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= 0.801 K(o=1.7,f=-1.6) USER MOD Set 1.2: B 10 HIS : no HE2:sc= 0.917 K(o=1.7,f=-5.2!) USER MOD Set 2.1: A 5 GLN : amide:sc= 0.118 K(o=0.24,f=-0.9!) USER MOD Set 2.2: A 15 GLN : amide:sc= 0.118 K(o=0.24,f=-0.9) USER MOD Single : A 1 GLY N :NH3+ -171:sc= 0.121 (180deg=0.109) 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 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 19 TYR OH : rot 23:sc= -0.162 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : B 1 PHE N :NH3+ -108:sc= 0.116 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.035 K(o=-0.035,f=-1.2) USER MOD Single : B 5 HIS : no HD1:sc= -2.85! C(o=-2.8!,f=-6.4!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.00118 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 2:sc= 0.253 USER MOD Single : B 27 THR OG1 : rot 48:sc= 0.544 USER MOD Single : B 29 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0327) USER MOD Single : B 30 THR OG1 : rot 58:sc= 0.0769 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.746 -0.234 -1.140 1.00 25.00 N ATOM 2 CA GLY A 1 2.508 1.181 -1.572 1.00 25.00 C ATOM 3 C GLY A 1 1.865 1.245 -2.936 1.00 25.00 C ATOM 4 O GLY A 1 1.873 0.252 -3.637 1.00 25.00 O ATOM 0 H1 GLY A 1 3.045 -0.247 -0.144 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.868 -0.781 -1.245 1.00 25.00 H new ATOM 0 H3 GLY A 1 3.490 -0.657 -1.731 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.869 1.682 -0.844 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.455 1.721 -1.590 1.00 25.00 H new ATOM 10 N ILE A 2 1.294 2.378 -3.322 1.00 25.00 N ATOM 11 CA ILE A 2 0.562 2.454 -4.595 1.00 25.00 C ATOM 12 C ILE A 2 1.453 2.303 -5.848 1.00 25.00 C ATOM 13 O ILE A 2 1.066 1.636 -6.803 1.00 25.00 O ATOM 14 CB ILE A 2 -0.298 3.755 -4.651 1.00 25.00 C ATOM 15 CG1 ILE A 2 -1.336 3.632 -5.778 1.00 25.00 C ATOM 16 CG2 ILE A 2 0.593 5.027 -4.779 1.00 25.00 C ATOM 17 CD1 ILE A 2 -2.378 4.739 -5.798 1.00 25.00 C ATOM 0 H ILE A 2 1.318 3.247 -2.788 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.100 1.588 -4.619 1.00 25.00 H new ATOM 0 HB ILE A 2 -0.838 3.872 -3.711 1.00 25.00 H new ATOM 0 HG12 ILE A 2 -0.815 3.623 -6.735 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -1.845 2.673 -5.683 1.00 25.00 H new ATOM 0 HG21 ILE A 2 -0.041 5.913 -4.815 1.00 25.00 H new ATOM 0 HG22 ILE A 2 1.259 5.092 -3.919 1.00 25.00 H new ATOM 0 HG23 ILE A 2 1.184 4.967 -5.693 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -3.069 4.573 -6.624 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -2.929 4.737 -4.858 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -1.884 5.702 -5.926 1.00 25.00 H new ATOM 29 N VAL A 3 2.674 2.829 -5.825 1.00 25.00 N ATOM 30 CA VAL A 3 3.589 2.652 -6.963 1.00 25.00 C ATOM 31 C VAL A 3 3.940 1.174 -7.097 1.00 25.00 C ATOM 32 O VAL A 3 4.025 0.640 -8.192 1.00 25.00 O ATOM 33 CB VAL A 3 4.876 3.550 -6.838 1.00 25.00 C ATOM 34 CG1 VAL A 3 5.494 3.480 -5.421 1.00 25.00 C ATOM 35 CG2 VAL A 3 5.926 3.169 -7.899 1.00 25.00 C ATOM 0 H VAL A 3 3.054 3.372 -5.050 1.00 25.00 H new ATOM 0 HA VAL A 3 3.084 2.982 -7.871 1.00 25.00 H new ATOM 0 HB VAL A 3 4.562 4.579 -7.014 1.00 25.00 H new ATOM 0 HG11 VAL A 3 6.380 4.114 -5.379 1.00 25.00 H new ATOM 0 HG12 VAL A 3 4.765 3.826 -4.688 1.00 25.00 H new ATOM 0 HG13 VAL A 3 5.774 2.451 -5.196 1.00 25.00 H new ATOM 0 HG21 VAL A 3 6.803 3.806 -7.788 1.00 25.00 H new ATOM 0 HG22 VAL A 3 6.215 2.127 -7.767 1.00 25.00 H new ATOM 0 HG23 VAL A 3 5.503 3.304 -8.894 1.00 25.00 H new ATOM 45 N GLU A 4 4.064 0.490 -5.970 1.00 25.00 N ATOM 46 CA GLU A 4 4.348 -0.937 -5.969 1.00 25.00 C ATOM 47 C GLU A 4 3.187 -1.700 -6.592 1.00 25.00 C ATOM 48 O GLU A 4 3.401 -2.592 -7.394 1.00 25.00 O ATOM 49 CB GLU A 4 4.578 -1.406 -4.531 1.00 25.00 C ATOM 50 CG GLU A 4 4.971 -2.862 -4.360 1.00 25.00 C ATOM 51 CD GLU A 4 4.967 -3.277 -2.915 1.00 25.00 C ATOM 52 OE1 GLU A 4 4.589 -2.556 -2.013 1.00 25.00 O ATOM 53 OE2 GLU A 4 5.391 -4.473 -2.723 1.00 25.00 O ATOM 0 H GLU A 4 3.972 0.902 -5.041 1.00 25.00 H new ATOM 0 HA GLU A 4 5.245 -1.129 -6.558 1.00 25.00 H new ATOM 0 HB2 GLU A 4 5.357 -0.786 -4.088 1.00 25.00 H new ATOM 0 HB3 GLU A 4 3.666 -1.227 -3.961 1.00 25.00 H new ATOM 0 HG2 GLU A 4 4.281 -3.493 -4.921 1.00 25.00 H new ATOM 0 HG3 GLU A 4 5.964 -3.022 -4.781 1.00 25.00 H new ATOM 61 N GLN A 5 1.966 -1.322 -6.242 1.00 25.00 N ATOM 62 CA GLN A 5 0.766 -1.969 -6.771 1.00 25.00 C ATOM 63 C GLN A 5 0.718 -1.874 -8.298 1.00 25.00 C ATOM 64 O GLN A 5 0.444 -2.859 -8.980 1.00 25.00 O ATOM 65 CB GLN A 5 -0.467 -1.285 -6.170 1.00 25.00 C ATOM 66 CG GLN A 5 -1.799 -1.952 -6.478 1.00 25.00 C ATOM 67 CD GLN A 5 -2.963 -1.114 -5.987 1.00 25.00 C ATOM 68 OE1 GLN A 5 -2.778 -0.151 -5.258 1.00 25.00 O ATOM 69 NE2 GLN A 5 -4.152 -1.457 -6.403 1.00 25.00 N ATOM 0 H GLN A 5 1.776 -0.563 -5.588 1.00 25.00 H new ATOM 0 HA GLN A 5 0.783 -3.025 -6.500 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -0.345 -1.239 -5.088 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -0.503 -0.257 -6.530 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -1.889 -2.109 -7.553 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -1.833 -2.935 -6.008 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -4.265 -2.268 -7.011 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -4.968 -0.914 -6.120 1.00 25.00 H new ATOM 78 N CYS A 6 1.009 -0.693 -8.830 1.00 25.00 N ATOM 79 CA CYS A 6 0.969 -0.480 -10.279 1.00 25.00 C ATOM 80 C CYS A 6 2.163 -1.118 -10.980 1.00 25.00 C ATOM 81 O CYS A 6 2.103 -1.424 -12.166 1.00 25.00 O ATOM 82 CB CYS A 6 0.952 1.016 -10.601 1.00 25.00 C ATOM 83 SG CYS A 6 -0.659 1.823 -10.326 1.00 25.00 S ATOM 0 H CYS A 6 1.274 0.129 -8.288 1.00 25.00 H new ATOM 0 HA CYS A 6 0.056 -0.952 -10.643 1.00 25.00 H new ATOM 0 HB2 CYS A 6 1.705 1.516 -9.991 1.00 25.00 H new ATOM 0 HB3 CYS A 6 1.242 1.155 -11.642 1.00 25.00 H new ATOM 88 N CYS A 7 3.258 -1.290 -10.259 1.00 25.00 N ATOM 89 CA CYS A 7 4.465 -1.848 -10.847 1.00 25.00 C ATOM 90 C CYS A 7 4.432 -3.381 -10.876 1.00 25.00 C ATOM 91 O CYS A 7 4.775 -3.995 -11.878 1.00 25.00 O ATOM 92 CB CYS A 7 5.691 -1.372 -10.065 1.00 25.00 C ATOM 93 SG CYS A 7 7.283 -1.892 -10.785 1.00 25.00 S ATOM 0 H CYS A 7 3.337 -1.053 -9.270 1.00 25.00 H new ATOM 0 HA CYS A 7 4.523 -1.498 -11.878 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.670 -0.284 -10.005 1.00 25.00 H new ATOM 0 HB3 CYS A 7 5.626 -1.749 -9.044 1.00 25.00 H new ATOM 98 N THR A 8 4.034 -4.000 -9.772 1.00 25.00 N ATOM 99 CA THR A 8 4.053 -5.463 -9.675 1.00 25.00 C ATOM 100 C THR A 8 2.833 -6.095 -10.342 1.00 25.00 C ATOM 101 O THR A 8 2.879 -7.246 -10.773 1.00 25.00 O ATOM 102 CB THR A 8 4.172 -5.930 -8.187 1.00 25.00 C ATOM 103 OG1 THR A 8 4.588 -7.296 -8.143 1.00 25.00 O ATOM 104 CG2 THR A 8 2.856 -5.821 -7.433 1.00 25.00 C ATOM 0 H THR A 8 3.696 -3.522 -8.936 1.00 25.00 H new ATOM 0 HA THR A 8 4.936 -5.806 -10.214 1.00 25.00 H new ATOM 0 HB THR A 8 4.901 -5.274 -7.711 1.00 25.00 H new ATOM 0 HG1 THR A 8 4.663 -7.585 -7.210 1.00 25.00 H new ATOM 0 HG21 THR A 8 2.996 -6.158 -6.406 1.00 25.00 H new ATOM 0 HG22 THR A 8 2.522 -4.783 -7.432 1.00 25.00 H new ATOM 0 HG23 THR A 8 2.105 -6.443 -7.920 1.00 25.00 H new ATOM 112 N SER A 9 1.744 -5.350 -10.458 1.00 25.00 N ATOM 113 CA SER A 9 0.537 -5.878 -11.080 1.00 25.00 C ATOM 114 C SER A 9 -0.152 -4.788 -11.883 1.00 25.00 C ATOM 115 O SER A 9 0.409 -3.724 -12.076 1.00 25.00 O ATOM 116 CB SER A 9 -0.401 -6.444 -10.015 1.00 25.00 C ATOM 117 OG SER A 9 0.230 -7.502 -9.317 1.00 25.00 O ATOM 0 H SER A 9 1.670 -4.386 -10.133 1.00 25.00 H new ATOM 0 HA SER A 9 0.809 -6.686 -11.758 1.00 25.00 H new ATOM 0 HB2 SER A 9 -0.686 -5.657 -9.316 1.00 25.00 H new ATOM 0 HB3 SER A 9 -1.318 -6.803 -10.482 1.00 25.00 H new ATOM 0 HG SER A 9 -0.381 -7.855 -8.637 1.00 25.00 H new ATOM 123 N ILE A 10 -1.293 -5.092 -12.475 1.00 25.00 N ATOM 124 CA ILE A 10 -1.957 -4.135 -13.357 1.00 25.00 C ATOM 125 C ILE A 10 -2.829 -3.232 -12.495 1.00 25.00 C ATOM 126 O ILE A 10 -3.581 -3.722 -11.656 1.00 25.00 O ATOM 127 CB ILE A 10 -2.866 -4.851 -14.412 1.00 25.00 C ATOM 128 CG1 ILE A 10 -2.092 -5.942 -15.186 1.00 25.00 C ATOM 129 CG2 ILE A 10 -3.478 -3.816 -15.392 1.00 25.00 C ATOM 130 CD1 ILE A 10 -0.987 -5.436 -16.104 1.00 25.00 C ATOM 0 H ILE A 10 -1.779 -5.982 -12.366 1.00 25.00 H new ATOM 0 HA ILE A 10 -1.197 -3.570 -13.897 1.00 25.00 H new ATOM 0 HB ILE A 10 -3.674 -5.344 -13.872 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -1.654 -6.632 -14.465 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -2.803 -6.513 -15.783 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -4.107 -4.331 -16.119 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -4.080 -3.099 -14.834 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -2.678 -3.290 -15.913 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -0.509 -6.282 -16.598 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -1.414 -4.771 -16.855 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -0.247 -4.892 -15.517 1.00 25.00 H new ATOM 142 N CYS A 11 -2.771 -1.931 -12.728 1.00 25.00 N ATOM 143 CA CYS A 11 -3.664 -0.996 -12.059 1.00 25.00 C ATOM 144 C CYS A 11 -4.388 -0.217 -13.157 1.00 25.00 C ATOM 145 O CYS A 11 -3.826 0.046 -14.220 1.00 25.00 O ATOM 146 CB CYS A 11 -2.893 -0.089 -11.088 1.00 25.00 C ATOM 147 SG CYS A 11 -1.805 1.148 -11.865 1.00 25.00 S ATOM 0 H CYS A 11 -2.114 -1.497 -13.376 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.394 -1.516 -11.438 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -3.612 0.432 -10.456 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -2.290 -0.717 -10.433 1.00 25.00 H new ATOM 152 N SER A 12 -5.668 0.045 -12.940 1.00 25.00 N ATOM 153 CA SER A 12 -6.513 0.683 -13.948 1.00 25.00 C ATOM 154 C SER A 12 -6.457 2.195 -13.804 1.00 25.00 C ATOM 155 O SER A 12 -5.908 2.709 -12.836 1.00 25.00 O ATOM 156 CB SER A 12 -7.952 0.204 -13.769 1.00 25.00 C ATOM 157 OG SER A 12 -8.429 0.547 -12.478 1.00 25.00 O ATOM 0 H SER A 12 -6.151 -0.175 -12.069 1.00 25.00 H new ATOM 0 HA SER A 12 -6.152 0.413 -14.941 1.00 25.00 H new ATOM 0 HB2 SER A 12 -8.589 0.653 -14.531 1.00 25.00 H new ATOM 0 HB3 SER A 12 -8.003 -0.876 -13.908 1.00 25.00 H new ATOM 0 HG SER A 12 -9.287 0.102 -12.317 1.00 25.00 H new ATOM 163 N LEU A 13 -7.079 2.911 -14.734 1.00 25.00 N ATOM 164 CA LEU A 13 -7.117 4.375 -14.677 1.00 25.00 C ATOM 165 C LEU A 13 -7.762 4.889 -13.387 1.00 25.00 C ATOM 166 O LEU A 13 -7.412 5.945 -12.898 1.00 25.00 O ATOM 167 CB LEU A 13 -7.849 4.939 -15.905 1.00 25.00 C ATOM 168 CG LEU A 13 -9.371 4.715 -15.998 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.131 5.959 -15.530 1.00 25.00 C ATOM 170 CD2 LEU A 13 -9.762 4.379 -17.432 1.00 25.00 C ATOM 0 H LEU A 13 -7.564 2.507 -15.536 1.00 25.00 H new ATOM 0 HA LEU A 13 -6.085 4.726 -14.682 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -7.665 6.013 -15.941 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.392 4.508 -16.795 1.00 25.00 H new ATOM 0 HG LEU A 13 -9.636 3.881 -15.348 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.204 5.779 -15.604 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -9.870 6.177 -14.494 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -9.861 6.808 -16.158 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -10.839 4.222 -17.488 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -9.480 5.202 -18.088 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.247 3.472 -17.747 1.00 25.00 H new ATOM 182 N TYR A 14 -8.671 4.117 -12.813 1.00 25.00 N ATOM 183 CA TYR A 14 -9.345 4.520 -11.581 1.00 25.00 C ATOM 184 C TYR A 14 -8.378 4.496 -10.405 1.00 25.00 C ATOM 185 O TYR A 14 -8.428 5.337 -9.526 1.00 25.00 O ATOM 186 CB TYR A 14 -10.511 3.575 -11.315 1.00 25.00 C ATOM 187 CG TYR A 14 -11.403 3.415 -12.523 1.00 25.00 C ATOM 188 CD1 TYR A 14 -12.308 4.429 -12.894 1.00 25.00 C ATOM 189 CD2 TYR A 14 -11.335 2.251 -13.318 1.00 25.00 C ATOM 190 CE1 TYR A 14 -13.129 4.288 -14.048 1.00 25.00 C ATOM 191 CE2 TYR A 14 -12.151 2.107 -14.471 1.00 25.00 C ATOM 192 CZ TYR A 14 -13.035 3.130 -14.827 1.00 25.00 C ATOM 193 OH TYR A 14 -13.812 2.989 -15.947 1.00 25.00 O ATOM 0 H TYR A 14 -8.961 3.209 -13.177 1.00 25.00 H new ATOM 0 HA TYR A 14 -9.715 5.539 -11.697 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -10.125 2.600 -11.019 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.099 3.953 -10.479 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.380 5.325 -12.295 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -10.653 1.459 -13.046 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.821 5.071 -14.321 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -12.089 1.211 -15.071 1.00 25.00 H new ATOM 0 HH TYR A 14 -13.621 2.127 -16.371 1.00 25.00 H new ATOM 203 N GLN A 15 -7.469 3.535 -10.428 1.00 25.00 N ATOM 204 CA GLN A 15 -6.447 3.414 -9.390 1.00 25.00 C ATOM 205 C GLN A 15 -5.424 4.531 -9.576 1.00 25.00 C ATOM 206 O GLN A 15 -4.893 5.074 -8.617 1.00 25.00 O ATOM 207 CB GLN A 15 -5.762 2.050 -9.498 1.00 25.00 C ATOM 208 CG GLN A 15 -6.720 0.864 -9.337 1.00 25.00 C ATOM 209 CD GLN A 15 -7.221 0.716 -7.913 1.00 25.00 C ATOM 210 OE1 GLN A 15 -6.450 0.471 -7.004 1.00 25.00 O ATOM 211 NE2 GLN A 15 -8.506 0.851 -7.721 1.00 25.00 N ATOM 0 H GLN A 15 -7.414 2.822 -11.156 1.00 25.00 H new ATOM 0 HA GLN A 15 -6.904 3.498 -8.404 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -5.268 1.977 -10.467 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -4.984 1.983 -8.737 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -7.570 0.993 -10.007 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -6.213 -0.053 -9.638 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -9.121 1.056 -8.509 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -8.895 0.751 -6.783 1.00 25.00 H new ATOM 220 N LEU A 16 -5.192 4.896 -10.825 1.00 25.00 N ATOM 221 CA LEU A 16 -4.291 5.995 -11.164 1.00 25.00 C ATOM 222 C LEU A 16 -4.799 7.350 -10.660 1.00 25.00 C ATOM 223 O LEU A 16 -4.004 8.190 -10.278 1.00 25.00 O ATOM 224 CB LEU A 16 -4.019 6.038 -12.672 1.00 25.00 C ATOM 225 CG LEU A 16 -3.117 4.903 -13.191 1.00 25.00 C ATOM 226 CD1 LEU A 16 -3.050 4.931 -14.711 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.702 5.020 -12.627 1.00 25.00 C ATOM 0 H LEU A 16 -5.619 4.444 -11.633 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.351 5.800 -10.648 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -4.971 5.999 -13.201 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.556 6.994 -12.918 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.553 3.960 -12.859 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.409 4.123 -15.062 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.052 4.804 -15.122 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.642 5.887 -15.040 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.089 4.205 -13.011 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.268 5.974 -12.928 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -1.738 4.965 -11.539 1.00 25.00 H new ATOM 239 N GLU A 17 -6.107 7.570 -10.661 1.00 25.00 N ATOM 240 CA GLU A 17 -6.668 8.842 -10.163 1.00 25.00 C ATOM 241 C GLU A 17 -6.244 9.155 -8.715 1.00 25.00 C ATOM 242 O GLU A 17 -6.167 10.312 -8.332 1.00 25.00 O ATOM 243 CB GLU A 17 -8.201 8.823 -10.238 1.00 25.00 C ATOM 244 CG GLU A 17 -8.752 8.877 -11.653 1.00 25.00 C ATOM 245 CD GLU A 17 -10.252 8.888 -11.688 1.00 25.00 C ATOM 246 OE1 GLU A 17 -10.925 9.774 -11.253 1.00 25.00 O ATOM 247 OE2 GLU A 17 -10.765 7.850 -12.253 1.00 25.00 O ATOM 0 H GLU A 17 -6.801 6.901 -10.994 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.267 9.624 -10.808 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.567 7.919 -9.751 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.592 9.670 -9.674 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -8.374 9.769 -12.152 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -8.385 8.018 -12.215 1.00 25.00 H new ATOM 255 N ASN A 18 -5.918 8.125 -7.942 1.00 25.00 N ATOM 256 CA ASN A 18 -5.449 8.288 -6.555 1.00 25.00 C ATOM 257 C ASN A 18 -4.145 9.098 -6.448 1.00 25.00 C ATOM 258 O ASN A 18 -3.852 9.675 -5.408 1.00 25.00 O ATOM 259 CB ASN A 18 -5.259 6.929 -5.885 1.00 25.00 C ATOM 260 CG ASN A 18 -6.553 6.165 -5.734 1.00 25.00 C ATOM 261 OD1 ASN A 18 -7.585 6.725 -5.423 1.00 25.00 O ATOM 262 ND2 ASN A 18 -6.494 4.879 -5.942 1.00 25.00 N ATOM 0 H ASN A 18 -5.968 7.154 -8.250 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.226 8.852 -6.040 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.558 6.335 -6.471 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -4.811 7.073 -4.902 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.333 4.308 -5.845 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -5.609 4.445 -6.202 1.00 25.00 H new ATOM 269 N TYR A 19 -3.333 9.077 -7.498 1.00 25.00 N ATOM 270 CA TYR A 19 -2.058 9.817 -7.535 1.00 25.00 C ATOM 271 C TYR A 19 -2.289 11.332 -7.692 1.00 25.00 C ATOM 272 O TYR A 19 -1.338 12.110 -7.805 1.00 25.00 O ATOM 273 CB TYR A 19 -1.234 9.355 -8.725 1.00 25.00 C ATOM 274 CG TYR A 19 -0.619 7.982 -8.592 1.00 25.00 C ATOM 275 CD1 TYR A 19 -1.367 6.822 -8.871 1.00 25.00 C ATOM 276 CD2 TYR A 19 0.730 7.836 -8.222 1.00 25.00 C ATOM 277 CE1 TYR A 19 -0.778 5.548 -8.805 1.00 25.00 C ATOM 278 CE2 TYR A 19 1.323 6.556 -8.148 1.00 25.00 C ATOM 279 CZ TYR A 19 0.561 5.424 -8.450 1.00 25.00 C ATOM 280 OH TYR A 19 1.122 4.179 -8.400 1.00 25.00 O ATOM 0 H TYR A 19 -3.530 8.551 -8.350 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.542 9.623 -6.595 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.868 9.366 -9.611 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.436 10.077 -8.895 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -2.409 6.913 -9.140 1.00 25.00 H new ATOM 0 HD2 TYR A 19 1.319 8.712 -7.992 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -1.363 4.668 -9.029 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.359 6.453 -7.860 1.00 25.00 H new ATOM 0 HH TYR A 19 0.604 3.564 -8.960 1.00 25.00 H new ATOM 290 N CYS A 20 -3.547 11.743 -7.732 1.00 25.00 N ATOM 291 CA CYS A 20 -3.910 13.153 -7.810 1.00 25.00 C ATOM 292 C CYS A 20 -4.681 13.512 -6.541 1.00 25.00 C ATOM 293 O CYS A 20 -5.411 12.698 -5.994 1.00 25.00 O ATOM 294 CB CYS A 20 -4.793 13.407 -9.032 1.00 25.00 C ATOM 295 SG CYS A 20 -4.071 12.837 -10.601 1.00 25.00 S ATOM 0 H CYS A 20 -4.346 11.110 -7.711 1.00 25.00 H new ATOM 0 HA CYS A 20 -3.011 13.763 -7.902 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -5.752 12.910 -8.884 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -4.996 14.476 -9.105 1.00 25.00 H new ATOM 300 N ASN A 21 -4.530 14.754 -6.070 1.00 25.00 N ATOM 301 CA ASN A 21 -5.243 15.236 -4.869 1.00 25.00 C ATOM 302 C ASN A 21 -5.531 16.727 -4.959 1.00 25.00 C ATOM 303 O ASN A 21 -4.681 17.582 -5.081 1.00 25.00 O ATOM 304 CB ASN A 21 -4.462 14.924 -3.574 1.00 25.00 C ATOM 305 CG ASN A 21 -5.215 15.442 -2.381 1.00 25.00 C ATOM 306 OD1 ASN A 21 -6.393 15.279 -2.208 1.00 25.00 O ATOM 307 ND2 ASN A 21 -4.501 16.133 -1.504 1.00 25.00 N ATOM 308 OXT ASN A 21 -6.787 17.019 -4.946 1.00 25.00 O ATOM 0 H ASN A 21 -3.920 15.450 -6.499 1.00 25.00 H new ATOM 0 HA ASN A 21 -6.191 14.700 -4.829 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -4.312 13.848 -3.480 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -3.473 15.381 -3.617 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -4.951 16.529 -0.679 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -3.501 16.269 -1.654 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -8.735 1.380 -22.330 1.00 25.00 N ATOM 318 CA PHE B 1 -7.453 1.382 -21.572 1.00 25.00 C ATOM 319 C PHE B 1 -6.636 0.163 -21.948 1.00 25.00 C ATOM 320 O PHE B 1 -7.212 -0.829 -22.359 1.00 25.00 O ATOM 321 CB PHE B 1 -7.748 1.383 -20.064 1.00 25.00 C ATOM 322 CG PHE B 1 -6.573 1.794 -19.213 1.00 25.00 C ATOM 323 CD1 PHE B 1 -6.222 3.154 -19.091 1.00 25.00 C ATOM 324 CD2 PHE B 1 -5.815 0.829 -18.517 1.00 25.00 C ATOM 325 CE1 PHE B 1 -5.120 3.550 -18.294 1.00 25.00 C ATOM 326 CE2 PHE B 1 -4.710 1.216 -17.713 1.00 25.00 C ATOM 327 CZ PHE B 1 -4.362 2.580 -17.608 1.00 25.00 C ATOM 0 H1 PHE B 1 -8.709 2.122 -23.058 1.00 25.00 H new ATOM 0 H2 PHE B 1 -8.869 0.454 -22.784 1.00 25.00 H new ATOM 0 H3 PHE B 1 -9.524 1.563 -21.678 1.00 25.00 H new ATOM 0 HA PHE B 1 -6.883 2.277 -21.821 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -8.581 2.058 -19.867 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -8.069 0.385 -19.766 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -6.800 3.903 -19.612 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -6.078 -0.216 -18.596 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -4.861 4.595 -18.212 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.138 0.469 -17.183 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.518 2.879 -17.004 1.00 25.00 H new ATOM 339 N VAL B 2 -5.314 0.236 -21.848 1.00 25.00 N ATOM 340 CA VAL B 2 -4.450 -0.893 -22.207 1.00 25.00 C ATOM 341 C VAL B 2 -3.775 -1.373 -20.933 1.00 25.00 C ATOM 342 O VAL B 2 -3.197 -0.573 -20.201 1.00 25.00 O ATOM 343 CB VAL B 2 -3.363 -0.470 -23.246 1.00 25.00 C ATOM 344 CG1 VAL B 2 -2.457 -1.661 -23.611 1.00 25.00 C ATOM 345 CG2 VAL B 2 -4.031 0.080 -24.520 1.00 25.00 C ATOM 0 H VAL B 2 -4.813 1.062 -21.522 1.00 25.00 H new ATOM 0 HA VAL B 2 -5.049 -1.682 -22.662 1.00 25.00 H new ATOM 0 HB VAL B 2 -2.749 0.309 -22.794 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -1.709 -1.340 -24.336 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -1.959 -2.028 -22.713 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -3.061 -2.459 -24.042 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -3.263 0.371 -25.237 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -4.665 -0.690 -24.960 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -4.639 0.948 -24.266 1.00 25.00 H new ATOM 355 N ASN B 3 -3.867 -2.663 -20.652 1.00 25.00 N ATOM 356 CA ASN B 3 -3.263 -3.204 -19.442 1.00 25.00 C ATOM 357 C ASN B 3 -1.769 -3.318 -19.609 1.00 25.00 C ATOM 358 O ASN B 3 -1.288 -3.951 -20.540 1.00 25.00 O ATOM 359 CB ASN B 3 -3.792 -4.600 -19.121 1.00 25.00 C ATOM 360 CG ASN B 3 -5.234 -4.588 -18.683 1.00 25.00 C ATOM 361 OD1 ASN B 3 -5.727 -3.598 -18.169 1.00 25.00 O ATOM 362 ND2 ASN B 3 -5.919 -5.678 -18.894 1.00 25.00 N ATOM 0 H ASN B 3 -4.347 -3.348 -21.236 1.00 25.00 H new ATOM 0 HA ASN B 3 -3.517 -2.520 -18.633 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -3.689 -5.235 -20.001 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -3.181 -5.044 -18.335 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -6.902 -5.722 -18.626 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -5.471 -6.486 -19.327 1.00 25.00 H new ATOM 369 N GLN B 4 -1.041 -2.740 -18.673 1.00 25.00 N ATOM 370 CA GLN B 4 0.400 -2.859 -18.632 1.00 25.00 C ATOM 371 C GLN B 4 0.798 -2.518 -17.210 1.00 25.00 C ATOM 372 O GLN B 4 0.149 -1.706 -16.557 1.00 25.00 O ATOM 373 CB GLN B 4 1.068 -1.891 -19.624 1.00 25.00 C ATOM 374 CG GLN B 4 0.602 -0.444 -19.493 1.00 25.00 C ATOM 375 CD GLN B 4 1.267 0.474 -20.491 1.00 25.00 C ATOM 376 OE1 GLN B 4 2.433 0.831 -20.349 1.00 25.00 O ATOM 377 NE2 GLN B 4 0.531 0.876 -21.491 1.00 25.00 N ATOM 0 H GLN B 4 -1.434 -2.175 -17.920 1.00 25.00 H new ATOM 0 HA GLN B 4 0.721 -3.861 -18.916 1.00 25.00 H new ATOM 0 HB2 GLN B 4 2.148 -1.928 -19.480 1.00 25.00 H new ATOM 0 HB3 GLN B 4 0.870 -2.235 -20.639 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -0.479 -0.401 -19.629 1.00 25.00 H new ATOM 0 HG3 GLN B 4 0.811 -0.089 -18.484 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -0.434 0.557 -21.574 1.00 25.00 H new ATOM 0 HE22 GLN B 4 0.921 1.509 -22.189 1.00 25.00 H new ATOM 386 N HIS B 5 1.859 -3.135 -16.733 1.00 25.00 N ATOM 387 CA HIS B 5 2.452 -2.731 -15.457 1.00 25.00 C ATOM 388 C HIS B 5 3.097 -1.357 -15.654 1.00 25.00 C ATOM 389 O HIS B 5 3.616 -1.054 -16.731 1.00 25.00 O ATOM 390 CB HIS B 5 3.495 -3.742 -14.999 1.00 25.00 C ATOM 391 CG HIS B 5 2.940 -5.117 -14.798 1.00 25.00 C ATOM 392 ND1 HIS B 5 1.816 -5.382 -14.035 1.00 25.00 N ATOM 393 CD2 HIS B 5 3.333 -6.326 -15.258 1.00 25.00 C ATOM 394 CE1 HIS B 5 1.569 -6.690 -14.079 1.00 25.00 C ATOM 395 NE2 HIS B 5 2.475 -7.270 -14.799 1.00 25.00 N ATOM 0 H HIS B 5 2.331 -3.911 -17.197 1.00 25.00 H new ATOM 0 HA HIS B 5 1.681 -2.685 -14.688 1.00 25.00 H new ATOM 0 HB2 HIS B 5 4.297 -3.786 -15.736 1.00 25.00 H new ATOM 0 HB3 HIS B 5 3.939 -3.397 -14.065 1.00 25.00 H new ATOM 0 HD2 HIS B 5 4.191 -6.510 -15.888 1.00 25.00 H new ATOM 0 HE1 HIS B 5 0.744 -7.188 -13.591 1.00 25.00 H new ATOM 0 HE2 HIS B 5 2.534 -8.270 -14.989 1.00 25.00 H new ATOM 404 N LEU B 6 3.036 -0.525 -14.629 1.00 25.00 N ATOM 405 CA LEU B 6 3.512 0.854 -14.699 1.00 25.00 C ATOM 406 C LEU B 6 4.449 1.142 -13.525 1.00 25.00 C ATOM 407 O LEU B 6 4.003 1.275 -12.394 1.00 25.00 O ATOM 408 CB LEU B 6 2.307 1.799 -14.631 1.00 25.00 C ATOM 409 CG LEU B 6 1.240 1.678 -15.731 1.00 25.00 C ATOM 410 CD1 LEU B 6 0.020 2.487 -15.329 1.00 25.00 C ATOM 411 CD2 LEU B 6 1.758 2.161 -17.084 1.00 25.00 C ATOM 0 H LEU B 6 2.654 -0.784 -13.719 1.00 25.00 H new ATOM 0 HA LEU B 6 4.054 1.005 -15.632 1.00 25.00 H new ATOM 0 HB2 LEU B 6 1.816 1.648 -13.670 1.00 25.00 H new ATOM 0 HB3 LEU B 6 2.683 2.822 -14.639 1.00 25.00 H new ATOM 0 HG LEU B 6 0.979 0.625 -15.838 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -0.742 2.406 -16.104 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -0.377 2.104 -14.389 1.00 25.00 H new ATOM 0 HD13 LEU B 6 0.302 3.533 -15.205 1.00 25.00 H new ATOM 0 HD21 LEU B 6 0.972 2.058 -17.832 1.00 25.00 H new ATOM 0 HD22 LEU B 6 2.052 3.208 -17.008 1.00 25.00 H new ATOM 0 HD23 LEU B 6 2.620 1.562 -17.378 1.00 25.00 H new ATOM 423 N CYS B 7 5.749 1.208 -13.791 1.00 25.00 N ATOM 424 CA CYS B 7 6.741 1.404 -12.720 1.00 25.00 C ATOM 425 C CYS B 7 7.416 2.784 -12.749 1.00 25.00 C ATOM 426 O CYS B 7 7.183 3.622 -11.884 1.00 25.00 O ATOM 427 CB CYS B 7 7.818 0.315 -12.820 1.00 25.00 C ATOM 428 SG CYS B 7 7.161 -1.382 -12.750 1.00 25.00 S ATOM 0 H CYS B 7 6.146 1.130 -14.727 1.00 25.00 H new ATOM 0 HA CYS B 7 6.198 1.339 -11.777 1.00 25.00 H new ATOM 0 HB2 CYS B 7 8.365 0.444 -13.754 1.00 25.00 H new ATOM 0 HB3 CYS B 7 8.534 0.451 -12.009 1.00 25.00 H new ATOM 433 N GLY B 8 8.284 2.992 -13.734 1.00 25.00 N ATOM 434 CA GLY B 8 9.044 4.233 -13.832 1.00 25.00 C ATOM 435 C GLY B 8 8.355 5.292 -14.668 1.00 25.00 C ATOM 436 O GLY B 8 7.249 5.718 -14.358 1.00 25.00 O ATOM 0 H GLY B 8 8.478 2.318 -14.475 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.216 4.626 -12.830 1.00 25.00 H new ATOM 0 HA3 GLY B 8 10.022 4.019 -14.263 1.00 25.00 H new ATOM 440 N SER B 9 8.986 5.678 -15.770 1.00 25.00 N ATOM 441 CA SER B 9 8.436 6.704 -16.664 1.00 25.00 C ATOM 442 C SER B 9 7.043 6.351 -17.169 1.00 25.00 C ATOM 443 O SER B 9 6.212 7.224 -17.345 1.00 25.00 O ATOM 444 CB SER B 9 9.370 6.884 -17.858 1.00 25.00 C ATOM 445 OG SER B 9 9.681 5.619 -18.424 1.00 25.00 O ATOM 0 H SER B 9 9.883 5.298 -16.072 1.00 25.00 H new ATOM 0 HA SER B 9 8.354 7.627 -16.091 1.00 25.00 H new ATOM 0 HB2 SER B 9 8.899 7.521 -18.607 1.00 25.00 H new ATOM 0 HB3 SER B 9 10.285 7.386 -17.543 1.00 25.00 H new ATOM 0 HG SER B 9 10.279 5.742 -19.191 1.00 25.00 H new ATOM 451 N HIS B 10 6.773 5.064 -17.335 1.00 25.00 N ATOM 452 CA HIS B 10 5.450 4.613 -17.770 1.00 25.00 C ATOM 453 C HIS B 10 4.349 5.073 -16.822 1.00 25.00 C ATOM 454 O HIS B 10 3.265 5.417 -17.261 1.00 25.00 O ATOM 455 CB HIS B 10 5.406 3.087 -17.862 1.00 25.00 C ATOM 456 CG HIS B 10 5.876 2.549 -19.175 1.00 25.00 C ATOM 457 ND1 HIS B 10 5.049 1.855 -20.062 1.00 25.00 N ATOM 458 CD2 HIS B 10 7.086 2.589 -19.792 1.00 25.00 C ATOM 459 CE1 HIS B 10 5.753 1.522 -21.133 1.00 25.00 C ATOM 460 NE2 HIS B 10 6.979 1.954 -20.993 1.00 25.00 N ATOM 0 H HIS B 10 7.446 4.314 -17.177 1.00 25.00 H new ATOM 0 HA HIS B 10 5.276 5.056 -18.751 1.00 25.00 H new ATOM 0 HB2 HIS B 10 6.021 2.666 -17.066 1.00 25.00 H new ATOM 0 HB3 HIS B 10 4.384 2.751 -17.687 1.00 25.00 H new ATOM 0 HD1 HIS B 10 4.064 1.640 -19.909 1.00 25.00 H new ATOM 0 HD2 HIS B 10 7.981 3.047 -19.397 1.00 25.00 H new ATOM 0 HE1 HIS B 10 5.374 0.980 -21.987 1.00 25.00 H new ATOM 469 N LEU B 11 4.623 5.069 -15.526 1.00 25.00 N ATOM 470 CA LEU B 11 3.622 5.459 -14.541 1.00 25.00 C ATOM 471 C LEU B 11 3.343 6.951 -14.662 1.00 25.00 C ATOM 472 O LEU B 11 2.200 7.373 -14.658 1.00 25.00 O ATOM 473 CB LEU B 11 4.114 5.095 -13.130 1.00 25.00 C ATOM 474 CG LEU B 11 3.157 5.313 -11.943 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.813 4.633 -12.149 1.00 25.00 C ATOM 476 CD2 LEU B 11 3.798 4.749 -10.678 1.00 25.00 C ATOM 0 H LEU B 11 5.525 4.802 -15.132 1.00 25.00 H new ATOM 0 HA LEU B 11 2.692 4.922 -14.724 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.398 4.043 -13.138 1.00 25.00 H new ATOM 0 HB3 LEU B 11 5.020 5.669 -12.936 1.00 25.00 H new ATOM 0 HG LEU B 11 2.981 6.385 -11.857 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.176 4.817 -11.284 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.336 5.034 -13.043 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.963 3.560 -12.267 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.127 4.899 -9.832 1.00 25.00 H new ATOM 0 HD22 LEU B 11 3.984 3.683 -10.809 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.741 5.262 -10.488 1.00 25.00 H new ATOM 488 N VAL B 12 4.394 7.734 -14.841 1.00 25.00 N ATOM 489 CA VAL B 12 4.259 9.183 -14.996 1.00 25.00 C ATOM 490 C VAL B 12 3.489 9.514 -16.278 1.00 25.00 C ATOM 491 O VAL B 12 2.586 10.342 -16.280 1.00 25.00 O ATOM 492 CB VAL B 12 5.665 9.856 -15.055 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.545 11.367 -15.166 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.486 9.489 -13.811 1.00 25.00 C ATOM 0 H VAL B 12 5.355 7.395 -14.883 1.00 25.00 H new ATOM 0 HA VAL B 12 3.710 9.566 -14.136 1.00 25.00 H new ATOM 0 HB VAL B 12 6.176 9.485 -15.944 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.541 11.809 -15.205 1.00 25.00 H new ATOM 0 HG12 VAL B 12 4.998 11.623 -16.074 1.00 25.00 H new ATOM 0 HG13 VAL B 12 5.010 11.754 -14.299 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.464 9.966 -13.867 1.00 25.00 H new ATOM 0 HG22 VAL B 12 5.965 9.832 -12.917 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.612 8.407 -13.764 1.00 25.00 H new ATOM 504 N GLU B 13 3.834 8.839 -17.365 1.00 25.00 N ATOM 505 CA GLU B 13 3.186 9.067 -18.657 1.00 25.00 C ATOM 506 C GLU B 13 1.712 8.692 -18.597 1.00 25.00 C ATOM 507 O GLU B 13 0.872 9.325 -19.225 1.00 25.00 O ATOM 508 CB GLU B 13 3.878 8.228 -19.737 1.00 25.00 C ATOM 509 CG GLU B 13 5.275 8.725 -20.100 1.00 25.00 C ATOM 510 CD GLU B 13 6.028 7.744 -20.953 1.00 25.00 C ATOM 511 OE1 GLU B 13 6.368 6.644 -20.584 1.00 25.00 O ATOM 512 OE2 GLU B 13 6.296 8.188 -22.130 1.00 25.00 O ATOM 0 H GLU B 13 4.562 8.125 -17.382 1.00 25.00 H new ATOM 0 HA GLU B 13 3.269 10.126 -18.900 1.00 25.00 H new ATOM 0 HB2 GLU B 13 3.947 7.196 -19.394 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.259 8.225 -20.634 1.00 25.00 H new ATOM 0 HG2 GLU B 13 5.194 9.675 -20.629 1.00 25.00 H new ATOM 0 HG3 GLU B 13 5.839 8.916 -19.187 1.00 25.00 H new ATOM 520 N ALA B 14 1.394 7.668 -17.819 1.00 25.00 N ATOM 521 CA ALA B 14 0.014 7.229 -17.681 1.00 25.00 C ATOM 522 C ALA B 14 -0.782 8.271 -16.899 1.00 25.00 C ATOM 523 O ALA B 14 -1.932 8.552 -17.214 1.00 25.00 O ATOM 524 CB ALA B 14 -0.031 5.883 -16.976 1.00 25.00 C ATOM 0 H ALA B 14 2.069 7.128 -17.277 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.432 7.118 -18.669 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.067 5.559 -16.875 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.524 5.148 -17.559 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.418 5.975 -15.987 1.00 25.00 H new ATOM 530 N LEU B 15 -0.162 8.846 -15.881 1.00 25.00 N ATOM 531 CA LEU B 15 -0.826 9.844 -15.052 1.00 25.00 C ATOM 532 C LEU B 15 -1.131 11.124 -15.813 1.00 25.00 C ATOM 533 O LEU B 15 -2.175 11.739 -15.589 1.00 25.00 O ATOM 534 CB LEU B 15 0.033 10.151 -13.826 1.00 25.00 C ATOM 535 CG LEU B 15 0.056 9.041 -12.768 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.106 9.317 -11.696 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.307 8.915 -12.151 1.00 25.00 C ATOM 0 H LEU B 15 0.799 8.640 -15.608 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.782 9.425 -14.739 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.055 10.344 -14.154 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.332 11.068 -13.364 1.00 25.00 H new ATOM 0 HG LEU B 15 0.324 8.102 -13.253 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.096 8.512 -10.962 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.091 9.375 -12.158 1.00 25.00 H new ATOM 0 HD13 LEU B 15 0.881 10.262 -11.201 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.294 8.127 -11.398 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.583 9.860 -11.682 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -2.035 8.667 -12.924 1.00 25.00 H new ATOM 549 N TYR B 16 -0.280 11.476 -16.769 1.00 25.00 N ATOM 550 CA TYR B 16 -0.547 12.627 -17.635 1.00 25.00 C ATOM 551 C TYR B 16 -1.859 12.431 -18.380 1.00 25.00 C ATOM 552 O TYR B 16 -2.610 13.373 -18.571 1.00 25.00 O ATOM 553 CB TYR B 16 0.569 12.823 -18.667 1.00 25.00 C ATOM 554 CG TYR B 16 1.706 13.695 -18.186 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.533 15.088 -18.045 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.966 13.144 -17.882 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.599 15.915 -17.595 1.00 25.00 C ATOM 558 CE2 TYR B 16 4.036 13.971 -17.442 1.00 25.00 C ATOM 559 CZ TYR B 16 3.839 15.344 -17.298 1.00 25.00 C ATOM 560 OH TYR B 16 4.873 16.132 -16.863 1.00 25.00 O ATOM 0 H TYR B 16 0.594 10.989 -16.966 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.601 13.508 -16.995 1.00 25.00 H new ATOM 0 HB2 TYR B 16 0.966 11.847 -18.947 1.00 25.00 H new ATOM 0 HB3 TYR B 16 0.143 13.264 -19.568 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.578 15.533 -18.282 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.122 12.080 -17.984 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.451 16.979 -17.483 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.999 13.536 -17.220 1.00 25.00 H new ATOM 0 HH TYR B 16 5.663 15.575 -16.701 1.00 25.00 H new ATOM 570 N LEU B 17 -2.141 11.208 -18.800 1.00 25.00 N ATOM 571 CA LEU B 17 -3.389 10.929 -19.506 1.00 25.00 C ATOM 572 C LEU B 17 -4.604 10.975 -18.587 1.00 25.00 C ATOM 573 O LEU B 17 -5.647 11.503 -18.947 1.00 25.00 O ATOM 574 CB LEU B 17 -3.352 9.540 -20.136 1.00 25.00 C ATOM 575 CG LEU B 17 -2.258 9.250 -21.173 1.00 25.00 C ATOM 576 CD1 LEU B 17 -2.261 7.751 -21.493 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.461 10.060 -22.452 1.00 25.00 C ATOM 0 H LEU B 17 -1.534 10.399 -18.668 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.481 11.706 -20.265 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.252 8.811 -19.332 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.317 9.362 -20.610 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.296 9.544 -20.753 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.487 7.535 -22.229 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -2.065 7.184 -20.583 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -3.234 7.467 -21.895 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.666 9.826 -23.161 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.426 9.808 -22.893 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.436 11.124 -22.217 1.00 25.00 H new ATOM 589 N VAL B 18 -4.488 10.340 -17.430 1.00 25.00 N ATOM 590 CA VAL B 18 -5.635 10.157 -16.536 1.00 25.00 C ATOM 591 C VAL B 18 -6.044 11.455 -15.867 1.00 25.00 C ATOM 592 O VAL B 18 -7.231 11.780 -15.791 1.00 25.00 O ATOM 593 CB VAL B 18 -5.319 9.085 -15.454 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.473 8.935 -14.457 1.00 25.00 C ATOM 595 CG2 VAL B 18 -5.059 7.744 -16.127 1.00 25.00 C ATOM 0 H VAL B 18 -3.615 9.941 -17.084 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.469 9.817 -17.150 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.435 9.411 -14.906 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -6.217 8.178 -13.716 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.648 9.888 -13.957 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.376 8.633 -14.988 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.838 6.993 -15.369 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.942 7.442 -16.690 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -4.211 7.836 -16.805 1.00 25.00 H new ATOM 605 N CYS B 19 -5.073 12.213 -15.388 1.00 25.00 N ATOM 606 CA CYS B 19 -5.389 13.468 -14.723 1.00 25.00 C ATOM 607 C CYS B 19 -5.367 14.638 -15.702 1.00 25.00 C ATOM 608 O CYS B 19 -5.862 15.730 -15.395 1.00 25.00 O ATOM 609 CB CYS B 19 -4.474 13.696 -13.520 1.00 25.00 C ATOM 610 SG CYS B 19 -5.422 13.455 -11.980 1.00 25.00 S ATOM 0 H CYS B 19 -4.079 11.990 -15.444 1.00 25.00 H new ATOM 0 HA CYS B 19 -6.408 13.402 -14.341 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.632 13.004 -13.554 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -4.060 14.704 -13.551 1.00 25.00 H new ATOM 615 N GLY B 20 -4.884 14.400 -16.911 1.00 25.00 N ATOM 616 CA GLY B 20 -4.910 15.439 -17.922 1.00 25.00 C ATOM 617 C GLY B 20 -4.133 16.678 -17.521 1.00 25.00 C ATOM 618 O GLY B 20 -3.117 16.623 -16.830 1.00 25.00 O ATOM 0 H GLY B 20 -4.477 13.514 -17.210 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -4.499 15.044 -18.851 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -5.945 15.716 -18.124 1.00 25.00 H new ATOM 622 N GLU B 21 -4.640 17.820 -17.956 1.00 25.00 N ATOM 623 CA GLU B 21 -3.989 19.105 -17.722 1.00 25.00 C ATOM 624 C GLU B 21 -4.023 19.603 -16.268 1.00 25.00 C ATOM 625 O GLU B 21 -3.383 20.600 -15.961 1.00 25.00 O ATOM 626 CB GLU B 21 -4.643 20.165 -18.616 1.00 25.00 C ATOM 627 CG GLU B 21 -4.444 19.916 -20.114 1.00 25.00 C ATOM 628 CD GLU B 21 -5.086 20.977 -20.964 1.00 25.00 C ATOM 629 OE1 GLU B 21 -6.034 21.618 -20.616 1.00 25.00 O ATOM 630 OE2 GLU B 21 -4.522 21.122 -22.122 1.00 25.00 O ATOM 0 H GLU B 21 -5.512 17.886 -18.480 1.00 25.00 H new ATOM 0 HA GLU B 21 -2.937 18.947 -17.960 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -5.711 20.200 -18.401 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -4.235 21.143 -18.362 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -3.377 19.875 -20.334 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -4.861 18.944 -20.376 1.00 25.00 H new ATOM 638 N ARG B 22 -4.761 18.944 -15.374 1.00 25.00 N ATOM 639 CA ARG B 22 -4.850 19.427 -13.991 1.00 25.00 C ATOM 640 C ARG B 22 -3.572 19.141 -13.197 1.00 25.00 C ATOM 641 O ARG B 22 -3.361 19.702 -12.127 1.00 25.00 O ATOM 642 CB ARG B 22 -6.076 18.832 -13.289 1.00 25.00 C ATOM 643 CG ARG B 22 -5.801 17.578 -12.475 1.00 25.00 C ATOM 644 CD ARG B 22 -7.078 16.896 -12.092 1.00 25.00 C ATOM 645 NE ARG B 22 -7.586 16.097 -13.209 1.00 25.00 N ATOM 646 CZ ARG B 22 -8.599 15.240 -13.152 1.00 25.00 C ATOM 647 NH1 ARG B 22 -9.284 15.037 -12.051 1.00 25.00 N ATOM 648 NH2 ARG B 22 -8.921 14.570 -14.221 1.00 25.00 N ATOM 0 H ARG B 22 -5.293 18.097 -15.572 1.00 25.00 H new ATOM 0 HA ARG B 22 -4.964 20.510 -14.032 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -6.503 19.589 -12.631 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -6.831 18.601 -14.041 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -5.179 16.895 -13.053 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -5.240 17.839 -11.577 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -6.910 16.256 -11.226 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -7.821 17.639 -11.800 1.00 25.00 H new ATOM 0 HE ARG B 22 -7.121 16.208 -14.110 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -9.044 15.546 -11.200 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -10.056 14.370 -12.046 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -8.398 14.707 -15.086 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -9.696 13.908 -14.194 1.00 25.00 H new ATOM 662 N GLY B 23 -2.733 18.263 -13.730 1.00 25.00 N ATOM 663 CA GLY B 23 -1.511 17.879 -13.043 1.00 25.00 C ATOM 664 C GLY B 23 -1.744 16.726 -12.086 1.00 25.00 C ATOM 665 O GLY B 23 -2.871 16.273 -11.903 1.00 25.00 O ATOM 0 H GLY B 23 -2.876 17.806 -14.631 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -0.755 17.597 -13.776 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -1.118 18.734 -12.493 1.00 25.00 H new ATOM 669 N PHE B 24 -0.664 16.219 -11.513 1.00 25.00 N ATOM 670 CA PHE B 24 -0.697 15.065 -10.617 1.00 25.00 C ATOM 671 C PHE B 24 0.643 15.076 -9.904 1.00 25.00 C ATOM 672 O PHE B 24 1.495 15.905 -10.232 1.00 25.00 O ATOM 673 CB PHE B 24 -0.846 13.768 -11.417 1.00 25.00 C ATOM 674 CG PHE B 24 0.259 13.536 -12.394 1.00 25.00 C ATOM 675 CD1 PHE B 24 0.162 14.024 -13.704 1.00 25.00 C ATOM 676 CD2 PHE B 24 1.402 12.816 -12.014 1.00 25.00 C ATOM 677 CE1 PHE B 24 1.201 13.807 -14.628 1.00 25.00 C ATOM 678 CE2 PHE B 24 2.445 12.581 -12.929 1.00 25.00 C ATOM 679 CZ PHE B 24 2.343 13.081 -14.245 1.00 25.00 C ATOM 0 H PHE B 24 0.272 16.598 -11.656 1.00 25.00 H new ATOM 0 HA PHE B 24 -1.537 15.117 -9.925 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.890 12.927 -10.725 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.795 13.789 -11.953 1.00 25.00 H new ATOM 0 HD1 PHE B 24 -0.718 14.572 -14.007 1.00 25.00 H new ATOM 0 HD2 PHE B 24 1.482 12.437 -11.006 1.00 25.00 H new ATOM 0 HE1 PHE B 24 1.121 14.198 -15.632 1.00 25.00 H new ATOM 0 HE2 PHE B 24 3.318 12.022 -12.626 1.00 25.00 H new ATOM 0 HZ PHE B 24 3.138 12.907 -14.955 1.00 25.00 H new ATOM 689 N PHE B 25 0.870 14.135 -8.999 1.00 25.00 N ATOM 690 CA PHE B 25 2.173 13.991 -8.365 1.00 25.00 C ATOM 691 C PHE B 25 2.617 12.539 -8.476 1.00 25.00 C ATOM 692 O PHE B 25 1.816 11.639 -8.707 1.00 25.00 O ATOM 693 CB PHE B 25 2.132 14.446 -6.897 1.00 25.00 C ATOM 694 CG PHE B 25 1.101 13.731 -6.064 1.00 25.00 C ATOM 695 CD1 PHE B 25 1.380 12.470 -5.498 1.00 25.00 C ATOM 696 CD2 PHE B 25 -0.153 14.324 -5.823 1.00 25.00 C ATOM 697 CE1 PHE B 25 0.411 11.800 -4.709 1.00 25.00 C ATOM 698 CE2 PHE B 25 -1.126 13.666 -5.035 1.00 25.00 C ATOM 699 CZ PHE B 25 -0.846 12.400 -4.482 1.00 25.00 C ATOM 0 H PHE B 25 0.171 13.461 -8.688 1.00 25.00 H new ATOM 0 HA PHE B 25 2.893 14.630 -8.876 1.00 25.00 H new ATOM 0 HB2 PHE B 25 3.115 14.292 -6.452 1.00 25.00 H new ATOM 0 HB3 PHE B 25 1.932 15.517 -6.864 1.00 25.00 H new ATOM 0 HD1 PHE B 25 2.342 12.010 -5.667 1.00 25.00 H new ATOM 0 HD2 PHE B 25 -0.375 15.293 -6.245 1.00 25.00 H new ATOM 0 HE1 PHE B 25 0.634 10.833 -4.283 1.00 25.00 H new ATOM 0 HE2 PHE B 25 -2.083 14.133 -4.857 1.00 25.00 H new ATOM 0 HZ PHE B 25 -1.590 11.891 -3.887 1.00 25.00 H new ATOM 709 N TYR B 26 3.911 12.320 -8.325 1.00 25.00 N ATOM 710 CA TYR B 26 4.483 10.984 -8.367 1.00 25.00 C ATOM 711 C TYR B 26 4.783 10.620 -6.926 1.00 25.00 C ATOM 712 O TYR B 26 5.003 11.504 -6.107 1.00 25.00 O ATOM 713 CB TYR B 26 5.764 10.986 -9.201 1.00 25.00 C ATOM 714 CG TYR B 26 6.354 9.607 -9.380 1.00 25.00 C ATOM 715 CD1 TYR B 26 5.830 8.722 -10.340 1.00 25.00 C ATOM 716 CD2 TYR B 26 7.430 9.170 -8.581 1.00 25.00 C ATOM 717 CE1 TYR B 26 6.373 7.425 -10.507 1.00 25.00 C ATOM 718 CE2 TYR B 26 7.970 7.865 -8.736 1.00 25.00 C ATOM 719 CZ TYR B 26 7.435 7.003 -9.700 1.00 25.00 C ATOM 720 OH TYR B 26 7.952 5.737 -9.857 1.00 25.00 O ATOM 0 H TYR B 26 4.595 13.061 -8.170 1.00 25.00 H new ATOM 0 HA TYR B 26 3.804 10.265 -8.825 1.00 25.00 H new ATOM 0 HB2 TYR B 26 5.552 11.415 -10.181 1.00 25.00 H new ATOM 0 HB3 TYR B 26 6.501 11.631 -8.723 1.00 25.00 H new ATOM 0 HD1 TYR B 26 5.002 9.036 -10.958 1.00 25.00 H new ATOM 0 HD2 TYR B 26 7.849 9.836 -7.841 1.00 25.00 H new ATOM 0 HE1 TYR B 26 5.968 6.762 -11.257 1.00 25.00 H new ATOM 0 HE2 TYR B 26 8.790 7.540 -8.113 1.00 25.00 H new ATOM 0 HH TYR B 26 7.487 5.282 -10.590 1.00 25.00 H new ATOM 730 N THR B 27 4.817 9.335 -6.620 1.00 25.00 N ATOM 731 CA THR B 27 5.154 8.865 -5.275 1.00 25.00 C ATOM 732 C THR B 27 6.593 8.310 -5.263 1.00 25.00 C ATOM 733 O THR B 27 6.822 7.142 -5.613 1.00 25.00 O ATOM 734 CB THR B 27 4.161 7.779 -4.817 1.00 25.00 C ATOM 735 OG1 THR B 27 4.108 6.735 -5.793 1.00 25.00 O ATOM 736 CG2 THR B 27 2.758 8.355 -4.669 1.00 25.00 C ATOM 0 H THR B 27 4.615 8.589 -7.285 1.00 25.00 H new ATOM 0 HA THR B 27 5.088 9.704 -4.582 1.00 25.00 H new ATOM 0 HB THR B 27 4.502 7.395 -3.856 1.00 25.00 H new ATOM 0 HG1 THR B 27 5.019 6.473 -6.042 1.00 25.00 H new ATOM 0 HG21 THR B 27 2.075 7.570 -4.345 1.00 25.00 H new ATOM 0 HG22 THR B 27 2.769 9.155 -3.928 1.00 25.00 H new ATOM 0 HG23 THR B 27 2.425 8.753 -5.628 1.00 25.00 H new ATOM 744 N PRO B 28 7.589 9.152 -4.912 1.00 25.00 N ATOM 745 CA PRO B 28 8.977 8.678 -4.927 1.00 25.00 C ATOM 746 C PRO B 28 9.308 7.800 -3.724 1.00 25.00 C ATOM 747 O PRO B 28 8.471 7.562 -2.861 1.00 25.00 O ATOM 748 CB PRO B 28 9.771 9.986 -4.877 1.00 25.00 C ATOM 749 CG PRO B 28 8.936 10.861 -4.048 1.00 25.00 C ATOM 750 CD PRO B 28 7.530 10.568 -4.497 1.00 25.00 C ATOM 0 HA PRO B 28 9.196 8.052 -5.792 1.00 25.00 H new ATOM 0 HB2 PRO B 28 10.758 9.840 -4.439 1.00 25.00 H new ATOM 0 HB3 PRO B 28 9.923 10.402 -5.873 1.00 25.00 H new ATOM 0 HG2 PRO B 28 9.067 10.648 -2.987 1.00 25.00 H new ATOM 0 HG3 PRO B 28 9.190 11.911 -4.196 1.00 25.00 H new ATOM 0 HD2 PRO B 28 6.811 10.721 -3.692 1.00 25.00 H new ATOM 0 HD3 PRO B 28 7.228 11.215 -5.320 1.00 25.00 H new ATOM 758 N LYS B 29 10.556 7.351 -3.651 1.00 25.00 N ATOM 759 CA LYS B 29 11.030 6.554 -2.521 1.00 25.00 C ATOM 760 C LYS B 29 12.144 7.322 -1.830 1.00 25.00 C ATOM 761 O LYS B 29 13.289 7.317 -2.267 1.00 25.00 O ATOM 762 CB LYS B 29 11.548 5.192 -2.995 1.00 25.00 C ATOM 763 CG LYS B 29 10.493 4.342 -3.709 1.00 25.00 C ATOM 764 CD LYS B 29 10.991 2.911 -3.980 1.00 25.00 C ATOM 765 CE LYS B 29 12.186 2.857 -4.953 1.00 25.00 C ATOM 766 NZ LYS B 29 11.862 3.421 -6.310 1.00 25.00 N ATOM 0 H LYS B 29 11.263 7.526 -4.365 1.00 25.00 H new ATOM 0 HA LYS B 29 10.207 6.376 -1.829 1.00 25.00 H new ATOM 0 HB2 LYS B 29 12.391 5.349 -3.668 1.00 25.00 H new ATOM 0 HB3 LYS B 29 11.926 4.638 -2.135 1.00 25.00 H new ATOM 0 HG2 LYS B 29 9.588 4.302 -3.102 1.00 25.00 H new ATOM 0 HG3 LYS B 29 10.223 4.817 -4.652 1.00 25.00 H new ATOM 0 HD2 LYS B 29 11.279 2.449 -3.036 1.00 25.00 H new ATOM 0 HD3 LYS B 29 10.172 2.319 -4.388 1.00 25.00 H new ATOM 0 HE2 LYS B 29 13.022 3.411 -4.525 1.00 25.00 H new ATOM 0 HE3 LYS B 29 12.512 1.823 -5.063 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 12.666 3.267 -6.951 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 11.019 2.946 -6.691 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 11.676 4.441 -6.227 1.00 25.00 H new ATOM 780 N THR B 30 11.804 8.026 -0.761 1.00 25.00 N ATOM 781 CA THR B 30 12.775 8.828 -0.014 1.00 25.00 C ATOM 782 C THR B 30 13.675 7.946 0.857 1.00 25.00 C ATOM 783 O THR B 30 13.495 7.728 2.038 1.00 25.00 O ATOM 784 CB THR B 30 12.033 9.879 0.837 1.00 25.00 C ATOM 785 OG1 THR B 30 10.981 9.208 1.522 1.00 25.00 O ATOM 786 CG2 THR B 30 11.386 10.956 -0.053 1.00 25.00 C ATOM 787 OXT THR B 30 14.634 7.379 0.185 1.00 25.00 O ATOM 0 H THR B 30 10.856 8.061 -0.385 1.00 25.00 H new ATOM 0 HA THR B 30 13.423 9.342 -0.724 1.00 25.00 H new ATOM 0 HB THR B 30 12.742 10.353 1.515 1.00 25.00 H new ATOM 0 HG1 THR B 30 11.355 8.485 2.067 1.00 25.00 H new ATOM 0 HG21 THR B 30 10.870 11.684 0.573 1.00 25.00 H new ATOM 0 HG22 THR B 30 12.158 11.460 -0.634 1.00 25.00 H new ATOM 0 HG23 THR B 30 10.671 10.488 -0.729 1.00 25.00 H new TER 796 THR B 30