USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 796 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 22 ASN : amide:sc= -0.122 K(o=0.36,f=-9.6!) USER MOD Set 1.2: A 25 THR OG1 : rot -68:sc= 0.482 USER MOD Set 2.1: A 9 CYS SG : rot -42:sc= 1.24 USER MOD Set 2.2: A 10 GLN : amide:sc= -0.0923 K(o=1.2,f=0.5) USER MOD Single : A 2 SER OG : rot -21:sc= 0.248 USER MOD Single : A 4 THR OG1 : rot 130:sc= -0.209 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0602 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot -53:sc= -0.098 USER MOD Single : A 33 SER OG : rot 46:sc= 0.12 USER MOD Single : A 36 SER OG : rot -78:sc= 1.53 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 174:sc= -0.692 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -140:sc= 0 USER MOD Single : A 50 SER OG : rot -128:sc= 0.392 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 157:sc= -0.218 (180deg=-0.838) USER MOD Single : A 68 GLN : amide:sc= -2.54 K(o=-2.5,f=-7.1!) USER MOD Single : A 70 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.12) USER MOD Single : A 75 GLN : amide:sc= -0.322 K(o=-0.32,f=-2.7) USER MOD Single : A 76 ASN : amide:sc= -0.66 K(o=-0.66,f=0) USER MOD Single : A 78 ASN : amide:sc= 0.903 K(o=0.9,f=-5.9!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 TYR OH : rot 6:sc= 0.576 USER MOD Single : A 94 GLN : amide:sc= 0.224 K(o=0.22,f=-4.9!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 -0.604 4.444 -0.833 1.00 0.00 N ATOM 19 CA SER A 2 -0.994 5.744 -1.345 1.00 0.00 C ATOM 20 C SER A 2 0.110 6.347 -2.209 1.00 0.00 C ATOM 21 O SER A 2 1.273 5.948 -2.124 1.00 0.00 O ATOM 22 CB SER A 2 -1.332 6.672 -0.177 1.00 0.00 C ATOM 23 OG SER A 2 -0.328 6.619 0.823 1.00 0.00 O ATOM 0 HA SER A 2 -1.876 5.623 -1.974 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.436 7.695 -0.539 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.293 6.387 0.252 1.00 0.00 H new ATOM 0 HG SER A 2 0.185 5.789 0.728 1.00 0.00 H new ATOM 29 N ILE A 3 -0.264 7.297 -3.046 1.00 0.00 N ATOM 30 CA ILE A 3 0.689 7.971 -3.907 1.00 0.00 C ATOM 31 C ILE A 3 1.098 9.290 -3.267 1.00 0.00 C ATOM 32 O ILE A 3 0.331 9.878 -2.504 1.00 0.00 O ATOM 33 CB ILE A 3 0.097 8.224 -5.312 1.00 0.00 C ATOM 34 CG1 ILE A 3 -0.458 6.919 -5.897 1.00 0.00 C ATOM 35 CG2 ILE A 3 1.147 8.814 -6.248 1.00 0.00 C ATOM 36 CD1 ILE A 3 0.589 5.843 -6.094 1.00 0.00 C ATOM 0 H ILE A 3 -1.226 7.620 -3.148 1.00 0.00 H new ATOM 0 HA ILE A 3 1.563 7.330 -4.026 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.716 8.943 -5.214 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.237 6.538 -5.236 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.930 7.133 -6.856 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.705 8.983 -7.230 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.504 9.761 -5.843 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.983 8.121 -6.340 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.120 4.951 -6.511 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.357 6.203 -6.779 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.045 5.599 -5.134 1.00 0.00 H new ATOM 48 N THR A 4 2.298 9.748 -3.566 1.00 0.00 N ATOM 49 CA THR A 4 2.816 10.956 -2.961 1.00 0.00 C ATOM 50 C THR A 4 2.502 12.184 -3.815 1.00 0.00 C ATOM 51 O THR A 4 1.819 12.088 -4.840 1.00 0.00 O ATOM 52 CB THR A 4 4.335 10.830 -2.752 1.00 0.00 C ATOM 53 OG1 THR A 4 4.967 10.478 -3.991 1.00 0.00 O ATOM 54 CG2 THR A 4 4.641 9.770 -1.700 1.00 0.00 C ATOM 0 H THR A 4 2.933 9.299 -4.226 1.00 0.00 H new ATOM 0 HA THR A 4 2.329 11.086 -1.995 1.00 0.00 H new ATOM 0 HB THR A 4 4.721 11.789 -2.407 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.717 11.085 -4.160 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.720 9.693 -1.564 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.175 10.050 -0.755 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.247 8.808 -2.028 1.00 0.00 H new ATOM 62 N SER A 5 2.999 13.330 -3.383 1.00 0.00 N ATOM 63 CA SER A 5 2.766 14.588 -4.069 1.00 0.00 C ATOM 64 C SER A 5 3.788 14.796 -5.188 1.00 0.00 C ATOM 65 O SER A 5 4.533 13.874 -5.529 1.00 0.00 O ATOM 66 CB SER A 5 2.812 15.732 -3.059 1.00 0.00 C ATOM 67 OG SER A 5 1.848 15.528 -2.038 1.00 0.00 O ATOM 0 H SER A 5 3.576 13.414 -2.546 1.00 0.00 H new ATOM 0 HA SER A 5 1.779 14.566 -4.532 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.808 15.799 -2.620 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.622 16.679 -3.564 1.00 0.00 H new ATOM 0 HG SER A 5 1.889 16.268 -1.396 1.00 0.00 H new ATOM 73 N THR A 6 3.812 16.009 -5.748 1.00 0.00 N ATOM 74 CA THR A 6 4.626 16.343 -6.923 1.00 0.00 C ATOM 75 C THR A 6 6.096 15.922 -6.776 1.00 0.00 C ATOM 76 O THR A 6 6.787 15.715 -7.774 1.00 0.00 O ATOM 77 CB THR A 6 4.565 17.856 -7.193 1.00 0.00 C ATOM 78 OG1 THR A 6 3.256 18.349 -6.866 1.00 0.00 O ATOM 79 CG2 THR A 6 4.877 18.166 -8.651 1.00 0.00 C ATOM 0 H THR A 6 3.263 16.794 -5.397 1.00 0.00 H new ATOM 0 HA THR A 6 4.205 15.784 -7.759 1.00 0.00 H new ATOM 0 HB THR A 6 5.314 18.347 -6.571 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.218 19.313 -7.036 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.827 19.243 -8.813 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.878 17.809 -8.893 1.00 0.00 H new ATOM 0 HG23 THR A 6 4.150 17.668 -9.292 1.00 0.00 H new ATOM 87 N ASP A 7 6.564 15.789 -5.537 1.00 0.00 N ATOM 88 CA ASP A 7 7.936 15.349 -5.256 1.00 0.00 C ATOM 89 C ASP A 7 8.254 14.018 -5.939 1.00 0.00 C ATOM 90 O ASP A 7 9.420 13.671 -6.128 1.00 0.00 O ATOM 91 CB ASP A 7 8.163 15.210 -3.750 1.00 0.00 C ATOM 92 CG ASP A 7 7.987 16.518 -3.013 1.00 0.00 C ATOM 93 OD1 ASP A 7 8.898 17.369 -3.069 1.00 0.00 O ATOM 94 OD2 ASP A 7 6.931 16.705 -2.376 1.00 0.00 O ATOM 0 H ASP A 7 6.010 15.981 -4.702 1.00 0.00 H new ATOM 0 HA ASP A 7 8.603 16.112 -5.656 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.467 14.474 -3.348 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.168 14.829 -3.571 1.00 0.00 H new ATOM 99 N ILE A 8 7.207 13.281 -6.301 1.00 0.00 N ATOM 100 CA ILE A 8 7.341 11.982 -6.953 1.00 0.00 C ATOM 101 C ILE A 8 8.243 12.052 -8.195 1.00 0.00 C ATOM 102 O ILE A 8 9.100 11.190 -8.390 1.00 0.00 O ATOM 103 CB ILE A 8 5.945 11.421 -7.333 1.00 0.00 C ATOM 104 CG1 ILE A 8 6.057 10.066 -8.036 1.00 0.00 C ATOM 105 CG2 ILE A 8 5.180 12.406 -8.207 1.00 0.00 C ATOM 106 CD1 ILE A 8 4.714 9.427 -8.308 1.00 0.00 C ATOM 0 H ILE A 8 6.240 13.569 -6.150 1.00 0.00 H new ATOM 0 HA ILE A 8 7.816 11.308 -6.241 1.00 0.00 H new ATOM 0 HB ILE A 8 5.391 11.276 -6.405 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.589 10.195 -8.979 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.655 9.393 -7.422 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.205 11.988 -8.459 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.044 13.343 -7.667 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.742 12.593 -9.122 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.861 8.470 -8.808 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.189 9.268 -7.366 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.122 10.082 -8.947 1.00 0.00 H new ATOM 118 N CYS A 9 8.071 13.084 -9.015 1.00 0.00 N ATOM 119 CA CYS A 9 8.880 13.233 -10.219 1.00 0.00 C ATOM 120 C CYS A 9 10.287 13.710 -9.868 1.00 0.00 C ATOM 121 O CYS A 9 11.254 13.398 -10.562 1.00 0.00 O ATOM 122 CB CYS A 9 8.217 14.198 -11.205 1.00 0.00 C ATOM 123 SG CYS A 9 7.985 15.875 -10.572 1.00 0.00 S ATOM 0 H CYS A 9 7.384 13.824 -8.869 1.00 0.00 H new ATOM 0 HA CYS A 9 8.957 12.256 -10.697 1.00 0.00 H new ATOM 0 HB2 CYS A 9 8.823 14.245 -12.110 1.00 0.00 H new ATOM 0 HB3 CYS A 9 7.246 13.794 -11.492 1.00 0.00 H new ATOM 0 HG CYS A 9 7.572 15.821 -9.341 1.00 0.00 H new ATOM 129 N GLN A 10 10.396 14.456 -8.774 1.00 0.00 N ATOM 130 CA GLN A 10 11.677 14.999 -8.341 1.00 0.00 C ATOM 131 C GLN A 10 12.600 13.881 -7.873 1.00 0.00 C ATOM 132 O GLN A 10 13.814 13.937 -8.068 1.00 0.00 O ATOM 133 CB GLN A 10 11.478 16.016 -7.215 1.00 0.00 C ATOM 134 CG GLN A 10 10.545 17.163 -7.577 1.00 0.00 C ATOM 135 CD GLN A 10 10.998 17.937 -8.802 1.00 0.00 C ATOM 136 OE1 GLN A 10 12.190 18.023 -9.097 1.00 0.00 O ATOM 137 NE2 GLN A 10 10.048 18.514 -9.522 1.00 0.00 N ATOM 0 H GLN A 10 9.610 14.698 -8.170 1.00 0.00 H new ATOM 0 HA GLN A 10 12.137 15.503 -9.191 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.082 15.501 -6.340 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.448 16.425 -6.933 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.545 16.767 -7.754 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.473 17.845 -6.730 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.071 18.420 -9.246 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.294 19.052 -10.353 1.00 0.00 H new ATOM 146 N ALA A 11 12.012 12.860 -7.261 1.00 0.00 N ATOM 147 CA ALA A 11 12.769 11.707 -6.793 1.00 0.00 C ATOM 148 C ALA A 11 13.344 10.918 -7.966 1.00 0.00 C ATOM 149 O ALA A 11 14.388 10.280 -7.846 1.00 0.00 O ATOM 150 CB ALA A 11 11.892 10.812 -5.932 1.00 0.00 C ATOM 0 H ALA A 11 11.010 12.808 -7.077 1.00 0.00 H new ATOM 0 HA ALA A 11 13.600 12.070 -6.188 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.472 9.955 -5.590 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.533 11.375 -5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.041 10.464 -6.518 1.00 0.00 H new ATOM 156 N ALA A 12 12.660 10.975 -9.104 1.00 0.00 N ATOM 157 CA ALA A 12 13.113 10.284 -10.305 1.00 0.00 C ATOM 158 C ALA A 12 14.352 10.959 -10.877 1.00 0.00 C ATOM 159 O ALA A 12 15.205 10.313 -11.482 1.00 0.00 O ATOM 160 CB ALA A 12 12.002 10.240 -11.342 1.00 0.00 C ATOM 0 H ALA A 12 11.789 11.493 -9.219 1.00 0.00 H new ATOM 0 HA ALA A 12 13.375 9.261 -10.036 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.356 9.721 -12.233 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.142 9.711 -10.932 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.710 11.257 -11.606 1.00 0.00 H new ATOM 166 N ASP A 13 14.453 12.261 -10.660 1.00 0.00 N ATOM 167 CA ASP A 13 15.596 13.034 -11.131 1.00 0.00 C ATOM 168 C ASP A 13 16.810 12.793 -10.236 1.00 0.00 C ATOM 169 O ASP A 13 17.953 13.018 -10.636 1.00 0.00 O ATOM 170 CB ASP A 13 15.239 14.526 -11.163 1.00 0.00 C ATOM 171 CG ASP A 13 16.402 15.406 -11.581 1.00 0.00 C ATOM 172 OD1 ASP A 13 16.747 15.416 -12.780 1.00 0.00 O ATOM 173 OD2 ASP A 13 16.967 16.106 -10.711 1.00 0.00 O ATOM 0 H ASP A 13 13.754 12.809 -10.158 1.00 0.00 H new ATOM 0 HA ASP A 13 15.848 12.711 -12.141 1.00 0.00 H new ATOM 0 HB2 ASP A 13 14.408 14.680 -11.852 1.00 0.00 H new ATOM 0 HB3 ASP A 13 14.895 14.833 -10.175 1.00 0.00 H new ATOM 178 N ALA A 14 16.553 12.292 -9.035 1.00 0.00 N ATOM 179 CA ALA A 14 17.605 12.080 -8.050 1.00 0.00 C ATOM 180 C ALA A 14 18.175 10.665 -8.126 1.00 0.00 C ATOM 181 O ALA A 14 18.951 10.256 -7.263 1.00 0.00 O ATOM 182 CB ALA A 14 17.070 12.358 -6.655 1.00 0.00 C ATOM 0 H ALA A 14 15.621 12.024 -8.719 1.00 0.00 H new ATOM 0 HA ALA A 14 18.417 12.772 -8.272 1.00 0.00 H new ATOM 0 HB1 ALA A 14 17.862 12.198 -5.923 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.725 13.390 -6.597 1.00 0.00 H new ATOM 0 HB3 ALA A 14 16.239 11.686 -6.443 1.00 0.00 H new ATOM 188 N LEU A 15 17.793 9.919 -9.156 1.00 0.00 N ATOM 189 CA LEU A 15 18.294 8.560 -9.334 1.00 0.00 C ATOM 190 C LEU A 15 19.767 8.578 -9.729 1.00 0.00 C ATOM 191 O LEU A 15 20.250 9.542 -10.326 1.00 0.00 O ATOM 192 CB LEU A 15 17.474 7.811 -10.389 1.00 0.00 C ATOM 193 CG LEU A 15 15.989 7.640 -10.059 1.00 0.00 C ATOM 194 CD1 LEU A 15 15.292 6.831 -11.142 1.00 0.00 C ATOM 195 CD2 LEU A 15 15.811 6.979 -8.702 1.00 0.00 C ATOM 0 H LEU A 15 17.142 10.229 -9.877 1.00 0.00 H new ATOM 0 HA LEU A 15 18.194 8.037 -8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.560 8.341 -11.337 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.913 6.824 -10.535 1.00 0.00 H new ATOM 0 HG LEU A 15 15.533 8.629 -10.019 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.237 6.719 -10.891 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.385 7.347 -12.098 1.00 0.00 H new ATOM 0 HD13 LEU A 15 15.754 5.846 -11.215 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.748 6.868 -8.488 1.00 0.00 H new ATOM 0 HD22 LEU A 15 16.284 5.997 -8.711 1.00 0.00 H new ATOM 0 HD23 LEU A 15 16.273 7.598 -7.933 1.00 0.00 H new ATOM 207 N LYS A 16 20.478 7.512 -9.398 1.00 0.00 N ATOM 208 CA LYS A 16 21.905 7.436 -9.672 1.00 0.00 C ATOM 209 C LYS A 16 22.208 6.366 -10.712 1.00 0.00 C ATOM 210 O LYS A 16 21.416 5.446 -10.919 1.00 0.00 O ATOM 211 CB LYS A 16 22.683 7.137 -8.389 1.00 0.00 C ATOM 212 CG LYS A 16 22.232 5.867 -7.680 1.00 0.00 C ATOM 213 CD LYS A 16 23.254 5.419 -6.650 1.00 0.00 C ATOM 214 CE LYS A 16 24.528 4.930 -7.320 1.00 0.00 C ATOM 215 NZ LYS A 16 25.601 4.644 -6.336 1.00 0.00 N ATOM 0 H LYS A 16 20.091 6.687 -8.939 1.00 0.00 H new ATOM 0 HA LYS A 16 22.217 8.403 -10.065 1.00 0.00 H new ATOM 0 HB2 LYS A 16 23.743 7.051 -8.629 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.578 7.980 -7.706 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.273 6.041 -7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 16 22.078 5.074 -8.412 1.00 0.00 H new ATOM 0 HD2 LYS A 16 23.486 6.247 -5.980 1.00 0.00 H new ATOM 0 HD3 LYS A 16 22.832 4.622 -6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 16 24.313 4.028 -7.893 1.00 0.00 H new ATOM 0 HE3 LYS A 16 24.877 5.682 -8.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 26.451 4.313 -6.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 25.826 5.510 -5.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 25.279 3.908 -5.676 1.00 0.00 H new ATOM 229 N GLY A 17 23.357 6.492 -11.360 1.00 0.00 N ATOM 230 CA GLY A 17 23.785 5.483 -12.305 1.00 0.00 C ATOM 231 C GLY A 17 23.465 5.839 -13.742 1.00 0.00 C ATOM 232 O GLY A 17 22.520 6.585 -14.023 1.00 0.00 O ATOM 0 H GLY A 17 24.000 7.276 -11.248 1.00 0.00 H new ATOM 0 HA2 GLY A 17 24.860 5.333 -12.205 1.00 0.00 H new ATOM 0 HA3 GLY A 17 23.307 4.535 -12.057 1.00 0.00 H new ATOM 236 N PHE A 18 24.252 5.298 -14.656 1.00 0.00 N ATOM 237 CA PHE A 18 24.041 5.512 -16.074 1.00 0.00 C ATOM 238 C PHE A 18 23.592 4.213 -16.717 1.00 0.00 C ATOM 239 O PHE A 18 23.844 3.132 -16.188 1.00 0.00 O ATOM 240 CB PHE A 18 25.328 6.005 -16.750 1.00 0.00 C ATOM 241 CG PHE A 18 25.892 7.264 -16.154 1.00 0.00 C ATOM 242 CD1 PHE A 18 26.799 7.205 -15.110 1.00 0.00 C ATOM 243 CD2 PHE A 18 25.521 8.504 -16.644 1.00 0.00 C ATOM 244 CE1 PHE A 18 27.325 8.359 -14.563 1.00 0.00 C ATOM 245 CE2 PHE A 18 26.043 9.663 -16.101 1.00 0.00 C ATOM 246 CZ PHE A 18 26.946 9.590 -15.059 1.00 0.00 C ATOM 0 H PHE A 18 25.050 4.702 -14.436 1.00 0.00 H new ATOM 0 HA PHE A 18 23.272 6.274 -16.201 1.00 0.00 H new ATOM 0 HB2 PHE A 18 26.081 5.219 -16.690 1.00 0.00 H new ATOM 0 HB3 PHE A 18 25.128 6.175 -17.808 1.00 0.00 H new ATOM 0 HD1 PHE A 18 27.099 6.244 -14.718 1.00 0.00 H new ATOM 0 HD2 PHE A 18 24.816 8.567 -17.460 1.00 0.00 H new ATOM 0 HE1 PHE A 18 28.032 8.298 -13.749 1.00 0.00 H new ATOM 0 HE2 PHE A 18 25.745 10.625 -16.491 1.00 0.00 H new ATOM 0 HZ PHE A 18 27.355 10.494 -14.633 1.00 0.00 H new ATOM 256 N VAL A 19 22.902 4.313 -17.833 1.00 0.00 N ATOM 257 CA VAL A 19 22.498 3.135 -18.575 1.00 0.00 C ATOM 258 C VAL A 19 23.088 3.208 -19.973 1.00 0.00 C ATOM 259 O VAL A 19 23.004 4.247 -20.627 1.00 0.00 O ATOM 260 CB VAL A 19 20.962 3.007 -18.664 1.00 0.00 C ATOM 261 CG1 VAL A 19 20.564 1.582 -19.011 1.00 0.00 C ATOM 262 CG2 VAL A 19 20.300 3.449 -17.369 1.00 0.00 C ATOM 0 H VAL A 19 22.608 5.197 -18.248 1.00 0.00 H new ATOM 0 HA VAL A 19 22.869 2.256 -18.048 1.00 0.00 H new ATOM 0 HB VAL A 19 20.614 3.666 -19.460 1.00 0.00 H new ATOM 0 HG11 VAL A 19 19.478 1.512 -19.069 1.00 0.00 H new ATOM 0 HG12 VAL A 19 20.998 1.307 -19.973 1.00 0.00 H new ATOM 0 HG13 VAL A 19 20.931 0.904 -18.240 1.00 0.00 H new ATOM 0 HG21 VAL A 19 19.219 3.348 -17.460 1.00 0.00 H new ATOM 0 HG22 VAL A 19 20.654 2.826 -16.548 1.00 0.00 H new ATOM 0 HG23 VAL A 19 20.552 4.490 -17.169 1.00 0.00 H new ATOM 272 N GLY A 20 23.699 2.124 -20.417 1.00 0.00 N ATOM 273 CA GLY A 20 24.365 2.128 -21.698 1.00 0.00 C ATOM 274 C GLY A 20 23.966 0.956 -22.567 1.00 0.00 C ATOM 275 O GLY A 20 23.807 -0.165 -22.079 1.00 0.00 O ATOM 0 H GLY A 20 23.745 1.239 -19.911 1.00 0.00 H new ATOM 0 HA2 GLY A 20 24.135 3.057 -22.220 1.00 0.00 H new ATOM 0 HA3 GLY A 20 25.444 2.109 -21.542 1.00 0.00 H new ATOM 279 N PHE A 21 23.790 1.216 -23.854 1.00 0.00 N ATOM 280 CA PHE A 21 23.440 0.169 -24.802 1.00 0.00 C ATOM 281 C PHE A 21 24.687 -0.606 -25.212 1.00 0.00 C ATOM 282 O PHE A 21 25.500 -0.130 -26.010 1.00 0.00 O ATOM 283 CB PHE A 21 22.749 0.767 -26.032 1.00 0.00 C ATOM 284 CG PHE A 21 22.264 -0.263 -27.014 1.00 0.00 C ATOM 285 CD1 PHE A 21 21.082 -0.950 -26.789 1.00 0.00 C ATOM 286 CD2 PHE A 21 22.989 -0.543 -28.163 1.00 0.00 C ATOM 287 CE1 PHE A 21 20.631 -1.895 -27.691 1.00 0.00 C ATOM 288 CE2 PHE A 21 22.543 -1.487 -29.066 1.00 0.00 C ATOM 289 CZ PHE A 21 21.363 -2.164 -28.830 1.00 0.00 C ATOM 0 H PHE A 21 23.884 2.144 -24.266 1.00 0.00 H new ATOM 0 HA PHE A 21 22.745 -0.519 -24.321 1.00 0.00 H new ATOM 0 HB2 PHE A 21 21.903 1.371 -25.704 1.00 0.00 H new ATOM 0 HB3 PHE A 21 23.443 1.439 -26.537 1.00 0.00 H new ATOM 0 HD1 PHE A 21 20.506 -0.745 -25.898 1.00 0.00 H new ATOM 0 HD2 PHE A 21 23.913 -0.017 -28.353 1.00 0.00 H new ATOM 0 HE1 PHE A 21 19.707 -2.422 -27.505 1.00 0.00 H new ATOM 0 HE2 PHE A 21 23.117 -1.696 -29.957 1.00 0.00 H new ATOM 0 HZ PHE A 21 21.013 -2.903 -29.536 1.00 0.00 H new ATOM 299 N ASN A 22 24.836 -1.794 -24.651 1.00 0.00 N ATOM 300 CA ASN A 22 25.992 -2.634 -24.926 1.00 0.00 C ATOM 301 C ASN A 22 25.679 -3.608 -26.055 1.00 0.00 C ATOM 302 O ASN A 22 24.668 -4.306 -26.020 1.00 0.00 O ATOM 303 CB ASN A 22 26.411 -3.381 -23.655 1.00 0.00 C ATOM 304 CG ASN A 22 27.544 -4.358 -23.893 1.00 0.00 C ATOM 305 OD1 ASN A 22 27.310 -5.531 -24.170 1.00 0.00 O ATOM 306 ND2 ASN A 22 28.775 -3.882 -23.794 1.00 0.00 N ATOM 0 H ASN A 22 24.167 -2.202 -23.998 1.00 0.00 H new ATOM 0 HA ASN A 22 26.824 -2.005 -25.243 1.00 0.00 H new ATOM 0 HB2 ASN A 22 26.714 -2.658 -22.898 1.00 0.00 H new ATOM 0 HB3 ASN A 22 25.551 -3.919 -23.256 1.00 0.00 H new ATOM 0 HD21 ASN A 22 29.574 -4.497 -23.950 1.00 0.00 H new ATOM 0 HD22 ASN A 22 28.925 -2.900 -23.562 1.00 0.00 H new ATOM 313 N ARG A 23 26.550 -3.651 -27.059 1.00 0.00 N ATOM 314 CA ARG A 23 26.294 -4.452 -28.255 1.00 0.00 C ATOM 315 C ARG A 23 26.768 -5.892 -28.088 1.00 0.00 C ATOM 316 O ARG A 23 26.502 -6.739 -28.936 1.00 0.00 O ATOM 317 CB ARG A 23 26.959 -3.815 -29.477 1.00 0.00 C ATOM 318 CG ARG A 23 28.478 -3.788 -29.416 1.00 0.00 C ATOM 319 CD ARG A 23 29.052 -2.920 -30.522 1.00 0.00 C ATOM 320 NE ARG A 23 28.561 -1.545 -30.434 1.00 0.00 N ATOM 321 CZ ARG A 23 28.609 -0.666 -31.431 1.00 0.00 C ATOM 322 NH1 ARG A 23 29.193 -0.985 -32.578 1.00 0.00 N ATOM 323 NH2 ARG A 23 28.091 0.545 -31.269 1.00 0.00 N ATOM 0 H ARG A 23 27.435 -3.144 -27.070 1.00 0.00 H new ATOM 0 HA ARG A 23 25.215 -4.475 -28.406 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.652 -4.360 -30.369 1.00 0.00 H new ATOM 0 HB3 ARG A 23 26.593 -2.794 -29.585 1.00 0.00 H new ATOM 0 HG2 ARG A 23 28.800 -3.408 -28.446 1.00 0.00 H new ATOM 0 HG3 ARG A 23 28.867 -4.802 -29.506 1.00 0.00 H new ATOM 0 HD2 ARG A 23 30.140 -2.923 -30.461 1.00 0.00 H new ATOM 0 HD3 ARG A 23 28.786 -3.341 -31.492 1.00 0.00 H new ATOM 0 HE ARG A 23 28.155 -1.240 -29.549 1.00 0.00 H new ATOM 0 HH11 ARG A 23 29.608 -1.909 -32.699 1.00 0.00 H new ATOM 0 HH12 ARG A 23 29.227 -0.307 -33.339 1.00 0.00 H new ATOM 0 HH21 ARG A 23 27.657 0.800 -30.382 1.00 0.00 H new ATOM 0 HH22 ARG A 23 28.126 1.221 -32.032 1.00 0.00 H new ATOM 337 N LYS A 24 27.464 -6.170 -26.996 1.00 0.00 N ATOM 338 CA LYS A 24 27.901 -7.530 -26.710 1.00 0.00 C ATOM 339 C LYS A 24 26.751 -8.325 -26.111 1.00 0.00 C ATOM 340 O LYS A 24 26.679 -9.543 -26.255 1.00 0.00 O ATOM 341 CB LYS A 24 29.101 -7.529 -25.761 1.00 0.00 C ATOM 342 CG LYS A 24 30.359 -6.931 -26.371 1.00 0.00 C ATOM 343 CD LYS A 24 30.847 -7.746 -27.559 1.00 0.00 C ATOM 344 CE LYS A 24 31.224 -9.162 -27.149 1.00 0.00 C ATOM 345 NZ LYS A 24 31.665 -9.980 -28.308 1.00 0.00 N ATOM 0 H LYS A 24 27.737 -5.479 -26.298 1.00 0.00 H new ATOM 0 HA LYS A 24 28.211 -8.000 -27.643 1.00 0.00 H new ATOM 0 HB2 LYS A 24 28.842 -6.970 -24.862 1.00 0.00 H new ATOM 0 HB3 LYS A 24 29.309 -8.553 -25.451 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.159 -5.908 -26.689 1.00 0.00 H new ATOM 0 HG3 LYS A 24 31.143 -6.883 -25.615 1.00 0.00 H new ATOM 0 HD2 LYS A 24 30.068 -7.782 -28.321 1.00 0.00 H new ATOM 0 HD3 LYS A 24 31.710 -7.255 -28.008 1.00 0.00 H new ATOM 0 HE2 LYS A 24 32.022 -9.124 -26.408 1.00 0.00 H new ATOM 0 HE3 LYS A 24 30.369 -9.641 -26.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 31.912 -10.937 -27.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 30.895 -10.039 -29.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 32.497 -9.538 -28.748 1.00 0.00 H new ATOM 359 N THR A 25 25.858 -7.618 -25.437 1.00 0.00 N ATOM 360 CA THR A 25 24.658 -8.220 -24.884 1.00 0.00 C ATOM 361 C THR A 25 23.436 -7.842 -25.717 1.00 0.00 C ATOM 362 O THR A 25 22.376 -8.467 -25.609 1.00 0.00 O ATOM 363 CB THR A 25 24.447 -7.774 -23.427 1.00 0.00 C ATOM 364 OG1 THR A 25 24.632 -6.356 -23.322 1.00 0.00 O ATOM 365 CG2 THR A 25 25.412 -8.487 -22.496 1.00 0.00 C ATOM 0 H THR A 25 25.944 -6.617 -25.259 1.00 0.00 H new ATOM 0 HA THR A 25 24.784 -9.302 -24.907 1.00 0.00 H new ATOM 0 HB THR A 25 23.430 -8.033 -23.133 1.00 0.00 H new ATOM 0 HG1 THR A 25 25.575 -6.137 -23.473 1.00 0.00 H new ATOM 0 HG21 THR A 25 25.242 -8.154 -21.472 1.00 0.00 H new ATOM 0 HG22 THR A 25 25.251 -9.563 -22.559 1.00 0.00 H new ATOM 0 HG23 THR A 25 26.437 -8.256 -22.788 1.00 0.00 H new ATOM 373 N GLY A 26 23.596 -6.802 -26.534 1.00 0.00 N ATOM 374 CA GLY A 26 22.531 -6.356 -27.412 1.00 0.00 C ATOM 375 C GLY A 26 21.363 -5.768 -26.650 1.00 0.00 C ATOM 376 O GLY A 26 20.209 -5.921 -27.057 1.00 0.00 O ATOM 0 H GLY A 26 24.455 -6.257 -26.602 1.00 0.00 H new ATOM 0 HA2 GLY A 26 22.923 -5.610 -28.104 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.183 -7.196 -28.013 1.00 0.00 H new ATOM 380 N ARG A 27 21.654 -5.087 -25.548 1.00 0.00 N ATOM 381 CA ARG A 27 20.605 -4.571 -24.682 1.00 0.00 C ATOM 382 C ARG A 27 21.070 -3.355 -23.890 1.00 0.00 C ATOM 383 O ARG A 27 22.258 -3.018 -23.874 1.00 0.00 O ATOM 384 CB ARG A 27 20.127 -5.671 -23.735 1.00 0.00 C ATOM 385 CG ARG A 27 21.238 -6.287 -22.902 1.00 0.00 C ATOM 386 CD ARG A 27 20.806 -7.619 -22.321 1.00 0.00 C ATOM 387 NE ARG A 27 20.426 -8.564 -23.371 1.00 0.00 N ATOM 388 CZ ARG A 27 19.313 -9.295 -23.344 1.00 0.00 C ATOM 389 NH1 ARG A 27 18.494 -9.219 -22.301 1.00 0.00 N ATOM 390 NH2 ARG A 27 19.025 -10.107 -24.351 1.00 0.00 N ATOM 0 H ARG A 27 22.603 -4.881 -25.235 1.00 0.00 H new ATOM 0 HA ARG A 27 19.777 -4.250 -25.314 1.00 0.00 H new ATOM 0 HB2 ARG A 27 19.370 -5.259 -23.067 1.00 0.00 H new ATOM 0 HB3 ARG A 27 19.645 -6.456 -24.318 1.00 0.00 H new ATOM 0 HG2 ARG A 27 22.126 -6.426 -23.519 1.00 0.00 H new ATOM 0 HG3 ARG A 27 21.513 -5.607 -22.096 1.00 0.00 H new ATOM 0 HD2 ARG A 27 21.619 -8.039 -21.728 1.00 0.00 H new ATOM 0 HD3 ARG A 27 19.964 -7.467 -21.645 1.00 0.00 H new ATOM 0 HE ARG A 27 21.050 -8.669 -24.171 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.718 -8.601 -21.521 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.642 -9.779 -22.280 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.656 -10.173 -25.149 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.172 -10.666 -24.328 1.00 0.00 H new ATOM 404 N TYR A 28 20.115 -2.708 -23.239 1.00 0.00 N ATOM 405 CA TYR A 28 20.369 -1.506 -22.461 1.00 0.00 C ATOM 406 C TYR A 28 20.658 -1.888 -21.008 1.00 0.00 C ATOM 407 O TYR A 28 19.750 -2.264 -20.267 1.00 0.00 O ATOM 408 CB TYR A 28 19.135 -0.598 -22.552 1.00 0.00 C ATOM 409 CG TYR A 28 19.410 0.881 -22.396 1.00 0.00 C ATOM 410 CD1 TYR A 28 20.551 1.459 -22.935 1.00 0.00 C ATOM 411 CD2 TYR A 28 18.516 1.703 -21.719 1.00 0.00 C ATOM 412 CE1 TYR A 28 20.796 2.812 -22.803 1.00 0.00 C ATOM 413 CE2 TYR A 28 18.753 3.059 -21.587 1.00 0.00 C ATOM 414 CZ TYR A 28 19.895 3.608 -22.128 1.00 0.00 C ATOM 415 OH TYR A 28 20.135 4.956 -21.995 1.00 0.00 O ATOM 0 H TYR A 28 19.139 -3.003 -23.236 1.00 0.00 H new ATOM 0 HA TYR A 28 21.236 -0.974 -22.851 1.00 0.00 H new ATOM 0 HB2 TYR A 28 18.654 -0.762 -23.516 1.00 0.00 H new ATOM 0 HB3 TYR A 28 18.423 -0.902 -21.785 1.00 0.00 H new ATOM 0 HD1 TYR A 28 21.259 0.841 -23.466 1.00 0.00 H new ATOM 0 HD2 TYR A 28 17.622 1.276 -21.289 1.00 0.00 H new ATOM 0 HE1 TYR A 28 21.690 3.245 -23.227 1.00 0.00 H new ATOM 0 HE2 TYR A 28 18.046 3.685 -21.062 1.00 0.00 H new ATOM 0 HH TYR A 28 21.029 5.093 -21.617 1.00 0.00 H new ATOM 425 N ILE A 29 21.922 -1.805 -20.608 1.00 0.00 N ATOM 426 CA ILE A 29 22.332 -2.255 -19.279 1.00 0.00 C ATOM 427 C ILE A 29 22.886 -1.108 -18.440 1.00 0.00 C ATOM 428 O ILE A 29 23.345 -0.100 -18.974 1.00 0.00 O ATOM 429 CB ILE A 29 23.364 -3.412 -19.357 1.00 0.00 C ATOM 430 CG1 ILE A 29 24.484 -3.112 -20.366 1.00 0.00 C ATOM 431 CG2 ILE A 29 22.669 -4.717 -19.714 1.00 0.00 C ATOM 432 CD1 ILE A 29 25.576 -2.205 -19.837 1.00 0.00 C ATOM 0 H ILE A 29 22.679 -1.432 -21.181 1.00 0.00 H new ATOM 0 HA ILE A 29 21.435 -2.632 -18.788 1.00 0.00 H new ATOM 0 HB ILE A 29 23.824 -3.509 -18.373 1.00 0.00 H new ATOM 0 HG12 ILE A 29 24.932 -4.053 -20.683 1.00 0.00 H new ATOM 0 HG13 ILE A 29 24.045 -2.653 -21.252 1.00 0.00 H new ATOM 0 HG21 ILE A 29 23.405 -5.519 -19.765 1.00 0.00 H new ATOM 0 HG22 ILE A 29 21.926 -4.954 -18.952 1.00 0.00 H new ATOM 0 HG23 ILE A 29 22.177 -4.614 -20.681 1.00 0.00 H new ATOM 0 HD11 ILE A 29 26.325 -2.046 -20.613 1.00 0.00 H new ATOM 0 HD12 ILE A 29 25.145 -1.247 -19.547 1.00 0.00 H new ATOM 0 HD13 ILE A 29 26.046 -2.669 -18.970 1.00 0.00 H new ATOM 444 N VAL A 30 22.841 -1.265 -17.126 1.00 0.00 N ATOM 445 CA VAL A 30 23.238 -0.197 -16.218 1.00 0.00 C ATOM 446 C VAL A 30 24.718 -0.278 -15.843 1.00 0.00 C ATOM 447 O VAL A 30 25.261 -1.360 -15.611 1.00 0.00 O ATOM 448 CB VAL A 30 22.382 -0.200 -14.931 1.00 0.00 C ATOM 449 CG1 VAL A 30 20.940 0.161 -15.253 1.00 0.00 C ATOM 450 CG2 VAL A 30 22.450 -1.551 -14.229 1.00 0.00 C ATOM 0 H VAL A 30 22.534 -2.121 -16.664 1.00 0.00 H new ATOM 0 HA VAL A 30 23.070 0.736 -16.756 1.00 0.00 H new ATOM 0 HB VAL A 30 22.788 0.551 -14.253 1.00 0.00 H new ATOM 0 HG11 VAL A 30 20.350 0.155 -14.337 1.00 0.00 H new ATOM 0 HG12 VAL A 30 20.905 1.154 -15.700 1.00 0.00 H new ATOM 0 HG13 VAL A 30 20.530 -0.567 -15.953 1.00 0.00 H new ATOM 0 HG21 VAL A 30 21.838 -1.524 -13.327 1.00 0.00 H new ATOM 0 HG22 VAL A 30 22.077 -2.327 -14.897 1.00 0.00 H new ATOM 0 HG23 VAL A 30 23.483 -1.770 -13.960 1.00 0.00 H new ATOM 460 N ARG A 31 25.356 0.884 -15.801 1.00 0.00 N ATOM 461 CA ARG A 31 26.751 1.017 -15.401 1.00 0.00 C ATOM 462 C ARG A 31 26.955 2.372 -14.741 1.00 0.00 C ATOM 463 O ARG A 31 26.520 3.391 -15.269 1.00 0.00 O ATOM 464 CB ARG A 31 27.679 0.902 -16.616 1.00 0.00 C ATOM 465 CG ARG A 31 27.891 -0.519 -17.107 1.00 0.00 C ATOM 466 CD ARG A 31 28.890 -1.267 -16.240 1.00 0.00 C ATOM 467 NE ARG A 31 28.970 -2.678 -16.606 1.00 0.00 N ATOM 468 CZ ARG A 31 30.023 -3.241 -17.203 1.00 0.00 C ATOM 469 NH1 ARG A 31 31.092 -2.511 -17.514 1.00 0.00 N ATOM 470 NH2 ARG A 31 30.002 -4.538 -17.491 1.00 0.00 N ATOM 0 H ARG A 31 24.915 1.770 -16.046 1.00 0.00 H new ATOM 0 HA ARG A 31 26.992 0.216 -14.702 1.00 0.00 H new ATOM 0 HB2 ARG A 31 27.268 1.498 -17.431 1.00 0.00 H new ATOM 0 HB3 ARG A 31 28.647 1.334 -16.362 1.00 0.00 H new ATOM 0 HG2 ARG A 31 26.939 -1.050 -17.107 1.00 0.00 H new ATOM 0 HG3 ARG A 31 28.246 -0.499 -18.138 1.00 0.00 H new ATOM 0 HD2 ARG A 31 29.874 -0.809 -16.340 1.00 0.00 H new ATOM 0 HD3 ARG A 31 28.602 -1.178 -15.193 1.00 0.00 H new ATOM 0 HE ARG A 31 28.169 -3.272 -16.392 1.00 0.00 H new ATOM 0 HH11 ARG A 31 31.110 -1.515 -17.296 1.00 0.00 H new ATOM 0 HH12 ARG A 31 31.893 -2.948 -17.970 1.00 0.00 H new ATOM 0 HH21 ARG A 31 29.183 -5.099 -17.256 1.00 0.00 H new ATOM 0 HH22 ARG A 31 30.804 -4.972 -17.947 1.00 0.00 H new ATOM 484 N PHE A 32 27.606 2.391 -13.591 1.00 0.00 N ATOM 485 CA PHE A 32 27.899 3.653 -12.929 1.00 0.00 C ATOM 486 C PHE A 32 29.109 4.302 -13.583 1.00 0.00 C ATOM 487 O PHE A 32 29.148 5.512 -13.797 1.00 0.00 O ATOM 488 CB PHE A 32 28.148 3.442 -11.434 1.00 0.00 C ATOM 489 CG PHE A 32 28.343 4.725 -10.675 1.00 0.00 C ATOM 490 CD1 PHE A 32 27.254 5.504 -10.319 1.00 0.00 C ATOM 491 CD2 PHE A 32 29.612 5.155 -10.324 1.00 0.00 C ATOM 492 CE1 PHE A 32 27.428 6.685 -9.626 1.00 0.00 C ATOM 493 CE2 PHE A 32 29.792 6.336 -9.631 1.00 0.00 C ATOM 494 CZ PHE A 32 28.699 7.103 -9.282 1.00 0.00 C ATOM 0 H PHE A 32 27.938 1.561 -13.101 1.00 0.00 H new ATOM 0 HA PHE A 32 27.037 4.312 -13.034 1.00 0.00 H new ATOM 0 HB2 PHE A 32 27.305 2.900 -11.006 1.00 0.00 H new ATOM 0 HB3 PHE A 32 29.030 2.814 -11.305 1.00 0.00 H new ATOM 0 HD1 PHE A 32 26.258 5.184 -10.587 1.00 0.00 H new ATOM 0 HD2 PHE A 32 30.471 4.560 -10.596 1.00 0.00 H new ATOM 0 HE1 PHE A 32 26.571 7.282 -9.353 1.00 0.00 H new ATOM 0 HE2 PHE A 32 30.787 6.659 -9.362 1.00 0.00 H new ATOM 0 HZ PHE A 32 28.837 8.028 -8.741 1.00 0.00 H new ATOM 504 N SER A 33 30.091 3.482 -13.909 1.00 0.00 N ATOM 505 CA SER A 33 31.274 3.948 -14.596 1.00 0.00 C ATOM 506 C SER A 33 31.115 3.778 -16.104 1.00 0.00 C ATOM 507 O SER A 33 31.210 2.669 -16.632 1.00 0.00 O ATOM 508 CB SER A 33 32.494 3.182 -14.085 1.00 0.00 C ATOM 509 OG SER A 33 32.217 1.793 -13.993 1.00 0.00 O ATOM 0 H SER A 33 30.089 2.482 -13.706 1.00 0.00 H new ATOM 0 HA SER A 33 31.415 5.010 -14.393 1.00 0.00 H new ATOM 0 HB2 SER A 33 33.338 3.345 -14.755 1.00 0.00 H new ATOM 0 HB3 SER A 33 32.785 3.565 -13.107 1.00 0.00 H new ATOM 0 HG SER A 33 31.771 1.493 -14.813 1.00 0.00 H new ATOM 515 N GLU A 34 30.837 4.877 -16.791 1.00 0.00 N ATOM 516 CA GLU A 34 30.705 4.864 -18.245 1.00 0.00 C ATOM 517 C GLU A 34 32.061 4.645 -18.918 1.00 0.00 C ATOM 518 O GLU A 34 32.135 4.297 -20.096 1.00 0.00 O ATOM 519 CB GLU A 34 30.047 6.157 -18.758 1.00 0.00 C ATOM 520 CG GLU A 34 30.134 7.348 -17.806 1.00 0.00 C ATOM 521 CD GLU A 34 31.554 7.734 -17.448 1.00 0.00 C ATOM 522 OE1 GLU A 34 32.227 8.391 -18.270 1.00 0.00 O ATOM 523 OE2 GLU A 34 31.999 7.384 -16.333 1.00 0.00 O ATOM 0 H GLU A 34 30.698 5.793 -16.365 1.00 0.00 H new ATOM 0 HA GLU A 34 30.055 4.029 -18.508 1.00 0.00 H new ATOM 0 HB2 GLU A 34 30.512 6.433 -19.704 1.00 0.00 H new ATOM 0 HB3 GLU A 34 28.997 5.954 -18.967 1.00 0.00 H new ATOM 0 HG2 GLU A 34 29.637 8.204 -18.262 1.00 0.00 H new ATOM 0 HG3 GLU A 34 29.589 7.113 -16.892 1.00 0.00 H new ATOM 530 N ASP A 35 33.129 4.825 -18.150 1.00 0.00 N ATOM 531 CA ASP A 35 34.487 4.667 -18.661 1.00 0.00 C ATOM 532 C ASP A 35 34.888 3.195 -18.719 1.00 0.00 C ATOM 533 O ASP A 35 36.021 2.867 -19.076 1.00 0.00 O ATOM 534 CB ASP A 35 35.483 5.438 -17.785 1.00 0.00 C ATOM 535 CG ASP A 35 35.649 4.828 -16.403 1.00 0.00 C ATOM 536 OD1 ASP A 35 34.672 4.825 -15.625 1.00 0.00 O ATOM 537 OD2 ASP A 35 36.757 4.352 -16.084 1.00 0.00 O ATOM 0 H ASP A 35 33.081 5.082 -17.164 1.00 0.00 H new ATOM 0 HA ASP A 35 34.508 5.072 -19.673 1.00 0.00 H new ATOM 0 HB2 ASP A 35 36.452 5.466 -18.283 1.00 0.00 H new ATOM 0 HB3 ASP A 35 35.147 6.470 -17.683 1.00 0.00 H new ATOM 542 N SER A 36 33.955 2.309 -18.386 1.00 0.00 N ATOM 543 CA SER A 36 34.235 0.879 -18.392 1.00 0.00 C ATOM 544 C SER A 36 34.064 0.298 -19.794 1.00 0.00 C ATOM 545 O SER A 36 34.361 -0.873 -20.036 1.00 0.00 O ATOM 546 CB SER A 36 33.331 0.147 -17.394 1.00 0.00 C ATOM 547 OG SER A 36 31.957 0.385 -17.660 1.00 0.00 O ATOM 0 H SER A 36 33.004 2.555 -18.110 1.00 0.00 H new ATOM 0 HA SER A 36 35.272 0.736 -18.087 1.00 0.00 H new ATOM 0 HB2 SER A 36 33.531 -0.924 -17.439 1.00 0.00 H new ATOM 0 HB3 SER A 36 33.568 0.473 -16.381 1.00 0.00 H new ATOM 0 HG SER A 36 31.707 1.271 -17.324 1.00 0.00 H new ATOM 553 N PHE A 37 33.587 1.126 -20.714 1.00 0.00 N ATOM 554 CA PHE A 37 33.420 0.711 -22.098 1.00 0.00 C ATOM 555 C PHE A 37 34.474 1.375 -22.970 1.00 0.00 C ATOM 556 O PHE A 37 35.233 2.224 -22.498 1.00 0.00 O ATOM 557 CB PHE A 37 32.022 1.069 -22.603 1.00 0.00 C ATOM 558 CG PHE A 37 30.915 0.423 -21.823 1.00 0.00 C ATOM 559 CD1 PHE A 37 30.742 -0.951 -21.852 1.00 0.00 C ATOM 560 CD2 PHE A 37 30.048 1.189 -21.061 1.00 0.00 C ATOM 561 CE1 PHE A 37 29.724 -1.550 -21.138 1.00 0.00 C ATOM 562 CE2 PHE A 37 29.028 0.596 -20.346 1.00 0.00 C ATOM 563 CZ PHE A 37 28.866 -0.776 -20.384 1.00 0.00 C ATOM 0 H PHE A 37 33.309 2.089 -20.525 1.00 0.00 H new ATOM 0 HA PHE A 37 33.540 -0.371 -22.152 1.00 0.00 H new ATOM 0 HB2 PHE A 37 31.898 2.151 -22.565 1.00 0.00 H new ATOM 0 HB3 PHE A 37 31.937 0.775 -23.649 1.00 0.00 H new ATOM 0 HD1 PHE A 37 31.412 -1.561 -22.440 1.00 0.00 H new ATOM 0 HD2 PHE A 37 30.172 2.261 -21.026 1.00 0.00 H new ATOM 0 HE1 PHE A 37 29.599 -2.622 -21.169 1.00 0.00 H new ATOM 0 HE2 PHE A 37 28.357 1.203 -19.757 1.00 0.00 H new ATOM 0 HZ PHE A 37 28.069 -1.242 -19.824 1.00 0.00 H new ATOM 573 N GLY A 38 34.531 0.983 -24.231 1.00 0.00 N ATOM 574 CA GLY A 38 35.478 1.584 -25.144 1.00 0.00 C ATOM 575 C GLY A 38 34.855 1.904 -26.483 1.00 0.00 C ATOM 576 O GLY A 38 34.259 2.964 -26.666 1.00 0.00 O ATOM 0 H GLY A 38 33.939 0.260 -24.639 1.00 0.00 H new ATOM 0 HA2 GLY A 38 35.876 2.498 -24.703 1.00 0.00 H new ATOM 0 HA3 GLY A 38 36.320 0.907 -25.289 1.00 0.00 H new ATOM 580 N MET A 39 34.983 0.979 -27.419 1.00 0.00 N ATOM 581 CA MET A 39 34.427 1.154 -28.753 1.00 0.00 C ATOM 582 C MET A 39 33.261 0.196 -28.957 1.00 0.00 C ATOM 583 O MET A 39 32.714 0.078 -30.055 1.00 0.00 O ATOM 584 CB MET A 39 35.507 0.918 -29.814 1.00 0.00 C ATOM 585 CG MET A 39 36.673 1.891 -29.723 1.00 0.00 C ATOM 586 SD MET A 39 37.953 1.574 -30.953 1.00 0.00 S ATOM 587 CE MET A 39 39.125 2.871 -30.558 1.00 0.00 C ATOM 0 H MET A 39 35.470 0.094 -27.280 1.00 0.00 H new ATOM 0 HA MET A 39 34.064 2.177 -28.855 1.00 0.00 H new ATOM 0 HB2 MET A 39 35.885 -0.100 -29.715 1.00 0.00 H new ATOM 0 HB3 MET A 39 35.056 0.996 -30.803 1.00 0.00 H new ATOM 0 HG2 MET A 39 36.301 2.908 -29.848 1.00 0.00 H new ATOM 0 HG3 MET A 39 37.111 1.832 -28.727 1.00 0.00 H new ATOM 0 HE1 MET A 39 39.978 2.809 -31.234 1.00 0.00 H new ATOM 0 HE2 MET A 39 38.644 3.843 -30.669 1.00 0.00 H new ATOM 0 HE3 MET A 39 39.468 2.751 -29.530 1.00 0.00 H new ATOM 597 N ASP A 40 32.888 -0.481 -27.881 1.00 0.00 N ATOM 598 CA ASP A 40 31.788 -1.436 -27.901 1.00 0.00 C ATOM 599 C ASP A 40 30.476 -0.753 -27.541 1.00 0.00 C ATOM 600 O ASP A 40 29.396 -1.322 -27.711 1.00 0.00 O ATOM 601 CB ASP A 40 32.060 -2.581 -26.920 1.00 0.00 C ATOM 602 CG ASP A 40 32.184 -2.111 -25.482 1.00 0.00 C ATOM 603 OD1 ASP A 40 32.995 -1.194 -25.215 1.00 0.00 O ATOM 604 OD2 ASP A 40 31.493 -2.677 -24.607 1.00 0.00 O ATOM 0 H ASP A 40 33.338 -0.385 -26.971 1.00 0.00 H new ATOM 0 HA ASP A 40 31.708 -1.840 -28.910 1.00 0.00 H new ATOM 0 HB2 ASP A 40 31.254 -3.311 -26.990 1.00 0.00 H new ATOM 0 HB3 ASP A 40 32.978 -3.091 -27.211 1.00 0.00 H new ATOM 609 N VAL A 41 30.574 0.465 -27.033 1.00 0.00 N ATOM 610 CA VAL A 41 29.402 1.238 -26.655 1.00 0.00 C ATOM 611 C VAL A 41 29.586 2.699 -27.044 1.00 0.00 C ATOM 612 O VAL A 41 30.555 3.340 -26.634 1.00 0.00 O ATOM 613 CB VAL A 41 29.120 1.142 -25.136 1.00 0.00 C ATOM 614 CG1 VAL A 41 27.958 2.041 -24.740 1.00 0.00 C ATOM 615 CG2 VAL A 41 28.828 -0.293 -24.730 1.00 0.00 C ATOM 0 H VAL A 41 31.461 0.943 -26.872 1.00 0.00 H new ATOM 0 HA VAL A 41 28.549 0.819 -27.189 1.00 0.00 H new ATOM 0 HB VAL A 41 30.014 1.479 -24.611 1.00 0.00 H new ATOM 0 HG11 VAL A 41 27.780 1.955 -23.668 1.00 0.00 H new ATOM 0 HG12 VAL A 41 28.198 3.075 -24.986 1.00 0.00 H new ATOM 0 HG13 VAL A 41 27.062 1.737 -25.282 1.00 0.00 H new ATOM 0 HG21 VAL A 41 28.633 -0.335 -23.658 1.00 0.00 H new ATOM 0 HG22 VAL A 41 27.954 -0.654 -25.272 1.00 0.00 H new ATOM 0 HG23 VAL A 41 29.687 -0.920 -24.968 1.00 0.00 H new ATOM 625 N ALA A 42 28.666 3.212 -27.851 1.00 0.00 N ATOM 626 CA ALA A 42 28.705 4.609 -28.263 1.00 0.00 C ATOM 627 C ALA A 42 28.373 5.517 -27.086 1.00 0.00 C ATOM 628 O ALA A 42 27.617 5.133 -26.194 1.00 0.00 O ATOM 629 CB ALA A 42 27.738 4.847 -29.413 1.00 0.00 C ATOM 0 H ALA A 42 27.883 2.681 -28.233 1.00 0.00 H new ATOM 0 HA ALA A 42 29.712 4.845 -28.606 1.00 0.00 H new ATOM 0 HB1 ALA A 42 27.777 5.895 -29.711 1.00 0.00 H new ATOM 0 HB2 ALA A 42 28.017 4.219 -30.259 1.00 0.00 H new ATOM 0 HB3 ALA A 42 26.726 4.598 -29.095 1.00 0.00 H new ATOM 635 N ASP A 43 28.932 6.719 -27.090 1.00 0.00 N ATOM 636 CA ASP A 43 28.748 7.658 -25.986 1.00 0.00 C ATOM 637 C ASP A 43 27.295 8.102 -25.878 1.00 0.00 C ATOM 638 O ASP A 43 26.754 8.232 -24.780 1.00 0.00 O ATOM 639 CB ASP A 43 29.649 8.880 -26.168 1.00 0.00 C ATOM 640 CG ASP A 43 29.464 9.898 -25.061 1.00 0.00 C ATOM 641 OD1 ASP A 43 29.943 9.648 -23.933 1.00 0.00 O ATOM 642 OD2 ASP A 43 28.847 10.951 -25.314 1.00 0.00 O ATOM 0 H ASP A 43 29.519 7.070 -27.847 1.00 0.00 H new ATOM 0 HA ASP A 43 29.022 7.144 -25.064 1.00 0.00 H new ATOM 0 HB2 ASP A 43 30.691 8.560 -26.195 1.00 0.00 H new ATOM 0 HB3 ASP A 43 29.434 9.348 -27.129 1.00 0.00 H new ATOM 647 N ASP A 44 26.663 8.313 -27.028 1.00 0.00 N ATOM 648 CA ASP A 44 25.263 8.736 -27.074 1.00 0.00 C ATOM 649 C ASP A 44 24.339 7.599 -26.654 1.00 0.00 C ATOM 650 O ASP A 44 23.147 7.798 -26.435 1.00 0.00 O ATOM 651 CB ASP A 44 24.886 9.223 -28.480 1.00 0.00 C ATOM 652 CG ASP A 44 25.596 10.505 -28.869 1.00 0.00 C ATOM 653 OD1 ASP A 44 26.811 10.450 -29.166 1.00 0.00 O ATOM 654 OD2 ASP A 44 24.945 11.573 -28.898 1.00 0.00 O ATOM 0 H ASP A 44 27.097 8.198 -27.944 1.00 0.00 H new ATOM 0 HA ASP A 44 25.142 9.562 -26.373 1.00 0.00 H new ATOM 0 HB2 ASP A 44 25.127 8.446 -29.205 1.00 0.00 H new ATOM 0 HB3 ASP A 44 23.809 9.381 -28.528 1.00 0.00 H new ATOM 659 N SER A 45 24.903 6.402 -26.542 1.00 0.00 N ATOM 660 CA SER A 45 24.149 5.237 -26.111 1.00 0.00 C ATOM 661 C SER A 45 24.261 5.059 -24.599 1.00 0.00 C ATOM 662 O SER A 45 23.767 4.080 -24.041 1.00 0.00 O ATOM 663 CB SER A 45 24.656 3.987 -26.832 1.00 0.00 C ATOM 664 OG SER A 45 24.642 4.171 -28.239 1.00 0.00 O ATOM 0 H SER A 45 25.885 6.215 -26.745 1.00 0.00 H new ATOM 0 HA SER A 45 23.099 5.387 -26.364 1.00 0.00 H new ATOM 0 HB2 SER A 45 25.669 3.758 -26.502 1.00 0.00 H new ATOM 0 HB3 SER A 45 24.034 3.132 -26.567 1.00 0.00 H new ATOM 0 HG SER A 45 25.060 3.399 -28.674 1.00 0.00 H new ATOM 670 N ILE A 46 24.931 6.004 -23.949 1.00 0.00 N ATOM 671 CA ILE A 46 25.045 6.010 -22.498 1.00 0.00 C ATOM 672 C ILE A 46 24.304 7.217 -21.936 1.00 0.00 C ATOM 673 O ILE A 46 24.632 8.359 -22.252 1.00 0.00 O ATOM 674 CB ILE A 46 26.521 6.057 -22.032 1.00 0.00 C ATOM 675 CG1 ILE A 46 27.307 4.879 -22.616 1.00 0.00 C ATOM 676 CG2 ILE A 46 26.594 6.045 -20.508 1.00 0.00 C ATOM 677 CD1 ILE A 46 28.786 4.904 -22.282 1.00 0.00 C ATOM 0 H ILE A 46 25.406 6.780 -24.409 1.00 0.00 H new ATOM 0 HA ILE A 46 24.605 5.084 -22.128 1.00 0.00 H new ATOM 0 HB ILE A 46 26.970 6.982 -22.395 1.00 0.00 H new ATOM 0 HG12 ILE A 46 26.876 3.948 -22.247 1.00 0.00 H new ATOM 0 HG13 ILE A 46 27.189 4.877 -23.700 1.00 0.00 H new ATOM 0 HG21 ILE A 46 27.637 6.078 -20.193 1.00 0.00 H new ATOM 0 HG22 ILE A 46 26.068 6.913 -20.112 1.00 0.00 H new ATOM 0 HG23 ILE A 46 26.130 5.135 -20.129 1.00 0.00 H new ATOM 0 HD11 ILE A 46 29.275 4.039 -22.730 1.00 0.00 H new ATOM 0 HD12 ILE A 46 29.232 5.817 -22.676 1.00 0.00 H new ATOM 0 HD13 ILE A 46 28.915 4.874 -21.200 1.00 0.00 H new ATOM 689 N THR A 47 23.292 6.963 -21.125 1.00 0.00 N ATOM 690 CA THR A 47 22.482 8.029 -20.563 1.00 0.00 C ATOM 691 C THR A 47 22.114 7.724 -19.111 1.00 0.00 C ATOM 692 O THR A 47 21.715 6.603 -18.793 1.00 0.00 O ATOM 693 CB THR A 47 21.205 8.227 -21.408 1.00 0.00 C ATOM 694 OG1 THR A 47 21.572 8.571 -22.751 1.00 0.00 O ATOM 695 CG2 THR A 47 20.312 9.313 -20.826 1.00 0.00 C ATOM 0 H THR A 47 23.011 6.025 -20.840 1.00 0.00 H new ATOM 0 HA THR A 47 23.065 8.950 -20.581 1.00 0.00 H new ATOM 0 HB THR A 47 20.643 7.293 -21.400 1.00 0.00 H new ATOM 0 HG1 THR A 47 20.763 8.696 -23.290 1.00 0.00 H new ATOM 0 HG21 THR A 47 19.423 9.425 -21.447 1.00 0.00 H new ATOM 0 HG22 THR A 47 20.016 9.037 -19.814 1.00 0.00 H new ATOM 0 HG23 THR A 47 20.857 10.257 -20.800 1.00 0.00 H new ATOM 703 N PRO A 48 22.278 8.709 -18.206 1.00 0.00 N ATOM 704 CA PRO A 48 21.916 8.563 -16.791 1.00 0.00 C ATOM 705 C PRO A 48 20.456 8.163 -16.622 1.00 0.00 C ATOM 706 O PRO A 48 19.573 8.713 -17.283 1.00 0.00 O ATOM 707 CB PRO A 48 22.158 9.959 -16.199 1.00 0.00 C ATOM 708 CG PRO A 48 22.261 10.873 -17.374 1.00 0.00 C ATOM 709 CD PRO A 48 22.825 10.044 -18.489 1.00 0.00 C ATOM 0 HA PRO A 48 22.497 7.781 -16.301 1.00 0.00 H new ATOM 0 HB2 PRO A 48 21.340 10.254 -15.541 1.00 0.00 H new ATOM 0 HB3 PRO A 48 23.070 9.981 -15.603 1.00 0.00 H new ATOM 0 HG2 PRO A 48 21.285 11.276 -17.642 1.00 0.00 H new ATOM 0 HG3 PRO A 48 22.907 11.723 -17.153 1.00 0.00 H new ATOM 0 HD2 PRO A 48 22.511 10.412 -19.466 1.00 0.00 H new ATOM 0 HD3 PRO A 48 23.915 10.045 -18.483 1.00 0.00 H new ATOM 717 N THR A 49 20.199 7.215 -15.731 1.00 0.00 N ATOM 718 CA THR A 49 18.849 6.704 -15.539 1.00 0.00 C ATOM 719 C THR A 49 17.927 7.801 -15.005 1.00 0.00 C ATOM 720 O THR A 49 16.732 7.812 -15.287 1.00 0.00 O ATOM 721 CB THR A 49 18.837 5.479 -14.595 1.00 0.00 C ATOM 722 OG1 THR A 49 17.543 4.865 -14.593 1.00 0.00 O ATOM 723 CG2 THR A 49 19.215 5.868 -13.174 1.00 0.00 C ATOM 0 H THR A 49 20.904 6.786 -15.132 1.00 0.00 H new ATOM 0 HA THR A 49 18.477 6.380 -16.511 1.00 0.00 H new ATOM 0 HB THR A 49 19.577 4.771 -14.967 1.00 0.00 H new ATOM 0 HG1 THR A 49 17.314 4.587 -13.681 1.00 0.00 H new ATOM 0 HG21 THR A 49 19.196 4.983 -12.537 1.00 0.00 H new ATOM 0 HG22 THR A 49 20.217 6.298 -13.169 1.00 0.00 H new ATOM 0 HG23 THR A 49 18.503 6.602 -12.796 1.00 0.00 H new ATOM 731 N SER A 50 18.505 8.755 -14.281 1.00 0.00 N ATOM 732 CA SER A 50 17.748 9.864 -13.721 1.00 0.00 C ATOM 733 C SER A 50 17.299 10.839 -14.807 1.00 0.00 C ATOM 734 O SER A 50 16.462 11.702 -14.566 1.00 0.00 O ATOM 735 CB SER A 50 18.595 10.579 -12.676 1.00 0.00 C ATOM 736 OG SER A 50 19.964 10.571 -13.047 1.00 0.00 O ATOM 0 H SER A 50 19.502 8.780 -14.069 1.00 0.00 H new ATOM 0 HA SER A 50 16.849 9.467 -13.250 1.00 0.00 H new ATOM 0 HB2 SER A 50 18.250 11.607 -12.563 1.00 0.00 H new ATOM 0 HB3 SER A 50 18.473 10.093 -11.708 1.00 0.00 H new ATOM 0 HG SER A 50 20.502 10.226 -12.304 1.00 0.00 H new ATOM 742 N GLU A 51 17.870 10.703 -15.996 1.00 0.00 N ATOM 743 CA GLU A 51 17.450 11.503 -17.137 1.00 0.00 C ATOM 744 C GLU A 51 16.596 10.654 -18.069 1.00 0.00 C ATOM 745 O GLU A 51 15.690 11.153 -18.733 1.00 0.00 O ATOM 746 CB GLU A 51 18.663 12.051 -17.890 1.00 0.00 C ATOM 747 CG GLU A 51 18.291 12.949 -19.059 1.00 0.00 C ATOM 748 CD GLU A 51 19.495 13.410 -19.848 1.00 0.00 C ATOM 749 OE1 GLU A 51 20.081 14.454 -19.491 1.00 0.00 O ATOM 750 OE2 GLU A 51 19.858 12.736 -20.833 1.00 0.00 O ATOM 0 H GLU A 51 18.625 10.046 -16.195 1.00 0.00 H new ATOM 0 HA GLU A 51 16.863 12.347 -16.776 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.290 12.611 -17.196 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.261 11.217 -18.258 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.611 12.413 -19.721 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.752 13.819 -18.686 1.00 0.00 H new ATOM 757 N PHE A 52 16.886 9.358 -18.091 1.00 0.00 N ATOM 758 CA PHE A 52 16.161 8.412 -18.930 1.00 0.00 C ATOM 759 C PHE A 52 14.696 8.327 -18.506 1.00 0.00 C ATOM 760 O PHE A 52 13.817 8.035 -19.321 1.00 0.00 O ATOM 761 CB PHE A 52 16.823 7.033 -18.849 1.00 0.00 C ATOM 762 CG PHE A 52 16.223 6.016 -19.777 1.00 0.00 C ATOM 763 CD1 PHE A 52 16.424 6.110 -21.145 1.00 0.00 C ATOM 764 CD2 PHE A 52 15.457 4.971 -19.286 1.00 0.00 C ATOM 765 CE1 PHE A 52 15.874 5.181 -22.004 1.00 0.00 C ATOM 766 CE2 PHE A 52 14.904 4.039 -20.142 1.00 0.00 C ATOM 767 CZ PHE A 52 15.113 4.145 -21.503 1.00 0.00 C ATOM 0 H PHE A 52 17.626 8.935 -17.531 1.00 0.00 H new ATOM 0 HA PHE A 52 16.195 8.761 -19.962 1.00 0.00 H new ATOM 0 HB2 PHE A 52 17.884 7.136 -19.076 1.00 0.00 H new ATOM 0 HB3 PHE A 52 16.750 6.665 -17.826 1.00 0.00 H new ATOM 0 HD1 PHE A 52 17.018 6.920 -21.543 1.00 0.00 H new ATOM 0 HD2 PHE A 52 15.291 4.884 -18.222 1.00 0.00 H new ATOM 0 HE1 PHE A 52 16.039 5.265 -23.068 1.00 0.00 H new ATOM 0 HE2 PHE A 52 14.309 3.228 -19.748 1.00 0.00 H new ATOM 0 HZ PHE A 52 14.681 3.418 -22.174 1.00 0.00 H new ATOM 777 N VAL A 53 14.438 8.597 -17.231 1.00 0.00 N ATOM 778 CA VAL A 53 13.078 8.592 -16.709 1.00 0.00 C ATOM 779 C VAL A 53 12.307 9.824 -17.180 1.00 0.00 C ATOM 780 O VAL A 53 11.096 9.919 -16.990 1.00 0.00 O ATOM 781 CB VAL A 53 13.051 8.539 -15.166 1.00 0.00 C ATOM 782 CG1 VAL A 53 13.755 7.295 -14.650 1.00 0.00 C ATOM 783 CG2 VAL A 53 13.673 9.792 -14.570 1.00 0.00 C ATOM 0 H VAL A 53 15.154 8.822 -16.540 1.00 0.00 H new ATOM 0 HA VAL A 53 12.600 7.692 -17.095 1.00 0.00 H new ATOM 0 HB VAL A 53 12.008 8.492 -14.852 1.00 0.00 H new ATOM 0 HG11 VAL A 53 13.721 7.283 -13.561 1.00 0.00 H new ATOM 0 HG12 VAL A 53 13.256 6.407 -15.038 1.00 0.00 H new ATOM 0 HG13 VAL A 53 14.794 7.301 -14.981 1.00 0.00 H new ATOM 0 HG21 VAL A 53 13.642 9.731 -13.482 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.709 9.876 -14.900 1.00 0.00 H new ATOM 0 HG23 VAL A 53 13.115 10.668 -14.900 1.00 0.00 H new ATOM 793 N TRP A 54 13.015 10.767 -17.788 1.00 0.00 N ATOM 794 CA TRP A 54 12.388 11.956 -18.339 1.00 0.00 C ATOM 795 C TRP A 54 12.335 11.863 -19.853 1.00 0.00 C ATOM 796 O TRP A 54 13.265 11.371 -20.492 1.00 0.00 O ATOM 797 CB TRP A 54 13.153 13.223 -17.948 1.00 0.00 C ATOM 798 CG TRP A 54 13.135 13.524 -16.484 1.00 0.00 C ATOM 799 CD1 TRP A 54 14.123 13.258 -15.586 1.00 0.00 C ATOM 800 CD2 TRP A 54 12.082 14.156 -15.749 1.00 0.00 C ATOM 801 NE1 TRP A 54 13.753 13.684 -14.337 1.00 0.00 N ATOM 802 CE2 TRP A 54 12.504 14.240 -14.409 1.00 0.00 C ATOM 803 CE3 TRP A 54 10.826 14.663 -16.093 1.00 0.00 C ATOM 804 CZ2 TRP A 54 11.713 14.806 -13.413 1.00 0.00 C ATOM 805 CZ3 TRP A 54 10.042 15.224 -15.103 1.00 0.00 C ATOM 806 CH2 TRP A 54 10.489 15.294 -13.778 1.00 0.00 C ATOM 0 H TRP A 54 14.027 10.729 -17.911 1.00 0.00 H new ATOM 0 HA TRP A 54 11.379 12.015 -17.931 1.00 0.00 H new ATOM 0 HB2 TRP A 54 14.188 13.124 -18.274 1.00 0.00 H new ATOM 0 HB3 TRP A 54 12.729 14.070 -18.487 1.00 0.00 H new ATOM 0 HD1 TRP A 54 15.062 12.781 -15.823 1.00 0.00 H new ATOM 0 HE1 TRP A 54 14.317 13.600 -13.491 1.00 0.00 H new ATOM 0 HE3 TRP A 54 10.475 14.617 -17.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 12.054 14.858 -12.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 9.068 15.615 -15.356 1.00 0.00 H new ATOM 0 HH2 TRP A 54 9.854 15.743 -13.029 1.00 0.00 H new ATOM 817 N SER A 55 11.241 12.313 -20.422 1.00 0.00 N ATOM 818 CA SER A 55 11.138 12.430 -21.857 1.00 0.00 C ATOM 819 C SER A 55 11.283 13.896 -22.240 1.00 0.00 C ATOM 820 O SER A 55 10.330 14.673 -22.135 1.00 0.00 O ATOM 821 CB SER A 55 9.803 11.866 -22.347 1.00 0.00 C ATOM 822 OG SER A 55 9.596 10.547 -21.865 1.00 0.00 O ATOM 0 H SER A 55 10.408 12.605 -19.911 1.00 0.00 H new ATOM 0 HA SER A 55 11.932 11.853 -22.332 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.989 12.510 -22.014 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.783 11.865 -23.437 1.00 0.00 H new ATOM 0 HG SER A 55 8.735 10.211 -22.191 1.00 0.00 H new ATOM 828 N SER A 56 12.492 14.281 -22.621 1.00 0.00 N ATOM 829 CA SER A 56 12.772 15.658 -22.982 1.00 0.00 C ATOM 830 C SER A 56 11.989 16.035 -24.235 1.00 0.00 C ATOM 831 O SER A 56 12.191 15.457 -25.305 1.00 0.00 O ATOM 832 CB SER A 56 14.273 15.844 -23.207 1.00 0.00 C ATOM 833 OG SER A 56 14.634 17.211 -23.142 1.00 0.00 O ATOM 0 H SER A 56 13.295 13.656 -22.687 1.00 0.00 H new ATOM 0 HA SER A 56 12.461 16.314 -22.169 1.00 0.00 H new ATOM 0 HB2 SER A 56 14.828 15.282 -22.456 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.551 15.437 -24.179 1.00 0.00 H new ATOM 0 HG SER A 56 15.599 17.302 -23.287 1.00 0.00 H new ATOM 839 N VAL A 57 11.071 16.979 -24.096 1.00 0.00 N ATOM 840 CA VAL A 57 10.245 17.397 -25.219 1.00 0.00 C ATOM 841 C VAL A 57 10.529 18.842 -25.606 1.00 0.00 C ATOM 842 O VAL A 57 10.310 19.241 -26.748 1.00 0.00 O ATOM 843 CB VAL A 57 8.735 17.230 -24.923 1.00 0.00 C ATOM 844 CG1 VAL A 57 8.393 15.768 -24.700 1.00 0.00 C ATOM 845 CG2 VAL A 57 8.313 18.061 -23.721 1.00 0.00 C ATOM 0 H VAL A 57 10.879 17.468 -23.222 1.00 0.00 H new ATOM 0 HA VAL A 57 10.506 16.745 -26.053 1.00 0.00 H new ATOM 0 HB VAL A 57 8.184 17.590 -25.792 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.327 15.671 -24.493 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.643 15.196 -25.593 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.963 15.386 -23.853 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.247 17.922 -23.539 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.876 17.743 -22.843 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.513 19.114 -23.918 1.00 0.00 H new ATOM 855 N ARG A 58 11.032 19.620 -24.658 1.00 0.00 N ATOM 856 CA ARG A 58 11.300 21.028 -24.895 1.00 0.00 C ATOM 857 C ARG A 58 12.419 21.502 -23.976 1.00 0.00 C ATOM 858 O ARG A 58 12.899 20.736 -23.142 1.00 0.00 O ATOM 859 CB ARG A 58 10.023 21.839 -24.672 1.00 0.00 C ATOM 860 CG ARG A 58 9.699 22.790 -25.811 1.00 0.00 C ATOM 861 CD ARG A 58 8.302 23.367 -25.675 1.00 0.00 C ATOM 862 NE ARG A 58 7.272 22.330 -25.761 1.00 0.00 N ATOM 863 CZ ARG A 58 5.963 22.575 -25.757 1.00 0.00 C ATOM 864 NH1 ARG A 58 5.513 23.818 -25.650 1.00 0.00 N ATOM 865 NH2 ARG A 58 5.100 21.573 -25.852 1.00 0.00 N ATOM 0 H ARG A 58 11.262 19.298 -23.718 1.00 0.00 H new ATOM 0 HA ARG A 58 11.622 21.172 -25.926 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.187 21.153 -24.533 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.122 22.411 -23.750 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.428 23.600 -25.828 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.785 22.263 -26.761 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.215 23.887 -24.721 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.137 24.108 -26.457 1.00 0.00 H new ATOM 0 HE ARG A 58 7.576 21.359 -25.828 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.171 24.593 -25.570 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.509 23.999 -25.648 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.439 20.614 -25.928 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.098 21.761 -25.849 1.00 0.00 H new ATOM 879 N ASP A 59 12.824 22.759 -24.122 1.00 0.00 N ATOM 880 CA ASP A 59 13.984 23.281 -23.398 1.00 0.00 C ATOM 881 C ASP A 59 13.730 23.348 -21.894 1.00 0.00 C ATOM 882 O ASP A 59 14.630 23.093 -21.095 1.00 0.00 O ATOM 883 CB ASP A 59 14.381 24.665 -23.931 1.00 0.00 C ATOM 884 CG ASP A 59 13.570 25.807 -23.345 1.00 0.00 C ATOM 885 OD1 ASP A 59 12.446 26.048 -23.826 1.00 0.00 O ATOM 886 OD2 ASP A 59 14.055 26.477 -22.408 1.00 0.00 O ATOM 0 H ASP A 59 12.369 23.437 -24.734 1.00 0.00 H new ATOM 0 HA ASP A 59 14.808 22.588 -23.567 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.436 24.836 -23.719 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.269 24.672 -25.015 1.00 0.00 H new ATOM 891 N ASP A 60 12.509 23.685 -21.510 1.00 0.00 N ATOM 892 CA ASP A 60 12.162 23.800 -20.097 1.00 0.00 C ATOM 893 C ASP A 60 11.114 22.767 -19.720 1.00 0.00 C ATOM 894 O ASP A 60 10.899 22.472 -18.546 1.00 0.00 O ATOM 895 CB ASP A 60 11.647 25.211 -19.798 1.00 0.00 C ATOM 896 CG ASP A 60 11.229 25.393 -18.353 1.00 0.00 C ATOM 897 OD1 ASP A 60 12.090 25.282 -17.459 1.00 0.00 O ATOM 898 OD2 ASP A 60 10.037 25.668 -18.105 1.00 0.00 O ATOM 0 H ASP A 60 11.742 23.884 -22.152 1.00 0.00 H new ATOM 0 HA ASP A 60 13.056 23.616 -19.502 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.425 25.935 -20.040 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.798 25.427 -20.446 1.00 0.00 H new ATOM 903 N VAL A 61 10.483 22.201 -20.732 1.00 0.00 N ATOM 904 CA VAL A 61 9.386 21.276 -20.523 1.00 0.00 C ATOM 905 C VAL A 61 9.869 19.832 -20.587 1.00 0.00 C ATOM 906 O VAL A 61 10.225 19.330 -21.656 1.00 0.00 O ATOM 907 CB VAL A 61 8.279 21.485 -21.575 1.00 0.00 C ATOM 908 CG1 VAL A 61 7.006 20.758 -21.171 1.00 0.00 C ATOM 909 CG2 VAL A 61 8.019 22.969 -21.792 1.00 0.00 C ATOM 0 H VAL A 61 10.713 22.367 -21.712 1.00 0.00 H new ATOM 0 HA VAL A 61 8.980 21.475 -19.531 1.00 0.00 H new ATOM 0 HB VAL A 61 8.619 21.061 -22.520 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.239 20.920 -21.928 1.00 0.00 H new ATOM 0 HG12 VAL A 61 7.209 19.691 -21.082 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.656 21.142 -20.213 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.234 23.096 -22.538 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.704 23.424 -20.853 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.932 23.451 -22.140 1.00 0.00 H new ATOM 919 N MET A 62 9.893 19.174 -19.439 1.00 0.00 N ATOM 920 CA MET A 62 10.226 17.759 -19.375 1.00 0.00 C ATOM 921 C MET A 62 9.049 16.975 -18.813 1.00 0.00 C ATOM 922 O MET A 62 8.442 17.375 -17.820 1.00 0.00 O ATOM 923 CB MET A 62 11.475 17.508 -18.515 1.00 0.00 C ATOM 924 CG MET A 62 12.791 17.895 -19.183 1.00 0.00 C ATOM 925 SD MET A 62 13.046 19.678 -19.295 1.00 0.00 S ATOM 926 CE MET A 62 13.100 20.125 -17.560 1.00 0.00 C ATOM 0 H MET A 62 9.685 19.599 -18.535 1.00 0.00 H new ATOM 0 HA MET A 62 10.443 17.422 -20.389 1.00 0.00 H new ATOM 0 HB2 MET A 62 11.377 18.065 -17.583 1.00 0.00 H new ATOM 0 HB3 MET A 62 11.513 16.451 -18.252 1.00 0.00 H new ATOM 0 HG2 MET A 62 13.616 17.453 -18.625 1.00 0.00 H new ATOM 0 HG3 MET A 62 12.819 17.468 -20.186 1.00 0.00 H new ATOM 0 HE1 MET A 62 13.639 21.065 -17.443 1.00 0.00 H new ATOM 0 HE2 MET A 62 12.084 20.240 -17.182 1.00 0.00 H new ATOM 0 HE3 MET A 62 13.610 19.342 -16.998 1.00 0.00 H new ATOM 936 N ARG A 63 8.715 15.873 -19.459 1.00 0.00 N ATOM 937 CA ARG A 63 7.626 15.027 -18.998 1.00 0.00 C ATOM 938 C ARG A 63 8.180 13.741 -18.408 1.00 0.00 C ATOM 939 O ARG A 63 9.180 13.211 -18.893 1.00 0.00 O ATOM 940 CB ARG A 63 6.655 14.716 -20.145 1.00 0.00 C ATOM 941 CG ARG A 63 7.313 14.057 -21.347 1.00 0.00 C ATOM 942 CD ARG A 63 6.316 13.786 -22.462 1.00 0.00 C ATOM 943 NE ARG A 63 5.318 12.784 -22.087 1.00 0.00 N ATOM 944 CZ ARG A 63 4.003 12.999 -22.118 1.00 0.00 C ATOM 945 NH1 ARG A 63 3.527 14.188 -22.479 1.00 0.00 N ATOM 946 NH2 ARG A 63 3.168 12.021 -21.792 1.00 0.00 N ATOM 0 H ARG A 63 9.181 15.542 -20.304 1.00 0.00 H new ATOM 0 HA ARG A 63 7.076 15.562 -18.224 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.865 14.064 -19.773 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.179 15.642 -20.466 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.111 14.699 -21.721 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.776 13.120 -21.039 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.812 14.715 -22.728 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.851 13.448 -23.349 1.00 0.00 H new ATOM 0 HE ARG A 63 5.648 11.868 -21.784 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.169 14.939 -22.733 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.520 14.349 -22.502 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.533 11.109 -21.519 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.161 12.182 -21.814 1.00 0.00 H new ATOM 960 N LEU A 64 7.547 13.258 -17.350 1.00 0.00 N ATOM 961 CA LEU A 64 7.963 12.018 -16.718 1.00 0.00 C ATOM 962 C LEU A 64 7.604 10.852 -17.629 1.00 0.00 C ATOM 963 O LEU A 64 6.431 10.616 -17.922 1.00 0.00 O ATOM 964 CB LEU A 64 7.288 11.868 -15.344 1.00 0.00 C ATOM 965 CG LEU A 64 8.009 10.968 -14.324 1.00 0.00 C ATOM 966 CD1 LEU A 64 8.011 9.509 -14.760 1.00 0.00 C ATOM 967 CD2 LEU A 64 9.433 11.456 -14.101 1.00 0.00 C ATOM 0 H LEU A 64 6.743 13.707 -16.912 1.00 0.00 H new ATOM 0 HA LEU A 64 9.042 12.029 -16.561 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.178 12.860 -14.907 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.283 11.474 -15.498 1.00 0.00 H new ATOM 0 HG LEU A 64 7.460 11.030 -13.384 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.529 8.907 -14.014 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.984 9.158 -14.860 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.521 9.416 -15.719 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.930 10.810 -13.377 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.978 11.431 -15.045 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.412 12.477 -13.721 1.00 0.00 H new ATOM 979 N GLY A 65 8.620 10.142 -18.087 1.00 0.00 N ATOM 980 CA GLY A 65 8.404 9.035 -18.985 1.00 0.00 C ATOM 981 C GLY A 65 8.026 7.780 -18.248 1.00 0.00 C ATOM 982 O GLY A 65 8.892 7.018 -17.848 1.00 0.00 O ATOM 0 H GLY A 65 9.597 10.316 -17.850 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.616 9.291 -19.694 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.309 8.856 -19.565 1.00 0.00 H new ATOM 986 N ARG A 66 6.734 7.553 -18.086 1.00 0.00 N ATOM 987 CA ARG A 66 6.239 6.397 -17.348 1.00 0.00 C ATOM 988 C ARG A 66 6.685 5.071 -17.978 1.00 0.00 C ATOM 989 O ARG A 66 6.606 4.020 -17.345 1.00 0.00 O ATOM 990 CB ARG A 66 4.716 6.460 -17.230 1.00 0.00 C ATOM 991 CG ARG A 66 3.998 6.657 -18.554 1.00 0.00 C ATOM 992 CD ARG A 66 2.518 6.915 -18.334 1.00 0.00 C ATOM 993 NE ARG A 66 1.789 7.090 -19.589 1.00 0.00 N ATOM 994 CZ ARG A 66 0.480 7.330 -19.652 1.00 0.00 C ATOM 995 NH1 ARG A 66 -0.232 7.424 -18.534 1.00 0.00 N ATOM 996 NH2 ARG A 66 -0.114 7.477 -20.831 1.00 0.00 N ATOM 0 H ARG A 66 6.001 8.157 -18.458 1.00 0.00 H new ATOM 0 HA ARG A 66 6.674 6.433 -16.349 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.360 5.538 -16.770 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.448 7.276 -16.559 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.441 7.495 -19.092 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.128 5.773 -19.178 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.086 6.082 -17.779 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.395 7.806 -17.719 1.00 0.00 H new ATOM 0 HE ARG A 66 2.310 7.025 -20.463 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.224 7.312 -17.628 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.234 7.608 -18.582 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.432 7.406 -21.690 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.116 7.661 -20.878 1.00 0.00 H new ATOM 1010 N GLU A 67 7.163 5.120 -19.219 1.00 0.00 N ATOM 1011 CA GLU A 67 7.686 3.926 -19.883 1.00 0.00 C ATOM 1012 C GLU A 67 8.971 3.417 -19.215 1.00 0.00 C ATOM 1013 O GLU A 67 9.301 2.234 -19.331 1.00 0.00 O ATOM 1014 CB GLU A 67 7.932 4.167 -21.380 1.00 0.00 C ATOM 1015 CG GLU A 67 8.540 5.519 -21.717 1.00 0.00 C ATOM 1016 CD GLU A 67 7.486 6.568 -22.003 1.00 0.00 C ATOM 1017 OE1 GLU A 67 7.084 6.706 -23.177 1.00 0.00 O ATOM 1018 OE2 GLU A 67 7.043 7.247 -21.061 1.00 0.00 O ATOM 0 H GLU A 67 7.200 5.969 -19.784 1.00 0.00 H new ATOM 0 HA GLU A 67 6.920 3.158 -19.781 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.591 3.384 -21.756 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.985 4.068 -21.910 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.164 5.851 -20.887 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.192 5.416 -22.585 1.00 0.00 H new ATOM 1025 N GLN A 68 9.689 4.305 -18.516 1.00 0.00 N ATOM 1026 CA GLN A 68 10.942 3.931 -17.843 1.00 0.00 C ATOM 1027 C GLN A 68 10.714 2.787 -16.860 1.00 0.00 C ATOM 1028 O GLN A 68 11.579 1.928 -16.677 1.00 0.00 O ATOM 1029 CB GLN A 68 11.560 5.144 -17.115 1.00 0.00 C ATOM 1030 CG GLN A 68 10.656 5.789 -16.066 1.00 0.00 C ATOM 1031 CD GLN A 68 10.948 5.353 -14.642 1.00 0.00 C ATOM 1032 OE1 GLN A 68 11.400 4.243 -14.393 1.00 0.00 O ATOM 1033 NE2 GLN A 68 10.680 6.235 -13.692 1.00 0.00 N ATOM 0 H GLN A 68 9.426 5.284 -18.401 1.00 0.00 H new ATOM 0 HA GLN A 68 11.641 3.594 -18.608 1.00 0.00 H new ATOM 0 HB2 GLN A 68 12.485 4.828 -16.633 1.00 0.00 H new ATOM 0 HB3 GLN A 68 11.828 5.897 -17.856 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.758 6.872 -16.131 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.618 5.552 -16.301 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.304 7.151 -13.938 1.00 0.00 H new ATOM 0 HE22 GLN A 68 10.850 5.999 -12.714 1.00 0.00 H new ATOM 1042 N LEU A 69 9.526 2.770 -16.265 1.00 0.00 N ATOM 1043 CA LEU A 69 9.180 1.802 -15.232 1.00 0.00 C ATOM 1044 C LEU A 69 9.316 0.376 -15.752 1.00 0.00 C ATOM 1045 O LEU A 69 9.858 -0.495 -15.071 1.00 0.00 O ATOM 1046 CB LEU A 69 7.747 2.051 -14.753 1.00 0.00 C ATOM 1047 CG LEU A 69 7.456 3.485 -14.303 1.00 0.00 C ATOM 1048 CD1 LEU A 69 5.967 3.684 -14.083 1.00 0.00 C ATOM 1049 CD2 LEU A 69 8.228 3.822 -13.038 1.00 0.00 C ATOM 0 H LEU A 69 8.777 3.426 -16.485 1.00 0.00 H new ATOM 0 HA LEU A 69 9.870 1.925 -14.397 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.060 1.793 -15.559 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.534 1.376 -13.924 1.00 0.00 H new ATOM 0 HG LEU A 69 7.783 4.161 -15.093 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.780 4.709 -13.764 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.433 3.491 -15.013 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.618 2.995 -13.314 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.005 4.846 -12.738 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.936 3.138 -12.241 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.297 3.724 -13.227 1.00 0.00 H new ATOM 1061 N GLN A 70 8.850 0.158 -16.976 1.00 0.00 N ATOM 1062 CA GLN A 70 8.856 -1.169 -17.581 1.00 0.00 C ATOM 1063 C GLN A 70 10.277 -1.680 -17.789 1.00 0.00 C ATOM 1064 O GLN A 70 10.559 -2.858 -17.578 1.00 0.00 O ATOM 1065 CB GLN A 70 8.110 -1.145 -18.916 1.00 0.00 C ATOM 1066 CG GLN A 70 6.625 -0.848 -18.776 1.00 0.00 C ATOM 1067 CD GLN A 70 5.890 -1.897 -17.960 1.00 0.00 C ATOM 1068 OE1 GLN A 70 4.911 -1.594 -17.277 1.00 0.00 O ATOM 1069 NE2 GLN A 70 6.343 -3.140 -18.034 1.00 0.00 N ATOM 0 H GLN A 70 8.461 0.888 -17.572 1.00 0.00 H new ATOM 0 HA GLN A 70 8.349 -1.849 -16.896 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.563 -0.394 -19.563 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.235 -2.108 -19.410 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.497 0.127 -18.306 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.176 -0.785 -19.767 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.157 -3.353 -18.611 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.878 -3.884 -17.514 1.00 0.00 H new ATOM 1078 N ILE A 71 11.172 -0.787 -18.182 1.00 0.00 N ATOM 1079 CA ILE A 71 12.546 -1.167 -18.466 1.00 0.00 C ATOM 1080 C ILE A 71 13.313 -1.438 -17.173 1.00 0.00 C ATOM 1081 O ILE A 71 14.165 -2.326 -17.120 1.00 0.00 O ATOM 1082 CB ILE A 71 13.265 -0.080 -19.299 1.00 0.00 C ATOM 1083 CG1 ILE A 71 12.483 0.182 -20.591 1.00 0.00 C ATOM 1084 CG2 ILE A 71 14.697 -0.500 -19.613 1.00 0.00 C ATOM 1085 CD1 ILE A 71 13.084 1.258 -21.468 1.00 0.00 C ATOM 0 H ILE A 71 10.971 0.205 -18.311 1.00 0.00 H new ATOM 0 HA ILE A 71 12.521 -2.085 -19.053 1.00 0.00 H new ATOM 0 HB ILE A 71 13.306 0.841 -18.717 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.423 -0.745 -21.161 1.00 0.00 H new ATOM 0 HG13 ILE A 71 11.462 0.465 -20.334 1.00 0.00 H new ATOM 0 HG21 ILE A 71 15.184 0.279 -20.200 1.00 0.00 H new ATOM 0 HG22 ILE A 71 15.245 -0.650 -18.683 1.00 0.00 H new ATOM 0 HG23 ILE A 71 14.687 -1.430 -20.182 1.00 0.00 H new ATOM 0 HD11 ILE A 71 12.472 1.383 -22.361 1.00 0.00 H new ATOM 0 HD12 ILE A 71 13.119 2.198 -20.918 1.00 0.00 H new ATOM 0 HD13 ILE A 71 14.094 0.969 -21.757 1.00 0.00 H new ATOM 1097 N LEU A 72 12.991 -0.689 -16.124 1.00 0.00 N ATOM 1098 CA LEU A 72 13.668 -0.853 -14.844 1.00 0.00 C ATOM 1099 C LEU A 72 13.195 -2.112 -14.123 1.00 0.00 C ATOM 1100 O LEU A 72 13.996 -2.826 -13.519 1.00 0.00 O ATOM 1101 CB LEU A 72 13.455 0.369 -13.944 1.00 0.00 C ATOM 1102 CG LEU A 72 13.937 1.706 -14.516 1.00 0.00 C ATOM 1103 CD1 LEU A 72 13.931 2.775 -13.434 1.00 0.00 C ATOM 1104 CD2 LEU A 72 15.325 1.571 -15.123 1.00 0.00 C ATOM 0 H LEU A 72 12.270 0.033 -16.135 1.00 0.00 H new ATOM 0 HA LEU A 72 14.733 -0.952 -15.055 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.391 0.452 -13.721 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.966 0.194 -12.997 1.00 0.00 H new ATOM 0 HG LEU A 72 13.251 2.005 -15.308 1.00 0.00 H new ATOM 0 HD11 LEU A 72 14.276 3.720 -13.854 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.919 2.897 -13.049 1.00 0.00 H new ATOM 0 HD13 LEU A 72 14.594 2.475 -12.623 1.00 0.00 H new ATOM 0 HD21 LEU A 72 15.643 2.534 -15.522 1.00 0.00 H new ATOM 0 HD22 LEU A 72 16.028 1.246 -14.356 1.00 0.00 H new ATOM 0 HD23 LEU A 72 15.300 0.836 -15.927 1.00 0.00 H new ATOM 1116 N LEU A 73 11.897 -2.399 -14.197 1.00 0.00 N ATOM 1117 CA LEU A 73 11.336 -3.538 -13.474 1.00 0.00 C ATOM 1118 C LEU A 73 11.837 -4.869 -14.036 1.00 0.00 C ATOM 1119 O LEU A 73 11.875 -5.872 -13.324 1.00 0.00 O ATOM 1120 CB LEU A 73 9.794 -3.478 -13.434 1.00 0.00 C ATOM 1121 CG LEU A 73 9.050 -3.484 -14.779 1.00 0.00 C ATOM 1122 CD1 LEU A 73 8.936 -4.890 -15.345 1.00 0.00 C ATOM 1123 CD2 LEU A 73 7.667 -2.873 -14.617 1.00 0.00 C ATOM 0 H LEU A 73 11.221 -1.866 -14.744 1.00 0.00 H new ATOM 0 HA LEU A 73 11.690 -3.474 -12.445 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.439 -4.327 -12.849 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.506 -2.576 -12.894 1.00 0.00 H new ATOM 0 HG LEU A 73 9.628 -2.884 -15.482 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.405 -4.857 -16.296 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.933 -5.302 -15.500 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.388 -5.521 -14.645 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.150 -2.883 -15.577 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.096 -3.452 -13.891 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.762 -1.845 -14.267 1.00 0.00 H new ATOM 1135 N GLU A 74 12.224 -4.880 -15.308 1.00 0.00 N ATOM 1136 CA GLU A 74 12.743 -6.095 -15.934 1.00 0.00 C ATOM 1137 C GLU A 74 14.214 -6.317 -15.587 1.00 0.00 C ATOM 1138 O GLU A 74 14.777 -7.375 -15.872 1.00 0.00 O ATOM 1139 CB GLU A 74 12.564 -6.044 -17.453 1.00 0.00 C ATOM 1140 CG GLU A 74 11.111 -6.104 -17.897 1.00 0.00 C ATOM 1141 CD GLU A 74 10.962 -6.103 -19.402 1.00 0.00 C ATOM 1142 OE1 GLU A 74 11.001 -7.195 -20.012 1.00 0.00 O ATOM 1143 OE2 GLU A 74 10.806 -5.013 -19.988 1.00 0.00 O ATOM 0 H GLU A 74 12.189 -4.067 -15.924 1.00 0.00 H new ATOM 0 HA GLU A 74 12.170 -6.934 -15.540 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.014 -5.127 -17.833 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.107 -6.875 -17.903 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.648 -7.003 -17.490 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.573 -5.252 -17.482 1.00 0.00 H new ATOM 1150 N GLN A 75 14.835 -5.322 -14.966 1.00 0.00 N ATOM 1151 CA GLN A 75 16.232 -5.434 -14.560 1.00 0.00 C ATOM 1152 C GLN A 75 16.352 -6.209 -13.255 1.00 0.00 C ATOM 1153 O GLN A 75 17.362 -6.868 -13.008 1.00 0.00 O ATOM 1154 CB GLN A 75 16.858 -4.051 -14.408 1.00 0.00 C ATOM 1155 CG GLN A 75 16.954 -3.285 -15.715 1.00 0.00 C ATOM 1156 CD GLN A 75 17.493 -1.882 -15.529 1.00 0.00 C ATOM 1157 OE1 GLN A 75 18.278 -1.620 -14.620 1.00 0.00 O ATOM 1158 NE2 GLN A 75 17.078 -0.972 -16.395 1.00 0.00 N ATOM 0 H GLN A 75 14.396 -4.431 -14.733 1.00 0.00 H new ATOM 0 HA GLN A 75 16.769 -5.977 -15.338 1.00 0.00 H new ATOM 0 HB2 GLN A 75 16.270 -3.470 -13.698 1.00 0.00 H new ATOM 0 HB3 GLN A 75 17.856 -4.157 -13.984 1.00 0.00 H new ATOM 0 HG2 GLN A 75 17.599 -3.830 -16.405 1.00 0.00 H new ATOM 0 HG3 GLN A 75 15.967 -3.233 -16.175 1.00 0.00 H new ATOM 0 HE21 GLN A 75 16.426 -1.232 -17.135 1.00 0.00 H new ATOM 0 HE22 GLN A 75 17.410 -0.010 -16.323 1.00 0.00 H new ATOM 1167 N ASN A 76 15.318 -6.094 -12.419 1.00 0.00 N ATOM 1168 CA ASN A 76 15.197 -6.846 -11.160 1.00 0.00 C ATOM 1169 C ASN A 76 16.101 -6.284 -10.064 1.00 0.00 C ATOM 1170 O ASN A 76 15.766 -6.350 -8.880 1.00 0.00 O ATOM 1171 CB ASN A 76 15.508 -8.341 -11.358 1.00 0.00 C ATOM 1172 CG ASN A 76 14.569 -9.044 -12.328 1.00 0.00 C ATOM 1173 OD1 ASN A 76 14.985 -9.946 -13.057 1.00 0.00 O ATOM 1174 ND2 ASN A 76 13.300 -8.664 -12.331 1.00 0.00 N ATOM 0 H ASN A 76 14.530 -5.470 -12.596 1.00 0.00 H new ATOM 0 HA ASN A 76 14.160 -6.737 -10.844 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.531 -8.444 -11.719 1.00 0.00 H new ATOM 0 HB3 ASN A 76 15.459 -8.843 -10.392 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.632 -9.122 -12.951 1.00 0.00 H new ATOM 0 HD22 ASN A 76 12.991 -7.913 -11.714 1.00 0.00 H new ATOM 1181 N ILE A 77 17.231 -5.709 -10.455 1.00 0.00 N ATOM 1182 CA ILE A 77 18.255 -5.316 -9.511 1.00 0.00 C ATOM 1183 C ILE A 77 18.023 -3.917 -8.930 1.00 0.00 C ATOM 1184 O ILE A 77 18.828 -3.003 -9.102 1.00 0.00 O ATOM 1185 CB ILE A 77 19.653 -5.452 -10.163 1.00 0.00 C ATOM 1186 CG1 ILE A 77 19.669 -4.957 -11.625 1.00 0.00 C ATOM 1187 CG2 ILE A 77 20.078 -6.908 -10.123 1.00 0.00 C ATOM 1188 CD1 ILE A 77 19.688 -3.453 -11.803 1.00 0.00 C ATOM 0 H ILE A 77 17.457 -5.506 -11.429 1.00 0.00 H new ATOM 0 HA ILE A 77 18.201 -5.995 -8.660 1.00 0.00 H new ATOM 0 HB ILE A 77 20.346 -4.829 -9.598 1.00 0.00 H new ATOM 0 HG12 ILE A 77 20.544 -5.376 -12.123 1.00 0.00 H new ATOM 0 HG13 ILE A 77 18.792 -5.355 -12.135 1.00 0.00 H new ATOM 0 HG21 ILE A 77 21.062 -7.013 -10.580 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.121 -7.246 -9.088 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.356 -7.513 -10.672 1.00 0.00 H new ATOM 0 HD11 ILE A 77 19.698 -3.213 -12.866 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.800 -3.021 -11.342 1.00 0.00 H new ATOM 0 HD13 ILE A 77 20.579 -3.042 -11.329 1.00 0.00 H new ATOM 1200 N ASN A 78 16.918 -3.773 -8.208 1.00 0.00 N ATOM 1201 CA ASN A 78 16.571 -2.510 -7.556 1.00 0.00 C ATOM 1202 C ASN A 78 17.662 -2.096 -6.573 1.00 0.00 C ATOM 1203 O ASN A 78 17.962 -0.919 -6.424 1.00 0.00 O ATOM 1204 CB ASN A 78 15.233 -2.639 -6.820 1.00 0.00 C ATOM 1205 CG ASN A 78 14.823 -1.354 -6.120 1.00 0.00 C ATOM 1206 OD1 ASN A 78 15.096 -0.255 -6.597 1.00 0.00 O ATOM 1207 ND2 ASN A 78 14.177 -1.487 -4.974 1.00 0.00 N ATOM 0 H ASN A 78 16.240 -4.520 -8.057 1.00 0.00 H new ATOM 0 HA ASN A 78 16.481 -1.743 -8.326 1.00 0.00 H new ATOM 0 HB2 ASN A 78 14.458 -2.924 -7.531 1.00 0.00 H new ATOM 0 HB3 ASN A 78 15.303 -3.442 -6.086 1.00 0.00 H new ATOM 0 HD21 ASN A 78 13.887 -0.659 -4.453 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.969 -2.417 -4.611 1.00 0.00 H new ATOM 1214 N GLU A 79 18.267 -3.081 -5.925 1.00 0.00 N ATOM 1215 CA GLU A 79 19.355 -2.837 -4.983 1.00 0.00 C ATOM 1216 C GLU A 79 20.552 -2.197 -5.691 1.00 0.00 C ATOM 1217 O GLU A 79 21.331 -1.458 -5.089 1.00 0.00 O ATOM 1218 CB GLU A 79 19.771 -4.157 -4.326 1.00 0.00 C ATOM 1219 CG GLU A 79 20.758 -3.998 -3.183 1.00 0.00 C ATOM 1220 CD GLU A 79 20.201 -3.165 -2.052 1.00 0.00 C ATOM 1221 OE1 GLU A 79 19.265 -3.630 -1.369 1.00 0.00 O ATOM 1222 OE2 GLU A 79 20.701 -2.046 -1.833 1.00 0.00 O ATOM 0 H GLU A 79 18.022 -4.065 -6.034 1.00 0.00 H new ATOM 0 HA GLU A 79 19.007 -2.146 -4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 79 18.879 -4.662 -3.954 1.00 0.00 H new ATOM 0 HB3 GLU A 79 20.211 -4.805 -5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 79 21.033 -4.982 -2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 79 21.671 -3.534 -3.557 1.00 0.00 H new ATOM 1229 N ARG A 80 20.681 -2.493 -6.976 1.00 0.00 N ATOM 1230 CA ARG A 80 21.824 -2.053 -7.762 1.00 0.00 C ATOM 1231 C ARG A 80 21.619 -0.664 -8.361 1.00 0.00 C ATOM 1232 O ARG A 80 22.537 0.156 -8.357 1.00 0.00 O ATOM 1233 CB ARG A 80 22.101 -3.074 -8.863 1.00 0.00 C ATOM 1234 CG ARG A 80 22.950 -4.239 -8.386 1.00 0.00 C ATOM 1235 CD ARG A 80 23.301 -5.196 -9.512 1.00 0.00 C ATOM 1236 NE ARG A 80 24.158 -6.281 -9.039 1.00 0.00 N ATOM 1237 CZ ARG A 80 24.867 -7.081 -9.834 1.00 0.00 C ATOM 1238 NH1 ARG A 80 24.774 -6.970 -11.154 1.00 0.00 N ATOM 1239 NH2 ARG A 80 25.658 -8.004 -9.302 1.00 0.00 N ATOM 0 H ARG A 80 20.000 -3.042 -7.501 1.00 0.00 H new ATOM 0 HA ARG A 80 22.683 -1.982 -7.095 1.00 0.00 H new ATOM 0 HB2 ARG A 80 21.154 -3.454 -9.246 1.00 0.00 H new ATOM 0 HB3 ARG A 80 22.605 -2.579 -9.693 1.00 0.00 H new ATOM 0 HG2 ARG A 80 23.867 -3.857 -7.937 1.00 0.00 H new ATOM 0 HG3 ARG A 80 22.415 -4.780 -7.606 1.00 0.00 H new ATOM 0 HD2 ARG A 80 22.387 -5.611 -9.938 1.00 0.00 H new ATOM 0 HD3 ARG A 80 23.806 -4.652 -10.310 1.00 0.00 H new ATOM 0 HE ARG A 80 24.217 -6.436 -8.033 1.00 0.00 H new ATOM 0 HH11 ARG A 80 24.157 -6.269 -11.565 1.00 0.00 H new ATOM 0 HH12 ARG A 80 25.320 -7.586 -11.757 1.00 0.00 H new ATOM 0 HH21 ARG A 80 25.721 -8.099 -8.288 1.00 0.00 H new ATOM 0 HH22 ARG A 80 26.203 -8.619 -9.907 1.00 0.00 H new ATOM 1253 N LEU A 81 20.425 -0.403 -8.874 1.00 0.00 N ATOM 1254 CA LEU A 81 20.150 0.869 -9.534 1.00 0.00 C ATOM 1255 C LEU A 81 19.517 1.870 -8.570 1.00 0.00 C ATOM 1256 O LEU A 81 19.692 3.080 -8.716 1.00 0.00 O ATOM 1257 CB LEU A 81 19.235 0.650 -10.740 1.00 0.00 C ATOM 1258 CG LEU A 81 18.995 1.886 -11.611 1.00 0.00 C ATOM 1259 CD1 LEU A 81 20.301 2.376 -12.216 1.00 0.00 C ATOM 1260 CD2 LEU A 81 17.985 1.576 -12.702 1.00 0.00 C ATOM 0 H LEU A 81 19.636 -1.048 -8.847 1.00 0.00 H new ATOM 0 HA LEU A 81 21.099 1.283 -9.874 1.00 0.00 H new ATOM 0 HB2 LEU A 81 19.663 -0.135 -11.363 1.00 0.00 H new ATOM 0 HB3 LEU A 81 18.272 0.284 -10.383 1.00 0.00 H new ATOM 0 HG LEU A 81 18.592 2.679 -10.981 1.00 0.00 H new ATOM 0 HD11 LEU A 81 20.110 3.255 -12.832 1.00 0.00 H new ATOM 0 HD12 LEU A 81 20.997 2.636 -11.418 1.00 0.00 H new ATOM 0 HD13 LEU A 81 20.734 1.589 -12.833 1.00 0.00 H new ATOM 0 HD21 LEU A 81 17.825 2.464 -13.313 1.00 0.00 H new ATOM 0 HD22 LEU A 81 18.363 0.768 -13.329 1.00 0.00 H new ATOM 0 HD23 LEU A 81 17.041 1.273 -12.249 1.00 0.00 H new ATOM 1272 N ASN A 82 18.795 1.345 -7.583 1.00 0.00 N ATOM 1273 CA ASN A 82 18.085 2.155 -6.594 1.00 0.00 C ATOM 1274 C ASN A 82 16.977 2.979 -7.235 1.00 0.00 C ATOM 1275 O ASN A 82 17.175 4.130 -7.623 1.00 0.00 O ATOM 1276 CB ASN A 82 19.042 3.057 -5.807 1.00 0.00 C ATOM 1277 CG ASN A 82 19.896 2.275 -4.830 1.00 0.00 C ATOM 1278 OD1 ASN A 82 20.995 1.828 -5.160 1.00 0.00 O ATOM 1279 ND2 ASN A 82 19.406 2.111 -3.611 1.00 0.00 N ATOM 0 H ASN A 82 18.685 0.340 -7.445 1.00 0.00 H new ATOM 0 HA ASN A 82 17.625 1.461 -5.891 1.00 0.00 H new ATOM 0 HB2 ASN A 82 19.688 3.593 -6.503 1.00 0.00 H new ATOM 0 HB3 ASN A 82 18.467 3.807 -5.264 1.00 0.00 H new ATOM 0 HD21 ASN A 82 19.943 1.600 -2.910 1.00 0.00 H new ATOM 0 HD22 ASN A 82 18.492 2.495 -3.373 1.00 0.00 H new ATOM 1286 N ILE A 83 15.811 2.365 -7.358 1.00 0.00 N ATOM 1287 CA ILE A 83 14.641 3.041 -7.887 1.00 0.00 C ATOM 1288 C ILE A 83 13.951 3.810 -6.762 1.00 0.00 C ATOM 1289 O ILE A 83 13.763 3.280 -5.667 1.00 0.00 O ATOM 1290 CB ILE A 83 13.648 2.044 -8.551 1.00 0.00 C ATOM 1291 CG1 ILE A 83 14.196 1.525 -9.890 1.00 0.00 C ATOM 1292 CG2 ILE A 83 12.285 2.687 -8.766 1.00 0.00 C ATOM 1293 CD1 ILE A 83 15.359 0.563 -9.769 1.00 0.00 C ATOM 0 H ILE A 83 15.651 1.392 -7.096 1.00 0.00 H new ATOM 0 HA ILE A 83 14.967 3.734 -8.662 1.00 0.00 H new ATOM 0 HB ILE A 83 13.532 1.201 -7.870 1.00 0.00 H new ATOM 0 HG12 ILE A 83 13.388 1.031 -10.430 1.00 0.00 H new ATOM 0 HG13 ILE A 83 14.509 2.377 -10.494 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.612 1.967 -9.231 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.874 2.999 -7.806 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.391 3.556 -9.415 1.00 0.00 H new ATOM 0 HD11 ILE A 83 15.678 0.251 -10.763 1.00 0.00 H new ATOM 0 HD12 ILE A 83 16.187 1.056 -9.260 1.00 0.00 H new ATOM 0 HD13 ILE A 83 15.050 -0.311 -9.196 1.00 0.00 H new ATOM 1305 N GLY A 84 13.601 5.064 -7.038 1.00 0.00 N ATOM 1306 CA GLY A 84 13.008 5.923 -6.028 1.00 0.00 C ATOM 1307 C GLY A 84 11.749 5.345 -5.409 1.00 0.00 C ATOM 1308 O GLY A 84 11.000 4.616 -6.062 1.00 0.00 O ATOM 0 H GLY A 84 13.719 5.503 -7.951 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.740 6.105 -5.241 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.774 6.889 -6.475 1.00 0.00 H new ATOM 1312 N GLU A 85 11.508 5.695 -4.155 1.00 0.00 N ATOM 1313 CA GLU A 85 10.354 5.190 -3.418 1.00 0.00 C ATOM 1314 C GLU A 85 9.032 5.658 -4.050 1.00 0.00 C ATOM 1315 O GLU A 85 8.139 4.839 -4.276 1.00 0.00 O ATOM 1316 CB GLU A 85 10.437 5.596 -1.942 1.00 0.00 C ATOM 1317 CG GLU A 85 9.297 5.059 -1.094 1.00 0.00 C ATOM 1318 CD GLU A 85 9.462 5.398 0.369 1.00 0.00 C ATOM 1319 OE1 GLU A 85 10.130 4.625 1.088 1.00 0.00 O ATOM 1320 OE2 GLU A 85 8.929 6.437 0.813 1.00 0.00 O ATOM 0 H GLU A 85 12.100 6.331 -3.621 1.00 0.00 H new ATOM 0 HA GLU A 85 10.371 4.102 -3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.382 5.242 -1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.447 6.684 -1.874 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.354 5.469 -1.456 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.240 3.977 -1.210 1.00 0.00 H new ATOM 1327 N PRO A 86 8.874 6.969 -4.365 1.00 0.00 N ATOM 1328 CA PRO A 86 7.677 7.457 -5.062 1.00 0.00 C ATOM 1329 C PRO A 86 7.552 6.856 -6.462 1.00 0.00 C ATOM 1330 O PRO A 86 6.483 6.867 -7.068 1.00 0.00 O ATOM 1331 CB PRO A 86 7.887 8.974 -5.146 1.00 0.00 C ATOM 1332 CG PRO A 86 8.914 9.282 -4.115 1.00 0.00 C ATOM 1333 CD PRO A 86 9.801 8.076 -4.055 1.00 0.00 C ATOM 0 HA PRO A 86 6.761 7.180 -4.540 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.224 9.271 -6.139 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.959 9.512 -4.951 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.482 10.173 -4.382 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.452 9.477 -3.147 1.00 0.00 H new ATOM 0 HD2 PRO A 86 10.614 8.136 -4.778 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.257 7.958 -3.072 1.00 0.00 H new ATOM 1341 N LEU A 87 8.654 6.318 -6.963 1.00 0.00 N ATOM 1342 CA LEU A 87 8.668 5.674 -8.267 1.00 0.00 C ATOM 1343 C LEU A 87 8.106 4.264 -8.147 1.00 0.00 C ATOM 1344 O LEU A 87 7.438 3.766 -9.054 1.00 0.00 O ATOM 1345 CB LEU A 87 10.092 5.633 -8.843 1.00 0.00 C ATOM 1346 CG LEU A 87 10.649 6.959 -9.381 1.00 0.00 C ATOM 1347 CD1 LEU A 87 9.809 7.456 -10.547 1.00 0.00 C ATOM 1348 CD2 LEU A 87 10.725 8.018 -8.290 1.00 0.00 C ATOM 0 H LEU A 87 9.554 6.315 -6.483 1.00 0.00 H new ATOM 0 HA LEU A 87 8.046 6.253 -8.949 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.765 5.270 -8.066 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.113 4.901 -9.650 1.00 0.00 H new ATOM 0 HG LEU A 87 11.664 6.773 -9.733 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.218 8.397 -10.915 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.823 6.716 -11.347 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.782 7.612 -10.215 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.124 8.943 -8.708 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.728 8.201 -7.890 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.378 7.670 -7.490 1.00 0.00 H new ATOM 1360 N LEU A 88 8.366 3.634 -7.006 1.00 0.00 N ATOM 1361 CA LEU A 88 7.859 2.296 -6.732 1.00 0.00 C ATOM 1362 C LEU A 88 6.337 2.301 -6.672 1.00 0.00 C ATOM 1363 O LEU A 88 5.686 1.379 -7.165 1.00 0.00 O ATOM 1364 CB LEU A 88 8.430 1.761 -5.414 1.00 0.00 C ATOM 1365 CG LEU A 88 9.948 1.567 -5.388 1.00 0.00 C ATOM 1366 CD1 LEU A 88 10.407 1.142 -4.001 1.00 0.00 C ATOM 1367 CD2 LEU A 88 10.371 0.539 -6.426 1.00 0.00 C ATOM 0 H LEU A 88 8.928 4.032 -6.253 1.00 0.00 H new ATOM 0 HA LEU A 88 8.177 1.642 -7.544 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.154 2.447 -4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.955 0.805 -5.193 1.00 0.00 H new ATOM 0 HG LEU A 88 10.421 2.518 -5.632 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.489 1.009 -4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.136 1.910 -3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.925 0.202 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.453 0.413 -6.394 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.889 -0.415 -6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.075 0.880 -7.418 1.00 0.00 H new ATOM 1379 N VAL A 89 5.775 3.350 -6.076 1.00 0.00 N ATOM 1380 CA VAL A 89 4.326 3.470 -5.964 1.00 0.00 C ATOM 1381 C VAL A 89 3.710 3.882 -7.299 1.00 0.00 C ATOM 1382 O VAL A 89 2.598 3.465 -7.630 1.00 0.00 O ATOM 1383 CB VAL A 89 3.896 4.456 -4.849 1.00 0.00 C ATOM 1384 CG1 VAL A 89 4.474 4.026 -3.513 1.00 0.00 C ATOM 1385 CG2 VAL A 89 4.307 5.886 -5.167 1.00 0.00 C ATOM 0 H VAL A 89 6.298 4.124 -5.666 1.00 0.00 H new ATOM 0 HA VAL A 89 3.952 2.484 -5.687 1.00 0.00 H new ATOM 0 HB VAL A 89 2.808 4.432 -4.792 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.163 4.728 -2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.112 3.028 -3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.562 4.012 -3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.986 6.545 -4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.391 5.939 -5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.839 6.200 -6.100 1.00 0.00 H new ATOM 1395 N TYR A 90 4.440 4.695 -8.062 1.00 0.00 N ATOM 1396 CA TYR A 90 3.993 5.124 -9.384 1.00 0.00 C ATOM 1397 C TYR A 90 3.887 3.923 -10.318 1.00 0.00 C ATOM 1398 O TYR A 90 2.987 3.843 -11.153 1.00 0.00 O ATOM 1399 CB TYR A 90 4.968 6.148 -9.966 1.00 0.00 C ATOM 1400 CG TYR A 90 4.434 6.874 -11.183 1.00 0.00 C ATOM 1401 CD1 TYR A 90 3.201 7.514 -11.144 1.00 0.00 C ATOM 1402 CD2 TYR A 90 5.162 6.924 -12.365 1.00 0.00 C ATOM 1403 CE1 TYR A 90 2.706 8.179 -12.250 1.00 0.00 C ATOM 1404 CE2 TYR A 90 4.674 7.588 -13.476 1.00 0.00 C ATOM 1405 CZ TYR A 90 3.445 8.213 -13.413 1.00 0.00 C ATOM 1406 OH TYR A 90 2.956 8.875 -14.516 1.00 0.00 O ATOM 0 H TYR A 90 5.347 5.070 -7.784 1.00 0.00 H new ATOM 0 HA TYR A 90 3.011 5.586 -9.286 1.00 0.00 H new ATOM 0 HB2 TYR A 90 5.215 6.880 -9.197 1.00 0.00 H new ATOM 0 HB3 TYR A 90 5.896 5.642 -10.234 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.620 7.491 -10.234 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.124 6.437 -12.417 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.745 8.670 -12.203 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.252 7.617 -14.388 1.00 0.00 H new ATOM 0 HH TYR A 90 2.128 9.342 -14.277 1.00 0.00 H new ATOM 1416 N LEU A 91 4.822 2.993 -10.158 1.00 0.00 N ATOM 1417 CA LEU A 91 4.839 1.766 -10.942 1.00 0.00 C ATOM 1418 C LEU A 91 3.605 0.921 -10.625 1.00 0.00 C ATOM 1419 O LEU A 91 3.071 0.230 -11.492 1.00 0.00 O ATOM 1420 CB LEU A 91 6.135 0.989 -10.648 1.00 0.00 C ATOM 1421 CG LEU A 91 6.415 -0.239 -11.526 1.00 0.00 C ATOM 1422 CD1 LEU A 91 7.911 -0.503 -11.585 1.00 0.00 C ATOM 1423 CD2 LEU A 91 5.698 -1.471 -10.988 1.00 0.00 C ATOM 0 H LEU A 91 5.585 3.068 -9.485 1.00 0.00 H new ATOM 0 HA LEU A 91 4.813 2.010 -12.004 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.975 1.677 -10.747 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.109 0.665 -9.608 1.00 0.00 H new ATOM 0 HG LEU A 91 6.040 -0.033 -12.529 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.102 -1.376 -12.210 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.417 0.364 -12.009 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.288 -0.687 -10.579 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.914 -2.326 -11.629 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.043 -1.680 -9.976 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.623 -1.290 -10.974 1.00 0.00 H new ATOM 1435 N ARG A 92 3.149 0.996 -9.379 1.00 0.00 N ATOM 1436 CA ARG A 92 1.999 0.217 -8.939 1.00 0.00 C ATOM 1437 C ARG A 92 0.704 0.801 -9.490 1.00 0.00 C ATOM 1438 O ARG A 92 -0.119 0.079 -10.059 1.00 0.00 O ATOM 1439 CB ARG A 92 1.943 0.149 -7.411 1.00 0.00 C ATOM 1440 CG ARG A 92 3.138 -0.559 -6.791 1.00 0.00 C ATOM 1441 CD ARG A 92 3.336 -1.945 -7.388 1.00 0.00 C ATOM 1442 NE ARG A 92 2.137 -2.771 -7.263 1.00 0.00 N ATOM 1443 CZ ARG A 92 1.629 -3.502 -8.254 1.00 0.00 C ATOM 1444 NH1 ARG A 92 2.229 -3.528 -9.440 1.00 0.00 N ATOM 1445 NH2 ARG A 92 0.524 -4.208 -8.060 1.00 0.00 N ATOM 0 H ARG A 92 3.559 1.588 -8.657 1.00 0.00 H new ATOM 0 HA ARG A 92 2.112 -0.795 -9.327 1.00 0.00 H new ATOM 0 HB2 ARG A 92 1.884 1.162 -7.012 1.00 0.00 H new ATOM 0 HB3 ARG A 92 1.030 -0.366 -7.111 1.00 0.00 H new ATOM 0 HG2 ARG A 92 4.037 0.037 -6.947 1.00 0.00 H new ATOM 0 HG3 ARG A 92 2.994 -0.643 -5.714 1.00 0.00 H new ATOM 0 HD2 ARG A 92 3.604 -1.852 -8.440 1.00 0.00 H new ATOM 0 HD3 ARG A 92 4.170 -2.439 -6.889 1.00 0.00 H new ATOM 0 HE ARG A 92 1.660 -2.789 -6.362 1.00 0.00 H new ATOM 0 HH11 ARG A 92 3.080 -2.987 -9.593 1.00 0.00 H new ATOM 0 HH12 ARG A 92 1.838 -4.089 -10.197 1.00 0.00 H new ATOM 0 HH21 ARG A 92 0.062 -4.192 -7.151 1.00 0.00 H new ATOM 0 HH22 ARG A 92 0.136 -4.767 -8.820 1.00 0.00 H new ATOM 1459 N ARG A 93 0.520 2.104 -9.320 1.00 0.00 N ATOM 1460 CA ARG A 93 -0.649 2.778 -9.862 1.00 0.00 C ATOM 1461 C ARG A 93 -0.333 4.244 -10.141 1.00 0.00 C ATOM 1462 O ARG A 93 0.257 4.939 -9.310 1.00 0.00 O ATOM 1463 CB ARG A 93 -1.859 2.639 -8.921 1.00 0.00 C ATOM 1464 CG ARG A 93 -1.823 3.527 -7.685 1.00 0.00 C ATOM 1465 CD ARG A 93 -3.028 3.270 -6.796 1.00 0.00 C ATOM 1466 NE ARG A 93 -3.306 4.385 -5.888 1.00 0.00 N ATOM 1467 CZ ARG A 93 -4.075 4.282 -4.800 1.00 0.00 C ATOM 1468 NH1 ARG A 93 -4.514 3.096 -4.400 1.00 0.00 N ATOM 1469 NH2 ARG A 93 -4.386 5.366 -4.100 1.00 0.00 N ATOM 0 H ARG A 93 1.163 2.712 -8.813 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.914 2.299 -10.805 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -2.765 2.864 -9.484 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.932 1.600 -8.600 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.907 3.340 -7.125 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.805 4.575 -7.986 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.903 3.088 -7.420 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -2.858 2.365 -6.213 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.889 5.292 -6.098 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -4.265 2.257 -4.924 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -5.101 3.023 -3.569 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -4.038 6.279 -4.392 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -4.973 5.286 -3.270 1.00 0.00 H new ATOM 1483 N GLN A 94 -0.706 4.701 -11.323 1.00 0.00 N ATOM 1484 CA GLN A 94 -0.426 6.066 -11.737 1.00 0.00 C ATOM 1485 C GLN A 94 -1.513 7.020 -11.256 1.00 0.00 C ATOM 1486 O GLN A 94 -2.603 7.081 -11.824 1.00 0.00 O ATOM 1487 CB GLN A 94 -0.279 6.134 -13.258 1.00 0.00 C ATOM 1488 CG GLN A 94 0.946 5.396 -13.770 1.00 0.00 C ATOM 1489 CD GLN A 94 0.998 5.310 -15.281 1.00 0.00 C ATOM 1490 OE1 GLN A 94 0.473 6.171 -15.990 1.00 0.00 O ATOM 1491 NE2 GLN A 94 1.635 4.266 -15.786 1.00 0.00 N ATOM 0 H GLN A 94 -1.206 4.145 -12.017 1.00 0.00 H new ATOM 0 HA GLN A 94 0.513 6.378 -11.280 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.171 5.713 -13.723 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -0.222 7.178 -13.566 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.843 5.899 -13.409 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.956 4.389 -13.354 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.056 3.576 -15.164 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.705 4.152 -16.797 1.00 0.00 H new ATOM 1500 N ASP A 95 -1.211 7.745 -10.186 1.00 0.00 N ATOM 1501 CA ASP A 95 -2.135 8.730 -9.632 1.00 0.00 C ATOM 1502 C ASP A 95 -2.172 9.969 -10.518 1.00 0.00 C ATOM 1503 O ASP A 95 -3.198 10.641 -10.634 1.00 0.00 O ATOM 1504 CB ASP A 95 -1.708 9.108 -8.214 1.00 0.00 C ATOM 1505 CG ASP A 95 -2.712 9.996 -7.509 1.00 0.00 C ATOM 1506 OD1 ASP A 95 -3.818 9.511 -7.194 1.00 0.00 O ATOM 1507 OD2 ASP A 95 -2.391 11.171 -7.235 1.00 0.00 O ATOM 0 H ASP A 95 -0.328 7.669 -9.681 1.00 0.00 H new ATOM 0 HA ASP A 95 -3.134 8.296 -9.595 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -1.563 8.199 -7.630 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -0.746 9.618 -8.254 1.00 0.00 H new ATOM 1512 N LEU A 96 -1.039 10.265 -11.136 1.00 0.00 N ATOM 1513 CA LEU A 96 -0.947 11.350 -12.098 1.00 0.00 C ATOM 1514 C LEU A 96 -0.630 10.767 -13.470 1.00 0.00 C ATOM 1515 O LEU A 96 0.444 10.195 -13.665 1.00 0.00 O ATOM 1516 CB LEU A 96 0.134 12.370 -11.705 1.00 0.00 C ATOM 1517 CG LEU A 96 -0.098 13.132 -10.393 1.00 0.00 C ATOM 1518 CD1 LEU A 96 0.283 12.284 -9.188 1.00 0.00 C ATOM 1519 CD2 LEU A 96 0.682 14.439 -10.396 1.00 0.00 C ATOM 0 H LEU A 96 -0.164 9.763 -10.986 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.902 11.875 -12.118 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.088 11.848 -11.634 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.228 13.097 -12.511 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.161 13.359 -10.317 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.107 12.851 -8.274 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.323 11.378 -9.175 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.337 12.015 -9.251 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.508 14.969 -9.459 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.746 14.227 -10.501 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.351 15.058 -11.230 1.00 0.00 H new ATOM 1531 N PRO A 97 -1.569 10.889 -14.423 1.00 0.00 N ATOM 1532 CA PRO A 97 -1.432 10.301 -15.764 1.00 0.00 C ATOM 1533 C PRO A 97 -0.134 10.704 -16.459 1.00 0.00 C ATOM 1534 O PRO A 97 0.668 9.850 -16.839 1.00 0.00 O ATOM 1535 CB PRO A 97 -2.640 10.859 -16.524 1.00 0.00 C ATOM 1536 CG PRO A 97 -3.638 11.177 -15.468 1.00 0.00 C ATOM 1537 CD PRO A 97 -2.846 11.609 -14.267 1.00 0.00 C ATOM 0 HA PRO A 97 -1.399 9.212 -15.722 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -2.372 11.748 -17.096 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -3.033 10.130 -17.233 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -4.314 11.967 -15.795 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -4.253 10.307 -15.238 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.699 12.689 -14.250 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.348 11.341 -13.337 1.00 0.00 H new ATOM 1545 N GLU A 98 0.069 12.004 -16.621 1.00 0.00 N ATOM 1546 CA GLU A 98 1.261 12.514 -17.281 1.00 0.00 C ATOM 1547 C GLU A 98 1.863 13.653 -16.471 1.00 0.00 C ATOM 1548 O GLU A 98 1.373 14.782 -16.507 1.00 0.00 O ATOM 1549 CB GLU A 98 0.923 12.994 -18.694 1.00 0.00 C ATOM 1550 CG GLU A 98 0.350 11.905 -19.586 1.00 0.00 C ATOM 1551 CD GLU A 98 -0.178 12.451 -20.892 1.00 0.00 C ATOM 1552 OE1 GLU A 98 -1.346 12.888 -20.925 1.00 0.00 O ATOM 1553 OE2 GLU A 98 0.571 12.459 -21.889 1.00 0.00 O ATOM 0 H GLU A 98 -0.578 12.725 -16.303 1.00 0.00 H new ATOM 0 HA GLU A 98 1.991 11.708 -17.352 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.207 13.813 -18.629 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.824 13.395 -19.158 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.122 11.163 -19.791 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.454 11.392 -19.058 1.00 0.00 H new ATOM 1560 N ILE A 99 2.911 13.347 -15.725 1.00 0.00 N ATOM 1561 CA ILE A 99 3.561 14.337 -14.881 1.00 0.00 C ATOM 1562 C ILE A 99 4.502 15.210 -15.704 1.00 0.00 C ATOM 1563 O ILE A 99 5.484 14.721 -16.263 1.00 0.00 O ATOM 1564 CB ILE A 99 4.360 13.670 -13.742 1.00 0.00 C ATOM 1565 CG1 ILE A 99 3.469 12.696 -12.965 1.00 0.00 C ATOM 1566 CG2 ILE A 99 4.935 14.728 -12.807 1.00 0.00 C ATOM 1567 CD1 ILE A 99 4.204 11.912 -11.900 1.00 0.00 C ATOM 0 H ILE A 99 3.331 12.418 -15.686 1.00 0.00 H new ATOM 0 HA ILE A 99 2.775 14.954 -14.445 1.00 0.00 H new ATOM 0 HB ILE A 99 5.186 13.109 -14.179 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.658 13.254 -12.497 1.00 0.00 H new ATOM 0 HG13 ILE A 99 3.012 11.998 -13.666 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.496 14.242 -12.009 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.598 15.387 -13.367 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.122 15.313 -12.376 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.507 11.244 -11.394 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.997 11.325 -12.363 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.638 12.601 -11.175 1.00 0.00 H new ATOM 1579 N THR A 100 4.193 16.492 -15.788 1.00 0.00 N ATOM 1580 CA THR A 100 5.038 17.428 -16.508 1.00 0.00 C ATOM 1581 C THR A 100 5.741 18.382 -15.550 1.00 0.00 C ATOM 1582 O THR A 100 5.123 18.941 -14.639 1.00 0.00 O ATOM 1583 CB THR A 100 4.229 18.229 -17.545 1.00 0.00 C ATOM 1584 OG1 THR A 100 2.945 18.574 -17.007 1.00 0.00 O ATOM 1585 CG2 THR A 100 4.057 17.431 -18.826 1.00 0.00 C ATOM 0 H THR A 100 3.363 16.909 -15.366 1.00 0.00 H new ATOM 0 HA THR A 100 5.792 16.843 -17.034 1.00 0.00 H new ATOM 0 HB THR A 100 4.777 19.142 -17.778 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.438 19.085 -17.672 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.483 18.016 -19.545 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.036 17.201 -19.246 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.528 16.503 -18.608 1.00 0.00 H new ATOM 1593 N ALA A 101 7.036 18.556 -15.756 1.00 0.00 N ATOM 1594 CA ALA A 101 7.831 19.434 -14.919 1.00 0.00 C ATOM 1595 C ALA A 101 8.493 20.515 -15.759 1.00 0.00 C ATOM 1596 O ALA A 101 8.965 20.253 -16.867 1.00 0.00 O ATOM 1597 CB ALA A 101 8.876 18.638 -14.150 1.00 0.00 C ATOM 0 H ALA A 101 7.560 18.097 -16.501 1.00 0.00 H new ATOM 0 HA ALA A 101 7.169 19.915 -14.199 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.463 19.314 -13.528 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.380 17.901 -13.518 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.535 18.128 -14.853 1.00 0.00 H new ATOM 1603 N GLN A 102 8.507 21.728 -15.232 1.00 0.00 N ATOM 1604 CA GLN A 102 9.105 22.862 -15.917 1.00 0.00 C ATOM 1605 C GLN A 102 9.556 23.888 -14.887 1.00 0.00 C ATOM 1606 O GLN A 102 8.974 23.976 -13.804 1.00 0.00 O ATOM 1607 CB GLN A 102 8.107 23.464 -16.911 1.00 0.00 C ATOM 1608 CG GLN A 102 6.793 23.897 -16.286 1.00 0.00 C ATOM 1609 CD GLN A 102 5.696 24.072 -17.316 1.00 0.00 C ATOM 1610 OE1 GLN A 102 5.528 25.149 -17.888 1.00 0.00 O ATOM 1611 NE2 GLN A 102 4.942 23.010 -17.562 1.00 0.00 N ATOM 0 H GLN A 102 8.106 21.954 -14.322 1.00 0.00 H new ATOM 0 HA GLN A 102 9.977 22.536 -16.484 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.568 24.325 -17.395 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.902 22.731 -17.692 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.482 23.156 -15.550 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.939 24.836 -15.751 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.115 22.136 -17.066 1.00 0.00 H new ATOM 0 HE22 GLN A 102 4.189 23.067 -18.248 1.00 0.00 H new