USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 372 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 132 MET CE :methyl -125:sc= -0.687 (180deg=-1.78!) USER MOD Set 1.2: A 134 SER OG : rot 180:sc= -0.0418 USER MOD Single : A 126 ASN : amide:sc= -0.207 X(o=-0.21,f=-0.026) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= -0.165 X(o=-0.16,f=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= -0.0545 X(o=-0.054,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 -7.091 6.247 -16.147 1.00 0.00 N ATOM 2 CA ASN A 126 -7.987 6.220 -14.962 1.00 0.00 C ATOM 3 C ASN A 126 -7.369 6.970 -13.786 1.00 0.00 C ATOM 4 O ASN A 126 -6.282 7.536 -13.899 1.00 0.00 O ATOM 5 CB ASN A 126 -8.246 4.762 -14.581 1.00 0.00 C ATOM 6 CG ASN A 126 -9.448 4.180 -15.301 1.00 0.00 C ATOM 7 OD1 ASN A 126 -9.352 3.143 -15.956 1.00 0.00 O ATOM 8 ND2 ASN A 126 -10.589 4.850 -15.182 1.00 0.00 N ATOM 0 HA ASN A 126 -8.925 6.716 -15.211 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -7.363 4.166 -14.814 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -8.402 4.693 -13.504 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -11.432 4.508 -15.644 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -10.622 5.706 -14.628 1.00 0.00 H new ATOM 17 N ARG A 127 -8.072 6.972 -12.657 1.00 0.00 N ATOM 18 CA ARG A 127 -7.592 7.653 -11.460 1.00 0.00 C ATOM 19 C ARG A 127 -6.383 6.935 -10.869 1.00 0.00 C ATOM 20 O ARG A 127 -6.040 5.829 -11.289 1.00 0.00 O ATOM 21 CB ARG A 127 -8.707 7.741 -10.415 1.00 0.00 C ATOM 22 CG ARG A 127 -9.955 8.452 -10.917 1.00 0.00 C ATOM 23 CD ARG A 127 -10.456 9.477 -9.912 1.00 0.00 C ATOM 24 NE ARG A 127 -10.507 8.936 -8.556 1.00 0.00 N ATOM 25 CZ ARG A 127 -10.556 9.688 -7.459 1.00 0.00 C ATOM 26 NH1 ARG A 127 -10.562 11.012 -7.552 1.00 0.00 N ATOM 27 NH2 ARG A 127 -10.600 9.115 -6.264 1.00 0.00 N ATOM 0 H ARG A 127 -8.975 6.510 -12.547 1.00 0.00 H new ATOM 0 HA ARG A 127 -7.289 8.660 -11.745 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -8.976 6.734 -10.096 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -8.330 8.263 -9.536 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -9.737 8.946 -11.864 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -10.738 7.720 -11.112 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -9.804 10.350 -9.929 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -11.450 9.816 -10.205 1.00 0.00 H new ATOM 0 HE ARG A 127 -10.505 7.922 -8.443 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -10.529 11.459 -8.468 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -10.600 11.582 -6.707 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -10.596 8.098 -6.186 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -10.638 9.691 -5.423 1.00 0.00 H new ATOM 41 N ARG A 128 -5.742 7.569 -9.894 1.00 0.00 N ATOM 42 CA ARG A 128 -4.571 6.992 -9.245 1.00 0.00 C ATOM 43 C ARG A 128 -4.931 5.691 -8.533 1.00 0.00 C ATOM 44 O ARG A 128 -6.064 5.219 -8.617 1.00 0.00 O ATOM 45 CB ARG A 128 -3.974 7.985 -8.247 1.00 0.00 C ATOM 46 CG ARG A 128 -2.932 8.908 -8.858 1.00 0.00 C ATOM 47 CD ARG A 128 -2.639 10.095 -7.955 1.00 0.00 C ATOM 48 NE ARG A 128 -3.807 10.957 -7.788 1.00 0.00 N ATOM 49 CZ ARG A 128 -3.747 12.208 -7.339 1.00 0.00 C ATOM 50 NH1 ARG A 128 -2.580 12.748 -7.012 1.00 0.00 N ATOM 51 NH2 ARG A 128 -4.858 12.922 -7.218 1.00 0.00 N ATOM 0 H ARG A 128 -6.014 8.484 -9.535 1.00 0.00 H new ATOM 0 HA ARG A 128 -3.831 6.772 -10.014 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -4.777 8.588 -7.822 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -3.520 7.432 -7.424 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -2.012 8.351 -9.038 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -3.284 9.264 -9.826 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -2.311 9.736 -6.980 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -1.817 10.675 -8.374 1.00 0.00 H new ATOM 0 HE ARG A 128 -4.722 10.577 -8.030 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -1.722 12.204 -7.104 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -2.540 13.708 -6.668 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -5.758 12.512 -7.469 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -4.813 13.881 -6.874 1.00 0.00 H new ATOM 65 N VAL A 129 -3.958 5.115 -7.833 1.00 0.00 N ATOM 66 CA VAL A 129 -4.176 3.867 -7.108 1.00 0.00 C ATOM 67 C VAL A 129 -4.897 4.119 -5.789 1.00 0.00 C ATOM 68 O VAL A 129 -4.864 5.228 -5.254 1.00 0.00 O ATOM 69 CB VAL A 129 -2.852 3.133 -6.810 1.00 0.00 C ATOM 70 CG1 VAL A 129 -3.103 1.645 -6.620 1.00 0.00 C ATOM 71 CG2 VAL A 129 -1.831 3.367 -7.915 1.00 0.00 C ATOM 0 H VAL A 129 -3.013 5.491 -7.752 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.791 3.241 -7.754 1.00 0.00 H new ATOM 0 HB VAL A 129 -2.441 3.539 -5.886 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -2.160 1.141 -6.411 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -3.788 1.495 -5.785 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -3.542 1.231 -7.528 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -0.909 2.837 -7.676 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -2.227 2.998 -8.861 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.625 4.434 -8.000 1.00 0.00 H new ATOM 81 N ILE A 130 -5.546 3.084 -5.267 1.00 0.00 N ATOM 82 CA ILE A 130 -6.269 3.195 -4.006 1.00 0.00 C ATOM 83 C ILE A 130 -5.352 2.908 -2.825 1.00 0.00 C ATOM 84 O ILE A 130 -4.900 1.779 -2.632 1.00 0.00 O ATOM 85 CB ILE A 130 -7.476 2.239 -3.960 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.363 2.460 -5.182 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.273 2.446 -2.680 1.00 0.00 C ATOM 88 CD1 ILE A 130 -8.062 1.519 -6.327 1.00 0.00 C ATOM 0 H ILE A 130 -5.586 2.160 -5.697 1.00 0.00 H new ATOM 0 HA ILE A 130 -6.633 4.220 -3.937 1.00 0.00 H new ATOM 0 HB ILE A 130 -7.110 1.212 -3.972 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.406 2.341 -4.890 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -8.244 3.487 -5.526 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.122 1.762 -2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.635 2.251 -1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.634 3.474 -2.639 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.731 1.734 -7.160 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -7.029 1.654 -6.647 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -8.209 0.490 -6.000 1.00 0.00 H new ATOM 100 N ALA A 131 -5.080 3.942 -2.041 1.00 0.00 N ATOM 101 CA ALA A 131 -4.215 3.812 -0.875 1.00 0.00 C ATOM 102 C ALA A 131 -4.351 5.019 0.045 1.00 0.00 C ATOM 103 O ALA A 131 -4.630 6.130 -0.407 1.00 0.00 O ATOM 104 CB ALA A 131 -2.768 3.640 -1.311 1.00 0.00 C ATOM 0 H ALA A 131 -5.446 4.882 -2.191 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.524 2.927 -0.319 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.132 3.544 -0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.677 2.743 -1.924 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.457 4.509 -1.891 1.00 0.00 H new ATOM 110 N MET A 132 -4.152 4.793 1.339 1.00 0.00 N ATOM 111 CA MET A 132 -4.251 5.863 2.323 1.00 0.00 C ATOM 112 C MET A 132 -3.160 6.908 2.100 1.00 0.00 C ATOM 113 O MET A 132 -2.067 6.584 1.636 1.00 0.00 O ATOM 114 CB MET A 132 -4.149 5.289 3.739 1.00 0.00 C ATOM 115 CG MET A 132 -5.495 5.123 4.427 1.00 0.00 C ATOM 116 SD MET A 132 -5.768 6.341 5.731 1.00 0.00 S ATOM 117 CE MET A 132 -4.308 6.091 6.738 1.00 0.00 C ATOM 0 H MET A 132 -3.922 3.879 1.730 1.00 0.00 H new ATOM 0 HA MET A 132 -5.220 6.348 2.205 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.651 4.320 3.694 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.520 5.943 4.343 1.00 0.00 H new ATOM 0 HG2 MET A 132 -6.290 5.207 3.686 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.560 4.121 4.852 1.00 0.00 H new ATOM 0 HE1 MET A 132 -4.606 5.883 7.766 1.00 0.00 H new ATOM 0 HE2 MET A 132 -3.737 5.248 6.348 1.00 0.00 H new ATOM 0 HE3 MET A 132 -3.691 6.989 6.714 1.00 0.00 H new ATOM 127 N PRO A 133 -3.443 8.179 2.431 1.00 0.00 N ATOM 128 CA PRO A 133 -2.480 9.272 2.266 1.00 0.00 C ATOM 129 C PRO A 133 -1.151 8.978 2.954 1.00 0.00 C ATOM 130 O PRO A 133 -0.113 9.520 2.575 1.00 0.00 O ATOM 131 CB PRO A 133 -3.171 10.478 2.922 1.00 0.00 C ATOM 132 CG PRO A 133 -4.312 9.911 3.702 1.00 0.00 C ATOM 133 CD PRO A 133 -4.715 8.653 2.991 1.00 0.00 C ATOM 0 HA PRO A 133 -2.231 9.435 1.217 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.483 11.019 3.571 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -3.523 11.185 2.171 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -4.016 9.700 4.730 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -5.142 10.616 3.748 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -5.154 7.925 3.673 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.453 8.846 2.213 1.00 0.00 H new ATOM 141 N SER A 134 -1.190 8.116 3.964 1.00 0.00 N ATOM 142 CA SER A 134 0.013 7.750 4.702 1.00 0.00 C ATOM 143 C SER A 134 0.679 6.525 4.085 1.00 0.00 C ATOM 144 O SER A 134 1.905 6.411 4.073 1.00 0.00 O ATOM 145 CB SER A 134 -0.325 7.477 6.169 1.00 0.00 C ATOM 146 OG SER A 134 -1.281 6.437 6.287 1.00 0.00 O ATOM 0 H SER A 134 -2.041 7.658 4.290 1.00 0.00 H new ATOM 0 HA SER A 134 0.710 8.586 4.647 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.581 7.205 6.710 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.712 8.385 6.631 1.00 0.00 H new ATOM 0 HG SER A 134 -1.479 6.280 7.234 1.00 0.00 H new ATOM 152 N VAL A 135 -0.137 5.608 3.573 1.00 0.00 N ATOM 153 CA VAL A 135 0.378 4.391 2.957 1.00 0.00 C ATOM 154 C VAL A 135 1.156 4.703 1.692 1.00 0.00 C ATOM 155 O VAL A 135 2.248 4.183 1.481 1.00 0.00 O ATOM 156 CB VAL A 135 -0.751 3.406 2.614 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.194 2.156 1.944 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.529 3.053 3.868 1.00 0.00 C ATOM 0 H VAL A 135 -1.154 5.685 3.573 1.00 0.00 H new ATOM 0 HA VAL A 135 1.041 3.930 3.689 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.431 3.883 1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.011 1.474 1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.320 2.435 1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.508 1.664 2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.327 2.355 3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.859 2.592 4.594 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.960 3.958 4.296 1.00 0.00 H new ATOM 168 N ARG A 136 0.590 5.554 0.851 1.00 0.00 N ATOM 169 CA ARG A 136 1.244 5.928 -0.393 1.00 0.00 C ATOM 170 C ARG A 136 2.645 6.457 -0.106 1.00 0.00 C ATOM 171 O ARG A 136 3.550 6.327 -0.926 1.00 0.00 O ATOM 172 CB ARG A 136 0.425 6.987 -1.131 1.00 0.00 C ATOM 173 CG ARG A 136 -0.994 6.547 -1.449 1.00 0.00 C ATOM 174 CD ARG A 136 -1.762 7.631 -2.190 1.00 0.00 C ATOM 175 NE ARG A 136 -1.881 8.854 -1.400 1.00 0.00 N ATOM 176 CZ ARG A 136 -2.745 9.830 -1.671 1.00 0.00 C ATOM 177 NH1 ARG A 136 -3.569 9.728 -2.708 1.00 0.00 N ATOM 178 NH2 ARG A 136 -2.788 10.909 -0.904 1.00 0.00 N ATOM 0 H ARG A 136 -0.316 5.997 1.006 1.00 0.00 H new ATOM 0 HA ARG A 136 1.319 5.044 -1.026 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.388 7.893 -0.526 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.933 7.245 -2.060 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.968 5.640 -2.054 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.515 6.298 -0.524 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -1.258 7.854 -3.130 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -2.757 7.263 -2.441 1.00 0.00 H new ATOM 0 HE ARG A 136 -1.266 8.967 -0.594 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -3.542 8.899 -3.301 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -4.229 10.479 -2.911 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -2.159 10.992 -0.105 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -3.450 11.657 -1.112 1.00 0.00 H new ATOM 192 N LYS A 137 2.814 7.037 1.079 1.00 0.00 N ATOM 193 CA LYS A 137 4.101 7.569 1.496 1.00 0.00 C ATOM 194 C LYS A 137 5.013 6.437 1.940 1.00 0.00 C ATOM 195 O LYS A 137 6.195 6.397 1.591 1.00 0.00 O ATOM 196 CB LYS A 137 3.921 8.574 2.635 1.00 0.00 C ATOM 197 CG LYS A 137 5.221 9.220 3.087 1.00 0.00 C ATOM 198 CD LYS A 137 5.731 10.226 2.065 1.00 0.00 C ATOM 199 CE LYS A 137 7.219 10.053 1.806 1.00 0.00 C ATOM 200 NZ LYS A 137 7.626 10.639 0.499 1.00 0.00 N ATOM 0 H LYS A 137 2.070 7.149 1.768 1.00 0.00 H new ATOM 0 HA LYS A 137 4.556 8.082 0.649 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.230 9.354 2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.461 8.069 3.485 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.067 9.719 4.044 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.975 8.449 3.247 1.00 0.00 H new ATOM 0 HD2 LYS A 137 5.182 10.107 1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 137 5.538 11.238 2.422 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.785 10.527 2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 137 7.470 8.992 1.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 8.647 10.501 0.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 7.105 10.170 -0.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 7.410 11.656 0.493 1.00 0.00 H new ATOM 214 N TYR A 138 4.451 5.519 2.719 1.00 0.00 N ATOM 215 CA TYR A 138 5.203 4.383 3.223 1.00 0.00 C ATOM 216 C TYR A 138 5.679 3.499 2.078 1.00 0.00 C ATOM 217 O TYR A 138 6.854 3.142 2.005 1.00 0.00 O ATOM 218 CB TYR A 138 4.328 3.574 4.170 1.00 0.00 C ATOM 219 CG TYR A 138 5.002 2.323 4.675 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.166 2.392 5.429 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.484 1.072 4.381 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.792 1.245 5.878 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.100 -0.076 4.826 1.00 0.00 C ATOM 224 CZ TYR A 138 6.255 0.013 5.574 1.00 0.00 C ATOM 225 OH TYR A 138 6.874 -1.132 6.018 1.00 0.00 O ATOM 0 H TYR A 138 3.475 5.543 3.014 1.00 0.00 H new ATOM 0 HA TYR A 138 6.078 4.753 3.758 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.049 4.198 5.019 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.405 3.301 3.658 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.588 3.357 5.668 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.582 0.996 3.793 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.697 1.314 6.464 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.680 -1.043 4.590 1.00 0.00 H new ATOM 0 HH TYR A 138 6.367 -1.915 5.718 1.00 0.00 H new ATOM 235 N ALA A 139 4.769 3.178 1.169 1.00 0.00 N ATOM 236 CA ALA A 139 5.108 2.370 0.011 1.00 0.00 C ATOM 237 C ALA A 139 6.086 3.140 -0.853 1.00 0.00 C ATOM 238 O ALA A 139 7.099 2.613 -1.295 1.00 0.00 O ATOM 239 CB ALA A 139 3.859 2.017 -0.784 1.00 0.00 C ATOM 0 H ALA A 139 3.791 3.466 1.213 1.00 0.00 H new ATOM 0 HA ALA A 139 5.566 1.438 0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.136 1.412 -1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.172 1.455 -0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.373 2.932 -1.124 1.00 0.00 H new ATOM 245 N ARG A 140 5.781 4.413 -1.063 1.00 0.00 N ATOM 246 CA ARG A 140 6.639 5.281 -1.853 1.00 0.00 C ATOM 247 C ARG A 140 8.062 5.267 -1.298 1.00 0.00 C ATOM 248 O ARG A 140 9.033 5.398 -2.043 1.00 0.00 O ATOM 249 CB ARG A 140 6.079 6.707 -1.849 1.00 0.00 C ATOM 250 CG ARG A 140 6.956 7.715 -2.576 1.00 0.00 C ATOM 251 CD ARG A 140 6.402 8.044 -3.952 1.00 0.00 C ATOM 252 NE ARG A 140 7.358 7.745 -5.015 1.00 0.00 N ATOM 253 CZ ARG A 140 8.404 8.515 -5.309 1.00 0.00 C ATOM 254 NH1 ARG A 140 8.632 9.628 -4.623 1.00 0.00 N ATOM 255 NH2 ARG A 140 9.224 8.170 -6.293 1.00 0.00 N ATOM 0 H ARG A 140 4.944 4.867 -0.696 1.00 0.00 H new ATOM 0 HA ARG A 140 6.666 4.915 -2.879 1.00 0.00 H new ATOM 0 HB2 ARG A 140 5.091 6.700 -2.310 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.947 7.032 -0.817 1.00 0.00 H new ATOM 0 HG2 ARG A 140 7.030 8.628 -1.985 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.966 7.316 -2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 140 5.486 7.477 -4.119 1.00 0.00 H new ATOM 0 HD3 ARG A 140 6.135 9.100 -3.992 1.00 0.00 H new ATOM 0 HE ARG A 140 7.216 6.897 -5.564 1.00 0.00 H new ATOM 0 HH11 ARG A 140 8.004 9.898 -3.866 1.00 0.00 H new ATOM 0 HH12 ARG A 140 9.435 10.213 -4.853 1.00 0.00 H new ATOM 0 HH21 ARG A 140 9.053 7.316 -6.824 1.00 0.00 H new ATOM 0 HH22 ARG A 140 10.025 8.759 -6.519 1.00 0.00 H new ATOM 269 N GLU A 141 8.174 5.099 0.018 1.00 0.00 N ATOM 270 CA GLU A 141 9.470 5.057 0.680 1.00 0.00 C ATOM 271 C GLU A 141 10.064 3.657 0.630 1.00 0.00 C ATOM 272 O GLU A 141 11.273 3.487 0.480 1.00 0.00 O ATOM 273 CB GLU A 141 9.329 5.509 2.134 1.00 0.00 C ATOM 274 CG GLU A 141 9.213 7.015 2.298 1.00 0.00 C ATOM 275 CD GLU A 141 10.555 7.681 2.523 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.563 7.184 1.980 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.597 8.701 3.243 1.00 0.00 O ATOM 0 H GLU A 141 7.378 4.990 0.646 1.00 0.00 H new ATOM 0 HA GLU A 141 10.143 5.734 0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.448 5.036 2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.191 5.156 2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.746 7.439 1.409 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.556 7.236 3.139 1.00 0.00 H new ATOM 284 N LYS A 142 9.202 2.659 0.774 1.00 0.00 N ATOM 285 CA LYS A 142 9.623 1.267 0.767 1.00 0.00 C ATOM 286 C LYS A 142 9.749 0.714 -0.654 1.00 0.00 C ATOM 287 O LYS A 142 9.609 -0.490 -0.867 1.00 0.00 O ATOM 288 CB LYS A 142 8.612 0.435 1.557 1.00 0.00 C ATOM 289 CG LYS A 142 8.562 0.754 3.047 1.00 0.00 C ATOM 290 CD LYS A 142 9.941 1.042 3.620 1.00 0.00 C ATOM 291 CE LYS A 142 9.865 1.410 5.093 1.00 0.00 C ATOM 292 NZ LYS A 142 11.216 1.614 5.685 1.00 0.00 N ATOM 0 H LYS A 142 8.198 2.791 0.898 1.00 0.00 H new ATOM 0 HA LYS A 142 10.608 1.208 1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.621 0.590 1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.852 -0.621 1.432 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.915 1.616 3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.116 -0.085 3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.579 0.167 3.495 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.405 1.856 3.064 1.00 0.00 H new ATOM 0 HE2 LYS A 142 9.276 2.320 5.210 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.345 0.622 5.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 11.121 1.863 6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.770 0.738 5.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.703 2.383 5.182 1.00 0.00 H new ATOM 306 N GLY A 143 10.005 1.588 -1.628 1.00 0.00 N ATOM 307 CA GLY A 143 10.130 1.135 -3.008 1.00 0.00 C ATOM 308 C GLY A 143 8.921 0.334 -3.459 1.00 0.00 C ATOM 309 O GLY A 143 8.998 -0.457 -4.398 1.00 0.00 O ATOM 0 H GLY A 143 10.127 2.591 -1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.257 1.998 -3.662 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.027 0.524 -3.109 1.00 0.00 H new ATOM 313 N VAL A 144 7.806 0.547 -2.772 1.00 0.00 N ATOM 314 CA VAL A 144 6.555 -0.137 -3.062 1.00 0.00 C ATOM 315 C VAL A 144 5.558 0.801 -3.725 1.00 0.00 C ATOM 316 O VAL A 144 5.392 1.947 -3.306 1.00 0.00 O ATOM 317 CB VAL A 144 5.918 -0.670 -1.765 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.624 -1.408 -2.061 1.00 0.00 C ATOM 319 CG2 VAL A 144 6.893 -1.557 -1.010 1.00 0.00 C ATOM 0 H VAL A 144 7.745 1.203 -1.994 1.00 0.00 H new ATOM 0 HA VAL A 144 6.788 -0.961 -3.736 1.00 0.00 H new ATOM 0 HB VAL A 144 5.678 0.182 -1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.193 -1.775 -1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 144 3.921 -0.730 -2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.828 -2.250 -2.723 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.421 -1.922 -0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.175 -2.403 -1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 144 7.783 -0.983 -0.754 1.00 0.00 H new ATOM 329 N ASP A 145 4.874 0.295 -4.738 1.00 0.00 N ATOM 330 CA ASP A 145 3.864 1.064 -5.436 1.00 0.00 C ATOM 331 C ASP A 145 2.515 0.399 -5.230 1.00 0.00 C ATOM 332 O ASP A 145 2.369 -0.801 -5.452 1.00 0.00 O ATOM 333 CB ASP A 145 4.192 1.170 -6.926 1.00 0.00 C ATOM 334 CG ASP A 145 3.373 2.239 -7.623 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.128 2.181 -7.541 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.976 3.134 -8.252 1.00 0.00 O ATOM 0 H ASP A 145 5.003 -0.652 -5.095 1.00 0.00 H new ATOM 0 HA ASP A 145 3.838 2.077 -5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.252 1.392 -7.047 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.011 0.208 -7.405 1.00 0.00 H new ATOM 341 N ILE A 146 1.536 1.169 -4.783 1.00 0.00 N ATOM 342 CA ILE A 146 0.203 0.638 -4.527 1.00 0.00 C ATOM 343 C ILE A 146 -0.292 -0.222 -5.692 1.00 0.00 C ATOM 344 O ILE A 146 -1.112 -1.122 -5.505 1.00 0.00 O ATOM 345 CB ILE A 146 -0.812 1.772 -4.266 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.265 2.750 -3.224 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.142 1.200 -3.803 1.00 0.00 C ATOM 348 CD1 ILE A 146 0.041 2.105 -1.889 1.00 0.00 C ATOM 0 H ILE A 146 1.638 2.165 -4.589 1.00 0.00 H new ATOM 0 HA ILE A 146 0.280 0.015 -3.636 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.972 2.311 -5.200 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.643 3.211 -3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.989 3.550 -3.074 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.845 2.013 -3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.541 0.538 -4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -1.995 0.638 -2.881 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.425 2.858 -1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.870 1.668 -1.479 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.789 1.324 -2.025 1.00 0.00 H new ATOM 360 N ARG A 147 0.218 0.050 -6.891 1.00 0.00 N ATOM 361 CA ARG A 147 -0.177 -0.707 -8.076 1.00 0.00 C ATOM 362 C ARG A 147 0.224 -2.170 -7.935 1.00 0.00 C ATOM 363 O ARG A 147 -0.492 -3.071 -8.371 1.00 0.00 O ATOM 364 CB ARG A 147 0.463 -0.106 -9.329 1.00 0.00 C ATOM 365 CG ARG A 147 -0.453 0.848 -10.081 1.00 0.00 C ATOM 366 CD ARG A 147 0.342 1.858 -10.892 1.00 0.00 C ATOM 367 NE ARG A 147 -0.527 2.756 -11.650 1.00 0.00 N ATOM 368 CZ ARG A 147 -1.194 2.395 -12.743 1.00 0.00 C ATOM 369 NH1 ARG A 147 -1.097 1.156 -13.208 1.00 0.00 N ATOM 370 NH2 ARG A 147 -1.962 3.274 -13.371 1.00 0.00 N ATOM 0 H ARG A 147 0.902 0.785 -7.067 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.261 -0.651 -8.173 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.372 0.424 -9.044 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.761 -0.913 -9.998 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -1.106 0.281 -10.744 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -1.095 1.372 -9.373 1.00 0.00 H new ATOM 0 HD2 ARG A 147 0.974 2.443 -10.224 1.00 0.00 H new ATOM 0 HD3 ARG A 147 1.006 1.331 -11.578 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.628 3.716 -11.322 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -0.509 0.475 -12.727 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -1.610 0.884 -14.046 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -2.042 4.227 -13.016 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -2.473 2.997 -14.209 1.00 0.00 H new ATOM 384 N LEU A 148 1.373 -2.388 -7.316 1.00 0.00 N ATOM 385 CA LEU A 148 1.895 -3.725 -7.093 1.00 0.00 C ATOM 386 C LEU A 148 1.365 -4.307 -5.785 1.00 0.00 C ATOM 387 O LEU A 148 1.626 -5.466 -5.462 1.00 0.00 O ATOM 388 CB LEU A 148 3.425 -3.686 -7.056 1.00 0.00 C ATOM 389 CG LEU A 148 4.062 -2.498 -7.780 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.570 -2.506 -7.611 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.691 -2.510 -9.254 1.00 0.00 C ATOM 0 H LEU A 148 1.969 -1.643 -6.955 1.00 0.00 H new ATOM 0 HA LEU A 148 1.565 -4.362 -7.914 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.747 -3.672 -6.015 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.807 -4.607 -7.496 1.00 0.00 H new ATOM 0 HG LEU A 148 3.675 -1.582 -7.333 1.00 0.00 H new ATOM 0 HD11 LEU A 148 5.999 -1.652 -8.135 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.818 -2.444 -6.551 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.978 -3.428 -8.025 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.153 -1.658 -9.752 1.00 0.00 H new ATOM 0 HD22 LEU A 148 4.046 -3.434 -9.711 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.608 -2.447 -9.357 1.00 0.00 H new ATOM 403 N VAL A 149 0.629 -3.495 -5.026 1.00 0.00 N ATOM 404 CA VAL A 149 0.085 -3.936 -3.749 1.00 0.00 C ATOM 405 C VAL A 149 -1.437 -3.957 -3.766 1.00 0.00 C ATOM 406 O VAL A 149 -2.081 -2.944 -4.038 1.00 0.00 O ATOM 407 CB VAL A 149 0.561 -3.026 -2.596 1.00 0.00 C ATOM 408 CG1 VAL A 149 0.400 -3.728 -1.257 1.00 0.00 C ATOM 409 CG2 VAL A 149 2.008 -2.596 -2.808 1.00 0.00 C ATOM 0 H VAL A 149 0.398 -2.533 -5.275 1.00 0.00 H new ATOM 0 HA VAL A 149 0.452 -4.949 -3.586 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.062 -2.131 -2.590 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.741 -3.070 -0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.650 -3.976 -1.100 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.993 -4.642 -1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 149 2.322 -1.956 -1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.648 -3.478 -2.846 1.00 0.00 H new ATOM 0 HG23 VAL A 149 2.091 -2.047 -3.746 1.00 0.00 H new ATOM 419 N GLN A 150 -2.007 -5.119 -3.466 1.00 0.00 N ATOM 420 CA GLN A 150 -3.455 -5.279 -3.438 1.00 0.00 C ATOM 421 C GLN A 150 -4.010 -4.855 -2.082 1.00 0.00 C ATOM 422 O GLN A 150 -3.803 -5.536 -1.078 1.00 0.00 O ATOM 423 CB GLN A 150 -3.832 -6.734 -3.728 1.00 0.00 C ATOM 424 CG GLN A 150 -4.980 -6.877 -4.712 1.00 0.00 C ATOM 425 CD GLN A 150 -5.641 -8.241 -4.643 1.00 0.00 C ATOM 426 OE1 GLN A 150 -6.866 -8.353 -4.704 1.00 0.00 O ATOM 427 NE2 GLN A 150 -4.831 -9.285 -4.511 1.00 0.00 N ATOM 0 H GLN A 150 -1.486 -5.966 -3.238 1.00 0.00 H new ATOM 0 HA GLN A 150 -3.889 -4.642 -4.208 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -2.960 -7.256 -4.121 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.102 -7.225 -2.793 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -5.724 -6.106 -4.511 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.610 -6.707 -5.723 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -3.822 -9.145 -4.465 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -5.218 -10.227 -4.456 1.00 0.00 H new ATOM 436 N GLY A 151 -4.707 -3.724 -2.058 1.00 0.00 N ATOM 437 CA GLY A 151 -5.267 -3.232 -0.817 1.00 0.00 C ATOM 438 C GLY A 151 -6.642 -3.794 -0.521 1.00 0.00 C ATOM 439 O GLY A 151 -7.475 -3.922 -1.417 1.00 0.00 O ATOM 0 H GLY A 151 -4.893 -3.142 -2.875 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.594 -3.483 0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.327 -2.144 -0.858 1.00 0.00 H new ATOM 443 N THR A 152 -6.877 -4.125 0.744 1.00 0.00 N ATOM 444 CA THR A 152 -8.160 -4.668 1.171 1.00 0.00 C ATOM 445 C THR A 152 -8.824 -3.745 2.189 1.00 0.00 C ATOM 446 O THR A 152 -9.620 -4.188 3.017 1.00 0.00 O ATOM 447 CB THR A 152 -7.970 -6.062 1.771 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.646 -6.226 2.247 1.00 0.00 O ATOM 449 CG2 THR A 152 -8.246 -7.179 0.788 1.00 0.00 C ATOM 0 H THR A 152 -6.192 -4.026 1.494 1.00 0.00 H new ATOM 0 HA THR A 152 -8.809 -4.743 0.298 1.00 0.00 H new ATOM 0 HB THR A 152 -8.693 -6.128 2.584 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.544 -7.123 2.629 1.00 0.00 H new ATOM 0 HG21 THR A 152 -8.093 -8.141 1.278 1.00 0.00 H new ATOM 0 HG22 THR A 152 -9.276 -7.110 0.438 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.568 -7.092 -0.061 1.00 0.00 H new ATOM 457 N GLY A 153 -8.485 -2.459 2.126 1.00 0.00 N ATOM 458 CA GLY A 153 -9.049 -1.495 3.054 1.00 0.00 C ATOM 459 C GLY A 153 -10.402 -0.975 2.612 1.00 0.00 C ATOM 460 O GLY A 153 -10.488 -0.098 1.753 1.00 0.00 O ATOM 0 H GLY A 153 -7.830 -2.068 1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.146 -1.957 4.036 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.361 -0.657 3.163 1.00 0.00 H new ATOM 464 N LYS A 154 -11.460 -1.513 3.212 1.00 0.00 N ATOM 465 CA LYS A 154 -12.822 -1.102 2.892 1.00 0.00 C ATOM 466 C LYS A 154 -13.130 -1.288 1.406 1.00 0.00 C ATOM 467 O LYS A 154 -13.730 -2.287 1.011 1.00 0.00 O ATOM 468 CB LYS A 154 -13.047 0.354 3.304 1.00 0.00 C ATOM 469 CG LYS A 154 -14.448 0.857 3.002 1.00 0.00 C ATOM 470 CD LYS A 154 -15.151 1.346 4.259 1.00 0.00 C ATOM 471 CE LYS A 154 -14.500 2.605 4.810 1.00 0.00 C ATOM 472 NZ LYS A 154 -14.380 2.564 6.293 1.00 0.00 N ATOM 0 H LYS A 154 -11.398 -2.239 3.926 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.504 -1.740 3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -12.855 0.455 4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -12.323 0.986 2.789 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -14.395 1.668 2.275 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -15.032 0.057 2.546 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -16.199 1.545 4.036 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -15.129 0.563 5.017 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -13.511 2.725 4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -15.087 3.475 4.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -13.931 3.440 6.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -15.326 2.475 6.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -13.798 1.748 6.572 1.00 0.00 H new ATOM 486 N ASN A 155 -12.725 -0.321 0.586 1.00 0.00 N ATOM 487 CA ASN A 155 -12.968 -0.384 -0.851 1.00 0.00 C ATOM 488 C ASN A 155 -11.755 -0.938 -1.592 1.00 0.00 C ATOM 489 O ASN A 155 -11.520 -0.602 -2.753 1.00 0.00 O ATOM 490 CB ASN A 155 -13.318 1.003 -1.391 1.00 0.00 C ATOM 491 CG ASN A 155 -14.742 1.408 -1.064 1.00 0.00 C ATOM 492 OD1 ASN A 155 -15.699 0.824 -1.573 1.00 0.00 O ATOM 493 ND2 ASN A 155 -14.890 2.415 -0.211 1.00 0.00 N ATOM 0 H ASN A 155 -12.227 0.515 0.893 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.808 -1.057 -1.019 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -12.629 1.737 -0.973 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.179 1.015 -2.472 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -15.825 2.733 0.046 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -14.069 2.871 0.187 1.00 0.00 H new ATOM 500 N GLY A 156 -10.989 -1.789 -0.916 1.00 0.00 N ATOM 501 CA GLY A 156 -9.814 -2.374 -1.533 1.00 0.00 C ATOM 502 C GLY A 156 -8.607 -1.456 -1.485 1.00 0.00 C ATOM 503 O GLY A 156 -7.713 -1.554 -2.325 1.00 0.00 O ATOM 0 H GLY A 156 -11.161 -2.083 0.046 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.573 -3.310 -1.030 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.038 -2.619 -2.571 1.00 0.00 H new ATOM 507 N ARG A 157 -8.579 -0.564 -0.501 1.00 0.00 N ATOM 508 CA ARG A 157 -7.470 0.370 -0.351 1.00 0.00 C ATOM 509 C ARG A 157 -6.290 -0.302 0.344 1.00 0.00 C ATOM 510 O ARG A 157 -6.471 -1.090 1.272 1.00 0.00 O ATOM 511 CB ARG A 157 -7.916 1.602 0.441 1.00 0.00 C ATOM 512 CG ARG A 157 -6.808 2.618 0.667 1.00 0.00 C ATOM 513 CD ARG A 157 -7.277 3.773 1.539 1.00 0.00 C ATOM 514 NE ARG A 157 -7.820 3.314 2.817 1.00 0.00 N ATOM 515 CZ ARG A 157 -9.096 2.982 3.007 1.00 0.00 C ATOM 516 NH1 ARG A 157 -9.967 3.046 2.007 1.00 0.00 N ATOM 517 NH2 ARG A 157 -9.502 2.580 4.204 1.00 0.00 N ATOM 0 H ARG A 157 -9.310 -0.468 0.203 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.152 0.686 -1.345 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.737 2.085 -0.088 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.305 1.281 1.407 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -5.955 2.129 1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.465 3.002 -0.293 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -6.443 4.450 1.723 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -8.038 4.343 1.006 1.00 0.00 H new ATOM 0 HE ARG A 157 -7.183 3.244 3.611 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -9.661 3.352 1.083 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -10.942 2.790 2.163 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -8.838 2.526 4.976 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -10.478 2.325 4.352 1.00 0.00 H new ATOM 531 N VAL A 158 -5.082 0.005 -0.119 1.00 0.00 N ATOM 532 CA VAL A 158 -3.876 -0.579 0.454 1.00 0.00 C ATOM 533 C VAL A 158 -3.549 0.040 1.806 1.00 0.00 C ATOM 534 O VAL A 158 -3.584 1.259 1.974 1.00 0.00 O ATOM 535 CB VAL A 158 -2.665 -0.424 -0.496 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.352 -0.645 0.242 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.778 -1.391 -1.662 1.00 0.00 C ATOM 0 H VAL A 158 -4.913 0.654 -0.888 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.075 -1.642 0.594 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.671 0.596 -0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.520 -0.529 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.258 0.086 1.045 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.336 -1.650 0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.918 -1.269 -2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.804 -2.414 -1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.693 -1.185 -2.218 1.00 0.00 H new ATOM 547 N LEU A 159 -3.221 -0.819 2.762 1.00 0.00 N ATOM 548 CA LEU A 159 -2.872 -0.382 4.105 1.00 0.00 C ATOM 549 C LEU A 159 -1.372 -0.527 4.331 1.00 0.00 C ATOM 550 O LEU A 159 -0.697 -1.241 3.592 1.00 0.00 O ATOM 551 CB LEU A 159 -3.637 -1.213 5.138 1.00 0.00 C ATOM 552 CG LEU A 159 -5.158 -1.029 5.132 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.766 -1.556 6.422 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.529 0.433 4.926 1.00 0.00 C ATOM 0 H LEU A 159 -3.190 -1.830 2.629 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.146 0.667 4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.415 -2.267 4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.262 -0.963 6.130 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.564 -1.603 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.847 -1.416 6.399 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.539 -2.617 6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.348 -1.013 7.270 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.614 0.536 4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.108 1.033 5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.131 0.778 3.972 1.00 0.00 H new ATOM 566 N LYS A 160 -0.846 0.138 5.354 1.00 0.00 N ATOM 567 CA LYS A 160 0.578 0.041 5.646 1.00 0.00 C ATOM 568 C LYS A 160 0.961 -1.419 5.844 1.00 0.00 C ATOM 569 O LYS A 160 2.058 -1.842 5.481 1.00 0.00 O ATOM 570 CB LYS A 160 0.944 0.857 6.886 1.00 0.00 C ATOM 571 CG LYS A 160 2.438 0.875 7.177 1.00 0.00 C ATOM 572 CD LYS A 160 2.948 2.291 7.396 1.00 0.00 C ATOM 573 CE LYS A 160 4.357 2.292 7.968 1.00 0.00 C ATOM 574 NZ LYS A 160 4.355 2.436 9.450 1.00 0.00 N ATOM 0 H LYS A 160 -1.375 0.740 5.985 1.00 0.00 H new ATOM 0 HA LYS A 160 1.133 0.450 4.801 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.594 1.881 6.754 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.418 0.449 7.749 1.00 0.00 H new ATOM 0 HG2 LYS A 160 2.644 0.272 8.061 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.977 0.418 6.347 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.937 2.833 6.451 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.278 2.820 8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.861 1.365 7.694 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.928 3.108 7.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 5.334 2.432 9.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 3.897 3.333 9.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 3.832 1.644 9.875 1.00 0.00 H new ATOM 588 N GLU A 161 0.030 -2.191 6.397 1.00 0.00 N ATOM 589 CA GLU A 161 0.251 -3.610 6.614 1.00 0.00 C ATOM 590 C GLU A 161 0.424 -4.298 5.264 1.00 0.00 C ATOM 591 O GLU A 161 1.233 -5.213 5.115 1.00 0.00 O ATOM 592 CB GLU A 161 -0.920 -4.218 7.406 1.00 0.00 C ATOM 593 CG GLU A 161 -1.541 -5.458 6.773 1.00 0.00 C ATOM 594 CD GLU A 161 -2.466 -6.194 7.723 1.00 0.00 C ATOM 595 OE1 GLU A 161 -3.668 -5.858 7.761 1.00 0.00 O ATOM 596 OE2 GLU A 161 -1.988 -7.108 8.429 1.00 0.00 O ATOM 0 H GLU A 161 -0.883 -1.854 6.702 1.00 0.00 H new ATOM 0 HA GLU A 161 1.156 -3.758 7.203 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -0.570 -4.474 8.406 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -1.694 -3.460 7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -2.097 -5.167 5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -0.748 -6.132 6.448 1.00 0.00 H new ATOM 603 N ASP A 162 -0.336 -3.826 4.277 1.00 0.00 N ATOM 604 CA ASP A 162 -0.260 -4.370 2.928 1.00 0.00 C ATOM 605 C ASP A 162 1.115 -4.095 2.335 1.00 0.00 C ATOM 606 O ASP A 162 1.761 -4.986 1.781 1.00 0.00 O ATOM 607 CB ASP A 162 -1.343 -3.752 2.044 1.00 0.00 C ATOM 608 CG ASP A 162 -2.663 -4.490 2.136 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.663 -5.730 1.979 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.697 -3.828 2.367 1.00 0.00 O ATOM 0 H ASP A 162 -1.010 -3.069 4.389 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.420 -5.447 2.975 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.492 -2.712 2.333 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -1.004 -3.750 1.008 1.00 0.00 H new ATOM 615 N ILE A 163 1.557 -2.849 2.470 1.00 0.00 N ATOM 616 CA ILE A 163 2.862 -2.429 1.968 1.00 0.00 C ATOM 617 C ILE A 163 3.963 -3.344 2.486 1.00 0.00 C ATOM 618 O ILE A 163 4.760 -3.878 1.712 1.00 0.00 O ATOM 619 CB ILE A 163 3.187 -0.982 2.396 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.059 -0.037 1.988 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.512 -0.525 1.796 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.796 -0.037 0.506 1.00 0.00 C ATOM 0 H ILE A 163 1.027 -2.107 2.926 1.00 0.00 H new ATOM 0 HA ILE A 163 2.817 -2.484 0.880 1.00 0.00 H new ATOM 0 HB ILE A 163 3.280 -0.960 3.482 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.147 -0.321 2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.308 0.975 2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.721 0.497 2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.312 -1.181 2.139 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.452 -0.564 0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.984 0.654 0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.696 0.276 -0.023 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.517 -1.041 0.186 1.00 0.00 H new ATOM 634 N ASP A 164 4.004 -3.520 3.802 1.00 0.00 N ATOM 635 CA ASP A 164 5.008 -4.367 4.430 1.00 0.00 C ATOM 636 C ASP A 164 4.940 -5.790 3.881 1.00 0.00 C ATOM 637 O ASP A 164 5.964 -6.392 3.557 1.00 0.00 O ATOM 638 CB ASP A 164 4.817 -4.383 5.947 1.00 0.00 C ATOM 639 CG ASP A 164 6.106 -4.677 6.690 1.00 0.00 C ATOM 640 OD1 ASP A 164 7.188 -4.374 6.144 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.034 -5.213 7.815 1.00 0.00 O ATOM 0 H ASP A 164 3.352 -3.086 4.455 1.00 0.00 H new ATOM 0 HA ASP A 164 5.990 -3.954 4.200 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.426 -3.419 6.271 1.00 0.00 H new ATOM 0 HB3 ASP A 164 4.071 -5.134 6.208 1.00 0.00 H new ATOM 646 N ALA A 165 3.724 -6.322 3.780 1.00 0.00 N ATOM 647 CA ALA A 165 3.520 -7.673 3.270 1.00 0.00 C ATOM 648 C ALA A 165 4.050 -7.809 1.848 1.00 0.00 C ATOM 649 O ALA A 165 4.605 -8.844 1.477 1.00 0.00 O ATOM 650 CB ALA A 165 2.044 -8.038 3.323 1.00 0.00 C ATOM 0 H ALA A 165 2.866 -5.837 4.045 1.00 0.00 H new ATOM 0 HA ALA A 165 4.077 -8.363 3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.905 -9.049 2.940 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.694 -7.990 4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.474 -7.337 2.713 1.00 0.00 H new ATOM 656 N TRP A 166 3.880 -6.755 1.057 1.00 0.00 N ATOM 657 CA TRP A 166 4.342 -6.745 -0.320 1.00 0.00 C ATOM 658 C TRP A 166 5.848 -6.960 -0.381 1.00 0.00 C ATOM 659 O TRP A 166 6.332 -7.891 -1.023 1.00 0.00 O ATOM 660 CB TRP A 166 3.981 -5.411 -0.965 1.00 0.00 C ATOM 661 CG TRP A 166 4.240 -5.365 -2.436 1.00 0.00 C ATOM 662 CD1 TRP A 166 3.455 -5.868 -3.431 1.00 0.00 C ATOM 663 CD2 TRP A 166 5.369 -4.774 -3.075 1.00 0.00 C ATOM 664 NE1 TRP A 166 4.035 -5.623 -4.652 1.00 0.00 N ATOM 665 CE2 TRP A 166 5.211 -4.955 -4.459 1.00 0.00 C ATOM 666 CE3 TRP A 166 6.496 -4.112 -2.606 1.00 0.00 C ATOM 667 CZ2 TRP A 166 6.144 -4.495 -5.381 1.00 0.00 C ATOM 668 CZ3 TRP A 166 7.425 -3.651 -3.520 1.00 0.00 C ATOM 669 CH2 TRP A 166 7.244 -3.845 -4.895 1.00 0.00 C ATOM 0 H TRP A 166 3.422 -5.893 1.352 1.00 0.00 H new ATOM 0 HA TRP A 166 3.857 -7.557 -0.862 1.00 0.00 H new ATOM 0 HB2 TRP A 166 2.926 -5.204 -0.784 1.00 0.00 H new ATOM 0 HB3 TRP A 166 4.549 -4.617 -0.480 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.517 -6.382 -3.281 1.00 0.00 H new ATOM 0 HE1 TRP A 166 3.650 -5.896 -5.556 1.00 0.00 H new ATOM 0 HE3 TRP A 166 6.644 -3.960 -1.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 6.005 -4.645 -6.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 8.305 -3.133 -3.168 1.00 0.00 H new ATOM 0 HH2 TRP A 166 7.988 -3.474 -5.585 1.00 0.00 H new ATOM 680 N LEU A 167 6.579 -6.087 0.302 1.00 0.00 N ATOM 681 CA LEU A 167 8.036 -6.166 0.344 1.00 0.00 C ATOM 682 C LEU A 167 8.496 -7.546 0.809 1.00 0.00 C ATOM 683 O LEU A 167 9.546 -8.035 0.391 1.00 0.00 O ATOM 684 CB LEU A 167 8.599 -5.090 1.273 1.00 0.00 C ATOM 685 CG LEU A 167 8.356 -3.650 0.812 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.791 -2.809 1.946 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.639 -3.031 0.271 1.00 0.00 C ATOM 0 H LEU A 167 6.185 -5.313 0.837 1.00 0.00 H new ATOM 0 HA LEU A 167 8.412 -5.999 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.160 -5.219 2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.673 -5.246 1.378 1.00 0.00 H new ATOM 0 HG LEU A 167 7.623 -3.672 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.626 -1.790 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.845 -3.236 2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.496 -2.798 2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.442 -2.008 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.398 -3.026 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 167 9.996 -3.616 -0.577 1.00 0.00 H new ATOM 699 N ALA A 168 7.705 -8.165 1.678 1.00 0.00 N ATOM 700 CA ALA A 168 8.030 -9.486 2.200 1.00 0.00 C ATOM 701 C ALA A 168 7.276 -10.576 1.446 1.00 0.00 C ATOM 702 O ALA A 168 6.943 -11.618 2.009 1.00 0.00 O ATOM 703 CB ALA A 168 7.714 -9.557 3.688 1.00 0.00 C ATOM 0 H ALA A 168 6.834 -7.773 2.036 1.00 0.00 H new ATOM 0 HA ALA A 168 9.097 -9.653 2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.961 -10.549 4.066 1.00 0.00 H new ATOM 0 HB2 ALA A 168 8.301 -8.809 4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.653 -9.364 3.844 1.00 0.00 H new ATOM 709 N GLY A 169 7.011 -10.327 0.167 1.00 0.00 N ATOM 710 CA GLY A 169 6.298 -11.297 -0.643 1.00 0.00 C ATOM 711 C GLY A 169 6.794 -11.333 -2.076 1.00 0.00 C ATOM 712 O GLY A 169 6.042 -11.665 -2.991 1.00 0.00 O ATOM 0 H GLY A 169 7.277 -9.472 -0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 169 6.407 -12.287 -0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 169 5.234 -11.060 -0.636 1.00 0.00 H new ATOM 716 N GLY A 170 8.063 -10.989 -2.269 1.00 0.00 N ATOM 717 CA GLY A 170 8.636 -10.991 -3.602 1.00 0.00 C ATOM 718 C GLY A 170 8.657 -9.610 -4.227 1.00 0.00 C ATOM 719 O GLY A 170 8.137 -9.460 -5.352 1.00 0.00 O ATOM 720 OXT GLY A 170 9.191 -8.677 -3.591 1.00 0.00 O ATOM 0 H GLY A 170 8.704 -10.709 -1.527 1.00 0.00 H new ATOM 0 HA2 GLY A 170 9.653 -11.381 -3.556 1.00 0.00 H new ATOM 0 HA3 GLY A 170 8.064 -11.666 -4.239 1.00 0.00 H new TER 724 GLY A 170