USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 666 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 GLN : amide:sc= -4.13! K(o=-3.5!,f=-1) USER MOD Set 1.2: A 66 THR OG1 : rot 107:sc= 0.601 USER MOD Set 2.1: A 56 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00506) USER MOD Set 2.2: A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0665 USER MOD Single : A 5 SER OG : rot 44:sc= 0.432 USER MOD Single : A 6 SER OG : rot 180:sc= -0.086 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0751 USER MOD Single : A 26 TYR OH : rot -9:sc= -0.154 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 147:sc= 0.273 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.584 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot -9:sc= -0.14 USER MOD Single : A 76 ASN : amide:sc= -0.0318 X(o=-0.032,f=-0.31) USER MOD Single : A 77 MET CE :methyl -163:sc= -0.0162 (180deg=-0.265) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl -153:sc= 0 (180deg=-0.655) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 31:sc= 0.371 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.377 5.810 3.971 1.00 0.00 N ATOM 2 CA GLY A 1 -33.961 4.537 3.590 1.00 0.00 C ATOM 3 C GLY A 1 -33.302 3.364 4.288 1.00 0.00 C ATOM 4 O GLY A 1 -33.904 2.730 5.153 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.862 6.579 3.467 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.483 5.947 4.996 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.367 5.817 3.723 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.025 4.544 3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.874 4.409 2.511 1.00 0.00 H new ATOM 8 N SER A 2 -32.061 3.074 3.910 1.00 0.00 N ATOM 9 CA SER A 2 -31.321 1.966 4.501 1.00 0.00 C ATOM 10 C SER A 2 -29.857 1.999 4.072 1.00 0.00 C ATOM 11 O SER A 2 -29.547 2.208 2.899 1.00 0.00 O ATOM 12 CB SER A 2 -31.952 0.631 4.099 1.00 0.00 C ATOM 13 OG SER A 2 -31.148 -0.459 4.516 1.00 0.00 O ATOM 0 H SER A 2 -31.547 3.591 3.197 1.00 0.00 H new ATOM 0 HA SER A 2 -31.366 2.069 5.585 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.944 0.546 4.543 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.083 0.598 3.017 1.00 0.00 H new ATOM 0 HG SER A 2 -31.574 -1.300 4.249 1.00 0.00 H new ATOM 19 N SER A 3 -28.961 1.793 5.032 1.00 0.00 N ATOM 20 CA SER A 3 -27.529 1.803 4.755 1.00 0.00 C ATOM 21 C SER A 3 -26.937 0.405 4.905 1.00 0.00 C ATOM 22 O SER A 3 -27.526 -0.466 5.543 1.00 0.00 O ATOM 23 CB SER A 3 -26.814 2.776 5.695 1.00 0.00 C ATOM 24 OG SER A 3 -25.413 2.751 5.485 1.00 0.00 O ATOM 0 H SER A 3 -29.201 1.617 6.008 1.00 0.00 H new ATOM 0 HA SER A 3 -27.385 2.131 3.726 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.191 3.786 5.534 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.034 2.515 6.730 1.00 0.00 H new ATOM 0 HG SER A 3 -24.979 3.382 6.096 1.00 0.00 H new ATOM 30 N GLY A 4 -25.766 0.199 4.311 1.00 0.00 N ATOM 31 CA GLY A 4 -25.112 -1.095 4.389 1.00 0.00 C ATOM 32 C GLY A 4 -24.321 -1.421 3.138 1.00 0.00 C ATOM 33 O GLY A 4 -24.379 -0.689 2.149 1.00 0.00 O ATOM 0 H GLY A 4 -25.258 0.904 3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.445 -1.110 5.251 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.862 -1.869 4.553 1.00 0.00 H new ATOM 37 N SER A 5 -23.577 -2.522 3.180 1.00 0.00 N ATOM 38 CA SER A 5 -22.767 -2.941 2.042 1.00 0.00 C ATOM 39 C SER A 5 -23.337 -4.204 1.404 1.00 0.00 C ATOM 40 O SER A 5 -23.153 -5.308 1.915 1.00 0.00 O ATOM 41 CB SER A 5 -21.322 -3.186 2.482 1.00 0.00 C ATOM 42 OG SER A 5 -21.267 -4.080 3.580 1.00 0.00 O ATOM 0 H SER A 5 -23.518 -3.140 3.990 1.00 0.00 H new ATOM 0 HA SER A 5 -22.784 -2.142 1.301 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.749 -3.593 1.649 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.857 -2.239 2.756 1.00 0.00 H new ATOM 0 HG SER A 5 -21.884 -4.825 3.426 1.00 0.00 H new ATOM 48 N SER A 6 -24.031 -4.031 0.283 1.00 0.00 N ATOM 49 CA SER A 6 -24.632 -5.156 -0.424 1.00 0.00 C ATOM 50 C SER A 6 -23.579 -6.202 -0.777 1.00 0.00 C ATOM 51 O SER A 6 -23.706 -7.372 -0.421 1.00 0.00 O ATOM 52 CB SER A 6 -25.331 -4.671 -1.695 1.00 0.00 C ATOM 53 OG SER A 6 -24.448 -3.917 -2.507 1.00 0.00 O ATOM 0 H SER A 6 -24.191 -3.124 -0.154 1.00 0.00 H new ATOM 0 HA SER A 6 -25.368 -5.616 0.235 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.705 -5.527 -2.257 1.00 0.00 H new ATOM 0 HB3 SER A 6 -26.195 -4.062 -1.429 1.00 0.00 H new ATOM 0 HG SER A 6 -24.918 -3.620 -3.314 1.00 0.00 H new ATOM 59 N GLY A 7 -22.536 -5.769 -1.480 1.00 0.00 N ATOM 60 CA GLY A 7 -21.476 -6.679 -1.870 1.00 0.00 C ATOM 61 C GLY A 7 -20.107 -6.029 -1.821 1.00 0.00 C ATOM 62 O GLY A 7 -19.675 -5.399 -2.787 1.00 0.00 O ATOM 0 H GLY A 7 -22.407 -4.805 -1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.486 -7.548 -1.211 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.666 -7.042 -2.880 1.00 0.00 H new ATOM 66 N THR A 8 -19.422 -6.181 -0.692 1.00 0.00 N ATOM 67 CA THR A 8 -18.095 -5.601 -0.520 1.00 0.00 C ATOM 68 C THR A 8 -17.133 -6.104 -1.589 1.00 0.00 C ATOM 69 O THR A 8 -16.539 -5.314 -2.324 1.00 0.00 O ATOM 70 CB THR A 8 -17.516 -5.927 0.870 1.00 0.00 C ATOM 71 OG1 THR A 8 -17.592 -7.336 1.114 1.00 0.00 O ATOM 72 CG2 THR A 8 -18.269 -5.178 1.959 1.00 0.00 C ATOM 0 H THR A 8 -19.764 -6.700 0.117 1.00 0.00 H new ATOM 0 HA THR A 8 -18.207 -4.521 -0.615 1.00 0.00 H new ATOM 0 HB THR A 8 -16.473 -5.611 0.888 1.00 0.00 H new ATOM 0 HG1 THR A 8 -17.220 -7.535 1.999 1.00 0.00 H new ATOM 0 HG21 THR A 8 -17.842 -5.424 2.931 1.00 0.00 H new ATOM 0 HG22 THR A 8 -18.185 -4.105 1.787 1.00 0.00 H new ATOM 0 HG23 THR A 8 -19.320 -5.468 1.940 1.00 0.00 H new ATOM 80 N ASP A 9 -16.983 -7.421 -1.672 1.00 0.00 N ATOM 81 CA ASP A 9 -16.092 -8.029 -2.654 1.00 0.00 C ATOM 82 C ASP A 9 -16.652 -7.872 -4.065 1.00 0.00 C ATOM 83 O ASP A 9 -17.861 -7.928 -4.289 1.00 0.00 O ATOM 84 CB ASP A 9 -15.884 -9.511 -2.336 1.00 0.00 C ATOM 85 CG ASP A 9 -17.182 -10.295 -2.352 1.00 0.00 C ATOM 86 OD1 ASP A 9 -17.975 -10.147 -1.400 1.00 0.00 O ATOM 87 OD2 ASP A 9 -17.403 -11.056 -3.317 1.00 0.00 O ATOM 0 H ASP A 9 -17.467 -8.088 -1.071 1.00 0.00 H new ATOM 0 HA ASP A 9 -15.131 -7.517 -2.604 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -15.194 -9.942 -3.061 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.417 -9.607 -1.356 1.00 0.00 H new ATOM 92 N PRO A 10 -15.752 -7.670 -5.039 1.00 0.00 N ATOM 93 CA PRO A 10 -16.132 -7.501 -6.445 1.00 0.00 C ATOM 94 C PRO A 10 -16.657 -8.792 -7.063 1.00 0.00 C ATOM 95 O PRO A 10 -17.692 -8.796 -7.729 1.00 0.00 O ATOM 96 CB PRO A 10 -14.823 -7.079 -7.117 1.00 0.00 C ATOM 97 CG PRO A 10 -13.752 -7.637 -6.245 1.00 0.00 C ATOM 98 CD PRO A 10 -14.295 -7.593 -4.843 1.00 0.00 C ATOM 0 HA PRO A 10 -16.941 -6.780 -6.565 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.753 -7.473 -8.131 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.748 -5.994 -7.191 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -13.504 -8.658 -6.536 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.837 -7.051 -6.328 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.926 -8.425 -4.243 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.007 -6.676 -4.329 1.00 0.00 H new ATOM 106 N GLY A 11 -15.938 -9.887 -6.837 1.00 0.00 N ATOM 107 CA GLY A 11 -16.348 -11.169 -7.379 1.00 0.00 C ATOM 108 C GLY A 11 -15.169 -12.023 -7.803 1.00 0.00 C ATOM 109 O GLY A 11 -15.099 -12.471 -8.947 1.00 0.00 O ATOM 0 H GLY A 11 -15.079 -9.909 -6.288 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -16.932 -11.706 -6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -17.001 -11.006 -8.236 1.00 0.00 H new ATOM 113 N ALA A 12 -14.240 -12.247 -6.879 1.00 0.00 N ATOM 114 CA ALA A 12 -13.060 -13.053 -7.164 1.00 0.00 C ATOM 115 C ALA A 12 -12.501 -13.677 -5.889 1.00 0.00 C ATOM 116 O ALA A 12 -13.031 -13.463 -4.799 1.00 0.00 O ATOM 117 CB ALA A 12 -11.997 -12.208 -7.850 1.00 0.00 C ATOM 0 H ALA A 12 -14.282 -11.882 -5.928 1.00 0.00 H new ATOM 0 HA ALA A 12 -13.355 -13.861 -7.834 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.121 -12.823 -8.057 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.393 -11.814 -8.786 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -11.714 -11.381 -7.199 1.00 0.00 H new ATOM 123 N GLU A 13 -11.429 -14.449 -6.034 1.00 0.00 N ATOM 124 CA GLU A 13 -10.800 -15.105 -4.894 1.00 0.00 C ATOM 125 C GLU A 13 -9.853 -14.151 -4.172 1.00 0.00 C ATOM 126 O GLU A 13 -8.743 -14.528 -3.797 1.00 0.00 O ATOM 127 CB GLU A 13 -10.037 -16.350 -5.350 1.00 0.00 C ATOM 128 CG GLU A 13 -8.908 -16.051 -6.321 1.00 0.00 C ATOM 129 CD GLU A 13 -8.219 -17.306 -6.820 1.00 0.00 C ATOM 130 OE1 GLU A 13 -7.812 -18.134 -5.977 1.00 0.00 O ATOM 131 OE2 GLU A 13 -8.085 -17.461 -8.051 1.00 0.00 O ATOM 0 H GLU A 13 -10.978 -14.636 -6.930 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.586 -15.404 -4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.628 -16.856 -4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.736 -17.042 -5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.303 -15.496 -7.172 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.175 -15.408 -5.833 1.00 0.00 H new ATOM 138 N GLU A 14 -10.300 -12.913 -3.982 1.00 0.00 N ATOM 139 CA GLU A 14 -9.492 -11.905 -3.306 1.00 0.00 C ATOM 140 C GLU A 14 -9.815 -11.857 -1.816 1.00 0.00 C ATOM 141 O GLU A 14 -10.976 -11.734 -1.424 1.00 0.00 O ATOM 142 CB GLU A 14 -9.724 -10.529 -3.934 1.00 0.00 C ATOM 143 CG GLU A 14 -8.784 -10.220 -5.087 1.00 0.00 C ATOM 144 CD GLU A 14 -8.941 -8.803 -5.604 1.00 0.00 C ATOM 145 OE1 GLU A 14 -9.971 -8.518 -6.249 1.00 0.00 O ATOM 146 OE2 GLU A 14 -8.034 -7.979 -5.363 1.00 0.00 O ATOM 0 H GLU A 14 -11.216 -12.585 -4.287 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.443 -12.179 -3.423 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.753 -10.470 -4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.607 -9.764 -3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.755 -10.372 -4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.969 -10.922 -5.900 1.00 0.00 H new ATOM 153 N LEU A 15 -8.780 -11.957 -0.989 1.00 0.00 N ATOM 154 CA LEU A 15 -8.953 -11.926 0.460 1.00 0.00 C ATOM 155 C LEU A 15 -9.322 -10.525 0.934 1.00 0.00 C ATOM 156 O LEU A 15 -9.051 -9.525 0.267 1.00 0.00 O ATOM 157 CB LEU A 15 -7.672 -12.392 1.155 1.00 0.00 C ATOM 158 CG LEU A 15 -7.512 -13.903 1.325 1.00 0.00 C ATOM 159 CD1 LEU A 15 -6.050 -14.265 1.533 1.00 0.00 C ATOM 160 CD2 LEU A 15 -8.357 -14.402 2.488 1.00 0.00 C ATOM 0 H LEU A 15 -7.813 -12.060 -1.296 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.767 -12.603 0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.819 -12.018 0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.628 -11.929 2.141 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.860 -14.390 0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.956 -15.344 1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.469 -13.943 0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.676 -13.767 2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.230 -15.479 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.040 -13.908 3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.406 -14.177 2.298 1.00 0.00 H new ATOM 172 N PRO A 16 -9.953 -10.446 2.115 1.00 0.00 N ATOM 173 CA PRO A 16 -10.371 -9.172 2.707 1.00 0.00 C ATOM 174 C PRO A 16 -9.186 -8.334 3.174 1.00 0.00 C ATOM 175 O PRO A 16 -8.431 -8.746 4.055 1.00 0.00 O ATOM 176 CB PRO A 16 -11.228 -9.599 3.901 1.00 0.00 C ATOM 177 CG PRO A 16 -10.730 -10.957 4.258 1.00 0.00 C ATOM 178 CD PRO A 16 -10.308 -11.596 2.964 1.00 0.00 C ATOM 0 HA PRO A 16 -10.899 -8.543 1.990 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.119 -8.905 4.735 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -12.286 -9.621 3.641 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.893 -10.895 4.954 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.509 -11.542 4.747 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.461 -12.268 3.105 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.113 -12.186 2.526 1.00 0.00 H new ATOM 186 N ALA A 17 -9.028 -7.156 2.579 1.00 0.00 N ATOM 187 CA ALA A 17 -7.936 -6.259 2.937 1.00 0.00 C ATOM 188 C ALA A 17 -8.464 -4.891 3.356 1.00 0.00 C ATOM 189 O ALA A 17 -9.114 -4.200 2.571 1.00 0.00 O ATOM 190 CB ALA A 17 -6.966 -6.119 1.773 1.00 0.00 C ATOM 0 H ALA A 17 -9.643 -6.801 1.847 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.407 -6.691 3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.155 -5.446 2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.556 -7.097 1.522 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.491 -5.713 0.908 1.00 0.00 H new ATOM 196 N ARG A 18 -8.181 -4.508 4.596 1.00 0.00 N ATOM 197 CA ARG A 18 -8.629 -3.223 5.119 1.00 0.00 C ATOM 198 C ARG A 18 -8.270 -2.091 4.162 1.00 0.00 C ATOM 199 O ARG A 18 -7.095 -1.855 3.876 1.00 0.00 O ATOM 200 CB ARG A 18 -8.006 -2.962 6.492 1.00 0.00 C ATOM 201 CG ARG A 18 -8.821 -3.519 7.647 1.00 0.00 C ATOM 202 CD ARG A 18 -7.935 -3.894 8.825 1.00 0.00 C ATOM 203 NE ARG A 18 -8.653 -3.822 10.094 1.00 0.00 N ATOM 204 CZ ARG A 18 -8.184 -4.321 11.233 1.00 0.00 C ATOM 205 NH1 ARG A 18 -7.004 -4.924 11.260 1.00 0.00 N ATOM 206 NH2 ARG A 18 -8.897 -4.217 12.347 1.00 0.00 N ATOM 0 H ARG A 18 -7.644 -5.069 5.257 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.714 -3.259 5.221 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.008 -3.400 6.518 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.886 -1.887 6.628 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.556 -2.780 7.964 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.375 -4.396 7.313 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.551 -4.904 8.683 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.074 -3.227 8.858 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.564 -3.364 10.107 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.453 -5.006 10.405 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.646 -5.306 12.136 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.806 -3.754 12.330 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.537 -4.600 13.221 1.00 0.00 H new ATOM 220 N ILE A 19 -9.288 -1.394 3.669 1.00 0.00 N ATOM 221 CA ILE A 19 -9.079 -0.287 2.744 1.00 0.00 C ATOM 222 C ILE A 19 -8.886 1.027 3.494 1.00 0.00 C ATOM 223 O ILE A 19 -9.800 1.514 4.161 1.00 0.00 O ATOM 224 CB ILE A 19 -10.260 -0.138 1.767 1.00 0.00 C ATOM 225 CG1 ILE A 19 -10.557 -1.476 1.085 1.00 0.00 C ATOM 226 CG2 ILE A 19 -9.959 0.935 0.731 1.00 0.00 C ATOM 227 CD1 ILE A 19 -9.590 -1.815 -0.028 1.00 0.00 C ATOM 0 H ILE A 19 -10.266 -1.576 3.895 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.176 -0.516 2.178 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.142 0.166 2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.531 -2.269 1.832 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.569 -1.452 0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.803 1.028 0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.791 1.888 1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.067 0.658 0.169 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.861 -2.776 -0.465 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.633 -1.042 -0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.578 -1.872 0.374 1.00 0.00 H new ATOM 239 N PHE A 20 -7.692 1.598 3.379 1.00 0.00 N ATOM 240 CA PHE A 20 -7.379 2.857 4.046 1.00 0.00 C ATOM 241 C PHE A 20 -7.016 3.935 3.029 1.00 0.00 C ATOM 242 O PHE A 20 -6.155 3.733 2.173 1.00 0.00 O ATOM 243 CB PHE A 20 -6.226 2.663 5.033 1.00 0.00 C ATOM 244 CG PHE A 20 -6.667 2.166 6.380 1.00 0.00 C ATOM 245 CD1 PHE A 20 -7.418 1.007 6.494 1.00 0.00 C ATOM 246 CD2 PHE A 20 -6.332 2.859 7.532 1.00 0.00 C ATOM 247 CE1 PHE A 20 -7.825 0.547 7.732 1.00 0.00 C ATOM 248 CE2 PHE A 20 -6.736 2.403 8.773 1.00 0.00 C ATOM 249 CZ PHE A 20 -7.484 1.246 8.873 1.00 0.00 C ATOM 0 H PHE A 20 -6.925 1.209 2.830 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.265 3.180 4.592 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.511 1.957 4.610 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.702 3.611 5.158 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.688 0.457 5.605 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.749 3.765 7.460 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.409 -0.358 7.807 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.467 2.951 9.664 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.801 0.889 9.842 1.00 0.00 H new ATOM 259 N VAL A 21 -7.682 5.082 3.129 1.00 0.00 N ATOM 260 CA VAL A 21 -7.431 6.193 2.219 1.00 0.00 C ATOM 261 C VAL A 21 -6.492 7.217 2.848 1.00 0.00 C ATOM 262 O VAL A 21 -6.554 7.476 4.049 1.00 0.00 O ATOM 263 CB VAL A 21 -8.741 6.895 1.815 1.00 0.00 C ATOM 264 CG1 VAL A 21 -9.178 7.872 2.895 1.00 0.00 C ATOM 265 CG2 VAL A 21 -8.575 7.603 0.479 1.00 0.00 C ATOM 0 H VAL A 21 -8.399 5.265 3.831 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.963 5.773 1.329 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.519 6.140 1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.105 8.358 2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.339 7.334 3.829 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.403 8.625 3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.510 8.094 0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.784 8.348 0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.312 6.875 -0.288 1.00 0.00 H new ATOM 275 N ALA A 22 -5.622 7.796 2.027 1.00 0.00 N ATOM 276 CA ALA A 22 -4.671 8.794 2.502 1.00 0.00 C ATOM 277 C ALA A 22 -5.349 10.144 2.706 1.00 0.00 C ATOM 278 O ALA A 22 -6.048 10.640 1.821 1.00 0.00 O ATOM 279 CB ALA A 22 -3.512 8.925 1.525 1.00 0.00 C ATOM 0 H ALA A 22 -5.556 7.591 1.030 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.284 8.462 3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.810 9.673 1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.004 7.965 1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.891 9.231 0.550 1.00 0.00 H new ATOM 285 N LEU A 23 -5.138 10.736 3.876 1.00 0.00 N ATOM 286 CA LEU A 23 -5.729 12.030 4.197 1.00 0.00 C ATOM 287 C LEU A 23 -4.828 13.170 3.733 1.00 0.00 C ATOM 288 O LEU A 23 -5.301 14.268 3.437 1.00 0.00 O ATOM 289 CB LEU A 23 -5.977 12.141 5.703 1.00 0.00 C ATOM 290 CG LEU A 23 -6.870 11.062 6.317 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.971 11.247 7.823 1.00 0.00 C ATOM 292 CD2 LEU A 23 -8.251 11.087 5.680 1.00 0.00 C ATOM 0 H LEU A 23 -4.562 10.340 4.619 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.681 12.107 3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.013 12.120 6.212 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.424 13.114 5.907 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.420 10.089 6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.610 10.470 8.243 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.977 11.178 8.266 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.398 12.226 8.042 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.873 10.313 6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.710 12.062 5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.161 10.904 4.609 1.00 0.00 H new ATOM 304 N PHE A 24 -3.528 12.902 3.671 1.00 0.00 N ATOM 305 CA PHE A 24 -2.561 13.905 3.242 1.00 0.00 C ATOM 306 C PHE A 24 -1.359 13.249 2.568 1.00 0.00 C ATOM 307 O PHE A 24 -0.864 12.218 3.025 1.00 0.00 O ATOM 308 CB PHE A 24 -2.096 14.741 4.436 1.00 0.00 C ATOM 309 CG PHE A 24 -3.185 15.020 5.432 1.00 0.00 C ATOM 310 CD1 PHE A 24 -3.995 16.136 5.299 1.00 0.00 C ATOM 311 CD2 PHE A 24 -3.399 14.166 6.502 1.00 0.00 C ATOM 312 CE1 PHE A 24 -4.999 16.395 6.213 1.00 0.00 C ATOM 313 CE2 PHE A 24 -4.401 14.420 7.420 1.00 0.00 C ATOM 314 CZ PHE A 24 -5.201 15.536 7.276 1.00 0.00 C ATOM 0 H PHE A 24 -3.120 11.999 3.912 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.050 14.558 2.519 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.280 14.221 4.938 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.695 15.687 4.073 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.840 16.812 4.471 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.776 13.292 6.620 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.625 17.268 6.096 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.558 13.746 8.249 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.983 15.737 7.993 1.00 0.00 H new ATOM 324 N ASP A 25 -0.895 13.853 1.480 1.00 0.00 N ATOM 325 CA ASP A 25 0.248 13.328 0.742 1.00 0.00 C ATOM 326 C ASP A 25 1.307 12.786 1.697 1.00 0.00 C ATOM 327 O ASP A 25 1.426 13.243 2.834 1.00 0.00 O ATOM 328 CB ASP A 25 0.853 14.417 -0.145 1.00 0.00 C ATOM 329 CG ASP A 25 2.243 14.060 -0.634 1.00 0.00 C ATOM 330 OD1 ASP A 25 2.448 12.898 -1.042 1.00 0.00 O ATOM 331 OD2 ASP A 25 3.126 14.943 -0.608 1.00 0.00 O ATOM 0 H ASP A 25 -1.293 14.707 1.089 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.101 12.510 0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.202 14.586 -1.003 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.896 15.353 0.412 1.00 0.00 H new ATOM 336 N TYR A 26 2.074 11.808 1.227 1.00 0.00 N ATOM 337 CA TYR A 26 3.121 11.200 2.040 1.00 0.00 C ATOM 338 C TYR A 26 4.383 10.964 1.216 1.00 0.00 C ATOM 339 O TYR A 26 4.417 10.092 0.347 1.00 0.00 O ATOM 340 CB TYR A 26 2.632 9.878 2.634 1.00 0.00 C ATOM 341 CG TYR A 26 3.699 9.124 3.395 1.00 0.00 C ATOM 342 CD1 TYR A 26 4.672 9.801 4.120 1.00 0.00 C ATOM 343 CD2 TYR A 26 3.733 7.735 3.391 1.00 0.00 C ATOM 344 CE1 TYR A 26 5.649 9.117 4.816 1.00 0.00 C ATOM 345 CE2 TYR A 26 4.706 7.043 4.086 1.00 0.00 C ATOM 346 CZ TYR A 26 5.662 7.738 4.797 1.00 0.00 C ATOM 347 OH TYR A 26 6.633 7.053 5.490 1.00 0.00 O ATOM 0 H TYR A 26 1.990 11.420 0.288 1.00 0.00 H new ATOM 0 HA TYR A 26 3.361 11.888 2.851 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.794 10.077 3.302 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.256 9.245 1.830 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.664 10.881 4.139 1.00 0.00 H new ATOM 0 HD2 TYR A 26 2.986 7.187 2.835 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.399 9.659 5.372 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.718 5.963 4.073 1.00 0.00 H new ATOM 0 HH TYR A 26 7.308 7.684 5.817 1.00 0.00 H new ATOM 357 N ASP A 27 5.418 11.748 1.495 1.00 0.00 N ATOM 358 CA ASP A 27 6.684 11.625 0.781 1.00 0.00 C ATOM 359 C ASP A 27 7.822 11.301 1.745 1.00 0.00 C ATOM 360 O ASP A 27 8.371 12.177 2.413 1.00 0.00 O ATOM 361 CB ASP A 27 6.994 12.916 0.023 1.00 0.00 C ATOM 362 CG ASP A 27 6.159 13.065 -1.233 1.00 0.00 C ATOM 363 OD1 ASP A 27 6.515 12.447 -2.259 1.00 0.00 O ATOM 364 OD2 ASP A 27 5.149 13.799 -1.191 1.00 0.00 O ATOM 0 H ASP A 27 5.406 12.475 2.210 1.00 0.00 H new ATOM 0 HA ASP A 27 6.592 10.807 0.067 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.816 13.770 0.677 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.051 12.933 -0.243 1.00 0.00 H new ATOM 369 N PRO A 28 8.185 10.012 1.820 1.00 0.00 N ATOM 370 CA PRO A 28 9.260 9.542 2.699 1.00 0.00 C ATOM 371 C PRO A 28 10.635 10.004 2.231 1.00 0.00 C ATOM 372 O PRO A 28 11.494 10.352 3.042 1.00 0.00 O ATOM 373 CB PRO A 28 9.149 8.018 2.612 1.00 0.00 C ATOM 374 CG PRO A 28 8.508 7.759 1.292 1.00 0.00 C ATOM 375 CD PRO A 28 7.574 8.913 1.052 1.00 0.00 C ATOM 0 HA PRO A 28 9.159 9.933 3.711 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.129 7.546 2.675 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.549 7.618 3.429 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.256 7.691 0.502 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.966 6.813 1.300 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.500 9.156 -0.008 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.565 8.692 1.400 1.00 0.00 H new ATOM 383 N LEU A 29 10.839 10.004 0.918 1.00 0.00 N ATOM 384 CA LEU A 29 12.111 10.424 0.341 1.00 0.00 C ATOM 385 C LEU A 29 12.573 11.746 0.944 1.00 0.00 C ATOM 386 O LEU A 29 13.751 12.097 0.873 1.00 0.00 O ATOM 387 CB LEU A 29 11.985 10.559 -1.178 1.00 0.00 C ATOM 388 CG LEU A 29 11.885 9.250 -1.962 1.00 0.00 C ATOM 389 CD1 LEU A 29 10.444 8.768 -2.015 1.00 0.00 C ATOM 390 CD2 LEU A 29 12.443 9.427 -3.367 1.00 0.00 C ATOM 0 H LEU A 29 10.140 9.718 0.233 1.00 0.00 H new ATOM 0 HA LEU A 29 12.855 9.662 0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.102 11.159 -1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.847 11.115 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 29 12.480 8.494 -1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 29 10.393 7.835 -2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.078 8.602 -1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.826 9.521 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.364 8.486 -3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.875 10.197 -3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 29 13.490 9.725 -3.308 1.00 0.00 H new ATOM 402 N THR A 30 11.636 12.478 1.540 1.00 0.00 N ATOM 403 CA THR A 30 11.946 13.761 2.157 1.00 0.00 C ATOM 404 C THR A 30 11.539 13.778 3.626 1.00 0.00 C ATOM 405 O THR A 30 12.314 14.187 4.490 1.00 0.00 O ATOM 406 CB THR A 30 11.242 14.920 1.427 1.00 0.00 C ATOM 407 OG1 THR A 30 9.874 15.002 1.843 1.00 0.00 O ATOM 408 CG2 THR A 30 11.308 14.730 -0.081 1.00 0.00 C ATOM 0 H THR A 30 10.656 12.203 1.608 1.00 0.00 H new ATOM 0 HA THR A 30 13.025 13.896 2.081 1.00 0.00 H new ATOM 0 HB THR A 30 11.756 15.847 1.683 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.434 15.742 1.376 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.804 15.561 -0.575 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.350 14.697 -0.398 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.817 13.795 -0.352 1.00 0.00 H new ATOM 416 N MET A 31 10.318 13.331 3.901 1.00 0.00 N ATOM 417 CA MET A 31 9.809 13.294 5.268 1.00 0.00 C ATOM 418 C MET A 31 10.622 12.329 6.125 1.00 0.00 C ATOM 419 O MET A 31 10.976 12.641 7.262 1.00 0.00 O ATOM 420 CB MET A 31 8.335 12.882 5.274 1.00 0.00 C ATOM 421 CG MET A 31 7.411 13.922 4.662 1.00 0.00 C ATOM 422 SD MET A 31 5.725 13.809 5.291 1.00 0.00 S ATOM 423 CE MET A 31 4.857 14.856 4.125 1.00 0.00 C ATOM 0 H MET A 31 9.663 12.990 3.197 1.00 0.00 H new ATOM 0 HA MET A 31 9.902 14.294 5.691 1.00 0.00 H new ATOM 0 HB2 MET A 31 8.226 11.945 4.728 1.00 0.00 H new ATOM 0 HB3 MET A 31 8.024 12.691 6.301 1.00 0.00 H new ATOM 0 HG2 MET A 31 7.805 14.918 4.866 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.400 13.800 3.579 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.798 14.887 4.382 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.270 15.864 4.164 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.974 14.455 3.118 1.00 0.00 H new ATOM 433 N SER A 32 10.915 11.157 5.572 1.00 0.00 N ATOM 434 CA SER A 32 11.684 10.145 6.288 1.00 0.00 C ATOM 435 C SER A 32 13.104 10.632 6.558 1.00 0.00 C ATOM 436 O SER A 32 13.723 11.307 5.736 1.00 0.00 O ATOM 437 CB SER A 32 11.723 8.842 5.486 1.00 0.00 C ATOM 438 OG SER A 32 12.275 7.787 6.254 1.00 0.00 O ATOM 0 H SER A 32 10.632 10.884 4.631 1.00 0.00 H new ATOM 0 HA SER A 32 11.194 9.961 7.244 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.715 8.576 5.169 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.314 8.986 4.582 1.00 0.00 H new ATOM 0 HG SER A 32 11.851 6.941 6.000 1.00 0.00 H new ATOM 444 N PRO A 33 13.633 10.282 7.740 1.00 0.00 N ATOM 445 CA PRO A 33 14.986 10.672 8.148 1.00 0.00 C ATOM 446 C PRO A 33 16.064 9.955 7.342 1.00 0.00 C ATOM 447 O PRO A 33 16.999 10.580 6.845 1.00 0.00 O ATOM 448 CB PRO A 33 15.049 10.251 9.618 1.00 0.00 C ATOM 449 CG PRO A 33 14.052 9.150 9.740 1.00 0.00 C ATOM 450 CD PRO A 33 12.952 9.479 8.769 1.00 0.00 C ATOM 0 HA PRO A 33 15.170 11.734 7.987 1.00 0.00 H new ATOM 0 HB2 PRO A 33 16.049 9.912 9.890 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.804 11.082 10.279 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.504 8.186 9.506 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.667 9.083 10.758 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.507 8.578 8.346 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.148 10.038 9.247 1.00 0.00 H new ATOM 458 N ASN A 34 15.926 8.639 7.218 1.00 0.00 N ATOM 459 CA ASN A 34 16.888 7.836 6.472 1.00 0.00 C ATOM 460 C ASN A 34 16.496 7.745 5.000 1.00 0.00 C ATOM 461 O ASN A 34 15.400 7.307 4.650 1.00 0.00 O ATOM 462 CB ASN A 34 16.988 6.433 7.072 1.00 0.00 C ATOM 463 CG ASN A 34 18.074 6.330 8.125 1.00 0.00 C ATOM 464 OD1 ASN A 34 18.199 7.197 8.991 1.00 0.00 O ATOM 465 ND2 ASN A 34 18.867 5.267 8.055 1.00 0.00 N ATOM 0 H ASN A 34 15.157 8.106 7.625 1.00 0.00 H new ATOM 0 HA ASN A 34 17.861 8.323 6.541 1.00 0.00 H new ATOM 0 HB2 ASN A 34 16.030 6.161 7.515 1.00 0.00 H new ATOM 0 HB3 ASN A 34 17.187 5.714 6.277 1.00 0.00 H new ATOM 0 HD21 ASN A 34 19.616 5.144 8.736 1.00 0.00 H new ATOM 0 HD22 ASN A 34 18.727 4.574 7.320 1.00 0.00 H new ATOM 472 N PRO A 35 17.412 8.169 4.116 1.00 0.00 N ATOM 473 CA PRO A 35 17.186 8.144 2.668 1.00 0.00 C ATOM 474 C PRO A 35 17.160 6.725 2.110 1.00 0.00 C ATOM 475 O PRO A 35 16.594 6.478 1.045 1.00 0.00 O ATOM 476 CB PRO A 35 18.382 8.917 2.109 1.00 0.00 C ATOM 477 CG PRO A 35 19.448 8.762 3.138 1.00 0.00 C ATOM 478 CD PRO A 35 18.739 8.704 4.463 1.00 0.00 C ATOM 0 HA PRO A 35 16.221 8.573 2.398 1.00 0.00 H new ATOM 0 HB2 PRO A 35 18.699 8.514 1.147 1.00 0.00 H new ATOM 0 HB3 PRO A 35 18.135 9.967 1.950 1.00 0.00 H new ATOM 0 HG2 PRO A 35 20.028 7.855 2.966 1.00 0.00 H new ATOM 0 HG3 PRO A 35 20.146 9.598 3.105 1.00 0.00 H new ATOM 0 HD2 PRO A 35 19.260 8.059 5.170 1.00 0.00 H new ATOM 0 HD3 PRO A 35 18.667 9.689 4.924 1.00 0.00 H new ATOM 486 N ASP A 36 17.775 5.798 2.835 1.00 0.00 N ATOM 487 CA ASP A 36 17.821 4.403 2.413 1.00 0.00 C ATOM 488 C ASP A 36 16.642 3.623 2.984 1.00 0.00 C ATOM 489 O ASP A 36 16.089 2.742 2.326 1.00 0.00 O ATOM 490 CB ASP A 36 19.136 3.758 2.852 1.00 0.00 C ATOM 491 CG ASP A 36 19.577 2.648 1.918 1.00 0.00 C ATOM 492 OD1 ASP A 36 19.760 2.923 0.714 1.00 0.00 O ATOM 493 OD2 ASP A 36 19.738 1.503 2.392 1.00 0.00 O ATOM 0 H ASP A 36 18.249 5.987 3.718 1.00 0.00 H new ATOM 0 HA ASP A 36 17.758 4.376 1.325 1.00 0.00 H new ATOM 0 HB2 ASP A 36 19.914 4.520 2.898 1.00 0.00 H new ATOM 0 HB3 ASP A 36 19.022 3.357 3.859 1.00 0.00 H new ATOM 498 N ALA A 37 16.262 3.951 4.215 1.00 0.00 N ATOM 499 CA ALA A 37 15.148 3.282 4.875 1.00 0.00 C ATOM 500 C ALA A 37 13.823 3.634 4.207 1.00 0.00 C ATOM 501 O ALA A 37 12.907 2.814 4.154 1.00 0.00 O ATOM 502 CB ALA A 37 15.111 3.650 6.351 1.00 0.00 C ATOM 0 H ALA A 37 16.710 4.676 4.775 1.00 0.00 H new ATOM 0 HA ALA A 37 15.297 2.206 4.784 1.00 0.00 H new ATOM 0 HB1 ALA A 37 14.274 3.143 6.831 1.00 0.00 H new ATOM 0 HB2 ALA A 37 16.043 3.342 6.826 1.00 0.00 H new ATOM 0 HB3 ALA A 37 14.990 4.728 6.454 1.00 0.00 H new ATOM 508 N ALA A 38 13.728 4.858 3.700 1.00 0.00 N ATOM 509 CA ALA A 38 12.515 5.318 3.034 1.00 0.00 C ATOM 510 C ALA A 38 11.891 4.204 2.201 1.00 0.00 C ATOM 511 O ALA A 38 10.678 3.996 2.235 1.00 0.00 O ATOM 512 CB ALA A 38 12.817 6.526 2.161 1.00 0.00 C ATOM 0 H ALA A 38 14.477 5.550 3.737 1.00 0.00 H new ATOM 0 HA ALA A 38 11.797 5.609 3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.902 6.858 1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.210 7.333 2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.555 6.254 1.407 1.00 0.00 H new ATOM 518 N GLU A 39 12.727 3.491 1.452 1.00 0.00 N ATOM 519 CA GLU A 39 12.255 2.399 0.609 1.00 0.00 C ATOM 520 C GLU A 39 11.216 1.556 1.342 1.00 0.00 C ATOM 521 O GLU A 39 10.173 1.215 0.784 1.00 0.00 O ATOM 522 CB GLU A 39 13.428 1.518 0.173 1.00 0.00 C ATOM 523 CG GLU A 39 14.196 2.071 -1.015 1.00 0.00 C ATOM 524 CD GLU A 39 14.817 0.981 -1.867 1.00 0.00 C ATOM 525 OE1 GLU A 39 15.431 0.057 -1.294 1.00 0.00 O ATOM 526 OE2 GLU A 39 14.687 1.052 -3.107 1.00 0.00 O ATOM 0 H GLU A 39 13.734 3.650 1.412 1.00 0.00 H new ATOM 0 HA GLU A 39 11.787 2.832 -0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.112 1.397 1.013 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.053 0.526 -0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.524 2.670 -1.630 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.980 2.738 -0.657 1.00 0.00 H new ATOM 533 N GLU A 40 11.510 1.222 2.594 1.00 0.00 N ATOM 534 CA GLU A 40 10.601 0.417 3.403 1.00 0.00 C ATOM 535 C GLU A 40 9.241 1.096 3.532 1.00 0.00 C ATOM 536 O GLU A 40 8.206 0.432 3.568 1.00 0.00 O ATOM 537 CB GLU A 40 11.197 0.175 4.791 1.00 0.00 C ATOM 538 CG GLU A 40 12.608 -0.386 4.759 1.00 0.00 C ATOM 539 CD GLU A 40 12.952 -1.172 6.009 1.00 0.00 C ATOM 540 OE1 GLU A 40 12.029 -1.748 6.621 1.00 0.00 O ATOM 541 OE2 GLU A 40 14.146 -1.210 6.376 1.00 0.00 O ATOM 0 H GLU A 40 12.369 1.496 3.070 1.00 0.00 H new ATOM 0 HA GLU A 40 10.463 -0.542 2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.201 1.114 5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.554 -0.514 5.338 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.719 -1.031 3.887 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.318 0.433 4.642 1.00 0.00 H new ATOM 548 N GLU A 41 9.253 2.424 3.601 1.00 0.00 N ATOM 549 CA GLU A 41 8.020 3.192 3.727 1.00 0.00 C ATOM 550 C GLU A 41 7.263 3.228 2.403 1.00 0.00 C ATOM 551 O GLU A 41 7.862 3.369 1.336 1.00 0.00 O ATOM 552 CB GLU A 41 8.328 4.618 4.190 1.00 0.00 C ATOM 553 CG GLU A 41 8.727 4.710 5.653 1.00 0.00 C ATOM 554 CD GLU A 41 9.431 6.012 5.985 1.00 0.00 C ATOM 555 OE1 GLU A 41 10.333 6.412 5.219 1.00 0.00 O ATOM 556 OE2 GLU A 41 9.078 6.632 7.010 1.00 0.00 O ATOM 0 H GLU A 41 10.102 2.989 3.572 1.00 0.00 H new ATOM 0 HA GLU A 41 7.391 2.703 4.471 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.132 5.024 3.577 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.451 5.243 4.021 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.837 4.613 6.275 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.381 3.874 5.901 1.00 0.00 H new ATOM 563 N LEU A 42 5.943 3.098 2.480 1.00 0.00 N ATOM 564 CA LEU A 42 5.102 3.115 1.288 1.00 0.00 C ATOM 565 C LEU A 42 4.495 4.497 1.069 1.00 0.00 C ATOM 566 O LEU A 42 3.544 4.898 1.740 1.00 0.00 O ATOM 567 CB LEU A 42 3.991 2.071 1.409 1.00 0.00 C ATOM 568 CG LEU A 42 3.518 1.438 0.100 1.00 0.00 C ATOM 569 CD1 LEU A 42 2.326 0.527 0.347 1.00 0.00 C ATOM 570 CD2 LEU A 42 3.166 2.515 -0.916 1.00 0.00 C ATOM 0 H LEU A 42 5.432 2.980 3.355 1.00 0.00 H new ATOM 0 HA LEU A 42 5.728 2.873 0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.338 1.276 2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.133 2.537 1.894 1.00 0.00 H new ATOM 0 HG LEU A 42 4.332 0.836 -0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.004 0.086 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.611 -0.265 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.508 1.106 0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.831 2.047 -1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.369 3.144 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.045 3.127 -1.116 1.00 0.00 H new ATOM 582 N PRO A 43 5.056 5.243 0.105 1.00 0.00 N ATOM 583 CA PRO A 43 4.584 6.591 -0.227 1.00 0.00 C ATOM 584 C PRO A 43 3.215 6.577 -0.898 1.00 0.00 C ATOM 585 O PRO A 43 2.893 5.662 -1.656 1.00 0.00 O ATOM 586 CB PRO A 43 5.649 7.111 -1.195 1.00 0.00 C ATOM 587 CG PRO A 43 6.239 5.886 -1.803 1.00 0.00 C ATOM 588 CD PRO A 43 6.192 4.829 -0.734 1.00 0.00 C ATOM 0 HA PRO A 43 4.458 7.209 0.662 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.211 7.758 -1.955 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.405 7.698 -0.674 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.675 5.577 -2.683 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.263 6.067 -2.129 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.038 3.836 -1.157 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.120 4.792 -0.164 1.00 0.00 H new ATOM 596 N PHE A 44 2.412 7.597 -0.615 1.00 0.00 N ATOM 597 CA PHE A 44 1.076 7.702 -1.191 1.00 0.00 C ATOM 598 C PHE A 44 0.568 9.139 -1.129 1.00 0.00 C ATOM 599 O PHE A 44 0.896 9.887 -0.208 1.00 0.00 O ATOM 600 CB PHE A 44 0.107 6.774 -0.457 1.00 0.00 C ATOM 601 CG PHE A 44 0.191 6.881 1.039 1.00 0.00 C ATOM 602 CD1 PHE A 44 -0.390 7.949 1.704 1.00 0.00 C ATOM 603 CD2 PHE A 44 0.852 5.915 1.780 1.00 0.00 C ATOM 604 CE1 PHE A 44 -0.313 8.050 3.080 1.00 0.00 C ATOM 605 CE2 PHE A 44 0.932 6.011 3.157 1.00 0.00 C ATOM 606 CZ PHE A 44 0.348 7.080 3.808 1.00 0.00 C ATOM 0 H PHE A 44 2.663 8.363 0.010 1.00 0.00 H new ATOM 0 HA PHE A 44 1.134 7.401 -2.237 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.911 7.002 -0.773 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.309 5.744 -0.751 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.909 8.711 1.141 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.310 5.077 1.276 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.770 8.888 3.586 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.450 5.251 3.723 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.408 7.157 4.884 1.00 0.00 H new ATOM 616 N LYS A 45 -0.235 9.520 -2.118 1.00 0.00 N ATOM 617 CA LYS A 45 -0.790 10.866 -2.177 1.00 0.00 C ATOM 618 C LYS A 45 -2.185 10.907 -1.561 1.00 0.00 C ATOM 619 O LYS A 45 -2.781 9.868 -1.282 1.00 0.00 O ATOM 620 CB LYS A 45 -0.847 11.353 -3.627 1.00 0.00 C ATOM 621 CG LYS A 45 0.469 11.919 -4.131 1.00 0.00 C ATOM 622 CD LYS A 45 0.642 13.373 -3.726 1.00 0.00 C ATOM 623 CE LYS A 45 1.950 13.946 -4.249 1.00 0.00 C ATOM 624 NZ LYS A 45 1.880 14.248 -5.706 1.00 0.00 N ATOM 0 H LYS A 45 -0.515 8.914 -2.889 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.139 11.526 -1.603 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.146 10.524 -4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.619 12.118 -3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.295 11.329 -3.735 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.510 11.835 -5.217 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.193 13.960 -4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.617 13.454 -2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.193 14.856 -3.701 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.757 13.237 -4.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.791 14.637 -6.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.673 13.375 -6.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.127 14.944 -5.881 1.00 0.00 H new ATOM 638 N GLU A 46 -2.700 12.115 -1.353 1.00 0.00 N ATOM 639 CA GLU A 46 -4.025 12.290 -0.770 1.00 0.00 C ATOM 640 C GLU A 46 -5.102 11.718 -1.687 1.00 0.00 C ATOM 641 O GLU A 46 -5.099 11.959 -2.893 1.00 0.00 O ATOM 642 CB GLU A 46 -4.299 13.772 -0.506 1.00 0.00 C ATOM 643 CG GLU A 46 -5.627 14.032 0.186 1.00 0.00 C ATOM 644 CD GLU A 46 -6.226 15.374 -0.186 1.00 0.00 C ATOM 645 OE1 GLU A 46 -5.509 16.392 -0.088 1.00 0.00 O ATOM 646 OE2 GLU A 46 -7.412 15.406 -0.575 1.00 0.00 O ATOM 0 H GLU A 46 -2.220 12.986 -1.579 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.052 11.749 0.176 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.494 14.178 0.107 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.281 14.311 -1.454 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.329 13.240 -0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.484 13.989 1.266 1.00 0.00 H new ATOM 653 N GLY A 47 -6.024 10.956 -1.105 1.00 0.00 N ATOM 654 CA GLY A 47 -7.094 10.360 -1.883 1.00 0.00 C ATOM 655 C GLY A 47 -6.672 9.069 -2.555 1.00 0.00 C ATOM 656 O GLY A 47 -7.365 8.568 -3.440 1.00 0.00 O ATOM 0 H GLY A 47 -6.048 10.741 -0.108 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.947 10.166 -1.233 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.426 11.069 -2.641 1.00 0.00 H new ATOM 660 N GLN A 48 -5.531 8.530 -2.136 1.00 0.00 N ATOM 661 CA GLN A 48 -5.017 7.291 -2.706 1.00 0.00 C ATOM 662 C GLN A 48 -5.468 6.086 -1.886 1.00 0.00 C ATOM 663 O GLN A 48 -5.578 6.163 -0.662 1.00 0.00 O ATOM 664 CB GLN A 48 -3.490 7.332 -2.777 1.00 0.00 C ATOM 665 CG GLN A 48 -2.877 6.096 -3.416 1.00 0.00 C ATOM 666 CD GLN A 48 -1.372 6.202 -3.565 1.00 0.00 C ATOM 667 OE1 GLN A 48 -0.871 6.944 -4.411 1.00 0.00 O ATOM 668 NE2 GLN A 48 -0.641 5.459 -2.742 1.00 0.00 N ATOM 0 H GLN A 48 -4.946 8.932 -1.404 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.418 7.191 -3.715 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.184 8.212 -3.342 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.091 7.446 -1.769 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.118 5.222 -2.811 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.325 5.938 -4.397 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.098 4.858 -2.056 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.377 5.489 -2.796 1.00 0.00 H new ATOM 677 N ILE A 49 -5.726 4.976 -2.568 1.00 0.00 N ATOM 678 CA ILE A 49 -6.164 3.755 -1.902 1.00 0.00 C ATOM 679 C ILE A 49 -4.978 2.862 -1.555 1.00 0.00 C ATOM 680 O ILE A 49 -4.005 2.786 -2.307 1.00 0.00 O ATOM 681 CB ILE A 49 -7.153 2.961 -2.776 1.00 0.00 C ATOM 682 CG1 ILE A 49 -8.220 3.892 -3.353 1.00 0.00 C ATOM 683 CG2 ILE A 49 -7.797 1.845 -1.966 1.00 0.00 C ATOM 684 CD1 ILE A 49 -9.141 4.478 -2.305 1.00 0.00 C ATOM 0 H ILE A 49 -5.640 4.896 -3.581 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.667 4.059 -0.984 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.604 2.513 -3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.730 4.704 -3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.815 3.342 -4.082 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.493 1.293 -2.597 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.024 1.169 -1.600 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.335 2.273 -1.120 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.872 5.128 -2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.659 3.672 -1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.557 5.056 -1.589 1.00 0.00 H new ATOM 696 N ILE A 50 -5.066 2.187 -0.414 1.00 0.00 N ATOM 697 CA ILE A 50 -4.001 1.297 0.030 1.00 0.00 C ATOM 698 C ILE A 50 -4.570 0.014 0.626 1.00 0.00 C ATOM 699 O ILE A 50 -5.316 0.048 1.604 1.00 0.00 O ATOM 700 CB ILE A 50 -3.097 1.978 1.075 1.00 0.00 C ATOM 701 CG1 ILE A 50 -2.514 3.274 0.509 1.00 0.00 C ATOM 702 CG2 ILE A 50 -1.984 1.035 1.508 1.00 0.00 C ATOM 703 CD1 ILE A 50 -2.024 4.231 1.573 1.00 0.00 C ATOM 0 H ILE A 50 -5.864 2.240 0.220 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.406 1.054 -0.850 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.699 2.224 1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.687 3.030 -0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.273 3.772 -0.094 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.354 1.531 2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.418 0.136 1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.381 0.761 0.642 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.624 5.128 1.100 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.853 4.504 2.226 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.242 3.751 2.161 1.00 0.00 H new ATOM 715 N LYS A 51 -4.211 -1.119 0.030 1.00 0.00 N ATOM 716 CA LYS A 51 -4.682 -2.415 0.503 1.00 0.00 C ATOM 717 C LYS A 51 -3.852 -2.897 1.688 1.00 0.00 C ATOM 718 O LYS A 51 -2.763 -3.444 1.514 1.00 0.00 O ATOM 719 CB LYS A 51 -4.623 -3.445 -0.628 1.00 0.00 C ATOM 720 CG LYS A 51 -5.790 -3.353 -1.596 1.00 0.00 C ATOM 721 CD LYS A 51 -5.699 -4.413 -2.681 1.00 0.00 C ATOM 722 CE LYS A 51 -6.899 -4.360 -3.614 1.00 0.00 C ATOM 723 NZ LYS A 51 -6.806 -3.224 -4.573 1.00 0.00 N ATOM 0 H LYS A 51 -3.595 -1.165 -0.782 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.716 -2.301 0.830 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.693 -3.313 -1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.598 -4.445 -0.196 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.726 -3.469 -1.050 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.808 -2.364 -2.053 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.784 -4.270 -3.255 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.636 -5.400 -2.223 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.971 -5.297 -4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.812 -4.265 -3.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.642 -3.222 -5.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.763 -2.328 -4.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.948 -3.327 -5.152 1.00 0.00 H new ATOM 737 N VAL A 52 -4.373 -2.692 2.893 1.00 0.00 N ATOM 738 CA VAL A 52 -3.681 -3.108 4.107 1.00 0.00 C ATOM 739 C VAL A 52 -3.848 -4.603 4.349 1.00 0.00 C ATOM 740 O VAL A 52 -4.884 -5.184 4.024 1.00 0.00 O ATOM 741 CB VAL A 52 -4.195 -2.338 5.338 1.00 0.00 C ATOM 742 CG1 VAL A 52 -3.775 -3.040 6.620 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.692 -0.903 5.317 1.00 0.00 C ATOM 0 H VAL A 52 -5.273 -2.240 3.055 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.624 -2.882 3.963 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.284 -2.317 5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.147 -2.482 7.479 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.189 -4.048 6.635 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.687 -3.094 6.666 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.065 -0.374 6.194 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.602 -0.899 5.327 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.048 -0.406 4.415 1.00 0.00 H new ATOM 753 N TYR A 53 -2.822 -5.222 4.924 1.00 0.00 N ATOM 754 CA TYR A 53 -2.854 -6.652 5.209 1.00 0.00 C ATOM 755 C TYR A 53 -2.269 -6.946 6.587 1.00 0.00 C ATOM 756 O TYR A 53 -1.084 -6.726 6.830 1.00 0.00 O ATOM 757 CB TYR A 53 -2.081 -7.424 4.138 1.00 0.00 C ATOM 758 CG TYR A 53 -2.651 -7.265 2.747 1.00 0.00 C ATOM 759 CD1 TYR A 53 -3.769 -7.985 2.346 1.00 0.00 C ATOM 760 CD2 TYR A 53 -2.070 -6.394 1.833 1.00 0.00 C ATOM 761 CE1 TYR A 53 -4.292 -7.844 1.076 1.00 0.00 C ATOM 762 CE2 TYR A 53 -2.587 -6.246 0.560 1.00 0.00 C ATOM 763 CZ TYR A 53 -3.698 -6.973 0.186 1.00 0.00 C ATOM 764 OH TYR A 53 -4.217 -6.828 -1.080 1.00 0.00 O ATOM 0 H TYR A 53 -1.958 -4.756 5.202 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.895 -6.976 5.200 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.044 -7.088 4.137 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.073 -8.482 4.399 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.238 -8.667 3.040 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.200 -5.823 2.122 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.162 -8.413 0.781 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.124 -5.565 -0.138 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.683 -6.176 -1.580 1.00 0.00 H new ATOM 774 N GLY A 54 -3.112 -7.446 7.486 1.00 0.00 N ATOM 775 CA GLY A 54 -2.661 -7.763 8.828 1.00 0.00 C ATOM 776 C GLY A 54 -2.630 -6.547 9.732 1.00 0.00 C ATOM 777 O GLY A 54 -3.141 -5.485 9.373 1.00 0.00 O ATOM 0 H GLY A 54 -4.098 -7.637 7.309 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.319 -8.517 9.261 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.664 -8.201 8.779 1.00 0.00 H new ATOM 781 N ASP A 55 -2.032 -6.700 10.908 1.00 0.00 N ATOM 782 CA ASP A 55 -1.937 -5.606 11.867 1.00 0.00 C ATOM 783 C ASP A 55 -0.677 -4.781 11.627 1.00 0.00 C ATOM 784 O ASP A 55 0.075 -5.035 10.685 1.00 0.00 O ATOM 785 CB ASP A 55 -1.942 -6.149 13.296 1.00 0.00 C ATOM 786 CG ASP A 55 -2.515 -5.159 14.290 1.00 0.00 C ATOM 787 OD1 ASP A 55 -3.741 -4.921 14.253 1.00 0.00 O ATOM 788 OD2 ASP A 55 -1.738 -4.621 15.107 1.00 0.00 O ATOM 0 H ASP A 55 -1.605 -7.572 11.220 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.804 -4.960 11.730 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.523 -7.070 13.329 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.923 -6.404 13.588 1.00 0.00 H new ATOM 793 N LYS A 56 -0.450 -3.792 12.485 1.00 0.00 N ATOM 794 CA LYS A 56 0.719 -2.929 12.368 1.00 0.00 C ATOM 795 C LYS A 56 1.760 -3.277 13.428 1.00 0.00 C ATOM 796 O LYS A 56 1.440 -3.393 14.611 1.00 0.00 O ATOM 797 CB LYS A 56 0.310 -1.461 12.502 1.00 0.00 C ATOM 798 CG LYS A 56 -0.494 -1.165 13.756 1.00 0.00 C ATOM 799 CD LYS A 56 -0.881 0.302 13.837 1.00 0.00 C ATOM 800 CE LYS A 56 -1.007 0.766 15.280 1.00 0.00 C ATOM 801 NZ LYS A 56 -2.103 0.059 15.997 1.00 0.00 N ATOM 0 H LYS A 56 -1.061 -3.568 13.270 1.00 0.00 H new ATOM 0 HA LYS A 56 1.160 -3.088 11.384 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.207 -0.841 12.501 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.276 -1.175 11.629 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.393 -1.781 13.766 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.089 -1.438 14.636 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.133 0.906 13.324 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.827 0.459 13.319 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.064 0.596 15.800 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.193 1.840 15.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.189 0.440 16.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.999 0.200 15.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.888 -0.957 16.044 1.00 0.00 H new ATOM 815 N ASP A 57 3.005 -3.440 12.996 1.00 0.00 N ATOM 816 CA ASP A 57 4.094 -3.772 13.908 1.00 0.00 C ATOM 817 C ASP A 57 4.105 -2.828 15.107 1.00 0.00 C ATOM 818 O ASP A 57 3.277 -1.922 15.203 1.00 0.00 O ATOM 819 CB ASP A 57 5.437 -3.706 13.179 1.00 0.00 C ATOM 820 CG ASP A 57 6.528 -4.465 13.907 1.00 0.00 C ATOM 821 OD1 ASP A 57 6.466 -5.712 13.937 1.00 0.00 O ATOM 822 OD2 ASP A 57 7.445 -3.812 14.449 1.00 0.00 O ATOM 0 H ASP A 57 3.286 -3.348 12.020 1.00 0.00 H new ATOM 0 HA ASP A 57 3.936 -4.788 14.269 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.323 -4.114 12.175 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.736 -2.664 13.067 1.00 0.00 H new ATOM 827 N ALA A 58 5.046 -3.049 16.018 1.00 0.00 N ATOM 828 CA ALA A 58 5.166 -2.218 17.210 1.00 0.00 C ATOM 829 C ALA A 58 5.159 -0.736 16.849 1.00 0.00 C ATOM 830 O ALA A 58 4.456 0.061 17.471 1.00 0.00 O ATOM 831 CB ALA A 58 6.433 -2.571 17.975 1.00 0.00 C ATOM 0 H ALA A 58 5.737 -3.797 15.954 1.00 0.00 H new ATOM 0 HA ALA A 58 4.304 -2.414 17.847 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.509 -1.943 18.862 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.397 -3.619 18.274 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.301 -2.405 17.337 1.00 0.00 H new ATOM 837 N ASP A 59 5.945 -0.374 15.841 1.00 0.00 N ATOM 838 CA ASP A 59 6.029 1.012 15.397 1.00 0.00 C ATOM 839 C ASP A 59 4.637 1.599 15.181 1.00 0.00 C ATOM 840 O ASP A 59 4.363 2.733 15.571 1.00 0.00 O ATOM 841 CB ASP A 59 6.842 1.109 14.106 1.00 0.00 C ATOM 842 CG ASP A 59 8.041 0.181 14.107 1.00 0.00 C ATOM 843 OD1 ASP A 59 7.871 -1.008 13.764 1.00 0.00 O ATOM 844 OD2 ASP A 59 9.150 0.643 14.451 1.00 0.00 O ATOM 0 H ASP A 59 6.533 -1.021 15.316 1.00 0.00 H new ATOM 0 HA ASP A 59 6.530 1.587 16.176 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.201 0.869 13.257 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.181 2.136 13.970 1.00 0.00 H new ATOM 849 N GLY A 60 3.762 0.818 14.555 1.00 0.00 N ATOM 850 CA GLY A 60 2.410 1.278 14.297 1.00 0.00 C ATOM 851 C GLY A 60 2.174 1.591 12.833 1.00 0.00 C ATOM 852 O GLY A 60 1.501 2.567 12.500 1.00 0.00 O ATOM 0 H GLY A 60 3.965 -0.125 14.222 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.702 0.515 14.621 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.213 2.170 14.892 1.00 0.00 H new ATOM 856 N PHE A 61 2.730 0.763 11.955 1.00 0.00 N ATOM 857 CA PHE A 61 2.579 0.958 10.518 1.00 0.00 C ATOM 858 C PHE A 61 1.763 -0.173 9.898 1.00 0.00 C ATOM 859 O PHE A 61 1.976 -1.346 10.203 1.00 0.00 O ATOM 860 CB PHE A 61 3.951 1.040 9.846 1.00 0.00 C ATOM 861 CG PHE A 61 4.605 2.385 9.980 1.00 0.00 C ATOM 862 CD1 PHE A 61 5.139 2.793 11.191 1.00 0.00 C ATOM 863 CD2 PHE A 61 4.685 3.243 8.894 1.00 0.00 C ATOM 864 CE1 PHE A 61 5.742 4.031 11.318 1.00 0.00 C ATOM 865 CE2 PHE A 61 5.286 4.481 9.014 1.00 0.00 C ATOM 866 CZ PHE A 61 5.815 4.876 10.228 1.00 0.00 C ATOM 0 H PHE A 61 3.289 -0.050 12.214 1.00 0.00 H new ATOM 0 HA PHE A 61 2.047 1.896 10.358 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.604 0.283 10.279 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.843 0.801 8.788 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.084 2.136 12.047 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.273 2.940 7.943 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.155 4.337 12.268 1.00 0.00 H new ATOM 0 HE2 PHE A 61 5.342 5.140 8.160 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.285 5.844 10.324 1.00 0.00 H new ATOM 876 N TYR A 62 0.829 0.189 9.026 1.00 0.00 N ATOM 877 CA TYR A 62 -0.022 -0.793 8.365 1.00 0.00 C ATOM 878 C TYR A 62 0.546 -1.176 7.002 1.00 0.00 C ATOM 879 O TYR A 62 0.254 -0.534 5.993 1.00 0.00 O ATOM 880 CB TYR A 62 -1.441 -0.245 8.203 1.00 0.00 C ATOM 881 CG TYR A 62 -2.225 -0.204 9.495 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.250 -1.298 10.350 1.00 0.00 C ATOM 883 CD2 TYR A 62 -2.941 0.930 9.860 1.00 0.00 C ATOM 884 CE1 TYR A 62 -2.966 -1.265 11.531 1.00 0.00 C ATOM 885 CE2 TYR A 62 -3.659 0.972 11.040 1.00 0.00 C ATOM 886 CZ TYR A 62 -3.669 -0.128 11.872 1.00 0.00 C ATOM 887 OH TYR A 62 -4.382 -0.091 13.048 1.00 0.00 O ATOM 0 H TYR A 62 0.642 1.156 8.760 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.055 -1.686 8.989 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.388 0.762 7.788 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.979 -0.859 7.481 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.700 -2.190 10.087 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.936 1.793 9.210 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.975 -2.125 12.184 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.209 1.861 11.309 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.819 0.782 13.139 1.00 0.00 H new ATOM 897 N ARG A 63 1.359 -2.227 6.981 1.00 0.00 N ATOM 898 CA ARG A 63 1.969 -2.696 5.742 1.00 0.00 C ATOM 899 C ARG A 63 0.906 -2.979 4.685 1.00 0.00 C ATOM 900 O ARG A 63 0.312 -4.056 4.660 1.00 0.00 O ATOM 901 CB ARG A 63 2.794 -3.958 6.002 1.00 0.00 C ATOM 902 CG ARG A 63 3.960 -4.132 5.042 1.00 0.00 C ATOM 903 CD ARG A 63 4.735 -5.408 5.331 1.00 0.00 C ATOM 904 NE ARG A 63 5.437 -5.344 6.610 1.00 0.00 N ATOM 905 CZ ARG A 63 4.873 -5.645 7.775 1.00 0.00 C ATOM 906 NH1 ARG A 63 3.605 -6.028 7.821 1.00 0.00 N ATOM 907 NH2 ARG A 63 5.578 -5.562 8.896 1.00 0.00 N ATOM 0 H ARG A 63 1.611 -2.770 7.807 1.00 0.00 H new ATOM 0 HA ARG A 63 2.626 -1.910 5.369 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.176 -3.928 7.022 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.142 -4.829 5.931 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.589 -4.155 4.017 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.628 -3.274 5.120 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.049 -6.255 5.336 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.454 -5.584 4.531 1.00 0.00 H new ATOM 0 HE ARG A 63 6.414 -5.052 6.609 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.060 -6.092 6.961 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.174 -6.259 8.716 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.554 -5.267 8.864 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.144 -5.793 9.790 1.00 0.00 H new ATOM 921 N GLY A 64 0.671 -2.003 3.813 1.00 0.00 N ATOM 922 CA GLY A 64 -0.321 -2.166 2.767 1.00 0.00 C ATOM 923 C GLY A 64 0.295 -2.178 1.381 1.00 0.00 C ATOM 924 O GLY A 64 1.506 -2.022 1.233 1.00 0.00 O ATOM 0 H GLY A 64 1.150 -1.103 3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.865 -3.097 2.928 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.049 -1.357 2.831 1.00 0.00 H new ATOM 928 N GLU A 65 -0.542 -2.366 0.365 1.00 0.00 N ATOM 929 CA GLU A 65 -0.071 -2.400 -1.014 1.00 0.00 C ATOM 930 C GLU A 65 -0.819 -1.381 -1.870 1.00 0.00 C ATOM 931 O GLU A 65 -2.046 -1.293 -1.821 1.00 0.00 O ATOM 932 CB GLU A 65 -0.247 -3.802 -1.602 1.00 0.00 C ATOM 933 CG GLU A 65 0.048 -3.880 -3.090 1.00 0.00 C ATOM 934 CD GLU A 65 -0.434 -5.175 -3.714 1.00 0.00 C ATOM 935 OE1 GLU A 65 -1.610 -5.229 -4.131 1.00 0.00 O ATOM 936 OE2 GLU A 65 0.363 -6.133 -3.785 1.00 0.00 O ATOM 0 H GLU A 65 -1.548 -2.497 0.471 1.00 0.00 H new ATOM 0 HA GLU A 65 0.988 -2.143 -1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.409 -4.493 -1.073 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.270 -4.135 -1.425 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.427 -3.039 -3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.122 -3.782 -3.249 1.00 0.00 H new ATOM 943 N THR A 66 -0.069 -0.612 -2.653 1.00 0.00 N ATOM 944 CA THR A 66 -0.659 0.403 -3.518 1.00 0.00 C ATOM 945 C THR A 66 0.167 0.592 -4.785 1.00 0.00 C ATOM 946 O THR A 66 1.387 0.423 -4.773 1.00 0.00 O ATOM 947 CB THR A 66 -0.783 1.756 -2.792 1.00 0.00 C ATOM 948 OG1 THR A 66 -1.411 2.716 -3.650 1.00 0.00 O ATOM 949 CG2 THR A 66 0.584 2.268 -2.364 1.00 0.00 C ATOM 0 H THR A 66 0.948 -0.672 -2.706 1.00 0.00 H new ATOM 0 HA THR A 66 -1.655 0.051 -3.786 1.00 0.00 H new ATOM 0 HB THR A 66 -1.394 1.611 -1.901 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.329 2.875 -3.346 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.471 3.224 -1.854 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.047 1.549 -1.688 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.215 2.398 -3.243 1.00 0.00 H new ATOM 957 N CYS A 67 -0.504 0.945 -5.875 1.00 0.00 N ATOM 958 CA CYS A 67 0.169 1.158 -7.152 1.00 0.00 C ATOM 959 C CYS A 67 1.231 0.090 -7.391 1.00 0.00 C ATOM 960 O CYS A 67 2.381 0.402 -7.699 1.00 0.00 O ATOM 961 CB CYS A 67 0.808 2.547 -7.190 1.00 0.00 C ATOM 962 SG CYS A 67 1.012 3.220 -8.856 1.00 0.00 S ATOM 0 H CYS A 67 -1.513 1.090 -5.901 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.577 1.087 -7.944 1.00 0.00 H new ATOM 0 HB2 CYS A 67 0.196 3.233 -6.605 1.00 0.00 H new ATOM 0 HB3 CYS A 67 1.784 2.500 -6.707 1.00 0.00 H new ATOM 0 HG CYS A 67 1.558 4.398 -8.784 1.00 0.00 H new ATOM 968 N ALA A 68 0.838 -1.171 -7.246 1.00 0.00 N ATOM 969 CA ALA A 68 1.756 -2.286 -7.447 1.00 0.00 C ATOM 970 C ALA A 68 3.007 -2.128 -6.589 1.00 0.00 C ATOM 971 O ALA A 68 4.100 -2.527 -6.990 1.00 0.00 O ATOM 972 CB ALA A 68 2.133 -2.401 -8.916 1.00 0.00 C ATOM 0 H ALA A 68 -0.110 -1.446 -6.990 1.00 0.00 H new ATOM 0 HA ALA A 68 1.250 -3.201 -7.140 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.819 -3.237 -9.051 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.235 -2.568 -9.510 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.616 -1.480 -9.241 1.00 0.00 H new ATOM 978 N ARG A 69 2.838 -1.544 -5.407 1.00 0.00 N ATOM 979 CA ARG A 69 3.954 -1.332 -4.494 1.00 0.00 C ATOM 980 C ARG A 69 3.661 -1.942 -3.126 1.00 0.00 C ATOM 981 O ARG A 69 2.503 -2.169 -2.771 1.00 0.00 O ATOM 982 CB ARG A 69 4.244 0.163 -4.346 1.00 0.00 C ATOM 983 CG ARG A 69 5.675 0.469 -3.935 1.00 0.00 C ATOM 984 CD ARG A 69 6.131 1.818 -4.468 1.00 0.00 C ATOM 985 NE ARG A 69 6.489 1.754 -5.883 1.00 0.00 N ATOM 986 CZ ARG A 69 6.484 2.809 -6.690 1.00 0.00 C ATOM 987 NH1 ARG A 69 6.141 4.002 -6.225 1.00 0.00 N ATOM 988 NH2 ARG A 69 6.822 2.671 -7.966 1.00 0.00 N ATOM 0 H ARG A 69 1.939 -1.210 -5.060 1.00 0.00 H new ATOM 0 HA ARG A 69 4.831 -1.825 -4.913 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.033 0.661 -5.292 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.564 0.585 -3.605 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.752 0.461 -2.848 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.337 -0.313 -4.307 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.336 2.551 -4.328 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.989 2.164 -3.892 1.00 0.00 H new ATOM 0 HE ARG A 69 6.757 0.850 -6.272 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.880 4.112 -5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.138 4.810 -6.847 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.086 1.754 -8.327 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.818 3.482 -8.585 1.00 0.00 H new ATOM 1002 N LEU A 70 4.716 -2.204 -2.362 1.00 0.00 N ATOM 1003 CA LEU A 70 4.572 -2.788 -1.033 1.00 0.00 C ATOM 1004 C LEU A 70 5.498 -2.102 -0.034 1.00 0.00 C ATOM 1005 O LEU A 70 6.717 -2.109 -0.196 1.00 0.00 O ATOM 1006 CB LEU A 70 4.872 -4.287 -1.078 1.00 0.00 C ATOM 1007 CG LEU A 70 4.111 -5.154 -0.075 1.00 0.00 C ATOM 1008 CD1 LEU A 70 2.643 -4.758 -0.033 1.00 0.00 C ATOM 1009 CD2 LEU A 70 4.257 -6.628 -0.425 1.00 0.00 C ATOM 0 H LEU A 70 5.680 -2.021 -2.640 1.00 0.00 H new ATOM 0 HA LEU A 70 3.542 -2.640 -0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.653 -4.651 -2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.940 -4.429 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 70 4.539 -4.992 0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.117 -5.386 0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.556 -3.713 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.202 -4.891 -1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.709 -7.230 0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.856 -6.807 -1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.311 -6.904 -0.403 1.00 0.00 H new ATOM 1021 N GLY A 71 4.909 -1.511 1.002 1.00 0.00 N ATOM 1022 CA GLY A 71 5.696 -0.830 2.013 1.00 0.00 C ATOM 1023 C GLY A 71 4.937 -0.646 3.312 1.00 0.00 C ATOM 1024 O GLY A 71 4.071 -1.453 3.654 1.00 0.00 O ATOM 0 H GLY A 71 3.901 -1.492 1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.606 -1.399 2.205 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.003 0.145 1.634 1.00 0.00 H new ATOM 1028 N LEU A 72 5.261 0.417 4.039 1.00 0.00 N ATOM 1029 CA LEU A 72 4.604 0.704 5.310 1.00 0.00 C ATOM 1030 C LEU A 72 3.777 1.983 5.219 1.00 0.00 C ATOM 1031 O LEU A 72 4.103 2.891 4.454 1.00 0.00 O ATOM 1032 CB LEU A 72 5.642 0.834 6.426 1.00 0.00 C ATOM 1033 CG LEU A 72 6.395 -0.446 6.794 1.00 0.00 C ATOM 1034 CD1 LEU A 72 7.490 -0.148 7.806 1.00 0.00 C ATOM 1035 CD2 LEU A 72 5.433 -1.492 7.338 1.00 0.00 C ATOM 0 H LEU A 72 5.975 1.095 3.771 1.00 0.00 H new ATOM 0 HA LEU A 72 3.934 -0.125 5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.371 1.589 6.131 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.141 1.207 7.319 1.00 0.00 H new ATOM 0 HG LEU A 72 6.861 -0.844 5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.015 -1.070 8.056 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.194 0.567 7.380 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.047 0.273 8.708 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.985 -2.396 7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.939 -1.104 8.229 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.685 -1.727 6.581 1.00 0.00 H new ATOM 1047 N ILE A 73 2.707 2.047 6.004 1.00 0.00 N ATOM 1048 CA ILE A 73 1.836 3.215 6.014 1.00 0.00 C ATOM 1049 C ILE A 73 1.542 3.670 7.440 1.00 0.00 C ATOM 1050 O ILE A 73 1.126 2.886 8.294 1.00 0.00 O ATOM 1051 CB ILE A 73 0.506 2.932 5.293 1.00 0.00 C ATOM 1052 CG1 ILE A 73 0.760 2.591 3.823 1.00 0.00 C ATOM 1053 CG2 ILE A 73 -0.427 4.128 5.411 1.00 0.00 C ATOM 1054 CD1 ILE A 73 1.179 1.155 3.599 1.00 0.00 C ATOM 0 H ILE A 73 2.423 1.303 6.641 1.00 0.00 H new ATOM 0 HA ILE A 73 2.365 4.007 5.484 1.00 0.00 H new ATOM 0 HB ILE A 73 0.028 2.075 5.768 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.146 2.790 3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.535 3.252 3.434 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.363 3.912 4.896 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.630 4.329 6.463 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.042 5.002 4.959 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.342 0.985 2.535 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.102 0.956 4.143 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.396 0.487 3.957 1.00 0.00 H new ATOM 1066 N PRO A 74 1.760 4.966 7.705 1.00 0.00 N ATOM 1067 CA PRO A 74 1.523 5.555 9.026 1.00 0.00 C ATOM 1068 C PRO A 74 0.039 5.635 9.367 1.00 0.00 C ATOM 1069 O PRO A 74 -0.691 6.461 8.817 1.00 0.00 O ATOM 1070 CB PRO A 74 2.119 6.959 8.901 1.00 0.00 C ATOM 1071 CG PRO A 74 2.059 7.268 7.445 1.00 0.00 C ATOM 1072 CD PRO A 74 2.256 5.957 6.735 1.00 0.00 C ATOM 0 HA PRO A 74 1.966 4.959 9.823 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.550 7.684 9.483 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.144 6.988 9.270 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.101 7.715 7.180 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.833 7.983 7.166 1.00 0.00 H new ATOM 0 HD2 PRO A 74 1.697 5.919 5.800 1.00 0.00 H new ATOM 0 HD3 PRO A 74 3.304 5.788 6.487 1.00 0.00 H new ATOM 1080 N CYS A 75 -0.402 4.773 10.277 1.00 0.00 N ATOM 1081 CA CYS A 75 -1.800 4.746 10.690 1.00 0.00 C ATOM 1082 C CYS A 75 -2.285 6.144 11.061 1.00 0.00 C ATOM 1083 O CYS A 75 -3.473 6.445 10.963 1.00 0.00 O ATOM 1084 CB CYS A 75 -1.984 3.798 11.877 1.00 0.00 C ATOM 1085 SG CYS A 75 -3.582 3.959 12.709 1.00 0.00 S ATOM 0 H CYS A 75 0.189 4.084 10.742 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.394 4.386 9.850 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -1.869 2.771 11.530 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -1.190 3.980 12.601 1.00 0.00 H new ATOM 0 HG CYS A 75 -4.204 5.006 12.255 1.00 0.00 H new ATOM 1091 N ASN A 76 -1.356 6.992 11.488 1.00 0.00 N ATOM 1092 CA ASN A 76 -1.688 8.358 11.876 1.00 0.00 C ATOM 1093 C ASN A 76 -2.205 9.153 10.680 1.00 0.00 C ATOM 1094 O ASN A 76 -3.224 9.836 10.770 1.00 0.00 O ATOM 1095 CB ASN A 76 -0.464 9.054 12.474 1.00 0.00 C ATOM 1096 CG ASN A 76 0.175 8.244 13.586 1.00 0.00 C ATOM 1097 OD1 ASN A 76 -0.513 7.570 14.352 1.00 0.00 O ATOM 1098 ND2 ASN A 76 1.498 8.307 13.678 1.00 0.00 N ATOM 0 H ASN A 76 -0.367 6.758 11.574 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.475 8.313 12.629 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.271 9.230 11.688 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.757 10.030 12.861 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.984 7.783 14.406 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.028 8.879 13.021 1.00 0.00 H new ATOM 1105 N MET A 77 -1.494 9.056 9.561 1.00 0.00 N ATOM 1106 CA MET A 77 -1.881 9.764 8.347 1.00 0.00 C ATOM 1107 C MET A 77 -3.165 9.182 7.764 1.00 0.00 C ATOM 1108 O MET A 77 -4.232 9.789 7.855 1.00 0.00 O ATOM 1109 CB MET A 77 -0.758 9.695 7.310 1.00 0.00 C ATOM 1110 CG MET A 77 0.578 10.202 7.826 1.00 0.00 C ATOM 1111 SD MET A 77 0.674 12.002 7.855 1.00 0.00 S ATOM 1112 CE MET A 77 0.844 12.360 6.109 1.00 0.00 C ATOM 0 H MET A 77 -0.647 8.494 9.470 1.00 0.00 H new ATOM 0 HA MET A 77 -2.061 10.807 8.607 1.00 0.00 H new ATOM 0 HB2 MET A 77 -0.642 8.663 6.980 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.046 10.279 6.436 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.744 9.817 8.832 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.378 9.810 7.198 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.213 13.378 5.980 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.549 11.659 5.661 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.126 12.261 5.621 1.00 0.00 H new ATOM 1122 N VAL A 78 -3.054 8.000 7.164 1.00 0.00 N ATOM 1123 CA VAL A 78 -4.206 7.335 6.566 1.00 0.00 C ATOM 1124 C VAL A 78 -5.340 7.190 7.575 1.00 0.00 C ATOM 1125 O VAL A 78 -5.218 7.606 8.727 1.00 0.00 O ATOM 1126 CB VAL A 78 -3.832 5.942 6.026 1.00 0.00 C ATOM 1127 CG1 VAL A 78 -2.864 6.065 4.859 1.00 0.00 C ATOM 1128 CG2 VAL A 78 -3.240 5.083 7.133 1.00 0.00 C ATOM 0 H VAL A 78 -2.178 7.484 7.079 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.538 7.960 5.737 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.738 5.455 5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.611 5.071 4.490 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.330 6.641 4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.957 6.571 5.190 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.982 4.102 6.734 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.343 5.563 7.526 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.970 4.968 7.934 1.00 0.00 H new ATOM 1138 N SER A 79 -6.444 6.595 7.133 1.00 0.00 N ATOM 1139 CA SER A 79 -7.602 6.396 7.996 1.00 0.00 C ATOM 1140 C SER A 79 -8.415 5.186 7.546 1.00 0.00 C ATOM 1141 O SER A 79 -8.300 4.739 6.405 1.00 0.00 O ATOM 1142 CB SER A 79 -8.485 7.646 7.996 1.00 0.00 C ATOM 1143 OG SER A 79 -9.314 7.685 9.145 1.00 0.00 O ATOM 0 H SER A 79 -6.560 6.243 6.183 1.00 0.00 H new ATOM 0 HA SER A 79 -7.242 6.213 9.008 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.859 8.538 7.965 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.102 7.659 7.098 1.00 0.00 H new ATOM 0 HG SER A 79 -9.867 8.494 9.122 1.00 0.00 H new ATOM 1149 N GLU A 80 -9.236 4.662 8.450 1.00 0.00 N ATOM 1150 CA GLU A 80 -10.067 3.503 8.146 1.00 0.00 C ATOM 1151 C GLU A 80 -11.401 3.933 7.544 1.00 0.00 C ATOM 1152 O GLU A 80 -12.088 4.800 8.086 1.00 0.00 O ATOM 1153 CB GLU A 80 -10.308 2.675 9.410 1.00 0.00 C ATOM 1154 CG GLU A 80 -11.172 1.447 9.177 1.00 0.00 C ATOM 1155 CD GLU A 80 -11.217 0.528 10.383 1.00 0.00 C ATOM 1156 OE1 GLU A 80 -11.917 0.865 11.360 1.00 0.00 O ATOM 1157 OE2 GLU A 80 -10.551 -0.528 10.348 1.00 0.00 O ATOM 0 H GLU A 80 -9.344 5.021 9.399 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.539 2.891 7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.347 2.361 9.817 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.782 3.305 10.162 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.185 1.762 8.927 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.789 0.895 8.319 1.00 0.00 H new ATOM 1164 N ILE A 81 -11.761 3.322 6.420 1.00 0.00 N ATOM 1165 CA ILE A 81 -13.012 3.641 5.745 1.00 0.00 C ATOM 1166 C ILE A 81 -14.173 2.849 6.335 1.00 0.00 C ATOM 1167 O ILE A 81 -15.173 3.423 6.767 1.00 0.00 O ATOM 1168 CB ILE A 81 -12.925 3.355 4.234 1.00 0.00 C ATOM 1169 CG1 ILE A 81 -11.802 4.177 3.600 1.00 0.00 C ATOM 1170 CG2 ILE A 81 -14.256 3.657 3.560 1.00 0.00 C ATOM 1171 CD1 ILE A 81 -11.536 3.824 2.154 1.00 0.00 C ATOM 0 H ILE A 81 -11.204 2.603 5.958 1.00 0.00 H new ATOM 0 HA ILE A 81 -13.189 4.706 5.895 1.00 0.00 H new ATOM 0 HB ILE A 81 -12.700 2.298 4.092 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -12.055 5.235 3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -10.887 4.032 4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -14.179 3.450 2.493 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -15.035 3.031 3.996 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -14.509 4.707 3.709 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -10.728 4.446 1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -11.251 2.774 2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -12.437 3.996 1.566 1.00 0.00 H new ATOM 1183 N GLN A 82 -14.033 1.527 6.353 1.00 0.00 N ATOM 1184 CA GLN A 82 -15.070 0.656 6.892 1.00 0.00 C ATOM 1185 C GLN A 82 -14.465 -0.427 7.779 1.00 0.00 C ATOM 1186 O GLN A 82 -13.334 -0.862 7.560 1.00 0.00 O ATOM 1187 CB GLN A 82 -15.868 0.014 5.755 1.00 0.00 C ATOM 1188 CG GLN A 82 -16.971 0.905 5.208 1.00 0.00 C ATOM 1189 CD GLN A 82 -18.242 0.833 6.030 1.00 0.00 C ATOM 1190 OE1 GLN A 82 -18.553 1.745 6.797 1.00 0.00 O ATOM 1191 NE2 GLN A 82 -18.987 -0.256 5.874 1.00 0.00 N ATOM 0 H GLN A 82 -13.211 1.036 6.000 1.00 0.00 H new ATOM 0 HA GLN A 82 -15.741 1.264 7.499 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -15.186 -0.245 4.945 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -16.308 -0.917 6.112 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -16.619 1.936 5.180 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -17.191 0.615 4.180 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -18.692 -0.988 5.228 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -19.854 -0.360 6.401 1.00 0.00 H new ATOM 1200 N ALA A 83 -15.224 -0.858 8.780 1.00 0.00 N ATOM 1201 CA ALA A 83 -14.763 -1.891 9.699 1.00 0.00 C ATOM 1202 C ALA A 83 -15.596 -3.161 9.560 1.00 0.00 C ATOM 1203 O ALA A 83 -16.825 -3.108 9.527 1.00 0.00 O ATOM 1204 CB ALA A 83 -14.809 -1.382 11.132 1.00 0.00 C ATOM 0 H ALA A 83 -16.162 -0.508 8.976 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.731 -2.134 9.445 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.462 -2.164 11.807 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -14.165 -0.508 11.228 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.833 -1.109 11.389 1.00 0.00 H new ATOM 1210 N ASP A 84 -14.919 -4.301 9.477 1.00 0.00 N ATOM 1211 CA ASP A 84 -15.596 -5.585 9.342 1.00 0.00 C ATOM 1212 C ASP A 84 -16.476 -5.866 10.556 1.00 0.00 C ATOM 1213 O ASP A 84 -17.676 -6.109 10.422 1.00 0.00 O ATOM 1214 CB ASP A 84 -14.574 -6.709 9.166 1.00 0.00 C ATOM 1215 CG ASP A 84 -13.511 -6.698 10.246 1.00 0.00 C ATOM 1216 OD1 ASP A 84 -12.754 -5.708 10.323 1.00 0.00 O ATOM 1217 OD2 ASP A 84 -13.434 -7.680 11.015 1.00 0.00 O ATOM 0 H ASP A 84 -13.901 -4.362 9.501 1.00 0.00 H new ATOM 0 HA ASP A 84 -16.232 -5.541 8.458 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.089 -7.670 9.177 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.098 -6.614 8.190 1.00 0.00 H new ATOM 1222 N ASP A 85 -15.873 -5.831 11.738 1.00 0.00 N ATOM 1223 CA ASP A 85 -16.601 -6.082 12.977 1.00 0.00 C ATOM 1224 C ASP A 85 -17.940 -5.351 12.977 1.00 0.00 C ATOM 1225 O ASP A 85 -18.124 -4.372 12.254 1.00 0.00 O ATOM 1226 CB ASP A 85 -15.767 -5.644 14.182 1.00 0.00 C ATOM 1227 CG ASP A 85 -15.366 -4.183 14.108 1.00 0.00 C ATOM 1228 OD1 ASP A 85 -14.502 -3.847 13.272 1.00 0.00 O ATOM 1229 OD2 ASP A 85 -15.916 -3.377 14.888 1.00 0.00 O ATOM 0 H ASP A 85 -14.881 -5.631 11.865 1.00 0.00 H new ATOM 0 HA ASP A 85 -16.791 -7.153 13.047 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.336 -5.816 15.096 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -14.871 -6.261 14.244 1.00 0.00 H new ATOM 1234 N GLU A 86 -18.873 -5.835 13.791 1.00 0.00 N ATOM 1235 CA GLU A 86 -20.196 -5.229 13.883 1.00 0.00 C ATOM 1236 C GLU A 86 -20.365 -4.489 15.207 1.00 0.00 C ATOM 1237 O GLU A 86 -19.720 -4.821 16.201 1.00 0.00 O ATOM 1238 CB GLU A 86 -21.282 -6.297 13.741 1.00 0.00 C ATOM 1239 CG GLU A 86 -21.204 -7.388 14.796 1.00 0.00 C ATOM 1240 CD GLU A 86 -22.498 -8.169 14.923 1.00 0.00 C ATOM 1241 OE1 GLU A 86 -22.953 -8.732 13.905 1.00 0.00 O ATOM 1242 OE2 GLU A 86 -23.055 -8.217 16.040 1.00 0.00 O ATOM 0 H GLU A 86 -18.737 -6.645 14.396 1.00 0.00 H new ATOM 0 HA GLU A 86 -20.295 -4.510 13.070 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -22.260 -5.819 13.797 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -21.206 -6.752 12.753 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -20.394 -8.073 14.546 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -20.958 -6.940 15.759 1.00 0.00 H new ATOM 1249 N GLU A 87 -21.236 -3.485 15.210 1.00 0.00 N ATOM 1250 CA GLU A 87 -21.488 -2.697 16.411 1.00 0.00 C ATOM 1251 C GLU A 87 -21.800 -3.602 17.599 1.00 0.00 C ATOM 1252 O GLU A 87 -22.106 -4.782 17.431 1.00 0.00 O ATOM 1253 CB GLU A 87 -22.648 -1.726 16.177 1.00 0.00 C ATOM 1254 CG GLU A 87 -22.212 -0.381 15.622 1.00 0.00 C ATOM 1255 CD GLU A 87 -21.026 0.201 16.367 1.00 0.00 C ATOM 1256 OE1 GLU A 87 -21.219 0.696 17.497 1.00 0.00 O ATOM 1257 OE2 GLU A 87 -19.904 0.161 15.820 1.00 0.00 O ATOM 0 H GLU A 87 -21.779 -3.198 14.395 1.00 0.00 H new ATOM 0 HA GLU A 87 -20.587 -2.127 16.637 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -23.359 -2.181 15.487 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -23.174 -1.568 17.118 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -21.955 -0.493 14.569 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -23.047 0.317 15.674 1.00 0.00 H new ATOM 1264 N MET A 88 -21.720 -3.040 18.801 1.00 0.00 N ATOM 1265 CA MET A 88 -21.995 -3.795 20.018 1.00 0.00 C ATOM 1266 C MET A 88 -23.427 -4.320 20.020 1.00 0.00 C ATOM 1267 O MET A 88 -24.325 -3.703 19.449 1.00 0.00 O ATOM 1268 CB MET A 88 -21.757 -2.921 21.251 1.00 0.00 C ATOM 1269 CG MET A 88 -22.840 -1.878 21.473 1.00 0.00 C ATOM 1270 SD MET A 88 -24.315 -2.562 22.252 1.00 0.00 S ATOM 1271 CE MET A 88 -25.527 -1.308 21.842 1.00 0.00 C ATOM 0 H MET A 88 -21.467 -2.064 18.958 1.00 0.00 H new ATOM 0 HA MET A 88 -21.315 -4.646 20.049 1.00 0.00 H new ATOM 0 HB2 MET A 88 -21.692 -3.559 22.132 1.00 0.00 H new ATOM 0 HB3 MET A 88 -20.795 -2.419 21.150 1.00 0.00 H new ATOM 0 HG2 MET A 88 -22.444 -1.076 22.096 1.00 0.00 H new ATOM 0 HG3 MET A 88 -23.112 -1.434 20.516 1.00 0.00 H new ATOM 0 HE1 MET A 88 -26.314 -1.303 22.596 1.00 0.00 H new ATOM 0 HE2 MET A 88 -25.045 -0.331 21.814 1.00 0.00 H new ATOM 0 HE3 MET A 88 -25.961 -1.526 20.866 1.00 0.00 H new ATOM 1281 N MET A 89 -23.632 -5.463 20.666 1.00 0.00 N ATOM 1282 CA MET A 89 -24.956 -6.070 20.743 1.00 0.00 C ATOM 1283 C MET A 89 -25.784 -5.430 21.853 1.00 0.00 C ATOM 1284 O MET A 89 -25.359 -5.381 23.008 1.00 0.00 O ATOM 1285 CB MET A 89 -24.837 -7.577 20.984 1.00 0.00 C ATOM 1286 CG MET A 89 -24.007 -8.296 19.932 1.00 0.00 C ATOM 1287 SD MET A 89 -24.121 -10.090 20.066 1.00 0.00 S ATOM 1288 CE MET A 89 -25.205 -10.464 18.689 1.00 0.00 C ATOM 0 H MET A 89 -22.899 -5.987 21.143 1.00 0.00 H new ATOM 0 HA MET A 89 -25.462 -5.900 19.792 1.00 0.00 H new ATOM 0 HB2 MET A 89 -24.392 -7.746 21.964 1.00 0.00 H new ATOM 0 HB3 MET A 89 -25.836 -8.013 21.008 1.00 0.00 H new ATOM 0 HG2 MET A 89 -24.338 -7.988 18.940 1.00 0.00 H new ATOM 0 HG3 MET A 89 -22.964 -7.994 20.028 1.00 0.00 H new ATOM 0 HE1 MET A 89 -25.372 -11.540 18.639 1.00 0.00 H new ATOM 0 HE2 MET A 89 -26.159 -9.955 18.828 1.00 0.00 H new ATOM 0 HE3 MET A 89 -24.745 -10.125 17.761 1.00 0.00 H new ATOM 1298 N ASP A 90 -26.966 -4.942 21.496 1.00 0.00 N ATOM 1299 CA ASP A 90 -27.854 -4.305 22.463 1.00 0.00 C ATOM 1300 C ASP A 90 -28.037 -5.186 23.694 1.00 0.00 C ATOM 1301 O ASP A 90 -27.612 -6.341 23.711 1.00 0.00 O ATOM 1302 CB ASP A 90 -29.212 -4.012 21.824 1.00 0.00 C ATOM 1303 CG ASP A 90 -29.771 -5.207 21.078 1.00 0.00 C ATOM 1304 OD1 ASP A 90 -30.264 -6.143 21.742 1.00 0.00 O ATOM 1305 OD2 ASP A 90 -29.716 -5.208 19.830 1.00 0.00 O ATOM 0 H ASP A 90 -27.332 -4.975 20.545 1.00 0.00 H new ATOM 0 HA ASP A 90 -27.398 -3.366 22.775 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -29.917 -3.709 22.598 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -29.113 -3.172 21.136 1.00 0.00 H new ATOM 1310 N GLN A 91 -28.671 -4.632 24.723 1.00 0.00 N ATOM 1311 CA GLN A 91 -28.908 -5.368 25.959 1.00 0.00 C ATOM 1312 C GLN A 91 -30.144 -4.838 26.679 1.00 0.00 C ATOM 1313 O GLN A 91 -30.299 -3.630 26.861 1.00 0.00 O ATOM 1314 CB GLN A 91 -27.688 -5.271 26.877 1.00 0.00 C ATOM 1315 CG GLN A 91 -27.336 -3.847 27.273 1.00 0.00 C ATOM 1316 CD GLN A 91 -25.906 -3.713 27.760 1.00 0.00 C ATOM 1317 OE1 GLN A 91 -25.339 -4.650 28.322 1.00 0.00 O ATOM 1318 NE2 GLN A 91 -25.315 -2.544 27.546 1.00 0.00 N ATOM 0 H GLN A 91 -29.029 -3.677 24.725 1.00 0.00 H new ATOM 0 HA GLN A 91 -29.079 -6.414 25.703 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -27.875 -5.854 27.779 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -26.831 -5.723 26.377 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -27.488 -3.188 26.418 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -28.016 -3.513 28.057 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -25.823 -1.794 27.076 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -24.353 -2.395 27.851 1.00 0.00 H new ATOM 1327 N SER A 92 -31.022 -5.749 27.087 1.00 0.00 N ATOM 1328 CA SER A 92 -32.246 -5.373 27.784 1.00 0.00 C ATOM 1329 C SER A 92 -31.945 -4.933 29.213 1.00 0.00 C ATOM 1330 O SER A 92 -32.414 -3.890 29.665 1.00 0.00 O ATOM 1331 CB SER A 92 -33.231 -6.544 27.795 1.00 0.00 C ATOM 1332 OG SER A 92 -34.556 -6.093 28.021 1.00 0.00 O ATOM 0 H SER A 92 -30.908 -6.753 26.947 1.00 0.00 H new ATOM 0 HA SER A 92 -32.695 -4.534 27.252 1.00 0.00 H new ATOM 0 HB2 SER A 92 -33.181 -7.074 26.844 1.00 0.00 H new ATOM 0 HB3 SER A 92 -32.948 -7.255 28.572 1.00 0.00 H new ATOM 0 HG SER A 92 -35.167 -6.859 28.022 1.00 0.00 H new ATOM 1338 N GLY A 93 -31.158 -5.739 29.920 1.00 0.00 N ATOM 1339 CA GLY A 93 -30.806 -5.417 31.291 1.00 0.00 C ATOM 1340 C GLY A 93 -29.471 -4.707 31.396 1.00 0.00 C ATOM 1341 O GLY A 93 -28.810 -4.431 30.395 1.00 0.00 O ATOM 0 H GLY A 93 -30.758 -6.609 29.568 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -31.584 -4.788 31.724 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -30.773 -6.334 31.879 1.00 0.00 H new ATOM 1345 N PRO A 94 -29.057 -4.398 32.634 1.00 0.00 N ATOM 1346 CA PRO A 94 -27.788 -3.711 32.895 1.00 0.00 C ATOM 1347 C PRO A 94 -26.580 -4.594 32.605 1.00 0.00 C ATOM 1348 O PRO A 94 -25.606 -4.150 31.996 1.00 0.00 O ATOM 1349 CB PRO A 94 -27.864 -3.382 34.388 1.00 0.00 C ATOM 1350 CG PRO A 94 -28.790 -4.403 34.954 1.00 0.00 C ATOM 1351 CD PRO A 94 -29.794 -4.696 33.873 1.00 0.00 C ATOM 0 HA PRO A 94 -27.659 -2.836 32.257 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -26.881 -3.436 34.856 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -28.240 -2.372 34.552 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -28.249 -5.305 35.239 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -29.281 -4.029 35.852 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -30.126 -5.734 33.903 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -30.683 -4.074 33.971 1.00 0.00 H new ATOM 1359 N SER A 95 -26.649 -5.847 33.044 1.00 0.00 N ATOM 1360 CA SER A 95 -25.558 -6.792 32.834 1.00 0.00 C ATOM 1361 C SER A 95 -26.071 -8.228 32.865 1.00 0.00 C ATOM 1362 O SER A 95 -27.211 -8.484 33.252 1.00 0.00 O ATOM 1363 CB SER A 95 -24.477 -6.600 33.899 1.00 0.00 C ATOM 1364 OG SER A 95 -23.517 -5.644 33.486 1.00 0.00 O ATOM 0 H SER A 95 -27.449 -6.231 33.547 1.00 0.00 H new ATOM 0 HA SER A 95 -25.127 -6.600 31.851 1.00 0.00 H new ATOM 0 HB2 SER A 95 -24.936 -6.278 34.834 1.00 0.00 H new ATOM 0 HB3 SER A 95 -23.985 -7.552 34.097 1.00 0.00 H new ATOM 0 HG SER A 95 -23.947 -4.974 32.915 1.00 0.00 H new ATOM 1370 N SER A 96 -25.219 -9.163 32.455 1.00 0.00 N ATOM 1371 CA SER A 96 -25.586 -10.574 32.432 1.00 0.00 C ATOM 1372 C SER A 96 -26.120 -11.019 33.790 1.00 0.00 C ATOM 1373 O SER A 96 -27.170 -11.654 33.878 1.00 0.00 O ATOM 1374 CB SER A 96 -24.379 -11.430 32.041 1.00 0.00 C ATOM 1375 OG SER A 96 -23.261 -11.140 32.862 1.00 0.00 O ATOM 0 H SER A 96 -24.270 -8.969 32.134 1.00 0.00 H new ATOM 0 HA SER A 96 -26.373 -10.707 31.690 1.00 0.00 H new ATOM 0 HB2 SER A 96 -24.634 -12.486 32.129 1.00 0.00 H new ATOM 0 HB3 SER A 96 -24.124 -11.249 30.997 1.00 0.00 H new ATOM 0 HG SER A 96 -22.504 -11.701 32.593 1.00 0.00 H new ATOM 1381 N GLY A 97 -25.389 -10.679 34.847 1.00 0.00 N ATOM 1382 CA GLY A 97 -25.805 -11.051 36.187 1.00 0.00 C ATOM 1383 C GLY A 97 -27.277 -10.785 36.432 1.00 0.00 C ATOM 1384 O GLY A 97 -27.682 -9.640 36.633 1.00 0.00 O ATOM 0 H GLY A 97 -24.516 -10.153 34.800 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -25.599 -12.109 36.348 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -25.213 -10.497 36.915 1.00 0.00 H new TER 1388 GLY A 97