USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 391 hydrogens (7 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= 0.742 K(o=1.5,f=-3.6!) USER MOD Set 1.2: B 5 HIS : no HE2:sc= 0.772 K(o=1.5,f=-1.9!) USER MOD Set 2.1: A 5 GLN : amide:sc= 0.782 K(o=1.7,f=-0.32) USER MOD Set 2.2: A 19 TYR OH : rot -17:sc= 0.903 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0366 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -43:sc= 0.107 USER MOD Single : A 9 SER OG : rot -26:sc= 0.715 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 18 ASN : amide:sc=-0.00931 X(o=-0.0093,f=-0.093) USER MOD Single : A 21 ASN : amide:sc= -0.0167 X(o=-0.017,f=-0.22) USER MOD Single : B 1 PHE N :NH3+ -99:sc= 0.31 (180deg=-0.623) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.11) USER MOD Single : B 16 TYR OH : rot 180:sc=-0.00646 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 155:sc= -0.14 (180deg=-0.965) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0236 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.369 -0.730 -0.087 1.00 25.00 N ATOM 2 CA GLY A 1 3.048 -1.202 -1.312 1.00 25.00 C ATOM 3 C GLY A 1 2.321 -0.866 -2.598 1.00 25.00 C ATOM 4 O GLY A 1 1.379 -0.103 -2.590 1.00 25.00 O ATOM 0 H1 GLY A 1 2.993 -0.075 0.426 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.489 -0.239 -0.345 1.00 25.00 H new ATOM 0 H3 GLY A 1 2.146 -1.543 0.522 1.00 25.00 H new ATOM 0 HA2 GLY A 1 4.047 -0.768 -1.349 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.172 -2.283 -1.251 1.00 25.00 H new ATOM 9 N ILE A 2 2.739 -1.497 -3.717 1.00 25.00 N ATOM 10 CA ILE A 2 2.253 -1.161 -5.081 1.00 25.00 C ATOM 11 C ILE A 2 0.747 -1.367 -5.253 1.00 25.00 C ATOM 12 O ILE A 2 0.067 -0.513 -5.771 1.00 25.00 O ATOM 13 CB ILE A 2 2.956 -2.053 -6.194 1.00 25.00 C ATOM 14 CG1 ILE A 2 4.503 -2.070 -5.975 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.601 -1.562 -7.636 1.00 25.00 C ATOM 16 CD1 ILE A 2 5.305 -2.923 -6.960 1.00 25.00 C ATOM 0 H ILE A 2 3.423 -2.254 -3.704 1.00 25.00 H new ATOM 0 HA ILE A 2 2.500 -0.106 -5.201 1.00 25.00 H new ATOM 0 HB ILE A 2 2.578 -3.071 -6.098 1.00 25.00 H new ATOM 0 HG12 ILE A 2 4.870 -1.045 -6.029 1.00 25.00 H new ATOM 0 HG13 ILE A 2 4.704 -2.428 -4.965 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.100 -2.196 -8.369 1.00 25.00 H new ATOM 0 HG22 ILE A 2 1.522 -1.616 -7.783 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.933 -0.531 -7.762 1.00 25.00 H new ATOM 0 HD11 ILE A 2 6.365 -2.862 -6.715 1.00 25.00 H new ATOM 0 HD12 ILE A 2 4.977 -3.960 -6.894 1.00 25.00 H new ATOM 0 HD13 ILE A 2 5.145 -2.556 -7.974 1.00 25.00 H new ATOM 28 N VAL A 3 0.241 -2.460 -4.753 1.00 25.00 N ATOM 29 CA VAL A 3 -1.158 -2.756 -4.897 1.00 25.00 C ATOM 30 C VAL A 3 -2.001 -1.712 -4.128 1.00 25.00 C ATOM 31 O VAL A 3 -2.974 -1.163 -4.639 1.00 25.00 O ATOM 32 CB VAL A 3 -1.489 -4.180 -4.372 1.00 25.00 C ATOM 33 CG1 VAL A 3 -2.995 -4.484 -4.534 1.00 25.00 C ATOM 34 CG2 VAL A 3 -0.657 -5.270 -5.148 1.00 25.00 C ATOM 0 H VAL A 3 0.777 -3.161 -4.242 1.00 25.00 H new ATOM 0 HA VAL A 3 -1.402 -2.715 -5.958 1.00 25.00 H new ATOM 0 HB VAL A 3 -1.225 -4.212 -3.315 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -3.206 -5.486 -4.160 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -3.576 -3.756 -3.968 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -3.267 -4.425 -5.588 1.00 25.00 H new ATOM 0 HG21 VAL A 3 -0.905 -6.259 -4.763 1.00 25.00 H new ATOM 0 HG22 VAL A 3 -0.897 -5.223 -6.210 1.00 25.00 H new ATOM 0 HG23 VAL A 3 0.408 -5.083 -5.008 1.00 25.00 H new ATOM 44 N GLU A 4 -1.590 -1.362 -2.907 1.00 25.00 N ATOM 45 CA GLU A 4 -2.380 -0.445 -2.027 1.00 25.00 C ATOM 46 C GLU A 4 -2.345 0.988 -2.510 1.00 25.00 C ATOM 47 O GLU A 4 -3.368 1.652 -2.508 1.00 25.00 O ATOM 48 CB GLU A 4 -1.814 -0.514 -0.591 1.00 25.00 C ATOM 49 CG GLU A 4 -2.630 0.197 0.423 1.00 25.00 C ATOM 50 CD GLU A 4 -4.083 -0.275 0.458 1.00 25.00 C ATOM 51 OE1 GLU A 4 -4.424 -1.403 0.715 1.00 25.00 O ATOM 52 OE2 GLU A 4 -4.952 0.623 0.150 1.00 25.00 O ATOM 0 H GLU A 4 -0.719 -1.690 -2.490 1.00 25.00 H new ATOM 0 HA GLU A 4 -3.419 -0.773 -2.052 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.724 -1.560 -0.299 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.808 -0.095 -0.589 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -2.183 0.053 1.407 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -2.606 1.267 0.215 1.00 25.00 H new ATOM 60 N GLN A 5 -1.186 1.382 -2.973 1.00 25.00 N ATOM 61 CA GLN A 5 -1.007 2.675 -3.633 1.00 25.00 C ATOM 62 C GLN A 5 -1.773 2.791 -4.947 1.00 25.00 C ATOM 63 O GLN A 5 -2.347 3.843 -5.230 1.00 25.00 O ATOM 64 CB GLN A 5 0.475 2.874 -3.879 1.00 25.00 C ATOM 65 CG GLN A 5 1.246 3.079 -2.567 1.00 25.00 C ATOM 66 CD GLN A 5 2.755 2.949 -2.758 1.00 25.00 C ATOM 67 OE1 GLN A 5 3.270 2.609 -3.833 1.00 25.00 O ATOM 68 NE2 GLN A 5 3.476 3.215 -1.700 1.00 25.00 N ATOM 0 H GLN A 5 -0.334 0.825 -2.909 1.00 25.00 H new ATOM 0 HA GLN A 5 -1.411 3.448 -2.979 1.00 25.00 H new ATOM 0 HB2 GLN A 5 0.876 2.008 -4.405 1.00 25.00 H new ATOM 0 HB3 GLN A 5 0.624 3.738 -4.527 1.00 25.00 H new ATOM 0 HG2 GLN A 5 1.016 4.065 -2.163 1.00 25.00 H new ATOM 0 HG3 GLN A 5 0.910 2.347 -1.832 1.00 25.00 H new ATOM 0 HE21 GLN A 5 3.022 3.492 -0.830 1.00 25.00 H new ATOM 0 HE22 GLN A 5 4.493 3.145 -1.745 1.00 25.00 H new ATOM 77 N CYS A 6 -1.773 1.730 -5.772 1.00 25.00 N ATOM 78 CA CYS A 6 -2.437 1.826 -7.090 1.00 25.00 C ATOM 79 C CYS A 6 -3.936 1.532 -7.101 1.00 25.00 C ATOM 80 O CYS A 6 -4.720 2.375 -7.545 1.00 25.00 O ATOM 81 CB CYS A 6 -1.742 0.948 -8.140 1.00 25.00 C ATOM 82 SG CYS A 6 -1.940 1.424 -9.891 1.00 25.00 S ATOM 0 H CYS A 6 -1.341 0.829 -5.566 1.00 25.00 H new ATOM 0 HA CYS A 6 -2.336 2.881 -7.344 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -0.676 0.931 -7.913 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.109 -0.072 -8.024 1.00 25.00 H new ATOM 87 N CYS A 7 -4.318 0.410 -6.532 1.00 25.00 N ATOM 88 CA CYS A 7 -5.698 -0.070 -6.536 1.00 25.00 C ATOM 89 C CYS A 7 -6.687 0.855 -5.783 1.00 25.00 C ATOM 90 O CYS A 7 -7.928 0.785 -6.016 1.00 25.00 O ATOM 91 CB CYS A 7 -5.752 -1.469 -5.942 1.00 25.00 C ATOM 92 SG CYS A 7 -7.244 -2.425 -6.242 1.00 25.00 S ATOM 0 H CYS A 7 -3.673 -0.211 -6.043 1.00 25.00 H new ATOM 0 HA CYS A 7 -6.019 -0.077 -7.578 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -4.904 -2.034 -6.329 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -5.614 -1.385 -4.864 1.00 25.00 H new ATOM 97 N THR A 8 -6.202 1.761 -4.953 1.00 25.00 N ATOM 98 CA THR A 8 -7.090 2.749 -4.283 1.00 25.00 C ATOM 99 C THR A 8 -7.632 3.832 -5.227 1.00 25.00 C ATOM 100 O THR A 8 -8.525 4.612 -4.881 1.00 25.00 O ATOM 101 CB THR A 8 -6.365 3.399 -3.091 1.00 25.00 C ATOM 102 OG1 THR A 8 -7.315 4.022 -2.240 1.00 25.00 O ATOM 103 CG2 THR A 8 -5.368 4.483 -3.521 1.00 25.00 C ATOM 0 H THR A 8 -5.214 1.849 -4.716 1.00 25.00 H new ATOM 0 HA THR A 8 -7.956 2.188 -3.931 1.00 25.00 H new ATOM 0 HB THR A 8 -5.822 2.599 -2.587 1.00 25.00 H new ATOM 0 HG1 THR A 8 -7.972 4.506 -2.782 1.00 25.00 H new ATOM 0 HG21 THR A 8 -4.887 4.906 -2.639 1.00 25.00 H new ATOM 0 HG22 THR A 8 -4.611 4.044 -4.171 1.00 25.00 H new ATOM 0 HG23 THR A 8 -5.896 5.270 -4.059 1.00 25.00 H new ATOM 111 N SER A 9 -7.134 3.784 -6.482 1.00 25.00 N ATOM 112 CA SER A 9 -7.491 4.735 -7.509 1.00 25.00 C ATOM 113 C SER A 9 -7.635 3.927 -8.786 1.00 25.00 C ATOM 114 O SER A 9 -7.437 2.703 -8.749 1.00 25.00 O ATOM 115 CB SER A 9 -6.347 5.765 -7.645 1.00 25.00 C ATOM 116 OG SER A 9 -5.187 5.136 -8.088 1.00 25.00 O ATOM 0 H SER A 9 -6.471 3.074 -6.793 1.00 25.00 H new ATOM 0 HA SER A 9 -8.411 5.275 -7.284 1.00 25.00 H new ATOM 0 HB2 SER A 9 -6.635 6.549 -8.345 1.00 25.00 H new ATOM 0 HB3 SER A 9 -6.165 6.247 -6.684 1.00 25.00 H new ATOM 0 HG SER A 9 -5.205 4.192 -7.824 1.00 25.00 H new ATOM 122 N ILE A 10 -7.877 4.592 -9.918 1.00 25.00 N ATOM 123 CA ILE A 10 -7.807 3.917 -11.231 1.00 25.00 C ATOM 124 C ILE A 10 -6.342 3.990 -11.622 1.00 25.00 C ATOM 125 O ILE A 10 -5.706 5.057 -11.626 1.00 25.00 O ATOM 126 CB ILE A 10 -8.733 4.587 -12.334 1.00 25.00 C ATOM 127 CG1 ILE A 10 -10.229 4.280 -12.084 1.00 25.00 C ATOM 128 CG2 ILE A 10 -8.341 4.094 -13.771 1.00 25.00 C ATOM 129 CD1 ILE A 10 -10.922 5.291 -11.109 1.00 25.00 C ATOM 0 H ILE A 10 -8.120 5.582 -9.961 1.00 25.00 H new ATOM 0 HA ILE A 10 -8.177 2.894 -11.161 1.00 25.00 H new ATOM 0 HB ILE A 10 -8.579 5.664 -12.265 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -10.757 4.288 -13.037 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.322 3.273 -11.676 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -8.990 4.567 -14.508 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -7.304 4.360 -13.977 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -8.456 3.012 -13.828 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.968 5.014 -10.981 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -10.419 5.267 -10.142 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -10.862 6.297 -11.525 1.00 25.00 H new ATOM 141 N CYS A 11 -5.798 2.834 -11.887 1.00 25.00 N ATOM 142 CA CYS A 11 -4.424 2.736 -12.282 1.00 25.00 C ATOM 143 C CYS A 11 -4.262 3.151 -13.698 1.00 25.00 C ATOM 144 O CYS A 11 -5.110 2.929 -14.531 1.00 25.00 O ATOM 145 CB CYS A 11 -3.965 1.287 -12.126 1.00 25.00 C ATOM 146 SG CYS A 11 -3.829 0.828 -10.370 1.00 25.00 S ATOM 0 H CYS A 11 -6.291 1.942 -11.835 1.00 25.00 H new ATOM 0 HA CYS A 11 -3.824 3.392 -11.652 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -4.671 0.623 -12.625 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -3.001 1.153 -12.616 1.00 25.00 H new ATOM 151 N SER A 12 -3.081 3.681 -13.956 1.00 25.00 N ATOM 152 CA SER A 12 -2.701 4.123 -15.296 1.00 25.00 C ATOM 153 C SER A 12 -1.274 3.651 -15.640 1.00 25.00 C ATOM 154 O SER A 12 -0.413 3.537 -14.795 1.00 25.00 O ATOM 155 CB SER A 12 -2.796 5.630 -15.363 1.00 25.00 C ATOM 156 OG SER A 12 -4.113 6.078 -15.070 1.00 25.00 O ATOM 0 H SER A 12 -2.357 3.819 -13.251 1.00 25.00 H new ATOM 0 HA SER A 12 -3.380 3.685 -16.028 1.00 25.00 H new ATOM 0 HB2 SER A 12 -2.093 6.073 -14.657 1.00 25.00 H new ATOM 0 HB3 SER A 12 -2.506 5.971 -16.357 1.00 25.00 H new ATOM 0 HG SER A 12 -4.144 7.056 -15.119 1.00 25.00 H new ATOM 162 N LEU A 13 -1.012 3.396 -16.913 1.00 25.00 N ATOM 163 CA LEU A 13 0.299 2.893 -17.445 1.00 25.00 C ATOM 164 C LEU A 13 1.443 3.832 -17.201 1.00 25.00 C ATOM 165 O LEU A 13 2.681 3.459 -16.971 1.00 25.00 O ATOM 166 CB LEU A 13 0.243 2.662 -18.970 1.00 25.00 C ATOM 167 CG LEU A 13 -0.789 1.563 -19.428 1.00 25.00 C ATOM 168 CD1 LEU A 13 -0.836 0.303 -18.483 1.00 25.00 C ATOM 169 CD2 LEU A 13 -2.181 2.120 -19.619 1.00 25.00 C ATOM 0 H LEU A 13 -1.709 3.529 -17.646 1.00 25.00 H new ATOM 0 HA LEU A 13 0.467 1.962 -16.904 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -0.008 3.604 -19.458 1.00 25.00 H new ATOM 0 HB3 LEU A 13 1.236 2.377 -19.318 1.00 25.00 H new ATOM 0 HG LEU A 13 -0.415 1.226 -20.395 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -1.569 -0.409 -18.862 1.00 25.00 H new ATOM 0 HD12 LEU A 13 0.147 -0.168 -18.455 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -1.119 0.613 -17.477 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -2.852 1.321 -19.934 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -2.536 2.542 -18.679 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -2.160 2.899 -20.382 1.00 25.00 H new ATOM 181 N TYR A 14 1.231 5.139 -17.210 1.00 25.00 N ATOM 182 CA TYR A 14 2.244 6.094 -16.803 1.00 25.00 C ATOM 183 C TYR A 14 2.641 5.933 -15.345 1.00 25.00 C ATOM 184 O TYR A 14 3.797 6.020 -14.967 1.00 25.00 O ATOM 185 CB TYR A 14 1.783 7.561 -17.058 1.00 25.00 C ATOM 186 CG TYR A 14 2.987 8.504 -17.276 1.00 25.00 C ATOM 187 CD1 TYR A 14 3.753 8.895 -16.214 1.00 25.00 C ATOM 188 CD2 TYR A 14 3.240 8.917 -18.537 1.00 25.00 C ATOM 189 CE1 TYR A 14 4.794 9.756 -16.362 1.00 25.00 C ATOM 190 CE2 TYR A 14 4.410 9.881 -18.823 1.00 25.00 C ATOM 191 CZ TYR A 14 5.185 10.280 -17.560 1.00 25.00 C ATOM 192 OH TYR A 14 6.226 11.101 -17.708 1.00 25.00 O ATOM 0 H TYR A 14 0.351 5.565 -17.500 1.00 25.00 H new ATOM 0 HA TYR A 14 3.119 5.883 -17.418 1.00 25.00 H new ATOM 0 HB2 TYR A 14 1.132 7.592 -17.932 1.00 25.00 H new ATOM 0 HB3 TYR A 14 1.194 7.911 -16.210 1.00 25.00 H new ATOM 0 HD1 TYR A 14 3.525 8.510 -15.231 1.00 25.00 H new ATOM 0 HD2 TYR A 14 2.619 8.570 -19.350 1.00 25.00 H new ATOM 0 HE1 TYR A 14 5.345 10.043 -15.479 1.00 25.00 H new ATOM 0 HE2 TYR A 14 4.658 10.239 -19.811 1.00 25.00 H new ATOM 0 HH TYR A 14 6.317 11.347 -18.652 1.00 25.00 H new ATOM 202 N GLN A 15 1.671 5.671 -14.444 1.00 25.00 N ATOM 203 CA GLN A 15 1.998 5.522 -13.046 1.00 25.00 C ATOM 204 C GLN A 15 2.725 4.196 -12.840 1.00 25.00 C ATOM 205 O GLN A 15 3.725 4.154 -12.154 1.00 25.00 O ATOM 206 CB GLN A 15 0.758 5.566 -12.135 1.00 25.00 C ATOM 207 CG GLN A 15 0.024 6.882 -12.109 1.00 25.00 C ATOM 208 CD GLN A 15 -1.249 6.771 -11.220 1.00 25.00 C ATOM 209 OE1 GLN A 15 -2.055 5.884 -11.447 1.00 25.00 O ATOM 210 NE2 GLN A 15 -1.382 7.615 -10.226 1.00 25.00 N ATOM 0 H GLN A 15 0.682 5.564 -14.671 1.00 25.00 H new ATOM 0 HA GLN A 15 2.633 6.364 -12.770 1.00 25.00 H new ATOM 0 HB2 GLN A 15 0.065 4.788 -12.455 1.00 25.00 H new ATOM 0 HB3 GLN A 15 1.065 5.320 -11.119 1.00 25.00 H new ATOM 0 HG2 GLN A 15 0.678 7.664 -11.724 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -0.255 7.171 -13.122 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -0.681 8.341 -10.076 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -2.186 7.546 -9.603 1.00 25.00 H new ATOM 219 N LEU A 16 2.256 3.140 -13.500 1.00 25.00 N ATOM 220 CA LEU A 16 2.892 1.833 -13.406 1.00 25.00 C ATOM 221 C LEU A 16 4.333 1.818 -13.811 1.00 25.00 C ATOM 222 O LEU A 16 5.108 1.055 -13.278 1.00 25.00 O ATOM 223 CB LEU A 16 2.114 0.797 -14.222 1.00 25.00 C ATOM 224 CG LEU A 16 0.723 0.425 -13.646 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.069 -0.465 -14.599 1.00 25.00 C ATOM 226 CD2 LEU A 16 0.837 -0.223 -12.310 1.00 25.00 C ATOM 0 H LEU A 16 1.436 3.166 -14.106 1.00 25.00 H new ATOM 0 HA LEU A 16 2.870 1.576 -12.347 1.00 25.00 H new ATOM 0 HB2 LEU A 16 1.982 1.178 -15.235 1.00 25.00 H new ATOM 0 HB3 LEU A 16 2.714 -0.110 -14.298 1.00 25.00 H new ATOM 0 HG LEU A 16 0.177 1.361 -13.527 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -1.037 -0.702 -14.156 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -0.220 0.057 -15.544 1.00 25.00 H new ATOM 0 HD13 LEU A 16 0.483 -1.388 -14.779 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.158 -0.469 -11.939 1.00 25.00 H new ATOM 0 HD22 LEU A 16 1.428 -1.135 -12.397 1.00 25.00 H new ATOM 0 HD23 LEU A 16 1.325 0.460 -11.615 1.00 25.00 H new ATOM 238 N GLU A 17 4.706 2.730 -14.731 1.00 25.00 N ATOM 239 CA GLU A 17 6.080 2.842 -15.143 1.00 25.00 C ATOM 240 C GLU A 17 7.004 3.216 -13.964 1.00 25.00 C ATOM 241 O GLU A 17 8.186 2.953 -14.008 1.00 25.00 O ATOM 242 CB GLU A 17 6.218 3.848 -16.262 1.00 25.00 C ATOM 243 CG GLU A 17 6.394 3.185 -17.642 1.00 25.00 C ATOM 244 CD GLU A 17 6.698 4.174 -18.752 1.00 25.00 C ATOM 245 OE1 GLU A 17 6.048 5.155 -18.934 1.00 25.00 O ATOM 246 OE2 GLU A 17 7.783 3.867 -19.438 1.00 25.00 O ATOM 0 H GLU A 17 4.068 3.383 -15.186 1.00 25.00 H new ATOM 0 HA GLU A 17 6.393 1.864 -15.508 1.00 25.00 H new ATOM 0 HB2 GLU A 17 5.335 4.487 -16.281 1.00 25.00 H new ATOM 0 HB3 GLU A 17 7.074 4.492 -16.062 1.00 25.00 H new ATOM 0 HG2 GLU A 17 7.201 2.454 -17.585 1.00 25.00 H new ATOM 0 HG3 GLU A 17 5.485 2.637 -17.892 1.00 25.00 H new ATOM 254 N ASN A 18 6.470 3.882 -12.933 1.00 25.00 N ATOM 255 CA ASN A 18 7.289 4.291 -11.753 1.00 25.00 C ATOM 256 C ASN A 18 7.718 3.091 -10.904 1.00 25.00 C ATOM 257 O ASN A 18 8.596 3.215 -10.088 1.00 25.00 O ATOM 258 CB ASN A 18 6.458 5.201 -10.859 1.00 25.00 C ATOM 259 CG ASN A 18 6.172 6.525 -11.486 1.00 25.00 C ATOM 260 OD1 ASN A 18 7.050 7.180 -12.005 1.00 25.00 O ATOM 261 ND2 ASN A 18 4.926 6.922 -11.465 1.00 25.00 N ATOM 0 H ASN A 18 5.488 4.153 -12.878 1.00 25.00 H new ATOM 0 HA ASN A 18 8.177 4.793 -12.137 1.00 25.00 H new ATOM 0 HB2 ASN A 18 5.516 4.706 -10.620 1.00 25.00 H new ATOM 0 HB3 ASN A 18 6.984 5.356 -9.917 1.00 25.00 H new ATOM 0 HD21 ASN A 18 4.666 7.810 -11.895 1.00 25.00 H new ATOM 0 HD22 ASN A 18 4.214 6.344 -11.019 1.00 25.00 H new ATOM 268 N TYR A 19 7.023 1.957 -11.059 1.00 25.00 N ATOM 269 CA TYR A 19 7.311 0.707 -10.335 1.00 25.00 C ATOM 270 C TYR A 19 8.119 -0.214 -11.270 1.00 25.00 C ATOM 271 O TYR A 19 8.496 -1.322 -10.911 1.00 25.00 O ATOM 272 CB TYR A 19 5.984 -0.007 -9.970 1.00 25.00 C ATOM 273 CG TYR A 19 5.086 0.872 -9.109 1.00 25.00 C ATOM 274 CD1 TYR A 19 5.342 1.007 -7.732 1.00 25.00 C ATOM 275 CD2 TYR A 19 3.955 1.558 -9.666 1.00 25.00 C ATOM 276 CE1 TYR A 19 4.547 1.816 -6.921 1.00 25.00 C ATOM 277 CE2 TYR A 19 3.112 2.364 -8.817 1.00 25.00 C ATOM 278 CZ TYR A 19 3.434 2.477 -7.446 1.00 25.00 C ATOM 279 OH TYR A 19 2.741 3.225 -6.565 1.00 25.00 O ATOM 0 H TYR A 19 6.233 1.878 -11.699 1.00 25.00 H new ATOM 0 HA TYR A 19 7.867 0.928 -9.424 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.456 -0.281 -10.883 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.204 -0.933 -9.438 1.00 25.00 H new ATOM 0 HD1 TYR A 19 6.172 0.473 -7.294 1.00 25.00 H new ATOM 0 HD2 TYR A 19 3.735 1.471 -10.720 1.00 25.00 H new ATOM 0 HE1 TYR A 19 4.794 1.933 -5.876 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.250 2.872 -9.222 1.00 25.00 H new ATOM 0 HH TYR A 19 2.981 2.962 -5.652 1.00 25.00 H new ATOM 289 N CYS A 20 8.336 0.264 -12.499 1.00 25.00 N ATOM 290 CA CYS A 20 9.075 -0.502 -13.527 1.00 25.00 C ATOM 291 C CYS A 20 10.572 -0.227 -13.283 1.00 25.00 C ATOM 292 O CYS A 20 10.873 0.714 -12.607 1.00 25.00 O ATOM 293 CB CYS A 20 8.714 -0.057 -14.991 1.00 25.00 C ATOM 294 SG CYS A 20 9.636 -0.854 -16.376 1.00 25.00 S ATOM 0 H CYS A 20 8.013 1.179 -12.814 1.00 25.00 H new ATOM 0 HA CYS A 20 8.814 -1.557 -13.443 1.00 25.00 H new ATOM 0 HB2 CYS A 20 7.651 -0.240 -15.146 1.00 25.00 H new ATOM 0 HB3 CYS A 20 8.866 1.020 -15.062 1.00 25.00 H new ATOM 299 N ASN A 21 11.455 -1.043 -13.880 1.00 25.00 N ATOM 300 CA ASN A 21 12.919 -0.989 -13.599 1.00 25.00 C ATOM 301 C ASN A 21 13.570 0.425 -13.820 1.00 25.00 C ATOM 302 O ASN A 21 14.497 0.853 -13.179 1.00 25.00 O ATOM 303 CB ASN A 21 13.632 -2.089 -14.433 1.00 25.00 C ATOM 304 CG ASN A 21 13.751 -1.641 -15.893 1.00 25.00 C ATOM 305 OD1 ASN A 21 12.803 -1.248 -16.517 1.00 25.00 O ATOM 306 ND2 ASN A 21 14.935 -1.767 -16.471 1.00 25.00 N ATOM 307 OXT ASN A 21 13.060 1.102 -14.832 1.00 25.00 O ATOM 0 H ASN A 21 11.191 -1.753 -14.563 1.00 25.00 H new ATOM 0 HA ASN A 21 13.052 -1.180 -12.534 1.00 25.00 H new ATOM 0 HB2 ASN A 21 14.622 -2.285 -14.022 1.00 25.00 H new ATOM 0 HB3 ASN A 21 13.072 -3.022 -14.374 1.00 25.00 H new ATOM 0 HD21 ASN A 21 15.049 -1.529 -17.456 1.00 25.00 H new ATOM 0 HD22 ASN A 21 15.733 -2.102 -15.931 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -3.653 -1.189 -20.654 1.00 25.00 N ATOM 317 CA PHE B 1 -4.088 -2.477 -20.025 1.00 25.00 C ATOM 318 C PHE B 1 -4.972 -2.283 -18.820 1.00 25.00 C ATOM 319 O PHE B 1 -4.518 -2.186 -17.692 1.00 25.00 O ATOM 320 CB PHE B 1 -2.839 -3.227 -19.596 1.00 25.00 C ATOM 321 CG PHE B 1 -1.797 -3.304 -20.678 1.00 25.00 C ATOM 322 CD1 PHE B 1 -2.032 -4.011 -21.828 1.00 25.00 C ATOM 323 CD2 PHE B 1 -0.566 -2.697 -20.441 1.00 25.00 C ATOM 324 CE1 PHE B 1 -1.011 -4.140 -22.797 1.00 25.00 C ATOM 325 CE2 PHE B 1 0.451 -2.821 -21.421 1.00 25.00 C ATOM 326 CZ PHE B 1 0.232 -3.519 -22.596 1.00 25.00 C ATOM 0 H1 PHE B 1 -4.255 -0.984 -21.477 1.00 25.00 H new ATOM 0 H2 PHE B 1 -3.738 -0.418 -19.961 1.00 25.00 H new ATOM 0 H3 PHE B 1 -2.663 -1.270 -20.961 1.00 25.00 H new ATOM 0 HA PHE B 1 -4.673 -3.027 -20.762 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -2.411 -2.737 -18.721 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -3.115 -4.237 -19.293 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -2.996 -4.469 -21.994 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -0.390 -2.144 -19.530 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -1.187 -4.717 -23.693 1.00 25.00 H new ATOM 0 HE2 PHE B 1 1.413 -2.363 -21.248 1.00 25.00 H new ATOM 0 HZ PHE B 1 1.006 -3.585 -23.347 1.00 25.00 H new ATOM 337 N VAL B 2 -6.292 -2.224 -19.124 1.00 25.00 N ATOM 338 CA VAL B 2 -7.403 -2.123 -18.158 1.00 25.00 C ATOM 339 C VAL B 2 -7.352 -0.832 -17.341 1.00 25.00 C ATOM 340 O VAL B 2 -6.613 -0.678 -16.387 1.00 25.00 O ATOM 341 CB VAL B 2 -7.470 -3.356 -17.214 1.00 25.00 C ATOM 342 CG1 VAL B 2 -8.802 -3.340 -16.392 1.00 25.00 C ATOM 343 CG2 VAL B 2 -7.346 -4.626 -18.020 1.00 25.00 C ATOM 0 H VAL B 2 -6.620 -2.247 -20.090 1.00 25.00 H new ATOM 0 HA VAL B 2 -8.314 -2.102 -18.756 1.00 25.00 H new ATOM 0 HB VAL B 2 -6.640 -3.313 -16.509 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -8.835 -4.209 -15.735 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -8.849 -2.431 -15.793 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -9.651 -3.369 -17.075 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -7.394 -5.487 -17.353 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -8.162 -4.680 -18.741 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -6.393 -4.630 -18.549 1.00 25.00 H new ATOM 353 N ASN B 3 -8.214 0.093 -17.735 1.00 25.00 N ATOM 354 CA ASN B 3 -8.291 1.437 -17.117 1.00 25.00 C ATOM 355 C ASN B 3 -9.221 1.449 -15.927 1.00 25.00 C ATOM 356 O ASN B 3 -10.247 2.117 -15.907 1.00 25.00 O ATOM 357 CB ASN B 3 -8.784 2.451 -18.144 1.00 25.00 C ATOM 358 CG ASN B 3 -7.845 2.563 -19.322 1.00 25.00 C ATOM 359 OD1 ASN B 3 -8.245 2.336 -20.450 1.00 25.00 O ATOM 360 ND2 ASN B 3 -6.619 2.941 -19.081 1.00 25.00 N ATOM 0 H ASN B 3 -8.885 -0.052 -18.490 1.00 25.00 H new ATOM 0 HA ASN B 3 -7.290 1.702 -16.775 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -9.774 2.160 -18.495 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -8.889 3.427 -17.669 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -5.960 3.055 -19.851 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -6.320 3.122 -18.123 1.00 25.00 H new ATOM 367 N GLN B 4 -8.907 0.613 -14.927 1.00 25.00 N ATOM 368 CA GLN B 4 -9.781 0.504 -13.728 1.00 25.00 C ATOM 369 C GLN B 4 -8.925 0.329 -12.471 1.00 25.00 C ATOM 370 O GLN B 4 -7.701 0.569 -12.526 1.00 25.00 O ATOM 371 CB GLN B 4 -10.800 -0.662 -13.928 1.00 25.00 C ATOM 372 CG GLN B 4 -12.277 -0.279 -13.788 1.00 25.00 C ATOM 373 CD GLN B 4 -12.682 -0.050 -12.346 1.00 25.00 C ATOM 374 OE1 GLN B 4 -12.256 -0.756 -11.455 1.00 25.00 O ATOM 375 NE2 GLN B 4 -13.535 0.903 -12.116 1.00 25.00 N ATOM 0 H GLN B 4 -8.081 0.014 -14.913 1.00 25.00 H new ATOM 0 HA GLN B 4 -10.356 1.421 -13.597 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -10.646 -1.090 -14.919 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -10.576 -1.445 -13.204 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -12.471 0.625 -14.365 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -12.896 -1.068 -14.215 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -13.875 1.480 -12.885 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -13.865 1.074 -11.166 1.00 25.00 H new ATOM 384 N HIS B 5 -9.522 -0.080 -11.366 1.00 25.00 N ATOM 385 CA HIS B 5 -8.800 -0.339 -10.142 1.00 25.00 C ATOM 386 C HIS B 5 -8.107 -1.675 -10.241 1.00 25.00 C ATOM 387 O HIS B 5 -8.703 -2.709 -9.927 1.00 25.00 O ATOM 388 CB HIS B 5 -9.842 -0.365 -8.987 1.00 25.00 C ATOM 389 CG HIS B 5 -10.467 0.974 -8.713 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.078 1.812 -7.641 1.00 25.00 N ATOM 391 CD2 HIS B 5 -11.506 1.636 -9.292 1.00 25.00 C ATOM 392 CE1 HIS B 5 -10.831 2.927 -7.665 1.00 25.00 C ATOM 393 NE2 HIS B 5 -11.706 2.801 -8.642 1.00 25.00 N ATOM 0 H HIS B 5 -10.527 -0.241 -11.296 1.00 25.00 H new ATOM 0 HA HIS B 5 -8.047 0.428 -9.961 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -10.627 -1.080 -9.233 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -9.357 -0.723 -8.079 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.346 1.605 -6.961 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.079 1.284 -10.137 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -10.735 3.774 -7.002 1.00 25.00 H new ATOM 402 N LEU B 6 -6.848 -1.667 -10.659 1.00 25.00 N ATOM 403 CA LEU B 6 -6.121 -2.934 -10.832 1.00 25.00 C ATOM 404 C LEU B 6 -5.620 -3.468 -9.495 1.00 25.00 C ATOM 405 O LEU B 6 -4.896 -2.779 -8.792 1.00 25.00 O ATOM 406 CB LEU B 6 -4.945 -2.715 -11.744 1.00 25.00 C ATOM 407 CG LEU B 6 -5.224 -2.798 -13.252 1.00 25.00 C ATOM 408 CD1 LEU B 6 -4.037 -2.155 -13.981 1.00 25.00 C ATOM 409 CD2 LEU B 6 -5.394 -4.249 -13.724 1.00 25.00 C ATOM 0 H LEU B 6 -6.314 -0.827 -10.881 1.00 25.00 H new ATOM 0 HA LEU B 6 -6.806 -3.664 -11.264 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -4.524 -1.733 -11.528 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -4.180 -3.451 -11.497 1.00 25.00 H new ATOM 0 HG LEU B 6 -6.156 -2.277 -13.472 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -4.204 -2.198 -15.057 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -3.939 -1.115 -13.670 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -3.123 -2.695 -13.734 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -5.590 -4.262 -14.796 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -4.483 -4.809 -13.515 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -6.231 -4.707 -13.197 1.00 25.00 H new ATOM 421 N CYS B 7 -6.030 -4.684 -9.152 1.00 25.00 N ATOM 422 CA CYS B 7 -5.662 -5.307 -7.861 1.00 25.00 C ATOM 423 C CYS B 7 -5.213 -6.733 -8.122 1.00 25.00 C ATOM 424 O CYS B 7 -5.450 -7.279 -9.234 1.00 25.00 O ATOM 425 CB CYS B 7 -6.901 -5.353 -6.938 1.00 25.00 C ATOM 426 SG CYS B 7 -6.873 -4.274 -5.488 1.00 25.00 S ATOM 0 H CYS B 7 -6.620 -5.269 -9.744 1.00 25.00 H new ATOM 0 HA CYS B 7 -4.867 -4.729 -7.390 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -7.778 -5.100 -7.533 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -7.033 -6.380 -6.596 1.00 25.00 H new HETATM 431 N AIB B 8 -4.608 -7.320 -7.073 1.00 25.00 N HETATM 432 CA AIB B 8 -4.112 -8.710 -6.990 1.00 25.00 C HETATM 433 C AIB B 8 -3.302 -9.047 -8.298 1.00 25.00 C HETATM 434 O AIB B 8 -2.489 -8.284 -8.789 1.00 25.00 O HETATM 435 CB1 AIB B 8 -5.303 -9.671 -6.702 1.00 25.00 C HETATM 436 CB2 AIB B 8 -3.114 -8.772 -5.822 1.00 25.00 C HETATM 0 H AIB B 8 -4.441 -6.807 -6.207 1.00 25.00 H new HETATM 0 HB11 AIB B 8 -4.937 -10.696 -6.641 1.00 25.00 H new HETATM 0 HB12 AIB B 8 -5.772 -9.396 -5.757 1.00 25.00 H new HETATM 0 HB13 AIB B 8 -6.035 -9.594 -7.506 1.00 25.00 H new HETATM 0 HB21 AIB B 8 -2.725 -9.786 -5.729 1.00 25.00 H new HETATM 0 HB22 AIB B 8 -2.290 -8.083 -6.010 1.00 25.00 H new HETATM 0 HB23 AIB B 8 -3.618 -8.491 -4.897 1.00 25.00 H new ATOM 444 N SER B 9 -3.500 -10.269 -8.843 1.00 25.00 N ATOM 445 CA SER B 9 -2.838 -10.794 -10.040 1.00 25.00 C ATOM 446 C SER B 9 -2.968 -9.851 -11.197 1.00 25.00 C ATOM 447 O SER B 9 -2.101 -9.710 -12.010 1.00 25.00 O ATOM 448 CB SER B 9 -3.464 -12.164 -10.380 1.00 25.00 C ATOM 449 OG SER B 9 -2.777 -12.698 -11.498 1.00 25.00 O ATOM 0 H SER B 9 -4.155 -10.938 -8.437 1.00 25.00 H new ATOM 0 HA SER B 9 -1.772 -10.907 -9.842 1.00 25.00 H new ATOM 0 HB2 SER B 9 -3.387 -12.839 -9.528 1.00 25.00 H new ATOM 0 HB3 SER B 9 -4.525 -12.052 -10.603 1.00 25.00 H new ATOM 0 HG SER B 9 -3.158 -13.570 -11.730 1.00 25.00 H new ATOM 455 N HIS B 10 -4.117 -9.147 -11.260 1.00 25.00 N ATOM 456 CA HIS B 10 -4.379 -8.316 -12.405 1.00 25.00 C ATOM 457 C HIS B 10 -3.421 -7.101 -12.445 1.00 25.00 C ATOM 458 O HIS B 10 -2.995 -6.676 -13.468 1.00 25.00 O ATOM 459 CB HIS B 10 -5.833 -7.856 -12.390 1.00 25.00 C ATOM 460 CG HIS B 10 -6.805 -8.890 -11.920 1.00 25.00 C ATOM 461 ND1 HIS B 10 -7.245 -9.956 -12.714 1.00 25.00 N ATOM 462 CD2 HIS B 10 -7.439 -9.057 -10.739 1.00 25.00 C ATOM 463 CE1 HIS B 10 -8.110 -10.685 -12.006 1.00 25.00 C ATOM 464 NE2 HIS B 10 -8.206 -10.166 -10.802 1.00 25.00 N ATOM 0 H HIS B 10 -4.845 -9.149 -10.545 1.00 25.00 H new ATOM 0 HA HIS B 10 -4.203 -8.904 -13.306 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -5.917 -6.979 -11.749 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -6.112 -7.543 -13.396 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -7.347 -8.407 -9.881 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -8.642 -11.555 -12.362 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -8.769 -10.541 -10.039 1.00 25.00 H new ATOM 473 N LEU B 11 -3.043 -6.599 -11.261 1.00 25.00 N ATOM 474 CA LEU B 11 -2.117 -5.511 -11.150 1.00 25.00 C ATOM 475 C LEU B 11 -0.715 -5.983 -11.545 1.00 25.00 C ATOM 476 O LEU B 11 0.020 -5.324 -12.270 1.00 25.00 O ATOM 477 CB LEU B 11 -2.137 -5.006 -9.692 1.00 25.00 C ATOM 478 CG LEU B 11 -1.277 -3.850 -9.174 1.00 25.00 C ATOM 479 CD1 LEU B 11 0.179 -4.310 -8.945 1.00 25.00 C ATOM 480 CD2 LEU B 11 -1.290 -2.607 -10.042 1.00 25.00 C ATOM 0 H LEU B 11 -3.382 -6.950 -10.365 1.00 25.00 H new ATOM 0 HA LEU B 11 -2.399 -4.698 -11.819 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -3.171 -4.736 -9.478 1.00 25.00 H new ATOM 0 HB3 LEU B 11 -1.897 -5.867 -9.068 1.00 25.00 H new ATOM 0 HG LEU B 11 -1.739 -3.561 -8.230 1.00 25.00 H new ATOM 0 HD11 LEU B 11 0.772 -3.472 -8.577 1.00 25.00 H new ATOM 0 HD12 LEU B 11 0.195 -5.116 -8.211 1.00 25.00 H new ATOM 0 HD13 LEU B 11 0.600 -4.667 -9.885 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -0.653 -1.844 -9.595 1.00 25.00 H new ATOM 0 HD22 LEU B 11 -0.917 -2.854 -11.036 1.00 25.00 H new ATOM 0 HD23 LEU B 11 -2.309 -2.228 -10.120 1.00 25.00 H new ATOM 492 N VAL B 12 -0.372 -7.215 -11.155 1.00 25.00 N ATOM 493 CA VAL B 12 0.939 -7.796 -11.479 1.00 25.00 C ATOM 494 C VAL B 12 1.022 -7.999 -12.980 1.00 25.00 C ATOM 495 O VAL B 12 2.005 -7.614 -13.629 1.00 25.00 O ATOM 496 CB VAL B 12 1.172 -9.133 -10.675 1.00 25.00 C ATOM 497 CG1 VAL B 12 2.400 -9.845 -11.158 1.00 25.00 C ATOM 498 CG2 VAL B 12 1.231 -8.911 -9.141 1.00 25.00 C ATOM 0 H VAL B 12 -0.981 -7.830 -10.615 1.00 25.00 H new ATOM 0 HA VAL B 12 1.737 -7.117 -11.179 1.00 25.00 H new ATOM 0 HB VAL B 12 0.304 -9.764 -10.867 1.00 25.00 H new ATOM 0 HG11 VAL B 12 2.537 -10.763 -10.587 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.288 -10.088 -12.215 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.270 -9.202 -11.024 1.00 25.00 H new ATOM 0 HG21 VAL B 12 1.393 -9.866 -8.641 1.00 25.00 H new ATOM 0 HG22 VAL B 12 2.051 -8.233 -8.903 1.00 25.00 H new ATOM 0 HG23 VAL B 12 0.291 -8.478 -8.800 1.00 25.00 H new ATOM 508 N GLU B 13 -0.039 -8.530 -13.565 1.00 25.00 N ATOM 509 CA GLU B 13 -0.059 -8.805 -15.031 1.00 25.00 C ATOM 510 C GLU B 13 0.065 -7.505 -15.799 1.00 25.00 C ATOM 511 O GLU B 13 0.860 -7.436 -16.713 1.00 25.00 O ATOM 512 CB GLU B 13 -1.394 -9.533 -15.334 1.00 25.00 C ATOM 513 CG GLU B 13 -1.684 -9.783 -16.814 1.00 25.00 C ATOM 514 CD GLU B 13 -3.079 -10.350 -17.040 1.00 25.00 C ATOM 515 OE1 GLU B 13 -3.279 -11.440 -17.441 1.00 25.00 O ATOM 516 OE2 GLU B 13 -4.037 -9.571 -16.705 1.00 25.00 O ATOM 0 H GLU B 13 -0.896 -8.784 -13.074 1.00 25.00 H new ATOM 0 HA GLU B 13 0.779 -9.432 -15.338 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.391 -10.491 -14.815 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -2.211 -8.946 -14.915 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -1.580 -8.849 -17.366 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -0.943 -10.474 -17.216 1.00 25.00 H new ATOM 524 N ALA B 14 -0.632 -6.465 -15.372 1.00 25.00 N ATOM 525 CA ALA B 14 -0.518 -5.142 -16.020 1.00 25.00 C ATOM 526 C ALA B 14 0.856 -4.538 -15.882 1.00 25.00 C ATOM 527 O ALA B 14 1.408 -4.035 -16.853 1.00 25.00 O ATOM 528 CB ALA B 14 -1.514 -4.189 -15.411 1.00 25.00 C ATOM 0 H ALA B 14 -1.282 -6.497 -14.586 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.715 -5.298 -17.081 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.426 -3.215 -15.892 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -2.523 -4.576 -15.556 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -1.314 -4.086 -14.344 1.00 25.00 H new ATOM 534 N LEU B 15 1.449 -4.638 -14.713 1.00 25.00 N ATOM 535 CA LEU B 15 2.821 -4.149 -14.520 1.00 25.00 C ATOM 536 C LEU B 15 3.765 -4.901 -15.450 1.00 25.00 C ATOM 537 O LEU B 15 4.633 -4.288 -16.051 1.00 25.00 O ATOM 538 CB LEU B 15 3.271 -4.307 -13.060 1.00 25.00 C ATOM 539 CG LEU B 15 3.991 -3.113 -12.377 1.00 25.00 C ATOM 540 CD1 LEU B 15 4.349 -3.536 -10.947 1.00 25.00 C ATOM 541 CD2 LEU B 15 5.253 -2.631 -13.070 1.00 25.00 C ATOM 0 H LEU B 15 1.020 -5.046 -13.883 1.00 25.00 H new ATOM 0 HA LEU B 15 2.845 -3.086 -14.759 1.00 25.00 H new ATOM 0 HB2 LEU B 15 2.390 -4.548 -12.465 1.00 25.00 H new ATOM 0 HB3 LEU B 15 3.936 -5.169 -13.009 1.00 25.00 H new ATOM 0 HG LEU B 15 3.297 -2.273 -12.419 1.00 25.00 H new ATOM 0 HD11 LEU B 15 4.857 -2.715 -10.441 1.00 25.00 H new ATOM 0 HD12 LEU B 15 3.439 -3.789 -10.404 1.00 25.00 H new ATOM 0 HD13 LEU B 15 5.006 -4.405 -10.978 1.00 25.00 H new ATOM 0 HD21 LEU B 15 5.677 -1.796 -12.513 1.00 25.00 H new ATOM 0 HD22 LEU B 15 5.978 -3.444 -13.113 1.00 25.00 H new ATOM 0 HD23 LEU B 15 5.011 -2.307 -14.082 1.00 25.00 H new ATOM 553 N TYR B 16 3.584 -6.211 -15.558 1.00 25.00 N ATOM 554 CA TYR B 16 4.458 -7.021 -16.428 1.00 25.00 C ATOM 555 C TYR B 16 4.329 -6.697 -17.893 1.00 25.00 C ATOM 556 O TYR B 16 5.273 -6.711 -18.672 1.00 25.00 O ATOM 557 CB TYR B 16 4.178 -8.525 -16.154 1.00 25.00 C ATOM 558 CG TYR B 16 4.953 -9.471 -16.988 1.00 25.00 C ATOM 559 CD1 TYR B 16 6.297 -9.751 -16.724 1.00 25.00 C ATOM 560 CD2 TYR B 16 4.345 -10.113 -18.080 1.00 25.00 C ATOM 561 CE1 TYR B 16 7.066 -10.627 -17.562 1.00 25.00 C ATOM 562 CE2 TYR B 16 5.106 -11.022 -18.947 1.00 25.00 C ATOM 563 CZ TYR B 16 6.459 -11.220 -18.664 1.00 25.00 C ATOM 564 OH TYR B 16 7.266 -12.047 -19.404 1.00 25.00 O ATOM 0 H TYR B 16 2.859 -6.736 -15.069 1.00 25.00 H new ATOM 0 HA TYR B 16 5.491 -6.776 -16.179 1.00 25.00 H new ATOM 0 HB2 TYR B 16 4.389 -8.733 -15.105 1.00 25.00 H new ATOM 0 HB3 TYR B 16 3.116 -8.715 -16.309 1.00 25.00 H new ATOM 0 HD1 TYR B 16 6.770 -9.296 -15.866 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.300 -9.935 -18.285 1.00 25.00 H new ATOM 0 HE1 TYR B 16 8.104 -10.823 -17.339 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.633 -11.523 -19.779 1.00 25.00 H new ATOM 0 HH TYR B 16 6.755 -12.417 -20.154 1.00 25.00 H new ATOM 574 N LEU B 17 3.090 -6.372 -18.268 1.00 25.00 N ATOM 575 CA LEU B 17 2.794 -6.056 -19.666 1.00 25.00 C ATOM 576 C LEU B 17 3.363 -4.716 -20.036 1.00 25.00 C ATOM 577 O LEU B 17 3.878 -4.533 -21.122 1.00 25.00 O ATOM 578 CB LEU B 17 1.291 -6.002 -19.938 1.00 25.00 C ATOM 579 CG LEU B 17 0.530 -7.312 -20.046 1.00 25.00 C ATOM 580 CD1 LEU B 17 -0.958 -7.081 -19.872 1.00 25.00 C ATOM 581 CD2 LEU B 17 0.811 -8.046 -21.310 1.00 25.00 C ATOM 0 H LEU B 17 2.290 -6.321 -17.637 1.00 25.00 H new ATOM 0 HA LEU B 17 3.244 -6.852 -20.260 1.00 25.00 H new ATOM 0 HB2 LEU B 17 0.831 -5.415 -19.143 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.141 -5.453 -20.868 1.00 25.00 H new ATOM 0 HG LEU B 17 0.886 -7.949 -19.236 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.486 -8.031 -19.953 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.146 -6.644 -18.891 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -1.314 -6.402 -20.647 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.238 -8.973 -21.328 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.526 -7.427 -22.161 1.00 25.00 H new ATOM 0 HD23 LEU B 17 1.875 -8.276 -21.368 1.00 25.00 H new ATOM 593 N VAL B 18 3.298 -3.761 -19.141 1.00 25.00 N ATOM 594 CA VAL B 18 3.807 -2.436 -19.473 1.00 25.00 C ATOM 595 C VAL B 18 5.309 -2.329 -19.297 1.00 25.00 C ATOM 596 O VAL B 18 5.910 -1.560 -19.999 1.00 25.00 O ATOM 597 CB VAL B 18 3.074 -1.281 -18.674 1.00 25.00 C ATOM 598 CG1 VAL B 18 3.483 -1.221 -17.226 1.00 25.00 C ATOM 599 CG2 VAL B 18 3.294 0.032 -19.399 1.00 25.00 C ATOM 0 H VAL B 18 2.912 -3.861 -18.202 1.00 25.00 H new ATOM 0 HA VAL B 18 3.584 -2.300 -20.531 1.00 25.00 H new ATOM 0 HB VAL B 18 2.006 -1.496 -18.648 1.00 25.00 H new ATOM 0 HG11 VAL B 18 2.948 -0.411 -16.730 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.241 -2.166 -16.740 1.00 25.00 H new ATOM 0 HG13 VAL B 18 4.556 -1.042 -17.158 1.00 25.00 H new ATOM 0 HG21 VAL B 18 2.794 0.835 -18.858 1.00 25.00 H new ATOM 0 HG22 VAL B 18 4.362 0.243 -19.454 1.00 25.00 H new ATOM 0 HG23 VAL B 18 2.885 -0.036 -20.407 1.00 25.00 H new ATOM 609 N CYS B 19 5.897 -3.001 -18.320 1.00 25.00 N ATOM 610 CA CYS B 19 7.362 -2.911 -18.057 1.00 25.00 C ATOM 611 C CYS B 19 8.113 -3.783 -19.023 1.00 25.00 C ATOM 612 O CYS B 19 9.239 -3.456 -19.407 1.00 25.00 O ATOM 613 CB CYS B 19 7.697 -3.264 -16.576 1.00 25.00 C ATOM 614 SG CYS B 19 9.441 -2.875 -16.096 1.00 25.00 S ATOM 0 H CYS B 19 5.398 -3.622 -17.683 1.00 25.00 H new ATOM 0 HA CYS B 19 7.680 -1.880 -18.212 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.019 -2.719 -15.919 1.00 25.00 H new ATOM 0 HB3 CYS B 19 7.513 -4.326 -16.414 1.00 25.00 H new ATOM 619 N GLY B 20 7.551 -4.934 -19.392 1.00 25.00 N ATOM 620 CA GLY B 20 8.220 -5.813 -20.367 1.00 25.00 C ATOM 621 C GLY B 20 8.488 -7.182 -19.828 1.00 25.00 C ATOM 622 O GLY B 20 8.237 -7.473 -18.676 1.00 25.00 O ATOM 0 H GLY B 20 6.656 -5.279 -19.044 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.600 -5.894 -21.260 1.00 25.00 H new ATOM 0 HA3 GLY B 20 9.162 -5.358 -20.673 1.00 25.00 H new ATOM 626 N GLU B 21 8.969 -8.045 -20.718 1.00 25.00 N ATOM 627 CA GLU B 21 9.190 -9.429 -20.368 1.00 25.00 C ATOM 628 C GLU B 21 10.335 -9.639 -19.403 1.00 25.00 C ATOM 629 O GLU B 21 10.445 -10.706 -18.795 1.00 25.00 O ATOM 630 CB GLU B 21 9.422 -10.235 -21.604 1.00 25.00 C ATOM 631 CG GLU B 21 8.206 -10.445 -22.426 1.00 25.00 C ATOM 632 CD GLU B 21 8.505 -11.276 -23.653 1.00 25.00 C ATOM 633 OE1 GLU B 21 9.591 -11.654 -23.960 1.00 25.00 O ATOM 634 OE2 GLU B 21 7.460 -11.562 -24.371 1.00 25.00 O ATOM 0 H GLU B 21 9.210 -7.805 -21.680 1.00 25.00 H new ATOM 0 HA GLU B 21 8.287 -9.761 -19.855 1.00 25.00 H new ATOM 0 HB2 GLU B 21 10.178 -9.738 -22.212 1.00 25.00 H new ATOM 0 HB3 GLU B 21 9.828 -11.206 -21.321 1.00 25.00 H new ATOM 0 HG2 GLU B 21 7.441 -10.940 -21.827 1.00 25.00 H new ATOM 0 HG3 GLU B 21 7.799 -9.480 -22.729 1.00 25.00 H new ATOM 642 N ARG B 22 11.217 -8.630 -19.250 1.00 25.00 N ATOM 643 CA ARG B 22 12.373 -8.761 -18.361 1.00 25.00 C ATOM 644 C ARG B 22 11.937 -8.613 -16.879 1.00 25.00 C ATOM 645 O ARG B 22 12.750 -8.718 -15.983 1.00 25.00 O ATOM 646 CB ARG B 22 13.411 -7.691 -18.737 1.00 25.00 C ATOM 647 CG ARG B 22 13.715 -7.519 -20.263 1.00 25.00 C ATOM 648 CD ARG B 22 13.994 -8.822 -20.990 1.00 25.00 C ATOM 649 NE ARG B 22 15.105 -9.532 -20.342 1.00 25.00 N ATOM 650 CZ ARG B 22 15.587 -10.708 -20.685 1.00 25.00 C ATOM 651 NH1 ARG B 22 15.129 -11.350 -21.733 1.00 25.00 N ATOM 652 NH2 ARG B 22 16.551 -11.214 -19.996 1.00 25.00 N ATOM 0 H ARG B 22 11.147 -7.731 -19.726 1.00 25.00 H new ATOM 0 HA ARG B 22 12.817 -9.750 -18.477 1.00 25.00 H new ATOM 0 HB2 ARG B 22 13.069 -6.732 -18.347 1.00 25.00 H new ATOM 0 HB3 ARG B 22 14.345 -7.928 -18.228 1.00 25.00 H new ATOM 0 HG2 ARG B 22 12.868 -7.025 -20.738 1.00 25.00 H new ATOM 0 HG3 ARG B 22 14.575 -6.859 -20.379 1.00 25.00 H new ATOM 0 HD2 ARG B 22 13.101 -9.448 -20.988 1.00 25.00 H new ATOM 0 HD3 ARG B 22 14.239 -8.621 -22.033 1.00 25.00 H new ATOM 0 HE ARG B 22 15.546 -9.068 -19.548 1.00 25.00 H new ATOM 0 HH11 ARG B 22 14.386 -10.939 -22.299 1.00 25.00 H new ATOM 0 HH12 ARG B 22 15.516 -12.260 -21.983 1.00 25.00 H new ATOM 0 HH21 ARG B 22 16.930 -10.704 -19.198 1.00 25.00 H new ATOM 0 HH22 ARG B 22 16.936 -12.124 -20.249 1.00 25.00 H new ATOM 666 N GLY B 23 10.638 -8.399 -16.649 1.00 25.00 N ATOM 667 CA GLY B 23 10.109 -8.198 -15.312 1.00 25.00 C ATOM 668 C GLY B 23 10.346 -6.746 -14.863 1.00 25.00 C ATOM 669 O GLY B 23 10.812 -5.917 -15.675 1.00 25.00 O ATOM 0 H GLY B 23 9.933 -8.362 -17.385 1.00 25.00 H new ATOM 0 HA2 GLY B 23 9.042 -8.422 -15.297 1.00 25.00 H new ATOM 0 HA3 GLY B 23 10.589 -8.885 -14.615 1.00 25.00 H new ATOM 673 N PHE B 24 9.985 -6.394 -13.636 1.00 25.00 N ATOM 674 CA PHE B 24 10.128 -5.028 -13.164 1.00 25.00 C ATOM 675 C PHE B 24 11.002 -4.838 -11.950 1.00 25.00 C ATOM 676 O PHE B 24 11.770 -3.926 -11.883 1.00 25.00 O ATOM 677 CB PHE B 24 8.750 -4.459 -12.823 1.00 25.00 C ATOM 678 CG PHE B 24 7.798 -5.475 -12.266 1.00 25.00 C ATOM 679 CD1 PHE B 24 7.714 -5.717 -10.893 1.00 25.00 C ATOM 680 CD2 PHE B 24 6.928 -6.159 -13.159 1.00 25.00 C ATOM 681 CE1 PHE B 24 6.827 -6.648 -10.389 1.00 25.00 C ATOM 682 CE2 PHE B 24 5.993 -7.090 -12.622 1.00 25.00 C ATOM 683 CZ PHE B 24 5.945 -7.345 -11.246 1.00 25.00 C ATOM 0 H PHE B 24 9.591 -7.038 -12.951 1.00 25.00 H new ATOM 0 HA PHE B 24 10.620 -4.510 -13.987 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.869 -3.652 -12.101 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.315 -4.021 -13.722 1.00 25.00 H new ATOM 0 HD1 PHE B 24 8.352 -5.168 -10.216 1.00 25.00 H new ATOM 0 HD2 PHE B 24 6.975 -5.976 -14.222 1.00 25.00 H new ATOM 0 HE1 PHE B 24 6.807 -6.846 -9.327 1.00 25.00 H new ATOM 0 HE2 PHE B 24 5.313 -7.605 -13.284 1.00 25.00 H new ATOM 0 HZ PHE B 24 5.245 -8.063 -10.846 1.00 25.00 H new ATOM 693 N PHE B 25 10.867 -5.730 -10.973 1.00 25.00 N ATOM 694 CA PHE B 25 11.589 -5.621 -9.734 1.00 25.00 C ATOM 695 C PHE B 25 11.729 -7.019 -9.125 1.00 25.00 C ATOM 696 O PHE B 25 10.981 -7.944 -9.474 1.00 25.00 O ATOM 697 CB PHE B 25 10.786 -4.771 -8.756 1.00 25.00 C ATOM 698 CG PHE B 25 11.654 -3.883 -7.940 1.00 25.00 C ATOM 699 CD1 PHE B 25 12.162 -2.684 -8.495 1.00 25.00 C ATOM 700 CD2 PHE B 25 11.975 -4.237 -6.651 1.00 25.00 C ATOM 701 CE1 PHE B 25 12.974 -1.832 -7.718 1.00 25.00 C ATOM 702 CE2 PHE B 25 12.794 -3.406 -5.844 1.00 25.00 C ATOM 703 CZ PHE B 25 13.303 -2.146 -6.396 1.00 25.00 C ATOM 0 H PHE B 25 10.253 -6.542 -11.029 1.00 25.00 H new ATOM 0 HA PHE B 25 12.565 -5.172 -9.919 1.00 25.00 H new ATOM 0 HB2 PHE B 25 10.067 -4.166 -9.309 1.00 25.00 H new ATOM 0 HB3 PHE B 25 10.213 -5.423 -8.096 1.00 25.00 H new ATOM 0 HD1 PHE B 25 11.927 -2.421 -9.516 1.00 25.00 H new ATOM 0 HD2 PHE B 25 11.597 -5.164 -6.246 1.00 25.00 H new ATOM 0 HE1 PHE B 25 13.350 -0.918 -8.153 1.00 25.00 H new ATOM 0 HE2 PHE B 25 13.040 -3.698 -4.834 1.00 25.00 H new ATOM 0 HZ PHE B 25 13.912 -1.482 -5.800 1.00 25.00 H new ATOM 713 N TYR B 26 12.644 -7.185 -8.223 1.00 25.00 N ATOM 714 CA TYR B 26 12.819 -8.435 -7.460 1.00 25.00 C ATOM 715 C TYR B 26 12.729 -8.040 -5.980 1.00 25.00 C ATOM 716 O TYR B 26 13.313 -7.050 -5.586 1.00 25.00 O ATOM 717 CB TYR B 26 14.173 -9.063 -7.724 1.00 25.00 C ATOM 718 CG TYR B 26 14.251 -9.802 -8.990 1.00 25.00 C ATOM 719 CD1 TYR B 26 13.603 -11.056 -9.160 1.00 25.00 C ATOM 720 CD2 TYR B 26 15.030 -9.308 -10.059 1.00 25.00 C ATOM 721 CE1 TYR B 26 13.708 -11.790 -10.405 1.00 25.00 C ATOM 722 CE2 TYR B 26 15.147 -10.023 -11.325 1.00 25.00 C ATOM 723 CZ TYR B 26 14.496 -11.257 -11.466 1.00 25.00 C ATOM 724 OH TYR B 26 14.676 -11.933 -12.648 1.00 25.00 O ATOM 0 H TYR B 26 13.315 -6.459 -7.973 1.00 25.00 H new ATOM 0 HA TYR B 26 12.062 -9.165 -7.748 1.00 25.00 H new ATOM 0 HB2 TYR B 26 14.931 -8.280 -7.725 1.00 25.00 H new ATOM 0 HB3 TYR B 26 14.414 -9.740 -6.904 1.00 25.00 H new ATOM 0 HD1 TYR B 26 13.023 -11.468 -8.348 1.00 25.00 H new ATOM 0 HD2 TYR B 26 15.555 -8.372 -9.936 1.00 25.00 H new ATOM 0 HE1 TYR B 26 13.194 -12.732 -10.528 1.00 25.00 H new ATOM 0 HE2 TYR B 26 15.724 -9.610 -12.139 1.00 25.00 H new ATOM 0 HH TYR B 26 15.244 -11.403 -13.245 1.00 25.00 H new ATOM 734 N THR B 27 11.988 -8.779 -5.169 1.00 25.00 N ATOM 735 CA THR B 27 11.876 -8.519 -3.736 1.00 25.00 C ATOM 736 C THR B 27 11.816 -9.873 -3.051 1.00 25.00 C ATOM 737 O THR B 27 11.507 -10.898 -3.732 1.00 25.00 O ATOM 738 CB THR B 27 10.635 -7.598 -3.435 1.00 25.00 C ATOM 739 OG1 THR B 27 10.625 -7.139 -2.086 1.00 25.00 O ATOM 740 CG2 THR B 27 9.290 -8.310 -3.682 1.00 25.00 C ATOM 0 H THR B 27 11.443 -9.581 -5.485 1.00 25.00 H new ATOM 0 HA THR B 27 12.732 -7.966 -3.350 1.00 25.00 H new ATOM 0 HB THR B 27 10.740 -6.760 -4.124 1.00 25.00 H new ATOM 0 HG1 THR B 27 9.841 -6.570 -1.940 1.00 25.00 H new ATOM 0 HG21 THR B 27 8.470 -7.627 -3.458 1.00 25.00 H new ATOM 0 HG22 THR B 27 9.229 -8.621 -4.725 1.00 25.00 H new ATOM 0 HG23 THR B 27 9.218 -9.186 -3.038 1.00 25.00 H new ATOM 748 N LYS B 28 12.144 -9.926 -1.760 1.00 25.00 N ATOM 749 CA LYS B 28 12.171 -11.200 -1.009 1.00 25.00 C ATOM 750 C LYS B 28 10.869 -11.426 -0.248 1.00 25.00 C ATOM 751 O LYS B 28 10.567 -10.663 0.652 1.00 25.00 O ATOM 752 CB LYS B 28 13.276 -11.192 0.034 1.00 25.00 C ATOM 753 CG LYS B 28 14.676 -11.183 -0.570 1.00 25.00 C ATOM 754 CD LYS B 28 15.784 -11.115 0.542 1.00 25.00 C ATOM 755 CE LYS B 28 15.906 -12.461 1.280 1.00 25.00 C ATOM 756 NZ LYS B 28 16.264 -13.508 0.286 1.00 25.00 N ATOM 0 H LYS B 28 12.396 -9.108 -1.205 1.00 25.00 H new ATOM 0 HA LYS B 28 12.329 -11.984 -1.749 1.00 25.00 H new ATOM 0 HB2 LYS B 28 13.158 -10.316 0.672 1.00 25.00 H new ATOM 0 HB3 LYS B 28 13.169 -12.069 0.673 1.00 25.00 H new ATOM 0 HG2 LYS B 28 14.819 -12.080 -1.173 1.00 25.00 H new ATOM 0 HG3 LYS B 28 14.779 -10.329 -1.240 1.00 25.00 H new ATOM 0 HD2 LYS B 28 16.742 -10.855 0.091 1.00 25.00 H new ATOM 0 HD3 LYS B 28 15.542 -10.326 1.254 1.00 25.00 H new ATOM 0 HE2 LYS B 28 16.667 -12.400 2.058 1.00 25.00 H new ATOM 0 HE3 LYS B 28 14.966 -12.711 1.773 1.00 25.00 H new ATOM 0 HZ1 LYS B 28 16.753 -14.290 0.766 1.00 25.00 H new ATOM 0 HZ2 LYS B 28 15.399 -13.867 -0.167 1.00 25.00 H new ATOM 0 HZ3 LYS B 28 16.890 -13.100 -0.437 1.00 25.00 H new ATOM 770 N PRO B 29 10.101 -12.467 -0.582 1.00 25.00 N ATOM 771 CA PRO B 29 8.878 -12.722 0.237 1.00 25.00 C ATOM 772 C PRO B 29 9.218 -13.302 1.593 1.00 25.00 C ATOM 773 O PRO B 29 9.669 -14.437 1.727 1.00 25.00 O ATOM 774 CB PRO B 29 8.112 -13.755 -0.590 1.00 25.00 C ATOM 775 CG PRO B 29 9.181 -14.489 -1.350 1.00 25.00 C ATOM 776 CD PRO B 29 10.275 -13.483 -1.651 1.00 25.00 C ATOM 0 HA PRO B 29 8.319 -11.807 0.436 1.00 25.00 H new ATOM 0 HB2 PRO B 29 7.542 -14.431 0.047 1.00 25.00 H new ATOM 0 HB3 PRO B 29 7.401 -13.277 -1.264 1.00 25.00 H new ATOM 0 HG2 PRO B 29 9.571 -15.320 -0.763 1.00 25.00 H new ATOM 0 HG3 PRO B 29 8.780 -14.911 -2.271 1.00 25.00 H new ATOM 0 HD2 PRO B 29 11.264 -13.940 -1.616 1.00 25.00 H new ATOM 0 HD3 PRO B 29 10.160 -13.048 -2.644 1.00 25.00 H new ATOM 784 N THR B 30 9.054 -12.523 2.643 1.00 25.00 N ATOM 785 CA THR B 30 9.424 -12.970 3.980 1.00 25.00 C ATOM 786 C THR B 30 8.422 -13.897 4.637 1.00 25.00 C ATOM 787 O THR B 30 7.264 -13.708 4.718 1.00 25.00 O ATOM 788 CB THR B 30 9.735 -11.791 4.938 1.00 25.00 C ATOM 789 OG1 THR B 30 8.697 -10.831 4.731 1.00 25.00 O ATOM 790 CG2 THR B 30 11.099 -11.096 4.522 1.00 25.00 C ATOM 791 OXT THR B 30 8.958 -14.936 5.152 1.00 25.00 O ATOM 0 H THR B 30 8.669 -11.580 2.602 1.00 25.00 H new ATOM 0 HA THR B 30 10.332 -13.548 3.810 1.00 25.00 H new ATOM 0 HB THR B 30 9.802 -12.142 5.968 1.00 25.00 H new ATOM 0 HG1 THR B 30 8.844 -10.059 5.317 1.00 25.00 H new ATOM 0 HG21 THR B 30 11.308 -10.269 5.201 1.00 25.00 H new ATOM 0 HG22 THR B 30 11.909 -11.823 4.575 1.00 25.00 H new ATOM 0 HG23 THR B 30 11.018 -10.717 3.503 1.00 25.00 H new TER 800 THR B 30