USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 856 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 11 CYS SG : rot -135:sc= 1.38 USER MOD Set 1.2: A 13 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0553) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 33:sc= -0.139 USER MOD Single : A 17 HIS : no HD1:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 18 THR OG1 : rot -142:sc= -2.4! USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -160:sc= -0.16 (180deg=-0.721) USER MOD Single : A 23 GLN : amide:sc= 0.212 X(o=0.21,f=-0.0071) USER MOD Single : A 26 LYS NZ :NH3+ -173:sc=-0.00372 (180deg=-0.0666) USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0714) USER MOD Single : A 30 LYS NZ :NH3+ -170:sc=-0.00308 (180deg=-0.102) USER MOD Single : A 31 LYS NZ :NH3+ 138:sc= 0.962 (180deg=-0.331!) USER MOD Single : A 32 MET CE :methyl -139:sc= -0.839 (180deg=-2.39!) USER MOD Single : A 34 ASN : amide:sc= -1.62 K(o=-1.6,f=-3.1!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0.824 (180deg=0.824) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -4.06! C(o=-4.1!,f=-5.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.373 K(o=0.37,f=-0.96) USER MOD Single : A 51 THR OG1 : rot -67:sc= 1.09 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 67 THR OG1 : rot 140:sc= -0.396 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.245! K(o=-0.24!,f=-1.4) USER MOD Single : A 72 LYS NZ :NH3+ 173:sc= -0.325 (180deg=-0.363) USER MOD Single : A 78 LYS NZ :NH3+ 155:sc= 1.16 (180deg=0.717) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -165:sc= 1.32 (180deg=1.1) USER MOD Single : A 97 ASN : amide:sc= 1.16 K(o=1.2,f=-0.0054) USER MOD Single : A 106 LYS NZ :NH3+ -139:sc= 0.111 (180deg=-0.727) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.311 -1.766 -4.481 1.00 0.00 N ATOM 2 CA MET A 1 -15.527 -2.013 -5.712 1.00 0.00 C ATOM 3 C MET A 1 -14.444 -0.957 -5.901 1.00 0.00 C ATOM 4 O MET A 1 -13.326 -1.106 -5.410 1.00 0.00 O ATOM 5 CB MET A 1 -16.436 -2.053 -6.946 1.00 0.00 C ATOM 6 CG MET A 1 -17.179 -3.366 -7.127 1.00 0.00 C ATOM 7 SD MET A 1 -16.084 -4.724 -7.585 1.00 0.00 S ATOM 8 CE MET A 1 -17.247 -6.082 -7.675 1.00 0.00 C ATOM 0 H1 MET A 1 -17.040 -2.501 -4.380 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.678 -1.790 -3.656 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.766 -0.833 -4.541 1.00 0.00 H new ATOM 0 HA MET A 1 -15.047 -2.985 -5.599 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.163 -1.244 -6.875 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.833 -1.864 -7.834 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.696 -3.617 -6.201 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.942 -3.244 -7.895 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.719 -6.995 -7.949 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.725 -6.216 -6.705 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.006 -5.862 -8.426 1.00 0.00 H new ATOM 20 N LYS A 2 -14.798 0.132 -6.572 1.00 0.00 N ATOM 21 CA LYS A 2 -13.810 1.098 -7.037 1.00 0.00 C ATOM 22 C LYS A 2 -13.449 2.130 -5.976 1.00 0.00 C ATOM 23 O LYS A 2 -14.298 2.892 -5.504 1.00 0.00 O ATOM 24 CB LYS A 2 -14.313 1.807 -8.296 1.00 0.00 C ATOM 25 CG LYS A 2 -14.502 0.880 -9.489 1.00 0.00 C ATOM 26 CD LYS A 2 -14.923 1.647 -10.732 1.00 0.00 C ATOM 27 CE LYS A 2 -16.290 2.291 -10.559 1.00 0.00 C ATOM 28 NZ LYS A 2 -17.383 1.281 -10.508 1.00 0.00 N ATOM 0 H LYS A 2 -15.762 0.369 -6.807 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.904 0.535 -7.264 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -15.262 2.295 -8.073 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.607 2.592 -8.566 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.572 0.347 -9.687 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.256 0.129 -9.251 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.183 2.417 -10.953 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.945 0.971 -11.587 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.299 2.881 -9.642 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.472 2.980 -11.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.304 1.764 -10.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.299 0.637 -11.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -17.311 0.736 -9.625 1.00 0.00 H new ATOM 42 N ARG A 3 -12.176 2.135 -5.612 1.00 0.00 N ATOM 43 CA ARG A 3 -11.613 3.144 -4.736 1.00 0.00 C ATOM 44 C ARG A 3 -10.132 3.310 -5.065 1.00 0.00 C ATOM 45 O ARG A 3 -9.483 2.357 -5.497 1.00 0.00 O ATOM 46 CB ARG A 3 -11.784 2.729 -3.275 1.00 0.00 C ATOM 47 CG ARG A 3 -11.721 3.891 -2.293 1.00 0.00 C ATOM 48 CD ARG A 3 -12.926 4.810 -2.440 1.00 0.00 C ATOM 49 NE ARG A 3 -12.838 5.985 -1.573 1.00 0.00 N ATOM 50 CZ ARG A 3 -13.816 6.393 -0.766 1.00 0.00 C ATOM 51 NH1 ARG A 3 -14.958 5.715 -0.708 1.00 0.00 N ATOM 52 NH2 ARG A 3 -13.658 7.488 -0.029 1.00 0.00 N ATOM 0 H ARG A 3 -11.502 1.434 -5.919 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.132 4.091 -4.886 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.742 2.221 -3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -11.008 2.007 -3.019 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -11.678 3.506 -1.274 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.806 4.460 -2.458 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.009 5.133 -3.478 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.834 4.255 -2.205 1.00 0.00 H new ATOM 0 HE ARG A 3 -11.973 6.526 -1.587 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.086 4.881 -1.282 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.706 6.028 -0.090 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -12.787 8.017 -0.081 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.408 7.800 0.589 1.00 0.00 H new ATOM 66 N LYS A 4 -9.610 4.515 -4.899 1.00 0.00 N ATOM 67 CA LYS A 4 -8.195 4.773 -5.139 1.00 0.00 C ATOM 68 C LYS A 4 -7.383 4.413 -3.902 1.00 0.00 C ATOM 69 O LYS A 4 -7.663 4.902 -2.807 1.00 0.00 O ATOM 70 CB LYS A 4 -7.973 6.242 -5.495 1.00 0.00 C ATOM 71 CG LYS A 4 -8.829 6.745 -6.649 1.00 0.00 C ATOM 72 CD LYS A 4 -8.598 5.953 -7.926 1.00 0.00 C ATOM 73 CE LYS A 4 -9.305 6.603 -9.104 1.00 0.00 C ATOM 74 NZ LYS A 4 -9.159 5.815 -10.356 1.00 0.00 N ATOM 0 H LYS A 4 -10.143 5.331 -4.599 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.867 4.156 -5.976 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.177 6.852 -4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.923 6.388 -5.747 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.881 6.684 -6.371 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.608 7.797 -6.831 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.529 5.888 -8.130 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.961 4.933 -7.797 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.364 6.717 -8.871 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.903 7.604 -9.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.658 6.298 -11.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.151 5.727 -10.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.566 4.868 -10.220 1.00 0.00 H new ATOM 88 N ILE A 5 -6.393 3.548 -4.067 1.00 0.00 N ATOM 89 CA ILE A 5 -5.560 3.127 -2.951 1.00 0.00 C ATOM 90 C ILE A 5 -4.081 3.199 -3.319 1.00 0.00 C ATOM 91 O ILE A 5 -3.670 2.728 -4.378 1.00 0.00 O ATOM 92 CB ILE A 5 -5.903 1.684 -2.502 1.00 0.00 C ATOM 93 CG1 ILE A 5 -7.383 1.579 -2.118 1.00 0.00 C ATOM 94 CG2 ILE A 5 -5.019 1.261 -1.333 1.00 0.00 C ATOM 95 CD1 ILE A 5 -7.821 0.181 -1.737 1.00 0.00 C ATOM 0 H ILE A 5 -6.147 3.125 -4.962 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.761 3.810 -2.126 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.713 1.011 -3.338 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.580 2.251 -1.283 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.991 1.924 -2.955 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.275 0.245 -1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.973 1.297 -1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.177 1.938 -0.494 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.880 0.189 -1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.658 -0.493 -2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.241 -0.161 -0.880 1.00 0.00 H new ATOM 107 N ILE A 6 -3.285 3.803 -2.453 1.00 0.00 N ATOM 108 CA ILE A 6 -1.843 3.813 -2.636 1.00 0.00 C ATOM 109 C ILE A 6 -1.194 2.979 -1.543 1.00 0.00 C ATOM 110 O ILE A 6 -1.587 3.053 -0.378 1.00 0.00 O ATOM 111 CB ILE A 6 -1.224 5.237 -2.654 1.00 0.00 C ATOM 112 CG1 ILE A 6 -1.507 6.015 -1.356 1.00 0.00 C ATOM 113 CG2 ILE A 6 -1.719 6.013 -3.865 1.00 0.00 C ATOM 114 CD1 ILE A 6 -2.912 6.571 -1.239 1.00 0.00 C ATOM 0 H ILE A 6 -3.611 4.291 -1.619 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.646 3.386 -3.620 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.143 5.120 -2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.320 5.357 -0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.798 6.840 -1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.277 7.009 -3.864 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.431 5.489 -4.776 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.805 6.098 -3.824 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.016 7.102 -0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.101 7.259 -2.063 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.631 5.753 -1.277 1.00 0.00 H new ATOM 126 N ALA A 7 -0.226 2.166 -1.918 1.00 0.00 N ATOM 127 CA ALA A 7 0.393 1.258 -0.970 1.00 0.00 C ATOM 128 C ALA A 7 1.894 1.193 -1.174 1.00 0.00 C ATOM 129 O ALA A 7 2.376 1.153 -2.304 1.00 0.00 O ATOM 130 CB ALA A 7 -0.219 -0.130 -1.097 1.00 0.00 C ATOM 0 H ALA A 7 0.148 2.115 -2.866 1.00 0.00 H new ATOM 0 HA ALA A 7 0.207 1.637 0.035 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.253 -0.803 -0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.288 -0.076 -0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.060 -0.506 -2.108 1.00 0.00 H new ATOM 136 N VAL A 8 2.630 1.193 -0.081 1.00 0.00 N ATOM 137 CA VAL A 8 4.071 1.065 -0.142 1.00 0.00 C ATOM 138 C VAL A 8 4.498 -0.272 0.442 1.00 0.00 C ATOM 139 O VAL A 8 4.301 -0.538 1.629 1.00 0.00 O ATOM 140 CB VAL A 8 4.788 2.208 0.605 1.00 0.00 C ATOM 141 CG1 VAL A 8 6.298 2.026 0.544 1.00 0.00 C ATOM 142 CG2 VAL A 8 4.389 3.557 0.026 1.00 0.00 C ATOM 0 H VAL A 8 2.252 1.280 0.862 1.00 0.00 H new ATOM 0 HA VAL A 8 4.359 1.123 -1.192 1.00 0.00 H new ATOM 0 HB VAL A 8 4.482 2.178 1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.785 2.843 1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.569 1.078 1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.623 2.027 -0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.905 4.351 0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.664 3.596 -1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.312 3.691 0.125 1.00 0.00 H new ATOM 152 N THR A 9 5.045 -1.118 -0.409 1.00 0.00 N ATOM 153 CA THR A 9 5.548 -2.410 0.007 1.00 0.00 C ATOM 154 C THR A 9 7.066 -2.360 0.113 1.00 0.00 C ATOM 155 O THR A 9 7.762 -2.192 -0.890 1.00 0.00 O ATOM 156 CB THR A 9 5.118 -3.514 -0.979 1.00 0.00 C ATOM 157 OG1 THR A 9 5.344 -3.081 -2.330 1.00 0.00 O ATOM 158 CG2 THR A 9 3.648 -3.861 -0.791 1.00 0.00 C ATOM 0 H THR A 9 5.153 -0.929 -1.405 1.00 0.00 H new ATOM 0 HA THR A 9 5.126 -2.648 0.983 1.00 0.00 H new ATOM 0 HB THR A 9 5.715 -4.404 -0.779 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.136 -2.504 -2.361 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.365 -4.642 -1.497 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.485 -4.215 0.227 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.039 -2.974 -0.968 1.00 0.00 H new ATOM 166 N ALA A 10 7.575 -2.471 1.330 1.00 0.00 N ATOM 167 CA ALA A 10 9.001 -2.330 1.558 1.00 0.00 C ATOM 168 C ALA A 10 9.561 -3.490 2.362 1.00 0.00 C ATOM 169 O ALA A 10 8.892 -4.024 3.240 1.00 0.00 O ATOM 170 CB ALA A 10 9.286 -1.020 2.269 1.00 0.00 C ATOM 0 H ALA A 10 7.025 -2.657 2.169 1.00 0.00 H new ATOM 0 HA ALA A 10 9.494 -2.332 0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.359 -0.923 2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.937 -0.189 1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.767 -1.006 3.227 1.00 0.00 H new ATOM 176 N CYS A 11 10.791 -3.870 2.054 1.00 0.00 N ATOM 177 CA CYS A 11 11.499 -4.889 2.811 1.00 0.00 C ATOM 178 C CYS A 11 12.988 -4.792 2.519 1.00 0.00 C ATOM 179 O CYS A 11 13.393 -4.688 1.360 1.00 0.00 O ATOM 180 CB CYS A 11 10.974 -6.287 2.467 1.00 0.00 C ATOM 181 SG CYS A 11 11.666 -7.606 3.491 1.00 0.00 S ATOM 0 H CYS A 11 11.324 -3.482 1.276 1.00 0.00 H new ATOM 0 HA CYS A 11 11.329 -4.722 3.875 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.889 -6.292 2.571 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.195 -6.499 1.421 1.00 0.00 H new ATOM 0 HG CYS A 11 12.001 -8.610 2.737 1.00 0.00 H new ATOM 187 N ALA A 12 13.797 -4.796 3.570 1.00 0.00 N ATOM 188 CA ALA A 12 15.242 -4.676 3.418 1.00 0.00 C ATOM 189 C ALA A 12 15.944 -5.965 3.814 1.00 0.00 C ATOM 190 O ALA A 12 17.113 -6.177 3.485 1.00 0.00 O ATOM 191 CB ALA A 12 15.768 -3.515 4.245 1.00 0.00 C ATOM 0 H ALA A 12 13.479 -4.881 4.535 1.00 0.00 H new ATOM 0 HA ALA A 12 15.454 -4.484 2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 12 16.848 -3.439 4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 12 15.299 -2.589 3.912 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.535 -3.682 5.297 1.00 0.00 H new ATOM 197 N THR A 13 15.235 -6.820 4.531 1.00 0.00 N ATOM 198 CA THR A 13 15.788 -8.089 4.967 1.00 0.00 C ATOM 199 C THR A 13 15.597 -9.165 3.900 1.00 0.00 C ATOM 200 O THR A 13 16.549 -9.835 3.496 1.00 0.00 O ATOM 201 CB THR A 13 15.139 -8.541 6.286 1.00 0.00 C ATOM 202 OG1 THR A 13 13.712 -8.440 6.183 1.00 0.00 O ATOM 203 CG2 THR A 13 15.628 -7.695 7.451 1.00 0.00 C ATOM 0 H THR A 13 14.272 -6.657 4.824 1.00 0.00 H new ATOM 0 HA THR A 13 16.856 -7.946 5.130 1.00 0.00 H new ATOM 0 HB THR A 13 15.422 -9.577 6.470 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.302 -8.730 7.025 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.154 -8.035 8.372 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.710 -7.792 7.542 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.371 -6.650 7.275 1.00 0.00 H new ATOM 211 N GLY A 14 14.362 -9.315 3.445 1.00 0.00 N ATOM 212 CA GLY A 14 14.059 -10.270 2.399 1.00 0.00 C ATOM 213 C GLY A 14 13.633 -9.576 1.126 1.00 0.00 C ATOM 214 O GLY A 14 12.465 -9.230 0.967 1.00 0.00 O ATOM 0 H GLY A 14 13.558 -8.787 3.785 1.00 0.00 H new ATOM 0 HA2 GLY A 14 14.936 -10.888 2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.266 -10.939 2.733 1.00 0.00 H new ATOM 218 N VAL A 15 14.580 -9.384 0.217 1.00 0.00 N ATOM 219 CA VAL A 15 14.343 -8.629 -1.010 1.00 0.00 C ATOM 220 C VAL A 15 13.181 -9.212 -1.819 1.00 0.00 C ATOM 221 O VAL A 15 12.344 -8.472 -2.341 1.00 0.00 O ATOM 222 CB VAL A 15 15.612 -8.588 -1.890 1.00 0.00 C ATOM 223 CG1 VAL A 15 15.409 -7.681 -3.091 1.00 0.00 C ATOM 224 CG2 VAL A 15 16.814 -8.136 -1.074 1.00 0.00 C ATOM 0 H VAL A 15 15.530 -9.744 0.307 1.00 0.00 H new ATOM 0 HA VAL A 15 14.081 -7.614 -0.710 1.00 0.00 H new ATOM 0 HB VAL A 15 15.804 -9.597 -2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 15 16.316 -7.669 -3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.578 -8.052 -3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 15 15.187 -6.670 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 15 17.698 -8.113 -1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 15 16.629 -7.139 -0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 15 16.977 -8.832 -0.251 1.00 0.00 H new ATOM 234 N ALA A 16 13.122 -10.539 -1.900 1.00 0.00 N ATOM 235 CA ALA A 16 12.055 -11.225 -2.624 1.00 0.00 C ATOM 236 C ALA A 16 10.681 -10.906 -2.033 1.00 0.00 C ATOM 237 O ALA A 16 9.672 -10.926 -2.738 1.00 0.00 O ATOM 238 CB ALA A 16 12.293 -12.729 -2.615 1.00 0.00 C ATOM 0 H ALA A 16 13.805 -11.164 -1.471 1.00 0.00 H new ATOM 0 HA ALA A 16 12.068 -10.866 -3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.490 -13.228 -3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.247 -12.949 -3.094 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.313 -13.088 -1.586 1.00 0.00 H new ATOM 244 N HIS A 17 10.649 -10.588 -0.741 1.00 0.00 N ATOM 245 CA HIS A 17 9.391 -10.287 -0.057 1.00 0.00 C ATOM 246 C HIS A 17 8.799 -8.992 -0.590 1.00 0.00 C ATOM 247 O HIS A 17 7.585 -8.867 -0.725 1.00 0.00 O ATOM 248 CB HIS A 17 9.591 -10.171 1.459 1.00 0.00 C ATOM 249 CG HIS A 17 10.000 -11.448 2.132 1.00 0.00 C ATOM 250 ND1 HIS A 17 10.235 -11.539 3.484 1.00 0.00 N ATOM 251 CD2 HIS A 17 10.214 -12.690 1.634 1.00 0.00 C ATOM 252 CE1 HIS A 17 10.576 -12.775 3.789 1.00 0.00 C ATOM 253 NE2 HIS A 17 10.571 -13.498 2.685 1.00 0.00 N ATOM 0 H HIS A 17 11.476 -10.532 -0.147 1.00 0.00 H new ATOM 0 HA HIS A 17 8.705 -11.111 -0.252 1.00 0.00 H new ATOM 0 HB2 HIS A 17 10.349 -9.413 1.656 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.663 -9.819 1.909 1.00 0.00 H new ATOM 0 HD2 HIS A 17 10.121 -12.989 0.600 1.00 0.00 H new ATOM 0 HE1 HIS A 17 10.819 -13.136 4.777 1.00 0.00 H new ATOM 0 HE2 HIS A 17 10.795 -14.491 2.623 1.00 0.00 H new ATOM 262 N THR A 18 9.672 -8.042 -0.904 1.00 0.00 N ATOM 263 CA THR A 18 9.254 -6.740 -1.400 1.00 0.00 C ATOM 264 C THR A 18 8.477 -6.877 -2.708 1.00 0.00 C ATOM 265 O THR A 18 7.406 -6.291 -2.874 1.00 0.00 O ATOM 266 CB THR A 18 10.476 -5.836 -1.625 1.00 0.00 C ATOM 267 OG1 THR A 18 11.392 -5.987 -0.533 1.00 0.00 O ATOM 268 CG2 THR A 18 10.061 -4.380 -1.736 1.00 0.00 C ATOM 0 H THR A 18 10.683 -8.153 -0.822 1.00 0.00 H new ATOM 0 HA THR A 18 8.603 -6.291 -0.650 1.00 0.00 H new ATOM 0 HB THR A 18 10.956 -6.132 -2.558 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.791 -5.118 -0.318 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.944 -3.761 -1.895 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.377 -4.260 -2.576 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.563 -4.072 -0.816 1.00 0.00 H new ATOM 276 N TYR A 19 9.013 -7.673 -3.627 1.00 0.00 N ATOM 277 CA TYR A 19 8.371 -7.883 -4.917 1.00 0.00 C ATOM 278 C TYR A 19 7.107 -8.716 -4.753 1.00 0.00 C ATOM 279 O TYR A 19 6.098 -8.482 -5.423 1.00 0.00 O ATOM 280 CB TYR A 19 9.317 -8.594 -5.885 1.00 0.00 C ATOM 281 CG TYR A 19 10.665 -7.931 -6.036 1.00 0.00 C ATOM 282 CD1 TYR A 19 10.803 -6.730 -6.721 1.00 0.00 C ATOM 283 CD2 TYR A 19 11.802 -8.514 -5.498 1.00 0.00 C ATOM 284 CE1 TYR A 19 12.041 -6.132 -6.867 1.00 0.00 C ATOM 285 CE2 TYR A 19 13.041 -7.924 -5.637 1.00 0.00 C ATOM 286 CZ TYR A 19 13.158 -6.733 -6.321 1.00 0.00 C ATOM 287 OH TYR A 19 14.396 -6.146 -6.461 1.00 0.00 O ATOM 0 H TYR A 19 9.888 -8.182 -3.502 1.00 0.00 H new ATOM 0 HA TYR A 19 8.112 -6.905 -5.323 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.465 -9.618 -5.543 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.841 -8.650 -6.864 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.930 -6.257 -7.146 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.716 -9.447 -4.960 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.134 -5.200 -7.405 1.00 0.00 H new ATOM 0 HE2 TYR A 19 13.916 -8.393 -5.212 1.00 0.00 H new ATOM 0 HH TYR A 19 15.072 -6.699 -6.017 1.00 0.00 H new ATOM 297 N MET A 20 7.174 -9.693 -3.855 1.00 0.00 N ATOM 298 CA MET A 20 6.073 -10.623 -3.633 1.00 0.00 C ATOM 299 C MET A 20 4.862 -9.918 -3.033 1.00 0.00 C ATOM 300 O MET A 20 3.734 -10.125 -3.481 1.00 0.00 O ATOM 301 CB MET A 20 6.518 -11.760 -2.715 1.00 0.00 C ATOM 302 CG MET A 20 5.444 -12.807 -2.478 1.00 0.00 C ATOM 303 SD MET A 20 5.990 -14.128 -1.375 1.00 0.00 S ATOM 304 CE MET A 20 7.372 -14.803 -2.299 1.00 0.00 C ATOM 0 H MET A 20 7.988 -9.862 -3.264 1.00 0.00 H new ATOM 0 HA MET A 20 5.784 -11.032 -4.601 1.00 0.00 H new ATOM 0 HB2 MET A 20 7.395 -12.243 -3.147 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.824 -11.342 -1.756 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.562 -12.327 -2.055 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.145 -13.238 -3.434 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.586 -15.813 -1.948 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.121 -14.833 -3.359 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.250 -14.174 -2.152 1.00 0.00 H new ATOM 314 N ALA A 21 5.103 -9.082 -2.032 1.00 0.00 N ATOM 315 CA ALA A 21 4.026 -8.382 -1.341 1.00 0.00 C ATOM 316 C ALA A 21 3.220 -7.515 -2.304 1.00 0.00 C ATOM 317 O ALA A 21 1.994 -7.514 -2.267 1.00 0.00 O ATOM 318 CB ALA A 21 4.586 -7.535 -0.210 1.00 0.00 C ATOM 0 H ALA A 21 6.036 -8.871 -1.679 1.00 0.00 H new ATOM 0 HA ALA A 21 3.354 -9.131 -0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.770 -7.019 0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.107 -8.176 0.501 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.283 -6.802 -0.615 1.00 0.00 H new ATOM 324 N ALA A 22 3.919 -6.797 -3.174 1.00 0.00 N ATOM 325 CA ALA A 22 3.274 -5.896 -4.121 1.00 0.00 C ATOM 326 C ALA A 22 2.397 -6.653 -5.118 1.00 0.00 C ATOM 327 O ALA A 22 1.227 -6.326 -5.296 1.00 0.00 O ATOM 328 CB ALA A 22 4.322 -5.075 -4.857 1.00 0.00 C ATOM 0 H ALA A 22 4.936 -6.821 -3.243 1.00 0.00 H new ATOM 0 HA ALA A 22 2.625 -5.228 -3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.830 -4.405 -5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.895 -4.489 -4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.993 -5.742 -5.398 1.00 0.00 H new ATOM 334 N GLN A 23 2.966 -7.674 -5.753 1.00 0.00 N ATOM 335 CA GLN A 23 2.257 -8.423 -6.792 1.00 0.00 C ATOM 336 C GLN A 23 1.071 -9.191 -6.209 1.00 0.00 C ATOM 337 O GLN A 23 0.028 -9.320 -6.857 1.00 0.00 O ATOM 338 CB GLN A 23 3.215 -9.382 -7.510 1.00 0.00 C ATOM 339 CG GLN A 23 3.828 -10.434 -6.600 1.00 0.00 C ATOM 340 CD GLN A 23 4.893 -11.260 -7.290 1.00 0.00 C ATOM 341 OE1 GLN A 23 4.607 -12.302 -7.876 1.00 0.00 O ATOM 342 NE2 GLN A 23 6.130 -10.796 -7.221 1.00 0.00 N ATOM 0 H GLN A 23 3.914 -8.003 -5.569 1.00 0.00 H new ATOM 0 HA GLN A 23 1.870 -7.707 -7.517 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.677 -9.881 -8.316 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.015 -8.803 -7.971 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.263 -9.945 -5.728 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.042 -11.095 -6.236 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.321 -9.926 -6.724 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.892 -11.308 -7.665 1.00 0.00 H new ATOM 351 N ALA A 24 1.229 -9.687 -4.986 1.00 0.00 N ATOM 352 CA ALA A 24 0.160 -10.410 -4.311 1.00 0.00 C ATOM 353 C ALA A 24 -0.952 -9.450 -3.909 1.00 0.00 C ATOM 354 O ALA A 24 -2.141 -9.756 -4.044 1.00 0.00 O ATOM 355 CB ALA A 24 0.708 -11.141 -3.094 1.00 0.00 C ATOM 0 H ALA A 24 2.088 -9.601 -4.443 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.256 -11.148 -4.997 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.100 -11.678 -2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.474 -11.849 -3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.143 -10.420 -2.402 1.00 0.00 H new ATOM 361 N LEU A 25 -0.549 -8.286 -3.422 1.00 0.00 N ATOM 362 CA LEU A 25 -1.483 -7.231 -3.054 1.00 0.00 C ATOM 363 C LEU A 25 -2.269 -6.756 -4.279 1.00 0.00 C ATOM 364 O LEU A 25 -3.469 -6.487 -4.194 1.00 0.00 O ATOM 365 CB LEU A 25 -0.711 -6.069 -2.423 1.00 0.00 C ATOM 366 CG LEU A 25 -1.544 -4.874 -1.964 1.00 0.00 C ATOM 367 CD1 LEU A 25 -2.579 -5.298 -0.931 1.00 0.00 C ATOM 368 CD2 LEU A 25 -0.628 -3.803 -1.397 1.00 0.00 C ATOM 0 H LEU A 25 0.431 -8.046 -3.271 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.198 -7.621 -2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.159 -6.451 -1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.026 -5.716 -3.144 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.079 -4.467 -2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.159 -4.429 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.245 -6.042 -1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.074 -5.726 -0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.224 -2.951 -1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.077 -4.208 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.075 -3.481 -2.166 1.00 0.00 H new ATOM 380 N LYS A 26 -1.582 -6.671 -5.419 1.00 0.00 N ATOM 381 CA LYS A 26 -2.209 -6.285 -6.682 1.00 0.00 C ATOM 382 C LYS A 26 -3.390 -7.197 -7.014 1.00 0.00 C ATOM 383 O LYS A 26 -4.444 -6.726 -7.440 1.00 0.00 O ATOM 384 CB LYS A 26 -1.192 -6.334 -7.827 1.00 0.00 C ATOM 385 CG LYS A 26 -0.145 -5.233 -7.792 1.00 0.00 C ATOM 386 CD LYS A 26 -0.756 -3.855 -8.010 1.00 0.00 C ATOM 387 CE LYS A 26 -1.471 -3.750 -9.352 1.00 0.00 C ATOM 388 NZ LYS A 26 -0.561 -3.990 -10.508 1.00 0.00 N ATOM 0 H LYS A 26 -0.584 -6.866 -5.492 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.575 -5.265 -6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.686 -7.299 -7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.728 -6.277 -8.774 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.370 -5.253 -6.831 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.605 -5.422 -8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.461 -3.640 -7.207 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.028 -3.099 -7.957 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.288 -4.471 -9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.917 -2.760 -9.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.066 -3.791 -11.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.267 -3.365 -10.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.248 -4.982 -10.503 1.00 0.00 H new ATOM 402 N LYS A 27 -3.206 -8.500 -6.811 1.00 0.00 N ATOM 403 CA LYS A 27 -4.252 -9.476 -7.092 1.00 0.00 C ATOM 404 C LYS A 27 -5.488 -9.222 -6.240 1.00 0.00 C ATOM 405 O LYS A 27 -6.608 -9.180 -6.752 1.00 0.00 O ATOM 406 CB LYS A 27 -3.745 -10.898 -6.857 1.00 0.00 C ATOM 407 CG LYS A 27 -2.864 -11.433 -7.974 1.00 0.00 C ATOM 408 CD LYS A 27 -3.588 -11.387 -9.309 1.00 0.00 C ATOM 409 CE LYS A 27 -2.829 -12.128 -10.398 1.00 0.00 C ATOM 410 NZ LYS A 27 -1.426 -11.655 -10.537 1.00 0.00 N ATOM 0 H LYS A 27 -2.340 -8.903 -6.452 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.527 -9.367 -8.141 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.184 -10.923 -5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.601 -11.562 -6.733 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.948 -10.845 -8.033 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.571 -12.459 -7.751 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.580 -11.824 -9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.729 -10.349 -9.609 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.829 -13.195 -10.175 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.348 -12.001 -11.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.010 -12.052 -11.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.414 -10.616 -10.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.872 -11.966 -9.714 1.00 0.00 H new ATOM 424 N GLY A 28 -5.275 -9.041 -4.942 1.00 0.00 N ATOM 425 CA GLY A 28 -6.383 -8.810 -4.034 1.00 0.00 C ATOM 426 C GLY A 28 -7.122 -7.522 -4.339 1.00 0.00 C ATOM 427 O GLY A 28 -8.353 -7.475 -4.292 1.00 0.00 O ATOM 0 H GLY A 28 -4.355 -9.050 -4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.078 -9.647 -4.093 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.010 -8.778 -3.010 1.00 0.00 H new ATOM 431 N ALA A 29 -6.371 -6.480 -4.663 1.00 0.00 N ATOM 432 CA ALA A 29 -6.952 -5.178 -4.958 1.00 0.00 C ATOM 433 C ALA A 29 -7.782 -5.218 -6.235 1.00 0.00 C ATOM 434 O ALA A 29 -8.942 -4.805 -6.252 1.00 0.00 O ATOM 435 CB ALA A 29 -5.855 -4.137 -5.069 1.00 0.00 C ATOM 0 H ALA A 29 -5.354 -6.511 -4.729 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.619 -4.908 -4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.297 -3.165 -5.290 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.309 -4.082 -4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.170 -4.415 -5.870 1.00 0.00 H new ATOM 441 N LYS A 30 -7.198 -5.750 -7.298 1.00 0.00 N ATOM 442 CA LYS A 30 -7.869 -5.784 -8.589 1.00 0.00 C ATOM 443 C LYS A 30 -9.067 -6.734 -8.543 1.00 0.00 C ATOM 444 O LYS A 30 -10.032 -6.575 -9.296 1.00 0.00 O ATOM 445 CB LYS A 30 -6.888 -6.196 -9.693 1.00 0.00 C ATOM 446 CG LYS A 30 -7.375 -5.891 -11.103 1.00 0.00 C ATOM 447 CD LYS A 30 -7.611 -4.400 -11.305 1.00 0.00 C ATOM 448 CE LYS A 30 -7.985 -4.072 -12.744 1.00 0.00 C ATOM 449 NZ LYS A 30 -6.854 -4.296 -13.684 1.00 0.00 N ATOM 0 H LYS A 30 -6.265 -6.162 -7.293 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.236 -4.783 -8.817 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.939 -5.686 -9.530 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.693 -7.265 -9.611 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.641 -6.245 -11.827 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.300 -6.435 -11.295 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.406 -4.065 -10.638 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.711 -3.850 -11.030 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.833 -4.686 -13.046 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.306 -3.032 -12.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.095 -3.903 -14.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.001 -3.825 -13.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.674 -5.316 -13.774 1.00 0.00 H new ATOM 463 N LYS A 31 -9.008 -7.720 -7.649 1.00 0.00 N ATOM 464 CA LYS A 31 -10.115 -8.649 -7.460 1.00 0.00 C ATOM 465 C LYS A 31 -11.309 -7.932 -6.838 1.00 0.00 C ATOM 466 O LYS A 31 -12.462 -8.230 -7.153 1.00 0.00 O ATOM 467 CB LYS A 31 -9.704 -9.815 -6.557 1.00 0.00 C ATOM 468 CG LYS A 31 -10.728 -10.938 -6.522 1.00 0.00 C ATOM 469 CD LYS A 31 -10.504 -11.883 -5.352 1.00 0.00 C ATOM 470 CE LYS A 31 -9.121 -12.512 -5.370 1.00 0.00 C ATOM 471 NZ LYS A 31 -8.931 -13.438 -4.221 1.00 0.00 N ATOM 0 H LYS A 31 -8.204 -7.894 -7.045 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.392 -9.039 -8.439 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.750 -10.213 -6.901 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.547 -9.444 -5.544 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.729 -10.512 -6.457 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.681 -11.500 -7.455 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.640 -11.338 -4.418 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.258 -12.670 -5.375 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.979 -13.055 -6.304 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.363 -11.729 -5.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.441 -14.297 -4.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.361 -12.970 -3.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.858 -13.696 -3.826 1.00 0.00 H new ATOM 485 N MET A 32 -11.024 -6.986 -5.956 1.00 0.00 N ATOM 486 CA MET A 32 -12.070 -6.243 -5.263 1.00 0.00 C ATOM 487 C MET A 32 -12.559 -5.067 -6.101 1.00 0.00 C ATOM 488 O MET A 32 -13.490 -4.364 -5.714 1.00 0.00 O ATOM 489 CB MET A 32 -11.572 -5.760 -3.902 1.00 0.00 C ATOM 490 CG MET A 32 -11.377 -6.882 -2.897 1.00 0.00 C ATOM 491 SD MET A 32 -12.918 -7.745 -2.522 1.00 0.00 S ATOM 492 CE MET A 32 -12.334 -8.991 -1.375 1.00 0.00 C ATOM 0 H MET A 32 -10.075 -6.713 -5.702 1.00 0.00 H new ATOM 0 HA MET A 32 -12.912 -6.917 -5.107 1.00 0.00 H new ATOM 0 HB2 MET A 32 -10.627 -5.234 -4.035 1.00 0.00 H new ATOM 0 HB3 MET A 32 -12.284 -5.040 -3.498 1.00 0.00 H new ATOM 0 HG2 MET A 32 -10.651 -7.594 -3.288 1.00 0.00 H new ATOM 0 HG3 MET A 32 -10.959 -6.473 -1.977 1.00 0.00 H new ATOM 0 HE1 MET A 32 -12.826 -9.940 -1.587 1.00 0.00 H new ATOM 0 HE2 MET A 32 -11.256 -9.109 -1.484 1.00 0.00 H new ATOM 0 HE3 MET A 32 -12.564 -8.683 -0.355 1.00 0.00 H new ATOM 502 N GLY A 33 -11.910 -4.852 -7.236 1.00 0.00 N ATOM 503 CA GLY A 33 -12.385 -3.877 -8.197 1.00 0.00 C ATOM 504 C GLY A 33 -11.900 -2.469 -7.929 1.00 0.00 C ATOM 505 O GLY A 33 -12.487 -1.510 -8.421 1.00 0.00 O ATOM 0 H GLY A 33 -11.057 -5.339 -7.510 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.065 -4.178 -9.194 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.475 -3.882 -8.197 1.00 0.00 H new ATOM 509 N ASN A 34 -10.831 -2.334 -7.160 1.00 0.00 N ATOM 510 CA ASN A 34 -10.291 -1.016 -6.861 1.00 0.00 C ATOM 511 C ASN A 34 -8.980 -0.789 -7.594 1.00 0.00 C ATOM 512 O ASN A 34 -8.419 -1.712 -8.190 1.00 0.00 O ATOM 513 CB ASN A 34 -10.100 -0.815 -5.352 1.00 0.00 C ATOM 514 CG ASN A 34 -9.259 -1.895 -4.706 1.00 0.00 C ATOM 515 OD1 ASN A 34 -8.036 -1.801 -4.647 1.00 0.00 O ATOM 516 ND2 ASN A 34 -9.918 -2.923 -4.198 1.00 0.00 N ATOM 0 H ASN A 34 -10.324 -3.111 -6.735 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.016 -0.280 -7.209 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.631 0.154 -5.178 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.077 -0.788 -4.870 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.409 -3.677 -3.736 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.935 -2.962 -4.269 1.00 0.00 H new ATOM 523 N LEU A 35 -8.504 0.445 -7.553 1.00 0.00 N ATOM 524 CA LEU A 35 -7.292 0.825 -8.261 1.00 0.00 C ATOM 525 C LEU A 35 -6.189 1.135 -7.265 1.00 0.00 C ATOM 526 O LEU A 35 -6.305 2.068 -6.468 1.00 0.00 O ATOM 527 CB LEU A 35 -7.540 2.042 -9.164 1.00 0.00 C ATOM 528 CG LEU A 35 -8.438 1.804 -10.386 1.00 0.00 C ATOM 529 CD1 LEU A 35 -7.989 0.566 -11.146 1.00 0.00 C ATOM 530 CD2 LEU A 35 -9.904 1.688 -9.987 1.00 0.00 C ATOM 0 H LEU A 35 -8.942 1.205 -7.033 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.987 -0.010 -8.891 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.985 2.833 -8.560 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.576 2.412 -9.513 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.342 2.669 -11.042 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.637 0.414 -12.009 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.961 0.699 -11.484 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.046 -0.304 -10.491 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.511 1.520 -10.877 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.029 0.852 -9.299 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.222 2.609 -9.499 1.00 0.00 H new ATOM 542 N ILE A 36 -5.126 0.351 -7.314 1.00 0.00 N ATOM 543 CA ILE A 36 -4.051 0.475 -6.346 1.00 0.00 C ATOM 544 C ILE A 36 -2.723 0.783 -7.034 1.00 0.00 C ATOM 545 O ILE A 36 -2.436 0.286 -8.126 1.00 0.00 O ATOM 546 CB ILE A 36 -3.924 -0.807 -5.488 1.00 0.00 C ATOM 547 CG1 ILE A 36 -2.975 -0.570 -4.311 1.00 0.00 C ATOM 548 CG2 ILE A 36 -3.448 -1.986 -6.333 1.00 0.00 C ATOM 549 CD1 ILE A 36 -2.908 -1.731 -3.343 1.00 0.00 C ATOM 0 H ILE A 36 -4.985 -0.378 -8.014 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.298 1.308 -5.688 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.911 -1.052 -5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.975 -0.371 -4.696 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.293 0.323 -3.773 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.367 -2.874 -5.706 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.163 -2.172 -7.134 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.473 -1.756 -6.763 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.216 -1.492 -2.535 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.899 -1.917 -2.929 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.560 -2.622 -3.866 1.00 0.00 H new ATOM 561 N LYS A 37 -1.931 1.627 -6.393 1.00 0.00 N ATOM 562 CA LYS A 37 -0.611 1.985 -6.891 1.00 0.00 C ATOM 563 C LYS A 37 0.435 1.638 -5.833 1.00 0.00 C ATOM 564 O LYS A 37 0.508 2.287 -4.787 1.00 0.00 O ATOM 565 CB LYS A 37 -0.572 3.481 -7.233 1.00 0.00 C ATOM 566 CG LYS A 37 0.664 3.919 -8.005 1.00 0.00 C ATOM 567 CD LYS A 37 0.759 3.231 -9.358 1.00 0.00 C ATOM 568 CE LYS A 37 1.920 3.772 -10.178 1.00 0.00 C ATOM 569 NZ LYS A 37 1.705 5.186 -10.588 1.00 0.00 N ATOM 0 H LYS A 37 -2.183 2.082 -5.516 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.391 1.424 -7.799 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.458 3.730 -7.818 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.629 4.054 -6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.639 4.999 -8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.556 3.695 -7.420 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.883 2.158 -9.214 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.172 3.373 -9.906 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.839 3.699 -9.596 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.055 3.154 -11.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.520 5.514 -11.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.842 5.253 -11.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.602 5.781 -9.741 1.00 0.00 H new ATOM 583 N VAL A 38 1.213 0.595 -6.090 1.00 0.00 N ATOM 584 CA VAL A 38 2.150 0.084 -5.099 1.00 0.00 C ATOM 585 C VAL A 38 3.587 0.542 -5.355 1.00 0.00 C ATOM 586 O VAL A 38 4.088 0.482 -6.480 1.00 0.00 O ATOM 587 CB VAL A 38 2.109 -1.457 -5.027 1.00 0.00 C ATOM 588 CG1 VAL A 38 0.770 -1.932 -4.486 1.00 0.00 C ATOM 589 CG2 VAL A 38 2.385 -2.085 -6.386 1.00 0.00 C ATOM 0 H VAL A 38 1.214 0.087 -6.975 1.00 0.00 H new ATOM 0 HA VAL A 38 1.829 0.499 -4.144 1.00 0.00 H new ATOM 0 HB VAL A 38 2.896 -1.777 -4.344 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.761 -3.021 -4.443 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.618 -1.528 -3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.030 -1.588 -5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.349 -3.171 -6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.632 -1.753 -7.100 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.373 -1.782 -6.733 1.00 0.00 H new ATOM 599 N GLU A 39 4.237 1.002 -4.296 1.00 0.00 N ATOM 600 CA GLU A 39 5.646 1.376 -4.345 1.00 0.00 C ATOM 601 C GLU A 39 6.510 0.214 -3.875 1.00 0.00 C ATOM 602 O GLU A 39 6.215 -0.419 -2.859 1.00 0.00 O ATOM 603 CB GLU A 39 5.906 2.614 -3.470 1.00 0.00 C ATOM 604 CG GLU A 39 7.384 2.957 -3.291 1.00 0.00 C ATOM 605 CD GLU A 39 7.595 4.310 -2.638 1.00 0.00 C ATOM 606 OE1 GLU A 39 7.258 5.334 -3.268 1.00 0.00 O ATOM 607 OE2 GLU A 39 8.109 4.356 -1.499 1.00 0.00 O ATOM 0 H GLU A 39 3.806 1.127 -3.380 1.00 0.00 H new ATOM 0 HA GLU A 39 5.905 1.619 -5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.397 3.471 -3.912 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.461 2.451 -2.488 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.861 2.187 -2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.876 2.947 -4.264 1.00 0.00 H new ATOM 614 N THR A 40 7.560 -0.075 -4.622 1.00 0.00 N ATOM 615 CA THR A 40 8.497 -1.110 -4.241 1.00 0.00 C ATOM 616 C THR A 40 9.688 -0.461 -3.549 1.00 0.00 C ATOM 617 O THR A 40 10.582 0.077 -4.206 1.00 0.00 O ATOM 618 CB THR A 40 8.970 -1.907 -5.470 1.00 0.00 C ATOM 619 OG1 THR A 40 7.845 -2.214 -6.306 1.00 0.00 O ATOM 620 CG2 THR A 40 9.661 -3.197 -5.054 1.00 0.00 C ATOM 0 H THR A 40 7.784 0.396 -5.499 1.00 0.00 H new ATOM 0 HA THR A 40 8.003 -1.806 -3.563 1.00 0.00 H new ATOM 0 HB THR A 40 9.686 -1.296 -6.020 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.148 -2.720 -7.089 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.984 -3.739 -5.942 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.528 -2.963 -4.436 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.966 -3.815 -4.485 1.00 0.00 H new ATOM 628 N GLN A 41 9.670 -0.473 -2.226 1.00 0.00 N ATOM 629 CA GLN A 41 10.662 0.246 -1.444 1.00 0.00 C ATOM 630 C GLN A 41 11.659 -0.720 -0.817 1.00 0.00 C ATOM 631 O GLN A 41 11.278 -1.684 -0.156 1.00 0.00 O ATOM 632 CB GLN A 41 9.947 1.065 -0.367 1.00 0.00 C ATOM 633 CG GLN A 41 10.842 2.017 0.406 1.00 0.00 C ATOM 634 CD GLN A 41 11.570 2.989 -0.493 1.00 0.00 C ATOM 635 OE1 GLN A 41 12.713 2.746 -0.884 1.00 0.00 O ATOM 636 NE2 GLN A 41 10.896 4.061 -0.876 1.00 0.00 N ATOM 0 H GLN A 41 8.977 -0.974 -1.670 1.00 0.00 H new ATOM 0 HA GLN A 41 11.221 0.917 -2.096 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.149 1.640 -0.837 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.475 0.380 0.337 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.240 2.573 1.124 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.570 1.442 0.978 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.951 4.221 -0.526 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.321 4.727 -1.521 1.00 0.00 H new ATOM 645 N GLY A 42 12.936 -0.470 -1.038 1.00 0.00 N ATOM 646 CA GLY A 42 13.961 -1.316 -0.463 1.00 0.00 C ATOM 647 C GLY A 42 14.916 -0.530 0.404 1.00 0.00 C ATOM 648 O GLY A 42 15.990 -1.025 0.750 1.00 0.00 O ATOM 0 H GLY A 42 13.284 0.303 -1.605 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.493 -2.101 0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.516 -1.808 -1.261 1.00 0.00 H new ATOM 652 N ALA A 43 14.517 0.703 0.732 1.00 0.00 N ATOM 653 CA ALA A 43 15.323 1.631 1.538 1.00 0.00 C ATOM 654 C ALA A 43 16.529 2.140 0.755 1.00 0.00 C ATOM 655 O ALA A 43 16.748 3.348 0.652 1.00 0.00 O ATOM 656 CB ALA A 43 15.763 0.995 2.854 1.00 0.00 C ATOM 0 H ALA A 43 13.618 1.090 0.444 1.00 0.00 H new ATOM 0 HA ALA A 43 14.689 2.485 1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.357 1.710 3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.884 0.711 3.433 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.363 0.109 2.647 1.00 0.00 H new ATOM 662 N THR A 44 17.298 1.212 0.203 1.00 0.00 N ATOM 663 CA THR A 44 18.450 1.536 -0.618 1.00 0.00 C ATOM 664 C THR A 44 18.009 2.155 -1.945 1.00 0.00 C ATOM 665 O THR A 44 18.759 2.903 -2.573 1.00 0.00 O ATOM 666 CB THR A 44 19.286 0.267 -0.895 1.00 0.00 C ATOM 667 OG1 THR A 44 19.469 -0.464 0.325 1.00 0.00 O ATOM 668 CG2 THR A 44 20.647 0.618 -1.482 1.00 0.00 C ATOM 0 H THR A 44 17.138 0.211 0.314 1.00 0.00 H new ATOM 0 HA THR A 44 19.060 2.258 -0.075 1.00 0.00 H new ATOM 0 HB THR A 44 18.746 -0.343 -1.620 1.00 0.00 H new ATOM 0 HG1 THR A 44 19.998 -1.270 0.147 1.00 0.00 H new ATOM 0 HG21 THR A 44 21.211 -0.297 -1.666 1.00 0.00 H new ATOM 0 HG22 THR A 44 20.511 1.155 -2.421 1.00 0.00 H new ATOM 0 HG23 THR A 44 21.195 1.247 -0.780 1.00 0.00 H new ATOM 676 N GLY A 45 16.783 1.855 -2.358 1.00 0.00 N ATOM 677 CA GLY A 45 16.286 2.361 -3.616 1.00 0.00 C ATOM 678 C GLY A 45 14.789 2.193 -3.753 1.00 0.00 C ATOM 679 O GLY A 45 14.200 1.282 -3.165 1.00 0.00 O ATOM 0 H GLY A 45 16.127 1.270 -1.841 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.540 3.417 -3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.784 1.842 -4.435 1.00 0.00 H new ATOM 683 N ILE A 46 14.181 3.079 -4.525 1.00 0.00 N ATOM 684 CA ILE A 46 12.757 3.021 -4.803 1.00 0.00 C ATOM 685 C ILE A 46 12.542 2.484 -6.213 1.00 0.00 C ATOM 686 O ILE A 46 13.051 3.055 -7.181 1.00 0.00 O ATOM 687 CB ILE A 46 12.111 4.418 -4.701 1.00 0.00 C ATOM 688 CG1 ILE A 46 12.566 5.132 -3.423 1.00 0.00 C ATOM 689 CG2 ILE A 46 10.596 4.297 -4.731 1.00 0.00 C ATOM 690 CD1 ILE A 46 12.004 6.531 -3.268 1.00 0.00 C ATOM 0 H ILE A 46 14.661 3.858 -4.976 1.00 0.00 H new ATOM 0 HA ILE A 46 12.292 2.366 -4.066 1.00 0.00 H new ATOM 0 HB ILE A 46 12.432 5.012 -5.556 1.00 0.00 H new ATOM 0 HG12 ILE A 46 12.271 4.535 -2.560 1.00 0.00 H new ATOM 0 HG13 ILE A 46 13.655 5.186 -3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.150 5.289 -4.658 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.287 3.828 -5.665 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.263 3.687 -3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 46 12.371 6.970 -2.340 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.320 7.146 -4.111 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.915 6.485 -3.241 1.00 0.00 H new ATOM 702 N GLU A 47 11.801 1.391 -6.338 1.00 0.00 N ATOM 703 CA GLU A 47 11.583 0.778 -7.641 1.00 0.00 C ATOM 704 C GLU A 47 10.416 1.450 -8.351 1.00 0.00 C ATOM 705 O GLU A 47 10.448 1.656 -9.564 1.00 0.00 O ATOM 706 CB GLU A 47 11.337 -0.724 -7.493 1.00 0.00 C ATOM 707 CG GLU A 47 11.248 -1.457 -8.820 1.00 0.00 C ATOM 708 CD GLU A 47 12.508 -1.319 -9.651 1.00 0.00 C ATOM 709 OE1 GLU A 47 13.452 -2.115 -9.460 1.00 0.00 O ATOM 710 OE2 GLU A 47 12.560 -0.412 -10.508 1.00 0.00 O ATOM 0 H GLU A 47 11.344 0.914 -5.560 1.00 0.00 H new ATOM 0 HA GLU A 47 12.479 0.916 -8.246 1.00 0.00 H new ATOM 0 HB2 GLU A 47 12.141 -1.159 -6.900 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.412 -0.880 -6.938 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.054 -2.513 -8.634 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.400 -1.072 -9.387 1.00 0.00 H new ATOM 717 N ASN A 48 9.401 1.818 -7.587 1.00 0.00 N ATOM 718 CA ASN A 48 8.244 2.505 -8.140 1.00 0.00 C ATOM 719 C ASN A 48 7.857 3.661 -7.238 1.00 0.00 C ATOM 720 O ASN A 48 7.051 3.499 -6.328 1.00 0.00 O ATOM 721 CB ASN A 48 7.057 1.552 -8.292 1.00 0.00 C ATOM 722 CG ASN A 48 5.935 2.163 -9.108 1.00 0.00 C ATOM 723 OD1 ASN A 48 6.177 2.933 -10.039 1.00 0.00 O ATOM 724 ND2 ASN A 48 4.701 1.839 -8.760 1.00 0.00 N ATOM 0 H ASN A 48 9.354 1.653 -6.582 1.00 0.00 H new ATOM 0 HA ASN A 48 8.510 2.881 -9.128 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.391 0.631 -8.769 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.681 1.282 -7.305 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.908 2.230 -9.269 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.542 1.198 -7.983 1.00 0.00 H new ATOM 731 N GLU A 49 8.463 4.811 -7.476 1.00 0.00 N ATOM 732 CA GLU A 49 8.249 5.984 -6.637 1.00 0.00 C ATOM 733 C GLU A 49 6.824 6.508 -6.767 1.00 0.00 C ATOM 734 O GLU A 49 6.372 6.842 -7.868 1.00 0.00 O ATOM 735 CB GLU A 49 9.247 7.078 -7.016 1.00 0.00 C ATOM 736 CG GLU A 49 9.067 8.372 -6.240 1.00 0.00 C ATOM 737 CD GLU A 49 10.080 9.422 -6.632 1.00 0.00 C ATOM 738 OE1 GLU A 49 11.166 9.452 -6.023 1.00 0.00 O ATOM 739 OE2 GLU A 49 9.799 10.216 -7.554 1.00 0.00 O ATOM 0 H GLU A 49 9.112 4.961 -8.248 1.00 0.00 H new ATOM 0 HA GLU A 49 8.404 5.692 -5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.258 6.706 -6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.153 7.289 -8.081 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.062 8.758 -6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.153 8.168 -5.173 1.00 0.00 H new ATOM 746 N LEU A 50 6.116 6.568 -5.649 1.00 0.00 N ATOM 747 CA LEU A 50 4.794 7.170 -5.626 1.00 0.00 C ATOM 748 C LEU A 50 4.922 8.680 -5.503 1.00 0.00 C ATOM 749 O LEU A 50 5.292 9.200 -4.448 1.00 0.00 O ATOM 750 CB LEU A 50 3.955 6.611 -4.473 1.00 0.00 C ATOM 751 CG LEU A 50 3.754 5.093 -4.485 1.00 0.00 C ATOM 752 CD1 LEU A 50 2.798 4.672 -3.380 1.00 0.00 C ATOM 753 CD2 LEU A 50 3.244 4.623 -5.838 1.00 0.00 C ATOM 0 H LEU A 50 6.435 6.208 -4.749 1.00 0.00 H new ATOM 0 HA LEU A 50 4.285 6.926 -6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.429 6.891 -3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.976 7.091 -4.492 1.00 0.00 H new ATOM 0 HG LEU A 50 4.721 4.623 -4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.668 3.590 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.207 4.967 -2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.833 5.157 -3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.109 3.541 -5.820 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.290 5.104 -6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.966 4.886 -6.611 1.00 0.00 H new ATOM 765 N THR A 51 4.628 9.381 -6.588 1.00 0.00 N ATOM 766 CA THR A 51 4.777 10.826 -6.619 1.00 0.00 C ATOM 767 C THR A 51 3.615 11.503 -5.902 1.00 0.00 C ATOM 768 O THR A 51 2.627 10.849 -5.565 1.00 0.00 O ATOM 769 CB THR A 51 4.877 11.351 -8.066 1.00 0.00 C ATOM 770 OG1 THR A 51 3.735 10.941 -8.835 1.00 0.00 O ATOM 771 CG2 THR A 51 6.147 10.847 -8.730 1.00 0.00 C ATOM 0 H THR A 51 4.285 8.972 -7.457 1.00 0.00 H new ATOM 0 HA THR A 51 5.705 11.069 -6.101 1.00 0.00 H new ATOM 0 HB THR A 51 4.904 12.440 -8.027 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.748 9.967 -8.946 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.200 11.228 -9.750 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.014 11.194 -8.168 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.140 9.757 -8.749 1.00 0.00 H new ATOM 779 N GLU A 52 3.741 12.808 -5.667 1.00 0.00 N ATOM 780 CA GLU A 52 2.674 13.585 -5.036 1.00 0.00 C ATOM 781 C GLU A 52 1.369 13.364 -5.792 1.00 0.00 C ATOM 782 O GLU A 52 0.310 13.181 -5.195 1.00 0.00 O ATOM 783 CB GLU A 52 3.008 15.087 -5.019 1.00 0.00 C ATOM 784 CG GLU A 52 4.349 15.442 -4.379 1.00 0.00 C ATOM 785 CD GLU A 52 5.535 15.106 -5.262 1.00 0.00 C ATOM 786 OE1 GLU A 52 5.559 15.553 -6.424 1.00 0.00 O ATOM 787 OE2 GLU A 52 6.435 14.372 -4.811 1.00 0.00 O ATOM 0 H GLU A 52 4.572 13.350 -5.904 1.00 0.00 H new ATOM 0 HA GLU A 52 2.572 13.247 -4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.002 15.457 -6.044 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.217 15.614 -4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.365 16.507 -4.149 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.446 14.910 -3.433 1.00 0.00 H new ATOM 794 N LYS A 53 1.480 13.357 -7.115 1.00 0.00 N ATOM 795 CA LYS A 53 0.356 13.098 -8.003 1.00 0.00 C ATOM 796 C LYS A 53 -0.355 11.793 -7.639 1.00 0.00 C ATOM 797 O LYS A 53 -1.576 11.768 -7.483 1.00 0.00 O ATOM 798 CB LYS A 53 0.871 13.040 -9.442 1.00 0.00 C ATOM 799 CG LYS A 53 -0.190 12.749 -10.488 1.00 0.00 C ATOM 800 CD LYS A 53 0.440 12.672 -11.869 1.00 0.00 C ATOM 801 CE LYS A 53 -0.574 12.321 -12.943 1.00 0.00 C ATOM 802 NZ LYS A 53 0.063 12.239 -14.284 1.00 0.00 N ATOM 0 H LYS A 53 2.358 13.532 -7.604 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.371 13.903 -7.898 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.346 13.992 -9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.643 12.274 -9.506 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.691 11.809 -10.256 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.951 13.529 -10.471 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.904 13.629 -12.109 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.234 11.925 -11.863 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.045 11.368 -12.703 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.364 13.072 -12.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.656 11.998 -14.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.491 13.157 -14.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.800 11.505 -14.274 1.00 0.00 H new ATOM 816 N ASP A 54 0.417 10.719 -7.485 1.00 0.00 N ATOM 817 CA ASP A 54 -0.140 9.408 -7.146 1.00 0.00 C ATOM 818 C ASP A 54 -0.818 9.448 -5.788 1.00 0.00 C ATOM 819 O ASP A 54 -1.930 8.946 -5.614 1.00 0.00 O ATOM 820 CB ASP A 54 0.953 8.328 -7.118 1.00 0.00 C ATOM 821 CG ASP A 54 1.604 8.080 -8.465 1.00 0.00 C ATOM 822 OD1 ASP A 54 0.973 7.438 -9.330 1.00 0.00 O ATOM 823 OD2 ASP A 54 2.771 8.495 -8.650 1.00 0.00 O ATOM 0 H ASP A 54 1.432 10.730 -7.589 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.870 9.160 -7.917 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.721 8.620 -6.402 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.520 7.395 -6.757 1.00 0.00 H new ATOM 828 N VAL A 55 -0.147 10.071 -4.838 1.00 0.00 N ATOM 829 CA VAL A 55 -0.598 10.086 -3.458 1.00 0.00 C ATOM 830 C VAL A 55 -1.875 10.904 -3.290 1.00 0.00 C ATOM 831 O VAL A 55 -2.734 10.567 -2.475 1.00 0.00 O ATOM 832 CB VAL A 55 0.492 10.651 -2.533 1.00 0.00 C ATOM 833 CG1 VAL A 55 0.061 10.554 -1.084 1.00 0.00 C ATOM 834 CG2 VAL A 55 1.803 9.917 -2.746 1.00 0.00 C ATOM 0 H VAL A 55 0.723 10.579 -4.999 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.809 9.053 -3.182 1.00 0.00 H new ATOM 0 HB VAL A 55 0.641 11.702 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.845 10.958 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.857 11.124 -0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.115 9.510 -0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.563 10.330 -2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.667 8.858 -2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.122 10.035 -3.782 1.00 0.00 H new ATOM 844 N ASN A 56 -2.001 11.971 -4.065 1.00 0.00 N ATOM 845 CA ASN A 56 -3.178 12.832 -3.979 1.00 0.00 C ATOM 846 C ASN A 56 -4.422 12.119 -4.498 1.00 0.00 C ATOM 847 O ASN A 56 -5.543 12.447 -4.107 1.00 0.00 O ATOM 848 CB ASN A 56 -2.983 14.125 -4.776 1.00 0.00 C ATOM 849 CG ASN A 56 -2.109 15.164 -4.090 1.00 0.00 C ATOM 850 OD1 ASN A 56 -1.153 14.730 -3.290 1.00 0.00 O flip ATOM 851 ND2 ASN A 56 -2.298 16.365 -4.295 1.00 0.00 N flip ATOM 0 H ASN A 56 -1.310 12.262 -4.756 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.312 13.076 -2.925 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.542 13.878 -5.742 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.960 14.565 -4.975 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.047 16.664 -4.920 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.706 17.059 -3.840 1.00 0.00 H new ATOM 858 N ILE A 57 -4.221 11.150 -5.384 1.00 0.00 N ATOM 859 CA ILE A 57 -5.331 10.427 -5.988 1.00 0.00 C ATOM 860 C ILE A 57 -5.876 9.370 -5.031 1.00 0.00 C ATOM 861 O ILE A 57 -7.084 9.288 -4.810 1.00 0.00 O ATOM 862 CB ILE A 57 -4.913 9.756 -7.321 1.00 0.00 C ATOM 863 CG1 ILE A 57 -4.431 10.812 -8.325 1.00 0.00 C ATOM 864 CG2 ILE A 57 -6.066 8.953 -7.910 1.00 0.00 C ATOM 865 CD1 ILE A 57 -5.460 11.881 -8.632 1.00 0.00 C ATOM 0 H ILE A 57 -3.299 10.848 -5.699 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.114 11.156 -6.199 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.091 9.071 -7.113 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.532 11.288 -7.933 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.150 10.315 -9.253 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.748 8.492 -8.845 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.366 8.177 -7.206 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.910 9.615 -8.101 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.045 12.590 -9.349 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.351 11.417 -9.055 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.724 12.406 -7.714 1.00 0.00 H new ATOM 877 N GLY A 58 -4.978 8.571 -4.465 1.00 0.00 N ATOM 878 CA GLY A 58 -5.384 7.510 -3.564 1.00 0.00 C ATOM 879 C GLY A 58 -5.978 8.018 -2.260 1.00 0.00 C ATOM 880 O GLY A 58 -5.525 9.021 -1.707 1.00 0.00 O ATOM 0 H GLY A 58 -3.972 8.641 -4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.116 6.878 -4.066 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.521 6.883 -3.341 1.00 0.00 H new ATOM 884 N GLU A 59 -6.990 7.311 -1.775 1.00 0.00 N ATOM 885 CA GLU A 59 -7.659 7.653 -0.528 1.00 0.00 C ATOM 886 C GLU A 59 -6.841 7.163 0.668 1.00 0.00 C ATOM 887 O GLU A 59 -6.236 7.955 1.393 1.00 0.00 O ATOM 888 CB GLU A 59 -9.051 7.015 -0.489 1.00 0.00 C ATOM 889 CG GLU A 59 -9.969 7.454 -1.617 1.00 0.00 C ATOM 890 CD GLU A 59 -10.597 8.807 -1.367 1.00 0.00 C ATOM 891 OE1 GLU A 59 -11.413 8.916 -0.428 1.00 0.00 O ATOM 892 OE2 GLU A 59 -10.303 9.759 -2.118 1.00 0.00 O ATOM 0 H GLU A 59 -7.370 6.484 -2.236 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.754 8.737 -0.473 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.943 5.931 -0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.523 7.257 0.463 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.403 7.487 -2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.756 6.712 -1.749 1.00 0.00 H new ATOM 899 N VAL A 60 -6.810 5.846 0.844 1.00 0.00 N ATOM 900 CA VAL A 60 -6.128 5.237 1.979 1.00 0.00 C ATOM 901 C VAL A 60 -4.738 4.763 1.593 1.00 0.00 C ATOM 902 O VAL A 60 -4.491 4.390 0.443 1.00 0.00 O ATOM 903 CB VAL A 60 -6.920 4.042 2.555 1.00 0.00 C ATOM 904 CG1 VAL A 60 -8.160 4.523 3.288 1.00 0.00 C ATOM 905 CG2 VAL A 60 -7.297 3.063 1.453 1.00 0.00 C ATOM 0 H VAL A 60 -7.251 5.178 0.212 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.053 6.010 2.743 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.280 3.523 3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.703 3.666 3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.867 5.179 4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.802 5.070 2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.854 2.230 1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.915 3.570 0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.392 2.687 0.975 1.00 0.00 H new ATOM 915 N VAL A 61 -3.840 4.787 2.558 1.00 0.00 N ATOM 916 CA VAL A 61 -2.473 4.361 2.348 1.00 0.00 C ATOM 917 C VAL A 61 -2.204 3.061 3.091 1.00 0.00 C ATOM 918 O VAL A 61 -2.311 3.003 4.318 1.00 0.00 O ATOM 919 CB VAL A 61 -1.471 5.422 2.836 1.00 0.00 C ATOM 920 CG1 VAL A 61 -0.053 5.018 2.470 1.00 0.00 C ATOM 921 CG2 VAL A 61 -1.811 6.798 2.274 1.00 0.00 C ATOM 0 H VAL A 61 -4.038 5.102 3.508 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.341 4.215 1.276 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.540 5.484 3.922 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.644 5.778 2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.185 4.063 2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.030 4.923 1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.087 7.528 2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.780 6.764 1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.810 7.087 2.599 1.00 0.00 H new ATOM 931 N ILE A 62 -1.863 2.025 2.348 1.00 0.00 N ATOM 932 CA ILE A 62 -1.518 0.747 2.944 1.00 0.00 C ATOM 933 C ILE A 62 -0.003 0.620 3.064 1.00 0.00 C ATOM 934 O ILE A 62 0.716 0.684 2.067 1.00 0.00 O ATOM 935 CB ILE A 62 -2.076 -0.438 2.123 1.00 0.00 C ATOM 936 CG1 ILE A 62 -3.609 -0.386 2.088 1.00 0.00 C ATOM 937 CG2 ILE A 62 -1.598 -1.762 2.710 1.00 0.00 C ATOM 938 CD1 ILE A 62 -4.244 -1.491 1.268 1.00 0.00 C ATOM 0 H ILE A 62 -1.817 2.043 1.329 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.971 0.712 3.935 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.704 -0.361 1.101 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.988 -0.441 3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.921 0.577 1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.999 -2.587 2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.509 -1.797 2.689 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.944 -1.849 3.740 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.329 -1.385 1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.896 -1.425 0.237 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.964 -2.459 1.684 1.00 0.00 H new ATOM 950 N PHE A 63 0.483 0.468 4.284 1.00 0.00 N ATOM 951 CA PHE A 63 1.907 0.294 4.506 1.00 0.00 C ATOM 952 C PHE A 63 2.226 -1.129 4.920 1.00 0.00 C ATOM 953 O PHE A 63 1.865 -1.565 6.010 1.00 0.00 O ATOM 954 CB PHE A 63 2.432 1.262 5.564 1.00 0.00 C ATOM 955 CG PHE A 63 2.719 2.635 5.035 1.00 0.00 C ATOM 956 CD1 PHE A 63 3.616 2.812 3.996 1.00 0.00 C ATOM 957 CD2 PHE A 63 2.103 3.745 5.581 1.00 0.00 C ATOM 958 CE1 PHE A 63 3.886 4.073 3.506 1.00 0.00 C ATOM 959 CE2 PHE A 63 2.366 5.008 5.095 1.00 0.00 C ATOM 960 CZ PHE A 63 3.263 5.173 4.058 1.00 0.00 C ATOM 0 H PHE A 63 -0.084 0.462 5.132 1.00 0.00 H new ATOM 0 HA PHE A 63 2.404 0.509 3.560 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.701 1.338 6.369 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.344 0.852 5.999 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.110 1.954 3.564 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.407 3.622 6.398 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.584 4.199 2.692 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.871 5.867 5.524 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.476 6.162 3.680 1.00 0.00 H new ATOM 970 N ALA A 64 2.886 -1.850 4.035 1.00 0.00 N ATOM 971 CA ALA A 64 3.430 -3.149 4.365 1.00 0.00 C ATOM 972 C ALA A 64 4.937 -3.075 4.239 1.00 0.00 C ATOM 973 O ALA A 64 5.493 -3.285 3.160 1.00 0.00 O ATOM 974 CB ALA A 64 2.863 -4.221 3.452 1.00 0.00 C ATOM 0 H ALA A 64 3.058 -1.553 3.074 1.00 0.00 H new ATOM 0 HA ALA A 64 3.155 -3.418 5.385 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.287 -5.189 3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.779 -4.257 3.562 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.115 -3.988 2.417 1.00 0.00 H new ATOM 980 N VAL A 65 5.599 -2.740 5.331 1.00 0.00 N ATOM 981 CA VAL A 65 7.012 -2.431 5.269 1.00 0.00 C ATOM 982 C VAL A 65 7.819 -3.180 6.318 1.00 0.00 C ATOM 983 O VAL A 65 7.409 -3.323 7.470 1.00 0.00 O ATOM 984 CB VAL A 65 7.272 -0.914 5.416 1.00 0.00 C ATOM 985 CG1 VAL A 65 6.670 -0.139 4.249 1.00 0.00 C ATOM 986 CG2 VAL A 65 6.725 -0.389 6.738 1.00 0.00 C ATOM 0 H VAL A 65 5.185 -2.676 6.261 1.00 0.00 H new ATOM 0 HA VAL A 65 7.342 -2.759 4.283 1.00 0.00 H new ATOM 0 HB VAL A 65 8.352 -0.764 5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.868 0.925 4.378 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.118 -0.481 3.316 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.593 -0.307 4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.922 0.680 6.814 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.650 -0.564 6.782 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.211 -0.907 7.564 1.00 0.00 H new ATOM 996 N ASP A 66 8.956 -3.679 5.876 1.00 0.00 N ATOM 997 CA ASP A 66 9.964 -4.258 6.751 1.00 0.00 C ATOM 998 C ASP A 66 11.023 -3.207 7.055 1.00 0.00 C ATOM 999 O ASP A 66 11.708 -3.260 8.076 1.00 0.00 O ATOM 1000 CB ASP A 66 10.594 -5.483 6.072 1.00 0.00 C ATOM 1001 CG ASP A 66 11.896 -5.932 6.712 1.00 0.00 C ATOM 1002 OD1 ASP A 66 11.853 -6.551 7.795 1.00 0.00 O ATOM 1003 OD2 ASP A 66 12.972 -5.679 6.122 1.00 0.00 O ATOM 0 H ASP A 66 9.212 -3.696 4.889 1.00 0.00 H new ATOM 0 HA ASP A 66 9.506 -4.580 7.686 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.883 -6.308 6.099 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.776 -5.252 5.022 1.00 0.00 H new ATOM 1008 N THR A 67 11.121 -2.233 6.164 1.00 0.00 N ATOM 1009 CA THR A 67 12.102 -1.170 6.287 1.00 0.00 C ATOM 1010 C THR A 67 11.409 0.194 6.226 1.00 0.00 C ATOM 1011 O THR A 67 10.177 0.272 6.247 1.00 0.00 O ATOM 1012 CB THR A 67 13.175 -1.281 5.180 1.00 0.00 C ATOM 1013 OG1 THR A 67 14.220 -0.328 5.395 1.00 0.00 O ATOM 1014 CG2 THR A 67 12.568 -1.071 3.800 1.00 0.00 C ATOM 0 H THR A 67 10.525 -2.158 5.339 1.00 0.00 H new ATOM 0 HA THR A 67 12.600 -1.270 7.251 1.00 0.00 H new ATOM 0 HB THR A 67 13.591 -2.287 5.226 1.00 0.00 H new ATOM 0 HG1 THR A 67 15.085 -0.740 5.191 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.348 -1.155 3.043 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.804 -1.827 3.620 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.117 -0.080 3.748 1.00 0.00 H new ATOM 1022 N LYS A 68 12.198 1.255 6.140 1.00 0.00 N ATOM 1023 CA LYS A 68 11.678 2.613 6.141 1.00 0.00 C ATOM 1024 C LYS A 68 11.169 3.015 4.759 1.00 0.00 C ATOM 1025 O LYS A 68 11.376 2.306 3.773 1.00 0.00 O ATOM 1026 CB LYS A 68 12.771 3.585 6.589 1.00 0.00 C ATOM 1027 CG LYS A 68 13.979 3.593 5.669 1.00 0.00 C ATOM 1028 CD LYS A 68 15.017 4.612 6.104 1.00 0.00 C ATOM 1029 CE LYS A 68 16.183 4.653 5.132 1.00 0.00 C ATOM 1030 NZ LYS A 68 17.180 5.696 5.494 1.00 0.00 N ATOM 0 H LYS A 68 13.214 1.198 6.068 1.00 0.00 H new ATOM 0 HA LYS A 68 10.840 2.653 6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.355 4.591 6.640 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.092 3.321 7.597 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.429 2.601 5.653 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.658 3.814 4.651 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.558 5.599 6.168 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.379 4.364 7.101 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.671 3.678 5.111 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.809 4.844 4.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.958 5.688 4.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.723 6.630 5.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.558 5.501 6.443 1.00 0.00 H new ATOM 1044 N VAL A 69 10.509 4.162 4.700 1.00 0.00 N ATOM 1045 CA VAL A 69 10.008 4.706 3.451 1.00 0.00 C ATOM 1046 C VAL A 69 10.040 6.237 3.493 1.00 0.00 C ATOM 1047 O VAL A 69 9.414 6.865 4.347 1.00 0.00 O ATOM 1048 CB VAL A 69 8.581 4.186 3.136 1.00 0.00 C ATOM 1049 CG1 VAL A 69 7.678 4.258 4.358 1.00 0.00 C ATOM 1050 CG2 VAL A 69 7.969 4.951 1.970 1.00 0.00 C ATOM 0 H VAL A 69 10.307 4.739 5.516 1.00 0.00 H new ATOM 0 HA VAL A 69 10.659 4.366 2.646 1.00 0.00 H new ATOM 0 HB VAL A 69 8.670 3.138 2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.687 3.886 4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.098 3.648 5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.601 5.292 4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.969 4.568 1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.908 6.010 2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.592 4.823 1.084 1.00 0.00 H new ATOM 1060 N ARG A 70 10.784 6.828 2.567 1.00 0.00 N ATOM 1061 CA ARG A 70 10.995 8.271 2.547 1.00 0.00 C ATOM 1062 C ARG A 70 9.712 8.998 2.169 1.00 0.00 C ATOM 1063 O ARG A 70 9.373 10.021 2.754 1.00 0.00 O ATOM 1064 CB ARG A 70 12.133 8.621 1.573 1.00 0.00 C ATOM 1065 CG ARG A 70 12.455 10.110 1.478 1.00 0.00 C ATOM 1066 CD ARG A 70 11.677 10.796 0.361 1.00 0.00 C ATOM 1067 NE ARG A 70 11.883 12.244 0.360 1.00 0.00 N ATOM 1068 CZ ARG A 70 11.681 13.030 -0.698 1.00 0.00 C ATOM 1069 NH1 ARG A 70 11.325 12.515 -1.867 1.00 0.00 N ATOM 1070 NH2 ARG A 70 11.847 14.342 -0.586 1.00 0.00 N ATOM 0 H ARG A 70 11.255 6.326 1.814 1.00 0.00 H new ATOM 0 HA ARG A 70 11.280 8.599 3.547 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.033 8.087 1.880 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.869 8.256 0.580 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.224 10.591 2.428 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.524 10.239 1.307 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.985 10.385 -0.601 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.614 10.581 0.474 1.00 0.00 H new ATOM 0 HE ARG A 70 12.202 12.681 1.225 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.203 11.507 -1.964 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.173 13.127 -2.669 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.128 14.746 0.307 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.693 14.946 -1.393 1.00 0.00 H new ATOM 1084 N ASN A 71 8.983 8.437 1.214 1.00 0.00 N ATOM 1085 CA ASN A 71 7.776 9.071 0.693 1.00 0.00 C ATOM 1086 C ASN A 71 6.655 9.101 1.729 1.00 0.00 C ATOM 1087 O ASN A 71 5.627 9.745 1.514 1.00 0.00 O ATOM 1088 CB ASN A 71 7.308 8.360 -0.583 1.00 0.00 C ATOM 1089 CG ASN A 71 8.234 8.625 -1.755 1.00 0.00 C ATOM 1090 OD1 ASN A 71 8.850 9.687 -1.842 1.00 0.00 O ATOM 1091 ND2 ASN A 71 8.348 7.669 -2.662 1.00 0.00 N ATOM 0 H ASN A 71 9.206 7.540 0.782 1.00 0.00 H new ATOM 0 HA ASN A 71 8.026 10.105 0.453 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.253 7.287 -0.400 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.301 8.693 -0.835 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.962 7.799 -3.466 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.822 6.801 -2.557 1.00 0.00 H new ATOM 1098 N LYS A 72 6.867 8.426 2.864 1.00 0.00 N ATOM 1099 CA LYS A 72 5.871 8.356 3.938 1.00 0.00 C ATOM 1100 C LYS A 72 5.433 9.752 4.381 1.00 0.00 C ATOM 1101 O LYS A 72 4.341 9.916 4.921 1.00 0.00 O ATOM 1102 CB LYS A 72 6.416 7.581 5.140 1.00 0.00 C ATOM 1103 CG LYS A 72 5.327 7.041 6.057 1.00 0.00 C ATOM 1104 CD LYS A 72 5.906 6.271 7.233 1.00 0.00 C ATOM 1105 CE LYS A 72 6.309 7.194 8.370 1.00 0.00 C ATOM 1106 NZ LYS A 72 5.128 7.705 9.120 1.00 0.00 N ATOM 0 H LYS A 72 7.728 7.916 3.063 1.00 0.00 H new ATOM 0 HA LYS A 72 5.003 7.829 3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.024 6.750 4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.074 8.233 5.715 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.721 7.868 6.428 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.663 6.390 5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.171 5.551 7.593 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.775 5.702 6.902 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.969 6.660 9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.876 8.035 7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.450 8.233 9.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.572 8.334 8.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.536 6.905 9.422 1.00 0.00 H new ATOM 1120 N GLU A 73 6.299 10.739 4.138 1.00 0.00 N ATOM 1121 CA GLU A 73 6.026 12.150 4.470 1.00 0.00 C ATOM 1122 C GLU A 73 4.580 12.531 4.146 1.00 0.00 C ATOM 1123 O GLU A 73 3.842 13.041 4.992 1.00 0.00 O ATOM 1124 CB GLU A 73 6.925 13.074 3.641 1.00 0.00 C ATOM 1125 CG GLU A 73 8.406 12.751 3.672 1.00 0.00 C ATOM 1126 CD GLU A 73 9.119 13.357 2.480 1.00 0.00 C ATOM 1127 OE1 GLU A 73 8.724 13.049 1.334 1.00 0.00 O ATOM 1128 OE2 GLU A 73 10.052 14.162 2.682 1.00 0.00 O ATOM 0 H GLU A 73 7.211 10.588 3.706 1.00 0.00 H new ATOM 0 HA GLU A 73 6.215 12.264 5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.587 13.046 2.605 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.787 14.096 3.993 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.845 13.130 4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.546 11.670 3.673 1.00 0.00 H new ATOM 1135 N ARG A 74 4.197 12.256 2.907 1.00 0.00 N ATOM 1136 CA ARG A 74 2.919 12.692 2.364 1.00 0.00 C ATOM 1137 C ARG A 74 1.780 11.757 2.767 1.00 0.00 C ATOM 1138 O ARG A 74 0.652 12.199 2.981 1.00 0.00 O ATOM 1139 CB ARG A 74 3.036 12.766 0.844 1.00 0.00 C ATOM 1140 CG ARG A 74 3.355 11.425 0.200 1.00 0.00 C ATOM 1141 CD ARG A 74 4.277 11.581 -0.993 1.00 0.00 C ATOM 1142 NE ARG A 74 5.603 12.090 -0.622 1.00 0.00 N ATOM 1143 CZ ARG A 74 6.407 12.725 -1.474 1.00 0.00 C ATOM 1144 NH1 ARG A 74 6.026 12.871 -2.733 1.00 0.00 N ATOM 1145 NH2 ARG A 74 7.588 13.196 -1.078 1.00 0.00 N ATOM 0 H ARG A 74 4.765 11.723 2.249 1.00 0.00 H new ATOM 0 HA ARG A 74 2.681 13.674 2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.101 13.146 0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.814 13.482 0.581 1.00 0.00 H new ATOM 0 HG2 ARG A 74 3.820 10.769 0.936 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.429 10.944 -0.116 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.388 10.617 -1.489 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.820 12.260 -1.713 1.00 0.00 H new ATOM 0 HE ARG A 74 5.925 11.951 0.336 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.127 12.500 -3.040 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.631 13.355 -3.396 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.888 13.073 -0.111 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.193 13.680 -1.742 1.00 0.00 H new ATOM 1159 N PHE A 75 2.082 10.467 2.872 1.00 0.00 N ATOM 1160 CA PHE A 75 1.079 9.467 3.210 1.00 0.00 C ATOM 1161 C PHE A 75 0.648 9.605 4.661 1.00 0.00 C ATOM 1162 O PHE A 75 -0.498 9.341 5.011 1.00 0.00 O ATOM 1163 CB PHE A 75 1.638 8.062 3.000 1.00 0.00 C ATOM 1164 CG PHE A 75 2.108 7.764 1.603 1.00 0.00 C ATOM 1165 CD1 PHE A 75 1.203 7.578 0.574 1.00 0.00 C ATOM 1166 CD2 PHE A 75 3.459 7.642 1.329 1.00 0.00 C ATOM 1167 CE1 PHE A 75 1.638 7.278 -0.701 1.00 0.00 C ATOM 1168 CE2 PHE A 75 3.900 7.349 0.055 1.00 0.00 C ATOM 1169 CZ PHE A 75 2.988 7.165 -0.960 1.00 0.00 C ATOM 0 H PHE A 75 3.018 10.090 2.727 1.00 0.00 H new ATOM 0 HA PHE A 75 0.220 9.626 2.558 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.471 7.913 3.686 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.869 7.338 3.270 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.145 7.668 0.770 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.178 7.778 2.123 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.921 7.132 -1.496 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.958 7.264 -0.146 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.329 6.932 -1.958 1.00 0.00 H new ATOM 1179 N ASP A 76 1.585 10.033 5.490 1.00 0.00 N ATOM 1180 CA ASP A 76 1.396 10.073 6.938 1.00 0.00 C ATOM 1181 C ASP A 76 0.317 11.080 7.330 1.00 0.00 C ATOM 1182 O ASP A 76 -0.338 10.936 8.359 1.00 0.00 O ATOM 1183 CB ASP A 76 2.721 10.422 7.615 1.00 0.00 C ATOM 1184 CG ASP A 76 2.697 10.195 9.111 1.00 0.00 C ATOM 1185 OD1 ASP A 76 2.788 9.026 9.534 1.00 0.00 O ATOM 1186 OD2 ASP A 76 2.612 11.183 9.865 1.00 0.00 O ATOM 0 H ASP A 76 2.500 10.363 5.182 1.00 0.00 H new ATOM 0 HA ASP A 76 1.065 9.089 7.271 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.517 9.822 7.174 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.961 11.466 7.415 1.00 0.00 H new ATOM 1191 N GLY A 77 0.122 12.088 6.489 1.00 0.00 N ATOM 1192 CA GLY A 77 -0.903 13.083 6.746 1.00 0.00 C ATOM 1193 C GLY A 77 -2.235 12.701 6.125 1.00 0.00 C ATOM 1194 O GLY A 77 -3.147 13.523 6.025 1.00 0.00 O ATOM 0 H GLY A 77 0.656 12.235 5.632 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.027 13.206 7.822 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.581 14.046 6.350 1.00 0.00 H new ATOM 1198 N LYS A 78 -2.337 11.452 5.700 1.00 0.00 N ATOM 1199 CA LYS A 78 -3.547 10.933 5.081 1.00 0.00 C ATOM 1200 C LYS A 78 -4.093 9.769 5.900 1.00 0.00 C ATOM 1201 O LYS A 78 -3.705 9.583 7.055 1.00 0.00 O ATOM 1202 CB LYS A 78 -3.244 10.492 3.644 1.00 0.00 C ATOM 1203 CG LYS A 78 -2.909 11.651 2.715 1.00 0.00 C ATOM 1204 CD LYS A 78 -2.317 11.179 1.392 1.00 0.00 C ATOM 1205 CE LYS A 78 -3.179 10.119 0.720 1.00 0.00 C ATOM 1206 NZ LYS A 78 -4.561 10.602 0.440 1.00 0.00 N ATOM 0 H LYS A 78 -1.583 10.769 5.774 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.304 11.717 5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.409 9.792 3.655 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.105 9.955 3.247 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.811 12.230 2.521 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.202 12.318 3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.205 12.031 0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.319 10.776 1.566 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.709 9.811 -0.214 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.228 9.237 1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.964 10.062 -0.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.153 10.470 1.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.532 11.611 0.191 1.00 0.00 H new ATOM 1220 N VAL A 79 -4.995 8.993 5.317 1.00 0.00 N ATOM 1221 CA VAL A 79 -5.558 7.843 6.015 1.00 0.00 C ATOM 1222 C VAL A 79 -4.614 6.658 5.885 1.00 0.00 C ATOM 1223 O VAL A 79 -4.382 6.162 4.784 1.00 0.00 O ATOM 1224 CB VAL A 79 -6.947 7.450 5.470 1.00 0.00 C ATOM 1225 CG1 VAL A 79 -7.572 6.362 6.334 1.00 0.00 C ATOM 1226 CG2 VAL A 79 -7.857 8.665 5.391 1.00 0.00 C ATOM 0 H VAL A 79 -5.351 9.135 4.372 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.680 8.123 7.061 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.821 7.055 4.462 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.551 6.098 5.934 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.929 5.482 6.332 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.683 6.727 7.355 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.831 8.365 5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.978 9.094 6.386 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.416 9.408 4.726 1.00 0.00 H new ATOM 1236 N VAL A 80 -4.071 6.208 7.003 1.00 0.00 N ATOM 1237 CA VAL A 80 -3.026 5.198 6.981 1.00 0.00 C ATOM 1238 C VAL A 80 -3.484 3.885 7.613 1.00 0.00 C ATOM 1239 O VAL A 80 -4.151 3.878 8.652 1.00 0.00 O ATOM 1240 CB VAL A 80 -1.762 5.697 7.714 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -0.667 4.645 7.684 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -1.264 6.998 7.104 1.00 0.00 C ATOM 0 H VAL A 80 -4.335 6.525 7.936 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.794 5.014 5.932 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.029 5.883 8.754 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.213 5.020 8.207 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.021 3.738 8.174 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.406 4.421 6.650 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.373 7.331 7.636 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.021 6.838 6.054 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.041 7.759 7.185 1.00 0.00 H new ATOM 1252 N LEU A 81 -3.126 2.781 6.965 1.00 0.00 N ATOM 1253 CA LEU A 81 -3.343 1.446 7.503 1.00 0.00 C ATOM 1254 C LEU A 81 -2.045 0.646 7.362 1.00 0.00 C ATOM 1255 O LEU A 81 -1.594 0.364 6.250 1.00 0.00 O ATOM 1256 CB LEU A 81 -4.511 0.763 6.763 1.00 0.00 C ATOM 1257 CG LEU A 81 -5.073 -0.522 7.399 1.00 0.00 C ATOM 1258 CD1 LEU A 81 -4.145 -1.708 7.177 1.00 0.00 C ATOM 1259 CD2 LEU A 81 -5.328 -0.317 8.887 1.00 0.00 C ATOM 0 H LEU A 81 -2.676 2.789 6.050 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.611 1.500 8.558 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.325 1.483 6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.182 0.526 5.751 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.021 -0.745 6.909 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.574 -2.597 7.639 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.022 -1.879 6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.174 -1.499 7.625 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.725 -1.236 9.318 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.393 -0.057 9.384 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.049 0.489 9.025 1.00 0.00 H new ATOM 1271 N GLU A 82 -1.435 0.308 8.487 1.00 0.00 N ATOM 1272 CA GLU A 82 -0.150 -0.360 8.488 1.00 0.00 C ATOM 1273 C GLU A 82 -0.287 -1.837 8.836 1.00 0.00 C ATOM 1274 O GLU A 82 -1.007 -2.202 9.766 1.00 0.00 O ATOM 1275 CB GLU A 82 0.781 0.319 9.485 1.00 0.00 C ATOM 1276 CG GLU A 82 1.190 1.724 9.083 1.00 0.00 C ATOM 1277 CD GLU A 82 2.130 2.360 10.082 1.00 0.00 C ATOM 1278 OE1 GLU A 82 1.642 2.988 11.045 1.00 0.00 O ATOM 1279 OE2 GLU A 82 3.360 2.225 9.919 1.00 0.00 O ATOM 0 H GLU A 82 -1.815 0.488 9.416 1.00 0.00 H new ATOM 0 HA GLU A 82 0.267 -0.289 7.483 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.290 0.358 10.458 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.677 -0.290 9.604 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.670 1.694 8.105 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.299 2.344 8.981 1.00 0.00 H new ATOM 1286 N VAL A 83 0.412 -2.670 8.081 1.00 0.00 N ATOM 1287 CA VAL A 83 0.445 -4.107 8.317 1.00 0.00 C ATOM 1288 C VAL A 83 1.856 -4.634 8.071 1.00 0.00 C ATOM 1289 O VAL A 83 2.687 -3.936 7.487 1.00 0.00 O ATOM 1290 CB VAL A 83 -0.543 -4.870 7.400 1.00 0.00 C ATOM 1291 CG1 VAL A 83 -1.985 -4.597 7.801 1.00 0.00 C ATOM 1292 CG2 VAL A 83 -0.312 -4.504 5.940 1.00 0.00 C ATOM 0 H VAL A 83 0.974 -2.369 7.285 1.00 0.00 H new ATOM 0 HA VAL A 83 0.146 -4.275 9.352 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.358 -5.937 7.521 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.656 -5.145 7.140 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.144 -4.920 8.830 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.189 -3.529 7.721 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.016 -5.050 5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.462 -3.433 5.805 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.707 -4.767 5.656 1.00 0.00 H new ATOM 1302 N PRO A 84 2.168 -5.848 8.541 1.00 0.00 N ATOM 1303 CA PRO A 84 3.437 -6.506 8.226 1.00 0.00 C ATOM 1304 C PRO A 84 3.544 -6.809 6.733 1.00 0.00 C ATOM 1305 O PRO A 84 2.528 -6.942 6.050 1.00 0.00 O ATOM 1306 CB PRO A 84 3.392 -7.803 9.041 1.00 0.00 C ATOM 1307 CG PRO A 84 1.949 -8.026 9.335 1.00 0.00 C ATOM 1308 CD PRO A 84 1.324 -6.666 9.427 1.00 0.00 C ATOM 0 HA PRO A 84 4.300 -5.885 8.467 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.813 -8.637 8.479 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.972 -7.712 9.959 1.00 0.00 H new ATOM 0 HG2 PRO A 84 1.479 -8.618 8.550 1.00 0.00 H new ATOM 0 HG3 PRO A 84 1.823 -8.576 10.267 1.00 0.00 H new ATOM 0 HD2 PRO A 84 0.285 -6.677 9.097 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.329 -6.289 10.450 1.00 0.00 H new ATOM 1316 N VAL A 85 4.765 -6.924 6.228 1.00 0.00 N ATOM 1317 CA VAL A 85 4.980 -7.138 4.799 1.00 0.00 C ATOM 1318 C VAL A 85 4.433 -8.500 4.356 1.00 0.00 C ATOM 1319 O VAL A 85 4.081 -8.692 3.193 1.00 0.00 O ATOM 1320 CB VAL A 85 6.481 -7.014 4.431 1.00 0.00 C ATOM 1321 CG1 VAL A 85 7.300 -8.129 5.065 1.00 0.00 C ATOM 1322 CG2 VAL A 85 6.680 -6.991 2.923 1.00 0.00 C ATOM 0 H VAL A 85 5.620 -6.873 6.782 1.00 0.00 H new ATOM 0 HA VAL A 85 4.434 -6.359 4.267 1.00 0.00 H new ATOM 0 HB VAL A 85 6.837 -6.065 4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.348 -8.014 4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.204 -8.079 6.150 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.936 -9.094 4.712 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.743 -6.903 2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.292 -7.913 2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.148 -6.140 2.499 1.00 0.00 H new ATOM 1332 N SER A 86 4.348 -9.433 5.298 1.00 0.00 N ATOM 1333 CA SER A 86 3.821 -10.763 5.027 1.00 0.00 C ATOM 1334 C SER A 86 2.297 -10.743 4.858 1.00 0.00 C ATOM 1335 O SER A 86 1.720 -11.629 4.223 1.00 0.00 O ATOM 1336 CB SER A 86 4.203 -11.709 6.168 1.00 0.00 C ATOM 1337 OG SER A 86 5.602 -11.685 6.406 1.00 0.00 O ATOM 0 H SER A 86 4.641 -9.289 6.264 1.00 0.00 H new ATOM 0 HA SER A 86 4.256 -11.114 4.092 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.672 -11.422 7.076 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.890 -12.724 5.923 1.00 0.00 H new ATOM 0 HG SER A 86 5.819 -12.296 7.140 1.00 0.00 H new ATOM 1343 N ALA A 87 1.656 -9.717 5.413 1.00 0.00 N ATOM 1344 CA ALA A 87 0.195 -9.654 5.461 1.00 0.00 C ATOM 1345 C ALA A 87 -0.450 -9.587 4.070 1.00 0.00 C ATOM 1346 O ALA A 87 -1.279 -10.436 3.745 1.00 0.00 O ATOM 1347 CB ALA A 87 -0.268 -8.489 6.327 1.00 0.00 C ATOM 0 H ALA A 87 2.125 -8.916 5.837 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.140 -10.588 5.913 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.357 -8.462 6.348 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.112 -8.616 7.341 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.110 -7.555 5.912 1.00 0.00 H new ATOM 1353 N PRO A 88 -0.094 -8.604 3.212 1.00 0.00 N ATOM 1354 CA PRO A 88 -0.742 -8.430 1.905 1.00 0.00 C ATOM 1355 C PRO A 88 -0.363 -9.508 0.895 1.00 0.00 C ATOM 1356 O PRO A 88 -0.717 -9.422 -0.279 1.00 0.00 O ATOM 1357 CB PRO A 88 -0.249 -7.058 1.421 1.00 0.00 C ATOM 1358 CG PRO A 88 0.430 -6.441 2.595 1.00 0.00 C ATOM 1359 CD PRO A 88 0.939 -7.583 3.421 1.00 0.00 C ATOM 0 HA PRO A 88 -1.825 -8.503 1.999 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.438 -7.162 0.581 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.080 -6.441 1.079 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.247 -5.793 2.278 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -0.263 -5.823 3.167 1.00 0.00 H new ATOM 0 HD2 PRO A 88 1.919 -7.922 3.086 1.00 0.00 H new ATOM 0 HD3 PRO A 88 1.037 -7.313 4.472 1.00 0.00 H new ATOM 1367 N ILE A 89 0.357 -10.519 1.346 1.00 0.00 N ATOM 1368 CA ILE A 89 0.687 -11.643 0.492 1.00 0.00 C ATOM 1369 C ILE A 89 -0.423 -12.686 0.564 1.00 0.00 C ATOM 1370 O ILE A 89 -0.953 -13.124 -0.459 1.00 0.00 O ATOM 1371 CB ILE A 89 2.038 -12.274 0.889 1.00 0.00 C ATOM 1372 CG1 ILE A 89 3.157 -11.238 0.753 1.00 0.00 C ATOM 1373 CG2 ILE A 89 2.330 -13.501 0.033 1.00 0.00 C ATOM 1374 CD1 ILE A 89 4.522 -11.744 1.168 1.00 0.00 C ATOM 0 H ILE A 89 0.723 -10.584 2.296 1.00 0.00 H new ATOM 0 HA ILE A 89 0.779 -11.279 -0.531 1.00 0.00 H new ATOM 0 HB ILE A 89 1.984 -12.596 1.929 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.205 -10.905 -0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.906 -10.366 1.357 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.287 -13.931 0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.541 -14.239 0.174 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.371 -13.211 -1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.258 -10.950 1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.494 -12.050 2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.798 -12.597 0.548 1.00 0.00 H new ATOM 1386 N LYS A 90 -0.780 -13.072 1.780 1.00 0.00 N ATOM 1387 CA LYS A 90 -1.835 -14.055 1.991 1.00 0.00 C ATOM 1388 C LYS A 90 -3.175 -13.392 2.301 1.00 0.00 C ATOM 1389 O LYS A 90 -4.234 -13.921 1.960 1.00 0.00 O ATOM 1390 CB LYS A 90 -1.456 -15.009 3.123 1.00 0.00 C ATOM 1391 CG LYS A 90 -0.280 -15.916 2.792 1.00 0.00 C ATOM 1392 CD LYS A 90 0.000 -16.894 3.921 1.00 0.00 C ATOM 1393 CE LYS A 90 -1.215 -17.754 4.222 1.00 0.00 C ATOM 1394 NZ LYS A 90 -0.969 -18.694 5.344 1.00 0.00 N ATOM 0 H LYS A 90 -0.355 -12.720 2.637 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.944 -14.617 1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.215 -14.426 4.012 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.320 -15.625 3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.490 -16.467 1.875 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.607 -15.311 2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.842 -17.532 3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.290 -16.345 4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.061 -17.112 4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.489 -18.318 3.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.824 -19.261 5.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.178 -19.324 5.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.733 -18.156 6.202 1.00 0.00 H new ATOM 1408 N ASP A 91 -3.127 -12.230 2.932 1.00 0.00 N ATOM 1409 CA ASP A 91 -4.330 -11.590 3.445 1.00 0.00 C ATOM 1410 C ASP A 91 -4.513 -10.208 2.832 1.00 0.00 C ATOM 1411 O ASP A 91 -5.033 -9.300 3.479 1.00 0.00 O ATOM 1412 CB ASP A 91 -4.245 -11.464 4.971 1.00 0.00 C ATOM 1413 CG ASP A 91 -4.084 -12.802 5.669 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -5.108 -13.447 5.975 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -2.935 -13.211 5.927 1.00 0.00 O ATOM 0 H ASP A 91 -2.267 -11.709 3.102 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.186 -12.208 3.175 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.404 -10.822 5.231 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.146 -10.974 5.340 1.00 0.00 H new ATOM 1420 N ALA A 92 -4.115 -10.069 1.572 1.00 0.00 N ATOM 1421 CA ALA A 92 -4.180 -8.788 0.868 1.00 0.00 C ATOM 1422 C ALA A 92 -5.575 -8.180 0.927 1.00 0.00 C ATOM 1423 O ALA A 92 -5.736 -6.996 1.219 1.00 0.00 O ATOM 1424 CB ALA A 92 -3.757 -8.972 -0.579 1.00 0.00 C ATOM 0 H ALA A 92 -3.740 -10.834 1.011 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.497 -8.100 1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.808 -8.015 -1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.735 -9.350 -0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.424 -9.684 -1.065 1.00 0.00 H new ATOM 1430 N GLU A 93 -6.577 -9.003 0.670 1.00 0.00 N ATOM 1431 CA GLU A 93 -7.956 -8.544 0.626 1.00 0.00 C ATOM 1432 C GLU A 93 -8.440 -8.107 2.008 1.00 0.00 C ATOM 1433 O GLU A 93 -9.239 -7.178 2.130 1.00 0.00 O ATOM 1434 CB GLU A 93 -8.841 -9.648 0.057 1.00 0.00 C ATOM 1435 CG GLU A 93 -8.425 -10.057 -1.344 1.00 0.00 C ATOM 1436 CD GLU A 93 -9.158 -11.276 -1.855 1.00 0.00 C ATOM 1437 OE1 GLU A 93 -10.283 -11.131 -2.363 1.00 0.00 O ATOM 1438 OE2 GLU A 93 -8.595 -12.387 -1.779 1.00 0.00 O ATOM 0 H GLU A 93 -6.460 -10.000 0.487 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.015 -7.671 -0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.801 -10.517 0.714 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -9.877 -9.308 0.041 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.601 -9.224 -2.025 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.353 -10.256 -1.354 1.00 0.00 H new ATOM 1445 N LYS A 94 -7.928 -8.755 3.049 1.00 0.00 N ATOM 1446 CA LYS A 94 -8.288 -8.402 4.417 1.00 0.00 C ATOM 1447 C LYS A 94 -7.677 -7.056 4.785 1.00 0.00 C ATOM 1448 O LYS A 94 -8.304 -6.235 5.453 1.00 0.00 O ATOM 1449 CB LYS A 94 -7.810 -9.468 5.401 1.00 0.00 C ATOM 1450 CG LYS A 94 -8.413 -10.842 5.164 1.00 0.00 C ATOM 1451 CD LYS A 94 -7.825 -11.861 6.124 1.00 0.00 C ATOM 1452 CE LYS A 94 -8.337 -13.265 5.854 1.00 0.00 C ATOM 1453 NZ LYS A 94 -7.551 -14.280 6.605 1.00 0.00 N ATOM 0 H LYS A 94 -7.264 -9.526 2.972 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.375 -8.338 4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.724 -9.543 5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.051 -9.147 6.414 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.494 -10.797 5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.227 -11.154 4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.738 -11.850 6.042 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.070 -11.577 7.147 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.387 -13.332 6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.281 -13.476 4.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.745 -15.225 6.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.536 -14.070 6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.821 -14.255 7.609 1.00 0.00 H new ATOM 1467 N VAL A 95 -6.447 -6.841 4.333 1.00 0.00 N ATOM 1468 CA VAL A 95 -5.755 -5.576 4.544 1.00 0.00 C ATOM 1469 C VAL A 95 -6.539 -4.432 3.907 1.00 0.00 C ATOM 1470 O VAL A 95 -6.693 -3.363 4.500 1.00 0.00 O ATOM 1471 CB VAL A 95 -4.329 -5.615 3.957 1.00 0.00 C ATOM 1472 CG1 VAL A 95 -3.612 -4.296 4.184 1.00 0.00 C ATOM 1473 CG2 VAL A 95 -3.532 -6.765 4.553 1.00 0.00 C ATOM 0 H VAL A 95 -5.905 -7.532 3.814 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.682 -5.412 5.619 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.413 -5.776 2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.609 -4.350 3.761 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.167 -3.492 3.701 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.544 -4.098 5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.530 -6.773 4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.464 -6.639 5.634 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.030 -7.708 4.328 1.00 0.00 H new ATOM 1483 N ILE A 96 -7.048 -4.677 2.707 1.00 0.00 N ATOM 1484 CA ILE A 96 -7.872 -3.700 2.009 1.00 0.00 C ATOM 1485 C ILE A 96 -9.130 -3.384 2.817 1.00 0.00 C ATOM 1486 O ILE A 96 -9.484 -2.220 3.001 1.00 0.00 O ATOM 1487 CB ILE A 96 -8.273 -4.209 0.609 1.00 0.00 C ATOM 1488 CG1 ILE A 96 -7.022 -4.490 -0.223 1.00 0.00 C ATOM 1489 CG2 ILE A 96 -9.171 -3.199 -0.097 1.00 0.00 C ATOM 1490 CD1 ILE A 96 -7.319 -5.115 -1.565 1.00 0.00 C ATOM 0 H ILE A 96 -6.904 -5.547 2.195 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.280 -2.792 1.894 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.834 -5.136 0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.481 -3.557 -0.378 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.363 -5.151 0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.441 -3.579 -1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -10.075 -3.042 0.492 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -8.640 -2.253 -0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.386 -5.287 -2.101 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.833 -6.065 -1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.953 -4.445 -2.146 1.00 0.00 H new ATOM 1502 N ASN A 97 -9.785 -4.426 3.321 1.00 0.00 N ATOM 1503 CA ASN A 97 -10.997 -4.256 4.121 1.00 0.00 C ATOM 1504 C ASN A 97 -10.703 -3.506 5.411 1.00 0.00 C ATOM 1505 O ASN A 97 -11.540 -2.752 5.897 1.00 0.00 O ATOM 1506 CB ASN A 97 -11.641 -5.605 4.441 1.00 0.00 C ATOM 1507 CG ASN A 97 -12.544 -6.097 3.327 1.00 0.00 C ATOM 1508 OD1 ASN A 97 -13.739 -5.799 3.305 1.00 0.00 O ATOM 1509 ND2 ASN A 97 -11.985 -6.852 2.398 1.00 0.00 N ATOM 0 H ASN A 97 -9.499 -5.396 3.191 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.696 -3.668 3.527 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.860 -6.343 4.623 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.219 -5.519 5.361 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.547 -7.211 1.626 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -10.991 -7.076 2.453 1.00 0.00 H new ATOM 1516 N ALA A 98 -9.514 -3.714 5.960 1.00 0.00 N ATOM 1517 CA ALA A 98 -9.099 -3.007 7.165 1.00 0.00 C ATOM 1518 C ALA A 98 -9.025 -1.508 6.899 1.00 0.00 C ATOM 1519 O ALA A 98 -9.475 -0.699 7.708 1.00 0.00 O ATOM 1520 CB ALA A 98 -7.756 -3.528 7.656 1.00 0.00 C ATOM 0 H ALA A 98 -8.821 -4.365 5.591 1.00 0.00 H new ATOM 0 HA ALA A 98 -9.840 -3.186 7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.463 -2.988 8.556 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.839 -4.591 7.881 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.003 -3.379 6.882 1.00 0.00 H new ATOM 1526 N ALA A 99 -8.474 -1.148 5.747 1.00 0.00 N ATOM 1527 CA ALA A 99 -8.386 0.248 5.343 1.00 0.00 C ATOM 1528 C ALA A 99 -9.774 0.808 5.038 1.00 0.00 C ATOM 1529 O ALA A 99 -10.088 1.951 5.376 1.00 0.00 O ATOM 1530 CB ALA A 99 -7.474 0.391 4.135 1.00 0.00 C ATOM 0 H ALA A 99 -8.080 -1.806 5.075 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.961 0.821 6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.418 1.440 3.844 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.477 0.030 4.387 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.873 -0.194 3.307 1.00 0.00 H new ATOM 1536 N LEU A 100 -10.606 -0.014 4.407 1.00 0.00 N ATOM 1537 CA LEU A 100 -11.978 0.369 4.096 1.00 0.00 C ATOM 1538 C LEU A 100 -12.783 0.594 5.372 1.00 0.00 C ATOM 1539 O LEU A 100 -13.634 1.478 5.426 1.00 0.00 O ATOM 1540 CB LEU A 100 -12.657 -0.698 3.233 1.00 0.00 C ATOM 1541 CG LEU A 100 -12.068 -0.883 1.832 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -12.793 -1.998 1.096 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -12.147 0.416 1.041 1.00 0.00 C ATOM 0 H LEU A 100 -10.352 -0.953 4.100 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.943 1.304 3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.607 -1.652 3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.712 -0.444 3.134 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.018 -1.159 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -12.363 -2.117 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.687 -2.930 1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -13.850 -1.748 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.723 0.264 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -13.189 0.723 0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.585 1.193 1.560 1.00 0.00 H new ATOM 1555 N ALA A 101 -12.495 -0.192 6.402 1.00 0.00 N ATOM 1556 CA ALA A 101 -13.206 -0.091 7.673 1.00 0.00 C ATOM 1557 C ALA A 101 -12.950 1.252 8.349 1.00 0.00 C ATOM 1558 O ALA A 101 -13.751 1.706 9.162 1.00 0.00 O ATOM 1559 CB ALA A 101 -12.801 -1.226 8.600 1.00 0.00 C ATOM 0 H ALA A 101 -11.771 -0.910 6.383 1.00 0.00 H new ATOM 0 HA ALA A 101 -14.273 -0.166 7.462 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.340 -1.136 9.543 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -13.043 -2.181 8.133 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -11.729 -1.176 8.789 1.00 0.00 H new ATOM 1565 N LEU A 102 -11.838 1.886 8.006 1.00 0.00 N ATOM 1566 CA LEU A 102 -11.478 3.163 8.603 1.00 0.00 C ATOM 1567 C LEU A 102 -12.284 4.302 7.983 1.00 0.00 C ATOM 1568 O LEU A 102 -12.806 5.163 8.689 1.00 0.00 O ATOM 1569 CB LEU A 102 -9.982 3.430 8.427 1.00 0.00 C ATOM 1570 CG LEU A 102 -9.055 2.360 9.005 1.00 0.00 C ATOM 1571 CD1 LEU A 102 -7.600 2.739 8.776 1.00 0.00 C ATOM 1572 CD2 LEU A 102 -9.330 2.157 10.489 1.00 0.00 C ATOM 0 H LEU A 102 -11.170 1.537 7.318 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.709 3.114 9.667 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.771 3.534 7.363 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.743 4.385 8.894 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.251 1.419 8.491 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.953 1.967 9.193 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.412 2.831 7.706 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.391 3.691 9.264 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.660 1.392 10.882 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.163 3.093 11.021 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.364 1.840 10.627 1.00 0.00 H new ATOM 1584 N ILE A 103 -12.388 4.297 6.661 1.00 0.00 N ATOM 1585 CA ILE A 103 -13.047 5.387 5.947 1.00 0.00 C ATOM 1586 C ILE A 103 -14.525 5.109 5.694 1.00 0.00 C ATOM 1587 O ILE A 103 -15.362 6.006 5.804 1.00 0.00 O ATOM 1588 CB ILE A 103 -12.363 5.680 4.594 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -12.236 4.399 3.762 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -11.001 6.314 4.822 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -11.759 4.634 2.346 1.00 0.00 C ATOM 0 H ILE A 103 -12.027 3.555 6.062 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.959 6.257 6.598 1.00 0.00 H new ATOM 0 HB ILE A 103 -12.982 6.382 4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.544 3.721 4.261 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.205 3.900 3.731 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.528 6.516 3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.122 7.248 5.371 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.375 5.633 5.398 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -11.694 3.681 1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -12.462 5.286 1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -10.776 5.104 2.367 1.00 0.00 H new ATOM 1603 N ASP A 104 -14.851 3.872 5.357 1.00 0.00 N ATOM 1604 CA ASP A 104 -16.202 3.539 4.930 1.00 0.00 C ATOM 1605 C ASP A 104 -16.867 2.574 5.905 1.00 0.00 C ATOM 1606 O ASP A 104 -18.087 2.419 5.898 1.00 0.00 O ATOM 1607 CB ASP A 104 -16.165 2.935 3.525 1.00 0.00 C ATOM 1608 CG ASP A 104 -17.521 2.942 2.855 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -18.127 4.030 2.752 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -17.982 1.870 2.417 1.00 0.00 O ATOM 0 H ASP A 104 -14.203 3.084 5.370 1.00 0.00 H new ATOM 0 HA ASP A 104 -16.793 4.454 4.913 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -15.458 3.493 2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -15.797 1.910 3.583 1.00 0.00 H new ATOM 1615 N GLU A 105 -16.047 1.923 6.734 1.00 0.00 N ATOM 1616 CA GLU A 105 -16.538 0.993 7.756 1.00 0.00 C ATOM 1617 C GLU A 105 -17.156 -0.240 7.085 1.00 0.00 C ATOM 1618 O GLU A 105 -17.956 -0.967 7.675 1.00 0.00 O ATOM 1619 CB GLU A 105 -17.545 1.710 8.673 1.00 0.00 C ATOM 1620 CG GLU A 105 -17.925 0.943 9.929 1.00 0.00 C ATOM 1621 CD GLU A 105 -18.781 1.770 10.866 1.00 0.00 C ATOM 1622 OE1 GLU A 105 -19.883 2.190 10.459 1.00 0.00 O ATOM 1623 OE2 GLU A 105 -18.345 2.025 12.007 1.00 0.00 O ATOM 0 H GLU A 105 -15.032 2.024 6.717 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.708 0.653 8.375 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -17.126 2.673 8.966 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -18.451 1.916 8.103 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -18.464 0.037 9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -17.020 0.628 10.449 1.00 0.00 H new ATOM 1630 N LYS A 106 -16.738 -0.477 5.849 1.00 0.00 N ATOM 1631 CA LYS A 106 -17.247 -1.579 5.046 1.00 0.00 C ATOM 1632 C LYS A 106 -16.448 -2.848 5.320 1.00 0.00 C ATOM 1633 O LYS A 106 -15.217 -2.825 5.136 1.00 0.00 O ATOM 1634 CB LYS A 106 -17.174 -1.210 3.559 1.00 0.00 C ATOM 1635 CG LYS A 106 -17.689 -2.279 2.601 1.00 0.00 C ATOM 1636 CD LYS A 106 -19.202 -2.457 2.681 1.00 0.00 C ATOM 1637 CE LYS A 106 -19.613 -3.396 3.804 1.00 0.00 C ATOM 1638 NZ LYS A 106 -19.031 -4.754 3.628 1.00 0.00 N ATOM 1639 OXT LYS A 106 -17.058 -3.866 5.707 1.00 0.00 O ATOM 0 H LYS A 106 -16.036 0.091 5.375 1.00 0.00 H new ATOM 0 HA LYS A 106 -18.287 -1.766 5.315 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -17.745 -0.295 3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -16.137 -0.987 3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -17.411 -2.012 1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -17.203 -3.228 2.826 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -19.673 -1.485 2.832 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -19.571 -2.846 1.732 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -19.290 -2.983 4.760 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -20.700 -3.468 3.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -19.743 -5.471 3.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -18.737 -4.880 2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -18.205 -4.861 4.251 1.00 0.00 H new TER 1653 LYS A 106