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 9 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Set 2.1: A 1 GLY N :NH3+ -145:sc= 0.709 (180deg=-0.023) USER MOD Set 2.2: A 5 GLN : amide:sc= -0.0525 X(o=0.66,f=0.96) 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 -170:sc= -0.298 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0588 X(o=-0.059,f=-0.061) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot -148:sc= 1.24 USER MOD Single : A 21 ASN : amide:sc=-0.00145 X(o=-0.0015,f=-0.23) USER MOD Single : B 1 PHE N :NH3+ -111:sc= 0.116 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.14) USER MOD Single : B 4 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.15) USER MOD Single : B 5 HIS : no HE2:sc= -2.55 X(o=-2.6,f=-2.1!) 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 51:sc= 0.0691 USER MOD Single : B 29 LYS NZ :NH3+ -140:sc= 0.996 (180deg=-0.0305) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0518 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.688 -1.248 -1.389 1.00 25.00 N ATOM 2 CA GLY A 1 3.923 0.228 -1.566 1.00 25.00 C ATOM 3 C GLY A 1 3.095 0.786 -2.696 1.00 25.00 C ATOM 4 O GLY A 1 2.707 0.032 -3.555 1.00 25.00 O ATOM 0 H1 GLY A 1 3.739 -1.489 -0.379 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.748 -1.496 -1.757 1.00 25.00 H new ATOM 0 H3 GLY A 1 4.415 -1.780 -1.909 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.678 0.750 -0.641 1.00 25.00 H new ATOM 0 HA3 GLY A 1 4.980 0.408 -1.764 1.00 25.00 H new ATOM 10 N ILE A 2 2.787 2.076 -2.711 1.00 25.00 N ATOM 11 CA ILE A 2 1.830 2.602 -3.699 1.00 25.00 C ATOM 12 C ILE A 2 2.246 2.388 -5.176 1.00 25.00 C ATOM 13 O ILE A 2 1.440 1.951 -5.989 1.00 25.00 O ATOM 14 CB ILE A 2 1.473 4.099 -3.385 1.00 25.00 C ATOM 15 CG1 ILE A 2 0.201 4.496 -4.147 1.00 25.00 C ATOM 16 CG2 ILE A 2 2.661 5.060 -3.693 1.00 25.00 C ATOM 17 CD1 ILE A 2 -0.418 5.836 -3.721 1.00 25.00 C ATOM 0 H ILE A 2 3.171 2.771 -2.070 1.00 25.00 H new ATOM 0 HA ILE A 2 0.926 2.003 -3.591 1.00 25.00 H new ATOM 0 HB ILE A 2 1.281 4.192 -2.316 1.00 25.00 H new ATOM 0 HG12 ILE A 2 0.432 4.541 -5.211 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -0.543 3.711 -4.016 1.00 25.00 H new ATOM 0 HG21 ILE A 2 2.370 6.084 -3.461 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.522 4.781 -3.085 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.924 4.987 -4.748 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -1.311 6.030 -4.315 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -0.687 5.793 -2.665 1.00 25.00 H new ATOM 0 HD13 ILE A 2 0.304 6.637 -3.880 1.00 25.00 H new ATOM 29 N VAL A 3 3.513 2.603 -5.512 1.00 25.00 N ATOM 30 CA VAL A 3 3.990 2.367 -6.885 1.00 25.00 C ATOM 31 C VAL A 3 4.018 0.863 -7.195 1.00 25.00 C ATOM 32 O VAL A 3 3.809 0.432 -8.324 1.00 25.00 O ATOM 33 CB VAL A 3 5.413 3.008 -7.101 1.00 25.00 C ATOM 34 CG1 VAL A 3 6.441 2.485 -6.067 1.00 25.00 C ATOM 35 CG2 VAL A 3 5.925 2.754 -8.530 1.00 25.00 C ATOM 0 H VAL A 3 4.228 2.937 -4.866 1.00 25.00 H new ATOM 0 HA VAL A 3 3.295 2.846 -7.575 1.00 25.00 H new ATOM 0 HB VAL A 3 5.303 4.083 -6.955 1.00 25.00 H new ATOM 0 HG11 VAL A 3 7.410 2.951 -6.249 1.00 25.00 H new ATOM 0 HG12 VAL A 3 6.103 2.733 -5.061 1.00 25.00 H new ATOM 0 HG13 VAL A 3 6.535 1.403 -6.162 1.00 25.00 H new ATOM 0 HG21 VAL A 3 6.909 3.208 -8.650 1.00 25.00 H new ATOM 0 HG22 VAL A 3 5.997 1.681 -8.705 1.00 25.00 H new ATOM 0 HG23 VAL A 3 5.233 3.194 -9.248 1.00 25.00 H new ATOM 45 N GLU A 4 4.245 0.067 -6.164 1.00 25.00 N ATOM 46 CA GLU A 4 4.366 -1.377 -6.305 1.00 25.00 C ATOM 47 C GLU A 4 3.047 -1.965 -6.763 1.00 25.00 C ATOM 48 O GLU A 4 3.037 -2.919 -7.519 1.00 25.00 O ATOM 49 CB GLU A 4 4.774 -1.990 -4.964 1.00 25.00 C ATOM 50 CG GLU A 4 5.140 -3.467 -4.988 1.00 25.00 C ATOM 51 CD GLU A 4 5.452 -3.983 -3.614 1.00 25.00 C ATOM 52 OE1 GLU A 4 5.407 -3.285 -2.622 1.00 25.00 O ATOM 53 OE2 GLU A 4 5.761 -5.238 -3.583 1.00 25.00 O ATOM 0 H GLU A 4 4.351 0.401 -5.206 1.00 25.00 H new ATOM 0 HA GLU A 4 5.129 -1.602 -7.050 1.00 25.00 H new ATOM 0 HB2 GLU A 4 5.626 -1.431 -4.576 1.00 25.00 H new ATOM 0 HB3 GLU A 4 3.954 -1.851 -4.259 1.00 25.00 H new ATOM 0 HG2 GLU A 4 4.316 -4.039 -5.413 1.00 25.00 H new ATOM 0 HG3 GLU A 4 6.002 -3.618 -5.638 1.00 25.00 H new ATOM 61 N GLN A 5 1.939 -1.377 -6.334 1.00 25.00 N ATOM 62 CA GLN A 5 0.628 -1.887 -6.723 1.00 25.00 C ATOM 63 C GLN A 5 0.466 -1.858 -8.242 1.00 25.00 C ATOM 64 O GLN A 5 -0.035 -2.808 -8.820 1.00 25.00 O ATOM 65 CB GLN A 5 -0.502 -1.077 -6.069 1.00 25.00 C ATOM 66 CG GLN A 5 -0.390 -0.930 -4.544 1.00 25.00 C ATOM 67 CD GLN A 5 -0.057 -2.230 -3.827 1.00 25.00 C ATOM 68 OE1 GLN A 5 1.011 -2.365 -3.234 1.00 25.00 O ATOM 69 NE2 GLN A 5 -0.960 -3.175 -3.865 1.00 25.00 N ATOM 0 H GLN A 5 1.918 -0.559 -5.726 1.00 25.00 H new ATOM 0 HA GLN A 5 0.563 -2.918 -6.375 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -0.522 -0.083 -6.515 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -1.454 -1.552 -6.305 1.00 25.00 H new ATOM 0 HG2 GLN A 5 0.378 -0.192 -4.315 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -1.331 -0.542 -4.155 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -1.835 -3.025 -4.368 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -0.790 -4.062 -3.392 1.00 25.00 H new ATOM 78 N CYS A 6 0.935 -0.788 -8.879 1.00 25.00 N ATOM 79 CA CYS A 6 0.845 -0.656 -10.343 1.00 25.00 C ATOM 80 C CYS A 6 1.903 -1.487 -11.068 1.00 25.00 C ATOM 81 O CYS A 6 1.768 -1.796 -12.259 1.00 25.00 O ATOM 82 CB CYS A 6 1.033 0.804 -10.759 1.00 25.00 C ATOM 83 SG CYS A 6 -0.386 1.879 -10.385 1.00 25.00 S ATOM 0 H CYS A 6 1.381 0.002 -8.412 1.00 25.00 H new ATOM 0 HA CYS A 6 -0.144 -1.018 -10.623 1.00 25.00 H new ATOM 0 HB2 CYS A 6 1.916 1.201 -10.259 1.00 25.00 H new ATOM 0 HB3 CYS A 6 1.230 0.842 -11.830 1.00 25.00 H new ATOM 88 N CYS A 7 2.977 -1.813 -10.369 1.00 25.00 N ATOM 89 CA CYS A 7 4.054 -2.578 -10.975 1.00 25.00 C ATOM 90 C CYS A 7 3.809 -4.088 -10.877 1.00 25.00 C ATOM 91 O CYS A 7 4.196 -4.826 -11.770 1.00 25.00 O ATOM 92 CB CYS A 7 5.396 -2.210 -10.343 1.00 25.00 C ATOM 93 SG CYS A 7 5.975 -0.563 -10.881 1.00 25.00 S ATOM 0 H CYS A 7 3.126 -1.563 -9.391 1.00 25.00 H new ATOM 0 HA CYS A 7 4.081 -2.320 -12.034 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.302 -2.225 -9.257 1.00 25.00 H new ATOM 0 HB3 CYS A 7 6.140 -2.961 -10.609 1.00 25.00 H new ATOM 98 N THR A 8 3.162 -4.545 -9.809 1.00 25.00 N ATOM 99 CA THR A 8 2.906 -5.980 -9.627 1.00 25.00 C ATOM 100 C THR A 8 1.593 -6.431 -10.283 1.00 25.00 C ATOM 101 O THR A 8 1.536 -7.503 -10.875 1.00 25.00 O ATOM 102 CB THR A 8 2.962 -6.390 -8.118 1.00 25.00 C ATOM 103 OG1 THR A 8 3.125 -7.805 -8.013 1.00 25.00 O ATOM 104 CG2 THR A 8 1.711 -5.998 -7.345 1.00 25.00 C ATOM 0 H THR A 8 2.806 -3.952 -9.059 1.00 25.00 H new ATOM 0 HA THR A 8 3.710 -6.505 -10.142 1.00 25.00 H new ATOM 0 HB THR A 8 3.806 -5.855 -7.683 1.00 25.00 H new ATOM 0 HG1 THR A 8 3.162 -8.061 -7.068 1.00 25.00 H new ATOM 0 HG21 THR A 8 1.813 -6.310 -6.306 1.00 25.00 H new ATOM 0 HG22 THR A 8 1.581 -4.917 -7.388 1.00 25.00 H new ATOM 0 HG23 THR A 8 0.842 -6.486 -7.787 1.00 25.00 H new ATOM 112 N SER A 9 0.568 -5.585 -10.259 1.00 25.00 N ATOM 113 CA SER A 9 -0.709 -5.893 -10.910 1.00 25.00 C ATOM 114 C SER A 9 -1.146 -4.646 -11.654 1.00 25.00 C ATOM 115 O SER A 9 -0.540 -3.596 -11.497 1.00 25.00 O ATOM 116 CB SER A 9 -1.756 -6.291 -9.866 1.00 25.00 C ATOM 117 OG SER A 9 -1.303 -7.403 -9.114 1.00 25.00 O ATOM 0 H SER A 9 0.593 -4.677 -9.795 1.00 25.00 H new ATOM 0 HA SER A 9 -0.600 -6.731 -11.599 1.00 25.00 H new ATOM 0 HB2 SER A 9 -1.954 -5.450 -9.201 1.00 25.00 H new ATOM 0 HB3 SER A 9 -2.697 -6.536 -10.359 1.00 25.00 H new ATOM 0 HG SER A 9 -1.981 -7.646 -8.449 1.00 25.00 H new ATOM 123 N ILE A 10 -2.127 -4.760 -12.527 1.00 25.00 N ATOM 124 CA ILE A 10 -2.523 -3.607 -13.325 1.00 25.00 C ATOM 125 C ILE A 10 -3.448 -2.713 -12.506 1.00 25.00 C ATOM 126 O ILE A 10 -4.542 -3.121 -12.129 1.00 25.00 O ATOM 127 CB ILE A 10 -3.265 -4.008 -14.629 1.00 25.00 C ATOM 128 CG1 ILE A 10 -2.484 -5.086 -15.419 1.00 25.00 C ATOM 129 CG2 ILE A 10 -3.508 -2.746 -15.488 1.00 25.00 C ATOM 130 CD1 ILE A 10 -1.164 -4.628 -16.028 1.00 25.00 C ATOM 0 H ILE A 10 -2.656 -5.614 -12.703 1.00 25.00 H new ATOM 0 HA ILE A 10 -1.607 -3.085 -13.601 1.00 25.00 H new ATOM 0 HB ILE A 10 -4.226 -4.449 -14.365 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -2.285 -5.926 -14.753 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -3.123 -5.459 -16.219 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -4.029 -3.024 -16.404 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -4.115 -2.035 -14.927 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -2.552 -2.287 -15.739 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -0.700 -5.460 -16.558 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -1.349 -3.811 -16.725 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -0.498 -4.285 -15.236 1.00 25.00 H new ATOM 142 N CYS A 11 -3.026 -1.484 -12.261 1.00 25.00 N ATOM 143 CA CYS A 11 -3.890 -0.510 -11.615 1.00 25.00 C ATOM 144 C CYS A 11 -4.695 0.168 -12.730 1.00 25.00 C ATOM 145 O CYS A 11 -4.149 0.530 -13.773 1.00 25.00 O ATOM 146 CB CYS A 11 -3.055 0.493 -10.810 1.00 25.00 C ATOM 147 SG CYS A 11 -1.768 1.345 -11.776 1.00 25.00 S ATOM 0 H CYS A 11 -2.096 -1.138 -12.498 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.567 -0.980 -10.902 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -3.722 1.239 -10.378 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -2.582 -0.030 -9.979 1.00 25.00 H new ATOM 152 N SER A 12 -6.003 0.274 -12.545 1.00 25.00 N ATOM 153 CA SER A 12 -6.869 0.866 -13.564 1.00 25.00 C ATOM 154 C SER A 12 -6.810 2.383 -13.458 1.00 25.00 C ATOM 155 O SER A 12 -6.277 2.922 -12.487 1.00 25.00 O ATOM 156 CB SER A 12 -8.309 0.388 -13.373 1.00 25.00 C ATOM 157 OG SER A 12 -8.840 0.893 -12.163 1.00 25.00 O ATOM 0 H SER A 12 -6.489 -0.039 -11.705 1.00 25.00 H new ATOM 0 HA SER A 12 -6.525 0.557 -14.551 1.00 25.00 H new ATOM 0 HB2 SER A 12 -8.922 0.717 -14.212 1.00 25.00 H new ATOM 0 HB3 SER A 12 -8.339 -0.702 -13.364 1.00 25.00 H new ATOM 0 HG SER A 12 -9.697 0.457 -11.975 1.00 25.00 H new ATOM 163 N LEU A 13 -7.397 3.077 -14.427 1.00 25.00 N ATOM 164 CA LEU A 13 -7.414 4.542 -14.421 1.00 25.00 C ATOM 165 C LEU A 13 -8.089 5.104 -13.166 1.00 25.00 C ATOM 166 O LEU A 13 -7.729 6.168 -12.692 1.00 25.00 O ATOM 167 CB LEU A 13 -8.106 5.073 -15.687 1.00 25.00 C ATOM 168 CG LEU A 13 -9.639 4.947 -15.779 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.319 6.261 -15.386 1.00 25.00 C ATOM 170 CD2 LEU A 13 -10.057 4.559 -17.187 1.00 25.00 C ATOM 0 H LEU A 13 -7.867 2.653 -15.227 1.00 25.00 H new ATOM 0 HA LEU A 13 -6.378 4.881 -14.411 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -7.851 6.128 -15.790 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.676 4.556 -16.545 1.00 25.00 H new ATOM 0 HG LEU A 13 -9.953 4.168 -15.084 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.401 6.147 -15.459 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -10.049 6.518 -14.362 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -9.992 7.055 -16.057 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -11.143 4.474 -17.234 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -9.722 5.322 -17.889 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.607 3.602 -17.449 1.00 25.00 H new ATOM 182 N TYR A 14 -9.044 4.371 -12.615 1.00 25.00 N ATOM 183 CA TYR A 14 -9.767 4.828 -11.434 1.00 25.00 C ATOM 184 C TYR A 14 -8.851 4.820 -10.223 1.00 25.00 C ATOM 185 O TYR A 14 -8.885 5.722 -9.396 1.00 25.00 O ATOM 186 CB TYR A 14 -10.970 3.918 -11.195 1.00 25.00 C ATOM 187 CG TYR A 14 -11.786 3.709 -12.450 1.00 25.00 C ATOM 188 CD1 TYR A 14 -12.655 4.714 -12.925 1.00 25.00 C ATOM 189 CD2 TYR A 14 -11.686 2.508 -13.182 1.00 25.00 C ATOM 190 CE1 TYR A 14 -13.402 4.526 -14.120 1.00 25.00 C ATOM 191 CE2 TYR A 14 -12.429 2.319 -14.378 1.00 25.00 C ATOM 192 CZ TYR A 14 -13.275 3.333 -14.836 1.00 25.00 C ATOM 193 OH TYR A 14 -13.984 3.148 -15.994 1.00 25.00 O ATOM 0 H TYR A 14 -9.337 3.459 -12.964 1.00 25.00 H new ATOM 0 HA TYR A 14 -10.114 5.849 -11.595 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -10.625 2.953 -10.823 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.603 4.351 -10.420 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.754 5.638 -12.374 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -11.036 1.721 -12.829 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -14.065 5.302 -14.473 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -12.341 1.396 -14.931 1.00 25.00 H new ATOM 0 HH TYR A 14 -13.778 2.265 -16.366 1.00 25.00 H new ATOM 203 N GLN A 15 -7.984 3.823 -10.154 1.00 25.00 N ATOM 204 CA GLN A 15 -7.022 3.739 -9.063 1.00 25.00 C ATOM 205 C GLN A 15 -5.984 4.835 -9.249 1.00 25.00 C ATOM 206 O GLN A 15 -5.574 5.480 -8.295 1.00 25.00 O ATOM 207 CB GLN A 15 -6.338 2.368 -9.042 1.00 25.00 C ATOM 208 CG GLN A 15 -7.308 1.187 -9.057 1.00 25.00 C ATOM 209 CD GLN A 15 -8.413 1.308 -8.028 1.00 25.00 C ATOM 210 OE1 GLN A 15 -9.561 1.504 -8.376 1.00 25.00 O ATOM 211 NE2 GLN A 15 -8.075 1.182 -6.771 1.00 25.00 N ATOM 0 H GLN A 15 -7.925 3.065 -10.834 1.00 25.00 H new ATOM 0 HA GLN A 15 -7.541 3.868 -8.113 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -5.675 2.291 -9.904 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -5.712 2.299 -8.152 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -7.752 1.103 -10.049 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -6.752 0.267 -8.877 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -7.100 1.018 -6.519 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -8.786 1.248 -6.043 1.00 25.00 H new ATOM 220 N LEU A 16 -5.591 5.052 -10.497 1.00 25.00 N ATOM 221 CA LEU A 16 -4.610 6.076 -10.852 1.00 25.00 C ATOM 222 C LEU A 16 -5.076 7.496 -10.524 1.00 25.00 C ATOM 223 O LEU A 16 -4.259 8.332 -10.181 1.00 25.00 O ATOM 224 CB LEU A 16 -4.220 5.961 -12.329 1.00 25.00 C ATOM 225 CG LEU A 16 -3.288 4.778 -12.652 1.00 25.00 C ATOM 226 CD1 LEU A 16 -3.201 4.545 -14.156 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.878 5.021 -12.101 1.00 25.00 C ATOM 0 H LEU A 16 -5.943 4.523 -11.295 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.731 5.890 -10.234 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -5.127 5.866 -12.925 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.732 6.886 -12.636 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.712 3.894 -12.175 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.537 3.704 -14.356 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.194 4.324 -14.548 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.810 5.440 -14.641 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.241 4.170 -12.343 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.463 5.924 -12.549 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -1.926 5.142 -11.019 1.00 25.00 H new ATOM 239 N GLU A 17 -6.373 7.774 -10.597 1.00 25.00 N ATOM 240 CA GLU A 17 -6.887 9.105 -10.231 1.00 25.00 C ATOM 241 C GLU A 17 -6.494 9.477 -8.794 1.00 25.00 C ATOM 242 O GLU A 17 -6.275 10.642 -8.488 1.00 25.00 O ATOM 243 CB GLU A 17 -8.420 9.159 -10.345 1.00 25.00 C ATOM 244 CG GLU A 17 -8.970 9.221 -11.774 1.00 25.00 C ATOM 245 CD GLU A 17 -9.009 10.624 -12.324 1.00 25.00 C ATOM 246 OE1 GLU A 17 -10.022 11.220 -12.567 1.00 25.00 O ATOM 247 OE2 GLU A 17 -7.848 11.135 -12.532 1.00 25.00 O ATOM 0 H GLU A 17 -7.086 7.111 -10.901 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.442 9.816 -10.927 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.835 8.280 -9.851 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.778 10.031 -9.798 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -8.354 8.598 -12.423 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -9.976 8.801 -11.790 1.00 25.00 H new ATOM 255 N ASN A 18 -6.370 8.485 -7.923 1.00 25.00 N ATOM 256 CA ASN A 18 -5.985 8.729 -6.531 1.00 25.00 C ATOM 257 C ASN A 18 -4.538 9.209 -6.410 1.00 25.00 C ATOM 258 O ASN A 18 -4.182 9.886 -5.455 1.00 25.00 O ATOM 259 CB ASN A 18 -6.183 7.473 -5.685 1.00 25.00 C ATOM 260 CG ASN A 18 -7.621 7.047 -5.623 1.00 25.00 C ATOM 261 OD1 ASN A 18 -8.480 7.797 -5.201 1.00 25.00 O ATOM 262 ND2 ASN A 18 -7.895 5.852 -6.063 1.00 25.00 N ATOM 0 H ASN A 18 -6.529 7.504 -8.151 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.635 9.521 -6.159 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -5.584 6.662 -6.098 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -5.817 7.657 -4.675 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -8.858 5.516 -6.061 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -7.146 5.252 -6.409 1.00 25.00 H new ATOM 269 N TYR A 19 -3.696 8.815 -7.358 1.00 25.00 N ATOM 270 CA TYR A 19 -2.269 9.157 -7.324 1.00 25.00 C ATOM 271 C TYR A 19 -2.079 10.643 -7.603 1.00 25.00 C ATOM 272 O TYR A 19 -1.049 11.206 -7.263 1.00 25.00 O ATOM 273 CB TYR A 19 -1.487 8.376 -8.387 1.00 25.00 C ATOM 274 CG TYR A 19 -1.299 6.901 -8.099 1.00 25.00 C ATOM 275 CD1 TYR A 19 -2.403 6.040 -7.952 1.00 25.00 C ATOM 276 CD2 TYR A 19 -0.005 6.353 -7.994 1.00 25.00 C ATOM 277 CE1 TYR A 19 -2.227 4.667 -7.690 1.00 25.00 C ATOM 278 CE2 TYR A 19 0.176 4.969 -7.740 1.00 25.00 C ATOM 279 CZ TYR A 19 -0.944 4.140 -7.581 1.00 25.00 C ATOM 280 OH TYR A 19 -0.804 2.804 -7.305 1.00 25.00 O ATOM 0 H TYR A 19 -3.973 8.256 -8.165 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.897 8.900 -6.332 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -2.001 8.480 -9.342 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.505 8.835 -8.502 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -3.403 6.439 -8.042 1.00 25.00 H new ATOM 0 HD2 TYR A 19 0.857 6.993 -8.108 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -3.087 4.024 -7.574 1.00 25.00 H new ATOM 0 HE2 TYR A 19 1.171 4.556 -7.669 1.00 25.00 H new ATOM 0 HH TYR A 19 0.013 2.662 -6.783 1.00 25.00 H new ATOM 290 N CYS A 20 -3.066 11.261 -8.242 1.00 25.00 N ATOM 291 CA CYS A 20 -3.002 12.677 -8.584 1.00 25.00 C ATOM 292 C CYS A 20 -4.174 13.441 -7.969 1.00 25.00 C ATOM 293 O CYS A 20 -4.593 14.485 -8.459 1.00 25.00 O ATOM 294 CB CYS A 20 -2.994 12.845 -10.106 1.00 25.00 C ATOM 295 SG CYS A 20 -4.483 12.277 -10.996 1.00 25.00 S ATOM 0 H CYS A 20 -3.927 10.799 -8.536 1.00 25.00 H new ATOM 0 HA CYS A 20 -2.080 13.091 -8.175 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -2.843 13.901 -10.332 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -2.133 12.308 -10.504 1.00 25.00 H new ATOM 300 N ASN A 21 -4.706 12.896 -6.872 1.00 25.00 N ATOM 301 CA ASN A 21 -5.861 13.488 -6.180 1.00 25.00 C ATOM 302 C ASN A 21 -5.536 14.817 -5.502 1.00 25.00 C ATOM 303 O ASN A 21 -6.135 15.846 -5.709 1.00 25.00 O ATOM 304 CB ASN A 21 -6.479 12.484 -5.185 1.00 25.00 C ATOM 305 CG ASN A 21 -7.737 13.033 -4.578 1.00 25.00 C ATOM 306 OD1 ASN A 21 -7.760 13.826 -3.674 1.00 25.00 O ATOM 307 ND2 ASN A 21 -8.868 12.564 -5.085 1.00 25.00 N ATOM 308 OXT ASN A 21 -4.554 14.769 -4.659 1.00 25.00 O ATOM 0 H ASN A 21 -4.355 12.041 -6.440 1.00 25.00 H new ATOM 0 HA ASN A 21 -6.602 13.715 -6.947 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -6.697 11.547 -5.697 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -5.760 12.257 -4.398 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -9.763 12.875 -4.709 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -8.843 11.892 -5.852 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -9.166 2.825 -22.114 1.00 25.00 N ATOM 318 CA PHE B 1 -7.925 2.428 -21.391 1.00 25.00 C ATOM 319 C PHE B 1 -7.523 1.025 -21.799 1.00 25.00 C ATOM 320 O PHE B 1 -8.365 0.282 -22.270 1.00 25.00 O ATOM 321 CB PHE B 1 -8.171 2.497 -19.877 1.00 25.00 C ATOM 322 CG PHE B 1 -6.910 2.624 -19.057 1.00 25.00 C ATOM 323 CD1 PHE B 1 -6.280 3.877 -18.909 1.00 25.00 C ATOM 324 CD2 PHE B 1 -6.354 1.501 -18.410 1.00 25.00 C ATOM 325 CE1 PHE B 1 -5.102 4.010 -18.130 1.00 25.00 C ATOM 326 CE2 PHE B 1 -5.175 1.623 -17.628 1.00 25.00 C ATOM 327 CZ PHE B 1 -4.549 2.880 -17.496 1.00 25.00 C ATOM 0 H1 PHE B 1 -8.943 3.572 -22.802 1.00 25.00 H new ATOM 0 H2 PHE B 1 -9.556 2.000 -22.613 1.00 25.00 H new ATOM 0 H3 PHE B 1 -9.867 3.180 -21.432 1.00 25.00 H new ATOM 0 HA PHE B 1 -7.116 3.111 -21.649 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -8.819 3.347 -19.663 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -8.707 1.601 -19.565 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -6.699 4.746 -19.395 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -6.830 0.537 -18.510 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -4.630 4.976 -18.023 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.759 0.756 -17.136 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.647 2.976 -16.910 1.00 25.00 H new ATOM 339 N VAL B 2 -6.255 0.670 -21.653 1.00 25.00 N ATOM 340 CA VAL B 2 -5.765 -0.652 -22.048 1.00 25.00 C ATOM 341 C VAL B 2 -4.814 -1.099 -20.946 1.00 25.00 C ATOM 342 O VAL B 2 -4.144 -0.264 -20.337 1.00 25.00 O ATOM 343 CB VAL B 2 -5.066 -0.604 -23.456 1.00 25.00 C ATOM 344 CG1 VAL B 2 -3.839 0.325 -23.450 1.00 25.00 C ATOM 345 CG2 VAL B 2 -4.664 -2.011 -23.924 1.00 25.00 C ATOM 0 H VAL B 2 -5.538 1.281 -21.261 1.00 25.00 H new ATOM 0 HA VAL B 2 -6.583 -1.364 -22.157 1.00 25.00 H new ATOM 0 HB VAL B 2 -5.793 -0.198 -24.160 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -3.383 0.332 -24.440 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -4.149 1.336 -23.186 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -3.114 -0.034 -22.719 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -4.183 -1.946 -24.900 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -3.970 -2.449 -23.206 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -5.553 -2.638 -23.998 1.00 25.00 H new ATOM 355 N ASN B 3 -4.804 -2.385 -20.625 1.00 25.00 N ATOM 356 CA ASN B 3 -3.934 -2.870 -19.561 1.00 25.00 C ATOM 357 C ASN B 3 -2.521 -3.075 -20.073 1.00 25.00 C ATOM 358 O ASN B 3 -2.294 -3.758 -21.061 1.00 25.00 O ATOM 359 CB ASN B 3 -4.444 -4.176 -18.920 1.00 25.00 C ATOM 360 CG ASN B 3 -4.389 -5.366 -19.852 1.00 25.00 C ATOM 361 OD1 ASN B 3 -3.464 -6.149 -19.794 1.00 25.00 O ATOM 362 ND2 ASN B 3 -5.407 -5.541 -20.655 1.00 25.00 N ATOM 0 H ASN B 3 -5.376 -3.100 -21.075 1.00 25.00 H new ATOM 0 HA ASN B 3 -3.939 -2.101 -18.789 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -3.850 -4.392 -18.032 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -5.472 -4.031 -18.588 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -5.443 -6.360 -21.262 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -6.165 -4.859 -20.674 1.00 25.00 H new ATOM 369 N GLN B 4 -1.576 -2.476 -19.373 1.00 25.00 N ATOM 370 CA GLN B 4 -0.163 -2.727 -19.582 1.00 25.00 C ATOM 371 C GLN B 4 0.508 -2.264 -18.301 1.00 25.00 C ATOM 372 O GLN B 4 0.099 -1.268 -17.706 1.00 25.00 O ATOM 373 CB GLN B 4 0.389 -1.975 -20.806 1.00 25.00 C ATOM 374 CG GLN B 4 0.148 -0.479 -20.794 1.00 25.00 C ATOM 375 CD GLN B 4 0.631 0.190 -22.062 1.00 25.00 C ATOM 376 OE1 GLN B 4 1.819 0.257 -22.328 1.00 25.00 O ATOM 377 NE2 GLN B 4 -0.286 0.696 -22.844 1.00 25.00 N ATOM 0 H GLN B 4 -1.769 -1.796 -18.638 1.00 25.00 H new ATOM 0 HA GLN B 4 0.026 -3.780 -19.792 1.00 25.00 H new ATOM 0 HB2 GLN B 4 1.462 -2.156 -20.872 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -0.061 -2.394 -21.706 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -0.917 -0.286 -20.667 1.00 25.00 H new ATOM 0 HG3 GLN B 4 0.657 -0.038 -19.937 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -1.271 0.621 -22.590 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -0.017 1.165 -23.709 1.00 25.00 H new ATOM 386 N HIS B 5 1.505 -2.998 -17.848 1.00 25.00 N ATOM 387 CA HIS B 5 2.277 -2.570 -16.686 1.00 25.00 C ATOM 388 C HIS B 5 3.140 -1.366 -17.024 1.00 25.00 C ATOM 389 O HIS B 5 3.828 -1.353 -18.038 1.00 25.00 O ATOM 390 CB HIS B 5 3.157 -3.703 -16.197 1.00 25.00 C ATOM 391 CG HIS B 5 2.482 -4.572 -15.200 1.00 25.00 C ATOM 392 ND1 HIS B 5 2.056 -4.119 -13.956 1.00 25.00 N ATOM 393 CD2 HIS B 5 2.133 -5.873 -15.232 1.00 25.00 C ATOM 394 CE1 HIS B 5 1.496 -5.121 -13.315 1.00 25.00 C ATOM 395 NE2 HIS B 5 1.543 -6.190 -14.056 1.00 25.00 N ATOM 0 H HIS B 5 1.801 -3.884 -18.257 1.00 25.00 H new ATOM 0 HA HIS B 5 1.577 -2.289 -15.899 1.00 25.00 H new ATOM 0 HB2 HIS B 5 3.467 -4.309 -17.049 1.00 25.00 H new ATOM 0 HB3 HIS B 5 4.063 -3.288 -15.755 1.00 25.00 H new ATOM 0 HD1 HIS B 5 2.161 -3.169 -13.601 1.00 25.00 H new ATOM 0 HD2 HIS B 5 2.297 -6.550 -16.058 1.00 25.00 H new ATOM 0 HE1 HIS B 5 1.064 -5.066 -12.327 1.00 25.00 H new ATOM 404 N LEU B 6 3.101 -0.363 -16.159 1.00 25.00 N ATOM 405 CA LEU B 6 3.865 0.863 -16.354 1.00 25.00 C ATOM 406 C LEU B 6 4.519 1.214 -15.022 1.00 25.00 C ATOM 407 O LEU B 6 3.857 1.224 -13.992 1.00 25.00 O ATOM 408 CB LEU B 6 2.928 1.996 -16.809 1.00 25.00 C ATOM 409 CG LEU B 6 2.188 1.759 -18.144 1.00 25.00 C ATOM 410 CD1 LEU B 6 1.085 2.784 -18.331 1.00 25.00 C ATOM 411 CD2 LEU B 6 3.125 1.821 -19.349 1.00 25.00 C ATOM 0 H LEU B 6 2.542 -0.374 -15.306 1.00 25.00 H new ATOM 0 HA LEU B 6 4.626 0.728 -17.123 1.00 25.00 H new ATOM 0 HB2 LEU B 6 2.186 2.164 -16.029 1.00 25.00 H new ATOM 0 HB3 LEU B 6 3.512 2.912 -16.896 1.00 25.00 H new ATOM 0 HG LEU B 6 1.766 0.755 -18.089 1.00 25.00 H new ATOM 0 HD11 LEU B 6 0.575 2.601 -19.277 1.00 25.00 H new ATOM 0 HD12 LEU B 6 0.371 2.703 -17.512 1.00 25.00 H new ATOM 0 HD13 LEU B 6 1.516 3.785 -18.339 1.00 25.00 H new ATOM 0 HD21 LEU B 6 2.555 1.648 -20.262 1.00 25.00 H new ATOM 0 HD22 LEU B 6 3.594 2.804 -19.395 1.00 25.00 H new ATOM 0 HD23 LEU B 6 3.895 1.056 -19.251 1.00 25.00 H new ATOM 423 N CYS B 7 5.819 1.468 -15.043 1.00 25.00 N ATOM 424 CA CYS B 7 6.574 1.810 -13.838 1.00 25.00 C ATOM 425 C CYS B 7 7.532 2.942 -14.191 1.00 25.00 C ATOM 426 O CYS B 7 7.810 3.171 -15.371 1.00 25.00 O ATOM 427 CB CYS B 7 7.373 0.596 -13.343 1.00 25.00 C ATOM 428 SG CYS B 7 6.333 -0.822 -12.867 1.00 25.00 S ATOM 0 H CYS B 7 6.383 1.444 -15.892 1.00 25.00 H new ATOM 0 HA CYS B 7 5.890 2.115 -13.046 1.00 25.00 H new ATOM 0 HB2 CYS B 7 8.063 0.282 -14.127 1.00 25.00 H new ATOM 0 HB3 CYS B 7 7.978 0.895 -12.487 1.00 25.00 H new ATOM 433 N GLY B 8 8.045 3.643 -13.190 1.00 25.00 N ATOM 434 CA GLY B 8 8.998 4.712 -13.450 1.00 25.00 C ATOM 435 C GLY B 8 8.386 5.819 -14.285 1.00 25.00 C ATOM 436 O GLY B 8 7.229 6.175 -14.097 1.00 25.00 O ATOM 0 H GLY B 8 7.822 3.495 -12.206 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.351 5.123 -12.504 1.00 25.00 H new ATOM 0 HA3 GLY B 8 9.868 4.306 -13.966 1.00 25.00 H new ATOM 440 N SER B 9 9.140 6.326 -15.249 1.00 25.00 N ATOM 441 CA SER B 9 8.659 7.383 -16.141 1.00 25.00 C ATOM 442 C SER B 9 7.430 6.956 -16.943 1.00 25.00 C ATOM 443 O SER B 9 6.592 7.773 -17.287 1.00 25.00 O ATOM 444 CB SER B 9 9.774 7.778 -17.105 1.00 25.00 C ATOM 445 OG SER B 9 10.254 6.635 -17.797 1.00 25.00 O ATOM 0 H SER B 9 10.095 6.023 -15.438 1.00 25.00 H new ATOM 0 HA SER B 9 8.368 8.229 -15.518 1.00 25.00 H new ATOM 0 HB2 SER B 9 9.404 8.515 -17.818 1.00 25.00 H new ATOM 0 HB3 SER B 9 10.590 8.248 -16.556 1.00 25.00 H new ATOM 0 HG SER B 9 10.968 6.902 -18.414 1.00 25.00 H new ATOM 451 N HIS B 10 7.293 5.668 -17.215 1.00 25.00 N ATOM 452 CA HIS B 10 6.120 5.188 -17.947 1.00 25.00 C ATOM 453 C HIS B 10 4.857 5.316 -17.093 1.00 25.00 C ATOM 454 O HIS B 10 3.780 5.546 -17.619 1.00 25.00 O ATOM 455 CB HIS B 10 6.320 3.745 -18.406 1.00 25.00 C ATOM 456 CG HIS B 10 7.230 3.615 -19.590 1.00 25.00 C ATOM 457 ND1 HIS B 10 6.832 3.050 -20.806 1.00 25.00 N ATOM 458 CD2 HIS B 10 8.526 3.981 -19.788 1.00 25.00 C ATOM 459 CE1 HIS B 10 7.854 3.094 -21.653 1.00 25.00 C ATOM 460 NE2 HIS B 10 8.880 3.647 -21.059 1.00 25.00 N ATOM 0 H HIS B 10 7.961 4.945 -16.949 1.00 25.00 H new ATOM 0 HA HIS B 10 5.995 5.811 -18.833 1.00 25.00 H new ATOM 0 HB2 HIS B 10 6.727 3.162 -17.579 1.00 25.00 H new ATOM 0 HB3 HIS B 10 5.350 3.313 -18.654 1.00 25.00 H new ATOM 0 HD2 HIS B 10 9.166 4.456 -19.059 1.00 25.00 H new ATOM 0 HE1 HIS B 10 7.840 2.731 -22.670 1.00 25.00 H new ATOM 0 HE2 HIS B 10 9.796 3.803 -21.480 1.00 25.00 H new ATOM 469 N LEU B 11 4.990 5.202 -15.777 1.00 25.00 N ATOM 470 CA LEU B 11 3.845 5.389 -14.882 1.00 25.00 C ATOM 471 C LEU B 11 3.491 6.873 -14.802 1.00 25.00 C ATOM 472 O LEU B 11 2.328 7.239 -14.745 1.00 25.00 O ATOM 473 CB LEU B 11 4.150 4.835 -13.485 1.00 25.00 C ATOM 474 CG LEU B 11 2.970 4.782 -12.498 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.804 3.942 -13.025 1.00 25.00 C ATOM 476 CD2 LEU B 11 3.453 4.184 -11.181 1.00 25.00 C ATOM 0 H LEU B 11 5.868 4.983 -15.306 1.00 25.00 H new ATOM 0 HA LEU B 11 2.993 4.840 -15.283 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.548 3.826 -13.597 1.00 25.00 H new ATOM 0 HB3 LEU B 11 4.940 5.442 -13.042 1.00 25.00 H new ATOM 0 HG LEU B 11 2.608 5.801 -12.361 1.00 25.00 H new ATOM 0 HD11 LEU B 11 0.998 3.937 -12.291 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.441 4.369 -13.960 1.00 25.00 H new ATOM 0 HD13 LEU B 11 2.141 2.920 -13.200 1.00 25.00 H new ATOM 0 HD21 LEU B 11 2.624 4.142 -10.475 1.00 25.00 H new ATOM 0 HD22 LEU B 11 3.832 3.177 -11.356 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.249 4.805 -10.770 1.00 25.00 H new ATOM 488 N VAL B 12 4.502 7.727 -14.866 1.00 25.00 N ATOM 489 CA VAL B 12 4.288 9.178 -14.895 1.00 25.00 C ATOM 490 C VAL B 12 3.494 9.539 -16.160 1.00 25.00 C ATOM 491 O VAL B 12 2.558 10.325 -16.113 1.00 25.00 O ATOM 492 CB VAL B 12 5.658 9.937 -14.857 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.474 11.442 -14.973 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.402 9.614 -13.553 1.00 25.00 C ATOM 0 H VAL B 12 5.482 7.446 -14.899 1.00 25.00 H new ATOM 0 HA VAL B 12 3.720 9.482 -14.016 1.00 25.00 H new ATOM 0 HB VAL B 12 6.242 9.600 -15.713 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.448 11.931 -14.942 1.00 25.00 H new ATOM 0 HG12 VAL B 12 4.980 11.677 -15.916 1.00 25.00 H new ATOM 0 HG13 VAL B 12 4.863 11.799 -14.144 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.353 10.146 -13.535 1.00 25.00 H new ATOM 0 HG22 VAL B 12 5.796 9.925 -12.702 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.585 8.541 -13.495 1.00 25.00 H new ATOM 504 N GLU B 13 3.818 8.900 -17.277 1.00 25.00 N ATOM 505 CA GLU B 13 3.080 9.124 -18.526 1.00 25.00 C ATOM 506 C GLU B 13 1.652 8.586 -18.449 1.00 25.00 C ATOM 507 O GLU B 13 0.756 9.096 -19.110 1.00 25.00 O ATOM 508 CB GLU B 13 3.819 8.480 -19.701 1.00 25.00 C ATOM 509 CG GLU B 13 5.102 9.217 -20.077 1.00 25.00 C ATOM 510 CD GLU B 13 4.848 10.644 -20.475 1.00 25.00 C ATOM 511 OE1 GLU B 13 4.120 10.965 -21.360 1.00 25.00 O ATOM 512 OE2 GLU B 13 5.475 11.500 -19.750 1.00 25.00 O ATOM 0 H GLU B 13 4.580 8.226 -17.350 1.00 25.00 H new ATOM 0 HA GLU B 13 3.021 10.201 -18.681 1.00 25.00 H new ATOM 0 HB2 GLU B 13 4.061 7.448 -19.449 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.157 8.450 -20.567 1.00 25.00 H new ATOM 0 HG2 GLU B 13 5.791 9.195 -19.233 1.00 25.00 H new ATOM 0 HG3 GLU B 13 5.590 8.695 -20.900 1.00 25.00 H new ATOM 520 N ALA B 14 1.416 7.594 -17.605 1.00 25.00 N ATOM 521 CA ALA B 14 0.062 7.096 -17.403 1.00 25.00 C ATOM 522 C ALA B 14 -0.754 8.186 -16.707 1.00 25.00 C ATOM 523 O ALA B 14 -1.889 8.456 -17.072 1.00 25.00 O ATOM 524 CB ALA B 14 0.084 5.821 -16.554 1.00 25.00 C ATOM 0 H ALA B 14 2.133 7.122 -17.054 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.391 6.851 -18.364 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.935 5.461 -16.412 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.672 5.056 -17.062 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.531 6.038 -15.584 1.00 25.00 H new ATOM 530 N LEU B 15 -0.155 8.812 -15.707 1.00 25.00 N ATOM 531 CA LEU B 15 -0.826 9.855 -14.934 1.00 25.00 C ATOM 532 C LEU B 15 -1.109 11.096 -15.769 1.00 25.00 C ATOM 533 O LEU B 15 -2.141 11.737 -15.578 1.00 25.00 O ATOM 534 CB LEU B 15 0.015 10.220 -13.712 1.00 25.00 C ATOM 535 CG LEU B 15 0.141 9.107 -12.662 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.194 9.461 -11.622 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.188 8.869 -11.975 1.00 25.00 C ATOM 0 H LEU B 15 0.800 8.617 -15.407 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.788 9.458 -14.610 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.014 10.500 -14.046 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.421 11.100 -13.238 1.00 25.00 H new ATOM 0 HG LEU B 15 0.445 8.196 -13.178 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.266 8.658 -10.889 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.159 9.592 -12.111 1.00 25.00 H new ATOM 0 HD13 LEU B 15 0.913 10.387 -11.120 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.078 8.077 -11.235 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.511 9.785 -11.481 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -1.932 8.574 -12.715 1.00 25.00 H new ATOM 549 N TYR B 16 -0.248 11.380 -16.743 1.00 25.00 N ATOM 550 CA TYR B 16 -0.490 12.476 -17.688 1.00 25.00 C ATOM 551 C TYR B 16 -1.843 12.277 -18.364 1.00 25.00 C ATOM 552 O TYR B 16 -2.615 13.212 -18.509 1.00 25.00 O ATOM 553 CB TYR B 16 0.585 12.504 -18.786 1.00 25.00 C ATOM 554 CG TYR B 16 1.706 13.493 -18.557 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.527 14.864 -18.834 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.964 13.065 -18.085 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.584 15.794 -18.632 1.00 25.00 C ATOM 558 CE2 TYR B 16 4.024 13.991 -17.889 1.00 25.00 C ATOM 559 CZ TYR B 16 3.821 15.343 -18.162 1.00 25.00 C ATOM 560 OH TYR B 16 4.848 16.230 -17.971 1.00 25.00 O ATOM 0 H TYR B 16 0.621 10.871 -16.901 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.465 13.411 -17.129 1.00 25.00 H new ATOM 0 HB2 TYR B 16 1.014 11.506 -18.879 1.00 25.00 H new ATOM 0 HB3 TYR B 16 0.106 12.735 -19.737 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.574 15.213 -19.205 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.124 12.019 -17.869 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.432 16.843 -18.841 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.983 13.649 -17.530 1.00 25.00 H new ATOM 0 HH TYR B 16 5.636 15.751 -17.640 1.00 25.00 H new ATOM 570 N LEU B 17 -2.123 11.053 -18.786 1.00 25.00 N ATOM 571 CA LEU B 17 -3.389 10.745 -19.448 1.00 25.00 C ATOM 572 C LEU B 17 -4.583 10.754 -18.494 1.00 25.00 C ATOM 573 O LEU B 17 -5.662 11.214 -18.842 1.00 25.00 O ATOM 574 CB LEU B 17 -3.323 9.363 -20.097 1.00 25.00 C ATOM 575 CG LEU B 17 -2.251 9.145 -21.177 1.00 25.00 C ATOM 576 CD1 LEU B 17 -2.195 7.655 -21.531 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.539 9.970 -22.432 1.00 25.00 C ATOM 0 H LEU B 17 -1.494 10.256 -18.684 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.535 11.529 -20.191 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.163 8.627 -19.309 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.296 9.151 -20.539 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.290 9.474 -20.782 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.437 7.491 -22.297 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.942 7.079 -20.641 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -3.166 7.334 -21.907 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.760 9.790 -23.173 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.506 9.680 -22.844 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.557 11.029 -22.175 1.00 25.00 H new ATOM 589 N VAL B 18 -4.400 10.168 -17.320 1.00 25.00 N ATOM 590 CA VAL B 18 -5.506 9.959 -16.377 1.00 25.00 C ATOM 591 C VAL B 18 -5.962 11.256 -15.726 1.00 25.00 C ATOM 592 O VAL B 18 -7.161 11.522 -15.617 1.00 25.00 O ATOM 593 CB VAL B 18 -5.093 8.933 -15.286 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.162 8.802 -14.214 1.00 25.00 C ATOM 595 CG2 VAL B 18 -4.858 7.574 -15.926 1.00 25.00 C ATOM 0 H VAL B 18 -3.497 9.826 -16.991 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.348 9.567 -16.948 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.177 9.292 -14.816 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -5.841 8.076 -13.467 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.319 9.769 -13.737 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.094 8.466 -14.669 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.568 6.856 -15.159 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.774 7.237 -16.411 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -4.063 7.654 -16.667 1.00 25.00 H new ATOM 605 N CYS B 19 -5.019 12.081 -15.304 1.00 25.00 N ATOM 606 CA CYS B 19 -5.382 13.366 -14.711 1.00 25.00 C ATOM 607 C CYS B 19 -5.558 14.414 -15.814 1.00 25.00 C ATOM 608 O CYS B 19 -6.238 15.430 -15.627 1.00 25.00 O ATOM 609 CB CYS B 19 -4.354 13.812 -13.670 1.00 25.00 C ATOM 610 SG CYS B 19 -5.090 13.941 -12.000 1.00 25.00 S ATOM 0 H CYS B 19 -4.017 11.895 -15.356 1.00 25.00 H new ATOM 0 HA CYS B 19 -6.331 13.253 -14.186 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.527 13.102 -13.649 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -3.939 14.777 -13.960 1.00 25.00 H new ATOM 615 N GLY B 20 -5.018 14.146 -16.992 1.00 25.00 N ATOM 616 CA GLY B 20 -5.209 15.049 -18.110 1.00 25.00 C ATOM 617 C GLY B 20 -4.494 16.375 -17.944 1.00 25.00 C ATOM 618 O GLY B 20 -3.537 16.512 -17.182 1.00 25.00 O ATOM 0 H GLY B 20 -4.452 13.322 -17.195 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -4.856 14.566 -19.021 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -6.275 15.234 -18.240 1.00 25.00 H new ATOM 622 N GLU B 21 -4.984 17.372 -18.661 1.00 25.00 N ATOM 623 CA GLU B 21 -4.374 18.704 -18.687 1.00 25.00 C ATOM 624 C GLU B 21 -4.392 19.484 -17.365 1.00 25.00 C ATOM 625 O GLU B 21 -3.810 20.557 -17.293 1.00 25.00 O ATOM 626 CB GLU B 21 -5.037 19.554 -19.784 1.00 25.00 C ATOM 627 CG GLU B 21 -6.487 19.966 -19.493 1.00 25.00 C ATOM 628 CD GLU B 21 -7.092 20.757 -20.619 1.00 25.00 C ATOM 629 OE1 GLU B 21 -6.609 21.753 -21.062 1.00 25.00 O ATOM 630 OE2 GLU B 21 -8.192 20.243 -21.079 1.00 25.00 O ATOM 0 H GLU B 21 -5.816 17.288 -19.244 1.00 25.00 H new ATOM 0 HA GLU B 21 -3.319 18.518 -18.890 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -4.442 20.455 -19.935 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -5.014 18.996 -20.720 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -7.087 19.074 -19.315 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -6.518 20.558 -18.578 1.00 25.00 H new ATOM 638 N ARG B 22 -5.061 18.984 -16.326 1.00 25.00 N ATOM 639 CA ARG B 22 -5.108 19.716 -15.055 1.00 25.00 C ATOM 640 C ARG B 22 -3.755 19.675 -14.334 1.00 25.00 C ATOM 641 O ARG B 22 -3.530 20.408 -13.379 1.00 25.00 O ATOM 642 CB ARG B 22 -6.222 19.173 -14.152 1.00 25.00 C ATOM 643 CG ARG B 22 -5.797 18.046 -13.225 1.00 25.00 C ATOM 644 CD ARG B 22 -6.984 17.420 -12.559 1.00 25.00 C ATOM 645 NE ARG B 22 -7.642 16.487 -13.475 1.00 25.00 N ATOM 646 CZ ARG B 22 -8.663 15.694 -13.173 1.00 25.00 C ATOM 647 NH1 ARG B 22 -9.228 15.696 -11.990 1.00 25.00 N ATOM 648 NH2 ARG B 22 -9.118 14.877 -14.082 1.00 25.00 N ATOM 0 H ARG B 22 -5.567 18.098 -16.334 1.00 25.00 H new ATOM 0 HA ARG B 22 -5.330 20.758 -15.284 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -6.614 19.992 -13.549 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -7.040 18.820 -14.780 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -5.253 17.290 -13.792 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -5.113 18.431 -12.469 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -6.670 16.895 -11.657 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -7.687 18.194 -12.249 1.00 25.00 H new ATOM 0 HE ARG B 22 -7.285 16.442 -14.429 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -8.885 16.323 -11.262 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -10.011 15.071 -11.798 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -8.690 14.854 -15.008 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -9.902 14.261 -13.867 1.00 25.00 H new ATOM 662 N GLY B 23 -2.873 18.796 -14.795 1.00 25.00 N ATOM 663 CA GLY B 23 -1.586 18.603 -14.148 1.00 25.00 C ATOM 664 C GLY B 23 -1.717 17.521 -13.097 1.00 25.00 C ATOM 665 O GLY B 23 -2.817 17.041 -12.839 1.00 25.00 O ATOM 0 H GLY B 23 -3.028 18.207 -15.614 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -0.833 18.322 -14.885 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -1.252 19.534 -13.690 1.00 25.00 H new ATOM 669 N PHE B 24 -0.602 17.090 -12.529 1.00 25.00 N ATOM 670 CA PHE B 24 -0.606 16.017 -11.542 1.00 25.00 C ATOM 671 C PHE B 24 0.727 16.025 -10.814 1.00 25.00 C ATOM 672 O PHE B 24 1.639 16.753 -11.201 1.00 25.00 O ATOM 673 CB PHE B 24 -0.815 14.657 -12.222 1.00 25.00 C ATOM 674 CG PHE B 24 0.321 14.231 -13.086 1.00 25.00 C ATOM 675 CD1 PHE B 24 0.482 14.762 -14.374 1.00 25.00 C ATOM 676 CD2 PHE B 24 1.236 13.276 -12.618 1.00 25.00 C ATOM 677 CE1 PHE B 24 1.552 14.358 -15.182 1.00 25.00 C ATOM 678 CE2 PHE B 24 2.302 12.853 -13.418 1.00 25.00 C ATOM 679 CZ PHE B 24 2.466 13.398 -14.707 1.00 25.00 C ATOM 0 H PHE B 24 0.323 17.468 -12.735 1.00 25.00 H new ATOM 0 HA PHE B 24 -1.423 16.176 -10.838 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.978 13.900 -11.455 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.721 14.700 -12.826 1.00 25.00 H new ATOM 0 HD1 PHE B 24 -0.225 15.489 -14.746 1.00 25.00 H new ATOM 0 HD2 PHE B 24 1.116 12.862 -11.628 1.00 25.00 H new ATOM 0 HE1 PHE B 24 1.676 14.782 -16.168 1.00 25.00 H new ATOM 0 HE2 PHE B 24 2.996 12.112 -13.050 1.00 25.00 H new ATOM 0 HZ PHE B 24 3.290 13.080 -15.329 1.00 25.00 H new ATOM 689 N PHE B 25 0.849 15.184 -9.800 1.00 25.00 N ATOM 690 CA PHE B 25 2.092 15.023 -9.059 1.00 25.00 C ATOM 691 C PHE B 25 2.375 13.530 -8.982 1.00 25.00 C ATOM 692 O PHE B 25 1.497 12.715 -9.263 1.00 25.00 O ATOM 693 CB PHE B 25 1.967 15.634 -7.657 1.00 25.00 C ATOM 694 CG PHE B 25 0.873 15.017 -6.823 1.00 25.00 C ATOM 695 CD1 PHE B 25 -0.443 15.525 -6.874 1.00 25.00 C ATOM 696 CD2 PHE B 25 1.152 13.929 -5.971 1.00 25.00 C ATOM 697 CE1 PHE B 25 -1.473 14.948 -6.093 1.00 25.00 C ATOM 698 CE2 PHE B 25 0.130 13.348 -5.183 1.00 25.00 C ATOM 699 CZ PHE B 25 -1.183 13.856 -5.247 1.00 25.00 C ATOM 0 H PHE B 25 0.088 14.592 -9.466 1.00 25.00 H new ATOM 0 HA PHE B 25 2.912 15.540 -9.557 1.00 25.00 H new ATOM 0 HB2 PHE B 25 2.917 15.521 -7.135 1.00 25.00 H new ATOM 0 HB3 PHE B 25 1.780 16.704 -7.752 1.00 25.00 H new ATOM 0 HD1 PHE B 25 -0.667 16.364 -7.516 1.00 25.00 H new ATOM 0 HD2 PHE B 25 2.156 13.535 -5.919 1.00 25.00 H new ATOM 0 HE1 PHE B 25 -2.477 15.342 -6.144 1.00 25.00 H new ATOM 0 HE2 PHE B 25 0.356 12.516 -4.533 1.00 25.00 H new ATOM 0 HZ PHE B 25 -1.965 13.411 -4.650 1.00 25.00 H new ATOM 709 N TYR B 26 3.597 13.168 -8.624 1.00 25.00 N ATOM 710 CA TYR B 26 3.998 11.768 -8.544 1.00 25.00 C ATOM 711 C TYR B 26 5.013 11.628 -7.422 1.00 25.00 C ATOM 712 O TYR B 26 5.761 12.562 -7.152 1.00 25.00 O ATOM 713 CB TYR B 26 4.616 11.325 -9.875 1.00 25.00 C ATOM 714 CG TYR B 26 5.138 9.906 -9.844 1.00 25.00 C ATOM 715 CD1 TYR B 26 4.253 8.815 -9.730 1.00 25.00 C ATOM 716 CD2 TYR B 26 6.521 9.644 -9.903 1.00 25.00 C ATOM 717 CE1 TYR B 26 4.740 7.486 -9.681 1.00 25.00 C ATOM 718 CE2 TYR B 26 7.012 8.313 -9.862 1.00 25.00 C ATOM 719 CZ TYR B 26 6.114 7.248 -9.750 1.00 25.00 C ATOM 720 OH TYR B 26 6.595 5.963 -9.703 1.00 25.00 O ATOM 0 H TYR B 26 4.335 13.829 -8.382 1.00 25.00 H new ATOM 0 HA TYR B 26 3.131 11.138 -8.343 1.00 25.00 H new ATOM 0 HB2 TYR B 26 3.868 11.413 -10.663 1.00 25.00 H new ATOM 0 HB3 TYR B 26 5.432 12.000 -10.132 1.00 25.00 H new ATOM 0 HD1 TYR B 26 3.189 8.995 -9.679 1.00 25.00 H new ATOM 0 HD2 TYR B 26 7.217 10.467 -9.980 1.00 25.00 H new ATOM 0 HE1 TYR B 26 4.051 6.659 -9.591 1.00 25.00 H new ATOM 0 HE2 TYR B 26 8.074 8.124 -9.917 1.00 25.00 H new ATOM 0 HH TYR B 26 7.573 5.977 -9.764 1.00 25.00 H new ATOM 730 N THR B 27 5.043 10.467 -6.784 1.00 25.00 N ATOM 731 CA THR B 27 5.967 10.192 -5.685 1.00 25.00 C ATOM 732 C THR B 27 7.064 9.194 -6.117 1.00 25.00 C ATOM 733 O THR B 27 6.878 7.972 -6.056 1.00 25.00 O ATOM 734 CB THR B 27 5.186 9.634 -4.480 1.00 25.00 C ATOM 735 OG1 THR B 27 4.231 8.669 -4.933 1.00 25.00 O ATOM 736 CG2 THR B 27 4.406 10.746 -3.784 1.00 25.00 C ATOM 0 H THR B 27 4.428 9.686 -7.011 1.00 25.00 H new ATOM 0 HA THR B 27 6.455 11.125 -5.402 1.00 25.00 H new ATOM 0 HB THR B 27 5.905 9.188 -3.792 1.00 25.00 H new ATOM 0 HG1 THR B 27 4.677 8.011 -5.506 1.00 25.00 H new ATOM 0 HG21 THR B 27 3.861 10.332 -2.936 1.00 25.00 H new ATOM 0 HG22 THR B 27 5.098 11.511 -3.432 1.00 25.00 H new ATOM 0 HG23 THR B 27 3.701 11.190 -4.486 1.00 25.00 H new ATOM 744 N PRO B 28 8.219 9.702 -6.592 1.00 25.00 N ATOM 745 CA PRO B 28 9.288 8.788 -7.011 1.00 25.00 C ATOM 746 C PRO B 28 10.069 8.206 -5.831 1.00 25.00 C ATOM 747 O PRO B 28 9.888 8.611 -4.687 1.00 25.00 O ATOM 748 CB PRO B 28 10.185 9.696 -7.853 1.00 25.00 C ATOM 749 CG PRO B 28 10.077 11.007 -7.182 1.00 25.00 C ATOM 750 CD PRO B 28 8.624 11.110 -6.787 1.00 25.00 C ATOM 0 HA PRO B 28 8.903 7.915 -7.539 1.00 25.00 H new ATOM 0 HB2 PRO B 28 11.214 9.338 -7.871 1.00 25.00 H new ATOM 0 HB3 PRO B 28 9.847 9.746 -8.888 1.00 25.00 H new ATOM 0 HG2 PRO B 28 10.730 11.062 -6.311 1.00 25.00 H new ATOM 0 HG3 PRO B 28 10.366 11.819 -7.849 1.00 25.00 H new ATOM 0 HD2 PRO B 28 8.496 11.694 -5.876 1.00 25.00 H new ATOM 0 HD3 PRO B 28 8.031 11.595 -7.562 1.00 25.00 H new ATOM 758 N LYS B 29 10.982 7.289 -6.126 1.00 25.00 N ATOM 759 CA LYS B 29 11.887 6.733 -5.139 1.00 25.00 C ATOM 760 C LYS B 29 13.139 6.415 -5.922 1.00 25.00 C ATOM 761 O LYS B 29 13.082 6.219 -7.135 1.00 25.00 O ATOM 762 CB LYS B 29 11.318 5.464 -4.496 1.00 25.00 C ATOM 763 CG LYS B 29 11.026 4.317 -5.486 1.00 25.00 C ATOM 764 CD LYS B 29 10.641 3.011 -4.778 1.00 25.00 C ATOM 765 CE LYS B 29 11.825 2.373 -4.017 1.00 25.00 C ATOM 766 NZ LYS B 29 12.997 2.074 -4.915 1.00 25.00 N ATOM 0 H LYS B 29 11.113 6.910 -7.064 1.00 25.00 H new ATOM 0 HA LYS B 29 12.063 7.425 -4.316 1.00 25.00 H new ATOM 0 HB2 LYS B 29 12.022 5.107 -3.744 1.00 25.00 H new ATOM 0 HB3 LYS B 29 10.396 5.719 -3.974 1.00 25.00 H new ATOM 0 HG2 LYS B 29 10.218 4.616 -6.154 1.00 25.00 H new ATOM 0 HG3 LYS B 29 11.906 4.144 -6.106 1.00 25.00 H new ATOM 0 HD2 LYS B 29 9.829 3.208 -4.078 1.00 25.00 H new ATOM 0 HD3 LYS B 29 10.263 2.301 -5.514 1.00 25.00 H new ATOM 0 HE2 LYS B 29 12.144 3.045 -3.220 1.00 25.00 H new ATOM 0 HE3 LYS B 29 11.492 1.451 -3.541 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 13.412 1.158 -4.650 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 12.676 2.036 -5.904 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 13.713 2.821 -4.812 1.00 25.00 H new ATOM 780 N THR B 30 14.264 6.352 -5.245 1.00 25.00 N ATOM 781 CA THR B 30 15.540 6.031 -5.876 1.00 25.00 C ATOM 782 C THR B 30 15.869 4.543 -5.762 1.00 25.00 C ATOM 783 O THR B 30 15.275 3.773 -5.031 1.00 25.00 O ATOM 784 CB THR B 30 16.616 6.891 -5.208 1.00 25.00 C ATOM 785 OG1 THR B 30 16.408 6.820 -3.804 1.00 25.00 O ATOM 786 CG2 THR B 30 16.418 8.359 -5.630 1.00 25.00 C ATOM 787 OXT THR B 30 16.750 4.128 -6.626 1.00 25.00 O ATOM 0 H THR B 30 14.328 6.521 -4.241 1.00 25.00 H new ATOM 0 HA THR B 30 15.491 6.248 -6.943 1.00 25.00 H new ATOM 0 HB THR B 30 17.610 6.544 -5.490 1.00 25.00 H new ATOM 0 HG1 THR B 30 17.084 7.361 -3.345 1.00 25.00 H new ATOM 0 HG21 THR B 30 17.180 8.979 -5.159 1.00 25.00 H new ATOM 0 HG22 THR B 30 16.503 8.441 -6.714 1.00 25.00 H new ATOM 0 HG23 THR B 30 15.430 8.698 -5.317 1.00 25.00 H new TER 796 THR B 30