USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 721 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 78 TYR OH : rot 180:sc= 0.454 USER MOD Set 1.2: A 82 LYS NZ :NH3+ -169:sc= 0.488 (180deg=0.015) USER MOD Set 2.1: A 19 MET CE :methyl -108:sc= -0.31 (180deg=-1.25!) USER MOD Set 2.2: A 23 LYS NZ :NH3+ -158:sc= -0.0214 (180deg=-0.406) USER MOD Single : A 1 GLY N :NH3+ 143:sc= 0.0207 (180deg=0) USER MOD Single : A 2 SER OG : rot 18:sc= 0.0124 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.174) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 28 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.9!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -61:sc= 0.52 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 98:sc= 1.27 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.477 K(o=-0.48,f=-3.5!) USER MOD Single : A 60 CYS SG : rot 180:sc= -0.3 USER MOD Single : A 73 GLN : amide:sc= -0.843 X(o=-0.84,f=-0.8) USER MOD Single : A 74 THR OG1 : rot 65:sc= 0.797 USER MOD Single : A 77 THR OG1 : rot 77:sc= 0.12 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -54:sc= 0.0626 USER MOD Single : A 88 SER OG : rot 33:sc= 0.228 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.373 0.094 -9.578 1.00 0.00 N ATOM 2 CA GLY A 1 17.369 0.548 -8.200 1.00 0.00 C ATOM 3 C GLY A 1 17.127 2.039 -8.081 1.00 0.00 C ATOM 4 O GLY A 1 17.519 2.811 -8.957 1.00 0.00 O ATOM 0 H1 GLY A 1 18.090 -0.650 -9.696 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.436 -0.286 -9.821 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.596 0.892 -10.206 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.597 0.013 -7.647 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.324 0.300 -7.736 1.00 0.00 H new ATOM 8 N SER A 2 16.480 2.448 -6.995 1.00 0.00 N ATOM 9 CA SER A 2 16.181 3.857 -6.767 1.00 0.00 C ATOM 10 C SER A 2 16.361 4.219 -5.296 1.00 0.00 C ATOM 11 O SER A 2 15.576 3.806 -4.443 1.00 0.00 O ATOM 12 CB SER A 2 14.753 4.176 -7.211 1.00 0.00 C ATOM 13 OG SER A 2 14.680 4.336 -8.617 1.00 0.00 O ATOM 0 H SER A 2 16.152 1.823 -6.258 1.00 0.00 H new ATOM 0 HA SER A 2 16.878 4.451 -7.358 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.084 3.375 -6.898 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.411 5.087 -6.720 1.00 0.00 H new ATOM 0 HG SER A 2 15.474 3.939 -9.033 1.00 0.00 H new ATOM 19 N SER A 3 17.401 4.995 -5.007 1.00 0.00 N ATOM 20 CA SER A 3 17.688 5.411 -3.639 1.00 0.00 C ATOM 21 C SER A 3 18.143 6.866 -3.598 1.00 0.00 C ATOM 22 O SER A 3 19.253 7.194 -4.016 1.00 0.00 O ATOM 23 CB SER A 3 18.762 4.512 -3.025 1.00 0.00 C ATOM 24 OG SER A 3 18.838 4.693 -1.621 1.00 0.00 O ATOM 0 H SER A 3 18.059 5.348 -5.702 1.00 0.00 H new ATOM 0 HA SER A 3 16.771 5.319 -3.057 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.539 3.469 -3.249 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.729 4.735 -3.476 1.00 0.00 H new ATOM 0 HG SER A 3 19.531 4.106 -1.252 1.00 0.00 H new ATOM 30 N GLY A 4 17.275 7.737 -3.090 1.00 0.00 N ATOM 31 CA GLY A 4 17.605 9.148 -3.003 1.00 0.00 C ATOM 32 C GLY A 4 16.656 10.015 -3.806 1.00 0.00 C ATOM 33 O GLY A 4 16.977 10.434 -4.918 1.00 0.00 O ATOM 0 H GLY A 4 16.350 7.491 -2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.582 9.460 -1.959 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.623 9.303 -3.359 1.00 0.00 H new ATOM 37 N SER A 5 15.482 10.284 -3.243 1.00 0.00 N ATOM 38 CA SER A 5 14.481 11.104 -3.916 1.00 0.00 C ATOM 39 C SER A 5 13.878 12.124 -2.955 1.00 0.00 C ATOM 40 O SER A 5 13.858 11.915 -1.742 1.00 0.00 O ATOM 41 CB SER A 5 13.377 10.220 -4.499 1.00 0.00 C ATOM 42 OG SER A 5 12.761 10.840 -5.614 1.00 0.00 O ATOM 0 H SER A 5 15.201 9.946 -2.323 1.00 0.00 H new ATOM 0 HA SER A 5 14.972 11.642 -4.727 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.797 9.260 -4.799 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.629 10.016 -3.733 1.00 0.00 H new ATOM 0 HG SER A 5 12.060 10.254 -5.969 1.00 0.00 H new ATOM 48 N SER A 6 13.388 13.229 -3.507 1.00 0.00 N ATOM 49 CA SER A 6 12.787 14.285 -2.701 1.00 0.00 C ATOM 50 C SER A 6 11.339 14.529 -3.116 1.00 0.00 C ATOM 51 O SER A 6 10.918 14.133 -4.202 1.00 0.00 O ATOM 52 CB SER A 6 13.593 15.578 -2.833 1.00 0.00 C ATOM 53 OG SER A 6 14.908 15.414 -2.330 1.00 0.00 O ATOM 0 H SER A 6 13.395 13.416 -4.510 1.00 0.00 H new ATOM 0 HA SER A 6 12.798 13.964 -1.660 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.636 15.878 -3.880 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.091 16.380 -2.292 1.00 0.00 H new ATOM 0 HG SER A 6 15.403 16.254 -2.428 1.00 0.00 H new ATOM 59 N GLY A 7 10.582 15.186 -2.242 1.00 0.00 N ATOM 60 CA GLY A 7 9.190 15.473 -2.535 1.00 0.00 C ATOM 61 C GLY A 7 8.243 14.813 -1.552 1.00 0.00 C ATOM 62 O GLY A 7 8.350 13.616 -1.284 1.00 0.00 O ATOM 0 H GLY A 7 10.908 15.524 -1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.033 16.552 -2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.957 15.133 -3.544 1.00 0.00 H new ATOM 66 N SER A 8 7.313 15.595 -1.012 1.00 0.00 N ATOM 67 CA SER A 8 6.348 15.081 -0.048 1.00 0.00 C ATOM 68 C SER A 8 5.112 14.534 -0.757 1.00 0.00 C ATOM 69 O SER A 8 4.293 13.840 -0.154 1.00 0.00 O ATOM 70 CB SER A 8 5.941 16.181 0.934 1.00 0.00 C ATOM 71 OG SER A 8 5.419 17.308 0.251 1.00 0.00 O ATOM 0 H SER A 8 7.208 16.587 -1.226 1.00 0.00 H new ATOM 0 HA SER A 8 6.820 14.268 0.504 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.195 15.795 1.628 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.805 16.480 1.528 1.00 0.00 H new ATOM 0 HG SER A 8 5.165 17.996 0.901 1.00 0.00 H new ATOM 77 N ILE A 9 4.985 14.853 -2.041 1.00 0.00 N ATOM 78 CA ILE A 9 3.850 14.393 -2.833 1.00 0.00 C ATOM 79 C ILE A 9 4.177 13.090 -3.555 1.00 0.00 C ATOM 80 O ILE A 9 3.369 12.161 -3.575 1.00 0.00 O ATOM 81 CB ILE A 9 3.423 15.449 -3.870 1.00 0.00 C ATOM 82 CG1 ILE A 9 2.759 16.640 -3.174 1.00 0.00 C ATOM 83 CG2 ILE A 9 2.481 14.835 -4.893 1.00 0.00 C ATOM 84 CD1 ILE A 9 1.398 16.320 -2.595 1.00 0.00 C ATOM 0 H ILE A 9 5.653 15.428 -2.555 1.00 0.00 H new ATOM 0 HA ILE A 9 3.027 14.224 -2.139 1.00 0.00 H new ATOM 0 HB ILE A 9 4.312 15.806 -4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.411 16.993 -2.375 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.658 17.458 -3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.188 15.593 -5.619 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.985 14.016 -5.407 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.593 14.454 -4.388 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.987 17.210 -2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.730 15.996 -3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.495 15.524 -1.857 1.00 0.00 H new ATOM 96 N LEU A 10 5.364 13.030 -4.147 1.00 0.00 N ATOM 97 CA LEU A 10 5.799 11.840 -4.869 1.00 0.00 C ATOM 98 C LEU A 10 5.845 10.627 -3.944 1.00 0.00 C ATOM 99 O LEU A 10 5.493 9.516 -4.340 1.00 0.00 O ATOM 100 CB LEU A 10 7.175 12.072 -5.494 1.00 0.00 C ATOM 101 CG LEU A 10 7.188 12.796 -6.840 1.00 0.00 C ATOM 102 CD1 LEU A 10 8.589 13.286 -7.171 1.00 0.00 C ATOM 103 CD2 LEU A 10 6.667 11.884 -7.941 1.00 0.00 C ATOM 0 H LEU A 10 6.043 13.791 -4.141 1.00 0.00 H new ATOM 0 HA LEU A 10 5.077 11.642 -5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.779 12.645 -4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.662 11.105 -5.620 1.00 0.00 H new ATOM 0 HG LEU A 10 6.530 13.662 -6.770 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.577 13.799 -8.133 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.926 13.975 -6.397 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.269 12.436 -7.221 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.683 12.416 -8.892 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.299 10.999 -8.009 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.645 11.583 -7.711 1.00 0.00 H new ATOM 115 N LYS A 11 6.281 10.849 -2.709 1.00 0.00 N ATOM 116 CA LYS A 11 6.372 9.777 -1.724 1.00 0.00 C ATOM 117 C LYS A 11 5.017 9.104 -1.529 1.00 0.00 C ATOM 118 O LYS A 11 4.866 7.907 -1.782 1.00 0.00 O ATOM 119 CB LYS A 11 6.879 10.325 -0.389 1.00 0.00 C ATOM 120 CG LYS A 11 8.392 10.305 -0.259 1.00 0.00 C ATOM 121 CD LYS A 11 8.866 11.196 0.877 1.00 0.00 C ATOM 122 CE LYS A 11 10.384 11.283 0.921 1.00 0.00 C ATOM 123 NZ LYS A 11 10.851 12.371 1.825 1.00 0.00 N ATOM 0 H LYS A 11 6.577 11.763 -2.366 1.00 0.00 H new ATOM 0 HA LYS A 11 7.078 9.034 -2.095 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.526 11.349 -0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.445 9.741 0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.730 9.283 -0.086 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.843 10.636 -1.195 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.447 12.195 0.757 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.495 10.807 1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.793 10.330 1.258 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.767 11.457 -0.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.834 12.187 2.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.800 13.282 1.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.246 12.404 2.670 1.00 0.00 H new ATOM 137 N ILE A 12 4.037 9.878 -1.079 1.00 0.00 N ATOM 138 CA ILE A 12 2.694 9.356 -0.852 1.00 0.00 C ATOM 139 C ILE A 12 2.099 8.792 -2.138 1.00 0.00 C ATOM 140 O ILE A 12 1.761 7.612 -2.211 1.00 0.00 O ATOM 141 CB ILE A 12 1.754 10.441 -0.296 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.331 11.036 0.990 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.369 9.864 -0.045 1.00 0.00 C ATOM 144 CD1 ILE A 12 1.434 12.072 1.632 1.00 0.00 C ATOM 0 H ILE A 12 4.146 10.869 -0.864 1.00 0.00 H new ATOM 0 HA ILE A 12 2.786 8.557 -0.116 1.00 0.00 H new ATOM 0 HB ILE A 12 1.665 11.238 -1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.512 10.232 1.703 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.297 11.490 0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.284 10.643 0.348 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.042 9.484 -0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.439 9.051 0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.906 12.451 2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.273 12.895 0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.476 11.617 1.885 1.00 0.00 H new ATOM 156 N GLU A 13 1.975 9.646 -3.150 1.00 0.00 N ATOM 157 CA GLU A 13 1.422 9.233 -4.434 1.00 0.00 C ATOM 158 C GLU A 13 1.939 7.853 -4.830 1.00 0.00 C ATOM 159 O GLU A 13 1.161 6.954 -5.153 1.00 0.00 O ATOM 160 CB GLU A 13 1.773 10.254 -5.518 1.00 0.00 C ATOM 161 CG GLU A 13 0.745 11.361 -5.668 1.00 0.00 C ATOM 162 CD GLU A 13 0.131 11.770 -4.343 1.00 0.00 C ATOM 163 OE1 GLU A 13 0.892 12.143 -3.426 1.00 0.00 O ATOM 164 OE2 GLU A 13 -1.112 11.719 -4.225 1.00 0.00 O ATOM 0 H GLU A 13 2.250 10.627 -3.105 1.00 0.00 H new ATOM 0 HA GLU A 13 0.338 9.180 -4.334 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.741 10.698 -5.287 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.879 9.737 -6.472 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.216 12.229 -6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.044 11.030 -6.343 1.00 0.00 H new ATOM 171 N LYS A 14 3.257 7.692 -4.805 1.00 0.00 N ATOM 172 CA LYS A 14 3.881 6.423 -5.161 1.00 0.00 C ATOM 173 C LYS A 14 3.261 5.273 -4.374 1.00 0.00 C ATOM 174 O LYS A 14 2.719 4.332 -4.954 1.00 0.00 O ATOM 175 CB LYS A 14 5.388 6.481 -4.899 1.00 0.00 C ATOM 176 CG LYS A 14 6.139 7.379 -5.866 1.00 0.00 C ATOM 177 CD LYS A 14 7.404 7.940 -5.238 1.00 0.00 C ATOM 178 CE LYS A 14 8.596 7.023 -5.471 1.00 0.00 C ATOM 179 NZ LYS A 14 9.215 7.247 -6.807 1.00 0.00 N ATOM 0 H LYS A 14 3.915 8.425 -4.542 1.00 0.00 H new ATOM 0 HA LYS A 14 3.710 6.247 -6.223 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.558 6.834 -3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.798 5.473 -4.959 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.396 6.815 -6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.493 8.199 -6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.614 8.924 -5.656 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.251 8.075 -4.167 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.341 7.191 -4.693 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.277 5.984 -5.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.023 6.604 -6.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.512 7.063 -7.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.543 8.231 -6.877 1.00 0.00 H new ATOM 193 N VAL A 15 3.343 5.355 -3.051 1.00 0.00 N ATOM 194 CA VAL A 15 2.788 4.322 -2.184 1.00 0.00 C ATOM 195 C VAL A 15 1.456 3.812 -2.723 1.00 0.00 C ATOM 196 O VAL A 15 1.111 2.642 -2.549 1.00 0.00 O ATOM 197 CB VAL A 15 2.583 4.844 -0.750 1.00 0.00 C ATOM 198 CG1 VAL A 15 1.640 3.932 0.020 1.00 0.00 C ATOM 199 CG2 VAL A 15 3.919 4.969 -0.033 1.00 0.00 C ATOM 0 H VAL A 15 3.789 6.127 -2.555 1.00 0.00 H new ATOM 0 HA VAL A 15 3.507 3.503 -2.165 1.00 0.00 H new ATOM 0 HB VAL A 15 2.130 5.834 -0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.507 4.316 1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.675 3.897 -0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.062 2.928 0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.756 5.339 0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.401 3.992 0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.559 5.665 -0.575 1.00 0.00 H new ATOM 209 N LEU A 16 0.710 4.695 -3.378 1.00 0.00 N ATOM 210 CA LEU A 16 -0.584 4.334 -3.942 1.00 0.00 C ATOM 211 C LEU A 16 -0.424 3.751 -5.343 1.00 0.00 C ATOM 212 O LEU A 16 -0.897 2.650 -5.627 1.00 0.00 O ATOM 213 CB LEU A 16 -1.502 5.557 -3.989 1.00 0.00 C ATOM 214 CG LEU A 16 -2.008 6.069 -2.640 1.00 0.00 C ATOM 215 CD1 LEU A 16 -2.705 7.411 -2.805 1.00 0.00 C ATOM 216 CD2 LEU A 16 -2.944 5.054 -2.001 1.00 0.00 C ATOM 0 H LEU A 16 0.980 5.667 -3.531 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.032 3.575 -3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.969 6.368 -4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.365 5.315 -4.610 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.151 6.207 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.058 7.759 -1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.004 8.137 -3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.553 7.300 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.294 5.435 -1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.798 4.883 -2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.412 4.116 -1.846 1.00 0.00 H new ATOM 228 N LYS A 17 0.247 4.495 -6.215 1.00 0.00 N ATOM 229 CA LYS A 17 0.474 4.052 -7.585 1.00 0.00 C ATOM 230 C LYS A 17 0.746 2.552 -7.633 1.00 0.00 C ATOM 231 O LYS A 17 -0.027 1.791 -8.216 1.00 0.00 O ATOM 232 CB LYS A 17 1.650 4.813 -8.201 1.00 0.00 C ATOM 233 CG LYS A 17 1.417 6.311 -8.306 1.00 0.00 C ATOM 234 CD LYS A 17 0.440 6.647 -9.420 1.00 0.00 C ATOM 235 CE LYS A 17 1.140 6.734 -10.768 1.00 0.00 C ATOM 236 NZ LYS A 17 1.793 8.057 -10.969 1.00 0.00 N ATOM 0 H LYS A 17 0.644 5.409 -5.997 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.428 4.260 -8.161 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.542 4.634 -7.601 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.849 4.414 -9.196 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.033 6.688 -7.358 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.366 6.816 -8.488 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.340 5.887 -9.462 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.050 7.596 -9.202 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.888 5.945 -10.840 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.417 6.561 -11.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.259 8.077 -11.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.075 8.809 -10.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.502 8.211 -10.223 1.00 0.00 H new ATOM 250 N ARG A 18 1.847 2.134 -7.017 1.00 0.00 N ATOM 251 CA ARG A 18 2.219 0.724 -6.991 1.00 0.00 C ATOM 252 C ARG A 18 1.068 -0.132 -6.472 1.00 0.00 C ATOM 253 O ARG A 18 0.713 -1.145 -7.075 1.00 0.00 O ATOM 254 CB ARG A 18 3.457 0.518 -6.116 1.00 0.00 C ATOM 255 CG ARG A 18 4.275 -0.705 -6.498 1.00 0.00 C ATOM 256 CD ARG A 18 5.032 -0.485 -7.798 1.00 0.00 C ATOM 257 NE ARG A 18 6.009 0.596 -7.687 1.00 0.00 N ATOM 258 CZ ARG A 18 6.860 0.918 -8.654 1.00 0.00 C ATOM 259 NH1 ARG A 18 6.856 0.246 -9.798 1.00 0.00 N ATOM 260 NH2 ARG A 18 7.719 1.913 -8.478 1.00 0.00 N ATOM 0 H ARG A 18 2.497 2.751 -6.530 1.00 0.00 H new ATOM 0 HA ARG A 18 2.448 0.415 -8.011 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.090 1.403 -6.182 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.145 0.426 -5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.980 -0.936 -5.700 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.616 -1.567 -6.601 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.541 -1.406 -8.081 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.325 -0.254 -8.595 1.00 0.00 H new ATOM 0 HE ARG A 18 6.039 1.132 -6.820 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.198 -0.521 -9.937 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.511 0.496 -10.539 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.726 2.431 -7.599 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.373 2.160 -9.221 1.00 0.00 H new ATOM 274 N MET A 19 0.489 0.281 -5.349 1.00 0.00 N ATOM 275 CA MET A 19 -0.622 -0.448 -4.748 1.00 0.00 C ATOM 276 C MET A 19 -1.583 -0.953 -5.821 1.00 0.00 C ATOM 277 O MET A 19 -1.982 -2.118 -5.810 1.00 0.00 O ATOM 278 CB MET A 19 -1.370 0.445 -3.758 1.00 0.00 C ATOM 279 CG MET A 19 -2.324 -0.317 -2.853 1.00 0.00 C ATOM 280 SD MET A 19 -3.636 0.727 -2.189 1.00 0.00 S ATOM 281 CE MET A 19 -4.474 1.217 -3.694 1.00 0.00 C ATOM 0 H MET A 19 0.771 1.117 -4.837 1.00 0.00 H new ATOM 0 HA MET A 19 -0.215 -1.307 -4.215 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.645 0.977 -3.142 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.931 1.197 -4.312 1.00 0.00 H new ATOM 0 HG2 MET A 19 -2.768 -1.141 -3.412 1.00 0.00 H new ATOM 0 HG3 MET A 19 -1.763 -0.757 -2.029 1.00 0.00 H new ATOM 0 HE1 MET A 19 -4.266 2.267 -3.901 1.00 0.00 H new ATOM 0 HE2 MET A 19 -4.118 0.606 -4.524 1.00 0.00 H new ATOM 0 HE3 MET A 19 -5.548 1.076 -3.575 1.00 0.00 H new ATOM 291 N ARG A 20 -1.950 -0.070 -6.744 1.00 0.00 N ATOM 292 CA ARG A 20 -2.865 -0.426 -7.821 1.00 0.00 C ATOM 293 C ARG A 20 -2.289 -1.555 -8.672 1.00 0.00 C ATOM 294 O ARG A 20 -2.965 -2.547 -8.942 1.00 0.00 O ATOM 295 CB ARG A 20 -3.153 0.793 -8.699 1.00 0.00 C ATOM 296 CG ARG A 20 -4.349 1.607 -8.236 1.00 0.00 C ATOM 297 CD ARG A 20 -5.638 1.118 -8.876 1.00 0.00 C ATOM 298 NE ARG A 20 -6.080 -0.156 -8.313 1.00 0.00 N ATOM 299 CZ ARG A 20 -7.009 -0.922 -8.871 1.00 0.00 C ATOM 300 NH1 ARG A 20 -7.592 -0.547 -10.001 1.00 0.00 N ATOM 301 NH2 ARG A 20 -7.358 -2.068 -8.298 1.00 0.00 N ATOM 0 H ARG A 20 -1.627 0.897 -6.767 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.797 -0.770 -7.373 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.272 1.435 -8.716 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.325 0.461 -9.723 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.434 1.545 -7.151 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.194 2.657 -8.484 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.418 1.866 -8.737 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.490 1.008 -9.950 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.651 -0.474 -7.444 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.327 0.333 -10.444 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.306 -1.138 -10.427 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.912 -2.360 -7.428 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.072 -2.656 -8.727 1.00 0.00 H new ATOM 315 N GLU A 21 -1.038 -1.393 -9.092 1.00 0.00 N ATOM 316 CA GLU A 21 -0.374 -2.398 -9.914 1.00 0.00 C ATOM 317 C GLU A 21 -0.300 -3.736 -9.184 1.00 0.00 C ATOM 318 O GLU A 21 -0.731 -4.764 -9.706 1.00 0.00 O ATOM 319 CB GLU A 21 1.035 -1.930 -10.290 1.00 0.00 C ATOM 320 CG GLU A 21 1.083 -1.105 -11.564 1.00 0.00 C ATOM 321 CD GLU A 21 2.487 -0.968 -12.118 1.00 0.00 C ATOM 322 OE1 GLU A 21 3.410 -0.672 -11.332 1.00 0.00 O ATOM 323 OE2 GLU A 21 2.662 -1.158 -13.340 1.00 0.00 O ATOM 0 H GLU A 21 -0.465 -0.577 -8.877 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.960 -2.533 -10.823 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.444 -1.340 -9.470 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.679 -2.802 -10.407 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.443 -1.567 -12.316 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.676 -0.113 -11.366 1.00 0.00 H new ATOM 330 N ILE A 22 0.250 -3.714 -7.974 1.00 0.00 N ATOM 331 CA ILE A 22 0.379 -4.923 -7.173 1.00 0.00 C ATOM 332 C ILE A 22 -0.963 -5.632 -7.024 1.00 0.00 C ATOM 333 O ILE A 22 -1.112 -6.791 -7.411 1.00 0.00 O ATOM 334 CB ILE A 22 0.941 -4.614 -5.773 1.00 0.00 C ATOM 335 CG1 ILE A 22 2.303 -3.926 -5.886 1.00 0.00 C ATOM 336 CG2 ILE A 22 1.054 -5.890 -4.953 1.00 0.00 C ATOM 337 CD1 ILE A 22 2.802 -3.352 -4.578 1.00 0.00 C ATOM 0 H ILE A 22 0.613 -2.872 -7.528 1.00 0.00 H new ATOM 0 HA ILE A 22 1.075 -5.576 -7.700 1.00 0.00 H new ATOM 0 HB ILE A 22 0.254 -3.938 -5.264 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.033 -4.643 -6.260 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.236 -3.125 -6.623 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.453 -5.654 -3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.068 -6.343 -4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.722 -6.588 -5.457 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.772 -2.880 -4.734 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.092 -2.610 -4.212 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.902 -4.152 -3.844 1.00 0.00 H new ATOM 349 N LYS A 23 -1.938 -4.926 -6.463 1.00 0.00 N ATOM 350 CA LYS A 23 -3.272 -5.483 -6.265 1.00 0.00 C ATOM 351 C LYS A 23 -3.813 -6.070 -7.564 1.00 0.00 C ATOM 352 O LYS A 23 -4.272 -7.211 -7.598 1.00 0.00 O ATOM 353 CB LYS A 23 -4.225 -4.407 -5.743 1.00 0.00 C ATOM 354 CG LYS A 23 -5.540 -4.961 -5.221 1.00 0.00 C ATOM 355 CD LYS A 23 -6.110 -4.093 -4.112 1.00 0.00 C ATOM 356 CE LYS A 23 -6.681 -2.794 -4.659 1.00 0.00 C ATOM 357 NZ LYS A 23 -5.649 -1.723 -4.737 1.00 0.00 N ATOM 0 H LYS A 23 -1.830 -3.966 -6.137 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.199 -6.282 -5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.731 -3.853 -4.945 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.432 -3.697 -6.544 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.258 -5.027 -6.038 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.387 -5.974 -4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.891 -4.641 -3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.329 -3.871 -3.385 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.097 -2.970 -5.651 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.502 -2.462 -4.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.114 -0.793 -4.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.020 -1.786 -3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.092 -1.841 -5.607 1.00 0.00 H new ATOM 371 N ASN A 24 -3.756 -5.282 -8.634 1.00 0.00 N ATOM 372 CA ASN A 24 -4.242 -5.724 -9.936 1.00 0.00 C ATOM 373 C ASN A 24 -3.579 -7.035 -10.347 1.00 0.00 C ATOM 374 O ASN A 24 -4.147 -7.818 -11.108 1.00 0.00 O ATOM 375 CB ASN A 24 -3.976 -4.651 -10.994 1.00 0.00 C ATOM 376 CG ASN A 24 -4.845 -4.824 -12.224 1.00 0.00 C ATOM 377 OD1 ASN A 24 -6.072 -4.779 -12.143 1.00 0.00 O ATOM 378 ND2 ASN A 24 -4.210 -5.025 -13.374 1.00 0.00 N ATOM 0 H ASN A 24 -3.378 -4.335 -8.624 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.317 -5.889 -9.858 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.155 -3.666 -10.562 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.926 -4.685 -11.286 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.742 -5.149 -14.235 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.191 -5.055 -13.395 1.00 0.00 H new ATOM 385 N GLU A 25 -2.372 -7.267 -9.837 1.00 0.00 N ATOM 386 CA GLU A 25 -1.632 -8.483 -10.152 1.00 0.00 C ATOM 387 C GLU A 25 -2.089 -9.641 -9.270 1.00 0.00 C ATOM 388 O GLU A 25 -1.968 -10.808 -9.646 1.00 0.00 O ATOM 389 CB GLU A 25 -0.130 -8.253 -9.974 1.00 0.00 C ATOM 390 CG GLU A 25 0.709 -9.496 -10.216 1.00 0.00 C ATOM 391 CD GLU A 25 0.573 -10.027 -11.630 1.00 0.00 C ATOM 392 OE1 GLU A 25 0.438 -9.204 -12.560 1.00 0.00 O ATOM 393 OE2 GLU A 25 0.601 -11.262 -11.806 1.00 0.00 O ATOM 0 H GLU A 25 -1.888 -6.629 -9.205 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.832 -8.741 -11.192 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.192 -7.468 -10.658 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.056 -7.890 -8.963 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.756 -9.267 -10.017 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.413 -10.272 -9.511 1.00 0.00 H new ATOM 400 N LEU A 26 -2.613 -9.311 -8.096 1.00 0.00 N ATOM 401 CA LEU A 26 -3.088 -10.323 -7.158 1.00 0.00 C ATOM 402 C LEU A 26 -4.510 -10.756 -7.498 1.00 0.00 C ATOM 403 O LEU A 26 -4.846 -11.939 -7.423 1.00 0.00 O ATOM 404 CB LEU A 26 -3.034 -9.786 -5.727 1.00 0.00 C ATOM 405 CG LEU A 26 -4.019 -10.411 -4.738 1.00 0.00 C ATOM 406 CD1 LEU A 26 -3.718 -11.889 -4.546 1.00 0.00 C ATOM 407 CD2 LEU A 26 -3.973 -9.678 -3.405 1.00 0.00 C ATOM 0 H LEU A 26 -2.720 -8.351 -7.770 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.435 -11.192 -7.238 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.024 -9.931 -5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.213 -8.711 -5.757 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.025 -10.317 -5.148 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.429 -12.316 -3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.803 -12.405 -5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.706 -12.007 -4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.680 -10.136 -2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.967 -9.741 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.239 -8.632 -3.556 1.00 0.00 H new ATOM 419 N LEU A 27 -5.343 -9.791 -7.872 1.00 0.00 N ATOM 420 CA LEU A 27 -6.729 -10.071 -8.227 1.00 0.00 C ATOM 421 C LEU A 27 -6.809 -10.889 -9.512 1.00 0.00 C ATOM 422 O LEU A 27 -7.651 -11.777 -9.642 1.00 0.00 O ATOM 423 CB LEU A 27 -7.509 -8.765 -8.391 1.00 0.00 C ATOM 424 CG LEU A 27 -8.114 -8.179 -7.114 1.00 0.00 C ATOM 425 CD1 LEU A 27 -8.567 -6.747 -7.347 1.00 0.00 C ATOM 426 CD2 LEU A 27 -9.275 -9.037 -6.632 1.00 0.00 C ATOM 0 H LEU A 27 -5.082 -8.807 -7.937 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.173 -10.653 -7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.844 -8.021 -8.829 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.314 -8.933 -9.106 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.347 -8.174 -6.340 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.995 -6.347 -6.428 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.713 -6.139 -7.645 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.319 -6.727 -8.136 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.693 -8.605 -5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.044 -9.075 -7.403 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.920 -10.046 -6.424 1.00 0.00 H new ATOM 438 N GLN A 28 -5.926 -10.584 -10.457 1.00 0.00 N ATOM 439 CA GLN A 28 -5.895 -11.291 -11.731 1.00 0.00 C ATOM 440 C GLN A 28 -5.148 -12.614 -11.601 1.00 0.00 C ATOM 441 O GLN A 28 -5.578 -13.636 -12.135 1.00 0.00 O ATOM 442 CB GLN A 28 -5.238 -10.423 -12.806 1.00 0.00 C ATOM 443 CG GLN A 28 -6.180 -9.405 -13.426 1.00 0.00 C ATOM 444 CD GLN A 28 -7.006 -9.986 -14.557 1.00 0.00 C ATOM 445 OE1 GLN A 28 -6.645 -11.008 -15.142 1.00 0.00 O ATOM 446 NE2 GLN A 28 -8.120 -9.337 -14.871 1.00 0.00 N ATOM 0 H GLN A 28 -5.222 -9.852 -10.364 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.923 -11.503 -12.025 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.388 -9.900 -12.369 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.845 -11.068 -13.592 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.847 -9.017 -12.656 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.601 -8.561 -13.801 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.380 -8.494 -14.359 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.716 -9.681 -15.624 1.00 0.00 H new ATOM 455 N ALA A 29 -4.025 -12.586 -10.890 1.00 0.00 N ATOM 456 CA ALA A 29 -3.218 -13.784 -10.688 1.00 0.00 C ATOM 457 C ALA A 29 -4.097 -14.994 -10.394 1.00 0.00 C ATOM 458 O ALA A 29 -4.995 -14.931 -9.556 1.00 0.00 O ATOM 459 CB ALA A 29 -2.222 -13.565 -9.560 1.00 0.00 C ATOM 0 H ALA A 29 -3.653 -11.747 -10.444 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.669 -13.982 -11.608 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.626 -14.467 -9.420 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.565 -12.732 -9.811 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.759 -13.339 -8.639 1.00 0.00 H new ATOM 465 N GLN A 30 -3.832 -16.096 -11.090 1.00 0.00 N ATOM 466 CA GLN A 30 -4.601 -17.320 -10.904 1.00 0.00 C ATOM 467 C GLN A 30 -4.104 -18.093 -9.686 1.00 0.00 C ATOM 468 O GLN A 30 -4.899 -18.593 -8.889 1.00 0.00 O ATOM 469 CB GLN A 30 -4.510 -18.199 -12.152 1.00 0.00 C ATOM 470 CG GLN A 30 -5.677 -19.163 -12.303 1.00 0.00 C ATOM 471 CD GLN A 30 -5.475 -20.151 -13.434 1.00 0.00 C ATOM 472 OE1 GLN A 30 -5.081 -19.776 -14.539 1.00 0.00 O ATOM 473 NE2 GLN A 30 -5.742 -21.424 -13.165 1.00 0.00 N ATOM 0 H GLN A 30 -3.091 -16.165 -11.787 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.642 -17.044 -10.738 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.461 -17.560 -13.034 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.581 -18.768 -12.119 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.816 -19.709 -11.370 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.591 -18.596 -12.480 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.066 -21.692 -12.236 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.623 -22.134 -13.888 1.00 0.00 H new ATOM 482 N ASN A 31 -2.787 -18.189 -9.548 1.00 0.00 N ATOM 483 CA ASN A 31 -2.185 -18.902 -8.428 1.00 0.00 C ATOM 484 C ASN A 31 -1.497 -17.933 -7.471 1.00 0.00 C ATOM 485 O ASN A 31 -0.272 -17.905 -7.350 1.00 0.00 O ATOM 486 CB ASN A 31 -1.177 -19.936 -8.935 1.00 0.00 C ATOM 487 CG ASN A 31 -1.846 -21.217 -9.396 1.00 0.00 C ATOM 488 OD1 ASN A 31 -3.038 -21.234 -9.699 1.00 0.00 O ATOM 489 ND2 ASN A 31 -1.076 -22.298 -9.449 1.00 0.00 N ATOM 0 H ASN A 31 -2.115 -17.782 -10.198 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.981 -19.415 -7.888 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.607 -19.510 -9.760 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.466 -20.166 -8.142 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.469 -23.190 -9.751 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.092 -22.236 -9.188 1.00 0.00 H new ATOM 496 N PRO A 32 -2.302 -17.118 -6.774 1.00 0.00 N ATOM 497 CA PRO A 32 -1.795 -16.133 -5.815 1.00 0.00 C ATOM 498 C PRO A 32 -1.212 -16.786 -4.566 1.00 0.00 C ATOM 499 O PRO A 32 -0.681 -16.106 -3.689 1.00 0.00 O ATOM 500 CB PRO A 32 -3.036 -15.311 -5.459 1.00 0.00 C ATOM 501 CG PRO A 32 -4.183 -16.228 -5.710 1.00 0.00 C ATOM 502 CD PRO A 32 -3.772 -17.097 -6.868 1.00 0.00 C ATOM 0 HA PRO A 32 -0.981 -15.541 -6.232 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.010 -14.985 -4.419 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.105 -14.413 -6.073 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.401 -16.830 -4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.087 -15.667 -5.945 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.194 -18.099 -6.788 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.108 -16.684 -7.819 1.00 0.00 H new ATOM 510 N SER A 33 -1.315 -18.109 -4.493 1.00 0.00 N ATOM 511 CA SER A 33 -0.801 -18.854 -3.350 1.00 0.00 C ATOM 512 C SER A 33 0.671 -18.532 -3.108 1.00 0.00 C ATOM 513 O SER A 33 1.166 -18.648 -1.989 1.00 0.00 O ATOM 514 CB SER A 33 -0.975 -20.357 -3.573 1.00 0.00 C ATOM 515 OG SER A 33 -0.326 -20.776 -4.761 1.00 0.00 O ATOM 0 H SER A 33 -1.750 -18.687 -5.212 1.00 0.00 H new ATOM 0 HA SER A 33 -1.370 -18.556 -2.469 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.569 -20.903 -2.721 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.036 -20.599 -3.630 1.00 0.00 H new ATOM 0 HG SER A 33 -0.451 -21.741 -4.879 1.00 0.00 H new ATOM 521 N GLU A 34 1.363 -18.127 -4.169 1.00 0.00 N ATOM 522 CA GLU A 34 2.778 -17.789 -4.074 1.00 0.00 C ATOM 523 C GLU A 34 2.970 -16.279 -3.959 1.00 0.00 C ATOM 524 O GLU A 34 3.856 -15.806 -3.244 1.00 0.00 O ATOM 525 CB GLU A 34 3.536 -18.319 -5.292 1.00 0.00 C ATOM 526 CG GLU A 34 3.677 -19.832 -5.309 1.00 0.00 C ATOM 527 CD GLU A 34 4.827 -20.301 -6.179 1.00 0.00 C ATOM 528 OE1 GLU A 34 5.991 -20.152 -5.754 1.00 0.00 O ATOM 529 OE2 GLU A 34 4.562 -20.816 -7.286 1.00 0.00 O ATOM 0 H GLU A 34 0.967 -18.025 -5.103 1.00 0.00 H new ATOM 0 HA GLU A 34 3.177 -18.259 -3.175 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.020 -18.000 -6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.529 -17.870 -5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.827 -20.191 -4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.749 -20.276 -5.670 1.00 0.00 H new ATOM 536 N LEU A 35 2.135 -15.527 -4.668 1.00 0.00 N ATOM 537 CA LEU A 35 2.212 -14.070 -4.648 1.00 0.00 C ATOM 538 C LEU A 35 2.078 -13.538 -3.225 1.00 0.00 C ATOM 539 O LEU A 35 2.772 -12.598 -2.835 1.00 0.00 O ATOM 540 CB LEU A 35 1.121 -13.469 -5.534 1.00 0.00 C ATOM 541 CG LEU A 35 1.493 -13.245 -7.000 1.00 0.00 C ATOM 542 CD1 LEU A 35 0.255 -13.302 -7.881 1.00 0.00 C ATOM 543 CD2 LEU A 35 2.212 -11.914 -7.170 1.00 0.00 C ATOM 0 H LEU A 35 1.397 -15.902 -5.264 1.00 0.00 H new ATOM 0 HA LEU A 35 3.188 -13.777 -5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.250 -14.123 -5.497 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.820 -12.513 -5.106 1.00 0.00 H new ATOM 0 HG LEU A 35 2.169 -14.042 -7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.540 -13.140 -8.920 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.217 -14.279 -7.782 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.447 -12.527 -7.573 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.469 -11.771 -8.219 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.560 -11.104 -6.843 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.122 -11.913 -6.570 1.00 0.00 H new ATOM 555 N TYR A 36 1.184 -14.145 -2.453 1.00 0.00 N ATOM 556 CA TYR A 36 0.958 -13.732 -1.073 1.00 0.00 C ATOM 557 C TYR A 36 2.258 -13.268 -0.424 1.00 0.00 C ATOM 558 O TYR A 36 2.390 -12.108 -0.031 1.00 0.00 O ATOM 559 CB TYR A 36 0.355 -14.884 -0.266 1.00 0.00 C ATOM 560 CG TYR A 36 -1.053 -15.244 -0.685 1.00 0.00 C ATOM 561 CD1 TYR A 36 -2.018 -14.260 -0.865 1.00 0.00 C ATOM 562 CD2 TYR A 36 -1.417 -16.567 -0.900 1.00 0.00 C ATOM 563 CE1 TYR A 36 -3.306 -14.585 -1.245 1.00 0.00 C ATOM 564 CE2 TYR A 36 -2.702 -16.901 -1.283 1.00 0.00 C ATOM 565 CZ TYR A 36 -3.643 -15.906 -1.454 1.00 0.00 C ATOM 566 OH TYR A 36 -4.924 -16.234 -1.834 1.00 0.00 O ATOM 0 H TYR A 36 0.603 -14.926 -2.760 1.00 0.00 H new ATOM 0 HA TYR A 36 0.258 -12.897 -1.080 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.992 -15.762 -0.370 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.353 -14.615 0.790 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.757 -13.224 -0.705 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.683 -17.348 -0.766 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.045 -13.809 -1.378 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.968 -17.935 -1.448 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.995 -17.206 -1.940 1.00 0.00 H new ATOM 576 N LEU A 37 3.217 -14.181 -0.316 1.00 0.00 N ATOM 577 CA LEU A 37 4.508 -13.867 0.285 1.00 0.00 C ATOM 578 C LEU A 37 5.131 -12.640 -0.373 1.00 0.00 C ATOM 579 O LEU A 37 5.636 -11.747 0.309 1.00 0.00 O ATOM 580 CB LEU A 37 5.456 -15.061 0.159 1.00 0.00 C ATOM 581 CG LEU A 37 4.968 -16.373 0.776 1.00 0.00 C ATOM 582 CD1 LEU A 37 5.882 -17.522 0.379 1.00 0.00 C ATOM 583 CD2 LEU A 37 4.886 -16.251 2.291 1.00 0.00 C ATOM 0 H LEU A 37 3.125 -15.145 -0.637 1.00 0.00 H new ATOM 0 HA LEU A 37 4.345 -13.649 1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.654 -15.232 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.406 -14.796 0.623 1.00 0.00 H new ATOM 0 HG LEU A 37 3.969 -16.583 0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.519 -18.447 0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.889 -17.623 -0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.894 -17.321 0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.537 -17.193 2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.873 -16.017 2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.189 -15.455 2.555 1.00 0.00 H new ATOM 595 N SER A 38 5.088 -12.599 -1.701 1.00 0.00 N ATOM 596 CA SER A 38 5.648 -11.481 -2.450 1.00 0.00 C ATOM 597 C SER A 38 4.805 -10.224 -2.264 1.00 0.00 C ATOM 598 O SER A 38 5.210 -9.287 -1.578 1.00 0.00 O ATOM 599 CB SER A 38 5.739 -11.832 -3.937 1.00 0.00 C ATOM 600 OG SER A 38 6.964 -12.482 -4.233 1.00 0.00 O ATOM 0 H SER A 38 4.671 -13.328 -2.280 1.00 0.00 H new ATOM 0 HA SER A 38 6.649 -11.285 -2.067 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.905 -12.477 -4.213 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.651 -10.924 -4.534 1.00 0.00 H new ATOM 0 HG SER A 38 6.997 -12.697 -5.188 1.00 0.00 H new ATOM 606 N SER A 39 3.627 -10.213 -2.880 1.00 0.00 N ATOM 607 CA SER A 39 2.726 -9.070 -2.786 1.00 0.00 C ATOM 608 C SER A 39 2.819 -8.416 -1.410 1.00 0.00 C ATOM 609 O SER A 39 2.772 -7.192 -1.287 1.00 0.00 O ATOM 610 CB SER A 39 1.285 -9.505 -3.059 1.00 0.00 C ATOM 611 OG SER A 39 0.864 -10.487 -2.127 1.00 0.00 O ATOM 0 H SER A 39 3.274 -10.982 -3.449 1.00 0.00 H new ATOM 0 HA SER A 39 3.026 -8.340 -3.538 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.624 -8.640 -3.004 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.207 -9.902 -4.071 1.00 0.00 H new ATOM 0 HG SER A 39 1.435 -11.280 -2.207 1.00 0.00 H new ATOM 617 N LYS A 40 2.953 -9.241 -0.378 1.00 0.00 N ATOM 618 CA LYS A 40 3.055 -8.747 0.990 1.00 0.00 C ATOM 619 C LYS A 40 4.399 -8.063 1.222 1.00 0.00 C ATOM 620 O LYS A 40 4.459 -6.862 1.485 1.00 0.00 O ATOM 621 CB LYS A 40 2.878 -9.896 1.984 1.00 0.00 C ATOM 622 CG LYS A 40 2.352 -9.453 3.339 1.00 0.00 C ATOM 623 CD LYS A 40 1.644 -10.587 4.061 1.00 0.00 C ATOM 624 CE LYS A 40 1.428 -10.261 5.531 1.00 0.00 C ATOM 625 NZ LYS A 40 1.007 -11.461 6.308 1.00 0.00 N ATOM 0 H LYS A 40 2.994 -10.257 -0.463 1.00 0.00 H new ATOM 0 HA LYS A 40 2.262 -8.015 1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.193 -10.630 1.560 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.836 -10.397 2.122 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.179 -9.091 3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.664 -8.618 3.208 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.683 -10.779 3.585 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.232 -11.500 3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.349 -9.859 5.953 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.669 -9.484 5.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.870 -11.198 7.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.115 -11.830 5.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.742 -12.193 6.241 1.00 0.00 H new ATOM 639 N THR A 41 5.477 -8.835 1.120 1.00 0.00 N ATOM 640 CA THR A 41 6.818 -8.303 1.319 1.00 0.00 C ATOM 641 C THR A 41 6.955 -6.913 0.710 1.00 0.00 C ATOM 642 O THR A 41 7.332 -5.961 1.392 1.00 0.00 O ATOM 643 CB THR A 41 7.886 -9.228 0.705 1.00 0.00 C ATOM 644 OG1 THR A 41 7.776 -10.543 1.263 1.00 0.00 O ATOM 645 CG2 THR A 41 9.284 -8.682 0.952 1.00 0.00 C ATOM 0 H THR A 41 5.446 -9.831 0.901 1.00 0.00 H new ATOM 0 HA THR A 41 6.976 -8.241 2.396 1.00 0.00 H new ATOM 0 HB THR A 41 7.717 -9.275 -0.371 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.261 -11.114 0.655 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.020 -9.353 0.509 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.374 -7.694 0.499 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.461 -8.607 2.025 1.00 0.00 H new ATOM 653 N GLU A 42 6.647 -6.803 -0.579 1.00 0.00 N ATOM 654 CA GLU A 42 6.735 -5.528 -1.279 1.00 0.00 C ATOM 655 C GLU A 42 5.822 -4.489 -0.635 1.00 0.00 C ATOM 656 O GLU A 42 6.269 -3.409 -0.247 1.00 0.00 O ATOM 657 CB GLU A 42 6.366 -5.703 -2.754 1.00 0.00 C ATOM 658 CG GLU A 42 6.541 -4.441 -3.579 1.00 0.00 C ATOM 659 CD GLU A 42 7.973 -4.238 -4.037 1.00 0.00 C ATOM 660 OE1 GLU A 42 8.403 -4.948 -4.970 1.00 0.00 O ATOM 661 OE2 GLU A 42 8.662 -3.369 -3.463 1.00 0.00 O ATOM 0 H GLU A 42 6.334 -7.582 -1.159 1.00 0.00 H new ATOM 0 HA GLU A 42 7.764 -5.175 -1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.981 -6.495 -3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.329 -6.032 -2.824 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.888 -4.487 -4.450 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.226 -3.580 -2.990 1.00 0.00 H new ATOM 668 N LEU A 43 4.541 -4.823 -0.525 1.00 0.00 N ATOM 669 CA LEU A 43 3.564 -3.920 0.072 1.00 0.00 C ATOM 670 C LEU A 43 4.148 -3.210 1.289 1.00 0.00 C ATOM 671 O LEU A 43 3.923 -2.018 1.493 1.00 0.00 O ATOM 672 CB LEU A 43 2.305 -4.691 0.472 1.00 0.00 C ATOM 673 CG LEU A 43 1.224 -4.816 -0.603 1.00 0.00 C ATOM 674 CD1 LEU A 43 0.197 -5.865 -0.207 1.00 0.00 C ATOM 675 CD2 LEU A 43 0.551 -3.472 -0.842 1.00 0.00 C ATOM 0 H LEU A 43 4.155 -5.712 -0.841 1.00 0.00 H new ATOM 0 HA LEU A 43 3.301 -3.168 -0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.600 -5.694 0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.867 -4.205 1.344 1.00 0.00 H new ATOM 0 HG LEU A 43 1.698 -5.133 -1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.564 -5.940 -0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.690 -6.830 -0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.272 -5.578 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.215 -3.580 -1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.091 -3.126 0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.295 -2.746 -1.171 1.00 0.00 H new ATOM 687 N GLN A 44 4.902 -3.952 2.094 1.00 0.00 N ATOM 688 CA GLN A 44 5.521 -3.394 3.290 1.00 0.00 C ATOM 689 C GLN A 44 6.465 -2.252 2.932 1.00 0.00 C ATOM 690 O GLN A 44 6.299 -1.126 3.400 1.00 0.00 O ATOM 691 CB GLN A 44 6.282 -4.481 4.051 1.00 0.00 C ATOM 692 CG GLN A 44 5.377 -5.458 4.785 1.00 0.00 C ATOM 693 CD GLN A 44 6.152 -6.537 5.513 1.00 0.00 C ATOM 694 OE1 GLN A 44 7.323 -6.358 5.849 1.00 0.00 O ATOM 695 NE2 GLN A 44 5.502 -7.668 5.761 1.00 0.00 N ATOM 0 H GLN A 44 5.099 -4.941 1.939 1.00 0.00 H new ATOM 0 HA GLN A 44 4.730 -3.000 3.928 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.907 -5.034 3.350 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.951 -4.009 4.770 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.763 -4.911 5.501 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.697 -5.923 4.072 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.532 -7.774 5.465 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.973 -8.431 6.248 1.00 0.00 H new ATOM 704 N GLY A 45 7.458 -2.549 2.098 1.00 0.00 N ATOM 705 CA GLY A 45 8.414 -1.536 1.692 1.00 0.00 C ATOM 706 C GLY A 45 7.749 -0.223 1.332 1.00 0.00 C ATOM 707 O GLY A 45 8.210 0.846 1.737 1.00 0.00 O ATOM 0 H GLY A 45 7.617 -3.473 1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.127 -1.369 2.499 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.982 -1.899 0.835 1.00 0.00 H new ATOM 711 N LEU A 46 6.665 -0.299 0.569 1.00 0.00 N ATOM 712 CA LEU A 46 5.936 0.894 0.154 1.00 0.00 C ATOM 713 C LEU A 46 5.512 1.722 1.362 1.00 0.00 C ATOM 714 O LEU A 46 6.019 2.823 1.580 1.00 0.00 O ATOM 715 CB LEU A 46 4.706 0.504 -0.669 1.00 0.00 C ATOM 716 CG LEU A 46 4.950 -0.472 -1.820 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.630 -0.969 -2.388 1.00 0.00 C ATOM 718 CD2 LEU A 46 5.787 0.185 -2.909 1.00 0.00 C ATOM 0 H LEU A 46 6.271 -1.175 0.225 1.00 0.00 H new ATOM 0 HA LEU A 46 6.601 1.499 -0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.969 0.065 0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.264 1.413 -1.077 1.00 0.00 H new ATOM 0 HG LEU A 46 5.501 -1.329 -1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.824 -1.663 -3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.066 -1.478 -1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.052 -0.123 -2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.951 -0.525 -3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.263 1.060 -3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.748 0.490 -2.495 1.00 0.00 H new ATOM 730 N ILE A 47 4.582 1.186 2.144 1.00 0.00 N ATOM 731 CA ILE A 47 4.093 1.874 3.332 1.00 0.00 C ATOM 732 C ILE A 47 5.211 2.656 4.013 1.00 0.00 C ATOM 733 O ILE A 47 5.069 3.845 4.295 1.00 0.00 O ATOM 734 CB ILE A 47 3.483 0.886 4.343 1.00 0.00 C ATOM 735 CG1 ILE A 47 2.202 0.269 3.778 1.00 0.00 C ATOM 736 CG2 ILE A 47 3.201 1.587 5.664 1.00 0.00 C ATOM 737 CD1 ILE A 47 1.739 -0.958 4.531 1.00 0.00 C ATOM 0 H ILE A 47 4.152 0.277 1.976 1.00 0.00 H new ATOM 0 HA ILE A 47 3.319 2.566 3.000 1.00 0.00 H new ATOM 0 HB ILE A 47 4.200 0.085 4.524 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.409 1.017 3.796 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.366 0.004 2.734 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.770 0.876 6.369 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.131 1.983 6.071 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.500 2.405 5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.826 -1.342 4.075 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.514 -1.723 4.491 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.542 -0.694 5.570 1.00 0.00 H new ATOM 749 N GLY A 48 6.326 1.978 4.274 1.00 0.00 N ATOM 750 CA GLY A 48 7.453 2.627 4.919 1.00 0.00 C ATOM 751 C GLY A 48 7.601 4.078 4.509 1.00 0.00 C ATOM 752 O GLY A 48 7.818 4.948 5.351 1.00 0.00 O ATOM 0 H GLY A 48 6.468 0.993 4.051 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.331 2.569 6.001 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.368 2.088 4.672 1.00 0.00 H new ATOM 756 N GLN A 49 7.484 4.339 3.211 1.00 0.00 N ATOM 757 CA GLN A 49 7.608 5.695 2.691 1.00 0.00 C ATOM 758 C GLN A 49 6.609 6.631 3.365 1.00 0.00 C ATOM 759 O GLN A 49 6.976 7.700 3.852 1.00 0.00 O ATOM 760 CB GLN A 49 7.392 5.706 1.176 1.00 0.00 C ATOM 761 CG GLN A 49 8.534 5.075 0.395 1.00 0.00 C ATOM 762 CD GLN A 49 8.558 5.512 -1.057 1.00 0.00 C ATOM 763 OE1 GLN A 49 9.201 6.500 -1.409 1.00 0.00 O ATOM 764 NE2 GLN A 49 7.855 4.774 -1.909 1.00 0.00 N ATOM 0 H GLN A 49 7.304 3.629 2.501 1.00 0.00 H new ATOM 0 HA GLN A 49 8.615 6.049 2.910 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.468 5.176 0.945 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.260 6.736 0.843 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.481 5.339 0.866 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.446 3.990 0.443 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.336 3.963 -1.573 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.834 5.019 -2.899 1.00 0.00 H new ATOM 773 N LEU A 50 5.346 6.220 3.390 1.00 0.00 N ATOM 774 CA LEU A 50 4.293 7.021 4.004 1.00 0.00 C ATOM 775 C LEU A 50 4.824 7.780 5.217 1.00 0.00 C ATOM 776 O LEU A 50 4.561 8.971 5.381 1.00 0.00 O ATOM 777 CB LEU A 50 3.122 6.129 4.417 1.00 0.00 C ATOM 778 CG LEU A 50 2.277 5.559 3.277 1.00 0.00 C ATOM 779 CD1 LEU A 50 1.353 4.467 3.793 1.00 0.00 C ATOM 780 CD2 LEU A 50 1.478 6.663 2.602 1.00 0.00 C ATOM 0 H LEU A 50 5.026 5.337 2.992 1.00 0.00 H new ATOM 0 HA LEU A 50 3.946 7.747 3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.514 5.297 5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.469 6.703 5.075 1.00 0.00 H new ATOM 0 HG LEU A 50 2.947 5.120 2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.759 4.073 2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.947 3.664 4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.689 4.881 4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.883 6.239 1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.818 7.132 3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.160 7.410 2.197 1.00 0.00 H new ATOM 792 N ASP A 51 5.573 7.081 6.063 1.00 0.00 N ATOM 793 CA ASP A 51 6.144 7.688 7.259 1.00 0.00 C ATOM 794 C ASP A 51 6.933 8.945 6.908 1.00 0.00 C ATOM 795 O ASP A 51 6.740 10.000 7.511 1.00 0.00 O ATOM 796 CB ASP A 51 7.048 6.689 7.983 1.00 0.00 C ATOM 797 CG ASP A 51 8.104 7.371 8.831 1.00 0.00 C ATOM 798 OD1 ASP A 51 7.858 8.510 9.279 1.00 0.00 O ATOM 799 OD2 ASP A 51 9.175 6.766 9.043 1.00 0.00 O ATOM 0 H ASP A 51 5.799 6.094 5.942 1.00 0.00 H new ATOM 0 HA ASP A 51 5.324 7.969 7.920 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.438 6.045 8.616 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.535 6.046 7.249 1.00 0.00 H new ATOM 804 N GLU A 52 7.823 8.824 5.928 1.00 0.00 N ATOM 805 CA GLU A 52 8.643 9.950 5.498 1.00 0.00 C ATOM 806 C GLU A 52 7.829 11.241 5.484 1.00 0.00 C ATOM 807 O GLU A 52 8.250 12.260 6.034 1.00 0.00 O ATOM 808 CB GLU A 52 9.223 9.685 4.107 1.00 0.00 C ATOM 809 CG GLU A 52 10.265 8.580 4.082 1.00 0.00 C ATOM 810 CD GLU A 52 11.386 8.812 5.078 1.00 0.00 C ATOM 811 OE1 GLU A 52 11.781 9.983 5.262 1.00 0.00 O ATOM 812 OE2 GLU A 52 11.867 7.824 5.671 1.00 0.00 O ATOM 0 H GLU A 52 7.994 7.958 5.417 1.00 0.00 H new ATOM 0 HA GLU A 52 9.461 10.064 6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.411 9.423 3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.671 10.604 3.728 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.783 7.627 4.299 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.685 8.504 3.079 1.00 0.00 H new ATOM 819 N VAL A 53 6.661 11.191 4.852 1.00 0.00 N ATOM 820 CA VAL A 53 5.788 12.355 4.766 1.00 0.00 C ATOM 821 C VAL A 53 5.135 12.652 6.112 1.00 0.00 C ATOM 822 O VAL A 53 4.518 11.779 6.721 1.00 0.00 O ATOM 823 CB VAL A 53 4.687 12.154 3.707 1.00 0.00 C ATOM 824 CG1 VAL A 53 3.983 13.471 3.413 1.00 0.00 C ATOM 825 CG2 VAL A 53 5.272 11.557 2.437 1.00 0.00 C ATOM 0 H VAL A 53 6.297 10.356 4.392 1.00 0.00 H new ATOM 0 HA VAL A 53 6.413 13.199 4.474 1.00 0.00 H new ATOM 0 HB VAL A 53 3.949 11.455 4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.209 13.310 2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.529 13.853 4.327 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.707 14.195 3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.480 11.422 1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.031 12.229 2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.725 10.592 2.664 1.00 0.00 H new ATOM 835 N SER A 54 5.275 13.892 6.570 1.00 0.00 N ATOM 836 CA SER A 54 4.702 14.305 7.846 1.00 0.00 C ATOM 837 C SER A 54 3.560 15.295 7.633 1.00 0.00 C ATOM 838 O SER A 54 3.584 16.098 6.698 1.00 0.00 O ATOM 839 CB SER A 54 5.778 14.934 8.732 1.00 0.00 C ATOM 840 OG SER A 54 5.314 15.094 10.061 1.00 0.00 O ATOM 0 H SER A 54 5.780 14.628 6.077 1.00 0.00 H new ATOM 0 HA SER A 54 4.305 13.419 8.342 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.670 14.307 8.728 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.068 15.903 8.325 1.00 0.00 H new ATOM 0 HG SER A 54 6.021 15.496 10.608 1.00 0.00 H new ATOM 846 N LEU A 55 2.562 15.234 8.507 1.00 0.00 N ATOM 847 CA LEU A 55 1.410 16.124 8.417 1.00 0.00 C ATOM 848 C LEU A 55 1.839 17.531 8.015 1.00 0.00 C ATOM 849 O LEU A 55 2.438 18.257 8.808 1.00 0.00 O ATOM 850 CB LEU A 55 0.668 16.167 9.754 1.00 0.00 C ATOM 851 CG LEU A 55 0.056 14.847 10.225 1.00 0.00 C ATOM 852 CD1 LEU A 55 -0.244 14.899 11.715 1.00 0.00 C ATOM 853 CD2 LEU A 55 -1.206 14.533 9.436 1.00 0.00 C ATOM 0 H LEU A 55 2.527 14.577 9.287 1.00 0.00 H new ATOM 0 HA LEU A 55 0.741 15.735 7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.360 16.517 10.520 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.128 16.908 9.681 1.00 0.00 H new ATOM 0 HG LEU A 55 0.779 14.050 10.048 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.679 13.951 12.032 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.679 15.077 12.266 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.948 15.706 11.916 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.628 13.590 9.785 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.934 15.332 9.580 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.962 14.452 8.377 1.00 0.00 H new ATOM 865 N GLU A 56 1.526 17.909 6.780 1.00 0.00 N ATOM 866 CA GLU A 56 1.879 19.231 6.274 1.00 0.00 C ATOM 867 C GLU A 56 0.797 20.251 6.616 1.00 0.00 C ATOM 868 O GLU A 56 -0.222 19.914 7.219 1.00 0.00 O ATOM 869 CB GLU A 56 2.089 19.181 4.759 1.00 0.00 C ATOM 870 CG GLU A 56 3.405 18.544 4.347 1.00 0.00 C ATOM 871 CD GLU A 56 4.610 19.293 4.884 1.00 0.00 C ATOM 872 OE1 GLU A 56 4.676 20.526 4.691 1.00 0.00 O ATOM 873 OE2 GLU A 56 5.486 18.648 5.497 1.00 0.00 O ATOM 0 H GLU A 56 1.029 17.320 6.112 1.00 0.00 H new ATOM 0 HA GLU A 56 2.808 19.540 6.753 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.268 18.625 4.305 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.046 20.195 4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.433 17.514 4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.461 18.506 3.259 1.00 0.00 H new ATOM 880 N LYS A 57 1.026 21.500 6.227 1.00 0.00 N ATOM 881 CA LYS A 57 0.073 22.572 6.491 1.00 0.00 C ATOM 882 C LYS A 57 -1.252 22.307 5.783 1.00 0.00 C ATOM 883 O LYS A 57 -2.322 22.551 6.338 1.00 0.00 O ATOM 884 CB LYS A 57 0.646 23.916 6.036 1.00 0.00 C ATOM 885 CG LYS A 57 1.069 23.935 4.578 1.00 0.00 C ATOM 886 CD LYS A 57 1.483 25.329 4.136 1.00 0.00 C ATOM 887 CE LYS A 57 2.832 25.721 4.719 1.00 0.00 C ATOM 888 NZ LYS A 57 3.448 26.855 3.976 1.00 0.00 N ATOM 0 H LYS A 57 1.864 21.796 5.727 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.109 22.607 7.565 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.100 24.693 6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.506 24.164 6.658 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.899 23.244 4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.246 23.584 3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.531 25.368 3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.727 26.050 4.448 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.709 25.997 5.766 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.503 24.862 4.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.366 27.092 4.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.589 26.583 2.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.820 27.683 4.023 1.00 0.00 H new ATOM 902 N ASN A 58 -1.172 21.806 4.554 1.00 0.00 N ATOM 903 CA ASN A 58 -2.365 21.507 3.771 1.00 0.00 C ATOM 904 C ASN A 58 -3.041 20.234 4.273 1.00 0.00 C ATOM 905 O ASN A 58 -2.388 19.285 4.710 1.00 0.00 O ATOM 906 CB ASN A 58 -2.005 21.357 2.292 1.00 0.00 C ATOM 907 CG ASN A 58 -1.759 22.693 1.618 1.00 0.00 C ATOM 908 OD1 ASN A 58 -1.364 23.663 2.265 1.00 0.00 O ATOM 909 ND2 ASN A 58 -1.994 22.749 0.313 1.00 0.00 N ATOM 0 H ASN A 58 -0.293 21.599 4.079 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.062 22.337 3.886 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.114 20.737 2.199 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.811 20.836 1.776 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.848 23.622 -0.195 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.321 21.919 -0.182 1.00 0.00 H new ATOM 916 N PRO A 59 -4.381 20.212 4.211 1.00 0.00 N ATOM 917 CA PRO A 59 -5.174 19.061 4.653 1.00 0.00 C ATOM 918 C PRO A 59 -5.013 17.857 3.733 1.00 0.00 C ATOM 919 O PRO A 59 -4.853 16.727 4.195 1.00 0.00 O ATOM 920 CB PRO A 59 -6.612 19.583 4.604 1.00 0.00 C ATOM 921 CG PRO A 59 -6.585 20.677 3.593 1.00 0.00 C ATOM 922 CD PRO A 59 -5.223 21.307 3.702 1.00 0.00 C ATOM 0 HA PRO A 59 -4.866 18.708 5.637 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.309 18.796 4.317 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.932 19.952 5.578 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.755 20.286 2.590 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.370 21.408 3.788 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.870 21.670 2.737 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.228 22.159 4.381 1.00 0.00 H new ATOM 930 N CYS A 60 -5.055 18.106 2.428 1.00 0.00 N ATOM 931 CA CYS A 60 -4.913 17.040 1.442 1.00 0.00 C ATOM 932 C CYS A 60 -3.720 16.149 1.770 1.00 0.00 C ATOM 933 O CYS A 60 -3.652 14.999 1.335 1.00 0.00 O ATOM 934 CB CYS A 60 -4.753 17.632 0.040 1.00 0.00 C ATOM 935 SG CYS A 60 -3.295 18.684 -0.153 1.00 0.00 S ATOM 0 H CYS A 60 -5.186 19.035 2.029 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.816 16.430 1.471 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.699 16.818 -0.683 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.643 18.214 -0.201 1.00 0.00 H new ATOM 0 HG CYS A 60 -3.244 19.136 -1.371 1.00 0.00 H new ATOM 941 N ILE A 61 -2.781 16.689 2.541 1.00 0.00 N ATOM 942 CA ILE A 61 -1.589 15.942 2.927 1.00 0.00 C ATOM 943 C ILE A 61 -1.836 15.132 4.195 1.00 0.00 C ATOM 944 O ILE A 61 -1.371 13.999 4.320 1.00 0.00 O ATOM 945 CB ILE A 61 -0.388 16.879 3.155 1.00 0.00 C ATOM 946 CG1 ILE A 61 -0.222 17.829 1.968 1.00 0.00 C ATOM 947 CG2 ILE A 61 0.880 16.068 3.373 1.00 0.00 C ATOM 948 CD1 ILE A 61 0.493 17.206 0.790 1.00 0.00 C ATOM 0 H ILE A 61 -2.822 17.639 2.910 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.360 15.264 2.105 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.574 17.475 4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.206 18.170 1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.331 18.710 2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.721 16.743 3.533 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.757 15.428 4.247 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.072 15.450 2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.575 17.937 -0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.490 16.890 1.096 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.070 16.341 0.438 1.00 0.00 H new ATOM 960 N ARG A 62 -2.571 15.720 5.134 1.00 0.00 N ATOM 961 CA ARG A 62 -2.880 15.052 6.391 1.00 0.00 C ATOM 962 C ARG A 62 -3.915 13.951 6.183 1.00 0.00 C ATOM 963 O ARG A 62 -3.916 12.945 6.892 1.00 0.00 O ATOM 964 CB ARG A 62 -3.397 16.064 7.417 1.00 0.00 C ATOM 965 CG ARG A 62 -2.548 17.321 7.512 1.00 0.00 C ATOM 966 CD ARG A 62 -2.994 18.208 8.665 1.00 0.00 C ATOM 967 NE ARG A 62 -3.217 17.443 9.888 1.00 0.00 N ATOM 968 CZ ARG A 62 -3.903 17.905 10.928 1.00 0.00 C ATOM 969 NH1 ARG A 62 -4.430 19.121 10.892 1.00 0.00 N ATOM 970 NH2 ARG A 62 -4.063 17.149 12.007 1.00 0.00 N ATOM 0 H ARG A 62 -2.963 16.658 5.047 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.963 14.598 6.766 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.418 16.344 7.157 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.437 15.588 8.397 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.502 17.046 7.647 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.613 17.877 6.577 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.239 18.972 8.848 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.912 18.727 8.389 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.825 16.503 9.947 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.309 19.705 10.064 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.956 19.473 11.692 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.659 16.213 12.038 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.590 17.504 12.805 1.00 0.00 H new ATOM 984 N GLU A 63 -4.794 14.148 5.205 1.00 0.00 N ATOM 985 CA GLU A 63 -5.834 13.171 4.905 1.00 0.00 C ATOM 986 C GLU A 63 -5.344 12.152 3.880 1.00 0.00 C ATOM 987 O GLU A 63 -5.867 11.042 3.795 1.00 0.00 O ATOM 988 CB GLU A 63 -7.088 13.874 4.382 1.00 0.00 C ATOM 989 CG GLU A 63 -8.372 13.107 4.649 1.00 0.00 C ATOM 990 CD GLU A 63 -8.593 11.977 3.661 1.00 0.00 C ATOM 991 OE1 GLU A 63 -8.010 12.033 2.557 1.00 0.00 O ATOM 992 OE2 GLU A 63 -9.347 11.038 3.991 1.00 0.00 O ATOM 0 H GLU A 63 -4.806 14.975 4.608 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.079 12.644 5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.161 14.859 4.843 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.985 14.031 3.308 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.344 12.700 5.660 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.217 13.794 4.605 1.00 0.00 H new ATOM 999 N ALA A 64 -4.336 12.539 3.105 1.00 0.00 N ATOM 1000 CA ALA A 64 -3.774 11.659 2.087 1.00 0.00 C ATOM 1001 C ALA A 64 -2.977 10.525 2.723 1.00 0.00 C ATOM 1002 O ALA A 64 -3.290 9.350 2.529 1.00 0.00 O ATOM 1003 CB ALA A 64 -2.896 12.453 1.130 1.00 0.00 C ATOM 0 H ALA A 64 -3.892 13.455 3.162 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.598 11.219 1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.483 11.784 0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.493 13.224 0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.083 12.920 1.685 1.00 0.00 H new ATOM 1009 N ARG A 65 -1.946 10.884 3.480 1.00 0.00 N ATOM 1010 CA ARG A 65 -1.103 9.896 4.142 1.00 0.00 C ATOM 1011 C ARG A 65 -1.949 8.792 4.770 1.00 0.00 C ATOM 1012 O ARG A 65 -1.770 7.612 4.469 1.00 0.00 O ATOM 1013 CB ARG A 65 -0.242 10.565 5.214 1.00 0.00 C ATOM 1014 CG ARG A 65 0.794 9.637 5.831 1.00 0.00 C ATOM 1015 CD ARG A 65 1.723 10.387 6.774 1.00 0.00 C ATOM 1016 NE ARG A 65 2.086 11.703 6.253 1.00 0.00 N ATOM 1017 CZ ARG A 65 1.341 12.790 6.419 1.00 0.00 C ATOM 1018 NH1 ARG A 65 0.198 12.719 7.088 1.00 0.00 N ATOM 1019 NH2 ARG A 65 1.739 13.951 5.916 1.00 0.00 N ATOM 0 H ARG A 65 -1.674 11.852 3.650 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.453 9.449 3.390 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.267 11.423 4.776 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.890 10.947 6.002 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.290 8.838 6.374 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.379 9.166 5.041 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.239 10.502 7.744 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.627 9.799 6.936 1.00 0.00 H new ATOM 0 HE ARG A 65 2.959 11.792 5.733 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.111 11.828 7.477 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.372 13.555 7.214 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.618 14.009 5.401 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.166 14.785 6.044 1.00 0.00 H new ATOM 1033 N ARG A 66 -2.870 9.185 5.644 1.00 0.00 N ATOM 1034 CA ARG A 66 -3.742 8.229 6.315 1.00 0.00 C ATOM 1035 C ARG A 66 -4.366 7.263 5.312 1.00 0.00 C ATOM 1036 O ARG A 66 -4.103 6.061 5.346 1.00 0.00 O ATOM 1037 CB ARG A 66 -4.843 8.963 7.084 1.00 0.00 C ATOM 1038 CG ARG A 66 -5.344 8.205 8.302 1.00 0.00 C ATOM 1039 CD ARG A 66 -6.250 9.070 9.164 1.00 0.00 C ATOM 1040 NE ARG A 66 -6.527 8.454 10.458 1.00 0.00 N ATOM 1041 CZ ARG A 66 -7.598 8.736 11.192 1.00 0.00 C ATOM 1042 NH1 ARG A 66 -8.485 9.622 10.762 1.00 0.00 N ATOM 1043 NH2 ARG A 66 -7.781 8.133 12.360 1.00 0.00 N ATOM 0 H ARG A 66 -3.031 10.158 5.904 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.137 7.655 7.017 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.466 9.935 7.401 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.681 9.149 6.412 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.887 7.316 7.981 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.495 7.864 8.894 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.783 10.043 9.318 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.189 9.247 8.639 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.862 7.770 10.818 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.346 10.089 9.866 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.306 9.837 11.327 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.099 7.452 12.695 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.604 8.350 12.923 1.00 0.00 H new ATOM 1057 N ARG A 67 -5.192 7.798 4.419 1.00 0.00 N ATOM 1058 CA ARG A 67 -5.855 6.985 3.407 1.00 0.00 C ATOM 1059 C ARG A 67 -4.919 5.898 2.886 1.00 0.00 C ATOM 1060 O ARG A 67 -5.247 4.712 2.923 1.00 0.00 O ATOM 1061 CB ARG A 67 -6.330 7.862 2.247 1.00 0.00 C ATOM 1062 CG ARG A 67 -6.861 7.071 1.062 1.00 0.00 C ATOM 1063 CD ARG A 67 -7.435 7.987 -0.007 1.00 0.00 C ATOM 1064 NE ARG A 67 -8.507 8.831 0.512 1.00 0.00 N ATOM 1065 CZ ARG A 67 -9.292 9.578 -0.256 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -9.124 9.585 -1.571 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -10.246 10.319 0.292 1.00 0.00 N ATOM 0 H ARG A 67 -5.418 8.792 4.376 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.719 6.507 3.869 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.112 8.532 2.606 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.502 8.488 1.913 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.058 6.470 0.635 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.631 6.378 1.401 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.641 8.616 -0.409 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.815 7.386 -0.833 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.662 8.848 1.520 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.391 9.016 -1.995 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.728 10.159 -2.159 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.377 10.315 1.304 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.849 10.893 -0.298 1.00 0.00 H new ATOM 1081 N ALA A 68 -3.753 6.310 2.401 1.00 0.00 N ATOM 1082 CA ALA A 68 -2.770 5.372 1.874 1.00 0.00 C ATOM 1083 C ALA A 68 -2.504 4.242 2.863 1.00 0.00 C ATOM 1084 O ALA A 68 -2.540 3.065 2.502 1.00 0.00 O ATOM 1085 CB ALA A 68 -1.476 6.097 1.537 1.00 0.00 C ATOM 0 H ALA A 68 -3.466 7.288 2.362 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.175 4.933 0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.751 5.384 1.144 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.673 6.864 0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.075 6.564 2.437 1.00 0.00 H new ATOM 1091 N VAL A 69 -2.237 4.608 4.112 1.00 0.00 N ATOM 1092 CA VAL A 69 -1.965 3.624 5.154 1.00 0.00 C ATOM 1093 C VAL A 69 -3.016 2.520 5.156 1.00 0.00 C ATOM 1094 O VAL A 69 -2.721 1.367 4.840 1.00 0.00 O ATOM 1095 CB VAL A 69 -1.923 4.280 6.548 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -1.810 3.221 7.634 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -0.772 5.270 6.635 1.00 0.00 C ATOM 0 H VAL A 69 -2.203 5.577 4.427 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.989 3.192 4.934 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.854 4.825 6.702 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.782 3.703 8.611 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.671 2.554 7.583 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.896 2.645 7.487 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.757 5.724 7.626 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.170 4.750 6.460 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.903 6.047 5.882 1.00 0.00 H new ATOM 1107 N ILE A 70 -4.244 2.880 5.513 1.00 0.00 N ATOM 1108 CA ILE A 70 -5.340 1.920 5.554 1.00 0.00 C ATOM 1109 C ILE A 70 -5.521 1.234 4.204 1.00 0.00 C ATOM 1110 O ILE A 70 -5.499 0.007 4.113 1.00 0.00 O ATOM 1111 CB ILE A 70 -6.665 2.594 5.955 1.00 0.00 C ATOM 1112 CG1 ILE A 70 -6.519 3.289 7.311 1.00 0.00 C ATOM 1113 CG2 ILE A 70 -7.789 1.570 5.997 1.00 0.00 C ATOM 1114 CD1 ILE A 70 -5.990 4.703 7.211 1.00 0.00 C ATOM 0 H ILE A 70 -4.505 3.830 5.778 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.078 1.175 6.306 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.914 3.347 5.207 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.489 3.307 7.807 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.850 2.703 7.941 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.719 2.062 6.282 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.905 1.117 5.013 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.549 0.796 6.727 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.912 5.134 8.209 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -5.005 4.691 6.743 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -6.671 5.304 6.608 1.00 0.00 H new ATOM 1126 N GLU A 71 -5.696 2.035 3.158 1.00 0.00 N ATOM 1127 CA GLU A 71 -5.879 1.504 1.812 1.00 0.00 C ATOM 1128 C GLU A 71 -4.939 0.330 1.558 1.00 0.00 C ATOM 1129 O GLU A 71 -5.372 -0.755 1.168 1.00 0.00 O ATOM 1130 CB GLU A 71 -5.638 2.599 0.771 1.00 0.00 C ATOM 1131 CG GLU A 71 -6.884 3.397 0.426 1.00 0.00 C ATOM 1132 CD GLU A 71 -7.822 2.644 -0.499 1.00 0.00 C ATOM 1133 OE1 GLU A 71 -7.363 2.198 -1.571 1.00 0.00 O ATOM 1134 OE2 GLU A 71 -9.012 2.503 -0.151 1.00 0.00 O ATOM 0 H GLU A 71 -5.715 3.053 3.216 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.906 1.150 1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.872 3.280 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.245 2.144 -0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.413 3.653 1.344 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.591 4.335 -0.045 1.00 0.00 H new ATOM 1141 N VAL A 72 -3.648 0.554 1.782 1.00 0.00 N ATOM 1142 CA VAL A 72 -2.645 -0.485 1.578 1.00 0.00 C ATOM 1143 C VAL A 72 -2.804 -1.609 2.595 1.00 0.00 C ATOM 1144 O VAL A 72 -2.914 -2.779 2.229 1.00 0.00 O ATOM 1145 CB VAL A 72 -1.218 0.086 1.678 1.00 0.00 C ATOM 1146 CG1 VAL A 72 -0.194 -1.040 1.710 1.00 0.00 C ATOM 1147 CG2 VAL A 72 -0.941 1.035 0.522 1.00 0.00 C ATOM 0 H VAL A 72 -3.272 1.446 2.105 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.800 -0.883 0.575 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.135 0.649 2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.809 -0.618 1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.381 -1.678 2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.275 -1.632 0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.072 1.429 0.609 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.042 0.498 -0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.654 1.859 0.549 1.00 0.00 H new ATOM 1157 N GLN A 73 -2.816 -1.246 3.873 1.00 0.00 N ATOM 1158 CA GLN A 73 -2.961 -2.225 4.944 1.00 0.00 C ATOM 1159 C GLN A 73 -4.098 -3.196 4.644 1.00 0.00 C ATOM 1160 O GLN A 73 -4.052 -4.363 5.035 1.00 0.00 O ATOM 1161 CB GLN A 73 -3.216 -1.519 6.278 1.00 0.00 C ATOM 1162 CG GLN A 73 -1.945 -1.139 7.018 1.00 0.00 C ATOM 1163 CD GLN A 73 -1.050 -2.332 7.293 1.00 0.00 C ATOM 1164 OE1 GLN A 73 -1.528 -3.454 7.464 1.00 0.00 O ATOM 1165 NE2 GLN A 73 0.255 -2.097 7.339 1.00 0.00 N ATOM 0 H GLN A 73 -2.727 -0.281 4.192 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.032 -2.792 5.012 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.804 -0.619 6.097 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.816 -2.169 6.914 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.394 -0.404 6.432 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.208 -0.662 7.962 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.608 -1.152 7.192 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.905 -2.862 7.522 1.00 0.00 H new ATOM 1174 N THR A 74 -5.119 -2.707 3.946 1.00 0.00 N ATOM 1175 CA THR A 74 -6.267 -3.531 3.594 1.00 0.00 C ATOM 1176 C THR A 74 -5.829 -4.835 2.937 1.00 0.00 C ATOM 1177 O THR A 74 -6.371 -5.901 3.230 1.00 0.00 O ATOM 1178 CB THR A 74 -7.223 -2.786 2.642 1.00 0.00 C ATOM 1179 OG1 THR A 74 -7.498 -1.476 3.151 1.00 0.00 O ATOM 1180 CG2 THR A 74 -8.524 -3.554 2.471 1.00 0.00 C ATOM 0 H THR A 74 -5.173 -1.744 3.614 1.00 0.00 H new ATOM 0 HA THR A 74 -6.791 -3.754 4.523 1.00 0.00 H new ATOM 0 HB THR A 74 -6.740 -2.703 1.669 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.674 -0.946 3.151 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.182 -3.008 1.795 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.313 -4.539 2.055 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.011 -3.666 3.440 1.00 0.00 H new ATOM 1188 N LEU A 75 -4.845 -4.742 2.049 1.00 0.00 N ATOM 1189 CA LEU A 75 -4.333 -5.917 1.351 1.00 0.00 C ATOM 1190 C LEU A 75 -3.626 -6.861 2.319 1.00 0.00 C ATOM 1191 O LEU A 75 -4.021 -8.017 2.473 1.00 0.00 O ATOM 1192 CB LEU A 75 -3.370 -5.494 0.240 1.00 0.00 C ATOM 1193 CG LEU A 75 -4.006 -5.177 -1.114 1.00 0.00 C ATOM 1194 CD1 LEU A 75 -2.952 -4.702 -2.101 1.00 0.00 C ATOM 1195 CD2 LEU A 75 -4.737 -6.396 -1.658 1.00 0.00 C ATOM 0 H LEU A 75 -4.386 -3.867 1.795 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.179 -6.445 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.822 -4.614 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.639 -6.290 0.098 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.731 -4.375 -0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.423 -4.481 -3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.473 -3.802 -1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.203 -5.482 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.183 -6.152 -2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.032 -7.218 -1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.520 -6.692 -0.960 1.00 0.00 H new ATOM 1207 N ILE A 76 -2.582 -6.359 2.971 1.00 0.00 N ATOM 1208 CA ILE A 76 -1.824 -7.157 3.927 1.00 0.00 C ATOM 1209 C ILE A 76 -2.752 -7.975 4.819 1.00 0.00 C ATOM 1210 O ILE A 76 -2.565 -9.180 4.990 1.00 0.00 O ATOM 1211 CB ILE A 76 -0.926 -6.272 4.811 1.00 0.00 C ATOM 1212 CG1 ILE A 76 0.054 -5.477 3.947 1.00 0.00 C ATOM 1213 CG2 ILE A 76 -0.177 -7.124 5.825 1.00 0.00 C ATOM 1214 CD1 ILE A 76 0.703 -4.321 4.676 1.00 0.00 C ATOM 0 H ILE A 76 -2.242 -5.404 2.855 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.195 -7.832 3.347 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.556 -5.567 5.353 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.831 -6.148 3.582 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.473 -5.095 3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.454 -6.484 6.443 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.892 -7.649 6.458 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.445 -7.850 5.301 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.385 -3.803 4.002 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.066 -3.628 5.017 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.258 -4.698 5.535 1.00 0.00 H new ATOM 1226 N THR A 77 -3.755 -7.311 5.386 1.00 0.00 N ATOM 1227 CA THR A 77 -4.713 -7.976 6.260 1.00 0.00 C ATOM 1228 C THR A 77 -5.451 -9.087 5.524 1.00 0.00 C ATOM 1229 O THR A 77 -5.693 -10.159 6.078 1.00 0.00 O ATOM 1230 CB THR A 77 -5.741 -6.979 6.827 1.00 0.00 C ATOM 1231 OG1 THR A 77 -5.072 -5.947 7.560 1.00 0.00 O ATOM 1232 CG2 THR A 77 -6.738 -7.687 7.732 1.00 0.00 C ATOM 0 H THR A 77 -3.924 -6.314 5.255 1.00 0.00 H new ATOM 0 HA THR A 77 -4.143 -8.407 7.083 1.00 0.00 H new ATOM 0 HB THR A 77 -6.283 -6.536 5.992 1.00 0.00 H new ATOM 0 HG1 THR A 77 -4.675 -5.306 6.934 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.454 -6.963 8.121 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.267 -8.451 7.163 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.208 -8.155 8.562 1.00 0.00 H new ATOM 1240 N TYR A 78 -5.807 -8.825 4.271 1.00 0.00 N ATOM 1241 CA TYR A 78 -6.519 -9.803 3.458 1.00 0.00 C ATOM 1242 C TYR A 78 -5.627 -10.999 3.138 1.00 0.00 C ATOM 1243 O TYR A 78 -6.078 -12.145 3.152 1.00 0.00 O ATOM 1244 CB TYR A 78 -7.012 -9.158 2.161 1.00 0.00 C ATOM 1245 CG TYR A 78 -7.249 -10.149 1.044 1.00 0.00 C ATOM 1246 CD1 TYR A 78 -8.130 -11.212 1.206 1.00 0.00 C ATOM 1247 CD2 TYR A 78 -6.593 -10.024 -0.174 1.00 0.00 C ATOM 1248 CE1 TYR A 78 -8.349 -12.119 0.189 1.00 0.00 C ATOM 1249 CE2 TYR A 78 -6.806 -10.926 -1.198 1.00 0.00 C ATOM 1250 CZ TYR A 78 -7.685 -11.973 -1.011 1.00 0.00 C ATOM 1251 OH TYR A 78 -7.902 -12.874 -2.027 1.00 0.00 O ATOM 0 H TYR A 78 -5.614 -7.943 3.797 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.378 -10.156 4.029 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.939 -8.621 2.362 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.281 -8.420 1.831 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -8.652 -11.330 2.144 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.904 -9.206 -0.323 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.037 -12.939 0.332 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.288 -10.813 -2.139 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.358 -12.628 -2.804 1.00 0.00 H new ATOM 1261 N ILE A 79 -4.360 -10.723 2.849 1.00 0.00 N ATOM 1262 CA ILE A 79 -3.404 -11.775 2.528 1.00 0.00 C ATOM 1263 C ILE A 79 -3.229 -12.736 3.699 1.00 0.00 C ATOM 1264 O ILE A 79 -3.145 -13.950 3.513 1.00 0.00 O ATOM 1265 CB ILE A 79 -2.031 -11.191 2.148 1.00 0.00 C ATOM 1266 CG1 ILE A 79 -2.124 -10.432 0.822 1.00 0.00 C ATOM 1267 CG2 ILE A 79 -0.990 -12.297 2.059 1.00 0.00 C ATOM 1268 CD1 ILE A 79 -0.932 -9.542 0.550 1.00 0.00 C ATOM 0 H ILE A 79 -3.972 -9.780 2.831 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.808 -12.318 1.673 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.723 -10.491 2.925 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.224 -11.150 0.008 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.028 -9.824 0.824 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.025 -11.868 1.789 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.908 -12.798 3.024 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.290 -13.019 1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.066 -9.036 -0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.843 -8.800 1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.026 -10.147 0.516 1.00 0.00 H new ATOM 1280 N ASP A 80 -3.174 -12.184 4.906 1.00 0.00 N ATOM 1281 CA ASP A 80 -3.012 -12.992 6.109 1.00 0.00 C ATOM 1282 C ASP A 80 -4.164 -13.980 6.261 1.00 0.00 C ATOM 1283 O ASP A 80 -3.949 -15.171 6.491 1.00 0.00 O ATOM 1284 CB ASP A 80 -2.928 -12.094 7.345 1.00 0.00 C ATOM 1285 CG ASP A 80 -2.802 -12.888 8.630 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -3.785 -13.555 9.014 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -1.720 -12.843 9.253 1.00 0.00 O ATOM 0 H ASP A 80 -3.239 -11.181 5.077 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.084 -13.556 6.015 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.072 -11.427 7.248 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.817 -11.466 7.395 1.00 0.00 H new ATOM 1292 N LEU A 81 -5.388 -13.479 6.130 1.00 0.00 N ATOM 1293 CA LEU A 81 -6.575 -14.317 6.253 1.00 0.00 C ATOM 1294 C LEU A 81 -6.517 -15.489 5.280 1.00 0.00 C ATOM 1295 O LEU A 81 -6.652 -16.648 5.676 1.00 0.00 O ATOM 1296 CB LEU A 81 -7.836 -13.489 5.998 1.00 0.00 C ATOM 1297 CG LEU A 81 -8.139 -12.395 7.021 1.00 0.00 C ATOM 1298 CD1 LEU A 81 -9.135 -11.395 6.454 1.00 0.00 C ATOM 1299 CD2 LEU A 81 -8.667 -13.002 8.313 1.00 0.00 C ATOM 0 H LEU A 81 -5.584 -12.496 5.939 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.607 -14.713 7.268 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.749 -13.026 5.015 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.689 -14.166 5.957 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.212 -11.867 7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.339 -10.623 7.197 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.719 -10.935 5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.062 -11.909 6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.877 -12.207 9.029 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.583 -13.556 8.107 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.920 -13.678 8.729 1.00 0.00 H new ATOM 1311 N LYS A 82 -6.313 -15.183 4.003 1.00 0.00 N ATOM 1312 CA LYS A 82 -6.232 -16.210 2.971 1.00 0.00 C ATOM 1313 C LYS A 82 -5.184 -17.259 3.329 1.00 0.00 C ATOM 1314 O LYS A 82 -5.488 -18.447 3.423 1.00 0.00 O ATOM 1315 CB LYS A 82 -5.898 -15.579 1.618 1.00 0.00 C ATOM 1316 CG LYS A 82 -7.122 -15.126 0.840 1.00 0.00 C ATOM 1317 CD LYS A 82 -7.930 -16.309 0.333 1.00 0.00 C ATOM 1318 CE LYS A 82 -9.389 -15.937 0.123 1.00 0.00 C ATOM 1319 NZ LYS A 82 -9.596 -15.203 -1.156 1.00 0.00 N ATOM 0 H LYS A 82 -6.201 -14.230 3.658 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.203 -16.700 2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.242 -14.723 1.778 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.342 -16.299 1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.749 -14.502 1.477 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.811 -14.509 -0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.505 -16.666 -0.605 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -7.862 -17.130 1.046 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.998 -16.841 0.126 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.730 -15.320 0.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.557 -14.806 -1.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -8.902 -14.432 -1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.474 -15.857 -1.955 1.00 0.00 H new ATOM 1333 N GLU A 83 -3.947 -16.809 3.526 1.00 0.00 N ATOM 1334 CA GLU A 83 -2.855 -17.709 3.873 1.00 0.00 C ATOM 1335 C GLU A 83 -3.277 -18.678 4.975 1.00 0.00 C ATOM 1336 O GLU A 83 -3.151 -19.894 4.828 1.00 0.00 O ATOM 1337 CB GLU A 83 -1.630 -16.911 4.323 1.00 0.00 C ATOM 1338 CG GLU A 83 -0.774 -16.410 3.172 1.00 0.00 C ATOM 1339 CD GLU A 83 0.266 -17.422 2.734 1.00 0.00 C ATOM 1340 OE1 GLU A 83 0.840 -18.099 3.612 1.00 0.00 O ATOM 1341 OE2 GLU A 83 0.505 -17.538 1.514 1.00 0.00 O ATOM 0 H GLU A 83 -3.678 -15.828 3.451 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.598 -18.286 2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.960 -16.059 4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.019 -17.536 4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.416 -16.166 2.326 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.275 -15.488 3.470 1.00 0.00 H new ATOM 1348 N SER A 84 -3.775 -18.130 6.077 1.00 0.00 N ATOM 1349 CA SER A 84 -4.213 -18.944 7.206 1.00 0.00 C ATOM 1350 C SER A 84 -4.817 -20.259 6.724 1.00 0.00 C ATOM 1351 O SER A 84 -5.658 -20.278 5.827 1.00 0.00 O ATOM 1352 CB SER A 84 -5.234 -18.179 8.049 1.00 0.00 C ATOM 1353 OG SER A 84 -5.400 -18.782 9.320 1.00 0.00 O ATOM 0 H SER A 84 -3.886 -17.125 6.214 1.00 0.00 H new ATOM 0 HA SER A 84 -3.341 -19.168 7.821 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.907 -17.146 8.173 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.191 -18.150 7.529 1.00 0.00 H new ATOM 0 HG SER A 84 -6.056 -18.273 9.840 1.00 0.00 H new ATOM 1359 N GLY A 85 -4.380 -21.360 7.330 1.00 0.00 N ATOM 1360 CA GLY A 85 -4.887 -22.666 6.951 1.00 0.00 C ATOM 1361 C GLY A 85 -6.386 -22.783 7.143 1.00 0.00 C ATOM 1362 O GLY A 85 -7.102 -21.785 7.238 1.00 0.00 O ATOM 0 H GLY A 85 -3.684 -21.370 8.076 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.641 -22.859 5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.387 -23.432 7.543 1.00 0.00 H new ATOM 1366 N PRO A 86 -6.884 -24.028 7.199 1.00 0.00 N ATOM 1367 CA PRO A 86 -8.313 -24.301 7.380 1.00 0.00 C ATOM 1368 C PRO A 86 -8.801 -23.937 8.778 1.00 0.00 C ATOM 1369 O PRO A 86 -8.025 -23.924 9.732 1.00 0.00 O ATOM 1370 CB PRO A 86 -8.416 -25.812 7.153 1.00 0.00 C ATOM 1371 CG PRO A 86 -7.064 -26.339 7.490 1.00 0.00 C ATOM 1372 CD PRO A 86 -6.090 -25.263 7.093 1.00 0.00 C ATOM 0 HA PRO A 86 -8.930 -23.711 6.702 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -9.183 -26.256 7.787 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.684 -26.040 6.121 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.986 -26.563 8.554 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -6.862 -27.266 6.954 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -5.224 -25.242 7.754 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.715 -25.414 6.081 1.00 0.00 H new ATOM 1380 N SER A 87 -10.092 -23.642 8.891 1.00 0.00 N ATOM 1381 CA SER A 87 -10.683 -23.273 10.172 1.00 0.00 C ATOM 1382 C SER A 87 -10.249 -21.872 10.588 1.00 0.00 C ATOM 1383 O SER A 87 -10.141 -21.571 11.777 1.00 0.00 O ATOM 1384 CB SER A 87 -10.285 -24.285 11.250 1.00 0.00 C ATOM 1385 OG SER A 87 -11.186 -24.244 12.344 1.00 0.00 O ATOM 0 H SER A 87 -10.749 -23.651 8.111 1.00 0.00 H new ATOM 0 HA SER A 87 -11.767 -23.279 10.060 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.270 -25.288 10.824 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.274 -24.072 11.599 1.00 0.00 H new ATOM 0 HG SER A 87 -11.248 -23.326 12.683 1.00 0.00 H new ATOM 1391 N SER A 88 -10.000 -21.018 9.600 1.00 0.00 N ATOM 1392 CA SER A 88 -9.572 -19.649 9.862 1.00 0.00 C ATOM 1393 C SER A 88 -10.698 -18.841 10.499 1.00 0.00 C ATOM 1394 O SER A 88 -11.794 -18.741 9.948 1.00 0.00 O ATOM 1395 CB SER A 88 -9.118 -18.977 8.565 1.00 0.00 C ATOM 1396 OG SER A 88 -10.169 -18.940 7.614 1.00 0.00 O ATOM 0 H SER A 88 -10.087 -21.250 8.611 1.00 0.00 H new ATOM 0 HA SER A 88 -8.734 -19.683 10.558 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.779 -17.963 8.777 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.267 -19.517 8.150 1.00 0.00 H new ATOM 0 HG SER A 88 -11.027 -18.849 8.078 1.00 0.00 H new ATOM 1402 N GLY A 89 -10.420 -18.267 11.666 1.00 0.00 N ATOM 1403 CA GLY A 89 -11.419 -17.475 12.360 1.00 0.00 C ATOM 1404 C GLY A 89 -10.809 -16.558 13.401 1.00 0.00 C ATOM 1405 O GLY A 89 -9.589 -16.500 13.550 1.00 0.00 O ATOM 0 H GLY A 89 -9.521 -18.336 12.143 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.974 -16.879 11.635 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -12.136 -18.140 12.841 1.00 0.00 H new TER 1409 GLY A 89