USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 420 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 50 THR OG1 : rot -88:sc= 0.358 USER MOD Set 1.2: A 52 THR OG1 : rot -170:sc= -0.444 USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.0543) USER MOD Single : A 1 MET N :NH3+ 178:sc= 1.96 (180deg=1.96) USER MOD Single : A 3 THR OG1 : rot 30:sc= 0.00253 USER MOD Single : A 4 TYR OH : rot 30:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 162:sc= 0.523 (180deg=0.332) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00465 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0346 X(o=-0.035,f=-0.035) USER MOD Single : A 38 ASN : amide:sc= -0.685 X(o=-0.69,f=-0.82) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -166:sc= 1.16 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 39:sc= 0.2 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.297 1.133 2.051 1.00 0.00 N ATOM 2 CA MET A 1 -16.015 0.111 1.034 1.00 0.00 C ATOM 3 C MET A 1 -15.379 -1.094 1.703 1.00 0.00 C ATOM 4 O MET A 1 -16.109 -2.044 2.006 1.00 0.00 O ATOM 5 CB MET A 1 -15.213 0.662 -0.151 1.00 0.00 C ATOM 6 CG MET A 1 -15.273 -0.267 -1.365 1.00 0.00 C ATOM 7 SD MET A 1 -16.916 -0.394 -2.121 1.00 0.00 S ATOM 8 CE MET A 1 -17.007 1.173 -3.031 1.00 0.00 C ATOM 0 H1 MET A 1 -16.702 1.975 1.594 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.974 0.756 2.744 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.414 1.393 2.536 1.00 0.00 H new ATOM 0 HA MET A 1 -16.953 -0.215 0.584 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.600 1.643 -0.426 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.174 0.801 0.148 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.566 0.087 -2.115 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.946 -1.262 -1.064 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.925 1.200 -3.619 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.004 2.004 -2.326 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.148 1.258 -3.696 1.00 0.00 H new ATOM 18 N GLY A 2 -14.066 -1.093 1.973 1.00 0.00 N ATOM 19 CA GLY A 2 -13.443 -2.232 2.606 1.00 0.00 C ATOM 20 C GLY A 2 -12.153 -1.856 3.295 1.00 0.00 C ATOM 21 O GLY A 2 -11.863 -0.672 3.488 1.00 0.00 O ATOM 0 H GLY A 2 -13.434 -0.321 1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.130 -2.665 3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.245 -3.000 1.858 1.00 0.00 H new ATOM 25 N THR A 3 -11.446 -2.884 3.748 1.00 0.00 N ATOM 26 CA THR A 3 -10.160 -2.783 4.410 1.00 0.00 C ATOM 27 C THR A 3 -9.143 -3.078 3.308 1.00 0.00 C ATOM 28 O THR A 3 -9.391 -3.927 2.456 1.00 0.00 O ATOM 29 CB THR A 3 -10.094 -3.712 5.639 1.00 0.00 C ATOM 30 OG1 THR A 3 -8.818 -3.693 6.249 1.00 0.00 O ATOM 31 CG2 THR A 3 -10.443 -5.176 5.352 1.00 0.00 C ATOM 0 H THR A 3 -11.769 -3.847 3.659 1.00 0.00 H new ATOM 0 HA THR A 3 -9.957 -1.803 4.841 1.00 0.00 H new ATOM 0 HB THR A 3 -10.854 -3.303 6.305 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.402 -2.817 6.109 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.370 -5.755 6.273 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.460 -5.238 4.964 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.748 -5.578 4.615 1.00 0.00 H new ATOM 39 N TYR A 4 -8.014 -2.384 3.293 1.00 0.00 N ATOM 40 CA TYR A 4 -6.977 -2.542 2.291 1.00 0.00 C ATOM 41 C TYR A 4 -5.657 -2.725 3.039 1.00 0.00 C ATOM 42 O TYR A 4 -5.334 -1.874 3.880 1.00 0.00 O ATOM 43 CB TYR A 4 -7.034 -1.304 1.372 1.00 0.00 C ATOM 44 CG TYR A 4 -8.396 -1.051 0.711 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.705 -1.665 -0.519 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.374 -0.233 1.325 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.968 -1.485 -1.119 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.626 -0.033 0.721 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.940 -0.684 -0.485 1.00 0.00 C ATOM 50 OH TYR A 4 -12.180 -0.551 -1.017 1.00 0.00 O ATOM 0 H TYR A 4 -7.791 -1.679 3.996 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.100 -3.413 1.648 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.760 -0.424 1.955 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.282 -1.415 0.590 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.965 -2.281 -1.008 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.155 0.243 2.269 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -10.191 -1.960 -2.063 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.349 0.622 1.184 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.415 -1.366 -1.508 1.00 0.00 H new ATOM 60 N LYS A 5 -4.868 -3.770 2.738 1.00 0.00 N ATOM 61 CA LYS A 5 -3.599 -3.986 3.452 1.00 0.00 C ATOM 62 C LYS A 5 -2.423 -3.503 2.593 1.00 0.00 C ATOM 63 O LYS A 5 -2.337 -3.844 1.416 1.00 0.00 O ATOM 64 CB LYS A 5 -3.509 -5.473 3.816 1.00 0.00 C ATOM 65 CG LYS A 5 -2.405 -5.755 4.836 1.00 0.00 C ATOM 66 CD LYS A 5 -2.140 -7.255 4.937 1.00 0.00 C ATOM 67 CE LYS A 5 -1.123 -7.493 6.045 1.00 0.00 C ATOM 68 NZ LYS A 5 -0.591 -8.866 6.024 1.00 0.00 N ATOM 0 H LYS A 5 -5.080 -4.464 2.021 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.557 -3.406 4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.466 -5.805 4.219 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.324 -6.055 2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.491 -5.237 4.544 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.695 -5.365 5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.065 -7.789 5.151 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.763 -7.638 3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.301 -6.785 5.940 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.589 -7.300 7.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.292 -8.904 6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.287 -9.515 6.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.402 -9.150 5.042 1.00 0.00 H new ATOM 82 N LEU A 6 -1.495 -2.713 3.137 1.00 0.00 N ATOM 83 CA LEU A 6 -0.332 -2.155 2.422 1.00 0.00 C ATOM 84 C LEU A 6 1.017 -2.572 3.041 1.00 0.00 C ATOM 85 O LEU A 6 1.297 -2.195 4.169 1.00 0.00 O ATOM 86 CB LEU A 6 -0.512 -0.619 2.362 1.00 0.00 C ATOM 87 CG LEU A 6 -0.176 -0.017 0.987 1.00 0.00 C ATOM 88 CD1 LEU A 6 -0.751 1.400 0.882 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.329 0.049 0.736 1.00 0.00 C ATOM 0 H LEU A 6 -1.528 -2.432 4.117 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.296 -2.564 1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.543 -0.371 2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.123 -0.157 3.118 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.621 -0.671 0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.509 1.819 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.834 1.363 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.320 2.026 1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.515 0.481 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.798 0.669 1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.749 -0.956 0.776 1.00 0.00 H new ATOM 101 N ILE A 7 1.862 -3.330 2.337 1.00 0.00 N ATOM 102 CA ILE A 7 3.190 -3.817 2.747 1.00 0.00 C ATOM 103 C ILE A 7 4.255 -3.351 1.744 1.00 0.00 C ATOM 104 O ILE A 7 4.057 -3.434 0.531 1.00 0.00 O ATOM 105 CB ILE A 7 3.175 -5.354 2.983 1.00 0.00 C ATOM 106 CG1 ILE A 7 4.475 -5.846 3.653 1.00 0.00 C ATOM 107 CG2 ILE A 7 2.976 -6.180 1.704 1.00 0.00 C ATOM 108 CD1 ILE A 7 4.387 -7.262 4.241 1.00 0.00 C ATOM 0 H ILE A 7 1.622 -3.644 1.397 1.00 0.00 H new ATOM 0 HA ILE A 7 3.459 -3.380 3.709 1.00 0.00 H new ATOM 0 HB ILE A 7 2.317 -5.510 3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.280 -5.820 2.919 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.745 -5.151 4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.977 -7.241 1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.023 -5.916 1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.786 -5.970 1.005 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.343 -7.529 4.692 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.606 -7.293 5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.150 -7.971 3.448 1.00 0.00 H new ATOM 120 N LEU A 8 5.363 -2.802 2.248 1.00 0.00 N ATOM 121 CA LEU A 8 6.474 -2.294 1.447 1.00 0.00 C ATOM 122 C LEU A 8 7.748 -3.073 1.775 1.00 0.00 C ATOM 123 O LEU A 8 8.032 -3.303 2.955 1.00 0.00 O ATOM 124 CB LEU A 8 6.701 -0.790 1.725 1.00 0.00 C ATOM 125 CG LEU A 8 5.545 0.192 1.426 1.00 0.00 C ATOM 126 CD1 LEU A 8 5.004 0.045 -0.004 1.00 0.00 C ATOM 127 CD2 LEU A 8 4.393 0.124 2.437 1.00 0.00 C ATOM 0 H LEU A 8 5.514 -2.697 3.251 1.00 0.00 H new ATOM 0 HA LEU A 8 6.228 -2.423 0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.965 -0.682 2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.567 -0.471 1.145 1.00 0.00 H new ATOM 0 HG LEU A 8 5.997 1.179 1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.194 0.757 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.804 0.241 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.629 -0.968 -0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.622 0.842 2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.970 -0.880 2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.768 0.362 3.432 1.00 0.00 H new ATOM 139 N ASN A 9 8.523 -3.456 0.757 1.00 0.00 N ATOM 140 CA ASN A 9 9.787 -4.183 0.902 1.00 0.00 C ATOM 141 C ASN A 9 10.870 -3.241 0.388 1.00 0.00 C ATOM 142 O ASN A 9 11.413 -3.433 -0.706 1.00 0.00 O ATOM 143 CB ASN A 9 9.812 -5.535 0.160 1.00 0.00 C ATOM 144 CG ASN A 9 8.931 -6.594 0.796 1.00 0.00 C ATOM 145 OD1 ASN A 9 9.418 -7.414 1.577 1.00 0.00 O ATOM 146 ND2 ASN A 9 7.648 -6.592 0.476 1.00 0.00 N ATOM 0 H ASN A 9 8.283 -3.264 -0.216 1.00 0.00 H new ATOM 0 HA ASN A 9 9.942 -4.453 1.946 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.493 -5.380 -0.871 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.838 -5.901 0.124 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.021 -7.287 0.880 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.286 -5.895 -0.175 1.00 0.00 H new ATOM 153 N GLY A 10 11.132 -2.174 1.143 1.00 0.00 N ATOM 154 CA GLY A 10 12.131 -1.192 0.773 1.00 0.00 C ATOM 155 C GLY A 10 13.533 -1.693 1.100 1.00 0.00 C ATOM 156 O GLY A 10 13.731 -2.598 1.919 1.00 0.00 O ATOM 0 H GLY A 10 10.656 -1.974 2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.057 -0.976 -0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.942 -0.258 1.302 1.00 0.00 H new ATOM 160 N LYS A 11 14.519 -1.096 0.435 1.00 0.00 N ATOM 161 CA LYS A 11 15.931 -1.406 0.592 1.00 0.00 C ATOM 162 C LYS A 11 16.400 -1.074 2.004 1.00 0.00 C ATOM 163 O LYS A 11 17.214 -1.825 2.549 1.00 0.00 O ATOM 164 CB LYS A 11 16.726 -0.621 -0.470 1.00 0.00 C ATOM 165 CG LYS A 11 18.248 -0.776 -0.349 1.00 0.00 C ATOM 166 CD LYS A 11 18.989 -0.165 -1.545 1.00 0.00 C ATOM 167 CE LYS A 11 20.497 -0.198 -1.260 1.00 0.00 C ATOM 168 NZ LYS A 11 21.326 -0.018 -2.469 1.00 0.00 N ATOM 0 H LYS A 11 14.348 -0.360 -0.250 1.00 0.00 H new ATOM 0 HA LYS A 11 16.099 -2.473 0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.415 -0.952 -1.461 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.471 0.436 -0.392 1.00 0.00 H new ATOM 0 HG2 LYS A 11 18.588 -0.298 0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 11 18.499 -1.834 -0.270 1.00 0.00 H new ATOM 0 HD2 LYS A 11 18.764 -0.723 -2.454 1.00 0.00 H new ATOM 0 HD3 LYS A 11 18.658 0.860 -1.711 1.00 0.00 H new ATOM 0 HE2 LYS A 11 20.741 0.585 -0.541 1.00 0.00 H new ATOM 0 HE3 LYS A 11 20.750 -1.150 -0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 22.332 -0.050 -2.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 21.120 -0.779 -3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 21.111 0.902 -2.904 1.00 0.00 H new ATOM 182 N THR A 12 15.954 0.045 2.580 1.00 0.00 N ATOM 183 CA THR A 12 16.357 0.465 3.920 1.00 0.00 C ATOM 184 C THR A 12 15.187 0.631 4.906 1.00 0.00 C ATOM 185 O THR A 12 15.417 0.649 6.118 1.00 0.00 O ATOM 186 CB THR A 12 17.303 1.675 3.755 1.00 0.00 C ATOM 187 OG1 THR A 12 18.102 1.894 4.897 1.00 0.00 O ATOM 188 CG2 THR A 12 16.601 2.984 3.384 1.00 0.00 C ATOM 0 H THR A 12 15.302 0.685 2.127 1.00 0.00 H new ATOM 0 HA THR A 12 16.913 -0.327 4.423 1.00 0.00 H new ATOM 0 HB THR A 12 17.934 1.391 2.913 1.00 0.00 H new ATOM 0 HG1 THR A 12 18.684 2.668 4.745 1.00 0.00 H new ATOM 0 HG21 THR A 12 17.340 3.779 3.289 1.00 0.00 H new ATOM 0 HG22 THR A 12 16.077 2.860 2.436 1.00 0.00 H new ATOM 0 HG23 THR A 12 15.885 3.246 4.163 1.00 0.00 H new ATOM 196 N LEU A 13 13.938 0.734 4.432 1.00 0.00 N ATOM 197 CA LEU A 13 12.753 0.900 5.280 1.00 0.00 C ATOM 198 C LEU A 13 11.704 -0.139 4.901 1.00 0.00 C ATOM 199 O LEU A 13 11.519 -0.426 3.718 1.00 0.00 O ATOM 200 CB LEU A 13 12.189 2.317 5.109 1.00 0.00 C ATOM 201 CG LEU A 13 13.055 3.410 5.764 1.00 0.00 C ATOM 202 CD1 LEU A 13 12.730 4.765 5.141 1.00 0.00 C ATOM 203 CD2 LEU A 13 12.859 3.473 7.283 1.00 0.00 C ATOM 0 H LEU A 13 13.721 0.704 3.436 1.00 0.00 H new ATOM 0 HA LEU A 13 13.029 0.757 6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.089 2.533 4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.187 2.354 5.537 1.00 0.00 H new ATOM 0 HG LEU A 13 14.099 3.156 5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.344 5.536 5.606 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.937 4.733 4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.677 4.995 5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.490 4.258 7.699 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.815 3.691 7.506 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.133 2.515 7.725 1.00 0.00 H new ATOM 215 N LYS A 14 11.028 -0.727 5.890 1.00 0.00 N ATOM 216 CA LYS A 14 9.991 -1.734 5.667 1.00 0.00 C ATOM 217 C LYS A 14 8.852 -1.569 6.659 1.00 0.00 C ATOM 218 O LYS A 14 9.024 -0.984 7.733 1.00 0.00 O ATOM 219 CB LYS A 14 10.573 -3.144 5.823 1.00 0.00 C ATOM 220 CG LYS A 14 11.677 -3.477 4.814 1.00 0.00 C ATOM 221 CD LYS A 14 11.997 -4.964 4.934 1.00 0.00 C ATOM 222 CE LYS A 14 13.211 -5.334 4.091 1.00 0.00 C ATOM 223 NZ LYS A 14 13.462 -6.782 4.186 1.00 0.00 N ATOM 0 H LYS A 14 11.187 -0.516 6.875 1.00 0.00 H new ATOM 0 HA LYS A 14 9.612 -1.597 4.654 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.972 -3.252 6.832 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.768 -3.872 5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.352 -3.238 3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.567 -2.879 5.012 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.185 -5.216 5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.136 -5.551 4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.043 -5.052 3.052 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.085 -4.781 4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.291 -7.029 3.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.641 -7.039 5.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.631 -7.302 3.838 1.00 0.00 H new ATOM 237 N GLY A 15 7.702 -2.147 6.341 1.00 0.00 N ATOM 238 CA GLY A 15 6.523 -2.109 7.179 1.00 0.00 C ATOM 239 C GLY A 15 5.344 -2.730 6.446 1.00 0.00 C ATOM 240 O GLY A 15 5.432 -3.006 5.244 1.00 0.00 O ATOM 0 H GLY A 15 7.565 -2.665 5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.709 -2.648 8.108 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.292 -1.079 7.449 1.00 0.00 H new ATOM 244 N GLU A 16 4.271 -3.006 7.181 1.00 0.00 N ATOM 245 CA GLU A 16 3.019 -3.573 6.704 1.00 0.00 C ATOM 246 C GLU A 16 1.923 -2.866 7.491 1.00 0.00 C ATOM 247 O GLU A 16 2.071 -2.698 8.702 1.00 0.00 O ATOM 248 CB GLU A 16 2.955 -5.114 6.832 1.00 0.00 C ATOM 249 CG GLU A 16 2.747 -5.699 8.241 1.00 0.00 C ATOM 250 CD GLU A 16 2.360 -7.184 8.234 1.00 0.00 C ATOM 251 OE1 GLU A 16 2.913 -7.963 9.041 1.00 0.00 O ATOM 252 OE2 GLU A 16 1.351 -7.564 7.595 1.00 0.00 O ATOM 0 H GLU A 16 4.254 -2.828 8.185 1.00 0.00 H new ATOM 0 HA GLU A 16 2.904 -3.409 5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.145 -5.472 6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.881 -5.524 6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.663 -5.573 8.817 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.969 -5.131 8.751 1.00 0.00 H new ATOM 259 N THR A 17 0.836 -2.455 6.845 1.00 0.00 N ATOM 260 CA THR A 17 -0.253 -1.764 7.532 1.00 0.00 C ATOM 261 C THR A 17 -1.603 -2.177 6.947 1.00 0.00 C ATOM 262 O THR A 17 -1.670 -2.912 5.959 1.00 0.00 O ATOM 263 CB THR A 17 0.010 -0.242 7.520 1.00 0.00 C ATOM 264 OG1 THR A 17 -0.878 0.443 8.385 1.00 0.00 O ATOM 265 CG2 THR A 17 -0.112 0.360 6.121 1.00 0.00 C ATOM 0 H THR A 17 0.685 -2.588 5.845 1.00 0.00 H new ATOM 0 HA THR A 17 -0.292 -2.059 8.581 1.00 0.00 H new ATOM 0 HB THR A 17 1.035 -0.116 7.867 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.686 1.404 8.357 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.082 1.432 6.168 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.613 -0.111 5.458 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.118 0.190 5.738 1.00 0.00 H new ATOM 273 N THR A 18 -2.683 -1.723 7.575 1.00 0.00 N ATOM 274 CA THR A 18 -4.051 -1.998 7.188 1.00 0.00 C ATOM 275 C THR A 18 -4.865 -0.741 7.508 1.00 0.00 C ATOM 276 O THR A 18 -4.601 -0.071 8.515 1.00 0.00 O ATOM 277 CB THR A 18 -4.492 -3.279 7.923 1.00 0.00 C ATOM 278 OG1 THR A 18 -5.577 -3.902 7.284 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.829 -3.074 9.405 1.00 0.00 C ATOM 0 H THR A 18 -2.620 -1.129 8.402 1.00 0.00 H new ATOM 0 HA THR A 18 -4.193 -2.198 6.126 1.00 0.00 H new ATOM 0 HB THR A 18 -3.616 -3.926 7.880 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.827 -4.711 7.778 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.129 -4.025 9.845 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.952 -2.693 9.928 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.646 -2.358 9.497 1.00 0.00 H new ATOM 287 N THR A 19 -5.813 -0.388 6.642 1.00 0.00 N ATOM 288 CA THR A 19 -6.688 0.772 6.778 1.00 0.00 C ATOM 289 C THR A 19 -8.030 0.458 6.107 1.00 0.00 C ATOM 290 O THR A 19 -8.153 -0.560 5.425 1.00 0.00 O ATOM 291 CB THR A 19 -6.066 2.053 6.184 1.00 0.00 C ATOM 292 OG1 THR A 19 -5.883 1.917 4.798 1.00 0.00 O ATOM 293 CG2 THR A 19 -4.729 2.487 6.780 1.00 0.00 C ATOM 0 H THR A 19 -5.999 -0.924 5.794 1.00 0.00 H new ATOM 0 HA THR A 19 -6.836 0.969 7.840 1.00 0.00 H new ATOM 0 HB THR A 19 -6.791 2.826 6.438 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.489 2.739 4.438 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.389 3.397 6.286 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.850 2.677 7.846 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.992 1.697 6.634 1.00 0.00 H new ATOM 301 N GLU A 20 -9.050 1.282 6.337 1.00 0.00 N ATOM 302 CA GLU A 20 -10.398 1.168 5.778 1.00 0.00 C ATOM 303 C GLU A 20 -10.741 2.488 5.074 1.00 0.00 C ATOM 304 O GLU A 20 -10.219 3.524 5.491 1.00 0.00 O ATOM 305 CB GLU A 20 -11.418 0.902 6.890 1.00 0.00 C ATOM 306 CG GLU A 20 -11.160 -0.361 7.726 1.00 0.00 C ATOM 307 CD GLU A 20 -11.984 -0.274 9.007 1.00 0.00 C ATOM 308 OE1 GLU A 20 -13.186 -0.616 8.985 1.00 0.00 O ATOM 309 OE2 GLU A 20 -11.479 0.276 10.013 1.00 0.00 O ATOM 0 H GLU A 20 -8.955 2.091 6.951 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.432 0.338 5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.436 1.763 7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.409 0.826 6.442 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.434 -1.252 7.160 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.100 -0.447 7.963 1.00 0.00 H new ATOM 316 N ALA A 21 -11.556 2.481 4.010 1.00 0.00 N ATOM 317 CA ALA A 21 -11.949 3.699 3.290 1.00 0.00 C ATOM 318 C ALA A 21 -13.410 3.627 2.830 1.00 0.00 C ATOM 319 O ALA A 21 -13.894 2.537 2.501 1.00 0.00 O ATOM 320 CB ALA A 21 -11.035 3.905 2.075 1.00 0.00 C ATOM 0 H ALA A 21 -11.962 1.628 3.624 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.847 4.542 3.973 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.332 4.810 1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.002 4.003 2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.121 3.049 1.406 1.00 0.00 H new ATOM 326 N VAL A 22 -14.085 4.784 2.741 1.00 0.00 N ATOM 327 CA VAL A 22 -15.484 4.894 2.309 1.00 0.00 C ATOM 328 C VAL A 22 -15.667 4.321 0.900 1.00 0.00 C ATOM 329 O VAL A 22 -16.575 3.525 0.674 1.00 0.00 O ATOM 330 CB VAL A 22 -16.009 6.347 2.394 1.00 0.00 C ATOM 331 CG1 VAL A 22 -16.194 6.795 3.844 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.125 7.391 1.691 1.00 0.00 C ATOM 0 H VAL A 22 -13.665 5.684 2.972 1.00 0.00 H new ATOM 0 HA VAL A 22 -16.082 4.300 3.000 1.00 0.00 H new ATOM 0 HB VAL A 22 -16.963 6.308 1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -16.564 7.820 3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -16.912 6.141 4.338 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -15.238 6.744 4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.571 8.379 1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.132 7.388 2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.045 7.146 0.632 1.00 0.00 H new ATOM 342 N ASP A 23 -14.782 4.669 -0.028 1.00 0.00 N ATOM 343 CA ASP A 23 -14.742 4.232 -1.422 1.00 0.00 C ATOM 344 C ASP A 23 -13.265 4.189 -1.811 1.00 0.00 C ATOM 345 O ASP A 23 -12.437 4.849 -1.162 1.00 0.00 O ATOM 346 CB ASP A 23 -15.570 5.150 -2.335 1.00 0.00 C ATOM 347 CG ASP A 23 -15.264 4.871 -3.805 1.00 0.00 C ATOM 348 OD1 ASP A 23 -14.593 5.705 -4.451 1.00 0.00 O ATOM 349 OD2 ASP A 23 -15.606 3.760 -4.260 1.00 0.00 O ATOM 0 H ASP A 23 -14.018 5.310 0.188 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.196 3.248 -1.541 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.632 4.998 -2.145 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.351 6.193 -2.105 1.00 0.00 H new ATOM 354 N ALA A 24 -12.930 3.429 -2.853 1.00 0.00 N ATOM 355 CA ALA A 24 -11.568 3.273 -3.326 1.00 0.00 C ATOM 356 C ALA A 24 -10.923 4.592 -3.769 1.00 0.00 C ATOM 357 O ALA A 24 -9.699 4.664 -3.734 1.00 0.00 O ATOM 358 CB ALA A 24 -11.495 2.173 -4.388 1.00 0.00 C ATOM 0 H ALA A 24 -13.612 2.899 -3.396 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.961 2.952 -2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.466 2.068 -4.733 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.832 1.230 -3.958 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.135 2.437 -5.230 1.00 0.00 H new ATOM 364 N ALA A 25 -11.672 5.662 -4.081 1.00 0.00 N ATOM 365 CA ALA A 25 -11.087 6.943 -4.489 1.00 0.00 C ATOM 366 C ALA A 25 -10.072 7.439 -3.447 1.00 0.00 C ATOM 367 O ALA A 25 -8.938 7.780 -3.788 1.00 0.00 O ATOM 368 CB ALA A 25 -12.186 7.991 -4.712 1.00 0.00 C ATOM 0 H ALA A 25 -12.692 5.661 -4.057 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.559 6.790 -5.430 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.733 8.935 -5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.863 7.647 -5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.744 8.136 -3.787 1.00 0.00 H new ATOM 374 N THR A 26 -10.467 7.475 -2.169 1.00 0.00 N ATOM 375 CA THR A 26 -9.616 7.907 -1.058 1.00 0.00 C ATOM 376 C THR A 26 -8.446 6.934 -0.873 1.00 0.00 C ATOM 377 O THR A 26 -7.347 7.360 -0.505 1.00 0.00 O ATOM 378 CB THR A 26 -10.438 7.994 0.245 1.00 0.00 C ATOM 379 OG1 THR A 26 -11.547 8.859 0.080 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.628 8.515 1.433 1.00 0.00 C ATOM 0 H THR A 26 -11.404 7.200 -1.874 1.00 0.00 H new ATOM 0 HA THR A 26 -9.219 8.895 -1.292 1.00 0.00 H new ATOM 0 HB THR A 26 -10.756 6.973 0.455 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.057 8.900 0.916 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.263 8.552 2.318 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.785 7.849 1.619 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.257 9.515 1.210 1.00 0.00 H new ATOM 388 N ALA A 27 -8.687 5.635 -1.076 1.00 0.00 N ATOM 389 CA ALA A 27 -7.671 4.610 -0.928 1.00 0.00 C ATOM 390 C ALA A 27 -6.581 4.808 -1.982 1.00 0.00 C ATOM 391 O ALA A 27 -5.415 4.896 -1.628 1.00 0.00 O ATOM 392 CB ALA A 27 -8.310 3.222 -1.008 1.00 0.00 C ATOM 0 H ALA A 27 -9.600 5.272 -1.349 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.201 4.693 0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.539 2.460 -0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.046 3.114 -0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.801 3.102 -1.974 1.00 0.00 H new ATOM 398 N GLU A 28 -6.943 4.964 -3.256 1.00 0.00 N ATOM 399 CA GLU A 28 -6.007 5.155 -4.363 1.00 0.00 C ATOM 400 C GLU A 28 -5.057 6.337 -4.087 1.00 0.00 C ATOM 401 O GLU A 28 -3.876 6.282 -4.441 1.00 0.00 O ATOM 402 CB GLU A 28 -6.825 5.285 -5.658 1.00 0.00 C ATOM 403 CG GLU A 28 -5.965 5.280 -6.930 1.00 0.00 C ATOM 404 CD GLU A 28 -6.775 5.305 -8.238 1.00 0.00 C ATOM 405 OE1 GLU A 28 -6.130 5.234 -9.309 1.00 0.00 O ATOM 406 OE2 GLU A 28 -8.024 5.406 -8.217 1.00 0.00 O ATOM 0 H GLU A 28 -7.919 4.961 -3.553 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.345 4.296 -4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.541 4.465 -5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.402 6.209 -5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.301 6.144 -6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.332 4.392 -6.924 1.00 0.00 H new ATOM 413 N LYS A 29 -5.557 7.380 -3.411 1.00 0.00 N ATOM 414 CA LYS A 29 -4.793 8.571 -3.034 1.00 0.00 C ATOM 415 C LYS A 29 -3.869 8.214 -1.870 1.00 0.00 C ATOM 416 O LYS A 29 -2.667 8.486 -1.922 1.00 0.00 O ATOM 417 CB LYS A 29 -5.743 9.721 -2.632 1.00 0.00 C ATOM 418 CG LYS A 29 -6.625 10.174 -3.806 1.00 0.00 C ATOM 419 CD LYS A 29 -7.836 11.013 -3.386 1.00 0.00 C ATOM 420 CE LYS A 29 -8.813 11.085 -4.563 1.00 0.00 C ATOM 421 NZ LYS A 29 -10.040 11.828 -4.231 1.00 0.00 N ATOM 0 H LYS A 29 -6.529 7.417 -3.105 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.201 8.908 -3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.376 9.397 -1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.157 10.566 -2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.018 10.753 -4.501 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.975 9.294 -4.345 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.322 10.568 -2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.520 12.015 -3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.321 11.562 -5.411 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.077 10.074 -4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.668 11.849 -5.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.526 11.360 -3.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.794 12.801 -3.959 1.00 0.00 H new ATOM 435 N VAL A 30 -4.426 7.608 -0.812 1.00 0.00 N ATOM 436 CA VAL A 30 -3.666 7.219 0.368 1.00 0.00 C ATOM 437 C VAL A 30 -2.553 6.243 0.008 1.00 0.00 C ATOM 438 O VAL A 30 -1.503 6.316 0.630 1.00 0.00 O ATOM 439 CB VAL A 30 -4.547 6.737 1.550 1.00 0.00 C ATOM 440 CG1 VAL A 30 -4.711 5.216 1.701 1.00 0.00 C ATOM 441 CG2 VAL A 30 -3.968 7.270 2.871 1.00 0.00 C ATOM 0 H VAL A 30 -5.418 7.377 -0.757 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.191 8.125 0.744 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.537 7.129 1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.347 5.002 2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.169 4.808 0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.733 4.758 1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.587 6.932 3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.952 6.897 3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.954 8.360 2.849 1.00 0.00 H new ATOM 451 N PHE A 31 -2.722 5.372 -0.994 1.00 0.00 N ATOM 452 CA PHE A 31 -1.690 4.407 -1.340 1.00 0.00 C ATOM 453 C PHE A 31 -0.359 5.084 -1.654 1.00 0.00 C ATOM 454 O PHE A 31 0.668 4.681 -1.113 1.00 0.00 O ATOM 455 CB PHE A 31 -2.103 3.623 -2.598 1.00 0.00 C ATOM 456 CG PHE A 31 -3.356 2.770 -2.571 1.00 0.00 C ATOM 457 CD1 PHE A 31 -3.978 2.372 -1.368 1.00 0.00 C ATOM 458 CD2 PHE A 31 -3.847 2.285 -3.798 1.00 0.00 C ATOM 459 CE1 PHE A 31 -5.067 1.485 -1.402 1.00 0.00 C ATOM 460 CE2 PHE A 31 -4.951 1.419 -3.830 1.00 0.00 C ATOM 461 CZ PHE A 31 -5.554 1.012 -2.631 1.00 0.00 C ATOM 0 H PHE A 31 -3.561 5.321 -1.572 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.574 3.751 -0.477 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.216 4.343 -3.408 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.271 2.972 -2.864 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.617 2.749 -0.422 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.371 2.581 -4.721 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.531 1.166 -0.480 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.335 1.067 -4.776 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.394 0.334 -2.653 1.00 0.00 H new ATOM 471 N LYS A 32 -0.361 6.156 -2.452 1.00 0.00 N ATOM 472 CA LYS A 32 0.889 6.827 -2.790 1.00 0.00 C ATOM 473 C LYS A 32 1.390 7.650 -1.616 1.00 0.00 C ATOM 474 O LYS A 32 2.567 7.568 -1.282 1.00 0.00 O ATOM 475 CB LYS A 32 0.717 7.675 -4.053 1.00 0.00 C ATOM 476 CG LYS A 32 2.043 8.356 -4.427 1.00 0.00 C ATOM 477 CD LYS A 32 2.122 8.567 -5.935 1.00 0.00 C ATOM 478 CE LYS A 32 3.370 9.365 -6.304 1.00 0.00 C ATOM 479 NZ LYS A 32 3.753 9.124 -7.708 1.00 0.00 N ATOM 0 H LYS A 32 -1.197 6.568 -2.866 1.00 0.00 H new ATOM 0 HA LYS A 32 1.647 6.073 -3.003 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.379 7.047 -4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.053 8.429 -3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.125 9.314 -3.914 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.881 7.743 -4.094 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.138 7.602 -6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.232 9.094 -6.281 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.185 10.428 -6.151 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.193 9.086 -5.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.604 9.677 -7.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.951 8.112 -7.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.975 9.413 -8.335 1.00 0.00 H new ATOM 493 N GLN A 33 0.494 8.395 -0.974 1.00 0.00 N ATOM 494 CA GLN A 33 0.825 9.249 0.154 1.00 0.00 C ATOM 495 C GLN A 33 1.459 8.438 1.284 1.00 0.00 C ATOM 496 O GLN A 33 2.524 8.803 1.777 1.00 0.00 O ATOM 497 CB GLN A 33 -0.489 9.894 0.616 1.00 0.00 C ATOM 498 CG GLN A 33 -0.404 10.683 1.926 1.00 0.00 C ATOM 499 CD GLN A 33 -1.804 11.087 2.358 1.00 0.00 C ATOM 500 OE1 GLN A 33 -2.463 11.897 1.709 1.00 0.00 O ATOM 501 NE2 GLN A 33 -2.326 10.501 3.420 1.00 0.00 N ATOM 0 H GLN A 33 -0.493 8.420 -1.229 1.00 0.00 H new ATOM 0 HA GLN A 33 1.553 10.008 -0.133 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.843 10.562 -0.169 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.239 9.111 0.730 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.067 10.077 2.700 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.218 11.568 1.792 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.775 9.830 3.955 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.281 10.720 3.706 1.00 0.00 H new ATOM 510 N TYR A 34 0.823 7.339 1.678 1.00 0.00 N ATOM 511 CA TYR A 34 1.284 6.485 2.747 1.00 0.00 C ATOM 512 C TYR A 34 2.581 5.778 2.388 1.00 0.00 C ATOM 513 O TYR A 34 3.559 5.889 3.122 1.00 0.00 O ATOM 514 CB TYR A 34 0.216 5.439 3.096 1.00 0.00 C ATOM 515 CG TYR A 34 0.712 4.576 4.229 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.337 3.341 3.973 1.00 0.00 C ATOM 517 CD2 TYR A 34 0.722 5.123 5.519 1.00 0.00 C ATOM 518 CE1 TYR A 34 2.024 2.676 5.002 1.00 0.00 C ATOM 519 CE2 TYR A 34 1.401 4.460 6.553 1.00 0.00 C ATOM 520 CZ TYR A 34 2.076 3.248 6.295 1.00 0.00 C ATOM 521 OH TYR A 34 2.758 2.628 7.291 1.00 0.00 O ATOM 0 H TYR A 34 -0.045 7.018 1.249 1.00 0.00 H new ATOM 0 HA TYR A 34 1.470 7.124 3.610 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.713 5.933 3.380 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.004 4.823 2.224 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.288 2.905 2.986 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.209 6.052 5.717 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.511 1.732 4.807 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.407 4.878 7.549 1.00 0.00 H new ATOM 0 HH TYR A 34 2.691 3.158 8.112 1.00 0.00 H new ATOM 531 N ALA A 35 2.608 5.059 1.261 1.00 0.00 N ATOM 532 CA ALA A 35 3.800 4.330 0.861 1.00 0.00 C ATOM 533 C ALA A 35 5.008 5.254 0.745 1.00 0.00 C ATOM 534 O ALA A 35 6.101 4.867 1.147 1.00 0.00 O ATOM 535 CB ALA A 35 3.523 3.563 -0.423 1.00 0.00 C ATOM 0 H ALA A 35 1.821 4.971 0.619 1.00 0.00 H new ATOM 0 HA ALA A 35 4.053 3.606 1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.418 3.017 -0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.707 2.859 -0.258 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.245 4.262 -1.212 1.00 0.00 H new ATOM 541 N ASN A 36 4.819 6.480 0.249 1.00 0.00 N ATOM 542 CA ASN A 36 5.888 7.460 0.112 1.00 0.00 C ATOM 543 C ASN A 36 6.592 7.721 1.452 1.00 0.00 C ATOM 544 O ASN A 36 7.774 8.052 1.451 1.00 0.00 O ATOM 545 CB ASN A 36 5.334 8.758 -0.486 1.00 0.00 C ATOM 546 CG ASN A 36 6.333 9.891 -0.339 1.00 0.00 C ATOM 547 OD1 ASN A 36 6.191 10.724 0.557 1.00 0.00 O ATOM 548 ND2 ASN A 36 7.357 9.917 -1.172 1.00 0.00 N ATOM 0 H ASN A 36 3.911 6.818 -0.070 1.00 0.00 H new ATOM 0 HA ASN A 36 6.638 7.055 -0.567 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.101 8.607 -1.540 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.401 9.023 0.012 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.066 10.645 -1.086 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.439 9.209 -1.901 1.00 0.00 H new ATOM 555 N ASP A 37 5.900 7.582 2.588 1.00 0.00 N ATOM 556 CA ASP A 37 6.494 7.810 3.908 1.00 0.00 C ATOM 557 C ASP A 37 7.617 6.808 4.196 1.00 0.00 C ATOM 558 O ASP A 37 8.511 7.112 4.979 1.00 0.00 O ATOM 559 CB ASP A 37 5.425 7.782 5.005 1.00 0.00 C ATOM 560 CG ASP A 37 5.907 8.469 6.286 1.00 0.00 C ATOM 561 OD1 ASP A 37 6.102 9.710 6.274 1.00 0.00 O ATOM 562 OD2 ASP A 37 5.950 7.811 7.350 1.00 0.00 O ATOM 0 H ASP A 37 4.917 7.310 2.618 1.00 0.00 H new ATOM 0 HA ASP A 37 6.939 8.805 3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.522 8.276 4.645 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.157 6.749 5.225 1.00 0.00 H new ATOM 567 N ASN A 38 7.599 5.627 3.559 1.00 0.00 N ATOM 568 CA ASN A 38 8.619 4.573 3.689 1.00 0.00 C ATOM 569 C ASN A 38 9.792 4.893 2.731 1.00 0.00 C ATOM 570 O ASN A 38 10.709 4.087 2.601 1.00 0.00 O ATOM 571 CB ASN A 38 8.038 3.173 3.357 1.00 0.00 C ATOM 572 CG ASN A 38 7.577 2.331 4.542 1.00 0.00 C ATOM 573 OD1 ASN A 38 8.360 1.959 5.412 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.322 1.909 4.523 1.00 0.00 N ATOM 0 H ASN A 38 6.849 5.370 2.917 1.00 0.00 H new ATOM 0 HA ASN A 38 8.966 4.550 4.722 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.192 3.306 2.683 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.795 2.610 2.812 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.990 1.263 5.239 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.687 2.230 3.792 1.00 0.00 H new ATOM 581 N GLY A 39 9.780 6.035 2.024 1.00 0.00 N ATOM 582 CA GLY A 39 10.826 6.441 1.084 1.00 0.00 C ATOM 583 C GLY A 39 10.946 5.452 -0.073 1.00 0.00 C ATOM 584 O GLY A 39 12.044 5.191 -0.561 1.00 0.00 O ATOM 0 H GLY A 39 9.023 6.714 2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.602 7.434 0.695 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.780 6.511 1.606 1.00 0.00 H new ATOM 588 N VAL A 40 9.811 4.946 -0.546 1.00 0.00 N ATOM 589 CA VAL A 40 9.703 3.953 -1.604 1.00 0.00 C ATOM 590 C VAL A 40 9.817 4.450 -3.041 1.00 0.00 C ATOM 591 O VAL A 40 9.358 5.540 -3.408 1.00 0.00 O ATOM 592 CB VAL A 40 8.344 3.248 -1.480 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.196 2.562 -0.124 1.00 0.00 C ATOM 594 CG2 VAL A 40 7.183 4.237 -1.699 1.00 0.00 C ATOM 0 H VAL A 40 8.901 5.232 -0.184 1.00 0.00 H new ATOM 0 HA VAL A 40 10.567 3.308 -1.446 1.00 0.00 H new ATOM 0 HB VAL A 40 8.304 2.486 -2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.224 2.073 -0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.984 1.818 -0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.275 3.305 0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.234 3.710 -1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.234 5.029 -0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.259 4.673 -2.695 1.00 0.00 H new ATOM 604 N ASP A 41 10.462 3.615 -3.841 1.00 0.00 N ATOM 605 CA ASP A 41 10.727 3.700 -5.264 1.00 0.00 C ATOM 606 C ASP A 41 10.512 2.270 -5.783 1.00 0.00 C ATOM 607 O ASP A 41 11.299 1.404 -5.402 1.00 0.00 O ATOM 608 CB ASP A 41 12.147 4.244 -5.459 1.00 0.00 C ATOM 609 CG ASP A 41 12.464 4.652 -6.888 1.00 0.00 C ATOM 610 OD1 ASP A 41 13.497 5.336 -7.075 1.00 0.00 O ATOM 611 OD2 ASP A 41 11.704 4.314 -7.825 1.00 0.00 O ATOM 0 H ASP A 41 10.859 2.758 -3.457 1.00 0.00 H new ATOM 0 HA ASP A 41 10.080 4.380 -5.818 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.287 5.106 -4.807 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.862 3.485 -5.142 1.00 0.00 H new ATOM 616 N GLY A 42 9.432 1.932 -6.504 1.00 0.00 N ATOM 617 CA GLY A 42 9.260 0.553 -6.981 1.00 0.00 C ATOM 618 C GLY A 42 7.896 0.278 -7.616 1.00 0.00 C ATOM 619 O GLY A 42 7.030 1.161 -7.650 1.00 0.00 O ATOM 0 H GLY A 42 8.684 2.575 -6.764 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.040 0.332 -7.710 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.404 -0.130 -6.144 1.00 0.00 H new ATOM 623 N GLU A 43 7.727 -0.943 -8.117 1.00 0.00 N ATOM 624 CA GLU A 43 6.554 -1.497 -8.790 1.00 0.00 C ATOM 625 C GLU A 43 5.553 -2.051 -7.775 1.00 0.00 C ATOM 626 O GLU A 43 5.948 -2.494 -6.697 1.00 0.00 O ATOM 627 CB GLU A 43 6.953 -2.564 -9.825 1.00 0.00 C ATOM 628 CG GLU A 43 7.832 -3.726 -9.320 1.00 0.00 C ATOM 629 CD GLU A 43 7.723 -4.960 -10.228 1.00 0.00 C ATOM 630 OE1 GLU A 43 6.578 -5.406 -10.468 1.00 0.00 O ATOM 631 OE2 GLU A 43 8.739 -5.551 -10.652 1.00 0.00 O ATOM 0 H GLU A 43 8.476 -1.633 -8.057 1.00 0.00 H new ATOM 0 HA GLU A 43 6.066 -0.687 -9.331 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.041 -2.986 -10.247 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.481 -2.067 -10.639 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.871 -3.401 -9.272 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.534 -3.993 -8.306 1.00 0.00 H new ATOM 638 N TRP A 44 4.258 -2.000 -8.112 1.00 0.00 N ATOM 639 CA TRP A 44 3.155 -2.448 -7.264 1.00 0.00 C ATOM 640 C TRP A 44 2.442 -3.695 -7.792 1.00 0.00 C ATOM 641 O TRP A 44 2.314 -3.862 -9.008 1.00 0.00 O ATOM 642 CB TRP A 44 2.157 -1.290 -7.152 1.00 0.00 C ATOM 643 CG TRP A 44 2.650 -0.091 -6.399 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.768 0.624 -6.660 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.093 0.486 -5.188 1.00 0.00 C ATOM 646 NE1 TRP A 44 3.984 1.542 -5.660 1.00 0.00 N ATOM 647 CE2 TRP A 44 2.927 1.565 -4.771 1.00 0.00 C ATOM 648 CE3 TRP A 44 0.982 0.174 -4.382 1.00 0.00 C ATOM 649 CZ2 TRP A 44 2.627 2.333 -3.639 1.00 0.00 C ATOM 650 CZ3 TRP A 44 0.701 0.911 -3.223 1.00 0.00 C ATOM 651 CH2 TRP A 44 1.512 1.993 -2.859 1.00 0.00 C ATOM 0 H TRP A 44 3.943 -1.634 -9.011 1.00 0.00 H new ATOM 0 HA TRP A 44 3.567 -2.729 -6.295 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.875 -0.977 -8.157 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.253 -1.657 -6.667 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.399 0.493 -7.527 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.815 2.129 -5.584 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.336 -0.646 -4.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.246 3.176 -3.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.145 0.643 -2.608 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.278 2.567 -1.975 1.00 0.00 H new ATOM 662 N THR A 45 1.960 -4.543 -6.883 1.00 0.00 N ATOM 663 CA THR A 45 1.220 -5.784 -7.116 1.00 0.00 C ATOM 664 C THR A 45 0.056 -5.794 -6.105 1.00 0.00 C ATOM 665 O THR A 45 0.165 -5.141 -5.063 1.00 0.00 O ATOM 666 CB THR A 45 2.151 -6.997 -6.909 1.00 0.00 C ATOM 667 OG1 THR A 45 3.244 -7.014 -7.796 1.00 0.00 O ATOM 668 CG2 THR A 45 1.447 -8.326 -7.172 1.00 0.00 C ATOM 0 H THR A 45 2.087 -4.366 -5.886 1.00 0.00 H new ATOM 0 HA THR A 45 0.840 -5.843 -8.136 1.00 0.00 H new ATOM 0 HB THR A 45 2.470 -6.890 -5.872 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.798 -7.802 -7.617 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.147 -9.146 -7.012 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.603 -8.431 -6.491 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.088 -8.350 -8.201 1.00 0.00 H new ATOM 676 N TYR A 46 -1.040 -6.524 -6.366 1.00 0.00 N ATOM 677 CA TYR A 46 -2.198 -6.598 -5.473 1.00 0.00 C ATOM 678 C TYR A 46 -2.773 -8.018 -5.367 1.00 0.00 C ATOM 679 O TYR A 46 -2.849 -8.745 -6.358 1.00 0.00 O ATOM 680 CB TYR A 46 -3.260 -5.606 -5.961 1.00 0.00 C ATOM 681 CG TYR A 46 -4.604 -5.705 -5.267 1.00 0.00 C ATOM 682 CD1 TYR A 46 -4.721 -5.303 -3.927 1.00 0.00 C ATOM 683 CD2 TYR A 46 -5.736 -6.184 -5.957 1.00 0.00 C ATOM 684 CE1 TYR A 46 -5.975 -5.302 -3.302 1.00 0.00 C ATOM 685 CE2 TYR A 46 -6.992 -6.211 -5.325 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.117 -5.743 -4.001 1.00 0.00 C ATOM 687 OH TYR A 46 -8.331 -5.624 -3.398 1.00 0.00 O ATOM 0 H TYR A 46 -1.144 -7.084 -7.212 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.874 -6.332 -4.467 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.876 -4.594 -5.831 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.409 -5.755 -7.030 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.844 -4.994 -3.378 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.638 -6.532 -6.975 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.067 -4.962 -2.281 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.856 -6.588 -5.851 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.992 -6.160 -3.885 1.00 0.00 H new ATOM 697 N ASP A 47 -3.204 -8.393 -4.159 1.00 0.00 N ATOM 698 CA ASP A 47 -3.804 -9.657 -3.738 1.00 0.00 C ATOM 699 C ASP A 47 -5.120 -9.339 -3.007 1.00 0.00 C ATOM 700 O ASP A 47 -5.131 -9.064 -1.801 1.00 0.00 O ATOM 701 CB ASP A 47 -2.810 -10.459 -2.872 1.00 0.00 C ATOM 702 CG ASP A 47 -2.148 -11.581 -3.666 1.00 0.00 C ATOM 703 OD1 ASP A 47 -2.891 -12.443 -4.193 1.00 0.00 O ATOM 704 OD2 ASP A 47 -0.899 -11.673 -3.699 1.00 0.00 O ATOM 0 H ASP A 47 -3.132 -7.749 -3.371 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.033 -10.290 -4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.044 -9.789 -2.482 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.333 -10.880 -2.013 1.00 0.00 H new ATOM 709 N ASP A 48 -6.246 -9.420 -3.719 1.00 0.00 N ATOM 710 CA ASP A 48 -7.599 -9.124 -3.227 1.00 0.00 C ATOM 711 C ASP A 48 -8.092 -9.933 -2.024 1.00 0.00 C ATOM 712 O ASP A 48 -8.918 -9.424 -1.261 1.00 0.00 O ATOM 713 CB ASP A 48 -8.622 -9.266 -4.368 1.00 0.00 C ATOM 714 CG ASP A 48 -9.979 -8.677 -3.971 1.00 0.00 C ATOM 715 OD1 ASP A 48 -10.951 -9.443 -3.770 1.00 0.00 O ATOM 716 OD2 ASP A 48 -10.066 -7.439 -3.817 1.00 0.00 O ATOM 0 H ASP A 48 -6.243 -9.706 -4.698 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.517 -8.099 -2.865 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.250 -8.760 -5.259 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.741 -10.319 -4.625 1.00 0.00 H new ATOM 721 N ALA A 49 -7.568 -11.137 -1.775 1.00 0.00 N ATOM 722 CA ALA A 49 -8.018 -11.962 -0.652 1.00 0.00 C ATOM 723 C ALA A 49 -7.879 -11.255 0.699 1.00 0.00 C ATOM 724 O ALA A 49 -8.722 -11.434 1.577 1.00 0.00 O ATOM 725 CB ALA A 49 -7.253 -13.289 -0.641 1.00 0.00 C ATOM 0 H ALA A 49 -6.831 -11.562 -2.338 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.082 -12.150 -0.797 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.593 -13.898 0.197 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.435 -13.822 -1.574 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.186 -13.093 -0.538 1.00 0.00 H new ATOM 731 N THR A 50 -6.831 -10.451 0.860 1.00 0.00 N ATOM 732 CA THR A 50 -6.503 -9.684 2.063 1.00 0.00 C ATOM 733 C THR A 50 -6.283 -8.199 1.706 1.00 0.00 C ATOM 734 O THR A 50 -5.839 -7.416 2.542 1.00 0.00 O ATOM 735 CB THR A 50 -5.335 -10.403 2.793 1.00 0.00 C ATOM 736 OG1 THR A 50 -4.641 -9.590 3.716 1.00 0.00 O ATOM 737 CG2 THR A 50 -4.315 -11.053 1.842 1.00 0.00 C ATOM 0 H THR A 50 -6.149 -10.308 0.115 1.00 0.00 H new ATOM 0 HA THR A 50 -7.325 -9.654 2.778 1.00 0.00 H new ATOM 0 HB THR A 50 -5.849 -11.189 3.347 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.918 -9.115 3.255 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.530 -11.535 2.425 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.817 -11.797 1.224 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.875 -10.288 1.203 1.00 0.00 H new ATOM 745 N LYS A 51 -6.601 -7.800 0.468 1.00 0.00 N ATOM 746 CA LYS A 51 -6.484 -6.509 -0.165 1.00 0.00 C ATOM 747 C LYS A 51 -5.060 -5.996 -0.002 1.00 0.00 C ATOM 748 O LYS A 51 -4.842 -4.801 0.144 1.00 0.00 O ATOM 749 CB LYS A 51 -7.658 -5.607 0.242 1.00 0.00 C ATOM 750 CG LYS A 51 -8.979 -6.277 -0.185 1.00 0.00 C ATOM 751 CD LYS A 51 -10.190 -5.344 -0.228 1.00 0.00 C ATOM 752 CE LYS A 51 -11.316 -6.083 -0.939 1.00 0.00 C ATOM 753 NZ LYS A 51 -12.628 -5.446 -0.729 1.00 0.00 N ATOM 0 H LYS A 51 -6.997 -8.475 -0.186 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.604 -6.548 -1.248 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.650 -5.443 1.320 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.562 -4.629 -0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.843 -6.718 -1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.193 -7.095 0.503 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.493 -5.064 0.781 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.944 -4.422 -0.755 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.102 -6.124 -2.007 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.354 -7.112 -0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.361 -5.986 -1.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.847 -5.430 0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.604 -4.472 -1.094 1.00 0.00 H new ATOM 767 N THR A 52 -4.125 -6.940 -0.018 1.00 0.00 N ATOM 768 CA THR A 52 -2.701 -6.811 0.134 1.00 0.00 C ATOM 769 C THR A 52 -2.056 -6.250 -1.114 1.00 0.00 C ATOM 770 O THR A 52 -2.062 -6.883 -2.163 1.00 0.00 O ATOM 771 CB THR A 52 -2.173 -8.216 0.478 1.00 0.00 C ATOM 772 OG1 THR A 52 -2.615 -8.488 1.788 1.00 0.00 O ATOM 773 CG2 THR A 52 -0.659 -8.451 0.436 1.00 0.00 C ATOM 0 H THR A 52 -4.388 -7.916 -0.153 1.00 0.00 H new ATOM 0 HA THR A 52 -2.453 -6.104 0.926 1.00 0.00 H new ATOM 0 HB THR A 52 -2.555 -8.870 -0.306 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.178 -9.300 2.119 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.444 -9.486 0.702 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.287 -8.249 -0.569 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.168 -7.785 1.145 1.00 0.00 H new ATOM 781 N PHE A 53 -1.485 -5.065 -0.984 1.00 0.00 N ATOM 782 CA PHE A 53 -0.750 -4.372 -2.013 1.00 0.00 C ATOM 783 C PHE A 53 0.691 -4.557 -1.556 1.00 0.00 C ATOM 784 O PHE A 53 0.971 -4.340 -0.368 1.00 0.00 O ATOM 785 CB PHE A 53 -1.143 -2.904 -2.079 1.00 0.00 C ATOM 786 CG PHE A 53 -2.481 -2.662 -2.737 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.543 -2.459 -4.127 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.650 -2.558 -1.958 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.763 -2.123 -4.735 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.865 -2.200 -2.566 1.00 0.00 C ATOM 791 CZ PHE A 53 -4.919 -1.972 -3.954 1.00 0.00 C ATOM 0 H PHE A 53 -1.527 -4.539 -0.111 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.935 -4.748 -3.019 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.167 -2.498 -1.068 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.375 -2.356 -2.625 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.651 -2.562 -4.727 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.612 -2.753 -0.896 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.812 -1.981 -5.804 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.759 -2.100 -1.968 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.850 -1.681 -4.418 1.00 0.00 H new ATOM 801 N THR A 54 1.568 -4.983 -2.461 1.00 0.00 N ATOM 802 CA THR A 54 2.973 -5.235 -2.177 1.00 0.00 C ATOM 803 C THR A 54 3.861 -4.502 -3.182 1.00 0.00 C ATOM 804 O THR A 54 3.510 -4.392 -4.362 1.00 0.00 O ATOM 805 CB THR A 54 3.229 -6.755 -2.188 1.00 0.00 C ATOM 806 OG1 THR A 54 2.322 -7.433 -1.333 1.00 0.00 O ATOM 807 CG2 THR A 54 4.650 -7.096 -1.731 1.00 0.00 C ATOM 0 H THR A 54 1.314 -5.166 -3.432 1.00 0.00 H new ATOM 0 HA THR A 54 3.224 -4.852 -1.188 1.00 0.00 H new ATOM 0 HB THR A 54 3.090 -7.079 -3.219 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.505 -8.395 -1.360 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.790 -8.177 -1.753 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.370 -6.623 -2.399 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.803 -6.731 -0.715 1.00 0.00 H new ATOM 815 N VAL A 55 4.994 -3.986 -2.701 1.00 0.00 N ATOM 816 CA VAL A 55 6.017 -3.262 -3.450 1.00 0.00 C ATOM 817 C VAL A 55 7.369 -3.885 -3.138 1.00 0.00 C ATOM 818 O VAL A 55 7.645 -4.185 -1.970 1.00 0.00 O ATOM 819 CB VAL A 55 5.975 -1.765 -3.112 1.00 0.00 C ATOM 820 CG1 VAL A 55 7.243 -0.986 -3.512 1.00 0.00 C ATOM 821 CG2 VAL A 55 4.773 -1.135 -3.817 1.00 0.00 C ATOM 0 H VAL A 55 5.235 -4.070 -1.713 1.00 0.00 H new ATOM 0 HA VAL A 55 5.833 -3.341 -4.521 1.00 0.00 H new ATOM 0 HB VAL A 55 5.901 -1.699 -2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.128 0.062 -3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.106 -1.404 -2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.394 -1.064 -4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.732 -0.071 -3.585 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.872 -1.268 -4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.857 -1.617 -3.475 1.00 0.00 H new ATOM 831 N THR A 56 8.198 -4.035 -4.169 1.00 0.00 N ATOM 832 CA THR A 56 9.535 -4.601 -4.113 1.00 0.00 C ATOM 833 C THR A 56 10.535 -3.629 -4.750 1.00 0.00 C ATOM 834 O THR A 56 10.487 -3.423 -5.966 1.00 0.00 O ATOM 835 CB THR A 56 9.522 -5.969 -4.822 1.00 0.00 C ATOM 836 OG1 THR A 56 8.909 -5.880 -6.097 1.00 0.00 O ATOM 837 CG2 THR A 56 8.760 -7.012 -4.002 1.00 0.00 C ATOM 0 H THR A 56 7.937 -3.749 -5.113 1.00 0.00 H new ATOM 0 HA THR A 56 9.847 -4.754 -3.080 1.00 0.00 H new ATOM 0 HB THR A 56 10.563 -6.273 -4.931 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.174 -5.042 -6.530 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.769 -7.966 -4.529 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.238 -7.130 -3.029 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.730 -6.684 -3.863 1.00 0.00 H new ATOM 845 N GLU A 57 11.398 -3.001 -3.943 1.00 0.00 N ATOM 846 CA GLU A 57 12.432 -2.066 -4.413 1.00 0.00 C ATOM 847 C GLU A 57 13.498 -2.832 -5.192 1.00 0.00 C ATOM 848 O GLU A 57 14.293 -2.238 -5.952 1.00 0.00 O ATOM 849 CB GLU A 57 13.051 -1.355 -3.200 1.00 0.00 C ATOM 850 CG GLU A 57 13.869 -0.101 -3.566 1.00 0.00 C ATOM 851 CD GLU A 57 14.190 0.799 -2.363 1.00 0.00 C ATOM 852 OE1 GLU A 57 13.401 0.836 -1.386 1.00 0.00 O ATOM 853 OE2 GLU A 57 15.246 1.463 -2.390 1.00 0.00 O ATOM 0 H GLU A 57 11.399 -3.128 -2.931 1.00 0.00 H new ATOM 0 HA GLU A 57 11.992 -1.320 -5.075 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.255 -1.070 -2.512 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.695 -2.056 -2.669 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.802 -0.411 -4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.317 0.479 -4.306 1.00 0.00 H new