USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=13 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 Single : A 1 GLY N :NH3+ -167:sc= 0.315 (180deg=0.278) USER MOD Single : A 5 GLN : amide:sc= -0.0446 K(o=-0.045,f=-1) USER MOD Single : A 8 THR OG1 : rot -43:sc= 0.0155 USER MOD Single : A 9 SER OG : rot 180:sc= 0.164 USER MOD Single : A 12 SER OG : rot -170:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0646 X(o=-0.065,f=-0.1) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 20:sc= -0.19 USER MOD Single : A 21 ASN : amide:sc= 0.376 K(o=0.38,f=-0.62) USER MOD Single : B 1 PHE N :NH3+ -113:sc= 0.0733 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.021 K(o=-0.021,f=-1) USER MOD Single : B 4 GLN : amide:sc=-0.00377 X(o=-0.0038,f=-0.15) USER MOD Single : B 5 HIS : no HD1:sc= -2.52 K(o=-2.5,f=-7.9!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) 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 48:sc= 0.614 USER MOD Single : B 29 LYS NZ :NH3+ 165:sc= -0.06 (180deg=-0.404) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.046 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.801 -1.631 -0.965 1.00 25.00 N ATOM 2 CA GLY A 1 1.627 -0.170 -1.251 1.00 25.00 C ATOM 3 C GLY A 1 1.097 0.069 -2.645 1.00 25.00 C ATOM 4 O GLY A 1 1.105 -0.847 -3.451 1.00 25.00 O ATOM 0 H1 GLY A 1 1.951 -1.770 0.055 1.00 25.00 H new ATOM 0 H2 GLY A 1 0.948 -2.147 -1.263 1.00 25.00 H new ATOM 0 H3 GLY A 1 2.624 -1.992 -1.488 1.00 25.00 H new ATOM 0 HA2 GLY A 1 0.942 0.264 -0.522 1.00 25.00 H new ATOM 0 HA3 GLY A 1 2.583 0.340 -1.133 1.00 25.00 H new ATOM 10 N ILE A 2 0.628 1.275 -2.947 1.00 25.00 N ATOM 11 CA ILE A 2 0.023 1.555 -4.258 1.00 25.00 C ATOM 12 C ILE A 2 1.024 1.433 -5.425 1.00 25.00 C ATOM 13 O ILE A 2 0.706 0.851 -6.453 1.00 25.00 O ATOM 14 CB ILE A 2 -0.691 2.951 -4.254 1.00 25.00 C ATOM 15 CG1 ILE A 2 -1.591 3.068 -5.496 1.00 25.00 C ATOM 16 CG2 ILE A 2 0.330 4.130 -4.129 1.00 25.00 C ATOM 17 CD1 ILE A 2 -2.417 4.343 -5.565 1.00 25.00 C ATOM 0 H ILE A 2 0.651 2.073 -2.312 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.728 0.784 -4.428 1.00 25.00 H new ATOM 0 HB ILE A 2 -1.324 3.025 -3.370 1.00 25.00 H new ATOM 0 HG12 ILE A 2 -0.967 3.007 -6.387 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -2.266 2.212 -5.521 1.00 25.00 H new ATOM 0 HG21 ILE A 2 -0.207 5.078 -4.130 1.00 25.00 H new ATOM 0 HG22 ILE A 2 0.888 4.031 -3.198 1.00 25.00 H new ATOM 0 HG23 ILE A 2 1.021 4.104 -4.971 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -3.019 4.338 -6.473 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -3.072 4.400 -4.696 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -1.752 5.207 -5.576 1.00 25.00 H new ATOM 29 N VAL A 3 2.247 1.916 -5.247 1.00 25.00 N ATOM 30 CA VAL A 3 3.251 1.829 -6.309 1.00 25.00 C ATOM 31 C VAL A 3 3.642 0.374 -6.542 1.00 25.00 C ATOM 32 O VAL A 3 3.883 -0.041 -7.662 1.00 25.00 O ATOM 33 CB VAL A 3 4.486 2.743 -5.999 1.00 25.00 C ATOM 34 CG1 VAL A 3 5.226 2.289 -4.725 1.00 25.00 C ATOM 35 CG2 VAL A 3 5.439 2.796 -7.195 1.00 25.00 C ATOM 0 H VAL A 3 2.569 2.367 -4.391 1.00 25.00 H new ATOM 0 HA VAL A 3 2.819 2.205 -7.237 1.00 25.00 H new ATOM 0 HB VAL A 3 4.110 3.750 -5.816 1.00 25.00 H new ATOM 0 HG11 VAL A 3 6.076 2.947 -4.544 1.00 25.00 H new ATOM 0 HG12 VAL A 3 4.546 2.332 -3.874 1.00 25.00 H new ATOM 0 HG13 VAL A 3 5.580 1.266 -4.855 1.00 25.00 H new ATOM 0 HG21 VAL A 3 6.288 3.436 -6.956 1.00 25.00 H new ATOM 0 HG22 VAL A 3 5.795 1.791 -7.421 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.914 3.199 -8.061 1.00 25.00 H new ATOM 45 N GLU A 4 3.618 -0.421 -5.484 1.00 25.00 N ATOM 46 CA GLU A 4 3.931 -1.839 -5.590 1.00 25.00 C ATOM 47 C GLU A 4 2.893 -2.524 -6.470 1.00 25.00 C ATOM 48 O GLU A 4 3.242 -3.283 -7.365 1.00 25.00 O ATOM 49 CB GLU A 4 3.932 -2.448 -4.188 1.00 25.00 C ATOM 50 CG GLU A 4 4.370 -3.896 -4.083 1.00 25.00 C ATOM 51 CD GLU A 4 4.184 -4.431 -2.693 1.00 25.00 C ATOM 52 OE1 GLU A 4 3.641 -3.795 -1.808 1.00 25.00 O ATOM 53 OE2 GLU A 4 4.639 -5.629 -2.525 1.00 25.00 O ATOM 0 H GLU A 4 3.385 -0.109 -4.541 1.00 25.00 H new ATOM 0 HA GLU A 4 4.913 -1.977 -6.042 1.00 25.00 H new ATOM 0 HB2 GLU A 4 4.584 -1.847 -3.555 1.00 25.00 H new ATOM 0 HB3 GLU A 4 2.925 -2.365 -3.779 1.00 25.00 H new ATOM 0 HG2 GLU A 4 3.798 -4.501 -4.786 1.00 25.00 H new ATOM 0 HG3 GLU A 4 5.418 -3.981 -4.369 1.00 25.00 H new ATOM 61 N GLN A 5 1.621 -2.224 -6.234 1.00 25.00 N ATOM 62 CA GLN A 5 0.543 -2.808 -7.028 1.00 25.00 C ATOM 63 C GLN A 5 0.612 -2.345 -8.474 1.00 25.00 C ATOM 64 O GLN A 5 0.389 -3.125 -9.376 1.00 25.00 O ATOM 65 CB GLN A 5 -0.825 -2.431 -6.449 1.00 25.00 C ATOM 66 CG GLN A 5 -1.217 -3.220 -5.195 1.00 25.00 C ATOM 67 CD GLN A 5 -1.498 -4.695 -5.482 1.00 25.00 C ATOM 68 OE1 GLN A 5 -1.574 -5.121 -6.621 1.00 25.00 O ATOM 69 NE2 GLN A 5 -1.649 -5.470 -4.441 1.00 25.00 N ATOM 0 H GLN A 5 1.310 -1.583 -5.504 1.00 25.00 H new ATOM 0 HA GLN A 5 0.667 -3.890 -6.994 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -0.825 -1.368 -6.210 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -1.586 -2.586 -7.214 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -0.416 -3.145 -4.460 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -2.103 -2.767 -4.749 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -1.579 -5.081 -3.501 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -1.837 -6.464 -4.568 1.00 25.00 H new ATOM 78 N CYS A 6 0.940 -1.084 -8.700 1.00 25.00 N ATOM 79 CA CYS A 6 1.001 -0.571 -10.065 1.00 25.00 C ATOM 80 C CYS A 6 2.173 -1.145 -10.852 1.00 25.00 C ATOM 81 O CYS A 6 2.061 -1.378 -12.056 1.00 25.00 O ATOM 82 CB CYS A 6 1.068 0.952 -10.057 1.00 25.00 C ATOM 83 SG CYS A 6 -0.592 1.669 -9.849 1.00 25.00 S ATOM 0 H CYS A 6 1.165 -0.405 -7.973 1.00 25.00 H new ATOM 0 HA CYS A 6 0.088 -0.892 -10.567 1.00 25.00 H new ATOM 0 HB2 CYS A 6 1.718 1.288 -9.249 1.00 25.00 H new ATOM 0 HB3 CYS A 6 1.508 1.306 -10.989 1.00 25.00 H new ATOM 88 N CYS A 7 3.287 -1.392 -10.178 1.00 25.00 N ATOM 89 CA CYS A 7 4.453 -1.964 -10.835 1.00 25.00 C ATOM 90 C CYS A 7 4.271 -3.455 -11.127 1.00 25.00 C ATOM 91 O CYS A 7 4.577 -3.910 -12.226 1.00 25.00 O ATOM 92 CB CYS A 7 5.701 -1.764 -9.969 1.00 25.00 C ATOM 93 SG CYS A 7 6.209 -0.017 -9.828 1.00 25.00 S ATOM 0 H CYS A 7 3.408 -1.207 -9.182 1.00 25.00 H new ATOM 0 HA CYS A 7 4.574 -1.445 -11.786 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.511 -2.161 -8.972 1.00 25.00 H new ATOM 0 HB3 CYS A 7 6.524 -2.342 -10.391 1.00 25.00 H new ATOM 98 N THR A 8 3.819 -4.225 -10.142 1.00 25.00 N ATOM 99 CA THR A 8 3.733 -5.684 -10.300 1.00 25.00 C ATOM 100 C THR A 8 2.414 -6.163 -10.905 1.00 25.00 C ATOM 101 O THR A 8 2.325 -7.280 -11.409 1.00 25.00 O ATOM 102 CB THR A 8 3.972 -6.418 -8.943 1.00 25.00 C ATOM 103 OG1 THR A 8 4.371 -7.766 -9.197 1.00 25.00 O ATOM 104 CG2 THR A 8 2.720 -6.456 -8.065 1.00 25.00 C ATOM 0 H THR A 8 3.509 -3.875 -9.235 1.00 25.00 H new ATOM 0 HA THR A 8 4.524 -5.938 -11.005 1.00 25.00 H new ATOM 0 HB THR A 8 4.746 -5.861 -8.414 1.00 25.00 H new ATOM 0 HG1 THR A 8 3.816 -8.142 -9.912 1.00 25.00 H new ATOM 0 HG21 THR A 8 2.944 -6.978 -7.135 1.00 25.00 H new ATOM 0 HG22 THR A 8 2.401 -5.438 -7.842 1.00 25.00 H new ATOM 0 HG23 THR A 8 1.922 -6.979 -8.592 1.00 25.00 H new ATOM 112 N SER A 9 1.386 -5.330 -10.849 1.00 25.00 N ATOM 113 CA SER A 9 0.068 -5.705 -11.340 1.00 25.00 C ATOM 114 C SER A 9 -0.541 -4.519 -12.072 1.00 25.00 C ATOM 115 O SER A 9 0.163 -3.589 -12.437 1.00 25.00 O ATOM 116 CB SER A 9 -0.829 -6.170 -10.186 1.00 25.00 C ATOM 117 OG SER A 9 -1.984 -6.840 -10.674 1.00 25.00 O ATOM 0 H SER A 9 1.439 -4.386 -10.467 1.00 25.00 H new ATOM 0 HA SER A 9 0.159 -6.541 -12.033 1.00 25.00 H new ATOM 0 HB2 SER A 9 -0.268 -6.836 -9.531 1.00 25.00 H new ATOM 0 HB3 SER A 9 -1.129 -5.311 -9.586 1.00 25.00 H new ATOM 0 HG SER A 9 -2.539 -7.128 -9.919 1.00 25.00 H new ATOM 123 N ILE A 10 -1.786 -4.644 -12.488 1.00 25.00 N ATOM 124 CA ILE A 10 -2.365 -3.684 -13.422 1.00 25.00 C ATOM 125 C ILE A 10 -2.696 -2.366 -12.733 1.00 25.00 C ATOM 126 O ILE A 10 -3.564 -2.292 -11.862 1.00 25.00 O ATOM 127 CB ILE A 10 -3.630 -4.274 -14.105 1.00 25.00 C ATOM 128 CG1 ILE A 10 -3.262 -5.538 -14.922 1.00 25.00 C ATOM 129 CG2 ILE A 10 -4.329 -3.214 -14.985 1.00 25.00 C ATOM 130 CD1 ILE A 10 -2.323 -5.308 -16.117 1.00 25.00 C ATOM 0 H ILE A 10 -2.416 -5.393 -12.200 1.00 25.00 H new ATOM 0 HA ILE A 10 -1.619 -3.481 -14.190 1.00 25.00 H new ATOM 0 HB ILE A 10 -4.337 -4.569 -13.329 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -2.796 -6.259 -14.251 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -4.183 -5.992 -15.289 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -5.211 -3.653 -15.451 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -4.628 -2.368 -14.367 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -3.641 -2.873 -15.759 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -2.131 -6.257 -16.617 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -2.789 -4.616 -16.818 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -1.381 -4.887 -15.764 1.00 25.00 H new ATOM 142 N CYS A 11 -2.026 -1.313 -13.175 1.00 25.00 N ATOM 143 CA CYS A 11 -2.299 0.029 -12.694 1.00 25.00 C ATOM 144 C CYS A 11 -3.417 0.588 -13.570 1.00 25.00 C ATOM 145 O CYS A 11 -3.174 1.262 -14.573 1.00 25.00 O ATOM 146 CB CYS A 11 -1.045 0.891 -12.783 1.00 25.00 C ATOM 147 SG CYS A 11 -1.056 2.362 -11.703 1.00 25.00 S ATOM 0 H CYS A 11 -1.283 -1.365 -13.872 1.00 25.00 H new ATOM 0 HA CYS A 11 -2.601 0.021 -11.647 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -0.180 0.278 -12.531 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -0.916 1.215 -13.815 1.00 25.00 H new ATOM 152 N SER A 12 -4.643 0.227 -13.234 1.00 25.00 N ATOM 153 CA SER A 12 -5.807 0.656 -13.998 1.00 25.00 C ATOM 154 C SER A 12 -6.013 2.148 -13.780 1.00 25.00 C ATOM 155 O SER A 12 -5.415 2.734 -12.882 1.00 25.00 O ATOM 156 CB SER A 12 -7.036 -0.119 -13.531 1.00 25.00 C ATOM 157 OG SER A 12 -7.258 0.099 -12.146 1.00 25.00 O ATOM 0 H SER A 12 -4.861 -0.365 -12.433 1.00 25.00 H new ATOM 0 HA SER A 12 -5.653 0.462 -15.059 1.00 25.00 H new ATOM 0 HB2 SER A 12 -7.911 0.195 -14.100 1.00 25.00 H new ATOM 0 HB3 SER A 12 -6.897 -1.183 -13.721 1.00 25.00 H new ATOM 0 HG SER A 12 -7.946 -0.520 -11.824 1.00 25.00 H new ATOM 163 N LEU A 13 -6.891 2.758 -14.562 1.00 25.00 N ATOM 164 CA LEU A 13 -7.171 4.190 -14.420 1.00 25.00 C ATOM 165 C LEU A 13 -7.646 4.533 -13.005 1.00 25.00 C ATOM 166 O LEU A 13 -7.394 5.617 -12.513 1.00 25.00 O ATOM 167 CB LEU A 13 -8.199 4.642 -15.470 1.00 25.00 C ATOM 168 CG LEU A 13 -9.649 4.154 -15.303 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.507 5.222 -14.624 1.00 25.00 C ATOM 170 CD2 LEU A 13 -10.245 3.801 -16.660 1.00 25.00 C ATOM 0 H LEU A 13 -7.422 2.293 -15.298 1.00 25.00 H new ATOM 0 HA LEU A 13 -6.241 4.732 -14.590 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -8.210 5.732 -15.482 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.845 4.316 -16.448 1.00 25.00 H new ATOM 0 HG LEU A 13 -9.637 3.264 -14.673 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.528 4.855 -14.517 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -10.097 5.447 -13.639 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -10.509 6.127 -15.231 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -11.271 3.457 -16.528 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -10.237 4.682 -17.301 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.654 3.011 -17.122 1.00 25.00 H new ATOM 182 N TYR A 14 -8.282 3.582 -12.336 1.00 25.00 N ATOM 183 CA TYR A 14 -8.767 3.788 -10.977 1.00 25.00 C ATOM 184 C TYR A 14 -7.609 3.884 -9.989 1.00 25.00 C ATOM 185 O TYR A 14 -7.623 4.694 -9.073 1.00 25.00 O ATOM 186 CB TYR A 14 -9.674 2.626 -10.585 1.00 25.00 C ATOM 187 CG TYR A 14 -10.672 2.276 -11.664 1.00 25.00 C ATOM 188 CD1 TYR A 14 -11.768 3.118 -11.941 1.00 25.00 C ATOM 189 CD2 TYR A 14 -10.517 1.101 -12.429 1.00 25.00 C ATOM 190 CE1 TYR A 14 -12.690 2.795 -12.975 1.00 25.00 C ATOM 191 CE2 TYR A 14 -11.436 0.777 -13.463 1.00 25.00 C ATOM 192 CZ TYR A 14 -12.511 1.633 -13.727 1.00 25.00 C ATOM 193 OH TYR A 14 -13.398 1.333 -14.729 1.00 25.00 O ATOM 0 H TYR A 14 -8.475 2.655 -12.714 1.00 25.00 H new ATOM 0 HA TYR A 14 -9.322 4.726 -10.946 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -9.062 1.751 -10.364 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -10.209 2.880 -9.670 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -11.909 4.018 -11.362 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -9.688 0.439 -12.226 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.526 3.447 -13.178 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -11.306 -0.125 -14.042 1.00 25.00 H new ATOM 0 HH TYR A 14 -13.134 0.492 -15.158 1.00 25.00 H new ATOM 203 N GLN A 15 -6.582 3.076 -10.203 1.00 25.00 N ATOM 204 CA GLN A 15 -5.390 3.115 -9.359 1.00 25.00 C ATOM 205 C GLN A 15 -4.650 4.420 -9.625 1.00 25.00 C ATOM 206 O GLN A 15 -4.187 5.082 -8.708 1.00 25.00 O ATOM 207 CB GLN A 15 -4.475 1.925 -9.668 1.00 25.00 C ATOM 208 CG GLN A 15 -5.084 0.568 -9.313 1.00 25.00 C ATOM 209 CD GLN A 15 -5.257 0.393 -7.816 1.00 25.00 C ATOM 210 OE1 GLN A 15 -4.327 0.572 -7.048 1.00 25.00 O ATOM 211 NE2 GLN A 15 -6.450 0.055 -7.398 1.00 25.00 N ATOM 0 H GLN A 15 -6.547 2.385 -10.952 1.00 25.00 H new ATOM 0 HA GLN A 15 -5.683 3.056 -8.311 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -4.228 1.935 -10.730 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -3.540 2.047 -9.122 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -6.052 0.466 -9.803 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -4.446 -0.227 -9.699 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -7.205 -0.086 -8.070 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -6.625 -0.067 -6.401 1.00 25.00 H new ATOM 220 N LEU A 16 -4.582 4.797 -10.894 1.00 25.00 N ATOM 221 CA LEU A 16 -3.916 6.030 -11.313 1.00 25.00 C ATOM 222 C LEU A 16 -4.594 7.275 -10.730 1.00 25.00 C ATOM 223 O LEU A 16 -3.919 8.219 -10.349 1.00 25.00 O ATOM 224 CB LEU A 16 -3.863 6.097 -12.841 1.00 25.00 C ATOM 225 CG LEU A 16 -2.873 5.100 -13.473 1.00 25.00 C ATOM 226 CD1 LEU A 16 -3.147 4.886 -14.950 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.436 5.584 -13.306 1.00 25.00 C ATOM 0 H LEU A 16 -4.985 4.261 -11.663 1.00 25.00 H new ATOM 0 HA LEU A 16 -2.899 6.015 -10.922 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -4.860 5.906 -13.239 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.588 7.108 -13.142 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.010 4.153 -12.951 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.426 4.176 -15.355 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.155 4.493 -15.080 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -3.057 5.835 -15.478 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.755 4.864 -13.760 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.319 6.552 -13.794 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -1.206 5.682 -12.245 1.00 25.00 H new ATOM 239 N GLU A 17 -5.917 7.260 -10.621 1.00 25.00 N ATOM 240 CA GLU A 17 -6.664 8.389 -10.048 1.00 25.00 C ATOM 241 C GLU A 17 -6.225 8.732 -8.619 1.00 25.00 C ATOM 242 O GLU A 17 -6.299 9.879 -8.215 1.00 25.00 O ATOM 243 CB GLU A 17 -8.165 8.080 -10.029 1.00 25.00 C ATOM 244 CG GLU A 17 -8.864 8.282 -11.365 1.00 25.00 C ATOM 245 CD GLU A 17 -9.362 9.687 -11.547 1.00 25.00 C ATOM 246 OE1 GLU A 17 -8.650 10.657 -11.591 1.00 25.00 O ATOM 247 OE2 GLU A 17 -10.641 9.765 -11.649 1.00 25.00 O ATOM 0 H GLU A 17 -6.502 6.480 -10.921 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.451 9.247 -10.686 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.307 7.047 -9.711 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.645 8.713 -9.282 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -8.174 8.037 -12.173 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -9.703 7.590 -11.441 1.00 25.00 H new ATOM 255 N ASN A 18 -5.746 7.749 -7.871 1.00 25.00 N ATOM 256 CA ASN A 18 -5.298 7.983 -6.490 1.00 25.00 C ATOM 257 C ASN A 18 -3.996 8.792 -6.423 1.00 25.00 C ATOM 258 O ASN A 18 -3.722 9.451 -5.432 1.00 25.00 O ATOM 259 CB ASN A 18 -5.115 6.660 -5.753 1.00 25.00 C ATOM 260 CG ASN A 18 -6.425 6.020 -5.381 1.00 25.00 C ATOM 261 OD1 ASN A 18 -7.056 6.400 -4.417 1.00 25.00 O ATOM 262 ND2 ASN A 18 -6.832 5.041 -6.138 1.00 25.00 N ATOM 0 H ASN A 18 -5.654 6.784 -8.187 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.078 8.570 -6.005 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.545 5.975 -6.380 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -4.528 6.829 -4.850 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.710 4.565 -5.929 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -6.273 4.750 -6.940 1.00 25.00 H new ATOM 269 N TYR A 19 -3.176 8.706 -7.463 1.00 25.00 N ATOM 270 CA TYR A 19 -1.925 9.476 -7.529 1.00 25.00 C ATOM 271 C TYR A 19 -2.221 10.901 -8.010 1.00 25.00 C ATOM 272 O TYR A 19 -1.358 11.776 -8.012 1.00 25.00 O ATOM 273 CB TYR A 19 -0.994 8.883 -8.573 1.00 25.00 C ATOM 274 CG TYR A 19 -0.463 7.516 -8.279 1.00 25.00 C ATOM 275 CD1 TYR A 19 -1.174 6.371 -8.672 1.00 25.00 C ATOM 276 CD2 TYR A 19 0.775 7.353 -7.637 1.00 25.00 C ATOM 277 CE1 TYR A 19 -0.653 5.086 -8.448 1.00 25.00 C ATOM 278 CE2 TYR A 19 1.300 6.068 -7.407 1.00 25.00 C ATOM 279 CZ TYR A 19 0.585 4.946 -7.829 1.00 25.00 C ATOM 280 OH TYR A 19 1.087 3.696 -7.635 1.00 25.00 O ATOM 0 H TYR A 19 -3.348 8.113 -8.275 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.477 9.460 -6.535 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.524 8.848 -9.525 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.149 9.559 -8.703 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -2.135 6.480 -9.153 1.00 25.00 H new ATOM 0 HD2 TYR A 19 1.330 8.222 -7.317 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -1.210 4.213 -8.754 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.250 5.951 -6.907 1.00 25.00 H new ATOM 0 HH TYR A 19 0.644 3.067 -8.242 1.00 25.00 H new ATOM 290 N CYS A 20 -3.400 11.056 -8.591 1.00 25.00 N ATOM 291 CA CYS A 20 -3.741 12.239 -9.364 1.00 25.00 C ATOM 292 C CYS A 20 -4.264 13.399 -8.524 1.00 25.00 C ATOM 293 O CYS A 20 -4.790 13.234 -7.428 1.00 25.00 O ATOM 294 CB CYS A 20 -4.803 11.850 -10.396 1.00 25.00 C ATOM 295 SG CYS A 20 -4.235 12.004 -12.115 1.00 25.00 S ATOM 0 H CYS A 20 -4.148 10.364 -8.540 1.00 25.00 H new ATOM 0 HA CYS A 20 -2.822 12.591 -9.832 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -5.114 10.821 -10.215 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -5.683 12.478 -10.255 1.00 25.00 H new ATOM 300 N ASN A 21 -4.168 14.606 -9.090 1.00 25.00 N ATOM 301 CA ASN A 21 -4.732 15.817 -8.484 1.00 25.00 C ATOM 302 C ASN A 21 -6.271 15.781 -8.527 1.00 25.00 C ATOM 303 O ASN A 21 -6.953 16.265 -9.410 1.00 25.00 O ATOM 304 CB ASN A 21 -4.162 17.074 -9.181 1.00 25.00 C ATOM 305 CG ASN A 21 -4.663 18.329 -8.538 1.00 25.00 C ATOM 306 OD1 ASN A 21 -4.983 18.402 -7.378 1.00 25.00 O ATOM 307 ND2 ASN A 21 -4.725 19.393 -9.326 1.00 25.00 N ATOM 308 OXT ASN A 21 -6.797 15.067 -7.575 1.00 25.00 O ATOM 0 H ASN A 21 -3.698 14.771 -9.980 1.00 25.00 H new ATOM 0 HA ASN A 21 -4.442 15.859 -7.434 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -3.073 17.052 -9.140 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -4.442 17.066 -10.234 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -5.046 20.286 -8.953 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -4.451 19.319 -10.306 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -9.399 2.864 -22.242 1.00 25.00 N ATOM 318 CA PHE B 1 -8.138 2.660 -21.474 1.00 25.00 C ATOM 319 C PHE B 1 -7.579 1.279 -21.760 1.00 25.00 C ATOM 320 O PHE B 1 -8.343 0.384 -22.076 1.00 25.00 O ATOM 321 CB PHE B 1 -8.418 2.818 -19.974 1.00 25.00 C ATOM 322 CG PHE B 1 -7.175 2.848 -19.122 1.00 25.00 C ATOM 323 CD1 PHE B 1 -6.435 4.037 -18.984 1.00 25.00 C ATOM 324 CD2 PHE B 1 -6.733 1.686 -18.456 1.00 25.00 C ATOM 325 CE1 PHE B 1 -5.254 4.070 -18.199 1.00 25.00 C ATOM 326 CE2 PHE B 1 -5.554 1.708 -17.670 1.00 25.00 C ATOM 327 CZ PHE B 1 -4.813 2.901 -17.548 1.00 25.00 C ATOM 0 H1 PHE B 1 -9.251 3.598 -22.963 1.00 25.00 H new ATOM 0 H2 PHE B 1 -9.671 1.974 -22.705 1.00 25.00 H new ATOM 0 H3 PHE B 1 -10.156 3.163 -21.594 1.00 25.00 H new ATOM 0 HA PHE B 1 -7.404 3.406 -21.779 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -8.979 3.739 -19.814 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -9.053 1.996 -19.644 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -6.770 4.935 -19.482 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -7.299 0.770 -18.546 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -4.695 4.989 -18.101 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -5.224 0.812 -17.165 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.909 2.919 -16.957 1.00 25.00 H new ATOM 339 N VAL B 2 -6.265 1.105 -21.672 1.00 25.00 N ATOM 340 CA VAL B 2 -5.633 -0.195 -21.925 1.00 25.00 C ATOM 341 C VAL B 2 -4.923 -0.611 -20.646 1.00 25.00 C ATOM 342 O VAL B 2 -4.181 0.179 -20.070 1.00 25.00 O ATOM 343 CB VAL B 2 -4.600 -0.109 -23.093 1.00 25.00 C ATOM 344 CG1 VAL B 2 -3.935 -1.472 -23.343 1.00 25.00 C ATOM 345 CG2 VAL B 2 -5.290 0.371 -24.382 1.00 25.00 C ATOM 0 H VAL B 2 -5.610 1.848 -21.427 1.00 25.00 H new ATOM 0 HA VAL B 2 -6.392 -0.922 -22.214 1.00 25.00 H new ATOM 0 HB VAL B 2 -3.830 0.607 -22.806 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -3.220 -1.384 -24.161 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -3.415 -1.794 -22.441 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -4.697 -2.206 -23.605 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -4.558 0.426 -25.188 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -6.078 -0.330 -24.655 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -5.723 1.358 -24.217 1.00 25.00 H new ATOM 355 N ASN B 3 -5.175 -1.829 -20.186 1.00 25.00 N ATOM 356 CA ASN B 3 -4.558 -2.325 -18.957 1.00 25.00 C ATOM 357 C ASN B 3 -3.095 -2.636 -19.180 1.00 25.00 C ATOM 358 O ASN B 3 -2.745 -3.314 -20.138 1.00 25.00 O ATOM 359 CB ASN B 3 -5.232 -3.613 -18.502 1.00 25.00 C ATOM 360 CG ASN B 3 -6.601 -3.375 -17.917 1.00 25.00 C ATOM 361 OD1 ASN B 3 -6.854 -2.348 -17.305 1.00 25.00 O ATOM 362 ND2 ASN B 3 -7.491 -4.310 -18.108 1.00 25.00 N ATOM 0 H ASN B 3 -5.801 -2.493 -20.642 1.00 25.00 H new ATOM 0 HA ASN B 3 -4.671 -1.546 -18.203 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -5.316 -4.294 -19.349 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -4.604 -4.105 -17.759 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -8.436 -4.197 -17.741 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -7.242 -5.154 -18.624 1.00 25.00 H new ATOM 369 N GLN B 4 -2.246 -2.175 -18.274 1.00 25.00 N ATOM 370 CA GLN B 4 -0.826 -2.422 -18.361 1.00 25.00 C ATOM 371 C GLN B 4 -0.202 -2.210 -16.990 1.00 25.00 C ATOM 372 O GLN B 4 -0.662 -1.395 -16.188 1.00 25.00 O ATOM 373 CB GLN B 4 -0.176 -1.486 -19.397 1.00 25.00 C ATOM 374 CG GLN B 4 -0.727 -0.060 -19.384 1.00 25.00 C ATOM 375 CD GLN B 4 -0.173 0.789 -20.504 1.00 25.00 C ATOM 376 OE1 GLN B 4 1.031 0.889 -20.698 1.00 25.00 O ATOM 377 NE2 GLN B 4 -1.052 1.398 -21.254 1.00 25.00 N ATOM 0 H GLN B 4 -2.526 -1.622 -17.464 1.00 25.00 H new ATOM 0 HA GLN B 4 -0.657 -3.449 -18.684 1.00 25.00 H new ATOM 0 HB2 GLN B 4 0.898 -1.450 -19.215 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -0.317 -1.909 -20.392 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -1.814 -0.094 -19.463 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -0.491 0.408 -18.428 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -2.048 1.291 -21.062 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -0.742 1.981 -22.032 1.00 25.00 H new ATOM 386 N HIS B 5 0.852 -2.958 -16.745 1.00 25.00 N ATOM 387 CA HIS B 5 1.691 -2.778 -15.550 1.00 25.00 C ATOM 388 C HIS B 5 2.533 -1.511 -15.741 1.00 25.00 C ATOM 389 O HIS B 5 3.210 -1.378 -16.759 1.00 25.00 O ATOM 390 CB HIS B 5 2.630 -3.978 -15.363 1.00 25.00 C ATOM 391 CG HIS B 5 1.917 -5.291 -15.272 1.00 25.00 C ATOM 392 ND1 HIS B 5 0.878 -5.532 -14.398 1.00 25.00 N ATOM 393 CD2 HIS B 5 2.083 -6.464 -15.929 1.00 25.00 C ATOM 394 CE1 HIS B 5 0.466 -6.786 -14.540 1.00 25.00 C ATOM 395 NE2 HIS B 5 1.180 -7.361 -15.458 1.00 25.00 N ATOM 0 H HIS B 5 1.162 -3.711 -17.359 1.00 25.00 H new ATOM 0 HA HIS B 5 1.053 -2.694 -14.670 1.00 25.00 H new ATOM 0 HB2 HIS B 5 3.332 -4.013 -16.196 1.00 25.00 H new ATOM 0 HB3 HIS B 5 3.218 -3.830 -14.457 1.00 25.00 H new ATOM 0 HD2 HIS B 5 2.814 -6.654 -16.701 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -0.333 -7.252 -13.982 1.00 25.00 H new ATOM 0 HE2 HIS B 5 1.079 -8.326 -15.773 1.00 25.00 H new ATOM 404 N LEU B 6 2.462 -0.578 -14.802 1.00 25.00 N ATOM 405 CA LEU B 6 3.148 0.705 -14.911 1.00 25.00 C ATOM 406 C LEU B 6 4.090 0.965 -13.747 1.00 25.00 C ATOM 407 O LEU B 6 3.670 1.093 -12.604 1.00 25.00 O ATOM 408 CB LEU B 6 2.097 1.810 -14.925 1.00 25.00 C ATOM 409 CG LEU B 6 1.519 2.317 -16.252 1.00 25.00 C ATOM 410 CD1 LEU B 6 1.891 1.516 -17.495 1.00 25.00 C ATOM 411 CD2 LEU B 6 0.001 2.402 -16.151 1.00 25.00 C ATOM 0 H LEU B 6 1.926 -0.688 -13.941 1.00 25.00 H new ATOM 0 HA LEU B 6 3.741 0.687 -15.825 1.00 25.00 H new ATOM 0 HB2 LEU B 6 1.259 1.465 -14.320 1.00 25.00 H new ATOM 0 HB3 LEU B 6 2.527 2.670 -14.412 1.00 25.00 H new ATOM 0 HG LEU B 6 1.978 3.295 -16.394 1.00 25.00 H new ATOM 0 HD11 LEU B 6 1.426 1.967 -18.371 1.00 25.00 H new ATOM 0 HD12 LEU B 6 2.974 1.517 -17.618 1.00 25.00 H new ATOM 0 HD13 LEU B 6 1.539 0.490 -17.385 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -0.407 2.763 -17.095 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -0.405 1.414 -15.934 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -0.272 3.090 -15.351 1.00 25.00 H new ATOM 423 N CYS B 7 5.367 1.104 -14.066 1.00 25.00 N ATOM 424 CA CYS B 7 6.386 1.408 -13.070 1.00 25.00 C ATOM 425 C CYS B 7 7.340 2.439 -13.664 1.00 25.00 C ATOM 426 O CYS B 7 7.424 2.570 -14.890 1.00 25.00 O ATOM 427 CB CYS B 7 7.147 0.131 -12.711 1.00 25.00 C ATOM 428 SG CYS B 7 7.842 0.130 -11.027 1.00 25.00 S ATOM 0 H CYS B 7 5.726 1.010 -15.016 1.00 25.00 H new ATOM 0 HA CYS B 7 5.928 1.805 -12.164 1.00 25.00 H new ATOM 0 HB2 CYS B 7 6.476 -0.721 -12.816 1.00 25.00 H new ATOM 0 HB3 CYS B 7 7.957 -0.011 -13.427 1.00 25.00 H new ATOM 433 N GLY B 8 8.064 3.156 -12.818 1.00 25.00 N ATOM 434 CA GLY B 8 9.030 4.131 -13.302 1.00 25.00 C ATOM 435 C GLY B 8 8.396 5.205 -14.170 1.00 25.00 C ATOM 436 O GLY B 8 7.299 5.680 -13.894 1.00 25.00 O ATOM 0 H GLY B 8 8.003 3.083 -11.802 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.522 4.602 -12.451 1.00 25.00 H new ATOM 0 HA3 GLY B 8 9.803 3.617 -13.874 1.00 25.00 H new ATOM 440 N SER B 9 9.074 5.557 -15.253 1.00 25.00 N ATOM 441 CA SER B 9 8.589 6.586 -16.173 1.00 25.00 C ATOM 442 C SER B 9 7.246 6.233 -16.809 1.00 25.00 C ATOM 443 O SER B 9 6.464 7.117 -17.126 1.00 25.00 O ATOM 444 CB SER B 9 9.625 6.802 -17.275 1.00 25.00 C ATOM 445 OG SER B 9 9.922 5.572 -17.919 1.00 25.00 O ATOM 0 H SER B 9 9.968 5.144 -15.521 1.00 25.00 H new ATOM 0 HA SER B 9 8.440 7.495 -15.590 1.00 25.00 H new ATOM 0 HB2 SER B 9 9.247 7.520 -18.003 1.00 25.00 H new ATOM 0 HB3 SER B 9 10.534 7.227 -16.850 1.00 25.00 H new ATOM 0 HG SER B 9 10.586 5.724 -18.624 1.00 25.00 H new ATOM 451 N HIS B 10 6.950 4.950 -16.974 1.00 25.00 N ATOM 452 CA HIS B 10 5.663 4.554 -17.558 1.00 25.00 C ATOM 453 C HIS B 10 4.510 4.998 -16.670 1.00 25.00 C ATOM 454 O HIS B 10 3.460 5.383 -17.168 1.00 25.00 O ATOM 455 CB HIS B 10 5.573 3.041 -17.749 1.00 25.00 C ATOM 456 CG HIS B 10 6.278 2.540 -18.970 1.00 25.00 C ATOM 457 ND1 HIS B 10 5.618 1.891 -20.018 1.00 25.00 N ATOM 458 CD2 HIS B 10 7.586 2.561 -19.346 1.00 25.00 C ATOM 459 CE1 HIS B 10 6.507 1.561 -20.943 1.00 25.00 C ATOM 460 NE2 HIS B 10 7.693 1.954 -20.559 1.00 25.00 N ATOM 0 H HIS B 10 7.564 4.177 -16.720 1.00 25.00 H new ATOM 0 HA HIS B 10 5.595 5.041 -18.531 1.00 25.00 H new ATOM 0 HB2 HIS B 10 5.992 2.549 -16.872 1.00 25.00 H new ATOM 0 HB3 HIS B 10 4.523 2.754 -17.804 1.00 25.00 H new ATOM 0 HD2 HIS B 10 8.400 2.987 -18.778 1.00 25.00 H new ATOM 0 HE1 HIS B 10 6.287 1.048 -21.868 1.00 25.00 H new ATOM 0 HE2 HIS B 10 8.558 1.826 -21.084 1.00 25.00 H new ATOM 469 N LEU B 11 4.711 4.953 -15.362 1.00 25.00 N ATOM 470 CA LEU B 11 3.675 5.356 -14.416 1.00 25.00 C ATOM 471 C LEU B 11 3.416 6.851 -14.555 1.00 25.00 C ATOM 472 O LEU B 11 2.277 7.293 -14.590 1.00 25.00 O ATOM 473 CB LEU B 11 4.120 5.009 -12.986 1.00 25.00 C ATOM 474 CG LEU B 11 3.122 5.254 -11.842 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.845 4.456 -12.018 1.00 25.00 C ATOM 476 CD2 LEU B 11 3.781 4.863 -10.524 1.00 25.00 C ATOM 0 H LEU B 11 5.581 4.642 -14.929 1.00 25.00 H new ATOM 0 HA LEU B 11 2.750 4.821 -14.629 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.396 3.955 -12.968 1.00 25.00 H new ATOM 0 HB3 LEU B 11 5.023 5.579 -12.769 1.00 25.00 H new ATOM 0 HG LEU B 11 2.854 6.311 -11.847 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.170 4.661 -11.187 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.364 4.740 -12.954 1.00 25.00 H new ATOM 0 HD13 LEU B 11 2.081 3.392 -12.040 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.083 5.032 -9.704 1.00 25.00 H new ATOM 0 HD22 LEU B 11 4.057 3.809 -10.554 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.675 5.468 -10.370 1.00 25.00 H new ATOM 488 N VAL B 12 4.489 7.616 -14.691 1.00 25.00 N ATOM 489 CA VAL B 12 4.391 9.067 -14.851 1.00 25.00 C ATOM 490 C VAL B 12 3.676 9.425 -16.155 1.00 25.00 C ATOM 491 O VAL B 12 2.787 10.267 -16.171 1.00 25.00 O ATOM 492 CB VAL B 12 5.815 9.707 -14.833 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.745 11.222 -15.007 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.531 9.367 -13.509 1.00 25.00 C ATOM 0 H VAL B 12 5.444 7.258 -14.694 1.00 25.00 H new ATOM 0 HA VAL B 12 3.809 9.463 -14.019 1.00 25.00 H new ATOM 0 HB VAL B 12 6.379 9.294 -15.669 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.753 11.637 -14.990 1.00 25.00 H new ATOM 0 HG12 VAL B 12 5.272 11.457 -15.960 1.00 25.00 H new ATOM 0 HG13 VAL B 12 5.161 11.655 -14.195 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.523 9.818 -13.506 1.00 25.00 H new ATOM 0 HG22 VAL B 12 5.952 9.757 -12.672 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.624 8.285 -13.413 1.00 25.00 H new ATOM 504 N GLU B 13 4.030 8.762 -17.248 1.00 25.00 N ATOM 505 CA GLU B 13 3.410 9.063 -18.540 1.00 25.00 C ATOM 506 C GLU B 13 1.925 8.718 -18.555 1.00 25.00 C ATOM 507 O GLU B 13 1.135 9.374 -19.228 1.00 25.00 O ATOM 508 CB GLU B 13 4.124 8.330 -19.678 1.00 25.00 C ATOM 509 CG GLU B 13 5.549 8.834 -19.929 1.00 25.00 C ATOM 510 CD GLU B 13 5.614 10.327 -20.099 1.00 25.00 C ATOM 511 OE1 GLU B 13 6.231 11.043 -19.364 1.00 25.00 O ATOM 512 OE2 GLU B 13 4.924 10.769 -21.103 1.00 25.00 O ATOM 0 H GLU B 13 4.732 8.022 -17.272 1.00 25.00 H new ATOM 0 HA GLU B 13 3.509 10.138 -18.692 1.00 25.00 H new ATOM 0 HB2 GLU B 13 4.159 7.265 -19.448 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.542 8.440 -20.593 1.00 25.00 H new ATOM 0 HG2 GLU B 13 6.187 8.539 -19.096 1.00 25.00 H new ATOM 0 HG3 GLU B 13 5.948 8.353 -20.822 1.00 25.00 H new ATOM 520 N ALA B 14 1.537 7.707 -17.794 1.00 25.00 N ATOM 521 CA ALA B 14 0.141 7.306 -17.720 1.00 25.00 C ATOM 522 C ALA B 14 -0.682 8.359 -16.980 1.00 25.00 C ATOM 523 O ALA B 14 -1.839 8.600 -17.310 1.00 25.00 O ATOM 524 CB ALA B 14 0.036 5.966 -17.014 1.00 25.00 C ATOM 0 H ALA B 14 2.169 7.149 -17.219 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.255 7.213 -18.731 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.010 5.665 -16.958 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.600 5.217 -17.570 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.443 6.053 -16.006 1.00 25.00 H new ATOM 530 N LEU B 15 -0.081 8.978 -15.976 1.00 25.00 N ATOM 531 CA LEU B 15 -0.781 9.962 -15.159 1.00 25.00 C ATOM 532 C LEU B 15 -1.165 11.212 -15.930 1.00 25.00 C ATOM 533 O LEU B 15 -2.202 11.802 -15.646 1.00 25.00 O ATOM 534 CB LEU B 15 0.067 10.336 -13.943 1.00 25.00 C ATOM 535 CG LEU B 15 0.110 9.256 -12.853 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.203 9.543 -11.825 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.236 9.169 -12.158 1.00 25.00 C ATOM 0 H LEU B 15 0.889 8.818 -15.706 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.711 9.494 -14.834 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.085 10.544 -14.273 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.323 11.258 -13.511 1.00 25.00 H new ATOM 0 HG LEU B 15 0.338 8.304 -13.333 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.205 8.759 -11.068 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.172 9.570 -12.323 1.00 25.00 H new ATOM 0 HD13 LEU B 15 1.012 10.505 -11.350 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.198 8.401 -11.386 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.473 10.130 -11.702 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -2.006 8.914 -12.886 1.00 25.00 H new ATOM 549 N TYR B 16 -0.400 11.572 -16.953 1.00 25.00 N ATOM 550 CA TYR B 16 -0.761 12.722 -17.792 1.00 25.00 C ATOM 551 C TYR B 16 -2.127 12.491 -18.424 1.00 25.00 C ATOM 552 O TYR B 16 -2.935 13.403 -18.522 1.00 25.00 O ATOM 553 CB TYR B 16 0.249 12.935 -18.924 1.00 25.00 C ATOM 554 CG TYR B 16 1.538 13.593 -18.502 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.630 14.997 -18.386 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.683 12.825 -18.232 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.850 15.617 -17.998 1.00 25.00 C ATOM 558 CE2 TYR B 16 3.905 13.440 -17.855 1.00 25.00 C ATOM 559 CZ TYR B 16 3.974 14.830 -17.740 1.00 25.00 C ATOM 560 OH TYR B 16 5.153 15.426 -17.377 1.00 25.00 O ATOM 0 H TYR B 16 0.461 11.098 -17.224 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.770 13.601 -17.148 1.00 25.00 H new ATOM 0 HB2 TYR B 16 0.480 11.969 -19.373 1.00 25.00 H new ATOM 0 HB3 TYR B 16 -0.217 13.544 -19.699 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.764 15.608 -18.594 1.00 25.00 H new ATOM 0 HD2 TYR B 16 2.632 11.749 -18.313 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.907 16.691 -17.903 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.778 12.836 -17.658 1.00 25.00 H new ATOM 0 HH TYR B 16 5.836 14.738 -17.233 1.00 25.00 H new ATOM 570 N LEU B 17 -2.385 11.265 -18.848 1.00 25.00 N ATOM 571 CA LEU B 17 -3.642 10.944 -19.512 1.00 25.00 C ATOM 572 C LEU B 17 -4.822 10.951 -18.555 1.00 25.00 C ATOM 573 O LEU B 17 -5.913 11.383 -18.899 1.00 25.00 O ATOM 574 CB LEU B 17 -3.574 9.552 -20.127 1.00 25.00 C ATOM 575 CG LEU B 17 -2.449 9.262 -21.133 1.00 25.00 C ATOM 576 CD1 LEU B 17 -2.440 7.761 -21.446 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.622 10.067 -22.420 1.00 25.00 C ATOM 0 H LEU B 17 -1.745 10.477 -18.746 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.787 11.712 -20.272 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.489 8.831 -19.314 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.525 9.360 -20.625 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.499 9.560 -20.689 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.645 7.543 -22.159 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -2.268 7.199 -20.528 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -3.400 7.473 -21.873 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.808 9.835 -23.106 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.573 9.809 -22.885 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.609 11.132 -22.188 1.00 25.00 H new ATOM 589 N VAL B 18 -4.609 10.402 -17.370 1.00 25.00 N ATOM 590 CA VAL B 18 -5.690 10.232 -16.398 1.00 25.00 C ATOM 591 C VAL B 18 -6.044 11.568 -15.769 1.00 25.00 C ATOM 592 O VAL B 18 -7.215 11.863 -15.518 1.00 25.00 O ATOM 593 CB VAL B 18 -5.283 9.196 -15.316 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.391 9.005 -14.264 1.00 25.00 C ATOM 595 CG2 VAL B 18 -4.985 7.857 -16.001 1.00 25.00 C ATOM 0 H VAL B 18 -3.700 10.065 -17.053 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.573 9.854 -16.913 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.398 9.567 -14.799 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -6.068 8.272 -13.524 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.591 9.956 -13.770 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.299 8.651 -14.752 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.698 7.120 -15.251 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.875 7.511 -16.527 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -4.170 7.986 -16.713 1.00 25.00 H new ATOM 605 N CYS B 19 -5.044 12.399 -15.536 1.00 25.00 N ATOM 606 CA CYS B 19 -5.305 13.706 -14.961 1.00 25.00 C ATOM 607 C CYS B 19 -5.733 14.721 -16.000 1.00 25.00 C ATOM 608 O CYS B 19 -6.455 15.669 -15.672 1.00 25.00 O ATOM 609 CB CYS B 19 -4.092 14.218 -14.203 1.00 25.00 C ATOM 610 SG CYS B 19 -4.301 14.003 -12.411 1.00 25.00 S ATOM 0 H CYS B 19 -4.063 12.199 -15.731 1.00 25.00 H new ATOM 0 HA CYS B 19 -6.134 13.579 -14.265 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.201 13.685 -14.535 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -3.936 15.273 -14.430 1.00 25.00 H new ATOM 615 N GLY B 20 -5.294 14.552 -17.240 1.00 25.00 N ATOM 616 CA GLY B 20 -5.590 15.545 -18.254 1.00 25.00 C ATOM 617 C GLY B 20 -5.033 16.893 -17.831 1.00 25.00 C ATOM 618 O GLY B 20 -3.918 16.998 -17.316 1.00 25.00 O ATOM 0 H GLY B 20 -4.744 13.755 -17.560 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -5.156 15.245 -19.208 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -6.667 15.617 -18.403 1.00 25.00 H new ATOM 622 N GLU B 21 -5.839 17.930 -18.002 1.00 25.00 N ATOM 623 CA GLU B 21 -5.446 19.299 -17.665 1.00 25.00 C ATOM 624 C GLU B 21 -5.275 19.562 -16.162 1.00 25.00 C ATOM 625 O GLU B 21 -4.783 20.617 -15.781 1.00 25.00 O ATOM 626 CB GLU B 21 -6.493 20.284 -18.212 1.00 25.00 C ATOM 627 CG GLU B 21 -6.673 20.247 -19.740 1.00 25.00 C ATOM 628 CD GLU B 21 -7.803 19.349 -20.175 1.00 25.00 C ATOM 629 OE1 GLU B 21 -8.106 18.323 -19.621 1.00 25.00 O ATOM 630 OE2 GLU B 21 -8.437 19.788 -21.201 1.00 25.00 O ATOM 0 H GLU B 21 -6.784 17.851 -18.378 1.00 25.00 H new ATOM 0 HA GLU B 21 -4.468 19.443 -18.124 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -7.453 20.071 -17.741 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -6.210 21.295 -17.917 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -6.858 21.258 -20.104 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -5.746 19.907 -20.202 1.00 25.00 H new ATOM 638 N ARG B 22 -5.684 18.630 -15.302 1.00 25.00 N ATOM 639 CA ARG B 22 -5.577 18.840 -13.849 1.00 25.00 C ATOM 640 C ARG B 22 -4.136 18.860 -13.354 1.00 25.00 C ATOM 641 O ARG B 22 -3.857 19.407 -12.285 1.00 25.00 O ATOM 642 CB ARG B 22 -6.319 17.749 -13.090 1.00 25.00 C ATOM 643 CG ARG B 22 -7.820 17.806 -13.276 1.00 25.00 C ATOM 644 CD ARG B 22 -8.479 16.725 -12.463 1.00 25.00 C ATOM 645 NE ARG B 22 -8.202 15.394 -13.021 1.00 25.00 N ATOM 646 CZ ARG B 22 -8.337 14.244 -12.363 1.00 25.00 C ATOM 647 NH1 ARG B 22 -8.667 14.196 -11.097 1.00 25.00 N ATOM 648 NH2 ARG B 22 -8.142 13.119 -12.982 1.00 25.00 N ATOM 0 H ARG B 22 -6.087 17.734 -15.575 1.00 25.00 H new ATOM 0 HA ARG B 22 -6.022 19.817 -13.660 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -5.956 16.775 -13.419 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -6.088 17.833 -12.028 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -8.196 18.783 -12.971 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -8.069 17.683 -14.330 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -8.122 16.772 -11.434 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -9.556 16.893 -12.435 1.00 25.00 H new ATOM 0 HE ARG B 22 -7.881 15.347 -13.988 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -8.831 15.060 -10.580 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -8.761 13.295 -10.628 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -7.886 13.118 -13.969 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -8.245 12.237 -12.481 1.00 25.00 H new ATOM 662 N GLY B 23 -3.245 18.218 -14.095 1.00 25.00 N ATOM 663 CA GLY B 23 -1.868 18.071 -13.650 1.00 25.00 C ATOM 664 C GLY B 23 -1.796 17.035 -12.542 1.00 25.00 C ATOM 665 O GLY B 23 -2.821 16.582 -12.057 1.00 25.00 O ATOM 0 H GLY B 23 -3.449 17.794 -15.000 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -1.236 17.769 -14.485 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -1.487 19.028 -13.292 1.00 25.00 H new ATOM 669 N PHE B 24 -0.600 16.633 -12.147 1.00 25.00 N ATOM 670 CA PHE B 24 -0.432 15.631 -11.095 1.00 25.00 C ATOM 671 C PHE B 24 0.955 15.808 -10.512 1.00 25.00 C ATOM 672 O PHE B 24 1.743 16.602 -11.022 1.00 25.00 O ATOM 673 CB PHE B 24 -0.592 14.210 -11.653 1.00 25.00 C ATOM 674 CG PHE B 24 0.476 13.823 -12.628 1.00 25.00 C ATOM 675 CD1 PHE B 24 0.355 14.160 -13.986 1.00 25.00 C ATOM 676 CD2 PHE B 24 1.610 13.114 -12.197 1.00 25.00 C ATOM 677 CE1 PHE B 24 1.362 13.805 -14.904 1.00 25.00 C ATOM 678 CE2 PHE B 24 2.619 12.742 -13.109 1.00 25.00 C ATOM 679 CZ PHE B 24 2.496 13.094 -14.469 1.00 25.00 C ATOM 0 H PHE B 24 0.275 16.983 -12.537 1.00 25.00 H new ATOM 0 HA PHE B 24 -1.196 15.767 -10.329 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.590 13.501 -10.825 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.564 14.128 -12.140 1.00 25.00 H new ATOM 0 HD1 PHE B 24 -0.518 14.696 -14.329 1.00 25.00 H new ATOM 0 HD2 PHE B 24 1.710 12.851 -11.154 1.00 25.00 H new ATOM 0 HE1 PHE B 24 1.264 14.079 -15.944 1.00 25.00 H new ATOM 0 HE2 PHE B 24 3.482 12.190 -12.768 1.00 25.00 H new ATOM 0 HZ PHE B 24 3.268 12.819 -15.173 1.00 25.00 H new ATOM 689 N PHE B 25 1.257 15.053 -9.470 1.00 25.00 N ATOM 690 CA PHE B 25 2.564 15.090 -8.835 1.00 25.00 C ATOM 691 C PHE B 25 2.986 13.646 -8.620 1.00 25.00 C ATOM 692 O PHE B 25 2.164 12.738 -8.698 1.00 25.00 O ATOM 693 CB PHE B 25 2.483 15.823 -7.492 1.00 25.00 C ATOM 694 CG PHE B 25 1.616 15.122 -6.475 1.00 25.00 C ATOM 695 CD1 PHE B 25 0.214 15.264 -6.507 1.00 25.00 C ATOM 696 CD2 PHE B 25 2.199 14.306 -5.484 1.00 25.00 C ATOM 697 CE1 PHE B 25 -0.604 14.585 -5.574 1.00 25.00 C ATOM 698 CE2 PHE B 25 1.391 13.627 -4.540 1.00 25.00 C ATOM 699 CZ PHE B 25 -0.014 13.762 -4.589 1.00 25.00 C ATOM 0 H PHE B 25 0.604 14.398 -9.040 1.00 25.00 H new ATOM 0 HA PHE B 25 3.285 15.622 -9.456 1.00 25.00 H new ATOM 0 HB2 PHE B 25 3.489 15.933 -7.086 1.00 25.00 H new ATOM 0 HB3 PHE B 25 2.094 16.828 -7.658 1.00 25.00 H new ATOM 0 HD1 PHE B 25 -0.241 15.899 -7.253 1.00 25.00 H new ATOM 0 HD2 PHE B 25 3.273 14.198 -5.444 1.00 25.00 H new ATOM 0 HE1 PHE B 25 -1.678 14.696 -5.615 1.00 25.00 H new ATOM 0 HE2 PHE B 25 1.849 13.007 -3.784 1.00 25.00 H new ATOM 0 HZ PHE B 25 -0.634 13.238 -3.877 1.00 25.00 H new ATOM 709 N TYR B 26 4.259 13.431 -8.338 1.00 25.00 N ATOM 710 CA TYR B 26 4.765 12.099 -8.050 1.00 25.00 C ATOM 711 C TYR B 26 5.947 12.287 -7.122 1.00 25.00 C ATOM 712 O TYR B 26 6.609 13.317 -7.183 1.00 25.00 O ATOM 713 CB TYR B 26 5.198 11.395 -9.342 1.00 25.00 C ATOM 714 CG TYR B 26 5.584 9.952 -9.115 1.00 25.00 C ATOM 715 CD1 TYR B 26 4.603 8.988 -8.809 1.00 25.00 C ATOM 716 CD2 TYR B 26 6.931 9.540 -9.192 1.00 25.00 C ATOM 717 CE1 TYR B 26 4.958 7.636 -8.572 1.00 25.00 C ATOM 718 CE2 TYR B 26 7.290 8.185 -8.959 1.00 25.00 C ATOM 719 CZ TYR B 26 6.300 7.249 -8.651 1.00 25.00 C ATOM 720 OH TYR B 26 6.641 5.939 -8.432 1.00 25.00 O ATOM 0 H TYR B 26 4.965 14.166 -8.302 1.00 25.00 H new ATOM 0 HA TYR B 26 3.998 11.475 -7.591 1.00 25.00 H new ATOM 0 HB2 TYR B 26 4.385 11.440 -10.066 1.00 25.00 H new ATOM 0 HB3 TYR B 26 6.043 11.929 -9.777 1.00 25.00 H new ATOM 0 HD1 TYR B 26 3.566 9.283 -8.754 1.00 25.00 H new ATOM 0 HD2 TYR B 26 7.698 10.262 -9.431 1.00 25.00 H new ATOM 0 HE1 TYR B 26 4.196 6.909 -8.332 1.00 25.00 H new ATOM 0 HE2 TYR B 26 8.324 7.880 -9.020 1.00 25.00 H new ATOM 0 HH TYR B 26 7.611 5.834 -8.525 1.00 25.00 H new ATOM 730 N THR B 27 6.211 11.314 -6.259 1.00 25.00 N ATOM 731 CA THR B 27 7.327 11.415 -5.314 1.00 25.00 C ATOM 732 C THR B 27 8.371 10.317 -5.565 1.00 25.00 C ATOM 733 O THR B 27 8.359 9.259 -4.908 1.00 25.00 O ATOM 734 CB THR B 27 6.815 11.306 -3.861 1.00 25.00 C ATOM 735 OG1 THR B 27 6.086 10.086 -3.700 1.00 25.00 O ATOM 736 CG2 THR B 27 5.885 12.461 -3.519 1.00 25.00 C ATOM 0 H THR B 27 5.674 10.449 -6.190 1.00 25.00 H new ATOM 0 HA THR B 27 7.797 12.387 -5.465 1.00 25.00 H new ATOM 0 HB THR B 27 7.681 11.332 -3.199 1.00 25.00 H new ATOM 0 HG1 THR B 27 6.602 9.344 -4.079 1.00 25.00 H new ATOM 0 HG21 THR B 27 5.540 12.358 -2.490 1.00 25.00 H new ATOM 0 HG22 THR B 27 6.420 13.404 -3.630 1.00 25.00 H new ATOM 0 HG23 THR B 27 5.028 12.449 -4.192 1.00 25.00 H new ATOM 744 N PRO B 28 9.309 10.559 -6.499 1.00 25.00 N ATOM 745 CA PRO B 28 10.351 9.559 -6.748 1.00 25.00 C ATOM 746 C PRO B 28 11.404 9.583 -5.646 1.00 25.00 C ATOM 747 O PRO B 28 11.458 10.522 -4.853 1.00 25.00 O ATOM 748 CB PRO B 28 10.937 10.012 -8.086 1.00 25.00 C ATOM 749 CG PRO B 28 10.806 11.484 -8.050 1.00 25.00 C ATOM 750 CD PRO B 28 9.489 11.745 -7.359 1.00 25.00 C ATOM 0 HA PRO B 28 9.977 8.535 -6.766 1.00 25.00 H new ATOM 0 HB2 PRO B 28 11.978 9.706 -8.191 1.00 25.00 H new ATOM 0 HB3 PRO B 28 10.392 9.583 -8.927 1.00 25.00 H new ATOM 0 HG2 PRO B 28 11.633 11.940 -7.507 1.00 25.00 H new ATOM 0 HG3 PRO B 28 10.814 11.905 -9.055 1.00 25.00 H new ATOM 0 HD2 PRO B 28 9.518 12.664 -6.774 1.00 25.00 H new ATOM 0 HD3 PRO B 28 8.674 11.849 -8.075 1.00 25.00 H new ATOM 758 N LYS B 29 12.231 8.548 -5.591 1.00 25.00 N ATOM 759 CA LYS B 29 13.301 8.448 -4.597 1.00 25.00 C ATOM 760 C LYS B 29 14.477 7.806 -5.300 1.00 25.00 C ATOM 761 O LYS B 29 14.290 7.013 -6.220 1.00 25.00 O ATOM 762 CB LYS B 29 12.855 7.600 -3.397 1.00 25.00 C ATOM 763 CG LYS B 29 11.753 8.273 -2.588 1.00 25.00 C ATOM 764 CD LYS B 29 11.230 7.413 -1.457 1.00 25.00 C ATOM 765 CE LYS B 29 10.145 8.172 -0.685 1.00 25.00 C ATOM 766 NZ LYS B 29 8.989 8.569 -1.581 1.00 25.00 N ATOM 0 H LYS B 29 12.183 7.754 -6.230 1.00 25.00 H new ATOM 0 HA LYS B 29 13.565 9.430 -4.205 1.00 25.00 H new ATOM 0 HB2 LYS B 29 12.502 6.631 -3.751 1.00 25.00 H new ATOM 0 HB3 LYS B 29 13.712 7.410 -2.751 1.00 25.00 H new ATOM 0 HG2 LYS B 29 12.133 9.209 -2.178 1.00 25.00 H new ATOM 0 HG3 LYS B 29 10.928 8.528 -3.253 1.00 25.00 H new ATOM 0 HD2 LYS B 29 10.823 6.483 -1.854 1.00 25.00 H new ATOM 0 HD3 LYS B 29 12.046 7.144 -0.786 1.00 25.00 H new ATOM 0 HE2 LYS B 29 9.776 7.549 0.130 1.00 25.00 H new ATOM 0 HE3 LYS B 29 10.578 9.065 -0.233 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 8.175 8.846 -0.996 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 9.273 9.370 -2.180 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 8.724 7.763 -2.183 1.00 25.00 H new ATOM 780 N THR B 30 15.678 8.191 -4.903 1.00 25.00 N ATOM 781 CA THR B 30 16.923 7.709 -5.506 1.00 25.00 C ATOM 782 C THR B 30 17.601 6.645 -4.654 1.00 25.00 C ATOM 783 O THR B 30 17.370 6.438 -3.484 1.00 25.00 O ATOM 784 CB THR B 30 17.859 8.908 -5.722 1.00 25.00 C ATOM 785 OG1 THR B 30 17.795 9.722 -4.557 1.00 25.00 O ATOM 786 CG2 THR B 30 17.380 9.768 -6.905 1.00 25.00 C ATOM 787 OXT THR B 30 18.459 5.930 -5.304 1.00 25.00 O ATOM 0 H THR B 30 15.825 8.856 -4.143 1.00 25.00 H new ATOM 0 HA THR B 30 16.688 7.237 -6.460 1.00 25.00 H new ATOM 0 HB THR B 30 18.866 8.542 -5.921 1.00 25.00 H new ATOM 0 HG1 THR B 30 18.386 10.496 -4.666 1.00 25.00 H new ATOM 0 HG21 THR B 30 18.057 10.611 -7.040 1.00 25.00 H new ATOM 0 HG22 THR B 30 17.367 9.164 -7.812 1.00 25.00 H new ATOM 0 HG23 THR B 30 16.375 10.139 -6.702 1.00 25.00 H new TER 796 THR B 30