USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 772 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 92 ASN : amide:sc= -2.34! K(o=-2.3!,f=-0.29) USER MOD Set 1.2: A 94 MET CE :methyl -161:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.023 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0548) USER MOD Single : A 9 LYS NZ :NH3+ 163:sc= 1.24 (180deg=0.652) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 86:sc= 0.162 USER MOD Single : A 17 HIS : no HD1:sc= -0.369 X(o=-0.37,f=-0.23) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 177:sc= 1.31 (180deg=1.18) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0282 USER MOD Single : A 35 SER OG : rot 62:sc= -2.03! USER MOD Single : A 42 GLN : amide:sc= -0.118 K(o=-0.12,f=-0.87) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -150:sc= -1.35! USER MOD Single : A 51 SER OG : rot -24:sc= 0.177 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -129:sc= 0.0217 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 44:sc= 0.104 USER MOD Single : A 75 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.177) USER MOD Single : A 76 ASN : amide:sc= -0.0422 X(o=-0.042,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 145:sc= -0.989! (180deg=-3.66!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.709 -19.097 6.982 1.00 0.00 N ATOM 2 CA MET A 1 10.972 -17.642 6.913 1.00 0.00 C ATOM 3 C MET A 1 9.670 -16.872 6.755 1.00 0.00 C ATOM 4 O MET A 1 8.756 -17.321 6.065 1.00 0.00 O ATOM 5 CB MET A 1 11.918 -17.313 5.754 1.00 0.00 C ATOM 6 CG MET A 1 13.372 -17.617 6.061 1.00 0.00 C ATOM 7 SD MET A 1 13.980 -16.668 7.469 1.00 0.00 S ATOM 8 CE MET A 1 15.650 -17.299 7.610 1.00 0.00 C ATOM 0 H1 MET A 1 11.490 -19.613 6.529 1.00 0.00 H new ATOM 0 H2 MET A 1 10.632 -19.389 7.977 1.00 0.00 H new ATOM 0 H3 MET A 1 9.819 -19.313 6.488 1.00 0.00 H new ATOM 0 HA MET A 1 11.449 -17.342 7.846 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.614 -17.879 4.874 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.820 -16.257 5.503 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.484 -18.682 6.266 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.981 -17.396 5.185 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.156 -16.806 8.440 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.619 -18.374 7.790 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.193 -17.102 6.686 1.00 0.00 H new ATOM 18 N PRO A 2 9.569 -15.692 7.392 1.00 0.00 N ATOM 19 CA PRO A 2 8.363 -14.856 7.344 1.00 0.00 C ATOM 20 C PRO A 2 8.186 -14.158 5.999 1.00 0.00 C ATOM 21 O PRO A 2 7.313 -13.309 5.840 1.00 0.00 O ATOM 22 CB PRO A 2 8.588 -13.817 8.456 1.00 0.00 C ATOM 23 CG PRO A 2 9.803 -14.270 9.199 1.00 0.00 C ATOM 24 CD PRO A 2 10.608 -15.084 8.231 1.00 0.00 C ATOM 0 HA PRO A 2 7.461 -15.453 7.478 1.00 0.00 H new ATOM 0 HB2 PRO A 2 8.735 -12.822 8.037 1.00 0.00 H new ATOM 0 HB3 PRO A 2 7.724 -13.760 9.118 1.00 0.00 H new ATOM 0 HG2 PRO A 2 10.377 -13.418 9.562 1.00 0.00 H new ATOM 0 HG3 PRO A 2 9.527 -14.863 10.071 1.00 0.00 H new ATOM 0 HD2 PRO A 2 11.290 -14.465 7.648 1.00 0.00 H new ATOM 0 HD3 PRO A 2 11.213 -15.836 8.737 1.00 0.00 H new ATOM 32 N TYR A 3 9.028 -14.526 5.048 1.00 0.00 N ATOM 33 CA TYR A 3 8.964 -13.987 3.697 1.00 0.00 C ATOM 34 C TYR A 3 8.067 -14.857 2.831 1.00 0.00 C ATOM 35 O TYR A 3 8.332 -16.046 2.649 1.00 0.00 O ATOM 36 CB TYR A 3 10.362 -13.922 3.072 1.00 0.00 C ATOM 37 CG TYR A 3 11.300 -12.953 3.750 1.00 0.00 C ATOM 38 CD1 TYR A 3 12.078 -13.348 4.831 1.00 0.00 C ATOM 39 CD2 TYR A 3 11.419 -11.646 3.297 1.00 0.00 C ATOM 40 CE1 TYR A 3 12.944 -12.465 5.446 1.00 0.00 C ATOM 41 CE2 TYR A 3 12.284 -10.758 3.905 1.00 0.00 C ATOM 42 CZ TYR A 3 13.044 -11.172 4.978 1.00 0.00 C ATOM 43 OH TYR A 3 13.913 -10.291 5.583 1.00 0.00 O ATOM 0 H TYR A 3 9.775 -15.206 5.189 1.00 0.00 H new ATOM 0 HA TYR A 3 8.554 -12.979 3.752 1.00 0.00 H new ATOM 0 HB2 TYR A 3 10.806 -14.917 3.098 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.266 -13.643 2.023 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.005 -14.362 5.196 1.00 0.00 H new ATOM 0 HD2 TYR A 3 10.826 -11.319 2.456 1.00 0.00 H new ATOM 0 HE1 TYR A 3 13.539 -12.785 6.288 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.365 -9.744 3.542 1.00 0.00 H new ATOM 0 HH TYR A 3 13.864 -9.422 5.133 1.00 0.00 H new ATOM 53 N LYS A 4 7.005 -14.273 2.310 1.00 0.00 N ATOM 54 CA LYS A 4 6.093 -15.002 1.448 1.00 0.00 C ATOM 55 C LYS A 4 6.561 -14.916 0.002 1.00 0.00 C ATOM 56 O LYS A 4 7.072 -13.885 -0.435 1.00 0.00 O ATOM 57 CB LYS A 4 4.669 -14.456 1.583 1.00 0.00 C ATOM 58 CG LYS A 4 4.178 -14.398 3.021 1.00 0.00 C ATOM 59 CD LYS A 4 4.308 -15.744 3.714 1.00 0.00 C ATOM 60 CE LYS A 4 3.939 -15.652 5.185 1.00 0.00 C ATOM 61 NZ LYS A 4 2.510 -15.297 5.382 1.00 0.00 N ATOM 0 H LYS A 4 6.752 -13.297 2.468 1.00 0.00 H new ATOM 0 HA LYS A 4 6.086 -16.048 1.754 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.629 -13.455 1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.992 -15.081 1.001 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.749 -13.649 3.570 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.136 -14.080 3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.663 -16.472 3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.331 -16.107 3.617 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.145 -16.606 5.670 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.568 -14.905 5.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.277 -15.344 6.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.341 -14.332 5.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.911 -15.965 4.857 1.00 0.00 H new ATOM 75 N ALA A 5 6.404 -16.008 -0.731 1.00 0.00 N ATOM 76 CA ALA A 5 6.833 -16.065 -2.119 1.00 0.00 C ATOM 77 C ALA A 5 5.726 -15.591 -3.053 1.00 0.00 C ATOM 78 O ALA A 5 4.567 -15.981 -2.901 1.00 0.00 O ATOM 79 CB ALA A 5 7.259 -17.481 -2.479 1.00 0.00 C ATOM 0 H ALA A 5 5.981 -16.869 -0.385 1.00 0.00 H new ATOM 0 HA ALA A 5 7.686 -15.397 -2.240 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.578 -17.511 -3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.085 -17.787 -1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.419 -18.161 -2.337 1.00 0.00 H new ATOM 85 N PRO A 6 6.067 -14.737 -4.029 1.00 0.00 N ATOM 86 CA PRO A 6 5.109 -14.265 -5.023 1.00 0.00 C ATOM 87 C PRO A 6 4.856 -15.314 -6.105 1.00 0.00 C ATOM 88 O PRO A 6 5.744 -15.634 -6.897 1.00 0.00 O ATOM 89 CB PRO A 6 5.795 -13.031 -5.612 1.00 0.00 C ATOM 90 CG PRO A 6 7.257 -13.287 -5.448 1.00 0.00 C ATOM 91 CD PRO A 6 7.407 -14.143 -4.217 1.00 0.00 C ATOM 0 HA PRO A 6 4.130 -14.053 -4.594 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.533 -12.897 -6.662 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.492 -12.124 -5.089 1.00 0.00 H new ATOM 0 HG2 PRO A 6 7.663 -13.793 -6.324 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.805 -12.351 -5.339 1.00 0.00 H new ATOM 0 HD2 PRO A 6 8.168 -14.911 -4.355 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.706 -13.550 -3.353 1.00 0.00 H new ATOM 99 N GLU A 7 3.647 -15.863 -6.112 1.00 0.00 N ATOM 100 CA GLU A 7 3.279 -16.905 -7.064 1.00 0.00 C ATOM 101 C GLU A 7 3.190 -16.321 -8.469 1.00 0.00 C ATOM 102 O GLU A 7 4.093 -16.495 -9.289 1.00 0.00 O ATOM 103 CB GLU A 7 1.933 -17.519 -6.678 1.00 0.00 C ATOM 104 CG GLU A 7 1.814 -17.869 -5.205 1.00 0.00 C ATOM 105 CD GLU A 7 0.372 -17.925 -4.754 1.00 0.00 C ATOM 106 OE1 GLU A 7 -0.266 -16.853 -4.671 1.00 0.00 O ATOM 107 OE2 GLU A 7 -0.137 -19.029 -4.485 1.00 0.00 O ATOM 0 H GLU A 7 2.902 -15.603 -5.466 1.00 0.00 H new ATOM 0 HA GLU A 7 4.044 -17.681 -7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.138 -16.821 -6.940 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.774 -18.421 -7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.290 -18.832 -5.021 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.352 -17.130 -4.611 1.00 0.00 H new ATOM 114 N GLY A 8 2.093 -15.626 -8.733 1.00 0.00 N ATOM 115 CA GLY A 8 1.927 -14.944 -9.999 1.00 0.00 C ATOM 116 C GLY A 8 1.555 -13.488 -9.812 1.00 0.00 C ATOM 117 O GLY A 8 1.486 -12.726 -10.780 1.00 0.00 O ATOM 0 H GLY A 8 1.310 -15.522 -8.088 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.852 -15.012 -10.572 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.154 -15.444 -10.582 1.00 0.00 H new ATOM 121 N LYS A 9 1.312 -13.106 -8.560 1.00 0.00 N ATOM 122 CA LYS A 9 0.944 -11.737 -8.223 1.00 0.00 C ATOM 123 C LYS A 9 2.122 -10.796 -8.422 1.00 0.00 C ATOM 124 O LYS A 9 3.281 -11.212 -8.352 1.00 0.00 O ATOM 125 CB LYS A 9 0.462 -11.649 -6.771 1.00 0.00 C ATOM 126 CG LYS A 9 1.496 -12.113 -5.750 1.00 0.00 C ATOM 127 CD LYS A 9 1.036 -11.858 -4.324 1.00 0.00 C ATOM 128 CE LYS A 9 -0.252 -12.594 -4.001 1.00 0.00 C ATOM 129 NZ LYS A 9 -0.682 -12.358 -2.598 1.00 0.00 N ATOM 0 H LYS A 9 1.365 -13.733 -7.757 1.00 0.00 H new ATOM 0 HA LYS A 9 0.134 -11.438 -8.888 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.186 -10.618 -6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.440 -12.251 -6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.688 -13.177 -5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.438 -11.595 -5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.816 -12.171 -3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.889 -10.788 -4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.038 -12.268 -4.682 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.111 -13.663 -4.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.682 -12.623 -2.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.101 -12.934 -1.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.564 -11.352 -2.363 1.00 0.00 H new ATOM 143 N GLY A 10 1.820 -9.533 -8.668 1.00 0.00 N ATOM 144 CA GLY A 10 2.859 -8.550 -8.823 1.00 0.00 C ATOM 145 C GLY A 10 2.588 -7.313 -8.001 1.00 0.00 C ATOM 146 O GLY A 10 2.167 -7.400 -6.846 1.00 0.00 O ATOM 0 H GLY A 10 0.870 -9.174 -8.763 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.815 -8.982 -8.526 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.946 -8.276 -9.874 1.00 0.00 H new ATOM 150 N TYR A 11 2.787 -6.158 -8.612 1.00 0.00 N ATOM 151 CA TYR A 11 2.660 -4.883 -7.915 1.00 0.00 C ATOM 152 C TYR A 11 1.195 -4.541 -7.663 1.00 0.00 C ATOM 153 O TYR A 11 0.877 -3.532 -7.041 1.00 0.00 O ATOM 154 CB TYR A 11 3.314 -3.773 -8.734 1.00 0.00 C ATOM 155 CG TYR A 11 2.525 -3.375 -9.961 1.00 0.00 C ATOM 156 CD1 TYR A 11 2.279 -4.285 -10.982 1.00 0.00 C ATOM 157 CD2 TYR A 11 2.018 -2.090 -10.092 1.00 0.00 C ATOM 158 CE1 TYR A 11 1.547 -3.929 -12.093 1.00 0.00 C ATOM 159 CE2 TYR A 11 1.284 -1.725 -11.200 1.00 0.00 C ATOM 160 CZ TYR A 11 1.054 -2.646 -12.200 1.00 0.00 C ATOM 161 OH TYR A 11 0.324 -2.283 -13.306 1.00 0.00 O ATOM 0 H TYR A 11 3.039 -6.074 -9.597 1.00 0.00 H new ATOM 0 HA TYR A 11 3.164 -4.970 -6.953 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.448 -2.897 -8.100 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.308 -4.099 -9.042 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.669 -5.289 -10.903 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.201 -1.364 -9.313 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.360 -4.650 -12.875 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.891 -0.723 -11.285 1.00 0.00 H new ATOM 0 HH TYR A 11 0.050 -1.346 -13.224 1.00 0.00 H new ATOM 171 N ALA A 12 0.313 -5.403 -8.128 1.00 0.00 N ATOM 172 CA ALA A 12 -1.112 -5.148 -8.054 1.00 0.00 C ATOM 173 C ALA A 12 -1.677 -5.696 -6.757 1.00 0.00 C ATOM 174 O ALA A 12 -2.734 -5.263 -6.293 1.00 0.00 O ATOM 175 CB ALA A 12 -1.828 -5.754 -9.253 1.00 0.00 C ATOM 0 H ALA A 12 0.560 -6.292 -8.564 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.274 -4.070 -8.073 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.897 -5.552 -9.179 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.438 -5.313 -10.171 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.663 -6.831 -9.269 1.00 0.00 H new ATOM 181 N ASP A 13 -0.964 -6.643 -6.160 1.00 0.00 N ATOM 182 CA ASP A 13 -1.399 -7.224 -4.904 1.00 0.00 C ATOM 183 C ASP A 13 -0.797 -6.438 -3.760 1.00 0.00 C ATOM 184 O ASP A 13 -1.439 -6.188 -2.740 1.00 0.00 O ATOM 185 CB ASP A 13 -0.987 -8.693 -4.811 1.00 0.00 C ATOM 186 CG ASP A 13 -1.526 -9.371 -3.568 1.00 0.00 C ATOM 187 OD1 ASP A 13 -2.728 -9.704 -3.545 1.00 0.00 O ATOM 188 OD2 ASP A 13 -0.753 -9.596 -2.615 1.00 0.00 O ATOM 0 H ASP A 13 -0.089 -7.020 -6.525 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.487 -7.178 -4.849 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.344 -9.223 -5.694 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.101 -8.763 -4.816 1.00 0.00 H new ATOM 193 N VAL A 14 0.435 -5.999 -3.970 1.00 0.00 N ATOM 194 CA VAL A 14 1.171 -5.294 -2.958 1.00 0.00 C ATOM 195 C VAL A 14 0.658 -3.859 -2.811 1.00 0.00 C ATOM 196 O VAL A 14 0.644 -3.310 -1.710 1.00 0.00 O ATOM 197 CB VAL A 14 2.678 -5.325 -3.278 1.00 0.00 C ATOM 198 CG1 VAL A 14 2.981 -4.727 -4.635 1.00 0.00 C ATOM 199 CG2 VAL A 14 3.457 -4.616 -2.212 1.00 0.00 C ATOM 0 H VAL A 14 0.942 -6.126 -4.846 1.00 0.00 H new ATOM 0 HA VAL A 14 1.018 -5.794 -2.001 1.00 0.00 H new ATOM 0 HB VAL A 14 2.982 -6.371 -3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.054 -4.769 -4.820 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.457 -5.292 -5.407 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.650 -3.689 -4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.519 -4.648 -2.455 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.130 -3.578 -2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.289 -5.105 -1.253 1.00 0.00 H new ATOM 209 N ALA A 15 0.201 -3.273 -3.917 1.00 0.00 N ATOM 210 CA ALA A 15 -0.407 -1.949 -3.888 1.00 0.00 C ATOM 211 C ALA A 15 -1.602 -1.926 -2.942 1.00 0.00 C ATOM 212 O ALA A 15 -1.736 -1.025 -2.113 1.00 0.00 O ATOM 213 CB ALA A 15 -0.836 -1.536 -5.285 1.00 0.00 C ATOM 0 H ALA A 15 0.242 -3.697 -4.844 1.00 0.00 H new ATOM 0 HA ALA A 15 0.335 -1.239 -3.523 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.289 -0.545 -5.249 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.034 -1.514 -5.941 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.562 -2.252 -5.669 1.00 0.00 H new ATOM 219 N THR A 16 -2.450 -2.940 -3.059 1.00 0.00 N ATOM 220 CA THR A 16 -3.633 -3.055 -2.224 1.00 0.00 C ATOM 221 C THR A 16 -3.242 -3.282 -0.765 1.00 0.00 C ATOM 222 O THR A 16 -3.895 -2.783 0.152 1.00 0.00 O ATOM 223 CB THR A 16 -4.526 -4.218 -2.703 1.00 0.00 C ATOM 224 OG1 THR A 16 -4.623 -4.195 -4.132 1.00 0.00 O ATOM 225 CG2 THR A 16 -5.918 -4.116 -2.104 1.00 0.00 C ATOM 0 H THR A 16 -2.336 -3.699 -3.731 1.00 0.00 H new ATOM 0 HA THR A 16 -4.190 -2.122 -2.303 1.00 0.00 H new ATOM 0 HB THR A 16 -4.073 -5.154 -2.376 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.867 -4.684 -4.519 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.528 -4.947 -2.457 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.850 -4.152 -1.017 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.377 -3.175 -2.408 1.00 0.00 H new ATOM 233 N HIS A 17 -2.154 -4.014 -0.557 1.00 0.00 N ATOM 234 CA HIS A 17 -1.701 -4.346 0.778 1.00 0.00 C ATOM 235 C HIS A 17 -1.126 -3.137 1.498 1.00 0.00 C ATOM 236 O HIS A 17 -1.187 -3.050 2.725 1.00 0.00 O ATOM 237 CB HIS A 17 -0.672 -5.468 0.710 1.00 0.00 C ATOM 238 CG HIS A 17 -1.272 -6.844 0.756 1.00 0.00 C ATOM 239 ND1 HIS A 17 -1.876 -7.368 1.881 1.00 0.00 N ATOM 240 CD2 HIS A 17 -1.343 -7.811 -0.186 1.00 0.00 C ATOM 241 CE1 HIS A 17 -2.287 -8.598 1.625 1.00 0.00 C ATOM 242 NE2 HIS A 17 -1.976 -8.889 0.378 1.00 0.00 N ATOM 0 H HIS A 17 -1.570 -4.388 -1.304 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.564 -4.682 1.352 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.095 -5.364 -0.209 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.027 -5.358 1.539 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -0.970 -7.746 -1.197 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -2.792 -9.253 2.320 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -2.174 -9.773 -0.092 1.00 0.00 H new ATOM 251 N PHE A 18 -0.594 -2.194 0.737 1.00 0.00 N ATOM 252 CA PHE A 18 0.022 -1.014 1.320 1.00 0.00 C ATOM 253 C PHE A 18 -1.035 -0.056 1.850 1.00 0.00 C ATOM 254 O PHE A 18 -0.756 0.777 2.709 1.00 0.00 O ATOM 255 CB PHE A 18 0.892 -0.299 0.289 1.00 0.00 C ATOM 256 CG PHE A 18 2.156 0.250 0.868 1.00 0.00 C ATOM 257 CD1 PHE A 18 3.208 -0.598 1.160 1.00 0.00 C ATOM 258 CD2 PHE A 18 2.295 1.603 1.118 1.00 0.00 C ATOM 259 CE1 PHE A 18 4.382 -0.106 1.696 1.00 0.00 C ATOM 260 CE2 PHE A 18 3.466 2.103 1.654 1.00 0.00 C ATOM 261 CZ PHE A 18 4.512 1.245 1.941 1.00 0.00 C ATOM 0 H PHE A 18 -0.576 -2.223 -0.282 1.00 0.00 H new ATOM 0 HA PHE A 18 0.648 -1.340 2.151 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.139 -0.994 -0.514 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.321 0.515 -0.158 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.111 -1.656 0.967 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.480 2.275 0.892 1.00 0.00 H new ATOM 0 HE1 PHE A 18 5.197 -0.778 1.923 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.564 3.161 1.848 1.00 0.00 H new ATOM 0 HZ PHE A 18 5.430 1.633 2.357 1.00 0.00 H new ATOM 271 N ARG A 19 -2.255 -0.191 1.350 1.00 0.00 N ATOM 272 CA ARG A 19 -3.329 0.718 1.725 1.00 0.00 C ATOM 273 C ARG A 19 -3.717 0.527 3.186 1.00 0.00 C ATOM 274 O ARG A 19 -4.236 1.442 3.823 1.00 0.00 O ATOM 275 CB ARG A 19 -4.548 0.517 0.827 1.00 0.00 C ATOM 276 CG ARG A 19 -4.199 0.429 -0.649 1.00 0.00 C ATOM 277 CD ARG A 19 -5.382 0.792 -1.529 1.00 0.00 C ATOM 278 NE ARG A 19 -5.604 2.238 -1.558 1.00 0.00 N ATOM 279 CZ ARG A 19 -6.444 2.846 -2.395 1.00 0.00 C ATOM 280 NH1 ARG A 19 -7.215 2.133 -3.205 1.00 0.00 N ATOM 281 NH2 ARG A 19 -6.518 4.169 -2.405 1.00 0.00 N ATOM 0 H ARG A 19 -2.525 -0.917 0.687 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.965 1.737 1.594 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.065 -0.395 1.126 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.244 1.342 0.980 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.366 1.097 -0.866 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.867 -0.582 -0.885 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.208 0.429 -2.542 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.278 0.292 -1.161 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.084 2.816 -0.897 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.167 1.114 -3.189 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.856 2.603 -3.844 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.934 4.717 -1.774 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.159 4.639 -3.044 1.00 0.00 H new ATOM 295 N THR A 20 -3.442 -0.656 3.714 1.00 0.00 N ATOM 296 CA THR A 20 -3.721 -0.956 5.110 1.00 0.00 C ATOM 297 C THR A 20 -2.687 -0.276 6.009 1.00 0.00 C ATOM 298 O THR A 20 -2.971 0.086 7.149 1.00 0.00 O ATOM 299 CB THR A 20 -3.688 -2.478 5.357 1.00 0.00 C ATOM 300 OG1 THR A 20 -4.410 -3.155 4.316 1.00 0.00 O ATOM 301 CG2 THR A 20 -4.299 -2.829 6.707 1.00 0.00 C ATOM 0 H THR A 20 -3.024 -1.427 3.194 1.00 0.00 H new ATOM 0 HA THR A 20 -4.716 -0.580 5.347 1.00 0.00 H new ATOM 0 HB THR A 20 -2.646 -2.799 5.355 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.385 -4.122 4.476 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.262 -3.908 6.854 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.737 -2.336 7.500 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.336 -2.494 6.735 1.00 0.00 H new ATOM 309 N LEU A 21 -1.497 -0.078 5.456 1.00 0.00 N ATOM 310 CA LEU A 21 -0.378 0.497 6.188 1.00 0.00 C ATOM 311 C LEU A 21 -0.514 2.007 6.286 1.00 0.00 C ATOM 312 O LEU A 21 -0.043 2.626 7.239 1.00 0.00 O ATOM 313 CB LEU A 21 0.938 0.152 5.488 1.00 0.00 C ATOM 314 CG LEU A 21 1.303 -1.331 5.461 1.00 0.00 C ATOM 315 CD1 LEU A 21 2.422 -1.575 4.465 1.00 0.00 C ATOM 316 CD2 LEU A 21 1.727 -1.799 6.841 1.00 0.00 C ATOM 0 H LEU A 21 -1.281 -0.312 4.487 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.380 0.078 7.194 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.888 0.514 4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.744 0.697 5.980 1.00 0.00 H new ATOM 0 HG LEU A 21 0.424 -1.898 5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.674 -2.635 4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.097 -1.269 3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.299 -0.996 4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.983 -2.858 6.803 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.595 -1.227 7.168 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.907 -1.649 7.544 1.00 0.00 H new ATOM 328 N ILE A 22 -1.166 2.596 5.300 1.00 0.00 N ATOM 329 CA ILE A 22 -1.281 4.041 5.243 1.00 0.00 C ATOM 330 C ILE A 22 -2.535 4.530 5.973 1.00 0.00 C ATOM 331 O ILE A 22 -2.738 5.734 6.131 1.00 0.00 O ATOM 332 CB ILE A 22 -1.273 4.553 3.780 1.00 0.00 C ATOM 333 CG1 ILE A 22 -1.135 6.072 3.737 1.00 0.00 C ATOM 334 CG2 ILE A 22 -2.532 4.121 3.047 1.00 0.00 C ATOM 335 CD1 ILE A 22 0.091 6.575 4.455 1.00 0.00 C ATOM 0 H ILE A 22 -1.621 2.100 4.533 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.409 4.452 5.751 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.412 4.112 3.278 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.099 6.398 2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.021 6.524 4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.502 4.493 2.023 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.592 3.033 3.037 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.406 4.527 3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.131 7.662 4.388 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.047 6.277 5.503 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.983 6.150 3.994 1.00 0.00 H new ATOM 347 N LYS A 23 -3.392 3.608 6.407 1.00 0.00 N ATOM 348 CA LYS A 23 -4.484 3.992 7.289 1.00 0.00 C ATOM 349 C LYS A 23 -3.876 4.449 8.602 1.00 0.00 C ATOM 350 O LYS A 23 -3.762 5.648 8.857 1.00 0.00 O ATOM 351 CB LYS A 23 -5.488 2.853 7.502 1.00 0.00 C ATOM 352 CG LYS A 23 -6.179 2.417 6.220 1.00 0.00 C ATOM 353 CD LYS A 23 -7.508 1.724 6.490 1.00 0.00 C ATOM 354 CE LYS A 23 -7.340 0.429 7.265 1.00 0.00 C ATOM 355 NZ LYS A 23 -8.648 -0.246 7.469 1.00 0.00 N ATOM 0 H LYS A 23 -3.353 2.617 6.169 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.053 4.802 6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.971 1.998 7.937 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.241 3.171 8.223 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.347 3.287 5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.525 1.742 5.668 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.158 2.397 7.049 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.005 1.515 5.542 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.664 -0.236 6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.880 0.637 8.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.499 -1.153 7.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.265 0.360 8.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.097 -0.419 6.547 1.00 0.00 H new ATOM 369 N SER A 24 -3.498 3.508 9.447 1.00 0.00 N ATOM 370 CA SER A 24 -2.539 3.819 10.484 1.00 0.00 C ATOM 371 C SER A 24 -1.324 2.925 10.281 1.00 0.00 C ATOM 372 O SER A 24 -0.197 3.391 10.395 1.00 0.00 O ATOM 373 CB SER A 24 -3.150 3.608 11.872 1.00 0.00 C ATOM 374 OG SER A 24 -2.356 4.201 12.891 1.00 0.00 O ATOM 0 H SER A 24 -3.832 2.544 9.436 1.00 0.00 H new ATOM 0 HA SER A 24 -2.245 4.867 10.421 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.153 4.035 11.897 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.253 2.540 12.066 1.00 0.00 H new ATOM 0 HG SER A 24 -2.776 4.049 13.763 1.00 0.00 H new ATOM 380 N GLY A 25 -1.636 1.694 9.811 1.00 0.00 N ATOM 381 CA GLY A 25 -0.713 0.596 9.456 1.00 0.00 C ATOM 382 C GLY A 25 0.706 0.638 9.989 1.00 0.00 C ATOM 383 O GLY A 25 1.585 -0.010 9.425 1.00 0.00 O ATOM 0 H GLY A 25 -2.608 1.426 9.660 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.165 -0.337 9.792 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.657 0.550 8.368 1.00 0.00 H new ATOM 387 N GLU A 26 0.927 1.359 11.067 1.00 0.00 N ATOM 388 CA GLU A 26 2.261 1.568 11.616 1.00 0.00 C ATOM 389 C GLU A 26 3.184 2.250 10.592 1.00 0.00 C ATOM 390 O GLU A 26 4.393 2.356 10.809 1.00 0.00 O ATOM 391 CB GLU A 26 2.858 0.238 12.072 1.00 0.00 C ATOM 392 CG GLU A 26 1.966 -0.519 13.040 1.00 0.00 C ATOM 393 CD GLU A 26 2.631 -1.760 13.595 1.00 0.00 C ATOM 394 OE1 GLU A 26 3.331 -1.664 14.624 1.00 0.00 O ATOM 395 OE2 GLU A 26 2.458 -2.847 12.998 1.00 0.00 O ATOM 0 H GLU A 26 0.186 1.822 11.594 1.00 0.00 H new ATOM 0 HA GLU A 26 2.173 2.229 12.478 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.047 -0.386 11.199 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.822 0.424 12.546 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.689 0.139 13.863 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.043 -0.801 12.533 1.00 0.00 H new ATOM 402 N LEU A 27 2.607 2.720 9.482 1.00 0.00 N ATOM 403 CA LEU A 27 3.358 3.403 8.440 1.00 0.00 C ATOM 404 C LEU A 27 2.662 4.710 8.106 1.00 0.00 C ATOM 405 O LEU A 27 2.657 5.153 6.960 1.00 0.00 O ATOM 406 CB LEU A 27 3.485 2.539 7.173 1.00 0.00 C ATOM 407 CG LEU A 27 4.686 1.585 7.128 1.00 0.00 C ATOM 408 CD1 LEU A 27 4.503 0.412 8.077 1.00 0.00 C ATOM 409 CD2 LEU A 27 4.911 1.090 5.710 1.00 0.00 C ATOM 0 H LEU A 27 1.609 2.635 9.287 1.00 0.00 H new ATOM 0 HA LEU A 27 4.365 3.595 8.809 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.574 1.950 7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.540 3.202 6.309 1.00 0.00 H new ATOM 0 HG LEU A 27 5.566 2.140 7.454 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.373 -0.242 8.018 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.395 0.782 9.097 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.609 -0.146 7.798 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.766 0.414 5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.023 0.561 5.364 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.106 1.939 5.055 1.00 0.00 H new ATOM 421 N ALA A 28 2.071 5.312 9.131 1.00 0.00 N ATOM 422 CA ALA A 28 1.371 6.580 8.997 1.00 0.00 C ATOM 423 C ALA A 28 2.302 7.671 8.453 1.00 0.00 C ATOM 424 O ALA A 28 3.527 7.514 8.465 1.00 0.00 O ATOM 425 CB ALA A 28 0.790 6.978 10.348 1.00 0.00 C ATOM 0 H ALA A 28 2.065 4.933 10.078 1.00 0.00 H new ATOM 0 HA ALA A 28 0.559 6.464 8.280 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.264 7.928 10.252 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.094 6.210 10.685 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.596 7.081 11.075 1.00 0.00 H new ATOM 431 N PRO A 29 1.748 8.815 8.009 1.00 0.00 N ATOM 432 CA PRO A 29 2.532 9.856 7.354 1.00 0.00 C ATOM 433 C PRO A 29 3.401 10.617 8.347 1.00 0.00 C ATOM 434 O PRO A 29 2.912 11.179 9.329 1.00 0.00 O ATOM 435 CB PRO A 29 1.475 10.793 6.748 1.00 0.00 C ATOM 436 CG PRO A 29 0.172 10.077 6.885 1.00 0.00 C ATOM 437 CD PRO A 29 0.327 9.169 8.066 1.00 0.00 C ATOM 0 HA PRO A 29 3.217 9.442 6.614 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.453 11.749 7.272 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.696 11.007 5.702 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.646 10.780 7.038 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.059 9.510 5.983 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.071 9.670 9.000 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.314 8.290 7.989 1.00 0.00 H new ATOM 445 N GLY A 30 4.693 10.623 8.063 1.00 0.00 N ATOM 446 CA GLY A 30 5.674 11.163 8.975 1.00 0.00 C ATOM 447 C GLY A 30 6.826 10.197 9.165 1.00 0.00 C ATOM 448 O GLY A 30 7.860 10.543 9.738 1.00 0.00 O ATOM 0 H GLY A 30 5.085 10.254 7.196 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.049 12.112 8.591 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.206 11.371 9.937 1.00 0.00 H new ATOM 452 N ASP A 31 6.629 8.974 8.693 1.00 0.00 N ATOM 453 CA ASP A 31 7.659 7.942 8.745 1.00 0.00 C ATOM 454 C ASP A 31 8.268 7.756 7.355 1.00 0.00 C ATOM 455 O ASP A 31 7.718 8.235 6.367 1.00 0.00 O ATOM 456 CB ASP A 31 7.061 6.622 9.247 1.00 0.00 C ATOM 457 CG ASP A 31 8.106 5.648 9.764 1.00 0.00 C ATOM 458 OD1 ASP A 31 9.313 5.978 9.740 1.00 0.00 O ATOM 459 OD2 ASP A 31 7.719 4.557 10.230 1.00 0.00 O ATOM 0 H ASP A 31 5.755 8.668 8.265 1.00 0.00 H new ATOM 0 HA ASP A 31 8.442 8.251 9.438 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.347 6.834 10.042 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.505 6.151 8.436 1.00 0.00 H new ATOM 464 N THR A 32 9.417 7.107 7.285 1.00 0.00 N ATOM 465 CA THR A 32 10.074 6.845 6.009 1.00 0.00 C ATOM 466 C THR A 32 9.757 5.434 5.510 1.00 0.00 C ATOM 467 O THR A 32 9.479 4.534 6.305 1.00 0.00 O ATOM 468 CB THR A 32 11.598 7.030 6.127 1.00 0.00 C ATOM 469 OG1 THR A 32 12.055 6.515 7.383 1.00 0.00 O ATOM 470 CG2 THR A 32 11.982 8.496 6.009 1.00 0.00 C ATOM 0 H THR A 32 9.919 6.749 8.098 1.00 0.00 H new ATOM 0 HA THR A 32 9.690 7.565 5.286 1.00 0.00 H new ATOM 0 HB THR A 32 12.070 6.483 5.311 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.025 6.634 7.452 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.064 8.597 6.096 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.658 8.880 5.042 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.500 9.064 6.805 1.00 0.00 H new ATOM 478 N LEU A 33 9.801 5.245 4.194 1.00 0.00 N ATOM 479 CA LEU A 33 9.436 3.967 3.585 1.00 0.00 C ATOM 480 C LEU A 33 10.492 2.894 3.838 1.00 0.00 C ATOM 481 O LEU A 33 11.648 3.042 3.448 1.00 0.00 O ATOM 482 CB LEU A 33 9.220 4.111 2.072 1.00 0.00 C ATOM 483 CG LEU A 33 7.825 4.570 1.632 1.00 0.00 C ATOM 484 CD1 LEU A 33 7.570 6.001 2.044 1.00 0.00 C ATOM 485 CD2 LEU A 33 7.659 4.422 0.129 1.00 0.00 C ATOM 0 H LEU A 33 10.086 5.962 3.527 1.00 0.00 H new ATOM 0 HA LEU A 33 8.502 3.658 4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.952 4.820 1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.429 3.150 1.602 1.00 0.00 H new ATOM 0 HG LEU A 33 7.094 3.933 2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.574 6.301 1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.639 6.085 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.313 6.651 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.662 4.753 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.406 5.030 -0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.789 3.376 -0.150 1.00 0.00 H new ATOM 497 N PRO A 34 10.094 1.797 4.502 1.00 0.00 N ATOM 498 CA PRO A 34 10.947 0.612 4.689 1.00 0.00 C ATOM 499 C PRO A 34 10.862 -0.330 3.519 1.00 0.00 C ATOM 500 O PRO A 34 11.396 -1.441 3.528 1.00 0.00 O ATOM 501 CB PRO A 34 10.308 -0.064 5.884 1.00 0.00 C ATOM 502 CG PRO A 34 8.856 0.258 5.766 1.00 0.00 C ATOM 503 CD PRO A 34 8.779 1.633 5.160 1.00 0.00 C ATOM 0 HA PRO A 34 11.998 0.878 4.804 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.478 -1.141 5.868 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.722 0.311 6.820 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.345 -0.473 5.139 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.372 0.235 6.742 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.960 1.711 4.445 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.612 2.397 5.919 1.00 0.00 H new ATOM 511 N SER A 35 10.174 0.142 2.528 1.00 0.00 N ATOM 512 CA SER A 35 9.621 -0.714 1.504 1.00 0.00 C ATOM 513 C SER A 35 10.585 -1.182 0.439 1.00 0.00 C ATOM 514 O SER A 35 10.397 -0.916 -0.748 1.00 0.00 O ATOM 515 CB SER A 35 8.475 0.039 0.844 1.00 0.00 C ATOM 516 OG SER A 35 8.834 1.385 0.596 1.00 0.00 O ATOM 0 H SER A 35 9.974 1.134 2.398 1.00 0.00 H new ATOM 0 HA SER A 35 9.306 -1.627 2.009 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.206 -0.449 -0.093 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.595 0.005 1.486 1.00 0.00 H new ATOM 0 HG SER A 35 9.596 1.412 -0.020 1.00 0.00 H new ATOM 522 N VAL A 36 11.620 -1.865 0.855 1.00 0.00 N ATOM 523 CA VAL A 36 12.153 -2.983 0.113 1.00 0.00 C ATOM 524 C VAL A 36 11.679 -4.295 0.733 1.00 0.00 C ATOM 525 O VAL A 36 11.013 -5.120 0.110 1.00 0.00 O ATOM 526 CB VAL A 36 13.692 -2.932 0.007 1.00 0.00 C ATOM 527 CG1 VAL A 36 14.111 -1.966 -1.089 1.00 0.00 C ATOM 528 CG2 VAL A 36 14.305 -2.511 1.337 1.00 0.00 C ATOM 0 H VAL A 36 12.120 -1.662 1.721 1.00 0.00 H new ATOM 0 HA VAL A 36 11.773 -2.921 -0.907 1.00 0.00 H new ATOM 0 HB VAL A 36 14.054 -3.929 -0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 36 15.199 -1.939 -1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.699 -2.296 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 36 13.736 -0.969 -0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 36 15.391 -2.480 1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 36 13.936 -1.522 1.611 1.00 0.00 H new ATOM 0 HG23 VAL A 36 14.027 -3.229 2.109 1.00 0.00 H new ATOM 538 N ALA A 37 12.027 -4.419 2.011 1.00 0.00 N ATOM 539 CA ALA A 37 11.959 -5.658 2.766 1.00 0.00 C ATOM 540 C ALA A 37 10.619 -5.863 3.445 1.00 0.00 C ATOM 541 O ALA A 37 9.935 -6.861 3.211 1.00 0.00 O ATOM 542 CB ALA A 37 13.050 -5.617 3.810 1.00 0.00 C ATOM 0 H ALA A 37 12.374 -3.634 2.562 1.00 0.00 H new ATOM 0 HA ALA A 37 12.087 -6.490 2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 37 13.027 -6.535 4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 37 14.019 -5.524 3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 37 12.892 -4.762 4.468 1.00 0.00 H new ATOM 548 N ASP A 38 10.282 -4.898 4.302 1.00 0.00 N ATOM 549 CA ASP A 38 9.093 -4.935 5.163 1.00 0.00 C ATOM 550 C ASP A 38 7.855 -5.396 4.419 1.00 0.00 C ATOM 551 O ASP A 38 6.961 -6.023 4.982 1.00 0.00 O ATOM 552 CB ASP A 38 8.853 -3.541 5.744 1.00 0.00 C ATOM 553 CG ASP A 38 9.838 -3.222 6.844 1.00 0.00 C ATOM 554 OD1 ASP A 38 11.057 -3.195 6.564 1.00 0.00 O ATOM 555 OD2 ASP A 38 9.407 -3.027 7.995 1.00 0.00 O ATOM 0 H ASP A 38 10.837 -4.051 4.421 1.00 0.00 H new ATOM 0 HA ASP A 38 9.280 -5.657 5.958 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.937 -2.796 4.952 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.837 -3.478 6.134 1.00 0.00 H new ATOM 560 N ILE A 39 7.833 -5.092 3.143 1.00 0.00 N ATOM 561 CA ILE A 39 6.681 -5.328 2.315 1.00 0.00 C ATOM 562 C ILE A 39 6.688 -6.739 1.763 1.00 0.00 C ATOM 563 O ILE A 39 5.752 -7.495 1.985 1.00 0.00 O ATOM 564 CB ILE A 39 6.619 -4.312 1.158 1.00 0.00 C ATOM 565 CG1 ILE A 39 6.338 -2.907 1.691 1.00 0.00 C ATOM 566 CG2 ILE A 39 5.551 -4.712 0.156 1.00 0.00 C ATOM 567 CD1 ILE A 39 7.431 -2.370 2.579 1.00 0.00 C ATOM 0 H ILE A 39 8.621 -4.671 2.650 1.00 0.00 H new ATOM 0 HA ILE A 39 5.796 -5.203 2.939 1.00 0.00 H new ATOM 0 HB ILE A 39 7.587 -4.308 0.656 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.199 -2.229 0.849 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.401 -2.919 2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.521 -3.983 -0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.783 -5.697 -0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.581 -4.744 0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.164 -1.370 2.920 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.555 -3.026 3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.365 -2.325 2.019 1.00 0.00 H new ATOM 579 N ARG A 40 7.767 -7.096 1.075 1.00 0.00 N ATOM 580 CA ARG A 40 7.827 -8.364 0.357 1.00 0.00 C ATOM 581 C ARG A 40 7.799 -9.556 1.308 1.00 0.00 C ATOM 582 O ARG A 40 7.513 -10.679 0.897 1.00 0.00 O ATOM 583 CB ARG A 40 9.075 -8.428 -0.521 1.00 0.00 C ATOM 584 CG ARG A 40 10.375 -8.568 0.251 1.00 0.00 C ATOM 585 CD ARG A 40 11.515 -8.951 -0.677 1.00 0.00 C ATOM 586 NE ARG A 40 11.192 -10.142 -1.466 1.00 0.00 N ATOM 587 CZ ARG A 40 12.070 -11.099 -1.769 1.00 0.00 C ATOM 588 NH1 ARG A 40 13.313 -11.035 -1.311 1.00 0.00 N ATOM 589 NH2 ARG A 40 11.698 -12.130 -2.518 1.00 0.00 N ATOM 0 H ARG A 40 8.610 -6.527 0.999 1.00 0.00 H new ATOM 0 HA ARG A 40 6.941 -8.418 -0.276 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.980 -9.270 -1.206 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.123 -7.525 -1.130 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.608 -7.629 0.753 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.262 -9.325 1.028 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.735 -8.119 -1.346 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.415 -9.135 -0.091 1.00 0.00 H new ATOM 0 HE ARG A 40 10.236 -10.246 -1.805 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.601 -10.252 -0.725 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.981 -11.769 -1.545 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.740 -12.191 -2.862 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.370 -12.861 -2.749 1.00 0.00 H new ATOM 603 N ALA A 41 8.109 -9.306 2.573 1.00 0.00 N ATOM 604 CA ALA A 41 8.060 -10.349 3.583 1.00 0.00 C ATOM 605 C ALA A 41 6.623 -10.782 3.833 1.00 0.00 C ATOM 606 O ALA A 41 6.277 -11.950 3.667 1.00 0.00 O ATOM 607 CB ALA A 41 8.699 -9.864 4.874 1.00 0.00 C ATOM 0 H ALA A 41 8.396 -8.391 2.922 1.00 0.00 H new ATOM 0 HA ALA A 41 8.621 -11.210 3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.655 -10.656 5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.740 -9.598 4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.161 -8.989 5.240 1.00 0.00 H new ATOM 613 N GLN A 42 5.791 -9.827 4.209 1.00 0.00 N ATOM 614 CA GLN A 42 4.401 -10.101 4.538 1.00 0.00 C ATOM 615 C GLN A 42 3.578 -10.196 3.274 1.00 0.00 C ATOM 616 O GLN A 42 2.836 -11.156 3.051 1.00 0.00 O ATOM 617 CB GLN A 42 3.852 -8.971 5.388 1.00 0.00 C ATOM 618 CG GLN A 42 2.593 -9.335 6.162 1.00 0.00 C ATOM 619 CD GLN A 42 2.852 -10.406 7.206 1.00 0.00 C ATOM 620 OE1 GLN A 42 3.949 -10.497 7.758 1.00 0.00 O ATOM 621 NE2 GLN A 42 1.851 -11.226 7.479 1.00 0.00 N ATOM 0 H GLN A 42 6.056 -8.846 4.295 1.00 0.00 H new ATOM 0 HA GLN A 42 4.348 -11.044 5.082 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.621 -8.654 6.093 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.637 -8.118 4.745 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.197 -8.444 6.649 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.829 -9.684 5.467 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.957 -11.117 7.000 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.973 -11.967 8.169 1.00 0.00 H new ATOM 630 N PHE A 43 3.715 -9.174 2.458 1.00 0.00 N ATOM 631 CA PHE A 43 3.010 -9.088 1.207 1.00 0.00 C ATOM 632 C PHE A 43 3.867 -9.736 0.147 1.00 0.00 C ATOM 633 O PHE A 43 4.647 -9.066 -0.510 1.00 0.00 O ATOM 634 CB PHE A 43 2.726 -7.628 0.855 1.00 0.00 C ATOM 635 CG PHE A 43 2.263 -6.811 2.032 1.00 0.00 C ATOM 636 CD1 PHE A 43 1.292 -7.293 2.897 1.00 0.00 C ATOM 637 CD2 PHE A 43 2.809 -5.563 2.280 1.00 0.00 C ATOM 638 CE1 PHE A 43 0.875 -6.545 3.982 1.00 0.00 C ATOM 639 CE2 PHE A 43 2.395 -4.812 3.360 1.00 0.00 C ATOM 640 CZ PHE A 43 1.429 -5.304 4.214 1.00 0.00 C ATOM 0 H PHE A 43 4.323 -8.377 2.649 1.00 0.00 H new ATOM 0 HA PHE A 43 2.051 -9.601 1.276 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.629 -7.179 0.442 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.966 -7.591 0.074 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.856 -8.265 2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.569 -5.173 1.619 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.117 -6.932 4.647 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.827 -3.838 3.538 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.108 -4.718 5.062 1.00 0.00 H new ATOM 650 N GLY A 44 3.757 -11.055 0.083 1.00 0.00 N ATOM 651 CA GLY A 44 4.550 -11.887 -0.821 1.00 0.00 C ATOM 652 C GLY A 44 4.771 -11.306 -2.208 1.00 0.00 C ATOM 653 O GLY A 44 4.007 -11.573 -3.137 1.00 0.00 O ATOM 0 H GLY A 44 3.108 -11.587 0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.522 -12.070 -0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.059 -12.854 -0.924 1.00 0.00 H new ATOM 657 N VAL A 45 5.833 -10.523 -2.330 1.00 0.00 N ATOM 658 CA VAL A 45 6.257 -9.935 -3.593 1.00 0.00 C ATOM 659 C VAL A 45 7.783 -9.946 -3.654 1.00 0.00 C ATOM 660 O VAL A 45 8.441 -10.395 -2.710 1.00 0.00 O ATOM 661 CB VAL A 45 5.736 -8.479 -3.778 1.00 0.00 C ATOM 662 CG1 VAL A 45 4.231 -8.440 -3.964 1.00 0.00 C ATOM 663 CG2 VAL A 45 6.116 -7.586 -2.611 1.00 0.00 C ATOM 0 H VAL A 45 6.433 -10.275 -1.544 1.00 0.00 H new ATOM 0 HA VAL A 45 5.832 -10.532 -4.400 1.00 0.00 H new ATOM 0 HB VAL A 45 6.216 -8.101 -4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.907 -7.407 -4.090 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.959 -9.016 -4.848 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.745 -8.869 -3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.732 -6.580 -2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.688 -7.986 -1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.202 -7.549 -2.519 1.00 0.00 H new ATOM 673 N ALA A 46 8.353 -9.482 -4.754 1.00 0.00 N ATOM 674 CA ALA A 46 9.799 -9.372 -4.854 1.00 0.00 C ATOM 675 C ALA A 46 10.243 -8.009 -4.339 1.00 0.00 C ATOM 676 O ALA A 46 9.418 -7.221 -3.872 1.00 0.00 O ATOM 677 CB ALA A 46 10.259 -9.588 -6.290 1.00 0.00 C ATOM 0 H ALA A 46 7.842 -9.178 -5.583 1.00 0.00 H new ATOM 0 HA ALA A 46 10.258 -10.147 -4.241 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.344 -9.501 -6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.958 -10.581 -6.623 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.804 -8.836 -6.935 1.00 0.00 H new ATOM 683 N ALA A 47 11.527 -7.708 -4.453 1.00 0.00 N ATOM 684 CA ALA A 47 12.065 -6.478 -3.886 1.00 0.00 C ATOM 685 C ALA A 47 11.728 -5.287 -4.771 1.00 0.00 C ATOM 686 O ALA A 47 11.465 -4.184 -4.287 1.00 0.00 O ATOM 687 CB ALA A 47 13.570 -6.594 -3.694 1.00 0.00 C ATOM 0 H ALA A 47 12.213 -8.293 -4.929 1.00 0.00 H new ATOM 0 HA ALA A 47 11.605 -6.319 -2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 47 13.955 -5.667 -3.270 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.788 -7.421 -3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 47 14.047 -6.778 -4.657 1.00 0.00 H new ATOM 693 N LYS A 48 11.718 -5.521 -6.075 1.00 0.00 N ATOM 694 CA LYS A 48 11.354 -4.488 -7.030 1.00 0.00 C ATOM 695 C LYS A 48 9.840 -4.430 -7.210 1.00 0.00 C ATOM 696 O LYS A 48 9.311 -3.471 -7.772 1.00 0.00 O ATOM 697 CB LYS A 48 12.044 -4.733 -8.378 1.00 0.00 C ATOM 698 CG LYS A 48 13.569 -4.648 -8.330 1.00 0.00 C ATOM 699 CD LYS A 48 14.065 -3.212 -8.151 1.00 0.00 C ATOM 700 CE LYS A 48 13.907 -2.712 -6.719 1.00 0.00 C ATOM 701 NZ LYS A 48 14.271 -1.276 -6.588 1.00 0.00 N ATOM 0 H LYS A 48 11.958 -6.419 -6.495 1.00 0.00 H new ATOM 0 HA LYS A 48 11.691 -3.528 -6.639 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.758 -5.719 -8.745 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.674 -4.005 -9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.939 -5.263 -7.510 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.983 -5.061 -9.250 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.115 -3.156 -8.438 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.515 -2.555 -8.824 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.876 -2.856 -6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.534 -3.307 -6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.150 -0.976 -5.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.263 -1.142 -6.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.656 -0.705 -7.201 1.00 0.00 H new ATOM 715 N THR A 49 9.143 -5.449 -6.718 1.00 0.00 N ATOM 716 CA THR A 49 7.693 -5.496 -6.823 1.00 0.00 C ATOM 717 C THR A 49 7.051 -4.477 -5.884 1.00 0.00 C ATOM 718 O THR A 49 6.075 -3.817 -6.246 1.00 0.00 O ATOM 719 CB THR A 49 7.157 -6.897 -6.501 1.00 0.00 C ATOM 720 OG1 THR A 49 7.922 -7.878 -7.204 1.00 0.00 O ATOM 721 CG2 THR A 49 5.703 -7.020 -6.907 1.00 0.00 C ATOM 0 H THR A 49 9.559 -6.250 -6.244 1.00 0.00 H new ATOM 0 HA THR A 49 7.432 -5.251 -7.853 1.00 0.00 H new ATOM 0 HB THR A 49 7.240 -7.058 -5.426 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.357 -8.654 -7.402 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.342 -8.021 -6.670 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.110 -6.283 -6.365 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.608 -6.845 -7.979 1.00 0.00 H new ATOM 729 N VAL A 50 7.607 -4.348 -4.679 1.00 0.00 N ATOM 730 CA VAL A 50 7.169 -3.340 -3.737 1.00 0.00 C ATOM 731 C VAL A 50 7.236 -1.957 -4.371 1.00 0.00 C ATOM 732 O VAL A 50 6.237 -1.242 -4.458 1.00 0.00 O ATOM 733 CB VAL A 50 8.070 -3.346 -2.499 1.00 0.00 C ATOM 734 CG1 VAL A 50 7.579 -2.337 -1.479 1.00 0.00 C ATOM 735 CG2 VAL A 50 8.171 -4.742 -1.901 1.00 0.00 C ATOM 0 H VAL A 50 8.366 -4.938 -4.339 1.00 0.00 H new ATOM 0 HA VAL A 50 6.142 -3.568 -3.453 1.00 0.00 H new ATOM 0 HB VAL A 50 9.074 -3.052 -2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.231 -2.355 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.590 -1.340 -1.919 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.562 -2.590 -1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.817 -4.716 -1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.178 -5.086 -1.611 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.590 -5.425 -2.640 1.00 0.00 H new ATOM 745 N SER A 51 8.429 -1.607 -4.832 1.00 0.00 N ATOM 746 CA SER A 51 8.673 -0.318 -5.462 1.00 0.00 C ATOM 747 C SER A 51 7.880 -0.166 -6.761 1.00 0.00 C ATOM 748 O SER A 51 7.749 0.938 -7.285 1.00 0.00 O ATOM 749 CB SER A 51 10.168 -0.139 -5.735 1.00 0.00 C ATOM 750 OG SER A 51 10.439 1.133 -6.297 1.00 0.00 O ATOM 0 H SER A 51 9.252 -2.207 -4.780 1.00 0.00 H new ATOM 0 HA SER A 51 8.336 0.457 -4.773 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.726 -0.255 -4.806 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.512 -0.920 -6.413 1.00 0.00 H new ATOM 0 HG SER A 51 9.635 1.471 -6.745 1.00 0.00 H new ATOM 756 N ARG A 52 7.345 -1.269 -7.270 1.00 0.00 N ATOM 757 CA ARG A 52 6.569 -1.227 -8.498 1.00 0.00 C ATOM 758 C ARG A 52 5.173 -0.700 -8.185 1.00 0.00 C ATOM 759 O ARG A 52 4.641 0.148 -8.900 1.00 0.00 O ATOM 760 CB ARG A 52 6.496 -2.616 -9.144 1.00 0.00 C ATOM 761 CG ARG A 52 6.039 -2.593 -10.595 1.00 0.00 C ATOM 762 CD ARG A 52 7.064 -1.915 -11.489 1.00 0.00 C ATOM 763 NE ARG A 52 8.366 -2.573 -11.420 1.00 0.00 N ATOM 764 CZ ARG A 52 9.523 -1.955 -11.627 1.00 0.00 C ATOM 765 NH1 ARG A 52 9.546 -0.669 -11.953 1.00 0.00 N ATOM 766 NH2 ARG A 52 10.657 -2.632 -11.515 1.00 0.00 N ATOM 0 H ARG A 52 7.434 -2.196 -6.854 1.00 0.00 H new ATOM 0 HA ARG A 52 7.055 -0.560 -9.210 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.479 -3.084 -9.089 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.813 -3.240 -8.567 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.870 -3.613 -10.941 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.086 -2.069 -10.670 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.708 -1.921 -12.519 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.169 -0.871 -11.194 1.00 0.00 H new ATOM 0 HE ARG A 52 8.388 -3.569 -11.199 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.672 -0.151 -12.046 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.437 -0.199 -12.111 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.638 -3.622 -11.271 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.549 -2.163 -11.673 1.00 0.00 H new ATOM 780 N ALA A 53 4.590 -1.202 -7.096 1.00 0.00 N ATOM 781 CA ALA A 53 3.326 -0.680 -6.592 1.00 0.00 C ATOM 782 C ALA A 53 3.491 0.742 -6.086 1.00 0.00 C ATOM 783 O ALA A 53 2.573 1.549 -6.184 1.00 0.00 O ATOM 784 CB ALA A 53 2.795 -1.557 -5.478 1.00 0.00 C ATOM 0 H ALA A 53 4.976 -1.970 -6.548 1.00 0.00 H new ATOM 0 HA ALA A 53 2.613 -0.679 -7.417 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.851 -1.151 -5.114 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.635 -2.567 -5.855 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.516 -1.585 -4.661 1.00 0.00 H new ATOM 790 N LEU A 54 4.666 1.038 -5.533 1.00 0.00 N ATOM 791 CA LEU A 54 4.967 2.381 -5.024 1.00 0.00 C ATOM 792 C LEU A 54 4.721 3.454 -6.085 1.00 0.00 C ATOM 793 O LEU A 54 4.334 4.578 -5.763 1.00 0.00 O ATOM 794 CB LEU A 54 6.411 2.471 -4.521 1.00 0.00 C ATOM 795 CG LEU A 54 6.716 1.654 -3.262 1.00 0.00 C ATOM 796 CD1 LEU A 54 8.164 1.844 -2.838 1.00 0.00 C ATOM 797 CD2 LEU A 54 5.778 2.046 -2.130 1.00 0.00 C ATOM 0 H LEU A 54 5.427 0.368 -5.425 1.00 0.00 H new ATOM 0 HA LEU A 54 4.291 2.562 -4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.078 2.142 -5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.645 3.517 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 54 6.559 0.600 -3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.361 1.256 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.824 1.515 -3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.346 2.898 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.010 1.455 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.904 3.105 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.747 1.860 -2.431 1.00 0.00 H new ATOM 809 N ALA A 55 4.921 3.095 -7.349 1.00 0.00 N ATOM 810 CA ALA A 55 4.674 4.012 -8.458 1.00 0.00 C ATOM 811 C ALA A 55 3.192 4.371 -8.551 1.00 0.00 C ATOM 812 O ALA A 55 2.826 5.423 -9.067 1.00 0.00 O ATOM 813 CB ALA A 55 5.155 3.399 -9.762 1.00 0.00 C ATOM 0 H ALA A 55 5.254 2.173 -7.632 1.00 0.00 H new ATOM 0 HA ALA A 55 5.232 4.930 -8.274 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.965 4.092 -10.582 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.224 3.198 -9.697 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.621 2.467 -9.945 1.00 0.00 H new ATOM 819 N VAL A 56 2.345 3.476 -8.066 1.00 0.00 N ATOM 820 CA VAL A 56 0.913 3.717 -8.003 1.00 0.00 C ATOM 821 C VAL A 56 0.554 4.334 -6.651 1.00 0.00 C ATOM 822 O VAL A 56 -0.375 5.135 -6.532 1.00 0.00 O ATOM 823 CB VAL A 56 0.123 2.400 -8.202 1.00 0.00 C ATOM 824 CG1 VAL A 56 -1.375 2.656 -8.224 1.00 0.00 C ATOM 825 CG2 VAL A 56 0.563 1.700 -9.479 1.00 0.00 C ATOM 0 H VAL A 56 2.630 2.565 -7.706 1.00 0.00 H new ATOM 0 HA VAL A 56 0.643 4.406 -8.804 1.00 0.00 H new ATOM 0 HB VAL A 56 0.340 1.748 -7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.903 1.713 -8.365 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.681 3.106 -7.279 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.616 3.333 -9.043 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.003 0.777 -9.601 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.382 2.353 -10.333 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.626 1.468 -9.419 1.00 0.00 H new ATOM 835 N LEU A 57 1.341 3.980 -5.640 1.00 0.00 N ATOM 836 CA LEU A 57 1.078 4.362 -4.257 1.00 0.00 C ATOM 837 C LEU A 57 1.388 5.827 -4.013 1.00 0.00 C ATOM 838 O LEU A 57 1.001 6.382 -2.996 1.00 0.00 O ATOM 839 CB LEU A 57 1.894 3.480 -3.309 1.00 0.00 C ATOM 840 CG LEU A 57 1.225 2.170 -2.869 1.00 0.00 C ATOM 841 CD1 LEU A 57 0.281 1.634 -3.937 1.00 0.00 C ATOM 842 CD2 LEU A 57 2.286 1.132 -2.548 1.00 0.00 C ATOM 0 H LEU A 57 2.183 3.417 -5.758 1.00 0.00 H new ATOM 0 HA LEU A 57 0.016 4.214 -4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.840 3.237 -3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.132 4.061 -2.418 1.00 0.00 H new ATOM 0 HG LEU A 57 0.634 2.379 -1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.173 0.706 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.500 2.369 -4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.839 1.443 -4.853 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.805 0.205 -2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.893 0.946 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.922 1.499 -1.743 1.00 0.00 H new ATOM 854 N LYS A 58 2.086 6.458 -4.934 1.00 0.00 N ATOM 855 CA LYS A 58 2.302 7.891 -4.832 1.00 0.00 C ATOM 856 C LYS A 58 0.962 8.622 -4.949 1.00 0.00 C ATOM 857 O LYS A 58 0.733 9.635 -4.293 1.00 0.00 O ATOM 858 CB LYS A 58 3.276 8.366 -5.910 1.00 0.00 C ATOM 859 CG LYS A 58 2.801 8.093 -7.322 1.00 0.00 C ATOM 860 CD LYS A 58 3.795 8.587 -8.355 1.00 0.00 C ATOM 861 CE LYS A 58 3.300 8.323 -9.766 1.00 0.00 C ATOM 862 NZ LYS A 58 4.261 8.809 -10.787 1.00 0.00 N ATOM 0 H LYS A 58 2.508 6.013 -5.749 1.00 0.00 H new ATOM 0 HA LYS A 58 2.743 8.117 -3.861 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.441 9.437 -5.792 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.238 7.877 -5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.643 7.022 -7.452 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.838 8.579 -7.482 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.963 9.656 -8.220 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.755 8.092 -8.205 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.137 7.254 -9.900 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.337 8.813 -9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.888 8.611 -11.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.397 9.834 -10.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.172 8.323 -10.665 1.00 0.00 H new ATOM 876 N SER A 59 0.086 8.096 -5.800 1.00 0.00 N ATOM 877 CA SER A 59 -1.257 8.630 -5.960 1.00 0.00 C ATOM 878 C SER A 59 -2.257 7.905 -5.049 1.00 0.00 C ATOM 879 O SER A 59 -2.980 8.525 -4.274 1.00 0.00 O ATOM 880 CB SER A 59 -1.694 8.483 -7.415 1.00 0.00 C ATOM 881 OG SER A 59 -0.672 8.912 -8.301 1.00 0.00 O ATOM 0 H SER A 59 0.288 7.292 -6.394 1.00 0.00 H new ATOM 0 HA SER A 59 -1.241 9.683 -5.679 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.944 7.442 -7.620 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.598 9.067 -7.587 1.00 0.00 H new ATOM 0 HG SER A 59 -0.976 8.806 -9.227 1.00 0.00 H new ATOM 887 N GLU A 60 -2.284 6.582 -5.150 1.00 0.00 N ATOM 888 CA GLU A 60 -3.324 5.783 -4.507 1.00 0.00 C ATOM 889 C GLU A 60 -2.948 5.398 -3.076 1.00 0.00 C ATOM 890 O GLU A 60 -3.814 5.244 -2.214 1.00 0.00 O ATOM 891 CB GLU A 60 -3.587 4.515 -5.326 1.00 0.00 C ATOM 892 CG GLU A 60 -3.846 4.768 -6.806 1.00 0.00 C ATOM 893 CD GLU A 60 -4.838 5.883 -7.058 1.00 0.00 C ATOM 894 OE1 GLU A 60 -5.960 5.828 -6.510 1.00 0.00 O ATOM 895 OE2 GLU A 60 -4.505 6.818 -7.816 1.00 0.00 O ATOM 0 H GLU A 60 -1.597 6.037 -5.672 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.226 6.394 -4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.730 3.849 -5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.446 3.994 -4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.903 5.012 -7.296 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.216 3.851 -7.265 1.00 0.00 H new ATOM 902 N GLY A 61 -1.656 5.236 -2.833 1.00 0.00 N ATOM 903 CA GLY A 61 -1.191 4.798 -1.528 1.00 0.00 C ATOM 904 C GLY A 61 -0.881 5.949 -0.596 1.00 0.00 C ATOM 905 O GLY A 61 -0.686 5.741 0.599 1.00 0.00 O ATOM 0 H GLY A 61 -0.917 5.400 -3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.950 4.162 -1.072 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.297 4.187 -1.653 1.00 0.00 H new ATOM 909 N LEU A 62 -0.820 7.159 -1.152 1.00 0.00 N ATOM 910 CA LEU A 62 -0.531 8.365 -0.377 1.00 0.00 C ATOM 911 C LEU A 62 0.870 8.321 0.237 1.00 0.00 C ATOM 912 O LEU A 62 1.039 8.520 1.440 1.00 0.00 O ATOM 913 CB LEU A 62 -1.587 8.574 0.716 1.00 0.00 C ATOM 914 CG LEU A 62 -2.826 9.375 0.302 1.00 0.00 C ATOM 915 CD1 LEU A 62 -3.589 8.677 -0.814 1.00 0.00 C ATOM 916 CD2 LEU A 62 -3.725 9.597 1.508 1.00 0.00 C ATOM 0 H LEU A 62 -0.969 7.330 -2.146 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.566 9.210 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.912 7.597 1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.115 9.080 1.558 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.497 10.342 -0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.462 9.271 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.941 8.567 -1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.911 7.693 -0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.604 10.167 1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.038 8.634 1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.179 10.150 2.272 1.00 0.00 H new ATOM 928 N VAL A 63 1.873 8.064 -0.594 1.00 0.00 N ATOM 929 CA VAL A 63 3.262 8.119 -0.149 1.00 0.00 C ATOM 930 C VAL A 63 4.020 9.177 -0.934 1.00 0.00 C ATOM 931 O VAL A 63 3.560 9.632 -1.981 1.00 0.00 O ATOM 932 CB VAL A 63 3.983 6.762 -0.278 1.00 0.00 C ATOM 933 CG1 VAL A 63 3.333 5.729 0.630 1.00 0.00 C ATOM 934 CG2 VAL A 63 3.995 6.284 -1.721 1.00 0.00 C ATOM 0 H VAL A 63 1.752 7.816 -1.576 1.00 0.00 H new ATOM 0 HA VAL A 63 3.245 8.378 0.910 1.00 0.00 H new ATOM 0 HB VAL A 63 5.018 6.895 0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.853 4.776 0.528 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.392 6.066 1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.287 5.604 0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.510 5.325 -1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.970 6.169 -2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.514 7.014 -2.342 1.00 0.00 H new ATOM 944 N SER A 64 5.179 9.563 -0.433 1.00 0.00 N ATOM 945 CA SER A 64 5.942 10.640 -1.031 1.00 0.00 C ATOM 946 C SER A 64 7.285 10.128 -1.540 1.00 0.00 C ATOM 947 O SER A 64 8.195 9.835 -0.759 1.00 0.00 O ATOM 948 CB SER A 64 6.142 11.751 0.002 1.00 0.00 C ATOM 949 OG SER A 64 6.751 12.895 -0.564 1.00 0.00 O ATOM 0 H SER A 64 5.613 9.144 0.390 1.00 0.00 H new ATOM 0 HA SER A 64 5.393 11.039 -1.884 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.178 12.027 0.429 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.759 11.379 0.820 1.00 0.00 H new ATOM 0 HG SER A 64 7.520 13.161 -0.017 1.00 0.00 H new ATOM 955 N SER A 65 7.397 9.989 -2.851 1.00 0.00 N ATOM 956 CA SER A 65 8.658 9.623 -3.464 1.00 0.00 C ATOM 957 C SER A 65 9.539 10.863 -3.603 1.00 0.00 C ATOM 958 O SER A 65 9.731 11.389 -4.702 1.00 0.00 O ATOM 959 CB SER A 65 8.420 8.974 -4.829 1.00 0.00 C ATOM 960 OG SER A 65 7.531 7.873 -4.716 1.00 0.00 O ATOM 0 H SER A 65 6.629 10.125 -3.509 1.00 0.00 H new ATOM 0 HA SER A 65 9.167 8.897 -2.829 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.008 9.710 -5.520 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.369 8.639 -5.248 1.00 0.00 H new ATOM 0 HG SER A 65 7.391 7.474 -5.600 1.00 0.00 H new ATOM 966 N ARG A 66 10.039 11.347 -2.471 1.00 0.00 N ATOM 967 CA ARG A 66 10.852 12.548 -2.445 1.00 0.00 C ATOM 968 C ARG A 66 12.252 12.249 -2.958 1.00 0.00 C ATOM 969 O ARG A 66 13.105 11.781 -2.208 1.00 0.00 O ATOM 970 CB ARG A 66 10.916 13.106 -1.023 1.00 0.00 C ATOM 971 CG ARG A 66 11.420 14.532 -0.954 1.00 0.00 C ATOM 972 CD ARG A 66 10.408 15.502 -1.540 1.00 0.00 C ATOM 973 NE ARG A 66 9.172 15.536 -0.763 1.00 0.00 N ATOM 974 CZ ARG A 66 8.006 15.976 -1.233 1.00 0.00 C ATOM 975 NH1 ARG A 66 7.897 16.372 -2.492 1.00 0.00 N ATOM 976 NH2 ARG A 66 6.937 15.994 -0.445 1.00 0.00 N ATOM 0 H ARG A 66 9.892 10.920 -1.557 1.00 0.00 H new ATOM 0 HA ARG A 66 10.397 13.295 -3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.922 13.059 -0.578 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.565 12.470 -0.421 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.625 14.798 0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.362 14.614 -1.496 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.842 16.501 -1.576 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.183 15.215 -2.567 1.00 0.00 H new ATOM 0 HE ARG A 66 9.204 15.202 0.200 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.709 16.341 -3.108 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.001 16.708 -2.845 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.009 15.671 0.520 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.044 16.331 -0.805 1.00 0.00 H new ATOM 990 N GLY A 67 12.485 12.519 -4.237 1.00 0.00 N ATOM 991 CA GLY A 67 13.759 12.183 -4.849 1.00 0.00 C ATOM 992 C GLY A 67 14.856 13.179 -4.520 1.00 0.00 C ATOM 993 O GLY A 67 15.564 13.654 -5.406 1.00 0.00 O ATOM 0 H GLY A 67 11.814 12.965 -4.863 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.065 11.191 -4.517 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.634 12.133 -5.931 1.00 0.00 H new ATOM 997 N ALA A 68 14.993 13.479 -3.239 1.00 0.00 N ATOM 998 CA ALA A 68 15.999 14.409 -2.743 1.00 0.00 C ATOM 999 C ALA A 68 16.219 14.166 -1.255 1.00 0.00 C ATOM 1000 O ALA A 68 17.353 14.073 -0.784 1.00 0.00 O ATOM 1001 CB ALA A 68 15.578 15.852 -2.991 1.00 0.00 C ATOM 0 H ALA A 68 14.405 13.082 -2.506 1.00 0.00 H new ATOM 0 HA ALA A 68 16.932 14.239 -3.280 1.00 0.00 H new ATOM 0 HB1 ALA A 68 16.346 16.526 -2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.449 16.015 -4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.637 16.050 -2.478 1.00 0.00 H new ATOM 1007 N LEU A 69 15.118 14.062 -0.521 1.00 0.00 N ATOM 1008 CA LEU A 69 15.169 13.728 0.896 1.00 0.00 C ATOM 1009 C LEU A 69 15.152 12.210 1.052 1.00 0.00 C ATOM 1010 O LEU A 69 15.925 11.639 1.823 1.00 0.00 O ATOM 1011 CB LEU A 69 13.981 14.374 1.629 1.00 0.00 C ATOM 1012 CG LEU A 69 14.076 14.440 3.161 1.00 0.00 C ATOM 1013 CD1 LEU A 69 13.077 15.452 3.701 1.00 0.00 C ATOM 1014 CD2 LEU A 69 13.815 13.079 3.794 1.00 0.00 C ATOM 0 H LEU A 69 14.176 14.205 -0.886 1.00 0.00 H new ATOM 0 HA LEU A 69 16.087 14.115 1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.857 15.389 1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.078 13.824 1.366 1.00 0.00 H new ATOM 0 HG LEU A 69 15.089 14.748 3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.151 15.492 4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.295 16.436 3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.068 15.154 3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.890 13.162 4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.815 12.738 3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.553 12.362 3.433 1.00 0.00 H new ATOM 1026 N GLY A 70 14.272 11.569 0.299 1.00 0.00 N ATOM 1027 CA GLY A 70 14.176 10.128 0.315 1.00 0.00 C ATOM 1028 C GLY A 70 12.738 9.664 0.312 1.00 0.00 C ATOM 1029 O GLY A 70 11.821 10.482 0.252 1.00 0.00 O ATOM 0 H GLY A 70 13.615 12.030 -0.330 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.692 9.719 -0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.682 9.739 1.199 1.00 0.00 H new ATOM 1033 N THR A 71 12.531 8.362 0.375 1.00 0.00 N ATOM 1034 CA THR A 71 11.188 7.820 0.360 1.00 0.00 C ATOM 1035 C THR A 71 10.509 8.037 1.712 1.00 0.00 C ATOM 1036 O THR A 71 10.842 7.381 2.702 1.00 0.00 O ATOM 1037 CB THR A 71 11.184 6.319 -0.010 1.00 0.00 C ATOM 1038 OG1 THR A 71 12.175 5.608 0.746 1.00 0.00 O ATOM 1039 CG2 THR A 71 11.447 6.129 -1.497 1.00 0.00 C ATOM 0 H THR A 71 13.272 7.664 0.437 1.00 0.00 H new ATOM 0 HA THR A 71 10.626 8.352 -0.407 1.00 0.00 H new ATOM 0 HB THR A 71 10.198 5.920 0.230 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.143 5.897 1.682 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.440 5.065 -1.735 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.671 6.635 -2.071 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.419 6.551 -1.751 1.00 0.00 H new ATOM 1047 N VAL A 72 9.567 8.969 1.752 1.00 0.00 N ATOM 1048 CA VAL A 72 8.909 9.333 2.993 1.00 0.00 C ATOM 1049 C VAL A 72 7.407 9.152 2.860 1.00 0.00 C ATOM 1050 O VAL A 72 6.854 9.245 1.765 1.00 0.00 O ATOM 1051 CB VAL A 72 9.225 10.790 3.401 1.00 0.00 C ATOM 1052 CG1 VAL A 72 10.687 10.933 3.792 1.00 0.00 C ATOM 1053 CG2 VAL A 72 8.884 11.755 2.277 1.00 0.00 C ATOM 0 H VAL A 72 9.243 9.487 0.935 1.00 0.00 H new ATOM 0 HA VAL A 72 9.290 8.675 3.774 1.00 0.00 H new ATOM 0 HB VAL A 72 8.608 11.037 4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.888 11.966 4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.904 10.276 4.634 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.318 10.659 2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.115 12.773 2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.469 11.505 1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.822 11.680 2.043 1.00 0.00 H new ATOM 1063 N VAL A 73 6.750 8.859 3.960 1.00 0.00 N ATOM 1064 CA VAL A 73 5.321 8.663 3.940 1.00 0.00 C ATOM 1065 C VAL A 73 4.629 9.977 4.251 1.00 0.00 C ATOM 1066 O VAL A 73 4.654 10.438 5.388 1.00 0.00 O ATOM 1067 CB VAL A 73 4.865 7.596 4.958 1.00 0.00 C ATOM 1068 CG1 VAL A 73 3.407 7.255 4.743 1.00 0.00 C ATOM 1069 CG2 VAL A 73 5.716 6.338 4.868 1.00 0.00 C ATOM 0 H VAL A 73 7.183 8.752 4.877 1.00 0.00 H new ATOM 0 HA VAL A 73 5.050 8.311 2.945 1.00 0.00 H new ATOM 0 HB VAL A 73 4.992 8.015 5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.099 6.501 5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.801 8.152 4.872 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.269 6.866 3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.366 5.609 5.599 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.635 5.915 3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.757 6.587 5.074 1.00 0.00 H new ATOM 1079 N GLU A 74 4.064 10.606 3.237 1.00 0.00 N ATOM 1080 CA GLU A 74 3.312 11.832 3.440 1.00 0.00 C ATOM 1081 C GLU A 74 1.937 11.691 2.836 1.00 0.00 C ATOM 1082 O GLU A 74 1.798 11.197 1.716 1.00 0.00 O ATOM 1083 CB GLU A 74 4.003 13.046 2.810 1.00 0.00 C ATOM 1084 CG GLU A 74 5.453 13.222 3.225 1.00 0.00 C ATOM 1085 CD GLU A 74 6.038 14.521 2.716 1.00 0.00 C ATOM 1086 OE1 GLU A 74 5.697 15.583 3.276 1.00 0.00 O ATOM 1087 OE2 GLU A 74 6.836 14.488 1.755 1.00 0.00 O ATOM 0 H GLU A 74 4.111 10.291 2.268 1.00 0.00 H new ATOM 0 HA GLU A 74 3.247 11.996 4.516 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.956 12.954 1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.448 13.945 3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.524 13.195 4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.042 12.387 2.846 1.00 0.00 H new ATOM 1094 N LYS A 75 0.932 12.129 3.573 1.00 0.00 N ATOM 1095 CA LYS A 75 -0.432 12.105 3.082 1.00 0.00 C ATOM 1096 C LYS A 75 -0.565 13.083 1.915 1.00 0.00 C ATOM 1097 O LYS A 75 -0.767 14.281 2.104 1.00 0.00 O ATOM 1098 CB LYS A 75 -1.421 12.445 4.212 1.00 0.00 C ATOM 1099 CG LYS A 75 -1.173 13.803 4.853 1.00 0.00 C ATOM 1100 CD LYS A 75 -2.137 14.096 5.988 1.00 0.00 C ATOM 1101 CE LYS A 75 -2.092 15.568 6.379 1.00 0.00 C ATOM 1102 NZ LYS A 75 -0.700 16.065 6.551 1.00 0.00 N ATOM 0 H LYS A 75 1.036 12.506 4.515 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.674 11.102 2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.436 12.420 3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.361 11.674 4.980 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.151 13.842 5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.263 14.581 4.095 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.150 13.827 5.688 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.886 13.479 6.851 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.595 16.160 5.614 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.644 15.712 7.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.719 16.999 7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.165 15.399 7.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.242 16.145 5.620 1.00 0.00 H new ATOM 1116 N ASN A 76 -0.382 12.575 0.710 1.00 0.00 N ATOM 1117 CA ASN A 76 -0.442 13.411 -0.476 1.00 0.00 C ATOM 1118 C ASN A 76 -1.848 13.468 -1.030 1.00 0.00 C ATOM 1119 O ASN A 76 -2.374 12.471 -1.524 1.00 0.00 O ATOM 1120 CB ASN A 76 0.528 12.915 -1.553 1.00 0.00 C ATOM 1121 CG ASN A 76 1.932 13.456 -1.359 1.00 0.00 C ATOM 1122 OD1 ASN A 76 2.275 14.519 -1.877 1.00 0.00 O ATOM 1123 ND2 ASN A 76 2.752 12.740 -0.607 1.00 0.00 N ATOM 0 H ASN A 76 -0.191 11.590 0.526 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.144 14.417 -0.181 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.556 11.825 -1.539 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.159 13.212 -2.535 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.705 13.064 -0.440 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.432 11.864 -0.195 1.00 0.00 H new ATOM 1130 N PRO A 77 -2.490 14.636 -0.925 1.00 0.00 N ATOM 1131 CA PRO A 77 -3.774 14.870 -1.565 1.00 0.00 C ATOM 1132 C PRO A 77 -3.622 14.762 -3.073 1.00 0.00 C ATOM 1133 O PRO A 77 -2.912 15.556 -3.689 1.00 0.00 O ATOM 1134 CB PRO A 77 -4.129 16.306 -1.154 1.00 0.00 C ATOM 1135 CG PRO A 77 -2.828 16.925 -0.765 1.00 0.00 C ATOM 1136 CD PRO A 77 -2.010 15.810 -0.184 1.00 0.00 C ATOM 0 HA PRO A 77 -4.541 14.152 -1.275 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.595 16.849 -1.976 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.836 16.317 -0.324 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.331 17.368 -1.628 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.975 17.723 -0.038 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.942 15.972 -0.331 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.172 15.706 0.889 1.00 0.00 H new ATOM 1144 N ILE A 78 -4.270 13.779 -3.665 1.00 0.00 N ATOM 1145 CA ILE A 78 -4.073 13.504 -5.068 1.00 0.00 C ATOM 1146 C ILE A 78 -5.124 14.167 -5.924 1.00 0.00 C ATOM 1147 O ILE A 78 -6.315 13.879 -5.805 1.00 0.00 O ATOM 1148 CB ILE A 78 -3.998 11.991 -5.344 1.00 0.00 C ATOM 1149 CG1 ILE A 78 -2.674 11.460 -4.803 1.00 0.00 C ATOM 1150 CG2 ILE A 78 -4.133 11.689 -6.830 1.00 0.00 C ATOM 1151 CD1 ILE A 78 -1.480 12.257 -5.281 1.00 0.00 C ATOM 0 H ILE A 78 -4.934 13.162 -3.197 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.111 13.936 -5.345 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.828 11.495 -4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.701 11.474 -3.713 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.555 10.420 -5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.076 10.612 -6.989 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.093 12.059 -7.191 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.327 12.180 -7.376 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.568 11.832 -4.863 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.431 12.222 -6.369 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.580 13.292 -4.955 1.00 0.00 H new ATOM 1163 N VAL A 79 -4.632 15.077 -6.769 1.00 0.00 N ATOM 1164 CA VAL A 79 -5.450 15.901 -7.663 1.00 0.00 C ATOM 1165 C VAL A 79 -6.673 16.474 -6.942 1.00 0.00 C ATOM 1166 O VAL A 79 -7.714 16.740 -7.551 1.00 0.00 O ATOM 1167 CB VAL A 79 -5.870 15.139 -8.951 1.00 0.00 C ATOM 1168 CG1 VAL A 79 -4.648 14.563 -9.654 1.00 0.00 C ATOM 1169 CG2 VAL A 79 -6.895 14.044 -8.680 1.00 0.00 C ATOM 0 H VAL A 79 -3.633 15.265 -6.852 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.821 16.736 -7.974 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.350 15.867 -9.605 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.962 14.033 -10.553 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.970 15.372 -9.927 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.136 13.871 -8.985 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.151 13.546 -9.615 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.476 13.317 -7.985 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.792 14.485 -8.246 1.00 0.00 H new ATOM 1179 N ILE A 80 -6.507 16.720 -5.647 1.00 0.00 N ATOM 1180 CA ILE A 80 -7.600 17.161 -4.802 1.00 0.00 C ATOM 1181 C ILE A 80 -7.917 18.633 -5.040 1.00 0.00 C ATOM 1182 O ILE A 80 -7.066 19.500 -4.839 1.00 0.00 O ATOM 1183 CB ILE A 80 -7.287 16.944 -3.299 1.00 0.00 C ATOM 1184 CG1 ILE A 80 -7.190 15.449 -2.976 1.00 0.00 C ATOM 1185 CG2 ILE A 80 -8.343 17.608 -2.421 1.00 0.00 C ATOM 1186 CD1 ILE A 80 -8.471 14.681 -3.231 1.00 0.00 C ATOM 0 H ILE A 80 -5.616 16.619 -5.161 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.467 16.556 -5.069 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.324 17.408 -3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -6.390 15.010 -3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.909 15.331 -1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.101 17.441 -1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.363 18.679 -2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -9.321 17.179 -2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.322 13.631 -2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.271 15.092 -2.615 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.743 14.766 -4.283 1.00 0.00 H new ATOM 1198 N THR A 81 -9.134 18.901 -5.484 1.00 0.00 N ATOM 1199 CA THR A 81 -9.603 20.266 -5.646 1.00 0.00 C ATOM 1200 C THR A 81 -10.790 20.520 -4.716 1.00 0.00 C ATOM 1201 O THR A 81 -11.054 21.651 -4.304 1.00 0.00 O ATOM 1202 CB THR A 81 -10.000 20.543 -7.111 1.00 0.00 C ATOM 1203 OG1 THR A 81 -8.880 20.279 -7.971 1.00 0.00 O ATOM 1204 CG2 THR A 81 -10.450 21.983 -7.302 1.00 0.00 C ATOM 0 H THR A 81 -9.817 18.188 -5.739 1.00 0.00 H new ATOM 0 HA THR A 81 -8.791 20.945 -5.384 1.00 0.00 H new ATOM 0 HB THR A 81 -10.833 19.887 -7.364 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.134 20.454 -8.901 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.722 22.144 -8.345 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.313 22.182 -6.667 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.637 22.657 -7.031 1.00 0.00 H new ATOM 1212 N GLY A 82 -11.491 19.449 -4.379 1.00 0.00 N ATOM 1213 CA GLY A 82 -12.597 19.542 -3.454 1.00 0.00 C ATOM 1214 C GLY A 82 -12.261 18.914 -2.120 1.00 0.00 C ATOM 1215 O GLY A 82 -12.094 17.699 -2.026 1.00 0.00 O ATOM 0 H GLY A 82 -11.310 18.510 -4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.862 20.589 -3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.471 19.048 -3.880 1.00 0.00 H new ATOM 1219 N ALA A 83 -12.163 19.739 -1.088 1.00 0.00 N ATOM 1220 CA ALA A 83 -11.788 19.267 0.239 1.00 0.00 C ATOM 1221 C ALA A 83 -12.890 18.407 0.847 1.00 0.00 C ATOM 1222 O ALA A 83 -12.646 17.621 1.765 1.00 0.00 O ATOM 1223 CB ALA A 83 -11.466 20.444 1.147 1.00 0.00 C ATOM 0 H ALA A 83 -12.338 20.742 -1.143 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.896 18.648 0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.188 20.076 2.135 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.638 21.013 0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.342 21.087 1.233 1.00 0.00 H new ATOM 1229 N ASP A 84 -14.099 18.545 0.316 1.00 0.00 N ATOM 1230 CA ASP A 84 -15.237 17.763 0.784 1.00 0.00 C ATOM 1231 C ASP A 84 -15.193 16.368 0.185 1.00 0.00 C ATOM 1232 O ASP A 84 -15.813 15.437 0.699 1.00 0.00 O ATOM 1233 CB ASP A 84 -16.562 18.418 0.384 1.00 0.00 C ATOM 1234 CG ASP A 84 -16.722 19.828 0.905 1.00 0.00 C ATOM 1235 OD1 ASP A 84 -17.246 20.001 2.020 1.00 0.00 O ATOM 1236 OD2 ASP A 84 -16.345 20.775 0.182 1.00 0.00 O ATOM 0 H ASP A 84 -14.317 19.193 -0.441 1.00 0.00 H new ATOM 0 HA ASP A 84 -15.175 17.712 1.871 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -16.638 18.431 -0.703 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.386 17.807 0.754 1.00 0.00 H new ATOM 1241 N ARG A 85 -14.439 16.231 -0.899 1.00 0.00 N ATOM 1242 CA ARG A 85 -14.419 14.998 -1.673 1.00 0.00 C ATOM 1243 C ARG A 85 -13.367 14.039 -1.134 1.00 0.00 C ATOM 1244 O ARG A 85 -13.211 12.927 -1.635 1.00 0.00 O ATOM 1245 CB ARG A 85 -14.146 15.313 -3.147 1.00 0.00 C ATOM 1246 CG ARG A 85 -14.962 16.485 -3.674 1.00 0.00 C ATOM 1247 CD ARG A 85 -16.454 16.260 -3.491 1.00 0.00 C ATOM 1248 NE ARG A 85 -17.209 17.513 -3.532 1.00 0.00 N ATOM 1249 CZ ARG A 85 -18.523 17.591 -3.327 1.00 0.00 C ATOM 1250 NH1 ARG A 85 -19.227 16.488 -3.108 1.00 0.00 N ATOM 1251 NH2 ARG A 85 -19.135 18.769 -3.350 1.00 0.00 N ATOM 0 H ARG A 85 -13.830 16.964 -1.263 1.00 0.00 H new ATOM 0 HA ARG A 85 -15.393 14.517 -1.586 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.086 15.531 -3.274 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.364 14.429 -3.747 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -14.665 17.397 -3.156 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.744 16.634 -4.731 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -16.818 15.592 -4.272 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -16.631 15.762 -2.538 1.00 0.00 H new ATOM 0 HE ARG A 85 -16.701 18.375 -3.729 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -18.762 15.580 -3.097 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -20.233 16.548 -2.951 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -18.599 19.619 -3.525 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -20.141 18.824 -3.193 1.00 0.00 H new ATOM 1265 N LEU A 86 -12.642 14.476 -0.109 1.00 0.00 N ATOM 1266 CA LEU A 86 -11.652 13.624 0.530 1.00 0.00 C ATOM 1267 C LEU A 86 -12.352 12.654 1.479 1.00 0.00 C ATOM 1268 O LEU A 86 -11.822 11.595 1.811 1.00 0.00 O ATOM 1269 CB LEU A 86 -10.610 14.468 1.274 1.00 0.00 C ATOM 1270 CG LEU A 86 -9.415 13.689 1.831 1.00 0.00 C ATOM 1271 CD1 LEU A 86 -8.681 12.961 0.712 1.00 0.00 C ATOM 1272 CD2 LEU A 86 -8.468 14.623 2.571 1.00 0.00 C ATOM 0 H LEU A 86 -12.722 15.410 0.293 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.126 13.051 -0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.238 15.237 0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.104 14.982 2.099 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.788 12.946 2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.835 12.413 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.361 12.263 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.321 13.686 -0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.625 14.053 2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.103 15.389 1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.997 15.098 3.397 1.00 0.00 H new ATOM 1284 N LYS A 87 -13.548 13.033 1.907 1.00 0.00 N ATOM 1285 CA LYS A 87 -14.420 12.137 2.648 1.00 0.00 C ATOM 1286 C LYS A 87 -15.684 11.870 1.833 1.00 0.00 C ATOM 1287 O LYS A 87 -15.823 12.357 0.711 1.00 0.00 O ATOM 1288 CB LYS A 87 -14.795 12.714 4.020 1.00 0.00 C ATOM 1289 CG LYS A 87 -13.670 12.681 5.047 1.00 0.00 C ATOM 1290 CD LYS A 87 -14.199 12.986 6.445 1.00 0.00 C ATOM 1291 CE LYS A 87 -13.110 12.902 7.507 1.00 0.00 C ATOM 1292 NZ LYS A 87 -12.132 14.016 7.406 1.00 0.00 N ATOM 0 H LYS A 87 -13.937 13.963 1.751 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.882 11.205 2.819 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.121 13.746 3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.646 12.158 4.414 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.195 11.700 5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.904 13.408 4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.637 13.984 6.455 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.997 12.285 6.690 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.569 12.914 8.496 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.585 11.952 7.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.412 13.914 8.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.673 13.991 6.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.626 14.923 7.525 1.00 0.00 H new ATOM 1306 N ARG A 88 -16.599 11.097 2.394 1.00 0.00 N ATOM 1307 CA ARG A 88 -17.849 10.779 1.714 1.00 0.00 C ATOM 1308 C ARG A 88 -18.887 11.879 1.936 1.00 0.00 C ATOM 1309 O ARG A 88 -18.625 12.861 2.639 1.00 0.00 O ATOM 1310 CB ARG A 88 -18.396 9.432 2.198 1.00 0.00 C ATOM 1311 CG ARG A 88 -18.625 9.357 3.700 1.00 0.00 C ATOM 1312 CD ARG A 88 -19.268 8.040 4.105 1.00 0.00 C ATOM 1313 NE ARG A 88 -18.411 6.888 3.826 1.00 0.00 N ATOM 1314 CZ ARG A 88 -18.871 5.651 3.632 1.00 0.00 C ATOM 1315 NH1 ARG A 88 -20.179 5.407 3.645 1.00 0.00 N ATOM 1316 NH2 ARG A 88 -18.025 4.655 3.418 1.00 0.00 N ATOM 0 H ARG A 88 -16.502 10.677 3.318 1.00 0.00 H new ATOM 0 HA ARG A 88 -17.643 10.711 0.646 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -19.338 9.230 1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -17.701 8.644 1.908 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -17.674 9.473 4.220 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -19.262 10.184 4.013 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -19.501 8.066 5.169 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -20.213 7.923 3.574 1.00 0.00 H new ATOM 0 HE ARG A 88 -17.403 7.039 3.777 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -20.838 6.169 3.804 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -20.522 4.458 3.496 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.021 4.833 3.401 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -18.377 3.709 3.270 1.00 0.00 H new ATOM 1330 N MET A 89 -20.062 11.710 1.335 1.00 0.00 N ATOM 1331 CA MET A 89 -21.156 12.660 1.507 1.00 0.00 C ATOM 1332 C MET A 89 -21.684 12.581 2.933 1.00 0.00 C ATOM 1333 O MET A 89 -22.041 13.597 3.533 1.00 0.00 O ATOM 1334 CB MET A 89 -22.281 12.389 0.503 1.00 0.00 C ATOM 1335 CG MET A 89 -23.481 13.307 0.676 1.00 0.00 C ATOM 1336 SD MET A 89 -23.049 15.052 0.521 1.00 0.00 S ATOM 1337 CE MET A 89 -24.621 15.825 0.902 1.00 0.00 C ATOM 0 H MET A 89 -20.280 10.923 0.724 1.00 0.00 H new ATOM 0 HA MET A 89 -20.778 13.665 1.320 1.00 0.00 H new ATOM 0 HB2 MET A 89 -21.890 12.502 -0.508 1.00 0.00 H new ATOM 0 HB3 MET A 89 -22.607 11.354 0.605 1.00 0.00 H new ATOM 0 HG2 MET A 89 -24.236 13.056 -0.069 1.00 0.00 H new ATOM 0 HG3 MET A 89 -23.929 13.133 1.654 1.00 0.00 H new ATOM 0 HE1 MET A 89 -24.516 16.909 0.847 1.00 0.00 H new ATOM 0 HE2 MET A 89 -25.372 15.496 0.183 1.00 0.00 H new ATOM 0 HE3 MET A 89 -24.932 15.541 1.907 1.00 0.00 H new ATOM 1347 N GLU A 90 -21.731 11.363 3.467 1.00 0.00 N ATOM 1348 CA GLU A 90 -22.012 11.150 4.882 1.00 0.00 C ATOM 1349 C GLU A 90 -20.800 11.608 5.687 1.00 0.00 C ATOM 1350 O GLU A 90 -20.017 10.802 6.189 1.00 0.00 O ATOM 1351 CB GLU A 90 -22.294 9.672 5.147 1.00 0.00 C ATOM 1352 CG GLU A 90 -23.320 9.073 4.201 1.00 0.00 C ATOM 1353 CD GLU A 90 -23.299 7.561 4.204 1.00 0.00 C ATOM 1354 OE1 GLU A 90 -22.309 6.977 3.719 1.00 0.00 O ATOM 1355 OE2 GLU A 90 -24.275 6.949 4.682 1.00 0.00 O ATOM 0 H GLU A 90 -21.577 10.505 2.937 1.00 0.00 H new ATOM 0 HA GLU A 90 -22.892 11.721 5.177 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -21.363 9.112 5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -22.645 9.555 6.172 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -24.314 9.420 4.482 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -23.131 9.434 3.190 1.00 0.00 H new ATOM 1362 N LYS A 91 -20.636 12.913 5.764 1.00 0.00 N ATOM 1363 CA LYS A 91 -19.414 13.510 6.261 1.00 0.00 C ATOM 1364 C LYS A 91 -19.477 13.751 7.761 1.00 0.00 C ATOM 1365 O LYS A 91 -20.462 14.275 8.282 1.00 0.00 O ATOM 1366 CB LYS A 91 -19.147 14.817 5.511 1.00 0.00 C ATOM 1367 CG LYS A 91 -17.829 15.477 5.872 1.00 0.00 C ATOM 1368 CD LYS A 91 -17.535 16.683 4.990 1.00 0.00 C ATOM 1369 CE LYS A 91 -17.068 16.278 3.593 1.00 0.00 C ATOM 1370 NZ LYS A 91 -18.172 15.773 2.732 1.00 0.00 N ATOM 0 H LYS A 91 -21.346 13.589 5.484 1.00 0.00 H new ATOM 0 HA LYS A 91 -18.592 12.816 6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -19.161 14.618 4.439 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -19.959 15.514 5.716 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -17.854 15.789 6.916 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -17.021 14.751 5.775 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -18.432 17.297 4.907 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -16.769 17.298 5.463 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -16.602 17.136 3.109 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -16.303 15.507 3.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -18.005 16.063 1.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -18.208 14.735 2.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -19.076 16.168 3.060 1.00 0.00 H new ATOM 1384 N ASN A 92 -18.425 13.338 8.448 1.00 0.00 N ATOM 1385 CA ASN A 92 -18.293 13.577 9.878 1.00 0.00 C ATOM 1386 C ASN A 92 -17.375 14.769 10.110 1.00 0.00 C ATOM 1387 O ASN A 92 -16.341 14.898 9.448 1.00 0.00 O ATOM 1388 CB ASN A 92 -17.725 12.343 10.595 1.00 0.00 C ATOM 1389 CG ASN A 92 -18.707 11.183 10.707 1.00 0.00 C ATOM 1390 OD1 ASN A 92 -18.663 10.416 11.667 1.00 0.00 O ATOM 1391 ND2 ASN A 92 -19.595 11.040 9.732 1.00 0.00 N ATOM 0 H ASN A 92 -17.642 12.831 8.035 1.00 0.00 H new ATOM 0 HA ASN A 92 -19.283 13.784 10.285 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.837 12.003 10.062 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.405 12.633 11.596 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -20.269 10.275 9.764 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -19.604 11.695 8.950 1.00 0.00 H new ATOM 1398 N GLY A 93 -17.764 15.650 11.022 1.00 0.00 N ATOM 1399 CA GLY A 93 -16.935 16.792 11.357 1.00 0.00 C ATOM 1400 C GLY A 93 -15.739 16.392 12.196 1.00 0.00 C ATOM 1401 O GLY A 93 -14.700 17.057 12.176 1.00 0.00 O ATOM 0 H GLY A 93 -18.642 15.594 11.538 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -16.592 17.273 10.441 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -17.530 17.527 11.899 1.00 0.00 H new ATOM 1405 N MET A 94 -15.899 15.308 12.942 1.00 0.00 N ATOM 1406 CA MET A 94 -14.824 14.753 13.749 1.00 0.00 C ATOM 1407 C MET A 94 -14.092 13.664 12.967 1.00 0.00 C ATOM 1408 O MET A 94 -14.378 13.447 11.788 1.00 0.00 O ATOM 1409 CB MET A 94 -15.374 14.194 15.070 1.00 0.00 C ATOM 1410 CG MET A 94 -16.444 13.120 14.911 1.00 0.00 C ATOM 1411 SD MET A 94 -18.029 13.777 14.346 1.00 0.00 S ATOM 1412 CE MET A 94 -19.040 12.298 14.388 1.00 0.00 C ATOM 0 H MET A 94 -16.776 14.790 13.004 1.00 0.00 H new ATOM 0 HA MET A 94 -14.117 15.548 13.986 1.00 0.00 H new ATOM 0 HB2 MET A 94 -14.546 13.781 15.646 1.00 0.00 H new ATOM 0 HB3 MET A 94 -15.788 15.017 15.652 1.00 0.00 H new ATOM 0 HG2 MET A 94 -16.095 12.370 14.201 1.00 0.00 H new ATOM 0 HG3 MET A 94 -16.587 12.614 15.866 1.00 0.00 H new ATOM 0 HE1 MET A 94 -19.923 12.443 13.766 1.00 0.00 H new ATOM 0 HE2 MET A 94 -18.465 11.453 14.009 1.00 0.00 H new ATOM 0 HE3 MET A 94 -19.348 12.097 15.414 1.00 0.00 H new ATOM 1422 N ARG A 95 -13.149 12.988 13.616 1.00 0.00 N ATOM 1423 CA ARG A 95 -12.343 11.975 12.944 1.00 0.00 C ATOM 1424 C ARG A 95 -13.205 10.798 12.484 1.00 0.00 C ATOM 1425 O ARG A 95 -14.162 10.404 13.158 1.00 0.00 O ATOM 1426 CB ARG A 95 -11.213 11.483 13.858 1.00 0.00 C ATOM 1427 CG ARG A 95 -11.679 10.653 15.047 1.00 0.00 C ATOM 1428 CD ARG A 95 -10.507 10.233 15.921 1.00 0.00 C ATOM 1429 NE ARG A 95 -10.905 9.308 16.984 1.00 0.00 N ATOM 1430 CZ ARG A 95 -10.282 9.211 18.161 1.00 0.00 C ATOM 1431 NH1 ARG A 95 -9.279 10.030 18.460 1.00 0.00 N ATOM 1432 NH2 ARG A 95 -10.670 8.301 19.046 1.00 0.00 N ATOM 0 H ARG A 95 -12.925 13.122 14.602 1.00 0.00 H new ATOM 0 HA ARG A 95 -11.900 12.437 12.062 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.517 10.888 13.266 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.660 12.346 14.228 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -12.389 11.230 15.640 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -12.206 9.768 14.691 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.745 9.762 15.300 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.053 11.119 16.365 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.707 8.701 16.815 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.981 10.738 17.789 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -8.807 9.951 19.361 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.445 7.675 18.827 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -10.193 8.228 19.945 1.00 0.00 H new ATOM 1446 N TYR A 96 -12.865 10.254 11.327 1.00 0.00 N ATOM 1447 CA TYR A 96 -13.571 9.113 10.778 1.00 0.00 C ATOM 1448 C TYR A 96 -12.821 7.841 11.136 1.00 0.00 C ATOM 1449 O TYR A 96 -11.602 7.779 10.980 1.00 0.00 O ATOM 1450 CB TYR A 96 -13.693 9.257 9.256 1.00 0.00 C ATOM 1451 CG TYR A 96 -14.399 8.103 8.572 1.00 0.00 C ATOM 1452 CD1 TYR A 96 -15.785 8.065 8.482 1.00 0.00 C ATOM 1453 CD2 TYR A 96 -13.676 7.057 8.008 1.00 0.00 C ATOM 1454 CE1 TYR A 96 -16.429 7.017 7.851 1.00 0.00 C ATOM 1455 CE2 TYR A 96 -14.314 6.009 7.375 1.00 0.00 C ATOM 1456 CZ TYR A 96 -15.690 5.992 7.300 1.00 0.00 C ATOM 1457 OH TYR A 96 -16.327 4.950 6.666 1.00 0.00 O ATOM 0 H TYR A 96 -12.096 10.590 10.747 1.00 0.00 H new ATOM 0 HA TYR A 96 -14.575 9.064 11.199 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -14.230 10.179 9.032 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -12.694 9.359 8.832 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -16.368 8.866 8.911 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.598 7.065 8.066 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -17.507 7.001 7.790 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -13.737 5.206 6.940 1.00 0.00 H new ATOM 0 HH TYR A 96 -15.661 4.313 6.333 1.00 0.00 H new ATOM 1467 N ALA A 97 -13.546 6.843 11.628 1.00 0.00 N ATOM 1468 CA ALA A 97 -12.941 5.574 12.011 1.00 0.00 C ATOM 1469 C ALA A 97 -12.552 4.769 10.779 1.00 0.00 C ATOM 1470 O ALA A 97 -13.415 4.252 10.071 1.00 0.00 O ATOM 1471 CB ALA A 97 -13.894 4.775 12.883 1.00 0.00 C ATOM 0 H ALA A 97 -14.555 6.889 11.771 1.00 0.00 H new ATOM 0 HA ALA A 97 -12.037 5.785 12.583 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -13.427 3.830 13.161 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -14.126 5.343 13.784 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -14.813 4.578 12.331 1.00 0.00 H new ATOM 1477 N PRO A 98 -11.245 4.651 10.510 1.00 0.00 N ATOM 1478 CA PRO A 98 -10.740 3.986 9.316 1.00 0.00 C ATOM 1479 C PRO A 98 -10.511 2.491 9.532 1.00 0.00 C ATOM 1480 O PRO A 98 -10.125 1.766 8.613 1.00 0.00 O ATOM 1481 CB PRO A 98 -9.424 4.720 9.087 1.00 0.00 C ATOM 1482 CG PRO A 98 -8.924 5.037 10.459 1.00 0.00 C ATOM 1483 CD PRO A 98 -10.142 5.165 11.345 1.00 0.00 C ATOM 0 HA PRO A 98 -11.432 4.028 8.475 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -8.714 4.099 8.540 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -9.573 5.626 8.500 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -8.262 4.250 10.821 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -8.348 5.962 10.457 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -10.032 4.586 12.262 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -10.314 6.200 11.641 1.00 0.00 H new ATOM 1491 N GLY A 99 -10.756 2.038 10.749 1.00 0.00 N ATOM 1492 CA GLY A 99 -10.561 0.641 11.076 1.00 0.00 C ATOM 1493 C GLY A 99 -11.540 0.161 12.125 1.00 0.00 C ATOM 1494 O GLY A 99 -11.157 -0.514 13.081 1.00 0.00 O ATOM 0 H GLY A 99 -11.088 2.615 11.522 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -10.672 0.039 10.174 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -9.543 0.492 11.435 1.00 0.00 H new ATOM 1498 N GLU A 100 -12.802 0.515 11.957 1.00 0.00 N ATOM 1499 CA GLU A 100 -13.835 0.098 12.889 1.00 0.00 C ATOM 1500 C GLU A 100 -14.577 -1.105 12.326 1.00 0.00 C ATOM 1501 O GLU A 100 -15.134 -0.992 11.215 1.00 0.00 O ATOM 1502 CB GLU A 100 -14.804 1.248 13.178 1.00 0.00 C ATOM 1503 CG GLU A 100 -15.832 0.927 14.254 1.00 0.00 C ATOM 1504 CD GLU A 100 -16.548 2.161 14.765 1.00 0.00 C ATOM 1505 OE1 GLU A 100 -16.053 2.779 15.732 1.00 0.00 O ATOM 1506 OE2 GLU A 100 -17.605 2.522 14.208 1.00 0.00 O ATOM 1507 OXT GLU A 100 -14.567 -2.168 12.979 1.00 0.00 O ATOM 0 H GLU A 100 -13.136 1.090 11.184 1.00 0.00 H new ATOM 0 HA GLU A 100 -13.366 -0.185 13.831 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -14.233 2.124 13.484 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -15.325 1.512 12.258 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -16.565 0.227 13.853 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -15.337 0.428 15.087 1.00 0.00 H new TER 1514 GLU A 100