USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 532 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 18 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.0307 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.014) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.276 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc=-0.00384 X(o=-0.0038,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.00359) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.28) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -143:sc= 1.01 (180deg=0.0746) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.138 -12.833 -3.823 1.00 0.00 N ATOM 2 CA ALA A 1 -13.325 -12.596 -2.370 1.00 0.00 C ATOM 3 C ALA A 1 -13.627 -13.905 -1.626 1.00 0.00 C ATOM 4 O ALA A 1 -14.171 -14.846 -2.208 1.00 0.00 O ATOM 5 CB ALA A 1 -14.417 -11.540 -2.115 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.142 -12.674 -4.075 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.401 -13.813 -4.052 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.740 -12.178 -4.362 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.388 -12.204 -1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.532 -11.387 -1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.131 -10.600 -2.587 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.362 -11.885 -2.536 1.00 0.00 H new ATOM 13 N GLY A 2 -13.260 -13.978 -0.338 1.00 0.00 N ATOM 14 CA GLY A 2 -13.489 -15.131 0.550 1.00 0.00 C ATOM 15 C GLY A 2 -12.285 -15.442 1.445 1.00 0.00 C ATOM 16 O GLY A 2 -12.361 -15.282 2.666 1.00 0.00 O ATOM 0 H GLY A 2 -12.779 -13.211 0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.359 -14.934 1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.723 -16.008 -0.054 1.00 0.00 H new ATOM 20 N HIS A 3 -11.167 -15.863 0.837 1.00 0.00 N ATOM 21 CA HIS A 3 -9.913 -16.250 1.519 1.00 0.00 C ATOM 22 C HIS A 3 -8.672 -15.517 0.967 1.00 0.00 C ATOM 23 O HIS A 3 -7.574 -16.072 0.906 1.00 0.00 O ATOM 24 CB HIS A 3 -9.790 -17.789 1.514 1.00 0.00 C ATOM 25 CG HIS A 3 -8.823 -18.344 2.538 1.00 0.00 C ATOM 26 ND1 HIS A 3 -7.946 -19.398 2.335 1.00 0.00 N ATOM 27 CD2 HIS A 3 -8.692 -17.929 3.836 1.00 0.00 C ATOM 28 CE1 HIS A 3 -7.287 -19.610 3.494 1.00 0.00 C ATOM 29 NE2 HIS A 3 -7.720 -18.725 4.418 1.00 0.00 N ATOM 0 H HIS A 3 -11.103 -15.948 -0.177 1.00 0.00 H new ATOM 0 HA HIS A 3 -9.958 -15.921 2.557 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -10.775 -18.220 1.692 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -9.475 -18.113 0.522 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -9.242 -17.132 4.315 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.534 -20.367 3.657 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -7.388 -18.655 5.380 1.00 0.00 H new ATOM 38 N MET A 4 -8.855 -14.261 0.548 1.00 0.00 N ATOM 39 CA MET A 4 -7.807 -13.371 0.028 1.00 0.00 C ATOM 40 C MET A 4 -7.384 -12.346 1.096 1.00 0.00 C ATOM 41 O MET A 4 -8.231 -11.791 1.801 1.00 0.00 O ATOM 42 CB MET A 4 -8.339 -12.662 -1.230 1.00 0.00 C ATOM 43 CG MET A 4 -7.229 -12.202 -2.185 1.00 0.00 C ATOM 44 SD MET A 4 -6.863 -13.398 -3.503 1.00 0.00 S ATOM 45 CE MET A 4 -5.933 -12.337 -4.643 1.00 0.00 C ATOM 0 H MET A 4 -9.773 -13.817 0.562 1.00 0.00 H new ATOM 0 HA MET A 4 -6.925 -13.957 -0.231 1.00 0.00 H new ATOM 0 HB2 MET A 4 -9.010 -13.337 -1.762 1.00 0.00 H new ATOM 0 HB3 MET A 4 -8.930 -11.797 -0.928 1.00 0.00 H new ATOM 0 HG2 MET A 4 -7.520 -11.254 -2.637 1.00 0.00 H new ATOM 0 HG3 MET A 4 -6.321 -12.017 -1.611 1.00 0.00 H new ATOM 0 HE1 MET A 4 -5.629 -12.917 -5.514 1.00 0.00 H new ATOM 0 HE2 MET A 4 -6.562 -11.506 -4.962 1.00 0.00 H new ATOM 0 HE3 MET A 4 -5.048 -11.949 -4.139 1.00 0.00 H new ATOM 55 N LYS A 5 -6.079 -12.070 1.194 1.00 0.00 N ATOM 56 CA LYS A 5 -5.461 -11.110 2.127 1.00 0.00 C ATOM 57 C LYS A 5 -4.690 -10.050 1.333 1.00 0.00 C ATOM 58 O LYS A 5 -3.517 -10.231 1.004 1.00 0.00 O ATOM 59 CB LYS A 5 -4.550 -11.854 3.124 1.00 0.00 C ATOM 60 CG LYS A 5 -5.254 -12.836 4.084 1.00 0.00 C ATOM 61 CD LYS A 5 -5.512 -12.266 5.494 1.00 0.00 C ATOM 62 CE LYS A 5 -5.496 -13.388 6.548 1.00 0.00 C ATOM 63 NZ LYS A 5 -6.853 -13.829 6.968 1.00 0.00 N ATOM 0 H LYS A 5 -5.389 -12.529 0.599 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.234 -10.604 2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.800 -12.406 2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.017 -11.113 3.721 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.206 -13.136 3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.647 -13.737 4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.752 -11.523 5.736 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.475 -11.755 5.514 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.953 -14.244 6.147 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.947 -13.044 7.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.768 -14.585 7.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.368 -13.024 7.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.373 -14.187 6.142 1.00 0.00 H new ATOM 77 N GLU A 6 -5.366 -8.955 0.992 1.00 0.00 N ATOM 78 CA GLU A 6 -4.813 -7.810 0.254 1.00 0.00 C ATOM 79 C GLU A 6 -5.066 -6.472 0.973 1.00 0.00 C ATOM 80 O GLU A 6 -5.893 -6.368 1.884 1.00 0.00 O ATOM 81 CB GLU A 6 -5.354 -7.774 -1.191 1.00 0.00 C ATOM 82 CG GLU A 6 -6.889 -7.834 -1.280 1.00 0.00 C ATOM 83 CD GLU A 6 -7.419 -7.320 -2.635 1.00 0.00 C ATOM 84 OE1 GLU A 6 -6.970 -7.806 -3.701 1.00 0.00 O ATOM 85 OE2 GLU A 6 -8.315 -6.441 -2.639 1.00 0.00 O ATOM 0 H GLU A 6 -6.350 -8.831 1.228 1.00 0.00 H new ATOM 0 HA GLU A 6 -3.732 -7.948 0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.006 -6.862 -1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.934 -8.612 -1.748 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.219 -8.862 -1.130 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.321 -7.240 -0.475 1.00 0.00 H new ATOM 92 N PHE A 7 -4.348 -5.435 0.544 1.00 0.00 N ATOM 93 CA PHE A 7 -4.497 -4.061 1.016 1.00 0.00 C ATOM 94 C PHE A 7 -5.622 -3.320 0.271 1.00 0.00 C ATOM 95 O PHE A 7 -5.562 -3.139 -0.948 1.00 0.00 O ATOM 96 CB PHE A 7 -3.144 -3.349 0.885 1.00 0.00 C ATOM 97 CG PHE A 7 -2.249 -3.579 2.087 1.00 0.00 C ATOM 98 CD1 PHE A 7 -2.610 -3.019 3.326 1.00 0.00 C ATOM 99 CD2 PHE A 7 -1.077 -4.354 1.988 1.00 0.00 C ATOM 100 CE1 PHE A 7 -1.798 -3.224 4.453 1.00 0.00 C ATOM 101 CE2 PHE A 7 -0.278 -4.571 3.127 1.00 0.00 C ATOM 102 CZ PHE A 7 -0.629 -3.981 4.354 1.00 0.00 C ATOM 0 H PHE A 7 -3.622 -5.533 -0.166 1.00 0.00 H new ATOM 0 HA PHE A 7 -4.794 -4.066 2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.637 -3.701 -0.014 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.311 -2.279 0.759 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.512 -2.431 3.410 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.791 -4.782 1.038 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.079 -2.793 5.403 1.00 0.00 H new ATOM 0 HE2 PHE A 7 0.604 -5.190 3.058 1.00 0.00 H new ATOM 0 HZ PHE A 7 0.005 -4.113 5.219 1.00 0.00 H new ATOM 112 N ARG A 8 -6.658 -2.901 1.009 1.00 0.00 N ATOM 113 CA ARG A 8 -7.808 -2.124 0.507 1.00 0.00 C ATOM 114 C ARG A 8 -7.586 -0.607 0.604 1.00 0.00 C ATOM 115 O ARG A 8 -6.787 -0.169 1.431 1.00 0.00 O ATOM 116 CB ARG A 8 -9.071 -2.535 1.292 1.00 0.00 C ATOM 117 CG ARG A 8 -9.862 -3.581 0.495 1.00 0.00 C ATOM 118 CD ARG A 8 -11.134 -4.011 1.232 1.00 0.00 C ATOM 119 NE ARG A 8 -10.862 -5.063 2.231 1.00 0.00 N ATOM 120 CZ ARG A 8 -11.750 -5.666 3.000 1.00 0.00 C ATOM 121 NH1 ARG A 8 -13.003 -5.307 3.018 1.00 0.00 N ATOM 122 NH2 ARG A 8 -11.395 -6.656 3.768 1.00 0.00 N ATOM 0 H ARG A 8 -6.725 -3.099 2.007 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.930 -2.350 -0.552 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.790 -2.941 2.264 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.694 -1.661 1.480 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.127 -3.172 -0.480 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.233 -4.453 0.315 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.577 -3.146 1.727 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.866 -4.375 0.511 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.890 -5.353 2.338 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.322 -4.540 2.427 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.664 -5.793 3.624 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.425 -6.971 3.778 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.087 -7.116 4.359 1.00 0.00 H new ATOM 136 N PRO A 9 -8.307 0.214 -0.186 1.00 0.00 N ATOM 137 CA PRO A 9 -8.205 1.668 -0.116 1.00 0.00 C ATOM 138 C PRO A 9 -8.801 2.217 1.188 1.00 0.00 C ATOM 139 O PRO A 9 -9.820 1.725 1.677 1.00 0.00 O ATOM 140 CB PRO A 9 -8.944 2.189 -1.350 1.00 0.00 C ATOM 141 CG PRO A 9 -9.994 1.111 -1.608 1.00 0.00 C ATOM 142 CD PRO A 9 -9.279 -0.175 -1.198 1.00 0.00 C ATOM 0 HA PRO A 9 -7.166 1.997 -0.110 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.402 3.161 -1.165 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.273 2.309 -2.200 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.895 1.277 -1.018 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.298 1.087 -2.654 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.985 -0.905 -0.802 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.788 -0.639 -2.054 1.00 0.00 H new ATOM 150 N GLY A 10 -8.149 3.220 1.779 1.00 0.00 N ATOM 151 CA GLY A 10 -8.597 3.859 3.026 1.00 0.00 C ATOM 152 C GLY A 10 -8.150 3.138 4.305 1.00 0.00 C ATOM 153 O GLY A 10 -8.241 3.712 5.392 1.00 0.00 O ATOM 0 H GLY A 10 -7.287 3.618 1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.222 4.882 3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.685 3.918 3.019 1.00 0.00 H new ATOM 157 N ASP A 11 -7.676 1.890 4.200 1.00 0.00 N ATOM 158 CA ASP A 11 -7.175 1.099 5.329 1.00 0.00 C ATOM 159 C ASP A 11 -5.988 1.813 5.995 1.00 0.00 C ATOM 160 O ASP A 11 -5.075 2.288 5.309 1.00 0.00 O ATOM 161 CB ASP A 11 -6.782 -0.320 4.860 1.00 0.00 C ATOM 162 CG ASP A 11 -7.388 -1.436 5.723 1.00 0.00 C ATOM 163 OD1 ASP A 11 -7.473 -1.273 6.961 1.00 0.00 O ATOM 164 OD2 ASP A 11 -7.741 -2.500 5.158 1.00 0.00 O ATOM 0 H ASP A 11 -7.630 1.393 3.310 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.968 1.000 6.070 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.102 -0.455 3.827 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.696 -0.411 4.872 1.00 0.00 H new ATOM 169 N LYS A 12 -6.000 1.912 7.329 1.00 0.00 N ATOM 170 CA LYS A 12 -4.901 2.501 8.107 1.00 0.00 C ATOM 171 C LYS A 12 -3.653 1.619 8.030 1.00 0.00 C ATOM 172 O LYS A 12 -3.616 0.536 8.617 1.00 0.00 O ATOM 173 CB LYS A 12 -5.323 2.755 9.570 1.00 0.00 C ATOM 174 CG LYS A 12 -5.780 4.210 9.808 1.00 0.00 C ATOM 175 CD LYS A 12 -5.323 4.713 11.186 1.00 0.00 C ATOM 176 CE LYS A 12 -5.451 6.239 11.326 1.00 0.00 C ATOM 177 NZ LYS A 12 -6.632 6.646 12.131 1.00 0.00 N ATOM 0 H LYS A 12 -6.776 1.584 7.904 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.656 3.469 7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.133 2.075 9.835 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.487 2.527 10.231 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.374 4.855 9.029 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.866 4.270 9.737 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.917 4.229 11.961 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.286 4.422 11.350 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.547 6.634 11.790 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.521 6.686 10.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.669 7.683 12.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.499 6.295 11.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.555 6.245 13.087 1.00 0.00 H new ATOM 191 N VAL A 13 -2.622 2.081 7.326 1.00 0.00 N ATOM 192 CA VAL A 13 -1.335 1.379 7.169 1.00 0.00 C ATOM 193 C VAL A 13 -0.163 2.230 7.662 1.00 0.00 C ATOM 194 O VAL A 13 -0.268 3.453 7.760 1.00 0.00 O ATOM 195 CB VAL A 13 -1.125 0.900 5.714 1.00 0.00 C ATOM 196 CG1 VAL A 13 -2.281 0.004 5.264 1.00 0.00 C ATOM 197 CG2 VAL A 13 -0.979 2.047 4.696 1.00 0.00 C ATOM 0 H VAL A 13 -2.652 2.974 6.834 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.371 0.490 7.799 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.186 0.347 5.730 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.111 -0.321 4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.340 -0.868 5.915 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.216 0.562 5.318 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.835 1.632 3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.880 2.660 4.707 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.119 2.661 4.961 1.00 0.00 H new ATOM 207 N VAL A 14 0.962 1.591 7.970 1.00 0.00 N ATOM 208 CA VAL A 14 2.220 2.239 8.373 1.00 0.00 C ATOM 209 C VAL A 14 3.231 2.138 7.237 1.00 0.00 C ATOM 210 O VAL A 14 3.451 1.067 6.665 1.00 0.00 O ATOM 211 CB VAL A 14 2.784 1.674 9.695 1.00 0.00 C ATOM 212 CG1 VAL A 14 2.824 0.142 9.740 1.00 0.00 C ATOM 213 CG2 VAL A 14 4.186 2.219 10.019 1.00 0.00 C ATOM 0 H VAL A 14 1.032 0.574 7.947 1.00 0.00 H new ATOM 0 HA VAL A 14 2.011 3.291 8.570 1.00 0.00 H new ATOM 0 HB VAL A 14 2.080 2.018 10.453 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.231 -0.183 10.697 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.815 -0.252 9.622 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.455 -0.229 8.932 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.535 1.790 10.958 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.875 1.950 9.219 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.142 3.304 10.110 1.00 0.00 H new ATOM 223 N LEU A 15 3.840 3.277 6.897 1.00 0.00 N ATOM 224 CA LEU A 15 4.902 3.370 5.902 1.00 0.00 C ATOM 225 C LEU A 15 5.891 4.490 6.276 1.00 0.00 C ATOM 226 O LEU A 15 5.565 5.666 6.103 1.00 0.00 O ATOM 227 CB LEU A 15 4.274 3.558 4.513 1.00 0.00 C ATOM 228 CG LEU A 15 5.277 3.508 3.344 1.00 0.00 C ATOM 229 CD1 LEU A 15 6.321 2.395 3.466 1.00 0.00 C ATOM 230 CD2 LEU A 15 4.522 3.260 2.045 1.00 0.00 C ATOM 0 H LEU A 15 3.601 4.176 7.316 1.00 0.00 H new ATOM 0 HA LEU A 15 5.483 2.448 5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.521 2.785 4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.756 4.517 4.490 1.00 0.00 H new ATOM 0 HG LEU A 15 5.796 4.466 3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.989 2.427 2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.899 2.537 4.379 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.819 1.428 3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.228 3.224 1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.989 2.311 2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.808 4.067 1.879 1.00 0.00 H new ATOM 242 N PRO A 16 7.065 4.179 6.854 1.00 0.00 N ATOM 243 CA PRO A 16 8.069 5.190 7.184 1.00 0.00 C ATOM 244 C PRO A 16 8.753 5.795 5.932 1.00 0.00 C ATOM 245 O PRO A 16 8.692 5.203 4.849 1.00 0.00 O ATOM 246 CB PRO A 16 9.067 4.466 8.101 1.00 0.00 C ATOM 247 CG PRO A 16 8.955 3.000 7.689 1.00 0.00 C ATOM 248 CD PRO A 16 7.490 2.857 7.294 1.00 0.00 C ATOM 0 HA PRO A 16 7.617 6.053 7.672 1.00 0.00 H new ATOM 0 HB2 PRO A 16 10.081 4.843 7.963 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.816 4.605 9.152 1.00 0.00 H new ATOM 0 HG2 PRO A 16 9.620 2.764 6.859 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.218 2.331 8.508 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.370 2.123 6.497 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.890 2.514 8.137 1.00 0.00 H new ATOM 256 N PRO A 17 9.384 6.985 6.049 1.00 0.00 N ATOM 257 CA PRO A 17 9.554 7.774 7.279 1.00 0.00 C ATOM 258 C PRO A 17 8.278 8.542 7.702 1.00 0.00 C ATOM 259 O PRO A 17 8.231 9.074 8.813 1.00 0.00 O ATOM 260 CB PRO A 17 10.702 8.740 6.973 1.00 0.00 C ATOM 261 CG PRO A 17 10.564 8.982 5.473 1.00 0.00 C ATOM 262 CD PRO A 17 10.105 7.621 4.951 1.00 0.00 C ATOM 0 HA PRO A 17 9.765 7.119 8.125 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.611 9.666 7.540 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.670 8.307 7.224 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.838 9.765 5.255 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.509 9.290 5.024 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.462 7.736 4.078 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.957 7.015 4.642 1.00 0.00 H new ATOM 270 N TYR A 18 7.231 8.563 6.864 1.00 0.00 N ATOM 271 CA TYR A 18 5.928 9.187 7.147 1.00 0.00 C ATOM 272 C TYR A 18 5.270 8.629 8.424 1.00 0.00 C ATOM 273 O TYR A 18 4.726 9.379 9.236 1.00 0.00 O ATOM 274 CB TYR A 18 4.990 9.000 5.938 1.00 0.00 C ATOM 275 CG TYR A 18 5.646 9.217 4.583 1.00 0.00 C ATOM 276 CD1 TYR A 18 6.036 10.514 4.203 1.00 0.00 C ATOM 277 CD2 TYR A 18 5.897 8.125 3.721 1.00 0.00 C ATOM 278 CE1 TYR A 18 6.691 10.720 2.975 1.00 0.00 C ATOM 279 CE2 TYR A 18 6.531 8.328 2.478 1.00 0.00 C ATOM 280 CZ TYR A 18 6.948 9.628 2.116 1.00 0.00 C ATOM 281 OH TYR A 18 7.618 9.835 0.951 1.00 0.00 O ATOM 0 H TYR A 18 7.268 8.132 5.940 1.00 0.00 H new ATOM 0 HA TYR A 18 6.104 10.249 7.320 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.577 7.992 5.969 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.152 9.691 6.035 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.833 11.352 4.854 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.601 7.129 4.016 1.00 0.00 H new ATOM 0 HE1 TYR A 18 6.998 11.715 2.688 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.696 7.497 1.809 1.00 0.00 H new ATOM 0 HH TYR A 18 7.715 8.984 0.474 1.00 0.00 H new ATOM 291 N GLY A 19 5.327 7.305 8.600 1.00 0.00 N ATOM 292 CA GLY A 19 4.844 6.561 9.773 1.00 0.00 C ATOM 293 C GLY A 19 3.384 6.109 9.655 1.00 0.00 C ATOM 294 O GLY A 19 2.971 5.173 10.334 1.00 0.00 O ATOM 0 H GLY A 19 5.731 6.690 7.894 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.476 5.685 9.923 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.951 7.187 10.659 1.00 0.00 H new ATOM 298 N VAL A 20 2.578 6.795 8.840 1.00 0.00 N ATOM 299 CA VAL A 20 1.180 6.462 8.529 1.00 0.00 C ATOM 300 C VAL A 20 0.905 6.795 7.062 1.00 0.00 C ATOM 301 O VAL A 20 1.234 7.896 6.619 1.00 0.00 O ATOM 302 CB VAL A 20 0.183 7.229 9.423 1.00 0.00 C ATOM 303 CG1 VAL A 20 -1.265 6.807 9.128 1.00 0.00 C ATOM 304 CG2 VAL A 20 0.432 7.008 10.920 1.00 0.00 C ATOM 0 H VAL A 20 2.894 7.636 8.356 1.00 0.00 H new ATOM 0 HA VAL A 20 1.039 5.398 8.719 1.00 0.00 H new ATOM 0 HB VAL A 20 0.337 8.282 9.187 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.945 7.364 9.773 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.500 7.018 8.085 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.379 5.740 9.317 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.300 7.572 11.498 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.337 5.947 11.152 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.436 7.347 11.176 1.00 0.00 H new ATOM 314 N GLY A 21 0.283 5.876 6.326 1.00 0.00 N ATOM 315 CA GLY A 21 -0.147 6.046 4.937 1.00 0.00 C ATOM 316 C GLY A 21 -1.596 5.594 4.733 1.00 0.00 C ATOM 317 O GLY A 21 -2.237 5.062 5.644 1.00 0.00 O ATOM 0 H GLY A 21 0.055 4.953 6.696 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.049 7.093 4.651 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.509 5.474 4.281 1.00 0.00 H new ATOM 321 N VAL A 22 -2.110 5.802 3.519 1.00 0.00 N ATOM 322 CA VAL A 22 -3.438 5.357 3.085 1.00 0.00 C ATOM 323 C VAL A 22 -3.357 4.848 1.646 1.00 0.00 C ATOM 324 O VAL A 22 -2.949 5.568 0.740 1.00 0.00 O ATOM 325 CB VAL A 22 -4.501 6.470 3.220 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.844 5.992 2.668 1.00 0.00 C ATOM 327 CG2 VAL A 22 -4.724 6.858 4.687 1.00 0.00 C ATOM 0 H VAL A 22 -1.600 6.299 2.789 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.756 4.546 3.740 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.131 7.329 2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.583 6.787 2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.733 5.733 1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.175 5.115 3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.478 7.643 4.745 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.064 5.986 5.246 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.789 7.221 5.114 1.00 0.00 H new ATOM 337 N VAL A 23 -3.726 3.588 1.427 1.00 0.00 N ATOM 338 CA VAL A 23 -3.805 2.979 0.089 1.00 0.00 C ATOM 339 C VAL A 23 -4.887 3.683 -0.752 1.00 0.00 C ATOM 340 O VAL A 23 -5.965 3.994 -0.240 1.00 0.00 O ATOM 341 CB VAL A 23 -4.130 1.482 0.224 1.00 0.00 C ATOM 342 CG1 VAL A 23 -4.146 0.775 -1.138 1.00 0.00 C ATOM 343 CG2 VAL A 23 -3.156 0.739 1.151 1.00 0.00 C ATOM 0 H VAL A 23 -3.983 2.948 2.179 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.845 3.094 -0.414 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.125 1.447 0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.379 -0.280 -0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.902 1.232 -1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.168 0.871 -1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.437 -0.313 1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.143 0.824 0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.196 1.178 2.148 1.00 0.00 H new ATOM 353 N ALA A 24 -4.621 3.905 -2.042 1.00 0.00 N ATOM 354 CA ALA A 24 -5.516 4.568 -2.998 1.00 0.00 C ATOM 355 C ALA A 24 -6.124 3.590 -4.021 1.00 0.00 C ATOM 356 O ALA A 24 -7.335 3.604 -4.254 1.00 0.00 O ATOM 357 CB ALA A 24 -4.734 5.687 -3.703 1.00 0.00 C ATOM 0 H ALA A 24 -3.740 3.616 -2.468 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.360 4.986 -2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.385 6.191 -4.418 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.382 6.406 -2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.880 5.259 -4.228 1.00 0.00 H new ATOM 363 N GLY A 25 -5.295 2.735 -4.628 1.00 0.00 N ATOM 364 CA GLY A 25 -5.713 1.732 -5.612 1.00 0.00 C ATOM 365 C GLY A 25 -4.539 0.987 -6.246 1.00 0.00 C ATOM 366 O GLY A 25 -3.371 1.311 -6.009 1.00 0.00 O ATOM 0 H GLY A 25 -4.292 2.721 -4.444 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.374 1.012 -5.129 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.292 2.220 -6.396 1.00 0.00 H new ATOM 370 N ILE A 26 -4.861 -0.024 -7.055 1.00 0.00 N ATOM 371 CA ILE A 26 -3.895 -0.849 -7.785 1.00 0.00 C ATOM 372 C ILE A 26 -3.504 -0.128 -9.080 1.00 0.00 C ATOM 373 O ILE A 26 -4.272 -0.095 -10.046 1.00 0.00 O ATOM 374 CB ILE A 26 -4.446 -2.270 -8.064 1.00 0.00 C ATOM 375 CG1 ILE A 26 -4.682 -3.098 -6.780 1.00 0.00 C ATOM 376 CG2 ILE A 26 -3.414 -3.028 -8.915 1.00 0.00 C ATOM 377 CD1 ILE A 26 -5.943 -2.734 -5.987 1.00 0.00 C ATOM 0 H ILE A 26 -5.828 -0.300 -7.226 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.006 -0.985 -7.169 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.406 -2.148 -8.566 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.736 -4.152 -7.052 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.816 -2.981 -6.128 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.782 -4.033 -9.124 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.256 -2.497 -9.854 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.471 -3.092 -8.372 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.016 -3.372 -5.106 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.889 -1.691 -5.676 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.822 -2.880 -6.614 1.00 0.00 H new ATOM 389 N ALA A 27 -2.303 0.445 -9.099 1.00 0.00 N ATOM 390 CA ALA A 27 -1.719 1.085 -10.274 1.00 0.00 C ATOM 391 C ALA A 27 -0.714 0.123 -10.929 1.00 0.00 C ATOM 392 O ALA A 27 0.304 -0.233 -10.334 1.00 0.00 O ATOM 393 CB ALA A 27 -1.060 2.402 -9.837 1.00 0.00 C ATOM 0 H ALA A 27 -1.696 0.478 -8.280 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.483 1.316 -11.016 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.618 2.893 -10.704 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.811 3.055 -9.394 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.282 2.193 -9.103 1.00 0.00 H new ATOM 399 N GLN A 28 -0.985 -0.310 -12.162 1.00 0.00 N ATOM 400 CA GLN A 28 -0.063 -1.142 -12.935 1.00 0.00 C ATOM 401 C GLN A 28 1.033 -0.303 -13.623 1.00 0.00 C ATOM 402 O GLN A 28 0.743 0.493 -14.521 1.00 0.00 O ATOM 403 CB GLN A 28 -0.822 -2.028 -13.928 1.00 0.00 C ATOM 404 CG GLN A 28 -1.894 -2.907 -13.260 1.00 0.00 C ATOM 405 CD GLN A 28 -2.059 -4.254 -13.964 1.00 0.00 C ATOM 406 OE1 GLN A 28 -2.728 -4.384 -14.982 1.00 0.00 O ATOM 407 NE2 GLN A 28 -1.469 -5.312 -13.445 1.00 0.00 N ATOM 0 H GLN A 28 -1.852 -0.093 -12.653 1.00 0.00 H new ATOM 0 HA GLN A 28 0.450 -1.802 -12.236 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.296 -1.397 -14.680 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.111 -2.668 -14.451 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.625 -3.075 -12.217 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.847 -2.379 -13.262 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.909 -5.219 -12.598 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.573 -6.224 -13.891 1.00 0.00 H new ATOM 416 N ARG A 29 2.291 -0.466 -13.192 1.00 0.00 N ATOM 417 CA ARG A 29 3.494 0.194 -13.740 1.00 0.00 C ATOM 418 C ARG A 29 4.251 -0.722 -14.707 1.00 0.00 C ATOM 419 O ARG A 29 4.377 -1.924 -14.470 1.00 0.00 O ATOM 420 CB ARG A 29 4.418 0.636 -12.582 1.00 0.00 C ATOM 421 CG ARG A 29 4.432 2.155 -12.362 1.00 0.00 C ATOM 422 CD ARG A 29 5.383 2.872 -13.324 1.00 0.00 C ATOM 423 NE ARG A 29 5.389 4.327 -13.080 1.00 0.00 N ATOM 424 CZ ARG A 29 6.305 5.197 -13.468 1.00 0.00 C ATOM 425 NH1 ARG A 29 7.359 4.835 -14.145 1.00 0.00 N ATOM 426 NH2 ARG A 29 6.178 6.461 -13.183 1.00 0.00 N ATOM 0 H ARG A 29 2.513 -1.090 -12.416 1.00 0.00 H new ATOM 0 HA ARG A 29 3.174 1.070 -14.304 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.097 0.146 -11.663 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.433 0.296 -12.787 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.424 2.548 -12.491 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.728 2.369 -11.335 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.392 2.476 -13.205 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.082 2.674 -14.353 1.00 0.00 H new ATOM 0 HE ARG A 29 4.600 4.703 -12.554 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.495 3.854 -14.391 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.047 5.532 -14.429 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.367 6.786 -12.657 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.889 7.126 -13.486 1.00 0.00 H new ATOM 440 N SER A 30 4.780 -0.135 -15.777 1.00 0.00 N ATOM 441 CA SER A 30 5.585 -0.794 -16.815 1.00 0.00 C ATOM 442 C SER A 30 7.059 -0.890 -16.386 1.00 0.00 C ATOM 443 O SER A 30 7.743 0.133 -16.284 1.00 0.00 O ATOM 444 CB SER A 30 5.480 -0.011 -18.137 1.00 0.00 C ATOM 445 OG SER A 30 4.140 0.374 -18.427 1.00 0.00 O ATOM 0 H SER A 30 4.656 0.861 -15.957 1.00 0.00 H new ATOM 0 HA SER A 30 5.199 -1.803 -16.958 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.108 0.878 -18.082 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.865 -0.624 -18.952 1.00 0.00 H new ATOM 0 HG SER A 30 4.118 0.869 -19.272 1.00 0.00 H new ATOM 451 N VAL A 31 7.561 -2.098 -16.108 1.00 0.00 N ATOM 452 CA VAL A 31 8.958 -2.363 -15.698 1.00 0.00 C ATOM 453 C VAL A 31 9.441 -3.705 -16.255 1.00 0.00 C ATOM 454 O VAL A 31 8.666 -4.650 -16.337 1.00 0.00 O ATOM 455 CB VAL A 31 9.072 -2.307 -14.159 1.00 0.00 C ATOM 456 CG1 VAL A 31 8.323 -3.439 -13.441 1.00 0.00 C ATOM 457 CG2 VAL A 31 10.531 -2.303 -13.689 1.00 0.00 C ATOM 0 H VAL A 31 6.997 -2.946 -16.161 1.00 0.00 H new ATOM 0 HA VAL A 31 9.606 -1.591 -16.113 1.00 0.00 H new ATOM 0 HB VAL A 31 8.595 -1.365 -13.887 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.449 -3.333 -12.364 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.263 -3.388 -13.689 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.725 -4.401 -13.760 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.562 -2.263 -12.600 1.00 0.00 H new ATOM 0 HG22 VAL A 31 11.027 -3.211 -14.033 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.043 -1.432 -14.099 1.00 0.00 H new ATOM 467 N SER A 32 10.712 -3.828 -16.658 1.00 0.00 N ATOM 468 CA SER A 32 11.281 -5.066 -17.240 1.00 0.00 C ATOM 469 C SER A 32 10.495 -5.611 -18.461 1.00 0.00 C ATOM 470 O SER A 32 10.501 -6.809 -18.755 1.00 0.00 O ATOM 471 CB SER A 32 11.425 -6.117 -16.119 1.00 0.00 C ATOM 472 OG SER A 32 12.447 -7.056 -16.413 1.00 0.00 O ATOM 0 H SER A 32 11.387 -3.067 -16.592 1.00 0.00 H new ATOM 0 HA SER A 32 12.262 -4.824 -17.648 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.649 -5.617 -15.177 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.478 -6.639 -15.985 1.00 0.00 H new ATOM 0 HG SER A 32 12.513 -7.706 -15.683 1.00 0.00 H new ATOM 478 N GLY A 33 9.776 -4.733 -19.178 1.00 0.00 N ATOM 479 CA GLY A 33 8.877 -5.090 -20.286 1.00 0.00 C ATOM 480 C GLY A 33 7.555 -5.755 -19.868 1.00 0.00 C ATOM 481 O GLY A 33 6.859 -6.308 -20.724 1.00 0.00 O ATOM 0 H GLY A 33 9.805 -3.729 -18.998 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.648 -4.187 -20.852 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.407 -5.763 -20.960 1.00 0.00 H new ATOM 485 N VAL A 34 7.194 -5.715 -18.579 1.00 0.00 N ATOM 486 CA VAL A 34 5.969 -6.296 -18.005 1.00 0.00 C ATOM 487 C VAL A 34 5.222 -5.300 -17.109 1.00 0.00 C ATOM 488 O VAL A 34 5.807 -4.488 -16.393 1.00 0.00 O ATOM 489 CB VAL A 34 6.286 -7.627 -17.276 1.00 0.00 C ATOM 490 CG1 VAL A 34 7.285 -7.504 -16.117 1.00 0.00 C ATOM 491 CG2 VAL A 34 5.027 -8.319 -16.738 1.00 0.00 C ATOM 0 H VAL A 34 7.772 -5.257 -17.875 1.00 0.00 H new ATOM 0 HA VAL A 34 5.290 -6.525 -18.826 1.00 0.00 H new ATOM 0 HB VAL A 34 6.748 -8.228 -18.059 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.444 -8.485 -15.668 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.233 -7.119 -16.493 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.888 -6.821 -15.366 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.307 -9.246 -16.237 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.525 -7.661 -16.029 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.353 -8.543 -17.565 1.00 0.00 H new ATOM 501 N SER A 35 3.893 -5.331 -17.181 1.00 0.00 N ATOM 502 CA SER A 35 3.000 -4.535 -16.335 1.00 0.00 C ATOM 503 C SER A 35 2.861 -5.245 -14.980 1.00 0.00 C ATOM 504 O SER A 35 2.425 -6.402 -14.921 1.00 0.00 O ATOM 505 CB SER A 35 1.657 -4.380 -17.063 1.00 0.00 C ATOM 506 OG SER A 35 0.578 -4.182 -16.175 1.00 0.00 O ATOM 0 H SER A 35 3.393 -5.923 -17.844 1.00 0.00 H new ATOM 0 HA SER A 35 3.393 -3.536 -16.148 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.716 -3.537 -17.751 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.469 -5.269 -17.665 1.00 0.00 H new ATOM 0 HG SER A 35 -0.253 -4.088 -16.686 1.00 0.00 H new ATOM 512 N ARG A 36 3.251 -4.575 -13.886 1.00 0.00 N ATOM 513 CA ARG A 36 3.130 -5.084 -12.505 1.00 0.00 C ATOM 514 C ARG A 36 2.264 -4.154 -11.673 1.00 0.00 C ATOM 515 O ARG A 36 2.429 -2.937 -11.717 1.00 0.00 O ATOM 516 CB ARG A 36 4.503 -5.270 -11.834 1.00 0.00 C ATOM 517 CG ARG A 36 5.521 -5.965 -12.742 1.00 0.00 C ATOM 518 CD ARG A 36 6.732 -6.504 -11.963 1.00 0.00 C ATOM 519 NE ARG A 36 6.839 -7.970 -12.101 1.00 0.00 N ATOM 520 CZ ARG A 36 7.814 -8.753 -11.677 1.00 0.00 C ATOM 521 NH1 ARG A 36 8.834 -8.291 -11.011 1.00 0.00 N ATOM 522 NH2 ARG A 36 7.778 -10.031 -11.920 1.00 0.00 N ATOM 0 H ARG A 36 3.668 -3.645 -13.933 1.00 0.00 H new ATOM 0 HA ARG A 36 2.657 -6.064 -12.562 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.893 -4.296 -11.539 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.380 -5.853 -10.922 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.034 -6.788 -13.265 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.865 -5.263 -13.502 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.644 -6.033 -12.330 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.638 -6.240 -10.910 1.00 0.00 H new ATOM 0 HE ARG A 36 6.068 -8.433 -12.581 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.897 -7.295 -10.802 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.569 -8.926 -10.699 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.996 -10.430 -12.439 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.532 -10.634 -11.592 1.00 0.00 H new ATOM 536 N ALA A 37 1.342 -4.733 -10.914 1.00 0.00 N ATOM 537 CA ALA A 37 0.450 -4.011 -10.018 1.00 0.00 C ATOM 538 C ALA A 37 1.166 -3.540 -8.740 1.00 0.00 C ATOM 539 O ALA A 37 1.913 -4.293 -8.107 1.00 0.00 O ATOM 540 CB ALA A 37 -0.735 -4.929 -9.714 1.00 0.00 C ATOM 0 H ALA A 37 1.191 -5.742 -10.905 1.00 0.00 H new ATOM 0 HA ALA A 37 0.099 -3.097 -10.497 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.427 -4.420 -9.043 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.248 -5.180 -10.642 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.376 -5.842 -9.240 1.00 0.00 H new ATOM 546 N TYR A 38 0.886 -2.298 -8.347 1.00 0.00 N ATOM 547 CA TYR A 38 1.438 -1.634 -7.175 1.00 0.00 C ATOM 548 C TYR A 38 0.371 -0.811 -6.444 1.00 0.00 C ATOM 549 O TYR A 38 -0.336 -0.012 -7.061 1.00 0.00 O ATOM 550 CB TYR A 38 2.590 -0.727 -7.625 1.00 0.00 C ATOM 551 CG TYR A 38 3.853 -1.467 -8.029 1.00 0.00 C ATOM 552 CD1 TYR A 38 4.696 -1.988 -7.035 1.00 0.00 C ATOM 553 CD2 TYR A 38 4.199 -1.629 -9.383 1.00 0.00 C ATOM 554 CE1 TYR A 38 5.878 -2.670 -7.377 1.00 0.00 C ATOM 555 CE2 TYR A 38 5.397 -2.278 -9.736 1.00 0.00 C ATOM 556 CZ TYR A 38 6.231 -2.820 -8.734 1.00 0.00 C ATOM 557 OH TYR A 38 7.361 -3.495 -9.084 1.00 0.00 O ATOM 0 H TYR A 38 0.238 -1.703 -8.863 1.00 0.00 H new ATOM 0 HA TYR A 38 1.802 -2.388 -6.477 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.253 -0.123 -8.467 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.831 -0.038 -6.815 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.434 -1.864 -5.995 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.543 -1.254 -10.154 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.512 -3.077 -6.603 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.679 -2.362 -10.775 1.00 0.00 H new ATOM 0 HH TYR A 38 7.449 -3.502 -10.060 1.00 0.00 H new ATOM 567 N TYR A 39 0.239 -0.997 -5.129 1.00 0.00 N ATOM 568 CA TYR A 39 -0.672 -0.205 -4.301 1.00 0.00 C ATOM 569 C TYR A 39 -0.136 1.227 -4.149 1.00 0.00 C ATOM 570 O TYR A 39 0.895 1.432 -3.506 1.00 0.00 O ATOM 571 CB TYR A 39 -0.872 -0.856 -2.923 1.00 0.00 C ATOM 572 CG TYR A 39 -1.266 -2.322 -2.942 1.00 0.00 C ATOM 573 CD1 TYR A 39 -2.324 -2.754 -3.763 1.00 0.00 C ATOM 574 CD2 TYR A 39 -0.575 -3.255 -2.144 1.00 0.00 C ATOM 575 CE1 TYR A 39 -2.677 -4.117 -3.802 1.00 0.00 C ATOM 576 CE2 TYR A 39 -0.926 -4.618 -2.182 1.00 0.00 C ATOM 577 CZ TYR A 39 -1.984 -5.052 -3.009 1.00 0.00 C ATOM 578 OH TYR A 39 -2.314 -6.371 -3.088 1.00 0.00 O ATOM 0 H TYR A 39 0.761 -1.702 -4.608 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.642 -0.167 -4.797 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.053 -0.754 -2.355 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.639 -0.299 -2.386 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.866 -2.039 -4.364 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.227 -2.924 -1.501 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.482 -4.446 -4.442 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.385 -5.332 -1.578 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.744 -6.888 -2.480 1.00 0.00 H new ATOM 588 N GLN A 40 -0.808 2.199 -4.771 1.00 0.00 N ATOM 589 CA GLN A 40 -0.506 3.627 -4.653 1.00 0.00 C ATOM 590 C GLN A 40 -0.801 4.097 -3.221 1.00 0.00 C ATOM 591 O GLN A 40 -1.964 4.215 -2.838 1.00 0.00 O ATOM 592 CB GLN A 40 -1.331 4.414 -5.693 1.00 0.00 C ATOM 593 CG GLN A 40 -1.190 5.947 -5.560 1.00 0.00 C ATOM 594 CD GLN A 40 -2.051 6.722 -6.561 1.00 0.00 C ATOM 595 OE1 GLN A 40 -2.800 7.627 -6.215 1.00 0.00 O ATOM 596 NE2 GLN A 40 -1.971 6.417 -7.837 1.00 0.00 N ATOM 0 H GLN A 40 -1.598 2.009 -5.387 1.00 0.00 H new ATOM 0 HA GLN A 40 0.550 3.807 -4.854 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.020 4.114 -6.694 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.382 4.144 -5.591 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.465 6.244 -4.548 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.145 6.223 -5.700 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.353 5.666 -8.144 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.527 6.931 -8.520 1.00 0.00 H new ATOM 605 N VAL A 41 0.229 4.327 -2.410 1.00 0.00 N ATOM 606 CA VAL A 41 0.092 4.868 -1.049 1.00 0.00 C ATOM 607 C VAL A 41 0.062 6.400 -1.117 1.00 0.00 C ATOM 608 O VAL A 41 1.045 7.024 -1.515 1.00 0.00 O ATOM 609 CB VAL A 41 1.196 4.370 -0.104 1.00 0.00 C ATOM 610 CG1 VAL A 41 0.822 4.724 1.342 1.00 0.00 C ATOM 611 CG2 VAL A 41 1.383 2.850 -0.216 1.00 0.00 C ATOM 0 H VAL A 41 1.196 4.143 -2.677 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.846 4.505 -0.629 1.00 0.00 H new ATOM 0 HB VAL A 41 2.131 4.854 -0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.603 4.372 2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.720 5.805 1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.123 4.246 1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.171 2.529 0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.451 2.349 0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.660 2.592 -1.238 1.00 0.00 H new ATOM 621 N ASP A 42 -1.076 6.998 -0.766 1.00 0.00 N ATOM 622 CA ASP A 42 -1.360 8.437 -0.766 1.00 0.00 C ATOM 623 C ASP A 42 -1.454 8.979 0.673 1.00 0.00 C ATOM 624 O ASP A 42 -2.404 8.694 1.405 1.00 0.00 O ATOM 625 CB ASP A 42 -2.664 8.687 -1.544 1.00 0.00 C ATOM 626 CG ASP A 42 -2.968 10.180 -1.772 1.00 0.00 C ATOM 627 OD1 ASP A 42 -2.043 11.022 -1.698 1.00 0.00 O ATOM 628 OD2 ASP A 42 -4.142 10.515 -2.064 1.00 0.00 O ATOM 0 H ASP A 42 -1.880 6.455 -0.452 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.544 8.970 -1.255 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.603 8.185 -2.510 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.494 8.234 -1.001 1.00 0.00 H new ATOM 633 N PHE A 43 -0.441 9.723 1.117 1.00 0.00 N ATOM 634 CA PHE A 43 -0.331 10.228 2.493 1.00 0.00 C ATOM 635 C PHE A 43 -1.086 11.564 2.683 1.00 0.00 C ATOM 636 O PHE A 43 -1.143 12.375 1.750 1.00 0.00 O ATOM 637 CB PHE A 43 1.156 10.405 2.840 1.00 0.00 C ATOM 638 CG PHE A 43 2.031 9.238 2.433 1.00 0.00 C ATOM 639 CD1 PHE A 43 2.622 9.223 1.157 1.00 0.00 C ATOM 640 CD2 PHE A 43 2.211 8.145 3.292 1.00 0.00 C ATOM 641 CE1 PHE A 43 3.377 8.118 0.736 1.00 0.00 C ATOM 642 CE2 PHE A 43 2.954 7.037 2.874 1.00 0.00 C ATOM 643 CZ PHE A 43 3.538 7.022 1.598 1.00 0.00 C ATOM 0 H PHE A 43 0.341 9.998 0.523 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.792 9.503 3.163 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.526 11.308 2.355 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.251 10.558 3.915 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.494 10.068 0.497 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.774 8.159 4.280 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.831 8.111 -0.244 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.079 6.191 3.534 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.113 6.165 1.279 1.00 0.00 H new ATOM 653 N PRO A 44 -1.621 11.859 3.884 1.00 0.00 N ATOM 654 CA PRO A 44 -2.303 13.126 4.157 1.00 0.00 C ATOM 655 C PRO A 44 -1.319 14.309 4.134 1.00 0.00 C ATOM 656 O PRO A 44 -0.310 14.310 4.845 1.00 0.00 O ATOM 657 CB PRO A 44 -2.971 12.941 5.523 1.00 0.00 C ATOM 658 CG PRO A 44 -2.092 11.902 6.219 1.00 0.00 C ATOM 659 CD PRO A 44 -1.627 11.010 5.069 1.00 0.00 C ATOM 0 HA PRO A 44 -3.043 13.366 3.393 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.005 13.876 6.082 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.999 12.593 5.422 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.251 12.366 6.734 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.650 11.338 6.966 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.634 10.605 5.265 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.297 10.160 4.938 1.00 0.00 H new ATOM 667 N GLY A 45 -1.599 15.321 3.305 1.00 0.00 N ATOM 668 CA GLY A 45 -0.777 16.535 3.180 1.00 0.00 C ATOM 669 C GLY A 45 0.603 16.328 2.534 1.00 0.00 C ATOM 670 O GLY A 45 1.498 17.154 2.730 1.00 0.00 O ATOM 0 H GLY A 45 -2.414 15.322 2.692 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.329 17.269 2.593 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.635 16.962 4.173 1.00 0.00 H new ATOM 674 N SER A 46 0.784 15.242 1.774 1.00 0.00 N ATOM 675 CA SER A 46 2.042 14.861 1.117 1.00 0.00 C ATOM 676 C SER A 46 1.796 14.333 -0.300 1.00 0.00 C ATOM 677 O SER A 46 1.125 13.316 -0.484 1.00 0.00 O ATOM 678 CB SER A 46 2.766 13.793 1.959 1.00 0.00 C ATOM 679 OG SER A 46 3.825 14.365 2.711 1.00 0.00 O ATOM 0 H SER A 46 0.031 14.579 1.592 1.00 0.00 H new ATOM 0 HA SER A 46 2.667 15.751 1.038 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.056 13.314 2.632 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.160 13.015 1.305 1.00 0.00 H new ATOM 0 HG SER A 46 4.267 13.666 3.238 1.00 0.00 H new ATOM 685 N ARG A 47 2.358 15.015 -1.311 1.00 0.00 N ATOM 686 CA ARG A 47 2.305 14.603 -2.731 1.00 0.00 C ATOM 687 C ARG A 47 3.107 13.334 -3.030 1.00 0.00 C ATOM 688 O ARG A 47 2.889 12.714 -4.074 1.00 0.00 O ATOM 689 CB ARG A 47 2.829 15.721 -3.643 1.00 0.00 C ATOM 690 CG ARG A 47 1.746 16.758 -3.951 1.00 0.00 C ATOM 691 CD ARG A 47 2.230 17.653 -5.095 1.00 0.00 C ATOM 692 NE ARG A 47 1.134 18.466 -5.650 1.00 0.00 N ATOM 693 CZ ARG A 47 1.217 19.289 -6.678 1.00 0.00 C ATOM 694 NH1 ARG A 47 2.349 19.524 -7.283 1.00 0.00 N ATOM 695 NH2 ARG A 47 0.155 19.894 -7.125 1.00 0.00 N ATOM 0 H ARG A 47 2.872 15.884 -1.166 1.00 0.00 H new ATOM 0 HA ARG A 47 1.254 14.396 -2.930 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.677 16.212 -3.166 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.194 15.289 -4.575 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.816 16.261 -4.228 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.535 17.358 -3.066 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.023 18.308 -4.734 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.661 17.036 -5.883 1.00 0.00 H new ATOM 0 HE ARG A 47 0.224 18.385 -5.196 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.203 19.066 -6.964 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.380 20.166 -8.075 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.749 19.733 -6.680 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.226 20.529 -7.920 1.00 0.00 H new ATOM 709 N SER A 48 4.028 12.958 -2.142 1.00 0.00 N ATOM 710 CA SER A 48 4.792 11.717 -2.246 1.00 0.00 C ATOM 711 C SER A 48 3.854 10.522 -2.422 1.00 0.00 C ATOM 712 O SER A 48 2.755 10.481 -1.862 1.00 0.00 O ATOM 713 CB SER A 48 5.662 11.508 -1.004 1.00 0.00 C ATOM 714 OG SER A 48 6.547 12.605 -0.835 1.00 0.00 O ATOM 0 H SER A 48 4.266 13.514 -1.321 1.00 0.00 H new ATOM 0 HA SER A 48 5.439 11.795 -3.120 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.030 11.402 -0.122 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.231 10.584 -1.101 1.00 0.00 H new ATOM 0 HG SER A 48 7.097 12.461 -0.037 1.00 0.00 H new ATOM 720 N LYS A 49 4.299 9.542 -3.202 1.00 0.00 N ATOM 721 CA LYS A 49 3.583 8.296 -3.453 1.00 0.00 C ATOM 722 C LYS A 49 4.531 7.116 -3.310 1.00 0.00 C ATOM 723 O LYS A 49 5.696 7.194 -3.707 1.00 0.00 O ATOM 724 CB LYS A 49 2.906 8.322 -4.847 1.00 0.00 C ATOM 725 CG LYS A 49 3.853 8.710 -6.001 1.00 0.00 C ATOM 726 CD LYS A 49 3.235 8.490 -7.395 1.00 0.00 C ATOM 727 CE LYS A 49 2.881 9.787 -8.134 1.00 0.00 C ATOM 728 NZ LYS A 49 4.091 10.547 -8.554 1.00 0.00 N ATOM 0 H LYS A 49 5.193 9.594 -3.691 1.00 0.00 H new ATOM 0 HA LYS A 49 2.791 8.185 -2.713 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.485 7.338 -5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.074 9.026 -4.822 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.132 9.758 -5.896 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.770 8.126 -5.921 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.934 7.916 -8.004 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.333 7.886 -7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.281 9.550 -9.012 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.267 10.414 -7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.837 11.542 -8.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.812 10.492 -7.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.470 10.138 -9.432 1.00 0.00 H new ATOM 742 N ALA A 50 4.029 6.034 -2.734 1.00 0.00 N ATOM 743 CA ALA A 50 4.770 4.787 -2.585 1.00 0.00 C ATOM 744 C ALA A 50 4.050 3.713 -3.410 1.00 0.00 C ATOM 745 O ALA A 50 2.819 3.707 -3.475 1.00 0.00 O ATOM 746 CB ALA A 50 4.911 4.396 -1.119 1.00 0.00 C ATOM 0 H ALA A 50 3.084 5.995 -2.352 1.00 0.00 H new ATOM 0 HA ALA A 50 5.788 4.904 -2.956 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.468 3.462 -1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.444 5.181 -0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.922 4.265 -0.681 1.00 0.00 H new ATOM 752 N TYR A 51 4.809 2.827 -4.054 1.00 0.00 N ATOM 753 CA TYR A 51 4.283 1.763 -4.913 1.00 0.00 C ATOM 754 C TYR A 51 4.650 0.416 -4.282 1.00 0.00 C ATOM 755 O TYR A 51 5.777 -0.065 -4.404 1.00 0.00 O ATOM 756 CB TYR A 51 4.836 1.947 -6.345 1.00 0.00 C ATOM 757 CG TYR A 51 3.964 2.791 -7.266 1.00 0.00 C ATOM 758 CD1 TYR A 51 3.449 4.033 -6.842 1.00 0.00 C ATOM 759 CD2 TYR A 51 3.644 2.321 -8.555 1.00 0.00 C ATOM 760 CE1 TYR A 51 2.597 4.778 -7.675 1.00 0.00 C ATOM 761 CE2 TYR A 51 2.778 3.055 -9.387 1.00 0.00 C ATOM 762 CZ TYR A 51 2.259 4.292 -8.956 1.00 0.00 C ATOM 763 OH TYR A 51 1.458 5.010 -9.789 1.00 0.00 O ATOM 0 H TYR A 51 5.827 2.828 -3.993 1.00 0.00 H new ATOM 0 HA TYR A 51 3.197 1.802 -4.995 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.823 2.406 -6.282 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.970 0.964 -6.796 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.712 4.416 -5.867 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.066 1.391 -8.907 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.201 5.723 -7.335 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.510 2.669 -10.359 1.00 0.00 H new ATOM 0 HH TYR A 51 1.335 4.519 -10.628 1.00 0.00 H new ATOM 773 N VAL A 52 3.689 -0.184 -3.572 1.00 0.00 N ATOM 774 CA VAL A 52 3.888 -1.432 -2.808 1.00 0.00 C ATOM 775 C VAL A 52 3.548 -2.646 -3.682 1.00 0.00 C ATOM 776 O VAL A 52 2.436 -2.695 -4.211 1.00 0.00 O ATOM 777 CB VAL A 52 3.031 -1.445 -1.533 1.00 0.00 C ATOM 778 CG1 VAL A 52 3.145 -2.778 -0.784 1.00 0.00 C ATOM 779 CG2 VAL A 52 3.451 -0.307 -0.595 1.00 0.00 C ATOM 0 H VAL A 52 2.739 0.182 -3.507 1.00 0.00 H new ATOM 0 HA VAL A 52 4.936 -1.484 -2.513 1.00 0.00 H new ATOM 0 HB VAL A 52 1.995 -1.309 -1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.524 -2.746 0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.809 -3.589 -1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.183 -2.948 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.834 -0.330 0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.498 -0.430 -0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.319 0.649 -1.101 1.00 0.00 H new ATOM 789 N PRO A 53 4.462 -3.620 -3.859 1.00 0.00 N ATOM 790 CA PRO A 53 4.236 -4.781 -4.723 1.00 0.00 C ATOM 791 C PRO A 53 3.116 -5.675 -4.185 1.00 0.00 C ATOM 792 O PRO A 53 3.110 -6.035 -3.010 1.00 0.00 O ATOM 793 CB PRO A 53 5.574 -5.531 -4.761 1.00 0.00 C ATOM 794 CG PRO A 53 6.248 -5.135 -3.449 1.00 0.00 C ATOM 795 CD PRO A 53 5.779 -3.700 -3.240 1.00 0.00 C ATOM 0 HA PRO A 53 3.916 -4.476 -5.719 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.427 -6.609 -4.826 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.173 -5.238 -5.623 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.943 -5.783 -2.627 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.334 -5.198 -3.518 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.728 -3.456 -2.179 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.470 -2.992 -3.697 1.00 0.00 H new ATOM 803 N VAL A 54 2.194 -6.092 -5.056 1.00 0.00 N ATOM 804 CA VAL A 54 1.109 -7.026 -4.694 1.00 0.00 C ATOM 805 C VAL A 54 1.592 -8.438 -4.334 1.00 0.00 C ATOM 806 O VAL A 54 0.913 -9.152 -3.597 1.00 0.00 O ATOM 807 CB VAL A 54 0.050 -7.117 -5.807 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.642 -5.766 -6.030 1.00 0.00 C ATOM 809 CG2 VAL A 54 0.626 -7.589 -7.149 1.00 0.00 C ATOM 0 H VAL A 54 2.173 -5.796 -6.032 1.00 0.00 H new ATOM 0 HA VAL A 54 0.666 -6.601 -3.794 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.669 -7.859 -5.459 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.384 -5.864 -6.822 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.133 -5.453 -5.109 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.099 -5.020 -6.317 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.171 -7.632 -7.892 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.394 -6.891 -7.481 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.064 -8.580 -7.029 1.00 0.00 H new ATOM 819 N GLU A 55 2.760 -8.849 -4.838 1.00 0.00 N ATOM 820 CA GLU A 55 3.338 -10.184 -4.621 1.00 0.00 C ATOM 821 C GLU A 55 3.880 -10.352 -3.196 1.00 0.00 C ATOM 822 O GLU A 55 3.588 -11.348 -2.528 1.00 0.00 O ATOM 823 CB GLU A 55 4.479 -10.439 -5.626 1.00 0.00 C ATOM 824 CG GLU A 55 4.075 -10.356 -7.107 1.00 0.00 C ATOM 825 CD GLU A 55 3.247 -11.556 -7.626 1.00 0.00 C ATOM 826 OE1 GLU A 55 2.580 -12.267 -6.836 1.00 0.00 O ATOM 827 OE2 GLU A 55 3.256 -11.796 -8.859 1.00 0.00 O ATOM 0 H GLU A 55 3.345 -8.251 -5.422 1.00 0.00 H new ATOM 0 HA GLU A 55 2.537 -10.908 -4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.273 -9.716 -5.441 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.897 -11.427 -5.434 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.500 -9.443 -7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.979 -10.269 -7.710 1.00 0.00 H new ATOM 834 N ALA A 56 4.660 -9.373 -2.728 1.00 0.00 N ATOM 835 CA ALA A 56 5.234 -9.349 -1.385 1.00 0.00 C ATOM 836 C ALA A 56 5.086 -7.957 -0.731 1.00 0.00 C ATOM 837 O ALA A 56 6.087 -7.272 -0.490 1.00 0.00 O ATOM 838 CB ALA A 56 6.686 -9.843 -1.490 1.00 0.00 C ATOM 0 H ALA A 56 4.914 -8.558 -3.287 1.00 0.00 H new ATOM 0 HA ALA A 56 4.693 -10.017 -0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.145 -9.837 -0.501 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.697 -10.857 -1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.247 -9.185 -2.154 1.00 0.00 H new ATOM 844 N PRO A 57 3.858 -7.543 -0.352 1.00 0.00 N ATOM 845 CA PRO A 57 3.605 -6.210 0.197 1.00 0.00 C ATOM 846 C PRO A 57 4.219 -6.043 1.589 1.00 0.00 C ATOM 847 O PRO A 57 4.663 -4.957 1.943 1.00 0.00 O ATOM 848 CB PRO A 57 2.083 -6.050 0.207 1.00 0.00 C ATOM 849 CG PRO A 57 1.567 -7.485 0.298 1.00 0.00 C ATOM 850 CD PRO A 57 2.606 -8.271 -0.501 1.00 0.00 C ATOM 0 HA PRO A 57 4.074 -5.433 -0.406 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.749 -5.450 1.054 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.727 -5.553 -0.695 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.507 -7.828 1.331 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.569 -7.584 -0.129 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.699 -9.290 -0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.319 -8.344 -1.550 1.00 0.00 H new ATOM 858 N HIS A 58 4.312 -7.126 2.367 1.00 0.00 N ATOM 859 CA HIS A 58 4.973 -7.142 3.678 1.00 0.00 C ATOM 860 C HIS A 58 6.509 -7.054 3.579 1.00 0.00 C ATOM 861 O HIS A 58 7.149 -6.609 4.529 1.00 0.00 O ATOM 862 CB HIS A 58 4.522 -8.395 4.450 1.00 0.00 C ATOM 863 CG HIS A 58 4.797 -9.700 3.735 1.00 0.00 C ATOM 864 ND1 HIS A 58 6.036 -10.295 3.564 1.00 0.00 N ATOM 865 CD2 HIS A 58 3.858 -10.498 3.139 1.00 0.00 C ATOM 866 CE1 HIS A 58 5.854 -11.425 2.852 1.00 0.00 C ATOM 867 NE2 HIS A 58 4.538 -11.572 2.588 1.00 0.00 N ATOM 0 H HIS A 58 3.924 -8.031 2.100 1.00 0.00 H new ATOM 0 HA HIS A 58 4.670 -6.248 4.224 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.024 -8.412 5.417 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.453 -8.321 4.647 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.793 -10.324 3.105 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.635 -12.104 2.542 1.00 0.00 H new ATOM 0 HE2 HIS A 58 4.116 -12.343 2.071 1.00 0.00 H new ATOM 876 N SER A 59 7.112 -7.448 2.447 1.00 0.00 N ATOM 877 CA SER A 59 8.578 -7.507 2.263 1.00 0.00 C ATOM 878 C SER A 59 9.241 -6.124 2.313 1.00 0.00 C ATOM 879 O SER A 59 10.363 -5.991 2.806 1.00 0.00 O ATOM 880 CB SER A 59 8.919 -8.214 0.945 1.00 0.00 C ATOM 881 OG SER A 59 10.285 -8.595 0.897 1.00 0.00 O ATOM 0 H SER A 59 6.592 -7.740 1.620 1.00 0.00 H new ATOM 0 HA SER A 59 8.980 -8.079 3.099 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.290 -9.097 0.831 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.695 -7.553 0.108 1.00 0.00 H new ATOM 0 HG SER A 59 10.470 -9.044 0.046 1.00 0.00 H new ATOM 887 N VAL A 60 8.544 -5.081 1.843 1.00 0.00 N ATOM 888 CA VAL A 60 8.998 -3.674 1.917 1.00 0.00 C ATOM 889 C VAL A 60 8.919 -3.102 3.348 1.00 0.00 C ATOM 890 O VAL A 60 9.513 -2.064 3.639 1.00 0.00 O ATOM 891 CB VAL A 60 8.188 -2.819 0.917 1.00 0.00 C ATOM 892 CG1 VAL A 60 6.740 -2.583 1.361 1.00 0.00 C ATOM 893 CG2 VAL A 60 8.828 -1.462 0.608 1.00 0.00 C ATOM 0 H VAL A 60 7.635 -5.186 1.393 1.00 0.00 H new ATOM 0 HA VAL A 60 10.052 -3.642 1.642 1.00 0.00 H new ATOM 0 HB VAL A 60 8.191 -3.420 0.008 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.225 -1.976 0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.230 -3.541 1.464 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.733 -2.064 2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.203 -0.918 -0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.920 -0.885 1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.817 -1.616 0.176 1.00 0.00 H new ATOM 903 N GLY A 61 8.199 -3.780 4.253 1.00 0.00 N ATOM 904 CA GLY A 61 7.919 -3.352 5.630 1.00 0.00 C ATOM 905 C GLY A 61 6.550 -2.677 5.829 1.00 0.00 C ATOM 906 O GLY A 61 6.284 -2.158 6.915 1.00 0.00 O ATOM 0 H GLY A 61 7.777 -4.683 4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.979 -4.221 6.285 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.699 -2.660 5.946 1.00 0.00 H new ATOM 910 N LEU A 62 5.679 -2.666 4.811 1.00 0.00 N ATOM 911 CA LEU A 62 4.309 -2.150 4.898 1.00 0.00 C ATOM 912 C LEU A 62 3.389 -3.127 5.658 1.00 0.00 C ATOM 913 O LEU A 62 3.268 -4.296 5.283 1.00 0.00 O ATOM 914 CB LEU A 62 3.758 -1.890 3.478 1.00 0.00 C ATOM 915 CG LEU A 62 2.349 -1.255 3.533 1.00 0.00 C ATOM 916 CD1 LEU A 62 2.432 0.259 3.419 1.00 0.00 C ATOM 917 CD2 LEU A 62 1.389 -1.807 2.485 1.00 0.00 C ATOM 0 H LEU A 62 5.914 -3.024 3.885 1.00 0.00 H new ATOM 0 HA LEU A 62 4.331 -1.213 5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.436 -1.230 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.716 -2.828 2.924 1.00 0.00 H new ATOM 0 HG LEU A 62 1.939 -1.527 4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.428 0.683 3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.027 0.654 4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.900 0.527 2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.421 -1.316 2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.791 -1.620 1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.268 -2.880 2.632 1.00 0.00 H new ATOM 929 N ARG A 63 2.705 -2.631 6.695 1.00 0.00 N ATOM 930 CA ARG A 63 1.707 -3.360 7.506 1.00 0.00 C ATOM 931 C ARG A 63 0.526 -2.466 7.910 1.00 0.00 C ATOM 932 O ARG A 63 0.591 -1.243 7.780 1.00 0.00 O ATOM 933 CB ARG A 63 2.397 -3.913 8.764 1.00 0.00 C ATOM 934 CG ARG A 63 3.248 -5.167 8.506 1.00 0.00 C ATOM 935 CD ARG A 63 2.386 -6.397 8.161 1.00 0.00 C ATOM 936 NE ARG A 63 2.798 -7.592 8.926 1.00 0.00 N ATOM 937 CZ ARG A 63 2.664 -7.798 10.226 1.00 0.00 C ATOM 938 NH1 ARG A 63 2.071 -6.942 11.011 1.00 0.00 N ATOM 939 NH2 ARG A 63 3.139 -8.877 10.777 1.00 0.00 N ATOM 0 H ARG A 63 2.833 -1.670 7.011 1.00 0.00 H new ATOM 0 HA ARG A 63 1.304 -4.173 6.901 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.032 -3.136 9.190 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.638 -4.148 9.510 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.941 -4.971 7.688 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.849 -5.383 9.389 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.339 -6.176 8.369 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.462 -6.605 7.094 1.00 0.00 H new ATOM 0 HE ARG A 63 3.235 -8.343 8.392 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.690 -6.077 10.627 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.988 -7.138 12.009 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.619 -9.572 10.206 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.031 -9.027 11.780 1.00 0.00 H new ATOM 953 N LYS A 64 -0.567 -3.071 8.393 1.00 0.00 N ATOM 954 CA LYS A 64 -1.764 -2.364 8.887 1.00 0.00 C ATOM 955 C LYS A 64 -1.467 -1.793 10.279 1.00 0.00 C ATOM 956 O LYS A 64 -1.008 -2.516 11.166 1.00 0.00 O ATOM 957 CB LYS A 64 -2.992 -3.306 8.908 1.00 0.00 C ATOM 958 CG LYS A 64 -4.019 -2.874 7.851 1.00 0.00 C ATOM 959 CD LYS A 64 -5.052 -3.957 7.506 1.00 0.00 C ATOM 960 CE LYS A 64 -5.161 -4.103 5.980 1.00 0.00 C ATOM 961 NZ LYS A 64 -6.358 -4.885 5.581 1.00 0.00 N ATOM 0 H LYS A 64 -0.649 -4.086 8.454 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.007 -1.542 8.213 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.675 -4.331 8.718 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.451 -3.293 9.897 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.543 -1.987 8.209 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.491 -2.587 6.942 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.759 -4.908 7.952 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.023 -3.694 7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.205 -3.114 5.523 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.265 -4.591 5.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.127 -5.479 4.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.657 -5.490 6.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.130 -4.235 5.331 1.00 0.00 H new ATOM 975 N ALA A 65 -1.714 -0.500 10.482 1.00 0.00 N ATOM 976 CA ALA A 65 -1.577 0.191 11.766 1.00 0.00 C ATOM 977 C ALA A 65 -2.798 -0.104 12.666 1.00 0.00 C ATOM 978 O ALA A 65 -3.746 0.683 12.735 1.00 0.00 O ATOM 979 CB ALA A 65 -1.361 1.690 11.504 1.00 0.00 C ATOM 0 H ALA A 65 -2.026 0.118 9.733 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.707 -0.175 12.310 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.258 2.214 12.454 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.456 1.829 10.912 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.216 2.091 10.959 1.00 0.00 H new ATOM 985 N LEU A 66 -2.792 -1.272 13.321 1.00 0.00 N ATOM 986 CA LEU A 66 -3.867 -1.777 14.186 1.00 0.00 C ATOM 987 C LEU A 66 -4.105 -0.835 15.385 1.00 0.00 C ATOM 988 O LEU A 66 -3.315 -0.802 16.334 1.00 0.00 O ATOM 989 CB LEU A 66 -3.533 -3.230 14.593 1.00 0.00 C ATOM 990 CG LEU A 66 -4.762 -4.075 14.990 1.00 0.00 C ATOM 991 CD1 LEU A 66 -4.392 -5.558 15.053 1.00 0.00 C ATOM 992 CD2 LEU A 66 -5.360 -3.678 16.340 1.00 0.00 C ATOM 0 H LEU A 66 -2.005 -1.918 13.260 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.814 -1.794 13.647 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.022 -3.719 13.764 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.835 -3.210 15.430 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.510 -3.887 14.219 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.269 -6.140 15.334 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.037 -5.886 14.076 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.606 -5.706 15.794 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.220 -4.311 16.557 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.610 -3.803 17.121 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.677 -2.636 16.305 1.00 0.00 H new ATOM 1004 N ALA A 67 -5.163 -0.021 15.314 1.00 0.00 N ATOM 1005 CA ALA A 67 -5.488 0.999 16.315 1.00 0.00 C ATOM 1006 C ALA A 67 -5.938 0.374 17.662 1.00 0.00 C ATOM 1007 O ALA A 67 -6.433 -0.760 17.678 1.00 0.00 O ATOM 1008 CB ALA A 67 -6.568 1.927 15.728 1.00 0.00 C ATOM 0 H ALA A 67 -5.831 -0.054 14.543 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.592 1.577 16.543 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.824 2.694 16.458 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.188 2.400 14.823 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.457 1.344 15.487 1.00 0.00 H new ATOM 1014 N PRO A 68 -5.833 1.093 18.798 1.00 0.00 N ATOM 1015 CA PRO A 68 -6.229 0.562 20.108 1.00 0.00 C ATOM 1016 C PRO A 68 -7.751 0.373 20.245 1.00 0.00 C ATOM 1017 O PRO A 68 -8.203 -0.549 20.927 1.00 0.00 O ATOM 1018 CB PRO A 68 -5.694 1.574 21.127 1.00 0.00 C ATOM 1019 CG PRO A 68 -5.645 2.887 20.348 1.00 0.00 C ATOM 1020 CD PRO A 68 -5.287 2.436 18.932 1.00 0.00 C ATOM 0 HA PRO A 68 -5.819 -0.436 20.262 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.347 1.649 21.996 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.708 1.289 21.493 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.602 3.408 20.375 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -4.899 3.570 20.755 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.713 3.108 18.187 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.207 2.437 18.782 1.00 0.00 H new ATOM 1028 N GLU A 69 -8.542 1.232 19.595 1.00 0.00 N ATOM 1029 CA GLU A 69 -10.009 1.267 19.631 1.00 0.00 C ATOM 1030 C GLU A 69 -10.567 1.564 18.227 1.00 0.00 C ATOM 1031 O GLU A 69 -10.270 2.609 17.639 1.00 0.00 O ATOM 1032 CB GLU A 69 -10.495 2.330 20.633 1.00 0.00 C ATOM 1033 CG GLU A 69 -10.097 2.028 22.086 1.00 0.00 C ATOM 1034 CD GLU A 69 -10.640 3.097 23.053 1.00 0.00 C ATOM 1035 OE1 GLU A 69 -10.173 4.262 23.007 1.00 0.00 O ATOM 1036 OE2 GLU A 69 -11.528 2.780 23.883 1.00 0.00 O ATOM 0 H GLU A 69 -8.156 1.962 18.996 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.373 0.292 19.955 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.089 3.300 20.347 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.580 2.408 20.570 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.479 1.048 22.373 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.011 1.982 22.165 1.00 0.00 H new ATOM 1043 N GLU A 70 -11.345 0.630 17.668 1.00 0.00 N ATOM 1044 CA GLU A 70 -11.994 0.724 16.342 1.00 0.00 C ATOM 1045 C GLU A 70 -13.296 1.554 16.370 1.00 0.00 C ATOM 1046 O GLU A 70 -13.319 2.644 15.754 1.00 0.00 O ATOM 1047 CB GLU A 70 -12.203 -0.703 15.778 1.00 0.00 C ATOM 1048 CG GLU A 70 -11.518 -0.920 14.417 1.00 0.00 C ATOM 1049 CD GLU A 70 -11.096 -2.395 14.223 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -9.997 -2.785 14.693 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -11.849 -3.180 13.593 1.00 0.00 O ATOM 1052 OXT GLU A 70 -14.283 1.131 17.017 1.00 0.00 O ATOM 0 H GLU A 70 -11.552 -0.250 18.141 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.334 1.271 15.669 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -11.817 -1.430 16.493 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.271 -0.894 15.675 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.197 -0.626 13.616 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.641 -0.277 14.343 1.00 0.00 H new TER 1059 GLU A 70