USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 531 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 2 SER OG : rot 180:sc= -0.115 USER MOD Set 1.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.106 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -179:sc= 0 (180deg=-0.00182) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.407 X(o=-0.41,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.843 K(o=-0.84,f=-3.6!) USER MOD Single : A 28 THR OG1 : rot -77:sc= 0.2 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -37:sc= 0.558 USER MOD Single : A 39 ASN : amide:sc= -6.46! K(o=-6.5!,f=-1) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.903 K(o=-0.9,f=-9.5!) USER MOD Single : A 52 ASN : amide:sc= 0.479 K(o=0.48,f=-4.7!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -3.06 K(o=-3.1,f=-9.7!) USER MOD Single : A 61 THR OG1 : rot -82:sc= 1.06 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -2.06 K(o=-2.1,f=-0.47) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.905 32.193 -6.300 1.00 0.00 N ATOM 2 CA GLY A 1 13.197 32.677 -6.750 1.00 0.00 C ATOM 3 C GLY A 1 13.506 32.266 -8.175 1.00 0.00 C ATOM 4 O GLY A 1 13.253 33.020 -9.115 1.00 0.00 O ATOM 0 H1 GLY A 1 11.741 32.501 -5.320 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.158 32.577 -6.913 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.889 31.154 -6.344 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.220 33.764 -6.676 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.975 32.296 -6.088 1.00 0.00 H new ATOM 8 N SER A 2 14.056 31.067 -8.338 1.00 0.00 N ATOM 9 CA SER A 2 14.406 30.559 -9.659 1.00 0.00 C ATOM 10 C SER A 2 13.162 30.090 -10.408 1.00 0.00 C ATOM 11 O SER A 2 12.973 30.409 -11.582 1.00 0.00 O ATOM 12 CB SER A 2 15.406 29.407 -9.538 1.00 0.00 C ATOM 13 OG SER A 2 14.818 28.287 -8.899 1.00 0.00 O ATOM 0 H SER A 2 14.269 30.429 -7.571 1.00 0.00 H new ATOM 0 HA SER A 2 14.865 31.371 -10.223 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.758 29.121 -10.529 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.278 29.736 -8.973 1.00 0.00 H new ATOM 0 HG SER A 2 15.476 27.564 -8.835 1.00 0.00 H new ATOM 19 N SER A 3 12.315 29.332 -9.719 1.00 0.00 N ATOM 20 CA SER A 3 11.090 28.815 -10.319 1.00 0.00 C ATOM 21 C SER A 3 10.035 28.544 -9.250 1.00 0.00 C ATOM 22 O SER A 3 10.276 28.740 -8.060 1.00 0.00 O ATOM 23 CB SER A 3 11.382 27.533 -11.101 1.00 0.00 C ATOM 24 OG SER A 3 12.331 26.727 -10.425 1.00 0.00 O ATOM 0 H SER A 3 12.454 29.062 -8.745 1.00 0.00 H new ATOM 0 HA SER A 3 10.703 29.569 -11.004 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.459 26.971 -11.242 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.756 27.786 -12.093 1.00 0.00 H new ATOM 0 HG SER A 3 12.499 25.913 -10.945 1.00 0.00 H new ATOM 30 N GLY A 4 8.864 28.090 -9.686 1.00 0.00 N ATOM 31 CA GLY A 4 7.789 27.798 -8.756 1.00 0.00 C ATOM 32 C GLY A 4 7.485 26.316 -8.667 1.00 0.00 C ATOM 33 O GLY A 4 6.511 25.839 -9.250 1.00 0.00 O ATOM 0 H GLY A 4 8.641 27.919 -10.666 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.057 28.171 -7.767 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.890 28.332 -9.065 1.00 0.00 H new ATOM 37 N SER A 5 8.321 25.585 -7.938 1.00 0.00 N ATOM 38 CA SER A 5 8.139 24.146 -7.779 1.00 0.00 C ATOM 39 C SER A 5 6.752 23.831 -7.228 1.00 0.00 C ATOM 40 O SER A 5 6.252 24.524 -6.342 1.00 0.00 O ATOM 41 CB SER A 5 9.212 23.575 -6.850 1.00 0.00 C ATOM 42 OG SER A 5 9.127 24.151 -5.558 1.00 0.00 O ATOM 0 H SER A 5 9.131 25.964 -7.448 1.00 0.00 H new ATOM 0 HA SER A 5 8.234 23.682 -8.761 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.097 22.494 -6.778 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.200 23.763 -7.271 1.00 0.00 H new ATOM 0 HG SER A 5 9.822 23.768 -4.983 1.00 0.00 H new ATOM 48 N SER A 6 6.136 22.781 -7.760 1.00 0.00 N ATOM 49 CA SER A 6 4.804 22.374 -7.325 1.00 0.00 C ATOM 50 C SER A 6 4.591 20.881 -7.552 1.00 0.00 C ATOM 51 O SER A 6 4.497 20.422 -8.690 1.00 0.00 O ATOM 52 CB SER A 6 3.735 23.174 -8.072 1.00 0.00 C ATOM 53 OG SER A 6 3.916 24.567 -7.885 1.00 0.00 O ATOM 0 H SER A 6 6.537 22.196 -8.493 1.00 0.00 H new ATOM 0 HA SER A 6 4.719 22.576 -6.257 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.777 22.938 -9.135 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.746 22.882 -7.720 1.00 0.00 H new ATOM 0 HG SER A 6 3.221 25.056 -8.374 1.00 0.00 H new ATOM 59 N GLY A 7 4.515 20.127 -6.459 1.00 0.00 N ATOM 60 CA GLY A 7 4.313 18.694 -6.560 1.00 0.00 C ATOM 61 C GLY A 7 3.303 18.178 -5.554 1.00 0.00 C ATOM 62 O GLY A 7 3.203 18.699 -4.443 1.00 0.00 O ATOM 0 H GLY A 7 4.590 20.483 -5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.976 18.448 -7.567 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.265 18.185 -6.409 1.00 0.00 H new ATOM 66 N MET A 8 2.551 17.154 -5.944 1.00 0.00 N ATOM 67 CA MET A 8 1.543 16.569 -5.067 1.00 0.00 C ATOM 68 C MET A 8 2.185 15.625 -4.055 1.00 0.00 C ATOM 69 O MET A 8 2.970 14.750 -4.419 1.00 0.00 O ATOM 70 CB MET A 8 0.495 15.817 -5.890 1.00 0.00 C ATOM 71 CG MET A 8 -0.456 16.732 -6.643 1.00 0.00 C ATOM 72 SD MET A 8 -1.588 15.826 -7.716 1.00 0.00 S ATOM 73 CE MET A 8 -1.613 16.890 -9.157 1.00 0.00 C ATOM 0 H MET A 8 2.620 16.712 -6.861 1.00 0.00 H new ATOM 0 HA MET A 8 1.056 17.379 -4.524 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.002 15.167 -6.603 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.082 15.173 -5.227 1.00 0.00 H new ATOM 0 HG2 MET A 8 -1.032 17.319 -5.928 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.121 17.436 -7.242 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.272 16.463 -9.913 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.977 17.878 -8.874 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.605 16.978 -9.562 1.00 0.00 H new ATOM 83 N ALA A 9 1.845 15.809 -2.783 1.00 0.00 N ATOM 84 CA ALA A 9 2.387 14.972 -1.719 1.00 0.00 C ATOM 85 C ALA A 9 1.309 14.069 -1.129 1.00 0.00 C ATOM 86 O ALA A 9 0.480 14.511 -0.334 1.00 0.00 O ATOM 87 CB ALA A 9 3.007 15.837 -0.632 1.00 0.00 C ATOM 0 H ALA A 9 1.197 16.530 -2.465 1.00 0.00 H new ATOM 0 HA ALA A 9 3.162 14.337 -2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.408 15.199 0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.812 16.436 -1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.246 16.496 -0.214 1.00 0.00 H new ATOM 93 N THR A 10 1.327 12.799 -1.524 1.00 0.00 N ATOM 94 CA THR A 10 0.350 11.834 -1.035 1.00 0.00 C ATOM 95 C THR A 10 1.013 10.503 -0.699 1.00 0.00 C ATOM 96 O THR A 10 1.898 10.039 -1.418 1.00 0.00 O ATOM 97 CB THR A 10 -0.766 11.591 -2.069 1.00 0.00 C ATOM 98 OG1 THR A 10 -1.281 12.843 -2.537 1.00 0.00 O ATOM 99 CG2 THR A 10 -1.893 10.768 -1.465 1.00 0.00 C ATOM 0 H THR A 10 2.007 12.416 -2.181 1.00 0.00 H new ATOM 0 HA THR A 10 -0.088 12.258 -0.131 1.00 0.00 H new ATOM 0 HB THR A 10 -0.341 11.037 -2.906 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.989 12.680 -3.195 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.669 10.609 -2.214 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.504 9.804 -1.136 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.315 11.299 -0.612 1.00 0.00 H new ATOM 107 N LYS A 11 0.581 9.893 0.399 1.00 0.00 N ATOM 108 CA LYS A 11 1.131 8.614 0.831 1.00 0.00 C ATOM 109 C LYS A 11 0.017 7.609 1.109 1.00 0.00 C ATOM 110 O LYS A 11 -1.149 7.979 1.234 1.00 0.00 O ATOM 111 CB LYS A 11 1.988 8.801 2.085 1.00 0.00 C ATOM 112 CG LYS A 11 3.111 9.809 1.909 1.00 0.00 C ATOM 113 CD LYS A 11 4.296 9.484 2.802 1.00 0.00 C ATOM 114 CE LYS A 11 5.440 10.463 2.588 1.00 0.00 C ATOM 115 NZ LYS A 11 6.582 10.191 3.504 1.00 0.00 N ATOM 0 H LYS A 11 -0.149 10.264 1.007 1.00 0.00 H new ATOM 0 HA LYS A 11 1.755 8.225 0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.349 9.122 2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.415 7.840 2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.431 9.820 0.867 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.743 10.809 2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.984 9.510 3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.640 8.470 2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.781 10.402 1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.082 11.480 2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.341 10.880 3.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.263 10.274 4.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.941 9.229 3.336 1.00 0.00 H new ATOM 129 N ALA A 12 0.386 6.336 1.207 1.00 0.00 N ATOM 130 CA ALA A 12 -0.581 5.278 1.474 1.00 0.00 C ATOM 131 C ALA A 12 0.049 4.149 2.282 1.00 0.00 C ATOM 132 O ALA A 12 1.206 3.788 2.065 1.00 0.00 O ATOM 133 CB ALA A 12 -1.150 4.742 0.169 1.00 0.00 C ATOM 0 H ALA A 12 1.348 6.012 1.105 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.393 5.702 2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.871 3.953 0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.646 5.549 -0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.342 4.340 -0.442 1.00 0.00 H new ATOM 139 N ARG A 13 -0.718 3.595 3.215 1.00 0.00 N ATOM 140 CA ARG A 13 -0.234 2.508 4.056 1.00 0.00 C ATOM 141 C ARG A 13 -0.724 1.159 3.538 1.00 0.00 C ATOM 142 O ARG A 13 -1.891 1.007 3.178 1.00 0.00 O ATOM 143 CB ARG A 13 -0.695 2.709 5.501 1.00 0.00 C ATOM 144 CG ARG A 13 0.111 1.912 6.514 1.00 0.00 C ATOM 145 CD ARG A 13 -0.462 2.052 7.916 1.00 0.00 C ATOM 146 NE ARG A 13 0.093 3.204 8.621 1.00 0.00 N ATOM 147 CZ ARG A 13 0.020 3.365 9.938 1.00 0.00 C ATOM 148 NH1 ARG A 13 -0.580 2.451 10.688 1.00 0.00 N ATOM 149 NH2 ARG A 13 0.548 4.440 10.507 1.00 0.00 N ATOM 0 H ARG A 13 -1.678 3.882 3.407 1.00 0.00 H new ATOM 0 HA ARG A 13 0.856 2.516 4.024 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.630 3.768 5.750 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.745 2.426 5.581 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.120 0.861 6.227 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.146 2.254 6.507 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.546 2.151 7.856 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.255 1.145 8.484 1.00 0.00 H new ATOM 0 HE ARG A 13 0.562 3.925 8.073 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.987 1.622 10.254 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.635 2.577 11.699 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.011 5.145 9.934 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.491 4.562 11.518 1.00 0.00 H new ATOM 163 N VAL A 14 0.177 0.182 3.502 1.00 0.00 N ATOM 164 CA VAL A 14 -0.164 -1.154 3.029 1.00 0.00 C ATOM 165 C VAL A 14 -0.778 -1.993 4.144 1.00 0.00 C ATOM 166 O VAL A 14 -0.085 -2.415 5.070 1.00 0.00 O ATOM 167 CB VAL A 14 1.073 -1.885 2.474 1.00 0.00 C ATOM 168 CG1 VAL A 14 0.732 -3.326 2.127 1.00 0.00 C ATOM 169 CG2 VAL A 14 1.624 -1.152 1.260 1.00 0.00 C ATOM 0 H VAL A 14 1.148 0.291 3.795 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.894 -1.029 2.229 1.00 0.00 H new ATOM 0 HB VAL A 14 1.843 -1.895 3.245 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.618 -3.826 1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.388 -3.844 3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.055 -3.342 1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.498 -1.682 0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.860 -1.109 0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.909 -0.139 1.545 1.00 0.00 H new ATOM 179 N MET A 15 -2.082 -2.230 4.049 1.00 0.00 N ATOM 180 CA MET A 15 -2.789 -3.021 5.050 1.00 0.00 C ATOM 181 C MET A 15 -2.465 -4.504 4.900 1.00 0.00 C ATOM 182 O MET A 15 -2.563 -5.270 5.858 1.00 0.00 O ATOM 183 CB MET A 15 -4.299 -2.802 4.929 1.00 0.00 C ATOM 184 CG MET A 15 -4.677 -1.385 4.532 1.00 0.00 C ATOM 185 SD MET A 15 -6.382 -0.977 4.954 1.00 0.00 S ATOM 186 CE MET A 15 -7.213 -1.354 3.413 1.00 0.00 C ATOM 0 H MET A 15 -2.670 -1.886 3.290 1.00 0.00 H new ATOM 0 HA MET A 15 -2.459 -2.694 6.036 1.00 0.00 H new ATOM 0 HB2 MET A 15 -4.701 -3.497 4.191 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.770 -3.042 5.882 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.006 -0.682 5.026 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.533 -1.262 3.459 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.276 -1.135 3.510 1.00 0.00 H new ATOM 0 HE2 MET A 15 -6.789 -0.747 2.613 1.00 0.00 H new ATOM 0 HE3 MET A 15 -7.080 -2.410 3.177 1.00 0.00 H new ATOM 196 N TYR A 16 -2.080 -4.901 3.692 1.00 0.00 N ATOM 197 CA TYR A 16 -1.744 -6.293 3.417 1.00 0.00 C ATOM 198 C TYR A 16 -0.720 -6.394 2.291 1.00 0.00 C ATOM 199 O TYR A 16 -0.857 -5.747 1.252 1.00 0.00 O ATOM 200 CB TYR A 16 -3.003 -7.080 3.049 1.00 0.00 C ATOM 201 CG TYR A 16 -4.251 -6.587 3.746 1.00 0.00 C ATOM 202 CD1 TYR A 16 -4.449 -6.815 5.102 1.00 0.00 C ATOM 203 CD2 TYR A 16 -5.231 -5.893 3.048 1.00 0.00 C ATOM 204 CE1 TYR A 16 -5.588 -6.367 5.742 1.00 0.00 C ATOM 205 CE2 TYR A 16 -6.373 -5.440 3.681 1.00 0.00 C ATOM 206 CZ TYR A 16 -6.547 -5.680 5.028 1.00 0.00 C ATOM 207 OH TYR A 16 -7.682 -5.231 5.663 1.00 0.00 O ATOM 0 H TYR A 16 -1.993 -4.279 2.888 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.307 -6.720 4.320 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.153 -7.025 1.971 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.850 -8.130 3.296 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.700 -7.352 5.665 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.098 -5.704 1.993 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.727 -6.554 6.797 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.125 -4.901 3.124 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.255 -4.766 5.018 1.00 0.00 H new ATOM 217 N ASP A 17 0.306 -7.211 2.505 1.00 0.00 N ATOM 218 CA ASP A 17 1.354 -7.399 1.508 1.00 0.00 C ATOM 219 C ASP A 17 0.761 -7.837 0.172 1.00 0.00 C ATOM 220 O ASP A 17 0.024 -8.820 0.101 1.00 0.00 O ATOM 221 CB ASP A 17 2.368 -8.436 1.993 1.00 0.00 C ATOM 222 CG ASP A 17 1.722 -9.765 2.330 1.00 0.00 C ATOM 223 OD1 ASP A 17 1.290 -9.939 3.489 1.00 0.00 O ATOM 224 OD2 ASP A 17 1.647 -10.632 1.434 1.00 0.00 O ATOM 0 H ASP A 17 0.434 -7.753 3.359 1.00 0.00 H new ATOM 0 HA ASP A 17 1.861 -6.445 1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.124 -8.588 1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.883 -8.052 2.874 1.00 0.00 H new ATOM 229 N PHE A 18 1.086 -7.099 -0.884 1.00 0.00 N ATOM 230 CA PHE A 18 0.584 -7.409 -2.217 1.00 0.00 C ATOM 231 C PHE A 18 1.713 -7.891 -3.125 1.00 0.00 C ATOM 232 O PHE A 18 2.253 -7.125 -3.922 1.00 0.00 O ATOM 233 CB PHE A 18 -0.088 -6.179 -2.831 1.00 0.00 C ATOM 234 CG PHE A 18 -0.539 -6.387 -4.249 1.00 0.00 C ATOM 235 CD1 PHE A 18 -1.582 -7.252 -4.539 1.00 0.00 C ATOM 236 CD2 PHE A 18 0.082 -5.719 -5.292 1.00 0.00 C ATOM 237 CE1 PHE A 18 -1.999 -7.445 -5.842 1.00 0.00 C ATOM 238 CE2 PHE A 18 -0.331 -5.908 -6.597 1.00 0.00 C ATOM 239 CZ PHE A 18 -1.372 -6.773 -6.873 1.00 0.00 C ATOM 0 H PHE A 18 1.695 -6.282 -0.842 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.151 -8.208 -2.124 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.948 -5.903 -2.221 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.608 -5.341 -2.799 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.075 -7.782 -3.737 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.898 -5.043 -5.083 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.814 -8.121 -6.054 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.160 -5.380 -7.401 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.695 -6.923 -7.893 1.00 0.00 H new ATOM 249 N ALA A 19 2.063 -9.167 -2.996 1.00 0.00 N ATOM 250 CA ALA A 19 3.125 -9.753 -3.804 1.00 0.00 C ATOM 251 C ALA A 19 2.847 -9.569 -5.292 1.00 0.00 C ATOM 252 O ALA A 19 2.113 -10.350 -5.897 1.00 0.00 O ATOM 253 CB ALA A 19 3.287 -11.229 -3.474 1.00 0.00 C ATOM 0 H ALA A 19 1.626 -9.814 -2.340 1.00 0.00 H new ATOM 0 HA ALA A 19 4.055 -9.236 -3.568 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.084 -11.653 -4.085 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.540 -11.340 -2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.354 -11.753 -3.680 1.00 0.00 H new ATOM 259 N ALA A 20 3.438 -8.532 -5.877 1.00 0.00 N ATOM 260 CA ALA A 20 3.254 -8.248 -7.294 1.00 0.00 C ATOM 261 C ALA A 20 4.357 -8.888 -8.130 1.00 0.00 C ATOM 262 O ALA A 20 5.521 -8.902 -7.731 1.00 0.00 O ATOM 263 CB ALA A 20 3.216 -6.745 -7.530 1.00 0.00 C ATOM 0 H ALA A 20 4.048 -7.875 -5.391 1.00 0.00 H new ATOM 0 HA ALA A 20 2.302 -8.678 -7.605 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.078 -6.547 -8.593 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.389 -6.309 -6.969 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.154 -6.301 -7.197 1.00 0.00 H new ATOM 269 N GLU A 21 3.983 -9.418 -9.290 1.00 0.00 N ATOM 270 CA GLU A 21 4.941 -10.062 -10.180 1.00 0.00 C ATOM 271 C GLU A 21 5.655 -9.030 -11.049 1.00 0.00 C ATOM 272 O GLU A 21 5.058 -8.065 -11.528 1.00 0.00 O ATOM 273 CB GLU A 21 4.237 -11.091 -11.067 1.00 0.00 C ATOM 274 CG GLU A 21 5.121 -12.262 -11.461 1.00 0.00 C ATOM 275 CD GLU A 21 4.328 -13.437 -11.999 1.00 0.00 C ATOM 276 OE1 GLU A 21 3.240 -13.718 -11.455 1.00 0.00 O ATOM 277 OE2 GLU A 21 4.797 -14.075 -12.965 1.00 0.00 O ATOM 0 H GLU A 21 3.023 -9.414 -9.635 1.00 0.00 H new ATOM 0 HA GLU A 21 5.683 -10.571 -9.565 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.359 -11.470 -10.543 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.880 -10.596 -11.970 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.836 -11.935 -12.216 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.698 -12.584 -10.594 1.00 0.00 H new ATOM 284 N PRO A 22 6.963 -9.236 -11.258 1.00 0.00 N ATOM 285 CA PRO A 22 7.787 -8.335 -12.069 1.00 0.00 C ATOM 286 C PRO A 22 7.439 -8.409 -13.552 1.00 0.00 C ATOM 287 O PRO A 22 7.907 -9.295 -14.266 1.00 0.00 O ATOM 288 CB PRO A 22 9.211 -8.842 -11.828 1.00 0.00 C ATOM 289 CG PRO A 22 9.045 -10.276 -11.460 1.00 0.00 C ATOM 290 CD PRO A 22 7.740 -10.365 -10.718 1.00 0.00 C ATOM 0 HA PRO A 22 7.640 -7.291 -11.794 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.827 -8.731 -12.720 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.701 -8.283 -11.031 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.033 -10.908 -12.348 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.872 -10.617 -10.837 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.241 -11.318 -10.895 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.883 -10.276 -9.641 1.00 0.00 H new ATOM 298 N GLY A 23 6.615 -7.471 -14.010 1.00 0.00 N ATOM 299 CA GLY A 23 6.218 -7.449 -15.405 1.00 0.00 C ATOM 300 C GLY A 23 4.767 -7.052 -15.590 1.00 0.00 C ATOM 301 O GLY A 23 4.400 -6.474 -16.612 1.00 0.00 O ATOM 0 H GLY A 23 6.216 -6.726 -13.439 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.854 -6.751 -15.949 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.380 -8.435 -15.841 1.00 0.00 H new ATOM 305 N ASN A 24 3.939 -7.363 -14.598 1.00 0.00 N ATOM 306 CA ASN A 24 2.519 -7.037 -14.656 1.00 0.00 C ATOM 307 C ASN A 24 2.279 -5.581 -14.268 1.00 0.00 C ATOM 308 O ASN A 24 1.148 -5.178 -14.001 1.00 0.00 O ATOM 309 CB ASN A 24 1.724 -7.961 -13.732 1.00 0.00 C ATOM 310 CG ASN A 24 1.282 -9.234 -14.428 1.00 0.00 C ATOM 311 OD1 ASN A 24 0.308 -9.236 -15.182 1.00 0.00 O ATOM 312 ND2 ASN A 24 1.997 -10.324 -14.177 1.00 0.00 N ATOM 0 H ASN A 24 4.227 -7.841 -13.744 1.00 0.00 H new ATOM 0 HA ASN A 24 2.180 -7.182 -15.682 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.334 -8.217 -12.866 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.848 -7.431 -13.359 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.747 -11.210 -14.616 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.796 -10.275 -13.545 1.00 0.00 H new ATOM 319 N ASN A 25 3.352 -4.797 -14.240 1.00 0.00 N ATOM 320 CA ASN A 25 3.258 -3.386 -13.885 1.00 0.00 C ATOM 321 C ASN A 25 2.704 -3.216 -12.473 1.00 0.00 C ATOM 322 O ASN A 25 1.825 -2.388 -12.237 1.00 0.00 O ATOM 323 CB ASN A 25 2.369 -2.644 -14.886 1.00 0.00 C ATOM 324 CG ASN A 25 2.673 -1.159 -14.939 1.00 0.00 C ATOM 325 OD1 ASN A 25 1.907 -0.339 -14.432 1.00 0.00 O ATOM 326 ND2 ASN A 25 3.795 -0.807 -15.555 1.00 0.00 N ATOM 0 H ASN A 25 4.296 -5.115 -14.459 1.00 0.00 H new ATOM 0 HA ASN A 25 4.262 -2.962 -13.917 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.505 -3.076 -15.878 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.323 -2.789 -14.616 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.052 0.178 -15.623 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.400 -1.521 -15.961 1.00 0.00 H new ATOM 333 N GLU A 26 3.227 -4.005 -11.540 1.00 0.00 N ATOM 334 CA GLU A 26 2.784 -3.941 -10.152 1.00 0.00 C ATOM 335 C GLU A 26 3.975 -3.976 -9.199 1.00 0.00 C ATOM 336 O GLU A 26 4.893 -4.781 -9.363 1.00 0.00 O ATOM 337 CB GLU A 26 1.835 -5.101 -9.842 1.00 0.00 C ATOM 338 CG GLU A 26 0.547 -5.065 -10.646 1.00 0.00 C ATOM 339 CD GLU A 26 -0.418 -6.166 -10.252 1.00 0.00 C ATOM 340 OE1 GLU A 26 0.052 -7.270 -9.907 1.00 0.00 O ATOM 341 OE2 GLU A 26 -1.643 -5.924 -10.289 1.00 0.00 O ATOM 0 H GLU A 26 3.957 -4.695 -11.719 1.00 0.00 H new ATOM 0 HA GLU A 26 2.254 -2.999 -10.010 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.349 -6.042 -10.037 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.591 -5.086 -8.780 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.064 -4.098 -10.508 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.782 -5.156 -11.706 1.00 0.00 H new ATOM 348 N LEU A 27 3.954 -3.097 -8.203 1.00 0.00 N ATOM 349 CA LEU A 27 5.032 -3.026 -7.222 1.00 0.00 C ATOM 350 C LEU A 27 4.768 -3.969 -6.053 1.00 0.00 C ATOM 351 O LEU A 27 3.628 -4.134 -5.619 1.00 0.00 O ATOM 352 CB LEU A 27 5.189 -1.593 -6.711 1.00 0.00 C ATOM 353 CG LEU A 27 6.448 -1.306 -5.892 1.00 0.00 C ATOM 354 CD1 LEU A 27 7.672 -1.259 -6.793 1.00 0.00 C ATOM 355 CD2 LEU A 27 6.299 -0.001 -5.124 1.00 0.00 C ATOM 0 H LEU A 27 3.203 -2.424 -8.053 1.00 0.00 H new ATOM 0 HA LEU A 27 5.956 -3.334 -7.711 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.176 -0.920 -7.568 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.319 -1.349 -6.101 1.00 0.00 H new ATOM 0 HG LEU A 27 6.582 -2.114 -5.173 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.558 -1.054 -6.192 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.790 -2.218 -7.297 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.547 -0.471 -7.536 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.204 0.187 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.139 0.818 -5.826 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.446 -0.072 -4.449 1.00 0.00 H new ATOM 367 N THR A 28 5.831 -4.585 -5.544 1.00 0.00 N ATOM 368 CA THR A 28 5.715 -5.510 -4.425 1.00 0.00 C ATOM 369 C THR A 28 5.890 -4.788 -3.094 1.00 0.00 C ATOM 370 O THR A 28 6.938 -4.197 -2.830 1.00 0.00 O ATOM 371 CB THR A 28 6.754 -6.643 -4.522 1.00 0.00 C ATOM 372 OG1 THR A 28 6.747 -7.203 -5.840 1.00 0.00 O ATOM 373 CG2 THR A 28 6.464 -7.733 -3.501 1.00 0.00 C ATOM 0 H THR A 28 6.782 -4.459 -5.890 1.00 0.00 H new ATOM 0 HA THR A 28 4.714 -5.940 -4.473 1.00 0.00 H new ATOM 0 HB THR A 28 7.737 -6.223 -4.311 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.973 -7.796 -5.939 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.211 -8.522 -3.589 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.499 -7.310 -2.497 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.473 -8.149 -3.685 1.00 0.00 H new ATOM 381 N VAL A 29 4.858 -4.839 -2.257 1.00 0.00 N ATOM 382 CA VAL A 29 4.899 -4.191 -0.952 1.00 0.00 C ATOM 383 C VAL A 29 4.558 -5.175 0.161 1.00 0.00 C ATOM 384 O VAL A 29 4.277 -6.346 -0.094 1.00 0.00 O ATOM 385 CB VAL A 29 3.925 -3.000 -0.886 1.00 0.00 C ATOM 386 CG1 VAL A 29 4.394 -1.875 -1.796 1.00 0.00 C ATOM 387 CG2 VAL A 29 2.517 -3.442 -1.254 1.00 0.00 C ATOM 0 H VAL A 29 3.983 -5.323 -2.460 1.00 0.00 H new ATOM 0 HA VAL A 29 5.917 -3.827 -0.811 1.00 0.00 H new ATOM 0 HB VAL A 29 3.908 -2.624 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.693 -1.042 -1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.383 -1.541 -1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.443 -2.235 -2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.842 -2.588 -1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.515 -3.845 -2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.183 -4.211 -0.557 1.00 0.00 H new ATOM 397 N THR A 30 4.584 -4.691 1.399 1.00 0.00 N ATOM 398 CA THR A 30 4.278 -5.527 2.553 1.00 0.00 C ATOM 399 C THR A 30 3.466 -4.759 3.590 1.00 0.00 C ATOM 400 O THR A 30 3.291 -3.546 3.478 1.00 0.00 O ATOM 401 CB THR A 30 5.561 -6.062 3.216 1.00 0.00 C ATOM 402 OG1 THR A 30 5.277 -7.268 3.933 1.00 0.00 O ATOM 403 CG2 THR A 30 6.150 -5.029 4.165 1.00 0.00 C ATOM 0 H THR A 30 4.814 -3.724 1.628 1.00 0.00 H new ATOM 0 HA THR A 30 3.690 -6.368 2.186 1.00 0.00 H new ATOM 0 HB THR A 30 6.289 -6.270 2.432 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.099 -7.602 4.350 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.055 -5.429 4.622 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.393 -4.122 3.611 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.424 -4.795 4.944 1.00 0.00 H new ATOM 411 N GLU A 31 2.974 -5.473 4.597 1.00 0.00 N ATOM 412 CA GLU A 31 2.180 -4.856 5.654 1.00 0.00 C ATOM 413 C GLU A 31 3.021 -3.869 6.459 1.00 0.00 C ATOM 414 O GLU A 31 3.859 -4.266 7.268 1.00 0.00 O ATOM 415 CB GLU A 31 1.604 -5.928 6.581 1.00 0.00 C ATOM 416 CG GLU A 31 0.551 -5.400 7.541 1.00 0.00 C ATOM 417 CD GLU A 31 0.435 -6.238 8.799 1.00 0.00 C ATOM 418 OE1 GLU A 31 1.486 -6.595 9.372 1.00 0.00 O ATOM 419 OE2 GLU A 31 -0.705 -6.537 9.211 1.00 0.00 O ATOM 0 H GLU A 31 3.111 -6.478 4.704 1.00 0.00 H new ATOM 0 HA GLU A 31 1.359 -4.311 5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.167 -6.723 5.976 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.416 -6.374 7.155 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.796 -4.374 7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.415 -5.374 7.036 1.00 0.00 H new ATOM 426 N GLY A 32 2.789 -2.580 6.231 1.00 0.00 N ATOM 427 CA GLY A 32 3.532 -1.556 6.942 1.00 0.00 C ATOM 428 C GLY A 32 4.454 -0.770 6.031 1.00 0.00 C ATOM 429 O GLY A 32 5.163 0.130 6.481 1.00 0.00 O ATOM 0 H GLY A 32 2.100 -2.227 5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.833 -0.872 7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.119 -2.021 7.734 1.00 0.00 H new ATOM 433 N GLU A 33 4.444 -1.110 4.746 1.00 0.00 N ATOM 434 CA GLU A 33 5.288 -0.431 3.770 1.00 0.00 C ATOM 435 C GLU A 33 4.663 0.893 3.338 1.00 0.00 C ATOM 436 O GLU A 33 3.482 0.951 2.994 1.00 0.00 O ATOM 437 CB GLU A 33 5.513 -1.323 2.547 1.00 0.00 C ATOM 438 CG GLU A 33 6.649 -0.857 1.653 1.00 0.00 C ATOM 439 CD GLU A 33 7.328 -2.001 0.926 1.00 0.00 C ATOM 440 OE1 GLU A 33 7.576 -3.046 1.564 1.00 0.00 O ATOM 441 OE2 GLU A 33 7.610 -1.852 -0.281 1.00 0.00 O ATOM 0 H GLU A 33 3.861 -1.851 4.357 1.00 0.00 H new ATOM 0 HA GLU A 33 6.249 -0.224 4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.720 -2.339 2.882 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.594 -1.361 1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.263 -0.146 0.923 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.386 -0.326 2.256 1.00 0.00 H new ATOM 448 N ILE A 34 5.464 1.953 3.360 1.00 0.00 N ATOM 449 CA ILE A 34 4.990 3.276 2.971 1.00 0.00 C ATOM 450 C ILE A 34 5.526 3.670 1.599 1.00 0.00 C ATOM 451 O ILE A 34 6.719 3.538 1.327 1.00 0.00 O ATOM 452 CB ILE A 34 5.403 4.346 3.998 1.00 0.00 C ATOM 453 CG1 ILE A 34 4.710 4.092 5.339 1.00 0.00 C ATOM 454 CG2 ILE A 34 5.068 5.736 3.478 1.00 0.00 C ATOM 455 CD1 ILE A 34 3.216 4.325 5.301 1.00 0.00 C ATOM 0 H ILE A 34 6.444 1.922 3.643 1.00 0.00 H new ATOM 0 HA ILE A 34 3.902 3.223 2.932 1.00 0.00 H new ATOM 0 HB ILE A 34 6.481 4.286 4.150 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.902 3.065 5.649 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.152 4.741 6.096 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.366 6.482 4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.603 5.914 2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.995 5.809 3.301 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.792 4.126 6.285 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.016 5.360 5.022 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.762 3.658 4.568 1.00 0.00 H new ATOM 467 N ILE A 35 4.636 4.155 0.740 1.00 0.00 N ATOM 468 CA ILE A 35 5.021 4.572 -0.603 1.00 0.00 C ATOM 469 C ILE A 35 4.347 5.886 -0.985 1.00 0.00 C ATOM 470 O ILE A 35 3.407 6.329 -0.326 1.00 0.00 O ATOM 471 CB ILE A 35 4.662 3.501 -1.650 1.00 0.00 C ATOM 472 CG1 ILE A 35 3.144 3.326 -1.733 1.00 0.00 C ATOM 473 CG2 ILE A 35 5.334 2.179 -1.307 1.00 0.00 C ATOM 474 CD1 ILE A 35 2.712 2.252 -2.707 1.00 0.00 C ATOM 0 H ILE A 35 3.644 4.269 0.950 1.00 0.00 H new ATOM 0 HA ILE A 35 6.102 4.710 -0.593 1.00 0.00 H new ATOM 0 HB ILE A 35 5.025 3.830 -2.624 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.760 3.083 -0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.693 4.274 -2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.071 1.432 -2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.416 2.313 -1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.997 1.843 -0.326 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.624 2.183 -2.714 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.066 2.504 -3.707 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.134 1.294 -2.403 1.00 0.00 H new ATOM 486 N THR A 36 4.833 6.504 -2.057 1.00 0.00 N ATOM 487 CA THR A 36 4.278 7.766 -2.529 1.00 0.00 C ATOM 488 C THR A 36 3.249 7.537 -3.630 1.00 0.00 C ATOM 489 O THR A 36 3.538 6.898 -4.641 1.00 0.00 O ATOM 490 CB THR A 36 5.381 8.702 -3.059 1.00 0.00 C ATOM 491 OG1 THR A 36 6.328 8.980 -2.022 1.00 0.00 O ATOM 492 CG2 THR A 36 4.785 10.004 -3.571 1.00 0.00 C ATOM 0 H THR A 36 5.610 6.150 -2.615 1.00 0.00 H new ATOM 0 HA THR A 36 3.792 8.237 -1.674 1.00 0.00 H new ATOM 0 HB THR A 36 5.885 8.202 -3.886 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.027 9.574 -2.368 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.582 10.649 -3.940 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.087 9.791 -4.380 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.258 10.507 -2.760 1.00 0.00 H new ATOM 500 N VAL A 37 2.045 8.064 -3.428 1.00 0.00 N ATOM 501 CA VAL A 37 0.973 7.919 -4.405 1.00 0.00 C ATOM 502 C VAL A 37 1.010 9.044 -5.433 1.00 0.00 C ATOM 503 O VAL A 37 1.118 10.219 -5.082 1.00 0.00 O ATOM 504 CB VAL A 37 -0.409 7.906 -3.724 1.00 0.00 C ATOM 505 CG1 VAL A 37 -1.514 7.783 -4.761 1.00 0.00 C ATOM 506 CG2 VAL A 37 -0.491 6.777 -2.708 1.00 0.00 C ATOM 0 H VAL A 37 1.788 8.595 -2.596 1.00 0.00 H new ATOM 0 HA VAL A 37 1.131 6.965 -4.909 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.544 8.850 -3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.483 7.775 -4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.466 8.629 -5.446 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.387 6.856 -5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.474 6.783 -2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.335 5.823 -3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.277 6.916 -1.947 1.00 0.00 H new ATOM 516 N THR A 38 0.920 8.676 -6.708 1.00 0.00 N ATOM 517 CA THR A 38 0.943 9.653 -7.789 1.00 0.00 C ATOM 518 C THR A 38 -0.369 9.649 -8.563 1.00 0.00 C ATOM 519 O THR A 38 -0.976 10.696 -8.781 1.00 0.00 O ATOM 520 CB THR A 38 2.104 9.383 -8.765 1.00 0.00 C ATOM 521 OG1 THR A 38 2.000 8.056 -9.294 1.00 0.00 O ATOM 522 CG2 THR A 38 3.446 9.554 -8.071 1.00 0.00 C ATOM 0 H THR A 38 0.830 7.708 -7.017 1.00 0.00 H new ATOM 0 HA THR A 38 1.085 10.631 -7.328 1.00 0.00 H new ATOM 0 HB THR A 38 2.040 10.105 -9.579 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.670 7.451 -8.597 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.250 9.358 -8.780 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.534 10.573 -7.695 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.517 8.853 -7.239 1.00 0.00 H new ATOM 530 N ASN A 39 -0.803 8.462 -8.977 1.00 0.00 N ATOM 531 CA ASN A 39 -2.045 8.322 -9.728 1.00 0.00 C ATOM 532 C ASN A 39 -3.025 7.413 -8.992 1.00 0.00 C ATOM 533 O ASN A 39 -3.162 6.228 -9.299 1.00 0.00 O ATOM 534 CB ASN A 39 -1.761 7.761 -11.123 1.00 0.00 C ATOM 535 CG ASN A 39 -2.898 8.020 -12.092 1.00 0.00 C ATOM 536 OD1 ASN A 39 -3.188 9.167 -12.435 1.00 0.00 O ATOM 537 ND2 ASN A 39 -3.549 6.953 -12.540 1.00 0.00 N ATOM 0 H ASN A 39 -0.313 7.584 -8.805 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.495 9.310 -9.826 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.846 8.208 -11.512 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.586 6.688 -11.051 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.323 7.065 -13.195 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.275 6.021 -12.229 1.00 0.00 H new ATOM 544 N PRO A 40 -3.726 7.979 -7.999 1.00 0.00 N ATOM 545 CA PRO A 40 -4.707 7.239 -7.200 1.00 0.00 C ATOM 546 C PRO A 40 -5.952 6.875 -8.002 1.00 0.00 C ATOM 547 O PRO A 40 -6.736 6.020 -7.594 1.00 0.00 O ATOM 548 CB PRO A 40 -5.061 8.217 -6.077 1.00 0.00 C ATOM 549 CG PRO A 40 -4.781 9.565 -6.647 1.00 0.00 C ATOM 550 CD PRO A 40 -3.615 9.386 -7.579 1.00 0.00 C ATOM 0 HA PRO A 40 -4.309 6.288 -6.846 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -6.106 8.121 -5.783 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.461 8.031 -5.186 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.650 9.952 -7.179 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.545 10.280 -5.859 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.673 10.065 -8.430 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.667 9.582 -7.078 1.00 0.00 H new ATOM 558 N ASN A 41 -6.126 7.530 -9.145 1.00 0.00 N ATOM 559 CA ASN A 41 -7.276 7.275 -10.005 1.00 0.00 C ATOM 560 C ASN A 41 -6.834 6.716 -11.354 1.00 0.00 C ATOM 561 O ASN A 41 -6.895 7.403 -12.373 1.00 0.00 O ATOM 562 CB ASN A 41 -8.080 8.560 -10.211 1.00 0.00 C ATOM 563 CG ASN A 41 -8.819 8.988 -8.958 1.00 0.00 C ATOM 564 OD1 ASN A 41 -8.634 8.409 -7.887 1.00 0.00 O ATOM 565 ND2 ASN A 41 -9.662 10.006 -9.087 1.00 0.00 N ATOM 0 H ASN A 41 -5.485 8.241 -9.497 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.907 6.534 -9.515 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.408 9.359 -10.524 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.796 8.411 -11.019 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.188 10.338 -8.279 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.783 10.456 -9.994 1.00 0.00 H new ATOM 572 N VAL A 42 -6.389 5.463 -11.352 1.00 0.00 N ATOM 573 CA VAL A 42 -5.938 4.810 -12.575 1.00 0.00 C ATOM 574 C VAL A 42 -7.120 4.333 -13.411 1.00 0.00 C ATOM 575 O VAL A 42 -7.170 4.557 -14.620 1.00 0.00 O ATOM 576 CB VAL A 42 -5.024 3.609 -12.266 1.00 0.00 C ATOM 577 CG1 VAL A 42 -4.449 3.032 -13.550 1.00 0.00 C ATOM 578 CG2 VAL A 42 -3.913 4.018 -11.311 1.00 0.00 C ATOM 0 H VAL A 42 -6.331 4.880 -10.517 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.373 5.551 -13.140 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.620 2.835 -11.783 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.806 2.185 -13.312 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.262 2.701 -14.196 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.866 3.797 -14.064 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.277 3.158 -11.103 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.316 4.810 -11.764 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.349 4.380 -10.380 1.00 0.00 H new ATOM 588 N GLY A 43 -8.072 3.673 -12.758 1.00 0.00 N ATOM 589 CA GLY A 43 -9.242 3.174 -13.457 1.00 0.00 C ATOM 590 C GLY A 43 -9.743 1.862 -12.888 1.00 0.00 C ATOM 591 O GLY A 43 -9.009 0.875 -12.847 1.00 0.00 O ATOM 0 H GLY A 43 -8.054 3.475 -11.758 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.038 3.917 -13.403 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.002 3.041 -14.512 1.00 0.00 H new ATOM 595 N GLY A 44 -10.996 1.850 -12.445 1.00 0.00 N ATOM 596 CA GLY A 44 -11.572 0.643 -11.879 1.00 0.00 C ATOM 597 C GLY A 44 -11.413 0.577 -10.373 1.00 0.00 C ATOM 598 O GLY A 44 -12.289 0.073 -9.671 1.00 0.00 O ATOM 0 H GLY A 44 -11.623 2.654 -12.468 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.631 0.596 -12.132 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.098 -0.229 -12.330 1.00 0.00 H new ATOM 602 N GLY A 45 -10.290 1.085 -9.875 1.00 0.00 N ATOM 603 CA GLY A 45 -10.038 1.069 -8.445 1.00 0.00 C ATOM 604 C GLY A 45 -8.593 0.756 -8.114 1.00 0.00 C ATOM 605 O GLY A 45 -8.313 -0.010 -7.192 1.00 0.00 O ATOM 0 H GLY A 45 -9.550 1.507 -10.436 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.303 2.038 -8.022 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.684 0.328 -7.974 1.00 0.00 H new ATOM 609 N TRP A 46 -7.673 1.347 -8.869 1.00 0.00 N ATOM 610 CA TRP A 46 -6.248 1.124 -8.651 1.00 0.00 C ATOM 611 C TRP A 46 -5.523 2.443 -8.406 1.00 0.00 C ATOM 612 O TRP A 46 -6.103 3.519 -8.556 1.00 0.00 O ATOM 613 CB TRP A 46 -5.634 0.406 -9.854 1.00 0.00 C ATOM 614 CG TRP A 46 -6.125 -1.001 -10.020 1.00 0.00 C ATOM 615 CD1 TRP A 46 -7.393 -1.394 -10.341 1.00 0.00 C ATOM 616 CD2 TRP A 46 -5.356 -2.200 -9.871 1.00 0.00 C ATOM 617 NE1 TRP A 46 -7.459 -2.765 -10.400 1.00 0.00 N ATOM 618 CE2 TRP A 46 -6.222 -3.283 -10.117 1.00 0.00 C ATOM 619 CE3 TRP A 46 -4.021 -2.463 -9.555 1.00 0.00 C ATOM 620 CZ2 TRP A 46 -5.795 -4.606 -10.056 1.00 0.00 C ATOM 621 CZ3 TRP A 46 -3.598 -3.778 -9.495 1.00 0.00 C ATOM 622 CH2 TRP A 46 -4.482 -4.836 -9.745 1.00 0.00 C ATOM 0 H TRP A 46 -7.888 1.983 -9.637 1.00 0.00 H new ATOM 0 HA TRP A 46 -6.134 0.498 -7.766 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -5.859 0.971 -10.759 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.549 0.394 -9.747 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.222 -0.725 -10.522 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -8.293 -3.309 -10.619 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.332 -1.654 -9.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -6.476 -5.422 -10.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -2.568 -3.993 -9.251 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.121 -5.852 -9.691 1.00 0.00 H new ATOM 633 N LEU A 47 -4.252 2.352 -8.029 1.00 0.00 N ATOM 634 CA LEU A 47 -3.447 3.539 -7.763 1.00 0.00 C ATOM 635 C LEU A 47 -1.983 3.293 -8.112 1.00 0.00 C ATOM 636 O LEU A 47 -1.466 2.193 -7.919 1.00 0.00 O ATOM 637 CB LEU A 47 -3.572 3.946 -6.294 1.00 0.00 C ATOM 638 CG LEU A 47 -3.011 2.955 -5.273 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.530 3.211 -5.039 1.00 0.00 C ATOM 640 CD2 LEU A 47 -3.783 3.043 -3.964 1.00 0.00 C ATOM 0 H LEU A 47 -3.757 1.469 -7.901 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.820 4.349 -8.390 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.066 4.902 -6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.627 4.109 -6.071 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.126 1.947 -5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.148 2.497 -4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.988 3.096 -5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.391 4.224 -4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.370 2.331 -3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.700 4.052 -3.560 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.832 2.809 -4.144 1.00 0.00 H new ATOM 652 N GLU A 48 -1.320 4.326 -8.623 1.00 0.00 N ATOM 653 CA GLU A 48 0.086 4.221 -8.997 1.00 0.00 C ATOM 654 C GLU A 48 0.979 4.859 -7.937 1.00 0.00 C ATOM 655 O GLU A 48 0.878 6.054 -7.662 1.00 0.00 O ATOM 656 CB GLU A 48 0.327 4.888 -10.353 1.00 0.00 C ATOM 657 CG GLU A 48 1.614 4.445 -11.029 1.00 0.00 C ATOM 658 CD GLU A 48 1.587 4.658 -12.530 1.00 0.00 C ATOM 659 OE1 GLU A 48 1.058 5.699 -12.972 1.00 0.00 O ATOM 660 OE2 GLU A 48 2.097 3.784 -13.262 1.00 0.00 O ATOM 0 H GLU A 48 -1.733 5.244 -8.787 1.00 0.00 H new ATOM 0 HA GLU A 48 0.339 3.163 -9.071 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.514 4.668 -11.011 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.351 5.969 -10.217 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.452 4.996 -10.603 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.786 3.389 -10.818 1.00 0.00 H new ATOM 667 N GLY A 49 1.855 4.052 -7.346 1.00 0.00 N ATOM 668 CA GLY A 49 2.754 4.554 -6.323 1.00 0.00 C ATOM 669 C GLY A 49 4.211 4.306 -6.658 1.00 0.00 C ATOM 670 O GLY A 49 4.531 3.429 -7.462 1.00 0.00 O ATOM 0 H GLY A 49 1.958 3.059 -7.557 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.591 5.624 -6.194 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.517 4.079 -5.371 1.00 0.00 H new ATOM 674 N LYS A 50 5.099 5.080 -6.043 1.00 0.00 N ATOM 675 CA LYS A 50 6.530 4.940 -6.280 1.00 0.00 C ATOM 676 C LYS A 50 7.302 4.942 -4.964 1.00 0.00 C ATOM 677 O LYS A 50 7.118 5.823 -4.127 1.00 0.00 O ATOM 678 CB LYS A 50 7.032 6.073 -7.179 1.00 0.00 C ATOM 679 CG LYS A 50 8.504 5.959 -7.537 1.00 0.00 C ATOM 680 CD LYS A 50 8.911 7.004 -8.562 1.00 0.00 C ATOM 681 CE LYS A 50 9.149 8.359 -7.912 1.00 0.00 C ATOM 682 NZ LYS A 50 9.777 9.324 -8.856 1.00 0.00 N ATOM 0 H LYS A 50 4.852 5.811 -5.376 1.00 0.00 H new ATOM 0 HA LYS A 50 6.699 3.986 -6.779 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.444 6.085 -8.096 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.861 7.026 -6.678 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.108 6.076 -6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.708 4.963 -7.931 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.818 6.680 -9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.133 7.094 -9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.201 8.763 -7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.790 8.236 -7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.923 10.235 -8.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.694 8.951 -9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.154 9.462 -9.677 1.00 0.00 H new ATOM 696 N ASN A 51 8.168 3.949 -4.791 1.00 0.00 N ATOM 697 CA ASN A 51 8.969 3.837 -3.577 1.00 0.00 C ATOM 698 C ASN A 51 10.273 4.617 -3.711 1.00 0.00 C ATOM 699 O ASN A 51 10.657 5.019 -4.809 1.00 0.00 O ATOM 700 CB ASN A 51 9.270 2.367 -3.274 1.00 0.00 C ATOM 701 CG ASN A 51 9.992 1.678 -4.415 1.00 0.00 C ATOM 702 OD1 ASN A 51 10.627 2.327 -5.246 1.00 0.00 O ATOM 703 ND2 ASN A 51 9.897 0.354 -4.461 1.00 0.00 N ATOM 0 H ASN A 51 8.333 3.211 -5.475 1.00 0.00 H new ATOM 0 HA ASN A 51 8.396 4.262 -2.753 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.877 2.302 -2.371 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.337 1.843 -3.069 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.361 -0.165 -5.206 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.360 -0.144 -3.751 1.00 0.00 H new ATOM 710 N ASN A 52 10.949 4.827 -2.587 1.00 0.00 N ATOM 711 CA ASN A 52 12.210 5.560 -2.578 1.00 0.00 C ATOM 712 C ASN A 52 13.169 5.005 -3.628 1.00 0.00 C ATOM 713 O ASN A 52 13.858 5.758 -4.316 1.00 0.00 O ATOM 714 CB ASN A 52 12.856 5.489 -1.193 1.00 0.00 C ATOM 715 CG ASN A 52 11.899 5.891 -0.088 1.00 0.00 C ATOM 716 OD1 ASN A 52 10.797 5.353 0.020 1.00 0.00 O ATOM 717 ND2 ASN A 52 12.317 6.841 0.740 1.00 0.00 N ATOM 0 H ASN A 52 10.645 4.500 -1.670 1.00 0.00 H new ATOM 0 HA ASN A 52 11.998 6.602 -2.819 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.210 4.474 -1.012 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.729 6.141 -1.169 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.717 7.153 1.503 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.239 7.259 0.613 1.00 0.00 H new ATOM 724 N LYS A 53 13.207 3.682 -3.745 1.00 0.00 N ATOM 725 CA LYS A 53 14.079 3.024 -4.711 1.00 0.00 C ATOM 726 C LYS A 53 13.917 3.640 -6.097 1.00 0.00 C ATOM 727 O LYS A 53 14.860 3.670 -6.887 1.00 0.00 O ATOM 728 CB LYS A 53 13.772 1.526 -4.768 1.00 0.00 C ATOM 729 CG LYS A 53 14.489 0.716 -3.702 1.00 0.00 C ATOM 730 CD LYS A 53 14.193 -0.768 -3.835 1.00 0.00 C ATOM 731 CE LYS A 53 12.913 -1.149 -3.107 1.00 0.00 C ATOM 732 NZ LYS A 53 12.232 -2.306 -3.751 1.00 0.00 N ATOM 0 H LYS A 53 12.644 3.044 -3.183 1.00 0.00 H new ATOM 0 HA LYS A 53 15.110 3.165 -4.388 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.697 1.380 -4.661 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.050 1.144 -5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.564 0.882 -3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 53 14.183 1.062 -2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 53 14.104 -1.029 -4.890 1.00 0.00 H new ATOM 0 HD3 LYS A 53 15.027 -1.344 -3.433 1.00 0.00 H new ATOM 0 HE2 LYS A 53 13.144 -1.395 -2.070 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.237 -0.294 -3.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.364 -2.535 -3.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.988 -2.063 -4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.867 -3.130 -3.746 1.00 0.00 H new ATOM 746 N GLY A 54 12.716 4.131 -6.386 1.00 0.00 N ATOM 747 CA GLY A 54 12.455 4.741 -7.676 1.00 0.00 C ATOM 748 C GLY A 54 11.533 3.901 -8.538 1.00 0.00 C ATOM 749 O GLY A 54 11.198 4.287 -9.657 1.00 0.00 O ATOM 0 H GLY A 54 11.919 4.117 -5.749 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.011 5.725 -7.526 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.399 4.894 -8.200 1.00 0.00 H new ATOM 753 N GLU A 55 11.125 2.749 -8.017 1.00 0.00 N ATOM 754 CA GLU A 55 10.239 1.851 -8.749 1.00 0.00 C ATOM 755 C GLU A 55 8.786 2.301 -8.625 1.00 0.00 C ATOM 756 O GLU A 55 8.338 2.697 -7.549 1.00 0.00 O ATOM 757 CB GLU A 55 10.386 0.419 -8.231 1.00 0.00 C ATOM 758 CG GLU A 55 11.829 -0.052 -8.148 1.00 0.00 C ATOM 759 CD GLU A 55 12.513 -0.077 -9.501 1.00 0.00 C ATOM 760 OE1 GLU A 55 12.026 -0.794 -10.400 1.00 0.00 O ATOM 761 OE2 GLU A 55 13.536 0.621 -9.660 1.00 0.00 O ATOM 0 H GLU A 55 11.393 2.415 -7.091 1.00 0.00 H new ATOM 0 HA GLU A 55 10.523 1.880 -9.801 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.933 0.351 -7.242 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.830 -0.254 -8.884 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.383 0.604 -7.477 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.857 -1.051 -7.712 1.00 0.00 H new ATOM 768 N GLN A 56 8.056 2.237 -9.734 1.00 0.00 N ATOM 769 CA GLN A 56 6.654 2.638 -9.750 1.00 0.00 C ATOM 770 C GLN A 56 5.790 1.573 -10.416 1.00 0.00 C ATOM 771 O GLN A 56 6.128 1.063 -11.484 1.00 0.00 O ATOM 772 CB GLN A 56 6.493 3.973 -10.481 1.00 0.00 C ATOM 773 CG GLN A 56 5.132 4.617 -10.276 1.00 0.00 C ATOM 774 CD GLN A 56 4.936 5.853 -11.132 1.00 0.00 C ATOM 775 OE1 GLN A 56 3.969 5.952 -11.888 1.00 0.00 O ATOM 776 NE2 GLN A 56 5.856 6.804 -11.019 1.00 0.00 N ATOM 0 H GLN A 56 8.412 1.911 -10.633 1.00 0.00 H new ATOM 0 HA GLN A 56 6.323 2.754 -8.718 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.267 4.661 -10.139 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.655 3.816 -11.547 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.352 3.892 -10.508 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.016 4.885 -9.226 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.641 6.680 -10.380 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.777 7.658 -11.571 1.00 0.00 H new ATOM 785 N GLY A 57 4.672 1.240 -9.778 1.00 0.00 N ATOM 786 CA GLY A 57 3.777 0.236 -10.323 1.00 0.00 C ATOM 787 C GLY A 57 2.348 0.415 -9.851 1.00 0.00 C ATOM 788 O GLY A 57 2.081 1.205 -8.944 1.00 0.00 O ATOM 0 H GLY A 57 4.370 1.648 -8.893 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.805 0.281 -11.412 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.130 -0.755 -10.036 1.00 0.00 H new ATOM 792 N LEU A 58 1.427 -0.317 -10.466 1.00 0.00 N ATOM 793 CA LEU A 58 0.016 -0.235 -10.104 1.00 0.00 C ATOM 794 C LEU A 58 -0.276 -1.065 -8.859 1.00 0.00 C ATOM 795 O LEU A 58 0.206 -2.190 -8.722 1.00 0.00 O ATOM 796 CB LEU A 58 -0.857 -0.712 -11.266 1.00 0.00 C ATOM 797 CG LEU A 58 -0.703 0.053 -12.581 1.00 0.00 C ATOM 798 CD1 LEU A 58 -1.461 -0.647 -13.698 1.00 0.00 C ATOM 799 CD2 LEU A 58 -1.186 1.487 -12.423 1.00 0.00 C ATOM 0 H LEU A 58 1.631 -0.975 -11.218 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.218 0.807 -9.886 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.636 -1.763 -11.452 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.901 -0.656 -10.957 1.00 0.00 H new ATOM 0 HG LEU A 58 0.354 0.074 -12.845 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.340 -0.088 -14.626 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.068 -1.655 -13.828 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.519 -0.700 -13.442 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.069 2.017 -13.368 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.237 1.487 -12.135 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.598 1.986 -11.653 1.00 0.00 H new ATOM 811 N VAL A 59 -1.070 -0.503 -7.952 1.00 0.00 N ATOM 812 CA VAL A 59 -1.430 -1.193 -6.719 1.00 0.00 C ATOM 813 C VAL A 59 -2.928 -1.102 -6.456 1.00 0.00 C ATOM 814 O VAL A 59 -3.556 -0.061 -6.653 1.00 0.00 O ATOM 815 CB VAL A 59 -0.671 -0.613 -5.510 1.00 0.00 C ATOM 816 CG1 VAL A 59 -1.123 -1.286 -4.223 1.00 0.00 C ATOM 817 CG2 VAL A 59 0.831 -0.765 -5.702 1.00 0.00 C ATOM 0 H VAL A 59 -1.476 0.428 -8.048 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.150 -2.239 -6.847 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.899 0.450 -5.435 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.576 -0.864 -3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.191 -1.121 -4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.926 -2.356 -4.284 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.352 -0.350 -4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.080 -1.821 -5.803 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.139 -0.232 -6.602 1.00 0.00 H new ATOM 827 N PRO A 60 -3.518 -2.216 -5.998 1.00 0.00 N ATOM 828 CA PRO A 60 -4.950 -2.288 -5.696 1.00 0.00 C ATOM 829 C PRO A 60 -5.325 -1.467 -4.467 1.00 0.00 C ATOM 830 O PRO A 60 -4.776 -1.667 -3.383 1.00 0.00 O ATOM 831 CB PRO A 60 -5.184 -3.778 -5.437 1.00 0.00 C ATOM 832 CG PRO A 60 -3.860 -4.298 -4.996 1.00 0.00 C ATOM 833 CD PRO A 60 -2.830 -3.493 -5.740 1.00 0.00 C ATOM 0 HA PRO A 60 -5.558 -1.882 -6.504 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.945 -3.932 -4.672 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.529 -4.287 -6.337 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.737 -4.189 -3.918 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.763 -5.360 -5.222 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.926 -3.350 -5.147 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.530 -3.982 -6.667 1.00 0.00 H new ATOM 841 N THR A 61 -6.265 -0.543 -4.641 1.00 0.00 N ATOM 842 CA THR A 61 -6.713 0.308 -3.546 1.00 0.00 C ATOM 843 C THR A 61 -7.389 -0.513 -2.454 1.00 0.00 C ATOM 844 O THR A 61 -7.682 -0.002 -1.372 1.00 0.00 O ATOM 845 CB THR A 61 -7.692 1.390 -4.040 1.00 0.00 C ATOM 846 OG1 THR A 61 -8.878 0.778 -4.558 1.00 0.00 O ATOM 847 CG2 THR A 61 -7.048 2.251 -5.116 1.00 0.00 C ATOM 0 H THR A 61 -6.731 -0.365 -5.531 1.00 0.00 H new ATOM 0 HA THR A 61 -5.826 0.791 -3.137 1.00 0.00 H new ATOM 0 HB THR A 61 -7.952 2.027 -3.195 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.721 0.489 -5.481 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.758 3.008 -5.450 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.162 2.739 -4.710 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.762 1.624 -5.961 1.00 0.00 H new ATOM 855 N ASP A 62 -7.634 -1.786 -2.743 1.00 0.00 N ATOM 856 CA ASP A 62 -8.275 -2.678 -1.783 1.00 0.00 C ATOM 857 C ASP A 62 -7.269 -3.181 -0.753 1.00 0.00 C ATOM 858 O ASP A 62 -7.641 -3.571 0.354 1.00 0.00 O ATOM 859 CB ASP A 62 -8.918 -3.863 -2.506 1.00 0.00 C ATOM 860 CG ASP A 62 -9.982 -3.429 -3.496 1.00 0.00 C ATOM 861 OD1 ASP A 62 -11.136 -3.218 -3.070 1.00 0.00 O ATOM 862 OD2 ASP A 62 -9.660 -3.301 -4.696 1.00 0.00 O ATOM 0 H ASP A 62 -7.399 -2.224 -3.634 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.050 -2.115 -1.263 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.147 -4.427 -3.030 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.362 -4.536 -1.772 1.00 0.00 H new ATOM 867 N TYR A 63 -5.994 -3.169 -1.124 1.00 0.00 N ATOM 868 CA TYR A 63 -4.934 -3.627 -0.233 1.00 0.00 C ATOM 869 C TYR A 63 -4.356 -2.465 0.568 1.00 0.00 C ATOM 870 O TYR A 63 -4.026 -2.610 1.745 1.00 0.00 O ATOM 871 CB TYR A 63 -3.825 -4.310 -1.035 1.00 0.00 C ATOM 872 CG TYR A 63 -4.162 -5.724 -1.451 1.00 0.00 C ATOM 873 CD1 TYR A 63 -5.399 -6.030 -2.005 1.00 0.00 C ATOM 874 CD2 TYR A 63 -3.243 -6.754 -1.290 1.00 0.00 C ATOM 875 CE1 TYR A 63 -5.711 -7.321 -2.386 1.00 0.00 C ATOM 876 CE2 TYR A 63 -3.547 -8.047 -1.670 1.00 0.00 C ATOM 877 CZ TYR A 63 -4.782 -8.326 -2.217 1.00 0.00 C ATOM 878 OH TYR A 63 -5.088 -9.613 -2.595 1.00 0.00 O ATOM 0 H TYR A 63 -5.669 -2.847 -2.036 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.365 -4.346 0.464 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.615 -3.718 -1.926 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.912 -4.323 -0.439 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.129 -5.246 -2.140 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.275 -6.540 -0.861 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.678 -7.542 -2.814 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.821 -8.836 -1.539 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.325 -10.199 -2.409 1.00 0.00 H new ATOM 888 N VAL A 64 -4.236 -1.310 -0.079 1.00 0.00 N ATOM 889 CA VAL A 64 -3.700 -0.120 0.572 1.00 0.00 C ATOM 890 C VAL A 64 -4.770 0.954 0.722 1.00 0.00 C ATOM 891 O VAL A 64 -5.669 1.069 -0.111 1.00 0.00 O ATOM 892 CB VAL A 64 -2.510 0.462 -0.215 1.00 0.00 C ATOM 893 CG1 VAL A 64 -1.571 -0.648 -0.662 1.00 0.00 C ATOM 894 CG2 VAL A 64 -3.003 1.267 -1.407 1.00 0.00 C ATOM 0 H VAL A 64 -4.503 -1.173 -1.054 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.358 -0.427 1.560 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.955 1.132 0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.737 -0.218 -1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.191 -1.177 0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.111 -1.345 -1.303 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.149 1.671 -1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.582 0.622 -2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.631 2.087 -1.058 1.00 0.00 H new ATOM 904 N GLU A 65 -4.667 1.740 1.789 1.00 0.00 N ATOM 905 CA GLU A 65 -5.628 2.806 2.047 1.00 0.00 C ATOM 906 C GLU A 65 -4.925 4.156 2.165 1.00 0.00 C ATOM 907 O GLU A 65 -4.351 4.480 3.205 1.00 0.00 O ATOM 908 CB GLU A 65 -6.414 2.515 3.328 1.00 0.00 C ATOM 909 CG GLU A 65 -7.549 3.493 3.580 1.00 0.00 C ATOM 910 CD GLU A 65 -8.843 3.069 2.913 1.00 0.00 C ATOM 911 OE1 GLU A 65 -9.549 2.208 3.479 1.00 0.00 O ATOM 912 OE2 GLU A 65 -9.151 3.599 1.825 1.00 0.00 O ATOM 0 H GLU A 65 -3.929 1.659 2.488 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.320 2.848 1.206 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.821 1.505 3.273 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.731 2.538 4.177 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.712 3.586 4.654 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.262 4.479 3.214 1.00 0.00 H new ATOM 919 N ILE A 66 -4.973 4.937 1.091 1.00 0.00 N ATOM 920 CA ILE A 66 -4.342 6.251 1.074 1.00 0.00 C ATOM 921 C ILE A 66 -4.708 7.053 2.318 1.00 0.00 C ATOM 922 O ILE A 66 -5.848 7.012 2.783 1.00 0.00 O ATOM 923 CB ILE A 66 -4.746 7.052 -0.177 1.00 0.00 C ATOM 924 CG1 ILE A 66 -4.321 6.309 -1.446 1.00 0.00 C ATOM 925 CG2 ILE A 66 -4.126 8.442 -0.139 1.00 0.00 C ATOM 926 CD1 ILE A 66 -4.740 7.004 -2.722 1.00 0.00 C ATOM 0 H ILE A 66 -5.442 4.683 0.222 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.265 6.084 1.057 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.831 7.158 -0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.237 6.193 -1.444 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.748 5.306 -1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.421 8.996 -1.030 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.473 8.971 0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.040 8.355 -0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.406 6.421 -3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.826 7.096 -2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.291 7.997 -2.760 1.00 0.00 H new ATOM 938 N LEU A 67 -3.735 7.783 2.852 1.00 0.00 N ATOM 939 CA LEU A 67 -3.954 8.598 4.042 1.00 0.00 C ATOM 940 C LEU A 67 -4.106 10.070 3.673 1.00 0.00 C ATOM 941 O LEU A 67 -3.533 10.553 2.697 1.00 0.00 O ATOM 942 CB LEU A 67 -2.795 8.423 5.024 1.00 0.00 C ATOM 943 CG LEU A 67 -2.450 6.983 5.407 1.00 0.00 C ATOM 944 CD1 LEU A 67 -0.984 6.870 5.794 1.00 0.00 C ATOM 945 CD2 LEU A 67 -3.342 6.506 6.544 1.00 0.00 C ATOM 0 H LEU A 67 -2.786 7.827 2.480 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.877 8.265 4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.907 8.886 4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.031 8.973 5.935 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.626 6.345 4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.757 5.838 6.063 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.361 7.170 4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.781 7.520 6.645 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.083 5.480 6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.198 7.148 7.413 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.385 6.549 6.231 1.00 0.00 H new ATOM 957 N PRO A 68 -4.895 10.802 4.474 1.00 0.00 N ATOM 958 CA PRO A 68 -5.138 12.231 4.254 1.00 0.00 C ATOM 959 C PRO A 68 -3.902 13.079 4.532 1.00 0.00 C ATOM 960 O PRO A 68 -3.286 12.965 5.590 1.00 0.00 O ATOM 961 CB PRO A 68 -6.249 12.559 5.254 1.00 0.00 C ATOM 962 CG PRO A 68 -6.102 11.541 6.331 1.00 0.00 C ATOM 963 CD PRO A 68 -5.609 10.292 5.656 1.00 0.00 C ATOM 0 HA PRO A 68 -5.401 12.445 3.218 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.142 13.570 5.647 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.232 12.502 4.787 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.398 11.877 7.092 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.053 11.364 6.833 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -4.950 9.717 6.307 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.432 9.635 5.376 1.00 0.00 H new ATOM 971 N ASN A 69 -3.546 13.930 3.575 1.00 0.00 N ATOM 972 CA ASN A 69 -2.383 14.798 3.718 1.00 0.00 C ATOM 973 C ASN A 69 -2.499 15.661 4.971 1.00 0.00 C ATOM 974 O ASN A 69 -3.589 16.104 5.334 1.00 0.00 O ATOM 975 CB ASN A 69 -2.231 15.689 2.484 1.00 0.00 C ATOM 976 CG ASN A 69 -3.454 16.551 2.239 1.00 0.00 C ATOM 977 OD1 ASN A 69 -4.206 16.327 1.290 1.00 0.00 O ATOM 978 ND2 ASN A 69 -3.659 17.544 3.097 1.00 0.00 N ATOM 0 H ASN A 69 -4.046 14.037 2.692 1.00 0.00 H new ATOM 0 HA ASN A 69 -1.499 14.167 3.813 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.357 16.329 2.607 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.048 15.065 1.609 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.466 18.158 2.984 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -3.010 17.693 3.869 1.00 0.00 H new ATOM 985 N ASP A 70 -1.368 15.895 5.628 1.00 0.00 N ATOM 986 CA ASP A 70 -1.342 16.706 6.840 1.00 0.00 C ATOM 987 C ASP A 70 -0.137 17.642 6.841 1.00 0.00 C ATOM 988 O ASP A 70 1.000 17.207 6.664 1.00 0.00 O ATOM 989 CB ASP A 70 -1.308 15.810 8.078 1.00 0.00 C ATOM 990 CG ASP A 70 -1.926 16.475 9.292 1.00 0.00 C ATOM 991 OD1 ASP A 70 -3.073 16.957 9.184 1.00 0.00 O ATOM 992 OD2 ASP A 70 -1.263 16.516 10.349 1.00 0.00 O ATOM 0 H ASP A 70 -0.458 15.535 5.342 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.249 17.310 6.863 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.839 14.882 7.866 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.275 15.542 8.301 1.00 0.00 H new ATOM 997 N GLY A 71 -0.395 18.931 7.041 1.00 0.00 N ATOM 998 CA GLY A 71 0.678 19.908 7.060 1.00 0.00 C ATOM 999 C GLY A 71 0.168 21.326 7.227 1.00 0.00 C ATOM 1000 O GLY A 71 0.149 21.860 8.336 1.00 0.00 O ATOM 0 H GLY A 71 -1.328 19.316 7.190 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.364 19.674 7.874 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.247 19.837 6.133 1.00 0.00 H new ATOM 1004 N LYS A 72 -0.247 21.938 6.123 1.00 0.00 N ATOM 1005 CA LYS A 72 -0.759 23.303 6.151 1.00 0.00 C ATOM 1006 C LYS A 72 -2.220 23.344 5.714 1.00 0.00 C ATOM 1007 O LYS A 72 -2.567 22.873 4.631 1.00 0.00 O ATOM 1008 CB LYS A 72 0.081 24.204 5.243 1.00 0.00 C ATOM 1009 CG LYS A 72 -0.097 25.686 5.523 1.00 0.00 C ATOM 1010 CD LYS A 72 0.672 26.116 6.761 1.00 0.00 C ATOM 1011 CE LYS A 72 2.145 26.335 6.454 1.00 0.00 C ATOM 1012 NZ LYS A 72 2.984 26.266 7.682 1.00 0.00 N ATOM 0 H LYS A 72 -0.239 21.510 5.197 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.693 23.668 7.176 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.133 23.944 5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.182 24.005 4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.244 26.263 4.663 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.156 25.907 5.656 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.241 27.036 7.157 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.570 25.357 7.536 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.483 25.583 5.741 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.276 27.307 5.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.981 26.420 7.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.679 27.000 8.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.879 25.330 8.122 1.00 0.00 H new ATOM 1026 N ASP A 73 -3.070 23.911 6.562 1.00 0.00 N ATOM 1027 CA ASP A 73 -4.494 24.016 6.263 1.00 0.00 C ATOM 1028 C ASP A 73 -4.774 25.224 5.373 1.00 0.00 C ATOM 1029 O ASP A 73 -4.144 26.275 5.495 1.00 0.00 O ATOM 1030 CB ASP A 73 -5.303 24.122 7.556 1.00 0.00 C ATOM 1031 CG ASP A 73 -5.721 22.766 8.090 1.00 0.00 C ATOM 1032 OD1 ASP A 73 -5.039 21.768 7.775 1.00 0.00 O ATOM 1033 OD2 ASP A 73 -6.729 22.702 8.824 1.00 0.00 O ATOM 0 H ASP A 73 -2.798 24.305 7.463 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.795 23.115 5.729 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.711 24.639 8.310 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.191 24.728 7.377 1.00 0.00 H new ATOM 1038 N PRO A 74 -5.740 25.072 4.456 1.00 0.00 N ATOM 1039 CA PRO A 74 -6.125 26.139 3.527 1.00 0.00 C ATOM 1040 C PRO A 74 -6.838 27.289 4.230 1.00 0.00 C ATOM 1041 O PRO A 74 -7.141 27.210 5.420 1.00 0.00 O ATOM 1042 CB PRO A 74 -7.075 25.436 2.554 1.00 0.00 C ATOM 1043 CG PRO A 74 -7.629 24.289 3.326 1.00 0.00 C ATOM 1044 CD PRO A 74 -6.532 23.846 4.254 1.00 0.00 C ATOM 0 HA PRO A 74 -5.259 26.593 3.045 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.866 26.107 2.219 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.548 25.095 1.663 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.516 24.587 3.885 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.928 23.479 2.661 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -6.930 23.466 5.194 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.933 23.048 3.816 1.00 0.00 H new ATOM 1052 N PHE A 75 -7.103 28.358 3.485 1.00 0.00 N ATOM 1053 CA PHE A 75 -7.780 29.525 4.037 1.00 0.00 C ATOM 1054 C PHE A 75 -9.189 29.657 3.467 1.00 0.00 C ATOM 1055 O PHE A 75 -9.372 29.759 2.254 1.00 0.00 O ATOM 1056 CB PHE A 75 -6.977 30.794 3.742 1.00 0.00 C ATOM 1057 CG PHE A 75 -6.748 31.031 2.277 1.00 0.00 C ATOM 1058 CD1 PHE A 75 -7.680 31.722 1.520 1.00 0.00 C ATOM 1059 CD2 PHE A 75 -5.601 30.563 1.657 1.00 0.00 C ATOM 1060 CE1 PHE A 75 -7.473 31.941 0.171 1.00 0.00 C ATOM 1061 CE2 PHE A 75 -5.387 30.780 0.308 1.00 0.00 C ATOM 1062 CZ PHE A 75 -6.324 31.470 -0.435 1.00 0.00 C ATOM 0 H PHE A 75 -6.859 28.439 2.498 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.855 29.393 5.116 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.501 31.652 4.163 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.013 30.730 4.247 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.579 32.094 1.989 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.865 30.022 2.234 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.208 32.479 -0.409 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.488 30.410 -0.163 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.159 31.641 -1.488 1.00 0.00 H new ATOM 1072 N SER A 76 -10.182 29.655 4.351 1.00 0.00 N ATOM 1073 CA SER A 76 -11.575 29.770 3.936 1.00 0.00 C ATOM 1074 C SER A 76 -11.726 30.800 2.820 1.00 0.00 C ATOM 1075 O SER A 76 -11.201 31.910 2.910 1.00 0.00 O ATOM 1076 CB SER A 76 -12.453 30.160 5.127 1.00 0.00 C ATOM 1077 OG SER A 76 -13.763 29.639 4.986 1.00 0.00 O ATOM 0 H SER A 76 -10.047 29.575 5.359 1.00 0.00 H new ATOM 0 HA SER A 76 -11.897 28.800 3.558 1.00 0.00 H new ATOM 0 HB2 SER A 76 -12.007 29.787 6.049 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.497 31.246 5.210 1.00 0.00 H new ATOM 0 HG SER A 76 -14.304 29.900 5.760 1.00 0.00 H new ATOM 1083 N CYS A 77 -12.446 30.422 1.770 1.00 0.00 N ATOM 1084 CA CYS A 77 -12.667 31.311 0.634 1.00 0.00 C ATOM 1085 C CYS A 77 -13.552 32.489 1.030 1.00 0.00 C ATOM 1086 O CYS A 77 -14.730 32.316 1.341 1.00 0.00 O ATOM 1087 CB CYS A 77 -13.306 30.544 -0.524 1.00 0.00 C ATOM 1088 SG CYS A 77 -13.540 31.530 -2.022 1.00 0.00 S ATOM 0 H CYS A 77 -12.887 29.506 1.681 1.00 0.00 H new ATOM 0 HA CYS A 77 -11.700 31.698 0.313 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -12.683 29.682 -0.763 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -14.273 30.158 -0.201 1.00 0.00 H new ATOM 0 HG CYS A 77 -14.084 30.794 -2.945 1.00 0.00 H new TER 1094 CYS A 77