CG ASN A 22 5.682 0.346 15.527 1.00 0.00 C ATOM 315 OD1 ASN A 22 6.279 1.287 16.034 1.00 0.00 O ATOM 316 ND2 ASN A 22 6.274 -0.825 15.446 1.00 0.00 N ATOM 0 H ASN A 22 2.276 1.810 14.464 1.00 0.00 H new ATOM 0 HA ASN A 22 5.059 2.053 13.707 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.629 0.907 15.794 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.860 -0.492 14.765 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.222 -0.943 15.804 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.785 -1.615 15.025 1.00 0.00 H new ATOM 323 N ALA A 23 3.353 0.802 11.482 1.00 0.00 N ATOM 324 CA ALA A 23 3.240 0.022 10.244 1.00 0.00 C ATOM 325 C ALA A 23 4.537 0.033 9.404 1.00 0.00 C ATOM 326 O ALA A 23 4.984 1.083 8.933 1.00 0.00 O ATOM 327 CB ALA A 23 2.044 0.550 9.441 1.00 0.00 C ATOM 0 H ALA A 23 2.660 1.548 11.547 1.00 0.00 H new ATOM 0 HA ALA A 23 3.078 -1.023 10.508 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.946 -0.020 8.517 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.134 0.443 10.031 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.201 1.602 9.204 1.00 0.00 H new ATOM 333 N THR A 24 5.133 -1.149 9.215 1.00 0.00 N ATOM 334 CA THR A 24 6.412 -1.357 8.511 1.00 0.00 C ATOM 335 C THR A 24 6.199 -1.627 7.018 1.00 0.00 C ATOM 336 O THR A 24 5.290 -2.372 6.643 1.00 0.00 O ATOM 337 CB THR A 24 7.194 -2.525 9.148 1.00 0.00 C ATOM 338 OG1 THR A 24 7.245 -2.401 10.556 1.00 0.00 O ATOM 339 CG2 THR A 24 8.640 -2.629 8.663 1.00 0.00 C ATOM 0 H THR A 24 4.728 -2.020 9.558 1.00 0.00 H new ATOM 0 HA THR A 24 6.991 -0.439 8.609 1.00 0.00 H new ATOM 0 HB THR A 24 6.648 -3.418 8.843 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.745 -3.155 10.933 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.128 -3.472 9.153 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.652 -2.780 7.584 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.173 -1.710 8.907 1.00 0.00 H new ATOM 347 N VAL A 25 7.067 -1.087 6.150 1.00 0.00 N ATOM 348 CA VAL A 25 6.963 -1.255 4.683 1.00 0.00 C ATOM 349 C VAL A 25 6.998 -2.729 4.271 1.00 0.00 C ATOM 350 O VAL A 25 6.170 -3.155 3.469 1.00 0.00 O ATOM 351 CB VAL A 25 8.068 -0.479 3.932 1.00 0.00 C ATOM 352 CG1 VAL A 25 7.906 -0.586 2.409 1.00 0.00 C ATOM 353 CG2 VAL A 25 8.058 1.009 4.290 1.00 0.00 C ATOM 0 H VAL A 25 7.864 -0.520 6.440 1.00 0.00 H new ATOM 0 HA VAL A 25 5.996 -0.840 4.401 1.00 0.00 H new ATOM 0 HB VAL A 25 9.009 -0.934 4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.703 -0.027 1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.960 -1.633 2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.940 -0.174 2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.849 1.520 3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.094 1.441 4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.224 1.127 5.361 1.00 0.00 H new ATOM 363 N GLY A 26 7.902 -3.528 4.848 1.00 0.00 N ATOM 364 CA GLY A 26 8.028 -4.961 4.547 1.00 0.00 C ATOM 365 C GLY A 26 6.770 -5.772 4.876 1.00 0.00 C ATOM 366 O GLY A 26 6.389 -6.652 4.103 1.00 0.00 O ATOM 0 H GLY A 26 8.572 -3.198 5.542 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.261 -5.082 3.489 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.869 -5.368 5.108 1.00 0.00 H new ATOM 370 N ALA A 27 6.069 -5.436 5.964 1.00 0.00 N ATOM 371 CA ALA A 27 4.792 -6.059 6.324 1.00 0.00 C ATOM 372 C ALA A 27 3.683 -5.716 5.312 1.00 0.00 C ATOM 373 O ALA A 27 2.960 -6.607 4.862 1.00 0.00 O ATOM 374 CB ALA A 27 4.420 -5.628 7.750 1.00 0.00 C ATOM 0 H ALA A 27 6.374 -4.720 6.623 1.00 0.00 H new ATOM 0 HA ALA A 27 4.898 -7.143 6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.471 -6.084 8.032 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.198 -5.951 8.442 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.327 -4.543 7.789 1.00 0.00 H new ATOM 380 N VAL A 28 3.591 -4.448 4.889 1.00 0.00 N ATOM 381 CA VAL A 28 2.645 -3.994 3.850 1.00 0.00 C ATOM 382 C VAL A 28 2.947 -4.652 2.497 1.00 0.00 C ATOM 383 O VAL A 28 2.038 -5.169 1.846 1.00 0.00 O ATOM 384 CB VAL A 28 2.647 -2.452 3.745 1.00 0.00 C ATOM 385 CG1 VAL A 28 1.777 -1.937 2.591 1.00 0.00 C ATOM 386 CG2 VAL A 28 2.120 -1.814 5.038 1.00 0.00 C ATOM 0 H VAL A 28 4.175 -3.698 5.259 1.00 0.00 H new ATOM 0 HA VAL A 28 1.643 -4.306 4.144 1.00 0.00 H new ATOM 0 HB VAL A 28 3.685 -2.171 3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.815 -0.848 2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.150 -2.336 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.747 -2.260 2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.131 -0.729 4.939 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.100 -2.151 5.220 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.754 -2.109 5.874 1.00 0.00 H new ATOM 396 N ARG A 29 4.222 -4.712 2.092 1.00 0.00 N ATOM 397 CA ARG A 29 4.667 -5.353 0.840 1.00 0.00 C ATOM 398 C ARG A 29 4.395 -6.861 0.840 1.00 0.00 C ATOM 399 O ARG A 29 3.960 -7.404 -0.175 1.00 0.00 O ATOM 400 CB ARG A 29 6.164 -5.050 0.621 1.00 0.00 C ATOM 401 CG ARG A 29 6.568 -4.936 -0.858 1.00 0.00 C ATOM 402 CD ARG A 29 6.069 -3.623 -1.483 1.00 0.00 C ATOM 403 NE ARG A 29 6.707 -3.365 -2.791 1.00 0.00 N ATOM 404 CZ ARG A 29 6.850 -2.192 -3.387 1.00 0.00 C ATOM 405 NH1 ARG A 29 6.400 -1.086 -2.864 1.00 0.00 N ATOM 406 NH2 ARG A 29 7.462 -2.103 -4.532 1.00 0.00 N ATOM 0 H ARG A 29 4.989 -4.311 2.632 1.00 0.00 H new ATOM 0 HA ARG A 29 4.092 -4.939 0.012 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.414 -4.118 1.128 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.756 -5.836 1.089 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.653 -4.991 -0.944 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.161 -5.781 -1.413 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.987 -3.667 -1.608 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.278 -2.795 -0.806 1.00 0.00 H new ATOM 0 HE ARG A 29 7.076 -4.177 -3.287 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.918 -1.106 -1.965 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.529 -0.201 -3.354 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.836 -2.941 -4.977 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.568 -1.195 -4.984 1.00 0.00 H new ATOM 420 N THR A 30 4.571 -7.524 1.986 1.00 0.00 N ATOM 421 CA THR A 30 4.233 -8.947 2.181 1.00 0.00 C ATOM 422 C THR A 30 2.723 -9.180 2.093 1.00 0.00 C ATOM 423 O THR A 30 2.296 -10.086 1.376 1.00 0.00 O ATOM 424 CB THR A 30 4.788 -9.486 3.513 1.00 0.00 C ATOM 425 OG1 THR A 30 6.196 -9.388 3.525 1.00 0.00 O ATOM 426 CG2 THR A 30 4.464 -10.964 3.744 1.00 0.00 C ATOM 0 H THR A 30 4.958 -7.085 2.821 1.00 0.00 H new ATOM 0 HA THR A 30 4.709 -9.501 1.372 1.00 0.00 H new ATOM 0 HB THR A 30 4.319 -8.884 4.291 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.458 -8.463 3.717 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.882 -11.283 4.699 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.383 -11.102 3.757 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.896 -11.561 2.941 1.00 0.00 H new ATOM 434 N LYS A 31 1.899 -8.338 2.737 1.00 0.00 N ATOM 435 CA LYS A 31 0.428 -8.376 2.625 1.00 0.00 C ATOM 436 C LYS A 31 -0.045 -8.207 1.179 1.00 0.00 C ATOM 437 O LYS A 31 -0.876 -8.990 0.725 1.00 0.00 O ATOM 438 CB LYS A 31 -0.200 -7.297 3.533 1.00 0.00 C ATOM 439 CG LYS A 31 -0.455 -7.782 4.972 1.00 0.00 C ATOM 440 CD LYS A 31 -1.641 -8.755 5.119 1.00 0.00 C ATOM 441 CE LYS A 31 -2.981 -8.104 4.740 1.00 0.00 C ATOM 442 NZ LYS A 31 -4.127 -9.026 4.958 1.00 0.00 N ATOM 0 H LYS A 31 2.237 -7.603 3.358 1.00 0.00 H new ATOM 0 HA LYS A 31 0.097 -9.360 2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.458 -6.429 3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.143 -6.968 3.096 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.447 -8.270 5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.632 -6.915 5.608 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.472 -9.628 4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.691 -9.111 6.148 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.125 -7.200 5.331 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.954 -7.800 3.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.012 -8.549 4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.003 -9.878 4.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.169 -9.296 5.961 1.00 0.00 H new ATOM 456 N VAL A 32 0.522 -7.251 0.439 1.00 0.00 N ATOM 457 CA VAL A 32 0.261 -7.055 -0.999 1.00 0.00 C ATOM 458 C VAL A 32 0.637 -8.303 -1.803 1.00 0.00 C ATOM 459 O VAL A 32 -0.205 -8.842 -2.519 1.00 0.00 O ATOM 460 CB VAL A 32 0.992 -5.796 -1.516 1.00 0.00 C ATOM 461 CG1 VAL A 32 1.086 -5.719 -3.046 1.00 0.00 C ATOM 462 CG2 VAL A 32 0.265 -4.536 -1.029 1.00 0.00 C ATOM 0 H VAL A 32 1.186 -6.579 0.823 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.809 -6.896 -1.137 1.00 0.00 H new ATOM 0 HB VAL A 32 2.006 -5.861 -1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.612 -4.808 -3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.630 -6.586 -3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.083 -5.708 -3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.785 -3.651 -1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.758 -4.538 -1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.251 -4.522 0.061 1.00 0.00 H new ATOM 472 N CYS A 33 1.865 -8.807 -1.657 1.00 0.00 N ATOM 473 CA CYS A 33 2.353 -9.970 -2.404 1.00 0.00 C ATOM 474 C CYS A 33 1.526 -11.241 -2.125 1.00 0.00 C ATOM 475 O CYS A 33 1.164 -11.958 -3.058 1.00 0.00 O ATOM 476 CB CYS A 33 3.844 -10.149 -2.086 1.00 0.00 C ATOM 477 SG CYS A 33 4.547 -11.521 -3.049 1.00 0.00 S ATOM 0 H CYS A 33 2.553 -8.417 -1.013 1.00 0.00 H new ATOM 0 HA CYS A 33 2.232 -9.794 -3.473 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.382 -9.228 -2.310 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.973 -10.342 -1.021 1.00 0.00 H new ATOM 0 HG CYS A 33 4.118 -11.455 -4.275 1.00 0.00 H new ATOM 483 N ALA A 34 1.148 -11.488 -0.865 1.00 0.00 N ATOM 484 CA ALA A 34 0.297 -12.610 -0.470 1.00 0.00 C ATOM 485 C ALA A 34 -1.148 -12.478 -0.995 1.00 0.00 C ATOM 486 O ALA A 34 -1.689 -13.432 -1.557 1.00 0.00 O ATOM 487 CB ALA A 34 0.328 -12.717 1.059 1.00 0.00 C ATOM 0 H ALA A 34 1.431 -10.902 -0.080 1.00 0.00 H new ATOM 0 HA ALA A 34 0.687 -13.523 -0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.301 -13.548 1.378 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.352 -12.888 1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.045 -11.791 1.496 1.00 0.00 H new ATOM 493 N MET A 35 -1.766 -11.297 -0.863 1.00 0.00 N ATOM 494 CA MET A 35 -3.154 -11.047 -1.283 1.00 0.00 C ATOM 495 C MET A 35 -3.324 -10.959 -2.811 1.00 0.00 C ATOM 496 O MET A 35 -4.422 -11.171 -3.329 1.00 0.00 O ATOM 497 CB MET A 35 -3.664 -9.786 -0.565 1.00 0.00 C ATOM 498 CG MET A 35 -5.163 -9.534 -0.772 1.00 0.00 C ATOM 499 SD MET A 35 -5.906 -8.368 0.407 1.00 0.00 S ATOM 500 CE MET A 35 -5.067 -6.825 -0.052 1.00 0.00 C ATOM 0 H MET A 35 -1.313 -10.478 -0.457 1.00 0.00 H new ATOM 0 HA MET A 35 -3.762 -11.904 -0.992 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.462 -9.877 0.502 1.00 0.00 H new ATOM 0 HB3 MET A 35 -3.105 -8.922 -0.922 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.318 -9.156 -1.783 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.691 -10.485 -0.703 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.420 -6.015 0.586 1.00 0.00 H new ATOM 0 HE2 MET A 35 -3.991 -6.944 0.075 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.285 -6.588 -1.093 1.00 0.00 H new ATOM 510 N LYS A 36 -2.257 -10.652 -3.559 1.00 0.00 N ATOM 511 CA LYS A 36 -2.209 -10.721 -5.036 1.00 0.00 C ATOM 512 C LYS A 36 -1.676 -12.059 -5.575 1.00 0.00 C ATOM 513 O LYS A 36 -1.859 -12.345 -6.757 1.00 0.00 O ATOM 514 CB LYS A 36 -1.373 -9.541 -5.562 1.00 0.00 C ATOM 515 CG LYS A 36 -1.965 -8.160 -5.222 1.00 0.00 C ATOM 516 CD LYS A 36 -3.252 -7.793 -5.987 1.00 0.00 C ATOM 517 CE LYS A 36 -4.510 -7.666 -5.106 1.00 0.00 C ATOM 518 NZ LYS A 36 -5.276 -8.937 -4.973 1.00 0.00 N ATOM 0 H LYS A 36 -1.377 -10.340 -3.149 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.234 -10.653 -5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.367 -9.607 -5.147 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.278 -9.629 -6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.174 -8.125 -4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.211 -7.399 -5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.092 -6.849 -6.507 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.434 -8.550 -6.750 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.216 -7.324 -4.114 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.162 -6.901 -5.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.274 -8.722 -4.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.209 -9.477 -5.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.881 -9.501 -4.193 1.00 0.00 H new ATOM 532 N LYS A 37 -1.033 -12.869 -4.724 1.00 0.00 N ATOM 533 CA LYS A 37 -0.358 -14.151 -5.023 1.00 0.00 C ATOM 534 C LYS A 37 0.725 -14.067 -6.121 1.00 0.00 C ATOM 535 O LYS A 37 1.015 -15.058 -6.795 1.00 0.00 O ATOM 536 CB LYS A 37 -1.401 -15.263 -5.267 1.00 0.00 C ATOM 537 CG LYS A 37 -0.888 -16.643 -4.809 1.00 0.00 C ATOM 538 CD LYS A 37 -1.566 -17.812 -5.537 1.00 0.00 C ATOM 539 CE LYS A 37 -1.058 -17.924 -6.982 1.00 0.00 C ATOM 540 NZ LYS A 37 -1.625 -19.110 -7.674 1.00 0.00 N ATOM 0 H LYS A 37 -0.962 -12.633 -3.734 1.00 0.00 H new ATOM 0 HA LYS A 37 0.215 -14.418 -4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.320 -15.022 -4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.649 -15.302 -6.328 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.188 -16.696 -4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.052 -16.747 -3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.368 -18.742 -5.004 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.647 -17.669 -5.537 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.323 -17.021 -7.532 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.030 -17.989 -6.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.259 -19.152 -8.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.351 -19.974 -7.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.662 -19.036 -7.697 1.00 0.00 H new ATOM 554 N LEU A 38 1.308 -12.883 -6.326 1.00 0.00 N ATOM 555 CA LEU A 38 2.254 -12.564 -7.406 1.00 0.00 C ATOM 556 C LEU A 38 3.368 -11.603 -6.924 1.00 0.00 C ATOM 557 O LEU A 38 3.154 -10.846 -5.969 1.00 0.00 O ATOM 558 CB LEU A 38 1.492 -11.971 -8.616 1.00 0.00 C ATOM 559 CG LEU A 38 1.024 -13.005 -9.666 1.00 0.00 C ATOM 560 CD1 LEU A 38 -0.442 -13.411 -9.501 1.00 0.00 C ATOM 561 CD2 LEU A 38 1.167 -12.432 -11.079 1.00 0.00 C ATOM 0 H LEU A 38 1.128 -12.084 -5.719 1.00 0.00 H new ATOM 0 HA LEU A 38 2.742 -13.488 -7.716 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.620 -11.430 -8.247 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.135 -11.241 -9.108 1.00 0.00 H new ATOM 0 HG LEU A 38 1.656 -13.880 -9.513 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.707 -14.138 -10.269 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.588 -13.854 -8.516 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.077 -12.531 -9.601 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.834 -13.172 -11.807 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.558 -11.533 -11.170 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.212 -12.183 -11.267 1.00 0.00 H new ATOM 573 N PRO A 39 4.558 -11.623 -7.559 1.00 0.00 N ATOM 574 CA PRO A 39 5.718 -10.829 -7.146 1.00 0.00 C ATOM 575 C PRO A 39 5.551 -9.319 -7.419 1.00 0.00 C ATOM 576 O PRO A 39 4.815 -8.929 -8.335 1.00 0.00 O ATOM 577 CB PRO A 39 6.904 -11.415 -7.923 1.00 0.00 C ATOM 578 CG PRO A 39 6.259 -11.935 -9.204 1.00 0.00 C ATOM 579 CD PRO A 39 4.909 -12.450 -8.710 1.00 0.00 C ATOM 0 HA PRO A 39 5.860 -10.890 -6.067 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.661 -10.659 -8.132 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.395 -12.213 -7.367 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.145 -11.148 -9.949 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.851 -12.726 -9.664 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.153 -12.372 -9.491 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.972 -13.502 -8.430 1.00 0.00 H new ATOM 587 N PRO A 40 6.282 -8.450 -6.688 1.00 0.00 N ATOM 588 CA PRO A 40 6.183 -6.991 -6.814 1.00 0.00 C ATOM 589 C PRO A 40 6.629 -6.436 -8.181 1.00 0.00 C ATOM 590 O PRO A 40 6.307 -5.297 -8.518 1.00 0.00 O ATOM 591 CB PRO A 40 7.030 -6.427 -5.668 1.00 0.00 C ATOM 592 CG PRO A 40 8.061 -7.523 -5.411 1.00 0.00 C ATOM 593 CD PRO A 40 7.252 -8.794 -5.655 1.00 0.00 C ATOM 0 HA PRO A 40 5.138 -6.686 -6.753 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.506 -5.486 -5.946 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.426 -6.229 -4.783 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.913 -7.447 -6.087 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.455 -7.480 -4.396 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.896 -9.612 -5.979 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.753 -9.122 -4.743 1.00 0.00 H new ATOM 601 N ASP A 41 7.323 -7.234 -8.999 1.00 0.00 N ATOM 602 CA ASP A 41 7.633 -6.902 -10.399 1.00 0.00 C ATOM 603 C ASP A 41 6.376 -6.790 -11.287 1.00 0.00 C ATOM 604 O ASP A 41 6.399 -6.086 -12.300 1.00 0.00 O ATOM 605 CB ASP A 41 8.585 -7.960 -10.984 1.00 0.00 C ATOM 606 CG ASP A 41 9.963 -8.048 -10.302 1.00 0.00 C ATOM 607 OD1 ASP A 41 10.413 -7.076 -9.649 1.00 0.00 O ATOM 608 OD2 ASP A 41 10.628 -9.103 -10.449 1.00 0.00 O ATOM 0 H ASP A 41 7.691 -8.140 -8.707 1.00 0.00 H new ATOM 0 HA ASP A 41 8.108 -5.921 -10.394 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.102 -8.935 -10.920 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.734 -7.747 -12.043 1.00 0.00 H new ATOM 613 N THR A 42 5.275 -7.460 -10.915 1.00 0.00 N ATOM 614 CA THR A 42 3.980 -7.402 -11.628 1.00 0.00 C ATOM 615 C THR A 42 2.980 -6.428 -10.997 1.00 0.00 C ATOM 616 O THR A 42 2.129 -5.896 -11.712 1.00 0.00 O ATOM 617 CB THR A 42 3.320 -8.786 -11.733 1.00 0.00 C ATOM 618 OG1 THR A 42 2.904 -9.256 -10.469 1.00 0.00 O ATOM 619 CG2 THR A 42 4.230 -9.834 -12.375 1.00 0.00 C ATOM 0 H THR A 42 5.254 -8.069 -10.097 1.00 0.00 H new ATOM 0 HA THR A 42 4.230 -7.035 -12.624 1.00 0.00 H new ATOM 0 HB THR A 42 2.453 -8.646 -12.379 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.622 -9.118 -9.816 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.708 -10.790 -12.421 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.496 -9.517 -13.383 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.136 -9.944 -11.779 1.00 0.00 H new ATOM 627 N THR A 43 3.076 -6.165 -9.688 1.00 0.00 N ATOM 628 CA THR A 43 2.146 -5.293 -8.945 1.00 0.00 C ATOM 629 C THR A 43 2.887 -4.396 -7.951 1.00 0.00 C ATOM 630 O THR A 43 3.503 -4.887 -7.001 1.00 0.00 O ATOM 631 CB THR A 43 1.059 -6.110 -8.226 1.00 0.00 C ATOM 632 OG1 THR A 43 0.326 -6.883 -9.153 1.00 0.00 O ATOM 633 CG2 THR A 43 0.036 -5.222 -7.516 1.00 0.00 C ATOM 0 H THR A 43 3.813 -6.557 -9.102 1.00 0.00 H new ATOM 0 HA THR A 43 1.658 -4.652 -9.679 1.00 0.00 H new ATOM 0 HB THR A 43 1.587 -6.730 -7.502 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.360 -7.398 -8.679 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.709 -5.847 -7.024 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.542 -4.607 -6.772 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.455 -4.578 -8.245 1.00 0.00 H new ATOM 641 N ARG A 44 2.811 -3.076 -8.155 1.00 0.00 N ATOM 642 CA ARG A 44 3.511 -2.039 -7.374 1.00 0.00 C ATOM 643 C ARG A 44 2.566 -1.213 -6.493 1.00 0.00 C ATOM 644 O ARG A 44 1.356 -1.189 -6.719 1.00 0.00 O ATOM 645 CB ARG A 44 4.369 -1.167 -8.314 1.00 0.00 C ATOM 646 CG ARG A 44 3.550 -0.351 -9.334 1.00 0.00 C ATOM 647 CD ARG A 44 4.444 0.498 -10.248 1.00 0.00 C ATOM 648 NE ARG A 44 5.105 1.602 -9.521 1.00 0.00 N ATOM 649 CZ ARG A 44 6.089 2.364 -9.967 1.00 0.00 C ATOM 650 NH1 ARG A 44 6.607 2.208 -11.154 1.00 0.00 N ATOM 651 NH2 ARG A 44 6.580 3.309 -9.219 1.00 0.00 N ATOM 0 H ARG A 44 2.237 -2.680 -8.899 1.00 0.00 H new ATOM 0 HA ARG A 44 4.177 -2.538 -6.671 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.967 -0.482 -7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.066 -1.809 -8.853 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.951 -1.029 -9.942 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.855 0.299 -8.803 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.202 -0.139 -10.704 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.843 0.909 -11.059 1.00 0.00 H new ATOM 0 HE ARG A 44 4.767 1.796 -8.578 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.253 1.478 -11.773 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.366 2.816 -11.463 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.206 3.465 -8.283 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.339 3.894 -9.569 1.00 0.00 H new ATOM 665 N LEU A 45 3.141 -0.516 -5.514 1.00 0.00 N ATOM 666 CA LEU A 45 2.448 0.326 -4.531 1.00 0.00 C ATOM 667 C LEU A 45 3.083 1.723 -4.446 1.00 0.00 C ATOM 668 O LEU A 45 4.311 1.848 -4.437 1.00 0.00 O ATOM 669 CB LEU A 45 2.488 -0.402 -3.168 1.00 0.00 C ATOM 670 CG LEU A 45 1.914 0.382 -1.969 1.00 0.00 C ATOM 671 CD1 LEU A 45 0.414 0.643 -2.102 1.00 0.00 C ATOM 672 CD2 LEU A 45 2.140 -0.391 -0.672 1.00 0.00 C ATOM 0 H LEU A 45 4.152 -0.521 -5.375 1.00 0.00 H new ATOM 0 HA LEU A 45 1.413 0.480 -4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.938 -1.339 -3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.523 -0.661 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 45 2.437 1.338 -1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.063 1.197 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.225 1.225 -3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.116 -0.307 -2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.730 0.174 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.643 -1.359 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.209 -0.541 -0.519 1.00 0.00 H new ATOM 684 N THR A 46 2.252 2.760 -4.313 1.00 0.00 N ATOM 685 CA THR A 46 2.679 4.147 -4.042 1.00 0.00 C ATOM 686 C THR A 46 1.812 4.832 -2.976 1.00 0.00 C ATOM 687 O THR A 46 0.664 4.446 -2.732 1.00 0.00 O ATOM 688 CB THR A 46 2.718 5.007 -5.321 1.00 0.00 C ATOM 689 OG1 THR A 46 1.447 5.080 -5.934 1.00 0.00 O ATOM 690 CG2 THR A 46 3.729 4.515 -6.361 1.00 0.00 C ATOM 0 H THR A 46 1.240 2.663 -4.391 1.00 0.00 H new ATOM 0 HA THR A 46 3.694 4.068 -3.652 1.00 0.00 H new ATOM 0 HB THR A 46 3.034 5.994 -4.983 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.504 5.633 -6.741 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.701 5.168 -7.233 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.730 4.528 -5.930 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.477 3.498 -6.661 1.00 0.00 H new ATOM 698 N TYR A 47 2.377 5.866 -2.348 1.00 0.00 N ATOM 699 CA TYR A 47 1.762 6.715 -1.321 1.00 0.00 C ATOM 700 C TYR A 47 2.155 8.185 -1.556 1.00 0.00 C ATOM 701 O TYR A 47 3.329 8.486 -1.775 1.00 0.00 O ATOM 702 CB TYR A 47 2.184 6.223 0.078 1.00 0.00 C ATOM 703 CG TYR A 47 2.054 7.283 1.160 1.00 0.00 C ATOM 704 CD1 TYR A 47 0.778 7.690 1.586 1.00 0.00 C ATOM 705 CD2 TYR A 47 3.196 7.941 1.657 1.00 0.00 C ATOM 706 CE1 TYR A 47 0.638 8.766 2.485 1.00 0.00 C ATOM 707 CE2 TYR A 47 3.061 8.989 2.589 1.00 0.00 C ATOM 708 CZ TYR A 47 1.782 9.412 3.006 1.00 0.00 C ATOM 709 OH TYR A 47 1.681 10.464 3.869 1.00 0.00 O ATOM 0 H TYR A 47 3.334 6.151 -2.554 1.00 0.00 H new ATOM 0 HA TYR A 47 0.676 6.650 -1.384 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.575 5.361 0.350 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.218 5.882 0.037 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.099 7.176 1.223 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.178 7.641 1.323 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.347 9.098 2.777 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.942 9.471 2.986 1.00 0.00 H new ATOM 0 HH TYR A 47 0.764 10.521 4.210 1.00 0.00 H new ATOM 719 N LYS A 48 1.176 9.104 -1.547 1.00 0.00 N ATOM 720 CA LYS A 48 1.356 10.559 -1.770 1.00 0.00 C ATOM 721 C LYS A 48 2.223 10.916 -2.997 1.00 0.00 C ATOM 722 O LYS A 48 3.035 11.842 -2.948 1.00 0.00 O ATOM 723 CB LYS A 48 1.842 11.238 -0.469 1.00 0.00 C ATOM 724 CG LYS A 48 1.348 12.696 -0.377 1.00 0.00 C ATOM 725 CD LYS A 48 2.286 13.648 0.386 1.00 0.00 C ATOM 726 CE LYS A 48 3.253 14.414 -0.534 1.00 0.00 C ATOM 727 NZ LYS A 48 4.327 13.555 -1.097 1.00 0.00 N ATOM 0 H LYS A 48 0.202 8.852 -1.379 1.00 0.00 H new ATOM 0 HA LYS A 48 0.376 10.962 -2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.483 10.676 0.393 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.931 11.218 -0.431 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.205 13.081 -1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.372 12.704 0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.687 14.364 0.949 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.863 13.075 1.112 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.689 14.862 -1.352 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.706 15.232 0.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.038 14.151 -1.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.778 13.016 -0.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.917 12.896 -1.789 1.00 0.00 H new ATOM 741 N GLY A 49 2.099 10.151 -4.084 1.00 0.00 N ATOM 742 CA GLY A 49 2.871 10.338 -5.322 1.00 0.00 C ATOM 743 C GLY A 49 4.334 9.859 -5.276 1.00 0.00 C ATOM 744 O GLY A 49 5.116 10.229 -6.156 1.00 0.00 O ATOM 0 H GLY A 49 1.447 9.368 -4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.361 9.812 -6.129 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.863 11.398 -5.577 1.00 0.00 H new ATOM 748 N ARG A 50 4.722 9.053 -4.276 1.00 0.00 N ATOM 749 CA ARG A 50 6.082 8.507 -4.085 1.00 0.00 C ATOM 750 C ARG A 50 6.052 7.006 -3.749 1.00 0.00 C ATOM 751 O ARG A 50 5.034 6.481 -3.297 1.00 0.00 O ATOM 752 CB ARG A 50 6.798 9.322 -2.980 1.00 0.00 C ATOM 753 CG ARG A 50 8.302 9.521 -3.238 1.00 0.00 C ATOM 754 CD ARG A 50 8.587 10.651 -4.242 1.00 0.00 C ATOM 755 NE ARG A 50 8.454 11.985 -3.618 1.00 0.00 N ATOM 756 CZ ARG A 50 8.409 13.154 -4.237 1.00 0.00 C ATOM 757 NH1 ARG A 50 8.412 13.254 -5.537 1.00 0.00 N ATOM 758 NH2 ARG A 50 8.364 14.259 -3.550 1.00 0.00 N ATOM 0 H ARG A 50 4.075 8.750 -3.548 1.00 0.00 H new ATOM 0 HA ARG A 50 6.637 8.600 -5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.321 10.298 -2.893 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.666 8.816 -2.024 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.802 9.743 -2.295 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.728 8.591 -3.613 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.594 10.536 -4.643 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.898 10.573 -5.083 1.00 0.00 H new ATOM 0 HE ARG A 50 8.390 12.007 -2.600 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.450 12.413 -6.113 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.376 14.173 -5.978 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.363 14.226 -2.531 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.329 15.158 -4.031 1.00 0.00 H new ATOM 772 N ALA A 51 7.168 6.309 -3.954 1.00 0.00 N ATOM 773 CA ALA A 51 7.361 4.936 -3.478 1.00 0.00 C ATOM 774 C ALA A 51 7.862 4.913 -2.018 1.00 0.00 C ATOM 775 O ALA A 51 8.813 5.620 -1.673 1.00 0.00 O ATOM 776 CB ALA A 51 8.337 4.222 -4.421 1.00 0.00 C ATOM 0 H ALA A 51 7.972 6.682 -4.459 1.00 0.00 H new ATOM 0 HA ALA A 51 6.406 4.411 -3.485 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.490 3.198 -4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.925 4.210 -5.430 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.291 4.750 -4.425 1.00 0.00 H new ATOM 782 N LEU A 52 7.257 4.075 -1.168 1.00 0.00 N ATOM 783 CA LEU A 52 7.763 3.768 0.178 1.00 0.00 C ATOM 784 C LEU A 52 8.780 2.617 0.120 1.00 0.00 C ATOM 785 O LEU A 52 8.482 1.545 -0.415 1.00 0.00 O ATOM 786 CB LEU A 52 6.595 3.415 1.121 1.00 0.00 C ATOM 787 CG LEU A 52 5.680 4.601 1.484 1.00 0.00 C ATOM 788 CD1 LEU A 52 4.415 4.083 2.166 1.00 0.00 C ATOM 789 CD2 LEU A 52 6.363 5.583 2.439 1.00 0.00 C ATOM 0 H LEU A 52 6.392 3.585 -1.397 1.00 0.00 H new ATOM 0 HA LEU A 52 8.268 4.651 0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.991 2.637 0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.002 2.993 2.040 1.00 0.00 H new ATOM 0 HG LEU A 52 5.444 5.121 0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.769 4.923 2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.886 3.412 1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.686 3.544 3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.681 6.402 2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.632 5.067 3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.263 5.980 1.970 1.00 0.00 H new ATOM 801 N LYS A 53 9.971 2.826 0.697 1.00 0.00 N ATOM 802 CA LYS A 53 11.041 1.820 0.832 1.00 0.00 C ATOM 803 C LYS A 53 11.972 2.177 2.000 1.00 0.00 C ATOM 804 O LYS A 53 12.410 3.322 2.109 1.00 0.00 O ATOM 805 CB LYS A 53 11.824 1.722 -0.496 1.00 0.00 C ATOM 806 CG LYS A 53 12.586 0.393 -0.676 1.00 0.00 C ATOM 807 CD LYS A 53 11.923 -0.551 -1.700 1.00 0.00 C ATOM 808 CE LYS A 53 10.545 -1.088 -1.284 1.00 0.00 C ATOM 809 NZ LYS A 53 10.652 -2.219 -0.321 1.00 0.00 N ATOM 0 H LYS A 53 10.228 3.729 1.097 1.00 0.00 H new ATOM 0 HA LYS A 53 10.598 0.848 1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.129 1.846 -1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 53 12.535 2.547 -0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 53 13.606 0.606 -0.995 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.653 -0.114 0.287 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.820 -0.022 -2.647 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.588 -1.396 -1.878 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.963 -0.283 -0.834 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.002 -1.417 -2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.699 -2.550 -0.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.184 -2.998 -0.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.147 -1.900 0.536 1.00 0.00 H new ATOM 823 N ASP A 54 12.266 1.203 2.865 1.00 0.00 N ATOM 824 CA ASP A 54 13.191 1.318 4.011 1.00 0.00 C ATOM 825 C ASP A 54 12.870 2.467 5.003 1.00 0.00 C ATOM 826 O ASP A 54 13.765 3.037 5.634 1.00 0.00 O ATOM 827 CB ASP A 54 14.647 1.333 3.494 1.00 0.00 C ATOM 828 CG ASP A 54 15.710 1.009 4.563 1.00 0.00 C ATOM 829 OD1 ASP A 54 15.410 0.295 5.553 1.00 0.00 O ATOM 830 OD2 ASP A 54 16.881 1.421 4.381 1.00 0.00 O ATOM 0 H ASP A 54 11.853 0.273 2.789 1.00 0.00 H new ATOM 0 HA ASP A 54 13.047 0.433 4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.737 0.613 2.680 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.860 2.316 3.075 1.00 0.00 H new ATOM 835 N THR A 55 11.590 2.845 5.135 1.00 0.00 N ATOM 836 CA THR A 55 11.148 3.988 5.966 1.00 0.00 C ATOM 837 C THR A 55 10.951 3.641 7.450 1.00 0.00 C ATOM 838 O THR A 55 10.811 4.545 8.268 1.00 0.00 O ATOM 839 CB THR A 55 9.863 4.637 5.414 1.00 0.00 C ATOM 840 OG1 THR A 55 8.741 3.802 5.593 1.00 0.00 O ATOM 841 CG2 THR A 55 9.949 4.941 3.918 1.00 0.00 C ATOM 0 H THR A 55 10.821 2.365 4.666 1.00 0.00 H new ATOM 0 HA THR A 55 11.969 4.702 5.908 1.00 0.00 H new ATOM 0 HB THR A 55 9.756 5.565 5.976 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.944 4.244 5.234 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.016 5.397 3.585 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.775 5.628 3.733 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.117 4.015 3.368 1.00 0.00 H new ATOM 849 N GLU A 56 10.946 2.352 7.811 1.00 0.00 N ATOM 850 CA GLU A 56 10.648 1.783 9.143 1.00 0.00 C ATOM 851 C GLU A 56 9.209 2.019 9.658 1.00 0.00 C ATOM 852 O GLU A 56 8.515 1.049 9.970 1.00 0.00 O ATOM 853 CB GLU A 56 11.730 2.191 10.164 1.00 0.00 C ATOM 854 CG GLU A 56 11.662 1.369 11.460 1.00 0.00 C ATOM 855 CD GLU A 56 12.817 1.704 12.427 1.00 0.00 C ATOM 856 OE1 GLU A 56 13.076 2.899 12.703 1.00 0.00 O ATOM 857 OE2 GLU A 56 13.467 0.758 12.943 1.00 0.00 O ATOM 0 H GLU A 56 11.165 1.621 7.134 1.00 0.00 H new ATOM 0 HA GLU A 56 10.685 0.701 9.016 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.714 2.069 9.712 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.618 3.249 10.403 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.710 1.556 11.956 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.692 0.307 11.216 1.00 0.00 H new ATOM 864 N THR A 57 8.735 3.270 9.707 1.00 0.00 N ATOM 865 CA THR A 57 7.366 3.673 10.093 1.00 0.00 C ATOM 866 C THR A 57 6.911 4.923 9.329 1.00 0.00 C ATOM 867 O THR A 57 7.733 5.728 8.880 1.00 0.00 O ATOM 868 CB THR A 57 7.221 3.964 11.601 1.00 0.00 C ATOM 869 OG1 THR A 57 7.963 5.113 11.967 1.00 0.00 O ATOM 870 CG2 THR A 57 7.641 2.815 12.516 1.00 0.00 C ATOM 0 H THR A 57 9.319 4.071 9.468 1.00 0.00 H new ATOM 0 HA THR A 57 6.740 2.818 9.838 1.00 0.00 H new ATOM 0 HB THR A 57 6.152 4.119 11.745 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.855 5.280 12.927 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.505 3.110 13.556 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.028 1.939 12.304 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.690 2.575 12.341 1.00 0.00 H new ATOM 878 N LEU A 58 5.590 5.134 9.229 1.00 0.00 N ATOM 879 CA LEU A 58 5.012 6.399 8.740 1.00 0.00 C ATOM 880 C LEU A 58 5.334 7.580 9.672 1.00 0.00 C ATOM 881 O LEU A 58 5.530 8.701 9.206 1.00 0.00 O ATOM 882 CB LEU A 58 3.478 6.252 8.602 1.00 0.00 C ATOM 883 CG LEU A 58 2.991 6.116 7.148 1.00 0.00 C ATOM 884 CD1 LEU A 58 1.509 5.737 7.142 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.145 7.425 6.368 1.00 0.00 C ATOM 0 H LEU A 58 4.892 4.435 9.484 1.00 0.00 H new ATOM 0 HA LEU A 58 5.459 6.611 7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.155 5.377 9.166 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.998 7.119 9.056 1.00 0.00 H new ATOM 0 HG LEU A 58 3.601 5.348 6.672 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.162 5.640 6.113 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.374 4.788 7.661 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.933 6.512 7.647 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.790 7.284 5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.560 8.208 6.851 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.195 7.716 6.350 1.00 0.00 H new ATOM 897 N GLU A 59 5.407 7.339 10.986 1.00 0.00 N ATOM 898 CA GLU A 59 5.664 8.375 11.994 1.00 0.00 C ATOM 899 C GLU A 59 7.043 9.036 11.839 1.00 0.00 C ATOM 900 O GLU A 59 7.158 10.247 12.036 1.00 0.00 O ATOM 901 CB GLU A 59 5.432 7.771 13.390 1.00 0.00 C ATOM 902 CG GLU A 59 5.488 8.787 14.547 1.00 0.00 C ATOM 903 CD GLU A 59 6.904 9.126 15.067 1.00 0.00 C ATOM 904 OE1 GLU A 59 7.844 8.308 14.926 1.00 0.00 O ATOM 905 OE2 GLU A 59 7.070 10.211 15.675 1.00 0.00 O ATOM 0 H GLU A 59 5.288 6.408 11.385 1.00 0.00 H new ATOM 0 HA GLU A 59 4.962 9.196 11.847 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.459 7.280 13.402 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.181 6.998 13.566 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.009 9.710 14.220 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.898 8.399 15.377 1.00 0.00 H new ATOM 912 N SER A 60 8.063 8.291 11.395 1.00 0.00 N ATOM 913 CA SER A 60 9.411 8.835 11.148 1.00 0.00 C ATOM 914 C SER A 60 9.454 9.894 10.029 1.00 0.00 C ATOM 915 O SER A 60 10.299 10.793 10.062 1.00 0.00 O ATOM 916 CB SER A 60 10.386 7.698 10.824 1.00 0.00 C ATOM 917 OG SER A 60 10.200 7.213 9.507 1.00 0.00 O ATOM 0 H SER A 60 7.981 7.294 11.196 1.00 0.00 H new ATOM 0 HA SER A 60 9.709 9.341 12.066 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.410 8.052 10.941 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.246 6.884 11.535 1.00 0.00 H new ATOM 0 HG SER A 60 9.335 6.756 9.446 1.00 0.00 H new ATOM 923 N LEU A 61 8.527 9.819 9.063 1.00 0.00 N ATOM 924 CA LEU A 61 8.354 10.775 7.959 1.00 0.00 C ATOM 925 C LEU A 61 7.243 11.817 8.225 1.00 0.00 C ATOM 926 O LEU A 61 6.930 12.627 7.348 1.00 0.00 O ATOM 927 CB LEU A 61 8.105 10.005 6.643 1.00 0.00 C ATOM 928 CG LEU A 61 9.182 8.973 6.251 1.00 0.00 C ATOM 929 CD1 LEU A 61 8.846 8.396 4.874 1.00 0.00 C ATOM 930 CD2 LEU A 61 10.589 9.574 6.167 1.00 0.00 C ATOM 0 H LEU A 61 7.848 9.058 9.028 1.00 0.00 H new ATOM 0 HA LEU A 61 9.276 11.349 7.873 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.148 9.490 6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.012 10.729 5.833 1.00 0.00 H new ATOM 0 HG LEU A 61 9.182 8.211 7.031 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.604 7.665 4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.870 7.911 4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.824 9.200 4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.300 8.797 5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.602 10.365 5.418 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.866 9.988 7.137 1.00 0.00 H new ATOM 942 N GLY A 62 6.648 11.804 9.424 1.00 0.00 N ATOM 943 CA GLY A 62 5.476 12.598 9.797 1.00 0.00 C ATOM 944 C GLY A 62 4.161 11.899 9.424 1.00 0.00 C ATOM 945 O GLY A 62 3.723 11.944 8.272 1.00 0.00 O ATOM 0 H GLY A 62 6.984 11.218 10.188 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.494 12.787 10.870 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.523 13.568 9.302 1.00 0.00 H new ATOM 949 N VAL A 63 3.522 11.264 10.414 1.00 0.00 N ATOM 950 CA VAL A 63 2.209 10.602 10.283 1.00 0.00 C ATOM 951 C VAL A 63 1.060 11.623 10.192 1.00 0.00 C ATOM 952 O VAL A 63 1.141 12.720 10.752 1.00 0.00 O ATOM 953 CB VAL A 63 2.005 9.574 11.422 1.00 0.00 C ATOM 954 CG1 VAL A 63 2.010 10.203 12.823 1.00 0.00 C ATOM 955 CG2 VAL A 63 0.721 8.751 11.274 1.00 0.00 C ATOM 0 H VAL A 63 3.910 11.192 11.355 1.00 0.00 H new ATOM 0 HA VAL A 63 2.195 10.052 9.342 1.00 0.00 H new ATOM 0 HB VAL A 63 2.868 8.915 11.324 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.862 9.425 13.572 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.966 10.697 12.997 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.205 10.935 12.896 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.640 8.050 12.105 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.141 9.418 11.276 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.749 8.198 10.335 1.00 0.00 H new ATOM 965 N ALA A 64 -0.021 11.254 9.501 1.00 0.00 N ATOM 966 CA ALA A 64 -1.263 12.022 9.367 1.00 0.00 C ATOM 967 C ALA A 64 -2.499 11.093 9.420 1.00 0.00 C ATOM 968 O ALA A 64 -2.390 9.900 9.726 1.00 0.00 O ATOM 969 CB ALA A 64 -1.170 12.840 8.067 1.00 0.00 C ATOM 0 H ALA A 64 -0.057 10.369 8.995 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.389 12.710 10.203 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.081 13.424 7.938 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.313 13.512 8.120 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.049 12.165 7.220 1.00 0.00 H new ATOM 975 N ASP A 65 -3.691 11.629 9.145 1.00 0.00 N ATOM 976 CA ASP A 65 -4.941 10.864 9.034 1.00 0.00 C ATOM 977 C ASP A 65 -5.597 11.047 7.657 1.00 0.00 C ATOM 978 O ASP A 65 -5.517 12.124 7.058 1.00 0.00 O ATOM 979 CB ASP A 65 -5.894 11.251 10.178 1.00 0.00 C ATOM 980 CG ASP A 65 -6.959 10.184 10.461 1.00 0.00 C ATOM 981 OD1 ASP A 65 -6.605 8.978 10.447 1.00 0.00 O ATOM 982 OD2 ASP A 65 -8.124 10.544 10.741 1.00 0.00 O ATOM 0 H ASP A 65 -3.819 12.629 8.989 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.708 9.803 9.126 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.313 11.425 11.084 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.387 12.191 9.930 1.00 0.00 H new ATOM 987 N GLY A 66 -6.238 9.993 7.143 1.00 0.00 N ATOM 988 CA GLY A 66 -6.808 9.983 5.790 1.00 0.00 C ATOM 989 C GLY A 66 -5.770 9.821 4.666 1.00 0.00 C ATOM 990 O GLY A 66 -6.049 10.181 3.520 1.00 0.00 O ATOM 0 H GLY A 66 -6.377 9.121 7.653 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.532 9.171 5.720 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.355 10.913 5.632 1.00 0.00 H new ATOM 994 N ASP A 67 -4.578 9.299 4.971 1.00 0.00 N ATOM 995 CA ASP A 67 -3.551 8.947 3.976 1.00 0.00 C ATOM 996 C ASP A 67 -4.072 7.921 2.954 1.00 0.00 C ATOM 997 O ASP A 67 -4.717 6.938 3.335 1.00 0.00 O ATOM 998 CB ASP A 67 -2.316 8.382 4.694 1.00 0.00 C ATOM 999 CG ASP A 67 -1.475 9.453 5.409 1.00 0.00 C ATOM 1000 OD1 ASP A 67 -1.238 10.535 4.821 1.00 0.00 O ATOM 1001 OD2 ASP A 67 -1.018 9.194 6.546 1.00 0.00 O ATOM 0 H ASP A 67 -4.292 9.105 5.930 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.287 9.853 3.430 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.639 7.639 5.423 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.689 7.865 3.968 1.00 0.00 H new ATOM 1006 N LYS A 68 -3.778 8.120 1.659 1.00 0.00 N ATOM 1007 CA LYS A 68 -4.221 7.221 0.579 1.00 0.00 C ATOM 1008 C LYS A 68 -3.076 6.456 -0.087 1.00 0.00 C ATOM 1009 O LYS A 68 -1.996 6.999 -0.323 1.00 0.00 O ATOM 1010 CB LYS A 68 -5.148 7.932 -0.423 1.00 0.00 C ATOM 1011 CG LYS A 68 -4.488 9.067 -1.225 1.00 0.00 C ATOM 1012 CD LYS A 68 -5.380 9.575 -2.373 1.00 0.00 C ATOM 1013 CE LYS A 68 -6.743 10.135 -1.934 1.00 0.00 C ATOM 1014 NZ LYS A 68 -6.619 11.403 -1.166 1.00 0.00 N ATOM 0 H LYS A 68 -3.225 8.911 1.330 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.824 6.449 1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.538 7.192 -1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.001 8.339 0.120 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.258 9.895 -0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.541 8.715 -1.634 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.842 10.352 -2.915 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.548 8.756 -3.073 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.362 10.307 -2.815 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.257 9.393 -1.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.565 11.738 -0.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.052 11.237 -0.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.153 12.122 -1.756 1.00 0.00 H new ATOM 1028 N PHE A 69 -3.340 5.191 -0.398 1.00 0.00 N ATOM 1029 CA PHE A 69 -2.389 4.218 -0.940 1.00 0.00 C ATOM 1030 C PHE A 69 -2.931 3.662 -2.261 1.00 0.00 C ATOM 1031 O PHE A 69 -4.098 3.279 -2.324 1.00 0.00 O ATOM 1032 CB PHE A 69 -2.187 3.098 0.093 1.00 0.00 C ATOM 1033 CG PHE A 69 -1.334 3.469 1.296 1.00 0.00 C ATOM 1034 CD1 PHE A 69 -1.864 4.260 2.337 1.00 0.00 C ATOM 1035 CD2 PHE A 69 -0.011 2.993 1.392 1.00 0.00 C ATOM 1036 CE1 PHE A 69 -1.070 4.584 3.452 1.00 0.00 C ATOM 1037 CE2 PHE A 69 0.774 3.300 2.514 1.00 0.00 C ATOM 1038 CZ PHE A 69 0.248 4.100 3.541 1.00 0.00 C ATOM 0 H PHE A 69 -4.271 4.793 -0.273 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.427 4.690 -1.139 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.165 2.773 0.448 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.730 2.244 -0.406 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -2.881 4.617 2.278 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.401 2.389 0.598 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -1.472 5.204 4.240 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.783 2.921 2.588 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.856 4.344 4.400 1.00 0.00 H new ATOM 1048 N VAL A 70 -2.114 3.602 -3.315 1.00 0.00 N ATOM 1049 CA VAL A 70 -2.564 3.212 -4.667 1.00 0.00 C ATOM 1050 C VAL A 70 -1.758 2.026 -5.187 1.00 0.00 C ATOM 1051 O VAL A 70 -0.532 2.107 -5.304 1.00 0.00 O ATOM 1052 CB VAL A 70 -2.513 4.403 -5.645 1.00 0.00 C ATOM 1053 CG1 VAL A 70 -3.038 4.012 -7.034 1.00 0.00 C ATOM 1054 CG2 VAL A 70 -3.362 5.582 -5.146 1.00 0.00 C ATOM 0 H VAL A 70 -1.119 3.821 -3.262 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.606 2.901 -4.595 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.465 4.696 -5.707 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.988 4.875 -7.698 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.427 3.206 -7.440 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.072 3.678 -6.951 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.301 6.402 -5.861 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.400 5.265 -5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.988 5.916 -4.178 1.00 0.00 H new ATOM 1064 N LEU A 71 -2.453 0.929 -5.506 1.00 0.00 N ATOM 1065 CA LEU A 71 -1.871 -0.273 -6.108 1.00 0.00 C ATOM 1066 C LEU A 71 -2.049 -0.241 -7.633 1.00 0.00 C ATOM 1067 O LEU A 71 -3.138 0.070 -8.118 1.00 0.00 O ATOM 1068 CB LEU A 71 -2.533 -1.534 -5.510 1.00 0.00 C ATOM 1069 CG LEU A 71 -1.551 -2.676 -5.217 1.00 0.00 C ATOM 1070 CD1 LEU A 71 -0.723 -2.370 -3.975 1.00 0.00 C ATOM 1071 CD2 LEU A 71 -2.318 -3.979 -4.980 1.00 0.00 C ATOM 0 H LEU A 71 -3.458 0.851 -5.349 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.804 -0.301 -5.887 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.042 -1.261 -4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.296 -1.893 -6.200 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.890 -2.780 -6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.034 -3.193 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.158 -1.451 -4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.385 -2.247 -3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.613 -4.784 -4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.989 -3.857 -4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.899 -4.226 -5.868 1.00 0.00 H new ATOM 1083 N ILE A 72 -1.012 -0.626 -8.380 1.00 0.00 N ATOM 1084 CA ILE A 72 -1.029 -0.710 -9.848 1.00 0.00 C ATOM 1085 C ILE A 72 -0.511 -2.085 -10.275 1.00 0.00 C ATOM 1086 O ILE A 72 0.592 -2.474 -9.888 1.00 0.00 O ATOM 1087 CB ILE A 72 -0.207 0.433 -10.496 1.00 0.00 C ATOM 1088 CG1 ILE A 72 -0.629 1.845 -10.021 1.00 0.00 C ATOM 1089 CG2 ILE A 72 -0.333 0.365 -12.031 1.00 0.00 C ATOM 1090 CD1 ILE A 72 0.234 2.379 -8.867 1.00 0.00 C ATOM 0 H ILE A 72 -0.115 -0.895 -7.975 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.054 -0.589 -10.199 1.00 0.00 H new ATOM 0 HB ILE A 72 0.825 0.281 -10.180 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.569 2.537 -10.861 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.672 1.818 -9.704 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.247 1.171 -12.480 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.045 -0.594 -12.385 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.380 0.470 -12.315 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.114 3.372 -8.582 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.155 1.707 -8.012 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.274 2.437 -9.187 1.00 0.00 H new ATOM 1102 N THR A 73 -1.290 -2.817 -11.076 1.00 0.00 N ATOM 1103 CA THR A 73 -0.969 -4.178 -11.545 1.00 0.00 C ATOM 1104 C THR A 73 -0.841 -4.248 -13.070 1.00 0.00 C ATOM 1105 O THR A 73 -1.593 -3.593 -13.801 1.00 0.00 O ATOM 1106 CB THR A 73 -1.988 -5.198 -11.003 1.00 0.00 C ATOM 1107 OG1 THR A 73 -1.539 -6.509 -11.242 1.00 0.00 O ATOM 1108 CG2 THR A 73 -3.385 -5.095 -11.624 1.00 0.00 C ATOM 0 H THR A 73 -2.185 -2.476 -11.428 1.00 0.00 H new ATOM 0 HA THR A 73 0.010 -4.442 -11.145 1.00 0.00 H new ATOM 0 HB THR A 73 -2.067 -4.966 -9.941 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.873 -6.755 -10.567 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.036 -5.850 -11.183 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.797 -4.104 -11.431 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.318 -5.257 -12.700 1.00 0.00 H new ATOM 1116 N ARG A 74 0.113 -5.043 -13.567 1.00 0.00 N ATOM 1117 CA ARG A 74 0.270 -5.382 -14.991 1.00 0.00 C ATOM 1118 C ARG A 74 -0.691 -6.498 -15.411 1.00 0.00 C ATOM 1119 O ARG A 74 -0.835 -7.503 -14.712 1.00 0.00 O ATOM 1120 CB ARG A 74 1.727 -5.801 -15.272 1.00 0.00 C ATOM 1121 CG ARG A 74 2.699 -4.615 -15.396 1.00 0.00 C ATOM 1122 CD ARG A 74 2.519 -3.876 -16.733 1.00 0.00 C ATOM 1123 NE ARG A 74 3.515 -2.802 -16.917 1.00 0.00 N ATOM 1124 CZ ARG A 74 4.746 -2.919 -17.391 1.00 0.00 C ATOM 1125 NH1 ARG A 74 5.268 -4.073 -17.705 1.00 0.00 N ATOM 1126 NH2 ARG A 74 5.484 -1.861 -17.564 1.00 0.00 N ATOM 0 H ARG A 74 0.818 -5.482 -12.975 1.00 0.00 H new ATOM 0 HA ARG A 74 0.028 -4.496 -15.578 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.068 -6.457 -14.471 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.757 -6.382 -16.194 1.00 0.00 H new ATOM 0 HG2 ARG A 74 2.536 -3.922 -14.571 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.725 -4.974 -15.313 1.00 0.00 H new ATOM 0 HD2 ARG A 74 2.601 -4.589 -17.554 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.516 -3.451 -16.779 1.00 0.00 H new ATOM 0 HE ARG A 74 3.222 -1.863 -16.648 1.00 0.00 H new ATOM 0 HH11 ARG A 74 4.724 -4.928 -17.588 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.220 -4.120 -18.067 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.115 -0.938 -17.334 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.432 -1.954 -17.929 1.00 0.00 H new ATOM 1140 N THR A 75 -1.295 -6.356 -16.589 1.00 0.00 N ATOM 1141 CA THR A 75 -2.064 -7.424 -17.252 1.00 0.00 C ATOM 1142 C THR A 75 -1.115 -8.509 -17.776 1.00 0.00 C ATOM 1143 O THR A 75 -0.351 -8.279 -18.718 1.00 0.00 O ATOM 1144 CB THR A 75 -2.929 -6.860 -18.396 1.00 0.00 C ATOM 1145 OG1 THR A 75 -2.185 -6.029 -19.267 1.00 0.00 O ATOM 1146 CG2 THR A 75 -4.085 -6.016 -17.858 1.00 0.00 C ATOM 0 H THR A 75 -1.268 -5.487 -17.122 1.00 0.00 H new ATOM 0 HA THR A 75 -2.735 -7.868 -16.517 1.00 0.00 H new ATOM 0 HB THR A 75 -3.302 -7.731 -18.935 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.278 -6.387 -19.365 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.675 -5.634 -18.691 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.717 -6.631 -17.218 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.688 -5.181 -17.281 1.00 0.00 H new ATOM 1154 N VAL A 76 -1.140 -9.698 -17.164 1.00 0.00 N ATOM 1155 CA VAL A 76 -0.297 -10.839 -17.567 1.00 0.00 C ATOM 1156 C VAL A 76 -0.829 -11.447 -18.874 1.00 0.00 C ATOM 1157 O VAL A 76 -1.979 -11.895 -18.934 1.00 0.00 O ATOM 1158 CB VAL A 76 -0.207 -11.892 -16.441 1.00 0.00 C ATOM 1159 CG1 VAL A 76 0.653 -13.096 -16.847 1.00 0.00 C ATOM 1160 CG2 VAL A 76 0.410 -11.292 -15.168 1.00 0.00 C ATOM 0 H VAL A 76 -1.748 -9.901 -16.370 1.00 0.00 H new ATOM 0 HA VAL A 76 0.717 -10.481 -17.746 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.230 -12.218 -16.254 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.689 -13.811 -16.025 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.219 -13.574 -17.725 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.663 -12.760 -17.079 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.460 -12.057 -14.393 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.415 -10.930 -15.386 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.207 -10.463 -14.820 1.00 0.00 H new ATOM 1170 N GLY A 77 0.002 -11.456 -19.924 1.00 0.00 N ATOM 1171 CA GLY A 77 -0.335 -11.949 -21.271 1.00 0.00 C ATOM 1172 C GLY A 77 0.640 -11.453 -22.339 1.00 0.00 C ATOM 1173 O GLY A 77 0.203 -10.703 -23.239 1.00 0.00 O ATOM 1174 OXT GLY A 77 1.835 -11.812 -22.265 1.00 0.00 O ATOM 0 H GLY A 77 0.959 -11.110 -19.860 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.338 -13.039 -21.265 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.345 -11.629 -21.529 1.00 0.00 H new TER 1178 GLY A 77