USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 389 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: B 4 GLN : amide:sc= 0.871 K(o=1.9,f=-1.9) USER MOD Set 1.2: B 10 HIS : no HE2:sc= 1.01 K(o=1.9,f=-5.6!) USER MOD Single : A 1 GLY N :NH3+ 130:sc= 0.0472 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.244 K(o=-0.24,f=-3!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -160:sc= -0.291 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0426 X(o=-0.043,f=-0.048) USER MOD Single : A 18 ASN : amide:sc= 0.37 X(o=0.37,f=0) USER MOD Single : A 19 TYR OH : rot -143:sc= 1.11 USER MOD Single : A 21 ASN : amide:sc= 0.0692 K(o=0.069,f=-2.7!) USER MOD Single : B 1 PHE N :NH3+ 144:sc= 0.11 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.596 K(o=0.6,f=-3.3!) USER MOD Single : B 5 HIS : no HD1:sc= -2.84! C(o=-2.8!,f=-5.9!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.116 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.477) USER MOD Single : B 30 THR OG1 : rot 36:sc= 0.684 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.851 1.439 0.120 1.00 25.00 N ATOM 2 CA GLY A 1 4.138 2.429 -0.948 1.00 25.00 C ATOM 3 C GLY A 1 3.173 2.287 -2.095 1.00 25.00 C ATOM 4 O GLY A 1 2.735 1.183 -2.367 1.00 25.00 O ATOM 0 H1 GLY A 1 4.728 0.944 0.379 1.00 25.00 H new ATOM 0 H2 GLY A 1 3.470 1.929 0.955 1.00 25.00 H new ATOM 0 H3 GLY A 1 3.153 0.749 -0.225 1.00 25.00 H new ATOM 0 HA2 GLY A 1 4.075 3.437 -0.539 1.00 25.00 H new ATOM 0 HA3 GLY A 1 5.158 2.294 -1.308 1.00 25.00 H new ATOM 10 N ILE A 2 2.808 3.387 -2.740 1.00 25.00 N ATOM 11 CA ILE A 2 1.764 3.351 -3.766 1.00 25.00 C ATOM 12 C ILE A 2 2.263 2.911 -5.162 1.00 25.00 C ATOM 13 O ILE A 2 1.516 2.341 -5.950 1.00 25.00 O ATOM 14 CB ILE A 2 1.048 4.745 -3.824 1.00 25.00 C ATOM 15 CG1 ILE A 2 -0.346 4.583 -4.444 1.00 25.00 C ATOM 16 CG2 ILE A 2 1.914 5.804 -4.574 1.00 25.00 C ATOM 17 CD1 ILE A 2 -1.224 5.848 -4.415 1.00 25.00 C ATOM 0 H ILE A 2 3.212 4.309 -2.576 1.00 25.00 H new ATOM 0 HA ILE A 2 1.053 2.579 -3.473 1.00 25.00 H new ATOM 0 HB ILE A 2 0.925 5.123 -2.809 1.00 25.00 H new ATOM 0 HG12 ILE A 2 -0.231 4.263 -5.480 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -0.870 3.784 -3.919 1.00 25.00 H new ATOM 0 HG21 ILE A 2 1.386 6.757 -4.594 1.00 25.00 H new ATOM 0 HG22 ILE A 2 2.866 5.927 -4.057 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.096 5.468 -5.595 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -2.188 5.632 -4.876 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -1.377 6.161 -3.382 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -0.729 6.647 -4.967 1.00 25.00 H new ATOM 29 N VAL A 3 3.533 3.148 -5.462 1.00 25.00 N ATOM 30 CA VAL A 3 4.076 2.857 -6.799 1.00 25.00 C ATOM 31 C VAL A 3 3.971 1.376 -7.165 1.00 25.00 C ATOM 32 O VAL A 3 3.598 1.015 -8.279 1.00 25.00 O ATOM 33 CB VAL A 3 5.580 3.285 -6.879 1.00 25.00 C ATOM 34 CG1 VAL A 3 6.175 2.986 -8.271 1.00 25.00 C ATOM 35 CG2 VAL A 3 5.721 4.779 -6.562 1.00 25.00 C ATOM 0 H VAL A 3 4.210 3.539 -4.807 1.00 25.00 H new ATOM 0 HA VAL A 3 3.476 3.428 -7.508 1.00 25.00 H new ATOM 0 HB VAL A 3 6.133 2.704 -6.141 1.00 25.00 H new ATOM 0 HG11 VAL A 3 7.220 3.295 -8.294 1.00 25.00 H new ATOM 0 HG12 VAL A 3 6.108 1.917 -8.473 1.00 25.00 H new ATOM 0 HG13 VAL A 3 5.618 3.535 -9.030 1.00 25.00 H new ATOM 0 HG21 VAL A 3 6.771 5.066 -6.620 1.00 25.00 H new ATOM 0 HG22 VAL A 3 5.145 5.360 -7.283 1.00 25.00 H new ATOM 0 HG23 VAL A 3 5.347 4.975 -5.557 1.00 25.00 H new ATOM 45 N GLU A 4 4.292 0.516 -6.213 1.00 25.00 N ATOM 46 CA GLU A 4 4.315 -0.926 -6.446 1.00 25.00 C ATOM 47 C GLU A 4 2.944 -1.472 -6.829 1.00 25.00 C ATOM 48 O GLU A 4 2.863 -2.446 -7.561 1.00 25.00 O ATOM 49 CB GLU A 4 4.878 -1.692 -5.237 1.00 25.00 C ATOM 50 CG GLU A 4 4.361 -1.252 -3.869 1.00 25.00 C ATOM 51 CD GLU A 4 5.280 -0.271 -3.195 1.00 25.00 C ATOM 52 OE1 GLU A 4 5.516 0.839 -3.617 1.00 25.00 O ATOM 53 OE2 GLU A 4 5.816 -0.722 -2.117 1.00 25.00 O ATOM 0 H GLU A 4 4.543 0.790 -5.263 1.00 25.00 H new ATOM 0 HA GLU A 4 4.984 -1.085 -7.292 1.00 25.00 H new ATOM 0 HB2 GLU A 4 4.653 -2.751 -5.365 1.00 25.00 H new ATOM 0 HB3 GLU A 4 5.964 -1.594 -5.242 1.00 25.00 H new ATOM 0 HG2 GLU A 4 3.375 -0.801 -3.984 1.00 25.00 H new ATOM 0 HG3 GLU A 4 4.239 -2.128 -3.231 1.00 25.00 H new ATOM 61 N GLN A 5 1.879 -0.831 -6.368 1.00 25.00 N ATOM 62 CA GLN A 5 0.519 -1.278 -6.681 1.00 25.00 C ATOM 63 C GLN A 5 0.218 -1.162 -8.181 1.00 25.00 C ATOM 64 O GLN A 5 -0.582 -1.920 -8.712 1.00 25.00 O ATOM 65 CB GLN A 5 -0.494 -0.459 -5.875 1.00 25.00 C ATOM 66 CG GLN A 5 -0.347 -0.641 -4.362 1.00 25.00 C ATOM 67 CD GLN A 5 -1.287 0.242 -3.574 1.00 25.00 C ATOM 68 OE1 GLN A 5 -0.872 1.222 -2.981 1.00 25.00 O ATOM 69 NE2 GLN A 5 -2.544 -0.109 -3.545 1.00 25.00 N ATOM 0 H GLN A 5 1.925 -0.001 -5.777 1.00 25.00 H new ATOM 0 HA GLN A 5 0.438 -2.330 -6.408 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -0.376 0.596 -6.121 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -1.503 -0.745 -6.173 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -0.534 -1.684 -4.106 1.00 25.00 H new ATOM 0 HG3 GLN A 5 0.680 -0.421 -4.072 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -2.854 -0.936 -4.054 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -3.216 0.444 -3.013 1.00 25.00 H new ATOM 78 N CYS A 6 0.902 -0.254 -8.869 1.00 25.00 N ATOM 79 CA CYS A 6 0.734 -0.125 -10.325 1.00 25.00 C ATOM 80 C CYS A 6 1.826 -0.882 -11.075 1.00 25.00 C ATOM 81 O CYS A 6 1.752 -1.061 -12.291 1.00 25.00 O ATOM 82 CB CYS A 6 0.784 1.343 -10.749 1.00 25.00 C ATOM 83 SG CYS A 6 -0.842 2.163 -10.827 1.00 25.00 S ATOM 0 H CYS A 6 1.570 0.397 -8.457 1.00 25.00 H new ATOM 0 HA CYS A 6 -0.239 -0.549 -10.574 1.00 25.00 H new ATOM 0 HB2 CYS A 6 1.419 1.888 -10.051 1.00 25.00 H new ATOM 0 HB3 CYS A 6 1.258 1.409 -11.729 1.00 25.00 H new ATOM 88 N CYS A 7 2.859 -1.287 -10.357 1.00 25.00 N ATOM 89 CA CYS A 7 4.006 -1.941 -10.970 1.00 25.00 C ATOM 90 C CYS A 7 3.880 -3.464 -10.989 1.00 25.00 C ATOM 91 O CYS A 7 4.095 -4.096 -12.015 1.00 25.00 O ATOM 92 CB CYS A 7 5.280 -1.554 -10.216 1.00 25.00 C ATOM 93 SG CYS A 7 6.788 -2.394 -10.808 1.00 25.00 S ATOM 0 H CYS A 7 2.929 -1.175 -9.346 1.00 25.00 H new ATOM 0 HA CYS A 7 4.049 -1.603 -12.005 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.423 -0.476 -10.297 1.00 25.00 H new ATOM 0 HB3 CYS A 7 5.145 -1.779 -9.158 1.00 25.00 H new ATOM 98 N THR A 8 3.555 -4.059 -9.847 1.00 25.00 N ATOM 99 CA THR A 8 3.537 -5.520 -9.734 1.00 25.00 C ATOM 100 C THR A 8 2.335 -6.133 -10.443 1.00 25.00 C ATOM 101 O THR A 8 2.332 -7.317 -10.772 1.00 25.00 O ATOM 102 CB THR A 8 3.565 -5.975 -8.245 1.00 25.00 C ATOM 103 OG1 THR A 8 3.924 -7.355 -8.176 1.00 25.00 O ATOM 104 CG2 THR A 8 2.218 -5.796 -7.557 1.00 25.00 C ATOM 0 H THR A 8 3.302 -3.562 -8.993 1.00 25.00 H new ATOM 0 HA THR A 8 4.440 -5.880 -10.227 1.00 25.00 H new ATOM 0 HB THR A 8 4.296 -5.349 -7.733 1.00 25.00 H new ATOM 0 HG1 THR A 8 3.943 -7.642 -7.239 1.00 25.00 H new ATOM 0 HG21 THR A 8 2.291 -6.128 -6.521 1.00 25.00 H new ATOM 0 HG22 THR A 8 1.934 -4.744 -7.582 1.00 25.00 H new ATOM 0 HG23 THR A 8 1.463 -6.388 -8.075 1.00 25.00 H new ATOM 112 N SER A 9 1.316 -5.327 -10.693 1.00 25.00 N ATOM 113 CA SER A 9 0.115 -5.807 -11.353 1.00 25.00 C ATOM 114 C SER A 9 -0.492 -4.668 -12.148 1.00 25.00 C ATOM 115 O SER A 9 0.117 -3.613 -12.270 1.00 25.00 O ATOM 116 CB SER A 9 -0.876 -6.332 -10.308 1.00 25.00 C ATOM 117 OG SER A 9 -1.169 -5.323 -9.355 1.00 25.00 O ATOM 0 H SER A 9 1.297 -4.337 -10.448 1.00 25.00 H new ATOM 0 HA SER A 9 0.358 -6.626 -12.030 1.00 25.00 H new ATOM 0 HB2 SER A 9 -1.794 -6.656 -10.798 1.00 25.00 H new ATOM 0 HB3 SER A 9 -0.458 -7.205 -9.806 1.00 25.00 H new ATOM 0 HG SER A 9 -1.804 -5.671 -8.695 1.00 25.00 H new ATOM 123 N ILE A 10 -1.622 -4.909 -12.790 1.00 25.00 N ATOM 124 CA ILE A 10 -2.234 -3.899 -13.648 1.00 25.00 C ATOM 125 C ILE A 10 -3.104 -3.014 -12.764 1.00 25.00 C ATOM 126 O ILE A 10 -3.890 -3.519 -11.973 1.00 25.00 O ATOM 127 CB ILE A 10 -3.147 -4.546 -14.748 1.00 25.00 C ATOM 128 CG1 ILE A 10 -2.375 -5.592 -15.587 1.00 25.00 C ATOM 129 CG2 ILE A 10 -3.756 -3.457 -15.668 1.00 25.00 C ATOM 130 CD1 ILE A 10 -1.278 -5.029 -16.487 1.00 25.00 C ATOM 0 H ILE A 10 -2.135 -5.789 -12.737 1.00 25.00 H new ATOM 0 HA ILE A 10 -1.446 -3.337 -14.149 1.00 25.00 H new ATOM 0 HB ILE A 10 -3.958 -5.063 -14.236 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -1.928 -6.318 -14.909 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -3.089 -6.133 -16.208 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -4.385 -3.929 -16.423 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -4.357 -2.771 -15.071 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -2.954 -2.904 -16.158 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -0.800 -5.844 -17.031 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -1.715 -4.326 -17.197 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -0.535 -4.514 -15.877 1.00 25.00 H new ATOM 142 N CYS A 11 -2.995 -1.706 -12.934 1.00 25.00 N ATOM 143 CA CYS A 11 -3.879 -0.771 -12.255 1.00 25.00 C ATOM 144 C CYS A 11 -4.662 -0.046 -13.346 1.00 25.00 C ATOM 145 O CYS A 11 -4.160 0.147 -14.455 1.00 25.00 O ATOM 146 CB CYS A 11 -3.077 0.200 -11.381 1.00 25.00 C ATOM 147 SG CYS A 11 -1.846 1.180 -12.296 1.00 25.00 S ATOM 0 H CYS A 11 -2.301 -1.266 -13.538 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.562 -1.286 -11.579 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -3.769 0.879 -10.882 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -2.568 -0.366 -10.601 1.00 25.00 H new ATOM 152 N SER A 12 -5.912 0.279 -13.062 1.00 25.00 N ATOM 153 CA SER A 12 -6.780 0.922 -14.044 1.00 25.00 C ATOM 154 C SER A 12 -6.720 2.429 -13.862 1.00 25.00 C ATOM 155 O SER A 12 -6.182 2.917 -12.869 1.00 25.00 O ATOM 156 CB SER A 12 -8.219 0.443 -13.857 1.00 25.00 C ATOM 157 OG SER A 12 -8.720 0.881 -12.609 1.00 25.00 O ATOM 0 H SER A 12 -6.353 0.109 -12.158 1.00 25.00 H new ATOM 0 HA SER A 12 -6.443 0.661 -15.047 1.00 25.00 H new ATOM 0 HB2 SER A 12 -8.845 0.825 -14.663 1.00 25.00 H new ATOM 0 HB3 SER A 12 -8.258 -0.645 -13.912 1.00 25.00 H new ATOM 0 HG SER A 12 -9.489 0.330 -12.354 1.00 25.00 H new ATOM 163 N LEU A 13 -7.318 3.166 -14.789 1.00 25.00 N ATOM 164 CA LEU A 13 -7.359 4.626 -14.701 1.00 25.00 C ATOM 165 C LEU A 13 -8.091 5.092 -13.436 1.00 25.00 C ATOM 166 O LEU A 13 -7.794 6.147 -12.893 1.00 25.00 O ATOM 167 CB LEU A 13 -8.018 5.213 -15.961 1.00 25.00 C ATOM 168 CG LEU A 13 -9.525 4.968 -16.166 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.344 6.162 -15.672 1.00 25.00 C ATOM 170 CD2 LEU A 13 -9.815 4.720 -17.642 1.00 25.00 C ATOM 0 H LEU A 13 -7.782 2.780 -15.611 1.00 25.00 H new ATOM 0 HA LEU A 13 -6.334 4.991 -14.637 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -7.852 6.290 -15.954 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.493 4.815 -16.829 1.00 25.00 H new ATOM 0 HG LEU A 13 -9.811 4.090 -15.587 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.405 5.965 -15.828 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -10.156 6.318 -14.610 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -10.056 7.055 -16.226 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -10.883 4.548 -17.779 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -9.510 5.590 -18.224 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.260 3.845 -17.980 1.00 25.00 H new ATOM 182 N TYR A 14 -9.022 4.287 -12.948 1.00 25.00 N ATOM 183 CA TYR A 14 -9.775 4.640 -11.753 1.00 25.00 C ATOM 184 C TYR A 14 -8.856 4.628 -10.540 1.00 25.00 C ATOM 185 O TYR A 14 -8.903 5.520 -9.703 1.00 25.00 O ATOM 186 CB TYR A 14 -10.923 3.648 -11.554 1.00 25.00 C ATOM 187 CG TYR A 14 -11.723 3.418 -12.817 1.00 25.00 C ATOM 188 CD1 TYR A 14 -12.532 4.437 -13.360 1.00 25.00 C ATOM 189 CD2 TYR A 14 -11.671 2.177 -13.484 1.00 25.00 C ATOM 190 CE1 TYR A 14 -13.269 4.223 -14.556 1.00 25.00 C ATOM 191 CE2 TYR A 14 -12.408 1.959 -14.681 1.00 25.00 C ATOM 192 CZ TYR A 14 -13.196 2.989 -15.206 1.00 25.00 C ATOM 193 OH TYR A 14 -13.900 2.792 -16.366 1.00 25.00 O ATOM 0 H TYR A 14 -9.274 3.388 -13.359 1.00 25.00 H new ATOM 0 HA TYR A 14 -10.188 5.642 -11.871 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -10.519 2.697 -11.206 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.586 4.018 -10.772 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.592 5.393 -12.861 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -11.063 1.381 -13.081 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.884 5.013 -14.961 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -12.360 1.003 -15.182 1.00 25.00 H new ATOM 0 HH TYR A 14 -13.742 1.882 -16.694 1.00 25.00 H new ATOM 203 N GLN A 15 -7.973 3.638 -10.482 1.00 25.00 N ATOM 204 CA GLN A 15 -7.017 3.537 -9.383 1.00 25.00 C ATOM 205 C GLN A 15 -5.993 4.652 -9.509 1.00 25.00 C ATOM 206 O GLN A 15 -5.597 5.259 -8.523 1.00 25.00 O ATOM 207 CB GLN A 15 -6.296 2.185 -9.407 1.00 25.00 C ATOM 208 CG GLN A 15 -7.224 0.975 -9.470 1.00 25.00 C ATOM 209 CD GLN A 15 -8.354 1.033 -8.462 1.00 25.00 C ATOM 210 OE1 GLN A 15 -9.502 1.175 -8.835 1.00 25.00 O ATOM 211 NE2 GLN A 15 -8.036 0.912 -7.200 1.00 25.00 N ATOM 0 H GLN A 15 -7.898 2.897 -11.179 1.00 25.00 H new ATOM 0 HA GLN A 15 -7.559 3.625 -8.441 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -5.627 2.159 -10.267 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -5.673 2.104 -8.516 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -7.644 0.900 -10.473 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -6.641 0.070 -9.300 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -7.060 0.794 -6.929 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -8.764 0.935 -6.486 1.00 25.00 H new ATOM 220 N LEU A 16 -5.589 4.923 -10.740 1.00 25.00 N ATOM 221 CA LEU A 16 -4.600 5.956 -11.036 1.00 25.00 C ATOM 222 C LEU A 16 -5.022 7.355 -10.594 1.00 25.00 C ATOM 223 O LEU A 16 -4.178 8.124 -10.177 1.00 25.00 O ATOM 224 CB LEU A 16 -4.232 5.946 -12.516 1.00 25.00 C ATOM 225 CG LEU A 16 -3.193 4.873 -12.876 1.00 25.00 C ATOM 226 CD1 LEU A 16 -3.142 4.642 -14.372 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.805 5.279 -12.387 1.00 25.00 C ATOM 0 H LEU A 16 -5.936 4.434 -11.565 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.719 5.706 -10.445 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -5.133 5.782 -13.106 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.843 6.926 -12.793 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.496 3.949 -12.383 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.398 3.878 -14.597 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.120 4.311 -14.723 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.872 5.571 -14.875 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.085 4.505 -12.652 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.515 6.220 -12.855 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -1.822 5.402 -11.304 1.00 25.00 H new ATOM 239 N GLU A 17 -6.300 7.697 -10.675 1.00 25.00 N ATOM 240 CA GLU A 17 -6.743 9.027 -10.225 1.00 25.00 C ATOM 241 C GLU A 17 -6.381 9.308 -8.757 1.00 25.00 C ATOM 242 O GLU A 17 -6.157 10.445 -8.393 1.00 25.00 O ATOM 243 CB GLU A 17 -8.255 9.202 -10.398 1.00 25.00 C ATOM 244 CG GLU A 17 -8.676 9.529 -11.820 1.00 25.00 C ATOM 245 CD GLU A 17 -10.038 10.154 -11.891 1.00 25.00 C ATOM 246 OE1 GLU A 17 -10.241 11.258 -12.340 1.00 25.00 O ATOM 247 OE2 GLU A 17 -10.978 9.405 -11.407 1.00 25.00 O ATOM 0 H GLU A 17 -7.039 7.095 -11.037 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.213 9.741 -10.856 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.756 8.287 -10.082 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.597 9.997 -9.736 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -7.946 10.206 -12.264 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -8.668 8.616 -12.416 1.00 25.00 H new ATOM 255 N ASN A 18 -6.280 8.270 -7.937 1.00 25.00 N ATOM 256 CA ASN A 18 -5.899 8.421 -6.524 1.00 25.00 C ATOM 257 C ASN A 18 -4.462 8.932 -6.365 1.00 25.00 C ATOM 258 O ASN A 18 -4.102 9.485 -5.336 1.00 25.00 O ATOM 259 CB ASN A 18 -6.053 7.099 -5.768 1.00 25.00 C ATOM 260 CG ASN A 18 -7.484 6.638 -5.702 1.00 25.00 C ATOM 261 OD1 ASN A 18 -8.276 7.149 -4.938 1.00 25.00 O ATOM 262 ND2 ASN A 18 -7.820 5.672 -6.508 1.00 25.00 N ATOM 0 H ASN A 18 -6.456 7.306 -8.221 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.575 9.163 -6.099 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -5.450 6.333 -6.255 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -5.665 7.215 -4.756 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -8.777 5.320 -6.511 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -7.126 5.267 -7.136 1.00 25.00 H new ATOM 269 N TYR A 19 -3.621 8.649 -7.351 1.00 25.00 N ATOM 270 CA TYR A 19 -2.202 9.006 -7.297 1.00 25.00 C ATOM 271 C TYR A 19 -1.988 10.507 -7.495 1.00 25.00 C ATOM 272 O TYR A 19 -0.874 10.993 -7.322 1.00 25.00 O ATOM 273 CB TYR A 19 -1.429 8.305 -8.416 1.00 25.00 C ATOM 274 CG TYR A 19 -1.218 6.822 -8.236 1.00 25.00 C ATOM 275 CD1 TYR A 19 -2.305 5.926 -8.200 1.00 25.00 C ATOM 276 CD2 TYR A 19 0.084 6.298 -8.128 1.00 25.00 C ATOM 277 CE1 TYR A 19 -2.099 4.543 -8.035 1.00 25.00 C ATOM 278 CE2 TYR A 19 0.295 4.911 -7.970 1.00 25.00 C ATOM 279 CZ TYR A 19 -0.804 4.044 -7.916 1.00 25.00 C ATOM 280 OH TYR A 19 -0.609 2.702 -7.721 1.00 25.00 O ATOM 0 H TYR A 19 -3.897 8.169 -8.207 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.847 8.699 -6.313 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.959 8.467 -9.355 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.454 8.783 -8.514 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -3.311 6.306 -8.300 1.00 25.00 H new ATOM 0 HD2 TYR A 19 0.932 6.965 -8.166 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -2.943 3.870 -8.001 1.00 25.00 H new ATOM 0 HE2 TYR A 19 1.299 4.520 -7.891 1.00 25.00 H new ATOM 0 HH TYR A 19 0.147 2.566 -7.113 1.00 25.00 H new ATOM 290 N CYS A 20 -3.019 11.220 -7.936 1.00 25.00 N ATOM 291 CA CYS A 20 -2.889 12.622 -8.283 1.00 25.00 C ATOM 292 C CYS A 20 -3.998 13.476 -7.675 1.00 25.00 C ATOM 293 O CYS A 20 -4.983 12.982 -7.142 1.00 25.00 O ATOM 294 CB CYS A 20 -2.885 12.760 -9.807 1.00 25.00 C ATOM 295 SG CYS A 20 -4.372 12.178 -10.693 1.00 25.00 S ATOM 0 H CYS A 20 -3.958 10.842 -8.061 1.00 25.00 H new ATOM 0 HA CYS A 20 -1.949 12.988 -7.869 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -2.734 13.811 -10.052 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -2.024 12.215 -10.195 1.00 25.00 H new ATOM 300 N ASN A 21 -3.811 14.797 -7.753 1.00 25.00 N ATOM 301 CA ASN A 21 -4.769 15.791 -7.263 1.00 25.00 C ATOM 302 C ASN A 21 -6.089 15.812 -8.050 1.00 25.00 C ATOM 303 O ASN A 21 -7.055 16.471 -7.740 1.00 25.00 O ATOM 304 CB ASN A 21 -4.111 17.188 -7.267 1.00 25.00 C ATOM 305 CG ASN A 21 -3.510 17.497 -8.610 1.00 25.00 C ATOM 306 OD1 ASN A 21 -2.451 17.039 -8.969 1.00 25.00 O ATOM 307 ND2 ASN A 21 -4.199 18.319 -9.390 1.00 25.00 N ATOM 308 OXT ASN A 21 -6.116 15.072 -9.105 1.00 25.00 O ATOM 0 H ASN A 21 -2.975 15.212 -8.165 1.00 25.00 H new ATOM 0 HA ASN A 21 -5.034 15.504 -6.246 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -4.854 17.945 -7.014 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -3.338 17.232 -6.500 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -3.837 18.574 -10.309 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -5.091 18.696 -9.071 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -7.612 3.905 -22.605 1.00 25.00 N ATOM 318 CA PHE B 1 -6.468 3.481 -21.750 1.00 25.00 C ATOM 319 C PHE B 1 -6.061 2.063 -22.104 1.00 25.00 C ATOM 320 O PHE B 1 -6.886 1.325 -22.609 1.00 25.00 O ATOM 321 CB PHE B 1 -6.871 3.570 -20.271 1.00 25.00 C ATOM 322 CG PHE B 1 -5.711 3.460 -19.319 1.00 25.00 C ATOM 323 CD1 PHE B 1 -4.898 4.582 -19.056 1.00 25.00 C ATOM 324 CD2 PHE B 1 -5.419 2.240 -18.680 1.00 25.00 C ATOM 325 CE1 PHE B 1 -3.795 4.485 -18.175 1.00 25.00 C ATOM 326 CE2 PHE B 1 -4.317 2.130 -17.796 1.00 25.00 C ATOM 327 CZ PHE B 1 -3.502 3.253 -17.550 1.00 25.00 C ATOM 0 H1 PHE B 1 -8.255 4.506 -22.051 1.00 25.00 H new ATOM 0 H2 PHE B 1 -7.255 4.440 -23.422 1.00 25.00 H new ATOM 0 H3 PHE B 1 -8.126 3.065 -22.939 1.00 25.00 H new ATOM 0 HA PHE B 1 -5.618 4.141 -21.924 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -7.382 4.518 -20.099 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -7.587 2.778 -20.051 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -5.120 5.526 -19.532 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -6.042 1.378 -18.866 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -3.179 5.351 -17.981 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.102 1.189 -17.312 1.00 25.00 H new ATOM 0 HZ PHE B 1 -2.655 3.172 -16.885 1.00 25.00 H new ATOM 339 N VAL B 2 -4.802 1.695 -21.887 1.00 25.00 N ATOM 340 CA VAL B 2 -4.308 0.357 -22.243 1.00 25.00 C ATOM 341 C VAL B 2 -3.682 -0.272 -21.003 1.00 25.00 C ATOM 342 O VAL B 2 -2.924 0.384 -20.295 1.00 25.00 O ATOM 343 CB VAL B 2 -3.232 0.438 -23.376 1.00 25.00 C ATOM 344 CG1 VAL B 2 -2.719 -0.962 -23.759 1.00 25.00 C ATOM 345 CG2 VAL B 2 -3.817 1.127 -24.624 1.00 25.00 C ATOM 0 H VAL B 2 -4.099 2.302 -21.466 1.00 25.00 H new ATOM 0 HA VAL B 2 -5.142 -0.244 -22.605 1.00 25.00 H new ATOM 0 HB VAL B 2 -2.396 1.024 -22.995 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -1.973 -0.873 -24.548 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -2.269 -1.436 -22.887 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -3.551 -1.570 -24.114 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -3.056 1.176 -25.403 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -4.672 0.557 -24.987 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -4.137 2.136 -24.366 1.00 25.00 H new ATOM 355 N ASN B 3 -4.005 -1.530 -20.736 1.00 25.00 N ATOM 356 CA ASN B 3 -3.434 -2.245 -19.599 1.00 25.00 C ATOM 357 C ASN B 3 -1.961 -2.520 -19.800 1.00 25.00 C ATOM 358 O ASN B 3 -1.562 -3.170 -20.756 1.00 25.00 O ATOM 359 CB ASN B 3 -4.107 -3.605 -19.366 1.00 25.00 C ATOM 360 CG ASN B 3 -4.369 -4.371 -20.657 1.00 25.00 C ATOM 361 OD1 ASN B 3 -5.118 -3.927 -21.515 1.00 25.00 O ATOM 362 ND2 ASN B 3 -3.780 -5.528 -20.782 1.00 25.00 N ATOM 0 H ASN B 3 -4.661 -2.079 -21.292 1.00 25.00 H new ATOM 0 HA ASN B 3 -3.597 -1.593 -18.741 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -3.476 -4.209 -18.714 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -5.051 -3.452 -18.843 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -3.938 -6.093 -21.616 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -3.161 -5.867 -20.046 1.00 25.00 H new ATOM 369 N GLN B 4 -1.165 -2.077 -18.845 1.00 25.00 N ATOM 370 CA GLN B 4 0.251 -2.372 -18.822 1.00 25.00 C ATOM 371 C GLN B 4 0.697 -2.144 -17.391 1.00 25.00 C ATOM 372 O GLN B 4 0.160 -1.283 -16.701 1.00 25.00 O ATOM 373 CB GLN B 4 1.017 -1.449 -19.788 1.00 25.00 C ATOM 374 CG GLN B 4 0.698 0.028 -19.612 1.00 25.00 C ATOM 375 CD GLN B 4 1.387 0.900 -20.629 1.00 25.00 C ATOM 376 OE1 GLN B 4 2.541 1.279 -20.465 1.00 25.00 O ATOM 377 NE2 GLN B 4 0.683 1.243 -21.675 1.00 25.00 N ATOM 0 H GLN B 4 -1.484 -1.503 -18.065 1.00 25.00 H new ATOM 0 HA GLN B 4 0.452 -3.394 -19.144 1.00 25.00 H new ATOM 0 HB2 GLN B 4 2.087 -1.599 -19.646 1.00 25.00 H new ATOM 0 HB3 GLN B 4 0.787 -1.741 -20.813 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -0.380 0.173 -19.686 1.00 25.00 H new ATOM 0 HG3 GLN B 4 0.994 0.342 -18.611 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -0.275 0.908 -21.777 1.00 25.00 H new ATOM 0 HE22 GLN B 4 1.091 1.846 -22.389 1.00 25.00 H new ATOM 386 N HIS B 5 1.666 -2.920 -16.943 1.00 25.00 N ATOM 387 CA HIS B 5 2.309 -2.658 -15.650 1.00 25.00 C ATOM 388 C HIS B 5 3.104 -1.357 -15.769 1.00 25.00 C ATOM 389 O HIS B 5 3.663 -1.061 -16.828 1.00 25.00 O ATOM 390 CB HIS B 5 3.248 -3.803 -15.274 1.00 25.00 C ATOM 391 CG HIS B 5 2.550 -5.115 -15.106 1.00 25.00 C ATOM 392 ND1 HIS B 5 1.434 -5.291 -14.306 1.00 25.00 N ATOM 393 CD2 HIS B 5 2.791 -6.339 -15.629 1.00 25.00 C ATOM 394 CE1 HIS B 5 1.045 -6.562 -14.391 1.00 25.00 C ATOM 395 NE2 HIS B 5 1.854 -7.203 -15.172 1.00 25.00 N ATOM 0 H HIS B 5 2.029 -3.732 -17.443 1.00 25.00 H new ATOM 0 HA HIS B 5 1.550 -2.574 -14.873 1.00 25.00 H new ATOM 0 HB2 HIS B 5 4.013 -3.903 -16.044 1.00 25.00 H new ATOM 0 HB3 HIS B 5 3.761 -3.552 -14.346 1.00 25.00 H new ATOM 0 HD2 HIS B 5 3.599 -6.587 -16.301 1.00 25.00 H new ATOM 0 HE1 HIS B 5 0.190 -6.990 -13.888 1.00 25.00 H new ATOM 0 HE2 HIS B 5 1.795 -8.194 -15.405 1.00 25.00 H new ATOM 404 N LEU B 6 3.133 -0.570 -14.704 1.00 25.00 N ATOM 405 CA LEU B 6 3.770 0.749 -14.723 1.00 25.00 C ATOM 406 C LEU B 6 4.749 0.889 -13.550 1.00 25.00 C ATOM 407 O LEU B 6 4.334 1.043 -12.411 1.00 25.00 O ATOM 408 CB LEU B 6 2.674 1.811 -14.595 1.00 25.00 C ATOM 409 CG LEU B 6 1.544 1.809 -15.639 1.00 25.00 C ATOM 410 CD1 LEU B 6 0.410 2.698 -15.160 1.00 25.00 C ATOM 411 CD2 LEU B 6 2.025 2.284 -17.003 1.00 25.00 C ATOM 0 H LEU B 6 2.720 -0.820 -13.805 1.00 25.00 H new ATOM 0 HA LEU B 6 4.324 0.874 -15.654 1.00 25.00 H new ATOM 0 HB2 LEU B 6 2.219 1.705 -13.610 1.00 25.00 H new ATOM 0 HB3 LEU B 6 3.152 2.790 -14.622 1.00 25.00 H new ATOM 0 HG LEU B 6 1.197 0.782 -15.751 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -0.391 2.697 -15.900 1.00 25.00 H new ATOM 0 HD12 LEU B 6 0.028 2.321 -14.211 1.00 25.00 H new ATOM 0 HD13 LEU B 6 0.777 3.715 -15.025 1.00 25.00 H new ATOM 0 HD21 LEU B 6 1.194 2.266 -17.708 1.00 25.00 H new ATOM 0 HD22 LEU B 6 2.409 3.301 -16.920 1.00 25.00 H new ATOM 0 HD23 LEU B 6 2.817 1.625 -17.359 1.00 25.00 H new ATOM 423 N CYS B 7 6.047 0.825 -13.832 1.00 25.00 N ATOM 424 CA CYS B 7 7.064 0.802 -12.761 1.00 25.00 C ATOM 425 C CYS B 7 8.042 1.983 -12.731 1.00 25.00 C ATOM 426 O CYS B 7 8.868 2.080 -11.828 1.00 25.00 O ATOM 427 CB CYS B 7 7.881 -0.483 -12.893 1.00 25.00 C ATOM 428 SG CYS B 7 6.873 -1.995 -12.799 1.00 25.00 S ATOM 0 H CYS B 7 6.426 0.788 -14.778 1.00 25.00 H new ATOM 0 HA CYS B 7 6.497 0.867 -11.832 1.00 25.00 H new ATOM 0 HB2 CYS B 7 8.414 -0.469 -13.844 1.00 25.00 H new ATOM 0 HB3 CYS B 7 8.634 -0.508 -12.105 1.00 25.00 H new ATOM 433 N GLY B 8 7.977 2.849 -13.731 1.00 25.00 N ATOM 434 CA GLY B 8 8.925 3.955 -13.824 1.00 25.00 C ATOM 435 C GLY B 8 8.352 5.137 -14.573 1.00 25.00 C ATOM 436 O GLY B 8 7.253 5.578 -14.270 1.00 25.00 O ATOM 0 H GLY B 8 7.288 2.811 -14.482 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.215 4.268 -12.821 1.00 25.00 H new ATOM 0 HA3 GLY B 8 9.831 3.614 -14.325 1.00 25.00 H new ATOM 440 N SER B 9 9.051 5.601 -15.600 1.00 25.00 N ATOM 441 CA SER B 9 8.583 6.714 -16.435 1.00 25.00 C ATOM 442 C SER B 9 7.219 6.419 -17.049 1.00 25.00 C ATOM 443 O SER B 9 6.412 7.314 -17.252 1.00 25.00 O ATOM 444 CB SER B 9 9.597 6.944 -17.549 1.00 25.00 C ATOM 445 OG SER B 9 10.281 5.729 -17.819 1.00 25.00 O ATOM 0 H SER B 9 9.955 5.223 -15.882 1.00 25.00 H new ATOM 0 HA SER B 9 8.484 7.601 -15.809 1.00 25.00 H new ATOM 0 HB2 SER B 9 9.093 7.298 -18.448 1.00 25.00 H new ATOM 0 HB3 SER B 9 10.307 7.717 -17.256 1.00 25.00 H new ATOM 0 HG SER B 9 10.933 5.873 -18.536 1.00 25.00 H new ATOM 451 N HIS B 10 6.939 5.144 -17.270 1.00 25.00 N ATOM 452 CA HIS B 10 5.633 4.714 -17.767 1.00 25.00 C ATOM 453 C HIS B 10 4.492 5.163 -16.859 1.00 25.00 C ATOM 454 O HIS B 10 3.423 5.502 -17.336 1.00 25.00 O ATOM 455 CB HIS B 10 5.598 3.190 -17.878 1.00 25.00 C ATOM 456 CG HIS B 10 6.056 2.674 -19.203 1.00 25.00 C ATOM 457 ND1 HIS B 10 5.193 2.111 -20.145 1.00 25.00 N ATOM 458 CD2 HIS B 10 7.285 2.606 -19.779 1.00 25.00 C ATOM 459 CE1 HIS B 10 5.894 1.743 -21.202 1.00 25.00 C ATOM 460 NE2 HIS B 10 7.154 2.035 -21.007 1.00 25.00 N ATOM 0 H HIS B 10 7.599 4.383 -17.113 1.00 25.00 H new ATOM 0 HA HIS B 10 5.494 5.177 -18.744 1.00 25.00 H new ATOM 0 HB2 HIS B 10 6.225 2.763 -17.095 1.00 25.00 H new ATOM 0 HB3 HIS B 10 4.580 2.844 -17.695 1.00 25.00 H new ATOM 0 HD1 HIS B 10 4.185 2.002 -20.035 1.00 25.00 H new ATOM 0 HD2 HIS B 10 8.209 2.947 -19.337 1.00 25.00 H new ATOM 0 HE1 HIS B 10 5.491 1.275 -22.088 1.00 25.00 H new ATOM 469 N LEU B 11 4.717 5.153 -15.553 1.00 25.00 N ATOM 470 CA LEU B 11 3.680 5.528 -14.597 1.00 25.00 C ATOM 471 C LEU B 11 3.392 7.016 -14.721 1.00 25.00 C ATOM 472 O LEU B 11 2.248 7.430 -14.720 1.00 25.00 O ATOM 473 CB LEU B 11 4.132 5.161 -13.175 1.00 25.00 C ATOM 474 CG LEU B 11 3.136 5.324 -12.012 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.779 4.715 -12.290 1.00 25.00 C ATOM 476 CD2 LEU B 11 3.726 4.643 -10.785 1.00 25.00 C ATOM 0 H LEU B 11 5.607 4.890 -15.129 1.00 25.00 H new ATOM 0 HA LEU B 11 2.760 4.983 -14.810 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.454 4.120 -13.190 1.00 25.00 H new ATOM 0 HB3 LEU B 11 5.011 5.763 -12.943 1.00 25.00 H new ATOM 0 HG LEU B 11 2.982 6.393 -11.863 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.129 4.867 -11.429 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.339 5.192 -13.166 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.891 3.647 -12.476 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.038 4.745 -9.946 1.00 25.00 H new ATOM 0 HD22 LEU B 11 3.886 3.586 -10.997 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.678 5.110 -10.532 1.00 25.00 H new ATOM 488 N VAL B 12 4.439 7.802 -14.905 1.00 25.00 N ATOM 489 CA VAL B 12 4.297 9.248 -15.090 1.00 25.00 C ATOM 490 C VAL B 12 3.527 9.536 -16.383 1.00 25.00 C ATOM 491 O VAL B 12 2.622 10.360 -16.410 1.00 25.00 O ATOM 492 CB VAL B 12 5.701 9.923 -15.144 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.585 11.433 -15.311 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.493 9.596 -13.865 1.00 25.00 C ATOM 0 H VAL B 12 5.402 7.468 -14.931 1.00 25.00 H new ATOM 0 HA VAL B 12 3.742 9.659 -14.247 1.00 25.00 H new ATOM 0 HB VAL B 12 6.231 9.527 -16.010 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.582 11.873 -15.345 1.00 25.00 H new ATOM 0 HG12 VAL B 12 5.058 11.657 -16.238 1.00 25.00 H new ATOM 0 HG13 VAL B 12 5.033 11.851 -14.469 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.473 10.072 -13.912 1.00 25.00 H new ATOM 0 HG22 VAL B 12 5.950 9.968 -12.996 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.618 8.516 -13.780 1.00 25.00 H new ATOM 504 N GLU B 13 3.861 8.815 -17.445 1.00 25.00 N ATOM 505 CA GLU B 13 3.191 8.983 -18.737 1.00 25.00 C ATOM 506 C GLU B 13 1.715 8.602 -18.640 1.00 25.00 C ATOM 507 O GLU B 13 0.868 9.180 -19.310 1.00 25.00 O ATOM 508 CB GLU B 13 3.871 8.108 -19.793 1.00 25.00 C ATOM 509 CG GLU B 13 5.273 8.575 -20.171 1.00 25.00 C ATOM 510 CD GLU B 13 5.991 7.590 -21.047 1.00 25.00 C ATOM 511 OE1 GLU B 13 6.302 6.477 -20.697 1.00 25.00 O ATOM 512 OE2 GLU B 13 6.253 8.043 -22.220 1.00 25.00 O ATOM 0 H GLU B 13 4.593 8.105 -17.442 1.00 25.00 H new ATOM 0 HA GLU B 13 3.264 10.032 -19.023 1.00 25.00 H new ATOM 0 HB2 GLU B 13 3.927 7.085 -19.422 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.251 8.089 -20.689 1.00 25.00 H new ATOM 0 HG2 GLU B 13 5.207 9.533 -20.686 1.00 25.00 H new ATOM 0 HG3 GLU B 13 5.854 8.740 -19.264 1.00 25.00 H new ATOM 520 N ALA B 14 1.407 7.634 -17.793 1.00 25.00 N ATOM 521 CA ALA B 14 0.029 7.209 -17.604 1.00 25.00 C ATOM 522 C ALA B 14 -0.738 8.270 -16.815 1.00 25.00 C ATOM 523 O ALA B 14 -1.884 8.570 -17.120 1.00 25.00 O ATOM 524 CB ALA B 14 -0.004 5.878 -16.876 1.00 25.00 C ATOM 0 H ALA B 14 2.089 7.129 -17.227 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.447 7.086 -18.577 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.039 5.565 -16.737 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.526 5.129 -17.464 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.477 5.983 -15.903 1.00 25.00 H new ATOM 530 N LEU B 15 -0.092 8.839 -15.810 1.00 25.00 N ATOM 531 CA LEU B 15 -0.719 9.857 -14.967 1.00 25.00 C ATOM 532 C LEU B 15 -1.058 11.107 -15.767 1.00 25.00 C ATOM 533 O LEU B 15 -2.105 11.710 -15.542 1.00 25.00 O ATOM 534 CB LEU B 15 0.207 10.220 -13.805 1.00 25.00 C ATOM 535 CG LEU B 15 0.305 9.154 -12.708 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.520 9.394 -11.805 1.00 25.00 C ATOM 537 CD2 LEU B 15 -0.949 9.155 -11.870 1.00 25.00 C ATOM 0 H LEU B 15 0.870 8.616 -15.554 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.648 9.442 -14.575 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.205 10.409 -14.199 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.141 11.151 -13.358 1.00 25.00 H new ATOM 0 HG LEU B 15 0.422 8.186 -13.195 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.561 8.621 -11.037 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.430 9.360 -12.403 1.00 25.00 H new ATOM 0 HD13 LEU B 15 1.434 10.372 -11.331 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -0.869 8.394 -11.094 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.076 10.133 -11.407 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -1.810 8.938 -12.503 1.00 25.00 H new ATOM 549 N TYR B 16 -0.222 11.439 -16.745 1.00 25.00 N ATOM 550 CA TYR B 16 -0.502 12.559 -17.651 1.00 25.00 C ATOM 551 C TYR B 16 -1.865 12.371 -18.304 1.00 25.00 C ATOM 552 O TYR B 16 -2.649 13.301 -18.403 1.00 25.00 O ATOM 553 CB TYR B 16 0.542 12.627 -18.773 1.00 25.00 C ATOM 554 CG TYR B 16 1.675 13.593 -18.530 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.482 14.982 -18.689 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.956 13.131 -18.169 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.550 15.895 -18.480 1.00 25.00 C ATOM 558 CE2 TYR B 16 4.029 14.043 -17.962 1.00 25.00 C ATOM 559 CZ TYR B 16 3.811 15.416 -18.114 1.00 25.00 C ATOM 560 OH TYR B 16 4.836 16.303 -17.905 1.00 25.00 O ATOM 0 H TYR B 16 0.654 10.953 -16.934 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.476 13.475 -17.061 1.00 25.00 H new ATOM 0 HB2 TYR B 16 0.959 11.631 -18.922 1.00 25.00 H new ATOM 0 HB3 TYR B 16 0.040 12.904 -19.700 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.509 15.356 -18.973 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.126 12.071 -18.048 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.388 16.956 -18.603 1.00 25.00 H new ATOM 0 HE2 TYR B 16 5.007 13.676 -17.689 1.00 25.00 H new ATOM 0 HH TYR B 16 5.647 15.813 -17.656 1.00 25.00 H new ATOM 570 N LEU B 17 -2.137 11.161 -18.771 1.00 25.00 N ATOM 571 CA LEU B 17 -3.400 10.872 -19.440 1.00 25.00 C ATOM 572 C LEU B 17 -4.593 10.833 -18.495 1.00 25.00 C ATOM 573 O LEU B 17 -5.673 11.303 -18.829 1.00 25.00 O ATOM 574 CB LEU B 17 -3.327 9.517 -20.142 1.00 25.00 C ATOM 575 CG LEU B 17 -2.275 9.354 -21.250 1.00 25.00 C ATOM 576 CD1 LEU B 17 -2.216 7.884 -21.672 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.591 10.232 -22.462 1.00 25.00 C ATOM 0 H LEU B 17 -1.503 10.365 -18.700 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.549 11.687 -20.148 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.141 8.755 -19.385 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.306 9.307 -20.573 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.309 9.672 -20.857 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.471 7.761 -22.458 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.943 7.270 -20.814 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -3.192 7.573 -22.045 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.825 10.089 -23.224 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.564 9.955 -22.869 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.610 11.279 -22.158 1.00 25.00 H new ATOM 589 N VAL B 18 -4.418 10.191 -17.350 1.00 25.00 N ATOM 590 CA VAL B 18 -5.536 9.945 -16.437 1.00 25.00 C ATOM 591 C VAL B 18 -5.957 11.204 -15.705 1.00 25.00 C ATOM 592 O VAL B 18 -7.146 11.503 -15.593 1.00 25.00 O ATOM 593 CB VAL B 18 -5.168 8.849 -15.405 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.278 8.666 -14.379 1.00 25.00 C ATOM 595 CG2 VAL B 18 -4.916 7.531 -16.125 1.00 25.00 C ATOM 0 H VAL B 18 -3.520 9.831 -17.028 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.375 9.607 -17.046 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.265 9.163 -14.881 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -5.992 7.891 -13.668 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.441 9.604 -13.848 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.197 8.372 -14.886 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.657 6.762 -15.397 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.816 7.233 -16.664 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -4.094 7.653 -16.831 1.00 25.00 H new ATOM 605 N CYS B 19 -4.990 11.959 -15.213 1.00 25.00 N ATOM 606 CA CYS B 19 -5.317 13.188 -14.507 1.00 25.00 C ATOM 607 C CYS B 19 -5.533 14.308 -15.532 1.00 25.00 C ATOM 608 O CYS B 19 -6.221 15.298 -15.258 1.00 25.00 O ATOM 609 CB CYS B 19 -4.241 13.540 -13.476 1.00 25.00 C ATOM 610 SG CYS B 19 -4.942 13.787 -11.803 1.00 25.00 S ATOM 0 H CYS B 19 -3.994 11.751 -15.286 1.00 25.00 H new ATOM 0 HA CYS B 19 -6.240 13.053 -13.943 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.498 12.744 -13.443 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -3.723 14.447 -13.789 1.00 25.00 H new ATOM 615 N GLY B 20 -5.034 14.110 -16.743 1.00 25.00 N ATOM 616 CA GLY B 20 -5.297 15.053 -17.814 1.00 25.00 C ATOM 617 C GLY B 20 -4.815 16.461 -17.525 1.00 25.00 C ATOM 618 O GLY B 20 -3.785 16.688 -16.892 1.00 25.00 O ATOM 0 H GLY B 20 -4.452 13.314 -17.005 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -4.818 14.695 -18.725 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -6.370 15.079 -18.007 1.00 25.00 H new ATOM 622 N GLU B 21 -5.596 17.425 -17.993 1.00 25.00 N ATOM 623 CA GLU B 21 -5.255 18.842 -17.868 1.00 25.00 C ATOM 624 C GLU B 21 -5.279 19.384 -16.435 1.00 25.00 C ATOM 625 O GLU B 21 -4.821 20.495 -16.203 1.00 25.00 O ATOM 626 CB GLU B 21 -6.219 19.674 -18.722 1.00 25.00 C ATOM 627 CG GLU B 21 -6.119 19.386 -20.223 1.00 25.00 C ATOM 628 CD GLU B 21 -7.039 20.250 -21.036 1.00 25.00 C ATOM 629 OE1 GLU B 21 -7.859 20.982 -20.568 1.00 25.00 O ATOM 630 OE2 GLU B 21 -6.875 20.124 -22.305 1.00 25.00 O ATOM 0 H GLU B 21 -6.481 17.251 -18.469 1.00 25.00 H new ATOM 0 HA GLU B 21 -4.224 18.927 -18.212 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -7.240 19.483 -18.392 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -6.021 20.732 -18.550 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -5.092 19.544 -20.552 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -6.355 18.338 -20.405 1.00 25.00 H new ATOM 638 N ARG B 22 -5.791 18.624 -15.468 1.00 25.00 N ATOM 639 CA ARG B 22 -5.833 19.113 -14.086 1.00 25.00 C ATOM 640 C ARG B 22 -4.449 19.027 -13.426 1.00 25.00 C ATOM 641 O ARG B 22 -4.239 19.537 -12.324 1.00 25.00 O ATOM 642 CB ARG B 22 -6.909 18.373 -13.277 1.00 25.00 C ATOM 643 CG ARG B 22 -6.418 17.211 -12.435 1.00 25.00 C ATOM 644 CD ARG B 22 -7.581 16.359 -11.992 1.00 25.00 C ATOM 645 NE ARG B 22 -7.948 15.411 -13.048 1.00 25.00 N ATOM 646 CZ ARG B 22 -8.758 14.368 -12.905 1.00 25.00 C ATOM 647 NH1 ARG B 22 -9.363 14.096 -11.777 1.00 25.00 N ATOM 648 NH2 ARG B 22 -8.958 13.570 -13.914 1.00 25.00 N ATOM 0 H ARG B 22 -6.175 17.689 -15.607 1.00 25.00 H new ATOM 0 HA ARG B 22 -6.111 20.167 -14.103 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -7.401 19.091 -12.621 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -7.666 18.002 -13.968 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -5.715 16.608 -13.009 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -5.880 17.586 -11.564 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -7.319 15.818 -11.083 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -8.434 16.993 -11.750 1.00 25.00 H new ATOM 0 HE ARG B 22 -7.547 15.566 -13.973 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -9.220 14.696 -10.964 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -9.977 13.284 -11.710 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -8.494 13.748 -14.805 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -9.578 12.767 -13.814 1.00 25.00 H new ATOM 662 N GLY B 23 -3.514 18.390 -14.118 1.00 25.00 N ATOM 663 CA GLY B 23 -2.165 18.234 -13.601 1.00 25.00 C ATOM 664 C GLY B 23 -2.103 17.070 -12.638 1.00 25.00 C ATOM 665 O GLY B 23 -3.127 16.494 -12.288 1.00 25.00 O ATOM 0 H GLY B 23 -3.666 17.974 -15.037 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -1.469 18.071 -14.424 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -1.853 19.149 -13.097 1.00 25.00 H new ATOM 669 N PHE B 24 -0.898 16.696 -12.238 1.00 25.00 N ATOM 670 CA PHE B 24 -0.700 15.561 -11.352 1.00 25.00 C ATOM 671 C PHE B 24 0.647 15.710 -10.674 1.00 25.00 C ATOM 672 O PHE B 24 1.451 16.550 -11.070 1.00 25.00 O ATOM 673 CB PHE B 24 -0.744 14.248 -12.141 1.00 25.00 C ATOM 674 CG PHE B 24 0.433 14.035 -13.027 1.00 25.00 C ATOM 675 CD1 PHE B 24 0.514 14.672 -14.273 1.00 25.00 C ATOM 676 CD2 PHE B 24 1.471 13.183 -12.620 1.00 25.00 C ATOM 677 CE1 PHE B 24 1.625 14.474 -15.103 1.00 25.00 C ATOM 678 CE2 PHE B 24 2.579 12.959 -13.443 1.00 25.00 C ATOM 679 CZ PHE B 24 2.664 13.609 -14.693 1.00 25.00 C ATOM 0 H PHE B 24 -0.037 17.166 -12.516 1.00 25.00 H new ATOM 0 HA PHE B 24 -1.496 15.536 -10.608 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.813 13.417 -11.440 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.650 14.230 -12.747 1.00 25.00 H new ATOM 0 HD1 PHE B 24 -0.287 15.321 -14.596 1.00 25.00 H new ATOM 0 HD2 PHE B 24 1.413 12.694 -11.659 1.00 25.00 H new ATOM 0 HE1 PHE B 24 1.687 14.982 -16.054 1.00 25.00 H new ATOM 0 HE2 PHE B 24 3.366 12.292 -13.124 1.00 25.00 H new ATOM 0 HZ PHE B 24 3.519 13.446 -15.333 1.00 25.00 H new ATOM 689 N PHE B 25 0.910 14.853 -9.701 1.00 25.00 N ATOM 690 CA PHE B 25 2.201 14.798 -9.038 1.00 25.00 C ATOM 691 C PHE B 25 2.571 13.324 -8.990 1.00 25.00 C ATOM 692 O PHE B 25 1.724 12.467 -9.232 1.00 25.00 O ATOM 693 CB PHE B 25 2.125 15.402 -7.630 1.00 25.00 C ATOM 694 CG PHE B 25 1.114 14.732 -6.731 1.00 25.00 C ATOM 695 CD1 PHE B 25 1.459 13.573 -6.005 1.00 25.00 C ATOM 696 CD2 PHE B 25 -0.182 15.265 -6.587 1.00 25.00 C ATOM 697 CE1 PHE B 25 0.519 12.947 -5.152 1.00 25.00 C ATOM 698 CE2 PHE B 25 -1.127 14.649 -5.726 1.00 25.00 C ATOM 699 CZ PHE B 25 -0.774 13.486 -5.014 1.00 25.00 C ATOM 0 H PHE B 25 0.233 14.176 -9.349 1.00 25.00 H new ATOM 0 HA PHE B 25 2.953 15.380 -9.571 1.00 25.00 H new ATOM 0 HB2 PHE B 25 3.109 15.339 -7.165 1.00 25.00 H new ATOM 0 HB3 PHE B 25 1.878 16.461 -7.712 1.00 25.00 H new ATOM 0 HD1 PHE B 25 2.452 13.159 -6.101 1.00 25.00 H new ATOM 0 HD2 PHE B 25 -0.459 16.152 -7.138 1.00 25.00 H new ATOM 0 HE1 PHE B 25 0.794 12.056 -4.607 1.00 25.00 H new ATOM 0 HE2 PHE B 25 -2.115 15.071 -5.617 1.00 25.00 H new ATOM 0 HZ PHE B 25 -1.493 13.009 -4.364 1.00 25.00 H new ATOM 709 N TYR B 26 3.823 13.026 -8.693 1.00 25.00 N ATOM 710 CA TYR B 26 4.278 11.646 -8.613 1.00 25.00 C ATOM 711 C TYR B 26 5.335 11.530 -7.527 1.00 25.00 C ATOM 712 O TYR B 26 6.203 12.388 -7.410 1.00 25.00 O ATOM 713 CB TYR B 26 4.861 11.206 -9.960 1.00 25.00 C ATOM 714 CG TYR B 26 5.521 9.847 -9.898 1.00 25.00 C ATOM 715 CD1 TYR B 26 4.781 8.702 -9.541 1.00 25.00 C ATOM 716 CD2 TYR B 26 6.896 9.699 -10.174 1.00 25.00 C ATOM 717 CE1 TYR B 26 5.406 7.436 -9.451 1.00 25.00 C ATOM 718 CE2 TYR B 26 7.519 8.426 -10.105 1.00 25.00 C ATOM 719 CZ TYR B 26 6.766 7.307 -9.740 1.00 25.00 C ATOM 720 OH TYR B 26 7.371 6.077 -9.667 1.00 25.00 O ATOM 0 H TYR B 26 4.545 13.721 -8.503 1.00 25.00 H new ATOM 0 HA TYR B 26 3.434 11.000 -8.370 1.00 25.00 H new ATOM 0 HB2 TYR B 26 4.066 11.185 -10.705 1.00 25.00 H new ATOM 0 HB3 TYR B 26 5.591 11.944 -10.293 1.00 25.00 H new ATOM 0 HD1 TYR B 26 3.725 8.792 -9.334 1.00 25.00 H new ATOM 0 HD2 TYR B 26 7.482 10.566 -10.441 1.00 25.00 H new ATOM 0 HE1 TYR B 26 4.831 6.570 -9.159 1.00 25.00 H new ATOM 0 HE2 TYR B 26 8.569 8.323 -10.333 1.00 25.00 H new ATOM 0 HH TYR B 26 8.319 6.164 -9.900 1.00 25.00 H new ATOM 730 N THR B 27 5.261 10.465 -6.746 1.00 25.00 N ATOM 731 CA THR B 27 6.234 10.203 -5.686 1.00 25.00 C ATOM 732 C THR B 27 7.146 9.052 -6.154 1.00 25.00 C ATOM 733 O THR B 27 6.688 7.929 -6.389 1.00 25.00 O ATOM 734 CB THR B 27 5.547 9.842 -4.352 1.00 25.00 C ATOM 735 OG1 THR B 27 6.399 8.998 -3.572 1.00 25.00 O ATOM 736 CG2 THR B 27 4.252 9.124 -4.596 1.00 25.00 C ATOM 0 H THR B 27 4.530 9.758 -6.824 1.00 25.00 H new ATOM 0 HA THR B 27 6.818 11.105 -5.501 1.00 25.00 H new ATOM 0 HB THR B 27 5.349 10.770 -3.816 1.00 25.00 H new ATOM 0 HG1 THR B 27 5.955 8.776 -2.727 1.00 25.00 H new ATOM 0 HG21 THR B 27 3.786 8.880 -3.641 1.00 25.00 H new ATOM 0 HG22 THR B 27 3.584 9.764 -5.173 1.00 25.00 H new ATOM 0 HG23 THR B 27 4.444 8.206 -5.151 1.00 25.00 H new ATOM 744 N PRO B 28 8.435 9.339 -6.381 1.00 25.00 N ATOM 745 CA PRO B 28 9.356 8.329 -6.900 1.00 25.00 C ATOM 746 C PRO B 28 9.918 7.422 -5.808 1.00 25.00 C ATOM 747 O PRO B 28 9.922 7.766 -4.629 1.00 25.00 O ATOM 748 CB PRO B 28 10.451 9.179 -7.548 1.00 25.00 C ATOM 749 CG PRO B 28 10.501 10.414 -6.719 1.00 25.00 C ATOM 750 CD PRO B 28 9.095 10.642 -6.202 1.00 25.00 C ATOM 0 HA PRO B 28 8.873 7.635 -7.588 1.00 25.00 H new ATOM 0 HB2 PRO B 28 11.410 8.660 -7.546 1.00 25.00 H new ATOM 0 HB3 PRO B 28 10.214 9.407 -8.587 1.00 25.00 H new ATOM 0 HG2 PRO B 28 11.204 10.299 -5.894 1.00 25.00 H new ATOM 0 HG3 PRO B 28 10.840 11.265 -7.310 1.00 25.00 H new ATOM 0 HD2 PRO B 28 9.099 10.947 -5.156 1.00 25.00 H new ATOM 0 HD3 PRO B 28 8.586 11.427 -6.761 1.00 25.00 H new ATOM 758 N LYS B 29 10.415 6.259 -6.210 1.00 25.00 N ATOM 759 CA LYS B 29 11.025 5.325 -5.262 1.00 25.00 C ATOM 760 C LYS B 29 12.474 5.728 -5.063 1.00 25.00 C ATOM 761 O LYS B 29 13.342 5.312 -5.816 1.00 25.00 O ATOM 762 CB LYS B 29 10.983 3.889 -5.793 1.00 25.00 C ATOM 763 CG LYS B 29 9.583 3.331 -6.019 1.00 25.00 C ATOM 764 CD LYS B 29 9.596 1.807 -6.285 1.00 25.00 C ATOM 765 CE LYS B 29 10.289 1.415 -7.611 1.00 25.00 C ATOM 766 NZ LYS B 29 11.787 1.204 -7.473 1.00 25.00 N ATOM 0 H LYS B 29 10.410 5.938 -7.178 1.00 25.00 H new ATOM 0 HA LYS B 29 10.470 5.362 -4.325 1.00 25.00 H new ATOM 0 HB2 LYS B 29 11.531 3.849 -6.734 1.00 25.00 H new ATOM 0 HB3 LYS B 29 11.508 3.241 -5.091 1.00 25.00 H new ATOM 0 HG2 LYS B 29 8.965 3.540 -5.146 1.00 25.00 H new ATOM 0 HG3 LYS B 29 9.123 3.842 -6.865 1.00 25.00 H new ATOM 0 HD2 LYS B 29 10.102 1.307 -5.459 1.00 25.00 H new ATOM 0 HD3 LYS B 29 8.570 1.440 -6.299 1.00 25.00 H new ATOM 0 HE2 LYS B 29 9.835 0.500 -7.992 1.00 25.00 H new ATOM 0 HE3 LYS B 29 10.107 2.194 -8.351 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 12.282 1.732 -8.220 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 12.101 1.544 -6.542 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 12.005 0.191 -7.563 1.00 25.00 H new ATOM 780 N THR B 30 12.730 6.568 -4.069 1.00 25.00 N ATOM 781 CA THR B 30 14.093 7.031 -3.791 1.00 25.00 C ATOM 782 C THR B 30 14.885 5.998 -2.993 1.00 25.00 C ATOM 783 O THR B 30 15.844 5.414 -3.436 1.00 25.00 O ATOM 784 CB THR B 30 14.082 8.390 -3.070 1.00 25.00 C ATOM 785 OG1 THR B 30 13.254 8.263 -1.914 1.00 25.00 O ATOM 786 CG2 THR B 30 13.464 9.484 -3.954 1.00 25.00 C ATOM 787 OXT THR B 30 14.396 5.747 -1.809 1.00 25.00 O ATOM 0 H THR B 30 12.019 6.944 -3.442 1.00 25.00 H new ATOM 0 HA THR B 30 14.593 7.161 -4.751 1.00 25.00 H new ATOM 0 HB THR B 30 15.108 8.664 -2.823 1.00 25.00 H new ATOM 0 HG1 THR B 30 13.367 7.370 -1.527 1.00 25.00 H new ATOM 0 HG21 THR B 30 13.470 10.432 -3.417 1.00 25.00 H new ATOM 0 HG22 THR B 30 14.045 9.582 -4.871 1.00 25.00 H new ATOM 0 HG23 THR B 30 12.437 9.214 -4.202 1.00 25.00 H new TER 796 THR B 30