USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 379 hydrogens (14 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 NoAdj-H: B 26 NVA HD2 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 26 NVA HD1 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 26 NVA H2 : B 26 NVA N : B 25 PHE C :(H bumps) USER MOD Set 1.1: B 4 GLN : amide:sc=0.000561 K(o=0.00056,f=-0.88) USER MOD Set 1.2: B 10 HIS : no HD1:sc= 0 X(o=0.00056,f=-0.062) USER MOD Single : A 1 GLY N :NH3+ -167:sc= 0 (180deg=-0.239) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0575 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0813 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc=-0.00707 K(o=-0.0071,f=-1.1) USER MOD Single : A 18 ASN : amide:sc=-0.00078 X(o=-0.00078,f=-0.0047) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.259 X(o=0.26,f=-0.083) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.988 K(o=-0.99,f=-1.6!) USER MOD Single : B 5 HIS : no HE2:sc= 0.0746 K(o=0.075,f=-0.83) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0188 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.00172 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.086 -0.860 -0.504 1.00 25.00 N ATOM 2 CA GLY A 1 1.149 -0.640 -1.532 1.00 25.00 C ATOM 3 C GLY A 1 0.658 -0.376 -2.954 1.00 25.00 C ATOM 4 O GLY A 1 -0.512 -0.339 -3.250 1.00 25.00 O ATOM 0 H1 GLY A 1 0.506 -0.810 0.446 1.00 25.00 H new ATOM 0 H2 GLY A 1 -0.645 -0.127 -0.598 1.00 25.00 H new ATOM 0 H3 GLY A 1 -0.343 -1.797 -0.644 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.762 0.205 -1.217 1.00 25.00 H new ATOM 0 HA3 GLY A 1 1.798 -1.516 -1.549 1.00 25.00 H new ATOM 9 N ILE A 2 1.601 -0.344 -3.915 1.00 25.00 N ATOM 10 CA ILE A 2 1.249 -0.155 -5.326 1.00 25.00 C ATOM 11 C ILE A 2 0.292 -1.242 -5.854 1.00 25.00 C ATOM 12 O ILE A 2 -0.572 -0.977 -6.688 1.00 25.00 O ATOM 13 CB ILE A 2 2.521 -0.078 -6.243 1.00 25.00 C ATOM 14 CG1 ILE A 2 2.181 0.440 -7.646 1.00 25.00 C ATOM 15 CG2 ILE A 2 3.287 -1.447 -6.307 1.00 25.00 C ATOM 16 CD1 ILE A 2 1.656 1.853 -7.672 1.00 25.00 C ATOM 0 H ILE A 2 2.600 -0.446 -3.738 1.00 25.00 H new ATOM 0 HA ILE A 2 0.726 0.801 -5.369 1.00 25.00 H new ATOM 0 HB ILE A 2 3.195 0.645 -5.783 1.00 25.00 H new ATOM 0 HG12 ILE A 2 3.074 0.385 -8.268 1.00 25.00 H new ATOM 0 HG13 ILE A 2 1.439 -0.220 -8.095 1.00 25.00 H new ATOM 0 HG21 ILE A 2 4.159 -1.346 -6.953 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.608 -1.731 -5.305 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.626 -2.215 -6.708 1.00 25.00 H new ATOM 0 HD11 ILE A 2 1.440 2.142 -8.701 1.00 25.00 H new ATOM 0 HD12 ILE A 2 0.743 1.913 -7.079 1.00 25.00 H new ATOM 0 HD13 ILE A 2 2.404 2.527 -7.255 1.00 25.00 H new ATOM 28 N VAL A 3 0.417 -2.473 -5.358 1.00 25.00 N ATOM 29 CA VAL A 3 -0.470 -3.534 -5.827 1.00 25.00 C ATOM 30 C VAL A 3 -1.895 -3.234 -5.328 1.00 25.00 C ATOM 31 O VAL A 3 -2.880 -3.363 -6.065 1.00 25.00 O ATOM 32 CB VAL A 3 0.004 -4.905 -5.279 1.00 25.00 C ATOM 33 CG1 VAL A 3 -0.903 -6.046 -5.773 1.00 25.00 C ATOM 34 CG2 VAL A 3 1.505 -5.161 -5.671 1.00 25.00 C ATOM 0 H VAL A 3 1.100 -2.754 -4.655 1.00 25.00 H new ATOM 0 HA VAL A 3 -0.456 -3.575 -6.916 1.00 25.00 H new ATOM 0 HB VAL A 3 -0.066 -4.881 -4.192 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -0.545 -6.995 -5.372 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -1.924 -5.871 -5.435 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -0.882 -6.082 -6.862 1.00 25.00 H new ATOM 0 HG21 VAL A 3 1.824 -6.127 -5.279 1.00 25.00 H new ATOM 0 HG22 VAL A 3 1.603 -5.159 -6.757 1.00 25.00 H new ATOM 0 HG23 VAL A 3 2.130 -4.374 -5.249 1.00 25.00 H new ATOM 44 N GLU A 4 -2.009 -2.722 -4.093 1.00 25.00 N ATOM 45 CA GLU A 4 -3.303 -2.410 -3.568 1.00 25.00 C ATOM 46 C GLU A 4 -3.928 -1.302 -4.458 1.00 25.00 C ATOM 47 O GLU A 4 -5.039 -1.398 -4.880 1.00 25.00 O ATOM 48 CB GLU A 4 -3.224 -1.941 -2.110 1.00 25.00 C ATOM 49 CG GLU A 4 -4.016 -2.783 -1.113 1.00 25.00 C ATOM 50 CD GLU A 4 -3.839 -2.338 0.314 1.00 25.00 C ATOM 51 OE1 GLU A 4 -4.142 -1.237 0.711 1.00 25.00 O ATOM 52 OE2 GLU A 4 -3.362 -3.257 1.086 1.00 25.00 O ATOM 0 H GLU A 4 -1.227 -2.527 -3.468 1.00 25.00 H new ATOM 0 HA GLU A 4 -3.922 -3.307 -3.580 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -2.178 -1.933 -1.804 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -3.580 -0.912 -2.056 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -5.074 -2.740 -1.371 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -3.708 -3.825 -1.202 1.00 25.00 H new ATOM 60 N GLN A 5 -3.129 -0.307 -4.804 1.00 25.00 N ATOM 61 CA GLN A 5 -3.626 0.780 -5.606 1.00 25.00 C ATOM 62 C GLN A 5 -4.126 0.292 -6.953 1.00 25.00 C ATOM 63 O GLN A 5 -5.183 0.735 -7.423 1.00 25.00 O ATOM 64 CB GLN A 5 -2.551 1.872 -5.803 1.00 25.00 C ATOM 65 CG GLN A 5 -2.233 2.652 -4.518 1.00 25.00 C ATOM 66 CD GLN A 5 -1.363 3.873 -4.826 1.00 25.00 C ATOM 67 OE1 GLN A 5 -0.388 3.803 -5.529 1.00 25.00 O ATOM 68 NE2 GLN A 5 -1.766 5.006 -4.329 1.00 25.00 N ATOM 0 H GLN A 5 -2.146 -0.236 -4.542 1.00 25.00 H new ATOM 0 HA GLN A 5 -4.466 1.217 -5.065 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -1.637 1.409 -6.174 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -2.888 2.570 -6.569 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -3.160 2.971 -4.042 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -1.718 2.002 -3.810 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -2.596 5.037 -3.736 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -1.252 5.864 -4.532 1.00 25.00 H new ATOM 77 N CYS A 6 -3.367 -0.586 -7.595 1.00 25.00 N ATOM 78 CA CYS A 6 -3.665 -1.015 -8.945 1.00 25.00 C ATOM 79 C CYS A 6 -4.826 -1.989 -8.956 1.00 25.00 C ATOM 80 O CYS A 6 -5.429 -2.199 -9.997 1.00 25.00 O ATOM 81 CB CYS A 6 -2.439 -1.665 -9.612 1.00 25.00 C ATOM 82 SG CYS A 6 -2.368 -1.368 -11.426 1.00 25.00 S ATOM 0 H CYS A 6 -2.534 -1.016 -7.193 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.938 -0.126 -9.514 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.532 -1.276 -9.150 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.457 -2.739 -9.425 1.00 25.00 H new ATOM 87 N CYS A 7 -5.132 -2.548 -7.808 1.00 25.00 N ATOM 88 CA CYS A 7 -6.271 -3.474 -7.663 1.00 25.00 C ATOM 89 C CYS A 7 -7.557 -2.693 -7.381 1.00 25.00 C ATOM 90 O CYS A 7 -8.586 -2.930 -8.002 1.00 25.00 O ATOM 91 CB CYS A 7 -5.981 -4.461 -6.546 1.00 25.00 C ATOM 92 SG CYS A 7 -7.305 -5.690 -6.316 1.00 25.00 S ATOM 0 H CYS A 7 -4.613 -2.386 -6.945 1.00 25.00 H new ATOM 0 HA CYS A 7 -6.410 -4.026 -8.592 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -5.046 -4.979 -6.761 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -5.836 -3.914 -5.615 1.00 25.00 H new ATOM 97 N THR A 8 -7.518 -1.805 -6.382 1.00 25.00 N ATOM 98 CA THR A 8 -8.713 -1.088 -5.958 1.00 25.00 C ATOM 99 C THR A 8 -9.110 0.013 -6.968 1.00 25.00 C ATOM 100 O THR A 8 -10.298 0.218 -7.280 1.00 25.00 O ATOM 101 CB THR A 8 -8.535 -0.526 -4.516 1.00 25.00 C ATOM 102 OG1 THR A 8 -9.818 -0.128 -4.006 1.00 25.00 O ATOM 103 CG2 THR A 8 -7.611 0.667 -4.462 1.00 25.00 C ATOM 0 H THR A 8 -6.675 -1.570 -5.858 1.00 25.00 H new ATOM 0 HA THR A 8 -9.541 -1.797 -5.935 1.00 25.00 H new ATOM 0 HB THR A 8 -8.091 -1.320 -3.915 1.00 25.00 H new ATOM 0 HG1 THR A 8 -9.714 0.225 -3.098 1.00 25.00 H new ATOM 0 HG21 THR A 8 -7.526 1.015 -3.433 1.00 25.00 H new ATOM 0 HG22 THR A 8 -6.626 0.381 -4.831 1.00 25.00 H new ATOM 0 HG23 THR A 8 -8.013 1.467 -5.083 1.00 25.00 H new ATOM 111 N SER A 9 -8.114 0.621 -7.601 1.00 25.00 N ATOM 112 CA SER A 9 -8.372 1.583 -8.662 1.00 25.00 C ATOM 113 C SER A 9 -7.869 1.035 -9.990 1.00 25.00 C ATOM 114 O SER A 9 -7.404 -0.095 -10.042 1.00 25.00 O ATOM 115 CB SER A 9 -7.747 2.917 -8.326 1.00 25.00 C ATOM 116 OG SER A 9 -8.318 3.937 -9.120 1.00 25.00 O ATOM 0 H SER A 9 -7.126 0.465 -7.399 1.00 25.00 H new ATOM 0 HA SER A 9 -9.446 1.744 -8.754 1.00 25.00 H new ATOM 0 HB2 SER A 9 -7.897 3.141 -7.270 1.00 25.00 H new ATOM 0 HB3 SER A 9 -6.671 2.875 -8.493 1.00 25.00 H new ATOM 0 HG SER A 9 -7.907 4.797 -8.893 1.00 25.00 H new ATOM 122 N ILE A 10 -8.013 1.806 -11.055 1.00 25.00 N ATOM 123 CA ILE A 10 -7.613 1.379 -12.410 1.00 25.00 C ATOM 124 C ILE A 10 -6.281 2.027 -12.781 1.00 25.00 C ATOM 125 O ILE A 10 -6.129 3.230 -12.646 1.00 25.00 O ATOM 126 CB ILE A 10 -8.695 1.869 -13.445 1.00 25.00 C ATOM 127 CG1 ILE A 10 -9.988 1.035 -13.255 1.00 25.00 C ATOM 128 CG2 ILE A 10 -8.194 1.729 -14.878 1.00 25.00 C ATOM 129 CD1 ILE A 10 -11.198 1.486 -14.045 1.00 25.00 C ATOM 0 H ILE A 10 -8.408 2.746 -11.018 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.522 0.293 -12.429 1.00 25.00 H new ATOM 0 HB ILE A 10 -8.899 2.925 -13.265 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -9.771 0.001 -13.522 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.248 1.043 -12.196 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -8.963 2.075 -15.568 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -7.293 2.328 -15.009 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -7.967 0.683 -15.083 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -12.039 0.827 -13.830 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -11.456 2.507 -13.764 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -10.971 1.449 -15.111 1.00 25.00 H new ATOM 141 N CYS A 11 -5.339 1.237 -13.305 1.00 25.00 N ATOM 142 CA CYS A 11 -4.091 1.797 -13.787 1.00 25.00 C ATOM 143 C CYS A 11 -4.175 1.882 -15.302 1.00 25.00 C ATOM 144 O CYS A 11 -4.414 0.848 -15.970 1.00 25.00 O ATOM 145 CB CYS A 11 -2.890 0.902 -13.416 1.00 25.00 C ATOM 146 SG CYS A 11 -2.636 0.633 -11.623 1.00 25.00 S ATOM 0 H CYS A 11 -5.422 0.225 -13.402 1.00 25.00 H new ATOM 0 HA CYS A 11 -3.943 2.776 -13.331 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -3.019 -0.068 -13.897 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -1.985 1.346 -13.831 1.00 25.00 H new ATOM 151 N SER A 12 -3.934 3.072 -15.846 1.00 25.00 N ATOM 152 CA SER A 12 -3.910 3.256 -17.307 1.00 25.00 C ATOM 153 C SER A 12 -2.596 2.726 -17.879 1.00 25.00 C ATOM 154 O SER A 12 -1.657 2.500 -17.145 1.00 25.00 O ATOM 155 CB SER A 12 -4.021 4.751 -17.667 1.00 25.00 C ATOM 156 OG SER A 12 -4.208 5.513 -16.499 1.00 25.00 O ATOM 0 H SER A 12 -3.753 3.920 -15.309 1.00 25.00 H new ATOM 0 HA SER A 12 -4.755 2.711 -17.728 1.00 25.00 H new ATOM 0 HB2 SER A 12 -3.118 5.077 -18.184 1.00 25.00 H new ATOM 0 HB3 SER A 12 -4.855 4.908 -18.351 1.00 25.00 H new ATOM 0 HG SER A 12 -4.276 6.462 -16.735 1.00 25.00 H new ATOM 162 N LEU A 13 -2.555 2.568 -19.214 1.00 25.00 N ATOM 163 CA LEU A 13 -1.354 2.046 -19.882 1.00 25.00 C ATOM 164 C LEU A 13 -0.140 2.857 -19.480 1.00 25.00 C ATOM 165 O LEU A 13 0.891 2.326 -19.142 1.00 25.00 O ATOM 166 CB LEU A 13 -1.511 2.160 -21.398 1.00 25.00 C ATOM 167 CG LEU A 13 -2.131 0.976 -22.121 1.00 25.00 C ATOM 168 CD1 LEU A 13 -2.365 1.379 -23.554 1.00 25.00 C ATOM 169 CD2 LEU A 13 -1.198 -0.263 -22.071 1.00 25.00 C ATOM 0 H LEU A 13 -3.328 2.791 -19.842 1.00 25.00 H new ATOM 0 HA LEU A 13 -1.227 1.004 -19.588 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -2.117 3.041 -21.610 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -0.526 2.340 -21.827 1.00 25.00 H new ATOM 0 HG LEU A 13 -3.068 0.704 -21.635 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -2.810 0.546 -24.098 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -3.039 2.235 -23.586 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -1.415 1.648 -24.016 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.668 -1.094 -22.596 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -0.248 -0.023 -22.549 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -1.021 -0.544 -21.033 1.00 25.00 H new ATOM 181 N TYR A 14 -0.288 4.165 -19.483 1.00 25.00 N ATOM 182 CA TYR A 14 0.809 5.069 -19.132 1.00 25.00 C ATOM 183 C TYR A 14 1.295 4.899 -17.703 1.00 25.00 C ATOM 184 O TYR A 14 2.470 4.989 -17.435 1.00 25.00 O ATOM 185 CB TYR A 14 0.344 6.518 -19.365 1.00 25.00 C ATOM 186 CG TYR A 14 -0.767 6.575 -20.375 1.00 25.00 C ATOM 187 CD1 TYR A 14 -0.554 6.326 -21.745 1.00 25.00 C ATOM 188 CD2 TYR A 14 -2.068 6.909 -19.952 1.00 25.00 C ATOM 189 CE1 TYR A 14 -1.634 6.418 -22.680 1.00 25.00 C ATOM 190 CE2 TYR A 14 -3.150 7.005 -20.872 1.00 25.00 C ATOM 191 CZ TYR A 14 -2.928 6.765 -22.232 1.00 25.00 C ATOM 192 OH TYR A 14 -3.961 6.845 -23.121 1.00 25.00 O ATOM 0 H TYR A 14 -1.159 4.637 -19.725 1.00 25.00 H new ATOM 0 HA TYR A 14 1.658 4.823 -19.770 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.006 6.950 -18.423 1.00 25.00 H new ATOM 0 HB3 TYR A 14 1.184 7.122 -19.709 1.00 25.00 H new ATOM 0 HD1 TYR A 14 0.434 6.063 -22.093 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -2.249 7.097 -18.904 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -1.460 6.222 -23.728 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -4.139 7.262 -20.521 1.00 25.00 H new ATOM 0 HH TYR A 14 -4.782 7.094 -22.647 1.00 25.00 H new ATOM 202 N GLN A 15 0.389 4.667 -16.759 1.00 25.00 N ATOM 203 CA GLN A 15 0.802 4.480 -15.372 1.00 25.00 C ATOM 204 C GLN A 15 1.594 3.151 -15.290 1.00 25.00 C ATOM 205 O GLN A 15 2.616 3.029 -14.614 1.00 25.00 O ATOM 206 CB GLN A 15 -0.408 4.480 -14.431 1.00 25.00 C ATOM 207 CG GLN A 15 -1.298 5.751 -14.536 1.00 25.00 C ATOM 208 CD GLN A 15 -2.180 5.923 -13.303 1.00 25.00 C ATOM 209 OE1 GLN A 15 -2.721 4.941 -12.794 1.00 25.00 O ATOM 210 NE2 GLN A 15 -2.297 7.112 -12.776 1.00 25.00 N ATOM 0 H GLN A 15 -0.616 4.605 -16.923 1.00 25.00 H new ATOM 0 HA GLN A 15 1.437 5.306 -15.051 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -1.020 3.603 -14.644 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -0.056 4.381 -13.404 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -0.665 6.630 -14.657 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -1.924 5.685 -15.426 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -1.840 7.911 -13.215 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -2.845 7.241 -11.926 1.00 25.00 H new ATOM 219 N LEU A 16 1.128 2.170 -16.020 1.00 25.00 N ATOM 220 CA LEU A 16 1.751 0.874 -16.007 1.00 25.00 C ATOM 221 C LEU A 16 3.166 0.990 -16.613 1.00 25.00 C ATOM 222 O LEU A 16 4.128 0.449 -16.089 1.00 25.00 O ATOM 223 CB LEU A 16 0.924 -0.162 -16.754 1.00 25.00 C ATOM 224 CG LEU A 16 -0.435 -0.539 -16.125 1.00 25.00 C ATOM 225 CD1 LEU A 16 -1.281 -1.290 -17.168 1.00 25.00 C ATOM 226 CD2 LEU A 16 -0.196 -1.447 -14.894 1.00 25.00 C ATOM 0 H LEU A 16 0.316 2.246 -16.633 1.00 25.00 H new ATOM 0 HA LEU A 16 1.821 0.532 -14.974 1.00 25.00 H new ATOM 0 HB2 LEU A 16 0.742 0.209 -17.763 1.00 25.00 H new ATOM 0 HB3 LEU A 16 1.520 -1.070 -16.850 1.00 25.00 H new ATOM 0 HG LEU A 16 -0.961 0.362 -15.810 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.242 -1.560 -16.731 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -1.443 -0.649 -18.035 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.757 -2.194 -17.478 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.154 -1.715 -14.448 1.00 25.00 H new ATOM 0 HD22 LEU A 16 0.325 -2.352 -15.205 1.00 25.00 H new ATOM 0 HD23 LEU A 16 0.409 -0.914 -14.161 1.00 25.00 H new ATOM 238 N GLU A 17 3.278 1.774 -17.685 1.00 25.00 N ATOM 239 CA GLU A 17 4.572 2.046 -18.321 1.00 25.00 C ATOM 240 C GLU A 17 5.536 2.798 -17.389 1.00 25.00 C ATOM 241 O GLU A 17 6.716 2.521 -17.359 1.00 25.00 O ATOM 242 CB GLU A 17 4.360 2.842 -19.614 1.00 25.00 C ATOM 243 CG GLU A 17 3.867 2.031 -20.789 1.00 25.00 C ATOM 244 CD GLU A 17 3.672 2.867 -22.022 1.00 25.00 C ATOM 245 OE1 GLU A 17 2.786 3.675 -22.114 1.00 25.00 O ATOM 246 OE2 GLU A 17 4.537 2.624 -22.947 1.00 25.00 O ATOM 0 H GLU A 17 2.487 2.235 -18.134 1.00 25.00 H new ATOM 0 HA GLU A 17 5.031 1.084 -18.550 1.00 25.00 H new ATOM 0 HB2 GLU A 17 3.645 3.641 -19.418 1.00 25.00 H new ATOM 0 HB3 GLU A 17 5.302 3.317 -19.889 1.00 25.00 H new ATOM 0 HG2 GLU A 17 4.581 1.235 -21.002 1.00 25.00 H new ATOM 0 HG3 GLU A 17 2.924 1.552 -20.526 1.00 25.00 H new ATOM 254 N ASN A 18 5.000 3.660 -16.540 1.00 25.00 N ATOM 255 CA ASN A 18 5.820 4.363 -15.563 1.00 25.00 C ATOM 256 C ASN A 18 6.473 3.443 -14.541 1.00 25.00 C ATOM 257 O ASN A 18 7.387 3.868 -13.824 1.00 25.00 O ATOM 258 CB ASN A 18 4.983 5.367 -14.761 1.00 25.00 C ATOM 259 CG ASN A 18 5.023 6.751 -15.330 1.00 25.00 C ATOM 260 OD1 ASN A 18 6.060 7.369 -15.440 1.00 25.00 O ATOM 261 ND2 ASN A 18 3.888 7.262 -15.756 1.00 25.00 N ATOM 0 H ASN A 18 4.007 3.890 -16.506 1.00 25.00 H new ATOM 0 HA ASN A 18 6.591 4.853 -16.157 1.00 25.00 H new ATOM 0 HB2 ASN A 18 3.949 5.024 -14.727 1.00 25.00 H new ATOM 0 HB3 ASN A 18 5.344 5.393 -13.733 1.00 25.00 H new ATOM 0 HD21 ASN A 18 3.874 8.188 -16.184 1.00 25.00 H new ATOM 0 HD22 ASN A 18 3.022 6.733 -15.658 1.00 25.00 H new ATOM 268 N TYR A 19 6.035 2.174 -14.461 1.00 25.00 N ATOM 269 CA TYR A 19 6.618 1.232 -13.500 1.00 25.00 C ATOM 270 C TYR A 19 7.730 0.401 -14.166 1.00 25.00 C ATOM 271 O TYR A 19 8.400 -0.452 -13.529 1.00 25.00 O ATOM 272 CB TYR A 19 5.526 0.306 -12.943 1.00 25.00 C ATOM 273 CG TYR A 19 4.287 1.006 -12.442 1.00 25.00 C ATOM 274 CD1 TYR A 19 4.308 2.283 -11.829 1.00 25.00 C ATOM 275 CD2 TYR A 19 3.047 0.342 -12.573 1.00 25.00 C ATOM 276 CE1 TYR A 19 3.081 2.897 -11.376 1.00 25.00 C ATOM 277 CE2 TYR A 19 1.866 0.935 -12.129 1.00 25.00 C ATOM 278 CZ TYR A 19 1.859 2.210 -11.537 1.00 25.00 C ATOM 279 OH TYR A 19 0.649 2.737 -11.101 1.00 25.00 O ATOM 0 H TYR A 19 5.292 1.785 -15.041 1.00 25.00 H new ATOM 0 HA TYR A 19 7.056 1.799 -12.678 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.236 -0.398 -13.723 1.00 25.00 H new ATOM 0 HB3 TYR A 19 5.949 -0.279 -12.126 1.00 25.00 H new ATOM 0 HD1 TYR A 19 5.247 2.801 -11.699 1.00 25.00 H new ATOM 0 HD2 TYR A 19 3.013 -0.639 -13.024 1.00 25.00 H new ATOM 0 HE1 TYR A 19 3.099 3.875 -10.917 1.00 25.00 H new ATOM 0 HE2 TYR A 19 0.934 0.402 -12.243 1.00 25.00 H new ATOM 0 HH TYR A 19 -0.075 2.109 -11.307 1.00 25.00 H new ATOM 289 N CYS A 20 7.941 0.650 -15.452 1.00 25.00 N ATOM 290 CA CYS A 20 8.919 -0.142 -16.204 1.00 25.00 C ATOM 291 C CYS A 20 10.311 0.463 -16.062 1.00 25.00 C ATOM 292 O CYS A 20 10.476 1.657 -15.964 1.00 25.00 O ATOM 293 CB CYS A 20 8.636 -0.137 -17.708 1.00 25.00 C ATOM 294 SG CYS A 20 6.992 -0.685 -18.237 1.00 25.00 S ATOM 0 H CYS A 20 7.464 1.374 -15.990 1.00 25.00 H new ATOM 0 HA CYS A 20 8.853 -1.152 -15.799 1.00 25.00 H new ATOM 0 HB2 CYS A 20 8.791 0.876 -18.079 1.00 25.00 H new ATOM 0 HB3 CYS A 20 9.377 -0.771 -18.194 1.00 25.00 H new ATOM 299 N ASN A 21 11.337 -0.373 -16.193 1.00 25.00 N ATOM 300 CA ASN A 21 12.721 0.047 -16.226 1.00 25.00 C ATOM 301 C ASN A 21 13.145 0.696 -17.567 1.00 25.00 C ATOM 302 O ASN A 21 14.040 0.257 -18.274 1.00 25.00 O ATOM 303 CB ASN A 21 13.599 -1.196 -15.814 1.00 25.00 C ATOM 304 CG ASN A 21 13.412 -1.367 -14.329 1.00 25.00 C ATOM 305 OD1 ASN A 21 13.757 -0.520 -13.554 1.00 25.00 O ATOM 306 ND2 ASN A 21 12.885 -2.500 -13.912 1.00 25.00 N ATOM 307 OXT ASN A 21 12.445 1.745 -17.879 1.00 25.00 O ATOM 0 H ASN A 21 11.219 -1.382 -16.281 1.00 25.00 H new ATOM 0 HA ASN A 21 12.876 0.856 -15.512 1.00 25.00 H new ATOM 0 HB2 ASN A 21 13.285 -2.090 -16.352 1.00 25.00 H new ATOM 0 HB3 ASN A 21 14.648 -1.030 -16.058 1.00 25.00 H new ATOM 0 HD21 ASN A 21 12.764 -2.669 -12.913 1.00 25.00 H new ATOM 0 HD22 ASN A 21 12.598 -3.208 -14.588 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -5.227 -3.673 -25.788 1.00 25.00 N ATOM 317 CA PHE B 1 -5.363 -3.346 -24.320 1.00 25.00 C ATOM 318 C PHE B 1 -6.583 -2.487 -23.950 1.00 25.00 C ATOM 319 O PHE B 1 -7.068 -1.696 -24.714 1.00 25.00 O ATOM 320 CB PHE B 1 -4.100 -2.649 -23.877 1.00 25.00 C ATOM 321 CG PHE B 1 -3.787 -2.782 -22.394 1.00 25.00 C ATOM 322 CD1 PHE B 1 -3.041 -3.880 -21.988 1.00 25.00 C ATOM 323 CD2 PHE B 1 -4.225 -1.840 -21.450 1.00 25.00 C ATOM 324 CE1 PHE B 1 -2.693 -4.017 -20.646 1.00 25.00 C ATOM 325 CE2 PHE B 1 -3.900 -1.993 -20.110 1.00 25.00 C ATOM 326 CZ PHE B 1 -3.141 -3.093 -19.713 1.00 25.00 C ATOM 0 H1 PHE B 1 -4.377 -4.254 -25.937 1.00 25.00 H new ATOM 0 H2 PHE B 1 -6.066 -4.199 -26.106 1.00 25.00 H new ATOM 0 H3 PHE B 1 -5.144 -2.792 -26.334 1.00 25.00 H new ATOM 0 HA PHE B 1 -5.520 -4.293 -23.804 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -3.262 -3.048 -24.448 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -4.180 -1.590 -24.124 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -2.732 -4.623 -22.708 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -4.816 -0.994 -21.768 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -2.073 -4.844 -20.331 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.232 -1.267 -19.382 1.00 25.00 H new ATOM 0 HZ PHE B 1 -2.899 -3.227 -18.669 1.00 25.00 H new ATOM 337 N VAL B 2 -7.090 -2.641 -22.709 1.00 25.00 N ATOM 338 CA VAL B 2 -8.178 -1.854 -22.151 1.00 25.00 C ATOM 339 C VAL B 2 -7.768 -1.574 -20.689 1.00 25.00 C ATOM 340 O VAL B 2 -7.209 -2.445 -20.006 1.00 25.00 O ATOM 341 CB VAL B 2 -9.569 -2.591 -22.239 1.00 25.00 C ATOM 342 CG1 VAL B 2 -9.559 -3.955 -21.555 1.00 25.00 C ATOM 343 CG2 VAL B 2 -10.679 -1.709 -21.656 1.00 25.00 C ATOM 0 H VAL B 2 -6.734 -3.341 -22.058 1.00 25.00 H new ATOM 0 HA VAL B 2 -8.324 -0.933 -22.716 1.00 25.00 H new ATOM 0 HB VAL B 2 -9.766 -2.769 -23.296 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -10.543 -4.416 -21.647 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -8.813 -4.594 -22.028 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -9.314 -3.831 -20.500 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -11.633 -2.232 -21.724 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -10.459 -1.490 -20.611 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -10.736 -0.777 -22.218 1.00 25.00 H new ATOM 353 N ASN B 3 -7.969 -0.358 -20.261 1.00 25.00 N ATOM 354 CA ASN B 3 -7.522 0.031 -18.902 1.00 25.00 C ATOM 355 C ASN B 3 -8.475 -0.671 -17.932 1.00 25.00 C ATOM 356 O ASN B 3 -9.664 -0.768 -18.167 1.00 25.00 O ATOM 357 CB ASN B 3 -7.584 1.553 -18.690 1.00 25.00 C ATOM 358 CG ASN B 3 -8.915 2.167 -19.141 1.00 25.00 C ATOM 359 OD1 ASN B 3 -9.142 2.332 -20.338 1.00 25.00 O ATOM 360 ND2 ASN B 3 -9.719 2.531 -18.223 1.00 25.00 N ATOM 0 H ASN B 3 -8.424 0.381 -20.797 1.00 25.00 H new ATOM 0 HA ASN B 3 -6.483 -0.258 -18.746 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -7.428 1.774 -17.634 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -6.768 2.024 -19.239 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -10.600 2.983 -18.467 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -9.482 2.370 -17.244 1.00 25.00 H new ATOM 367 N GLN B 4 -7.933 -1.241 -16.862 1.00 25.00 N ATOM 368 CA GLN B 4 -8.734 -2.084 -15.993 1.00 25.00 C ATOM 369 C GLN B 4 -8.125 -2.109 -14.589 1.00 25.00 C ATOM 370 O GLN B 4 -7.064 -1.507 -14.341 1.00 25.00 O ATOM 371 CB GLN B 4 -8.671 -3.527 -16.555 1.00 25.00 C ATOM 372 CG GLN B 4 -7.262 -4.145 -16.623 1.00 25.00 C ATOM 373 CD GLN B 4 -7.245 -5.504 -17.306 1.00 25.00 C ATOM 374 OE1 GLN B 4 -7.141 -6.519 -16.658 1.00 25.00 O ATOM 375 NE2 GLN B 4 -7.408 -5.520 -18.615 1.00 25.00 N ATOM 0 H GLN B 4 -6.958 -1.136 -16.581 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.755 -1.706 -15.948 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -9.302 -4.167 -15.938 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -9.099 -3.528 -17.557 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -6.598 -3.466 -17.159 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -6.866 -4.247 -15.613 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -7.492 -4.643 -19.129 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -7.450 -6.409 -19.113 1.00 25.00 H new ATOM 384 N HIS B 5 -8.788 -2.827 -13.682 1.00 25.00 N ATOM 385 CA HIS B 5 -8.226 -3.170 -12.362 1.00 25.00 C ATOM 386 C HIS B 5 -7.209 -4.329 -12.503 1.00 25.00 C ATOM 387 O HIS B 5 -7.471 -5.280 -13.228 1.00 25.00 O ATOM 388 CB HIS B 5 -9.384 -3.624 -11.407 1.00 25.00 C ATOM 389 CG HIS B 5 -10.332 -2.501 -11.070 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.029 -1.483 -10.164 1.00 25.00 N ATOM 391 CD2 HIS B 5 -11.593 -2.228 -11.495 1.00 25.00 C ATOM 392 CE1 HIS B 5 -11.078 -0.647 -10.108 1.00 25.00 C ATOM 393 NE2 HIS B 5 -12.031 -1.099 -10.890 1.00 25.00 N ATOM 0 H HIS B 5 -9.729 -3.190 -13.835 1.00 25.00 H new ATOM 0 HA HIS B 5 -7.723 -2.294 -11.952 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -9.940 -4.435 -11.877 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -8.956 -4.022 -10.487 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.161 -1.390 -9.636 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.156 -2.818 -12.203 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.130 0.254 -9.514 1.00 25.00 H new ATOM 402 N LEU B 6 -6.078 -4.245 -11.818 1.00 25.00 N ATOM 403 CA LEU B 6 -5.059 -5.322 -11.848 1.00 25.00 C ATOM 404 C LEU B 6 -4.767 -5.791 -10.437 1.00 25.00 C ATOM 405 O LEU B 6 -4.151 -5.074 -9.665 1.00 25.00 O ATOM 406 CB LEU B 6 -3.734 -4.809 -12.464 1.00 25.00 C ATOM 407 CG LEU B 6 -3.540 -4.551 -13.979 1.00 25.00 C ATOM 408 CD1 LEU B 6 -4.227 -5.628 -14.832 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.019 -3.143 -14.402 1.00 25.00 C ATOM 0 H LEU B 6 -5.829 -3.449 -11.231 1.00 25.00 H new ATOM 0 HA LEU B 6 -5.453 -6.139 -12.453 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.505 -3.870 -11.961 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -2.963 -5.523 -12.173 1.00 25.00 H new ATOM 0 HG LEU B 6 -2.466 -4.603 -14.160 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -4.068 -5.412 -15.888 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -3.805 -6.604 -14.594 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -5.296 -5.633 -14.620 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -3.862 -3.012 -15.473 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -5.080 -3.036 -14.175 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -3.454 -2.387 -13.857 1.00 25.00 H new ATOM 421 N CYS B 7 -5.164 -7.002 -10.106 1.00 25.00 N ATOM 422 CA CYS B 7 -4.955 -7.546 -8.770 1.00 25.00 C ATOM 423 C CYS B 7 -4.141 -8.779 -8.935 1.00 25.00 C ATOM 424 O CYS B 7 -4.253 -9.473 -9.956 1.00 25.00 O ATOM 425 CB CYS B 7 -6.271 -7.902 -8.109 1.00 25.00 C ATOM 426 SG CYS B 7 -7.511 -6.559 -8.134 1.00 25.00 S ATOM 0 H CYS B 7 -5.638 -7.638 -10.747 1.00 25.00 H new ATOM 0 HA CYS B 7 -4.459 -6.808 -8.139 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -6.690 -8.777 -8.607 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -6.080 -8.185 -7.074 1.00 25.00 H new ATOM 431 N GLY B 8 -3.376 -9.125 -7.908 1.00 25.00 N ATOM 432 CA GLY B 8 -2.673 -10.394 -7.912 1.00 25.00 C ATOM 433 C GLY B 8 -1.861 -10.683 -9.164 1.00 25.00 C ATOM 434 O GLY B 8 -1.191 -9.793 -9.685 1.00 25.00 O ATOM 0 H GLY B 8 -3.230 -8.553 -7.076 1.00 25.00 H new ATOM 0 HA2 GLY B 8 -2.005 -10.423 -7.051 1.00 25.00 H new ATOM 0 HA3 GLY B 8 -3.401 -11.194 -7.778 1.00 25.00 H new ATOM 438 N SER B 9 -1.963 -11.911 -9.700 1.00 25.00 N ATOM 439 CA SER B 9 -1.237 -12.314 -10.905 1.00 25.00 C ATOM 440 C SER B 9 -1.535 -11.466 -12.165 1.00 25.00 C ATOM 441 O SER B 9 -0.795 -11.511 -13.154 1.00 25.00 O ATOM 442 CB SER B 9 -1.585 -13.770 -11.243 1.00 25.00 C ATOM 443 OG SER B 9 -1.598 -14.589 -10.082 1.00 25.00 O ATOM 0 H SER B 9 -2.551 -12.647 -9.308 1.00 25.00 H new ATOM 0 HA SER B 9 -0.184 -12.170 -10.662 1.00 25.00 H new ATOM 0 HB2 SER B 9 -2.561 -13.808 -11.727 1.00 25.00 H new ATOM 0 HB3 SER B 9 -0.860 -14.161 -11.957 1.00 25.00 H new ATOM 0 HG SER B 9 -1.825 -15.509 -10.333 1.00 25.00 H new ATOM 449 N HIS B 10 -2.644 -10.752 -12.165 1.00 25.00 N ATOM 450 CA HIS B 10 -3.045 -9.939 -13.338 1.00 25.00 C ATOM 451 C HIS B 10 -2.092 -8.793 -13.510 1.00 25.00 C ATOM 452 O HIS B 10 -1.857 -8.329 -14.656 1.00 25.00 O ATOM 453 CB HIS B 10 -4.460 -9.409 -13.137 1.00 25.00 C ATOM 454 CG HIS B 10 -5.400 -9.791 -14.243 1.00 25.00 C ATOM 455 ND1 HIS B 10 -5.908 -8.877 -15.148 1.00 25.00 N ATOM 456 CD2 HIS B 10 -5.980 -10.960 -14.567 1.00 25.00 C ATOM 457 CE1 HIS B 10 -6.705 -9.517 -15.988 1.00 25.00 C ATOM 458 NE2 HIS B 10 -6.759 -10.774 -15.645 1.00 25.00 N ATOM 0 H HIS B 10 -3.292 -10.706 -11.379 1.00 25.00 H new ATOM 0 HA HIS B 10 -3.020 -10.562 -14.232 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -4.851 -9.785 -12.192 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -4.426 -8.322 -13.058 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -5.842 -11.896 -14.046 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -7.226 -9.071 -16.822 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -7.303 -11.496 -16.117 1.00 25.00 H new ATOM 467 N LEU B 11 -1.553 -8.308 -12.398 1.00 25.00 N ATOM 468 CA LEU B 11 -0.652 -7.168 -12.421 1.00 25.00 C ATOM 469 C LEU B 11 0.687 -7.565 -13.030 1.00 25.00 C ATOM 470 O LEU B 11 1.159 -6.972 -13.968 1.00 25.00 O ATOM 471 CB LEU B 11 -0.441 -6.614 -10.989 1.00 25.00 C ATOM 472 CG LEU B 11 0.402 -5.331 -10.823 1.00 25.00 C ATOM 473 CD1 LEU B 11 -0.095 -4.175 -11.652 1.00 25.00 C ATOM 474 CD2 LEU B 11 0.391 -4.986 -9.358 1.00 25.00 C ATOM 0 H LEU B 11 -1.726 -8.689 -11.468 1.00 25.00 H new ATOM 0 HA LEU B 11 -1.101 -6.387 -13.035 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -1.423 -6.426 -10.556 1.00 25.00 H new ATOM 0 HB3 LEU B 11 0.025 -7.399 -10.393 1.00 25.00 H new ATOM 0 HG LEU B 11 1.413 -5.520 -11.184 1.00 25.00 H new ATOM 0 HD11 LEU B 11 0.544 -3.307 -11.486 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -0.071 -4.447 -12.707 1.00 25.00 H new ATOM 0 HD13 LEU B 11 -1.118 -3.933 -11.363 1.00 25.00 H new ATOM 0 HD21 LEU B 11 0.977 -4.082 -9.193 1.00 25.00 H new ATOM 0 HD22 LEU B 11 -0.635 -4.818 -9.031 1.00 25.00 H new ATOM 0 HD23 LEU B 11 0.823 -5.808 -8.787 1.00 25.00 H new ATOM 486 N VAL B 12 1.287 -8.643 -12.521 1.00 25.00 N ATOM 487 CA VAL B 12 2.553 -9.097 -13.061 1.00 25.00 C ATOM 488 C VAL B 12 2.455 -9.429 -14.550 1.00 25.00 C ATOM 489 O VAL B 12 3.354 -9.102 -15.329 1.00 25.00 O ATOM 490 CB VAL B 12 3.140 -10.255 -12.145 1.00 25.00 C ATOM 491 CG1 VAL B 12 2.057 -11.290 -11.778 1.00 25.00 C ATOM 492 CG2 VAL B 12 4.303 -10.960 -12.792 1.00 25.00 C ATOM 0 H VAL B 12 0.920 -9.203 -11.751 1.00 25.00 H new ATOM 0 HA VAL B 12 3.281 -8.286 -13.029 1.00 25.00 H new ATOM 0 HB VAL B 12 3.494 -9.769 -11.236 1.00 25.00 H new ATOM 0 HG11 VAL B 12 2.494 -12.067 -11.151 1.00 25.00 H new ATOM 0 HG12 VAL B 12 1.251 -10.796 -11.235 1.00 25.00 H new ATOM 0 HG13 VAL B 12 1.659 -11.739 -12.688 1.00 25.00 H new ATOM 0 HG21 VAL B 12 4.669 -11.743 -12.128 1.00 25.00 H new ATOM 0 HG22 VAL B 12 3.981 -11.405 -13.734 1.00 25.00 H new ATOM 0 HG23 VAL B 12 5.102 -10.244 -12.984 1.00 25.00 H new ATOM 502 N GLU B 13 1.333 -10.028 -14.977 1.00 25.00 N ATOM 503 CA GLU B 13 1.120 -10.232 -16.379 1.00 25.00 C ATOM 504 C GLU B 13 1.054 -8.912 -17.152 1.00 25.00 C ATOM 505 O GLU B 13 1.692 -8.777 -18.173 1.00 25.00 O ATOM 506 CB GLU B 13 -0.185 -11.021 -16.643 1.00 25.00 C ATOM 507 CG GLU B 13 -0.002 -12.520 -16.664 1.00 25.00 C ATOM 508 CD GLU B 13 0.907 -12.947 -17.808 1.00 25.00 C ATOM 509 OE1 GLU B 13 0.741 -12.643 -18.978 1.00 25.00 O ATOM 510 OE2 GLU B 13 1.879 -13.748 -17.408 1.00 25.00 O ATOM 0 H GLU B 13 0.586 -10.366 -14.370 1.00 25.00 H new ATOM 0 HA GLU B 13 1.977 -10.807 -16.731 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -0.914 -10.765 -15.874 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -0.603 -10.703 -17.598 1.00 25.00 H new ATOM 0 HG2 GLU B 13 0.422 -12.851 -15.716 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -0.972 -13.006 -16.766 1.00 25.00 H new ATOM 518 N ALA B 14 0.264 -7.947 -16.677 1.00 25.00 N ATOM 519 CA ALA B 14 0.104 -6.686 -17.359 1.00 25.00 C ATOM 520 C ALA B 14 1.441 -5.975 -17.539 1.00 25.00 C ATOM 521 O ALA B 14 1.748 -5.443 -18.595 1.00 25.00 O ATOM 522 CB ALA B 14 -0.886 -5.782 -16.562 1.00 25.00 C ATOM 0 H ALA B 14 -0.274 -8.028 -15.814 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.301 -6.883 -18.352 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.006 -4.830 -17.079 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -1.853 -6.279 -16.488 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -0.492 -5.605 -15.561 1.00 25.00 H new ATOM 528 N LEU B 15 2.258 -5.999 -16.503 1.00 25.00 N ATOM 529 CA LEU B 15 3.548 -5.326 -16.540 1.00 25.00 C ATOM 530 C LEU B 15 4.516 -6.012 -17.490 1.00 25.00 C ATOM 531 O LEU B 15 5.234 -5.374 -18.220 1.00 25.00 O ATOM 532 CB LEU B 15 4.090 -5.243 -15.113 1.00 25.00 C ATOM 533 CG LEU B 15 3.267 -4.366 -14.164 1.00 25.00 C ATOM 534 CD1 LEU B 15 3.848 -4.422 -12.763 1.00 25.00 C ATOM 535 CD2 LEU B 15 3.255 -2.917 -14.617 1.00 25.00 C ATOM 0 H LEU B 15 2.054 -6.476 -15.625 1.00 25.00 H new ATOM 0 HA LEU B 15 3.425 -4.317 -16.932 1.00 25.00 H new ATOM 0 HB2 LEU B 15 4.143 -6.250 -14.700 1.00 25.00 H new ATOM 0 HB3 LEU B 15 5.109 -4.859 -15.148 1.00 25.00 H new ATOM 0 HG LEU B 15 2.248 -4.752 -14.170 1.00 25.00 H new ATOM 0 HD11 LEU B 15 3.255 -3.795 -12.098 1.00 25.00 H new ATOM 0 HD12 LEU B 15 3.831 -5.451 -12.403 1.00 25.00 H new ATOM 0 HD13 LEU B 15 4.876 -4.061 -12.781 1.00 25.00 H new ATOM 0 HD21 LEU B 15 2.662 -2.323 -13.921 1.00 25.00 H new ATOM 0 HD22 LEU B 15 4.276 -2.535 -14.642 1.00 25.00 H new ATOM 0 HD23 LEU B 15 2.819 -2.851 -15.614 1.00 25.00 H new ATOM 547 N TYR B 16 4.503 -7.333 -17.475 1.00 25.00 N ATOM 548 CA TYR B 16 5.334 -8.097 -18.412 1.00 25.00 C ATOM 549 C TYR B 16 4.920 -7.711 -19.832 1.00 25.00 C ATOM 550 O TYR B 16 5.768 -7.495 -20.699 1.00 25.00 O ATOM 551 CB TYR B 16 5.152 -9.573 -18.157 1.00 25.00 C ATOM 552 CG TYR B 16 5.516 -10.443 -19.335 1.00 25.00 C ATOM 553 CD1 TYR B 16 6.861 -10.764 -19.633 1.00 25.00 C ATOM 554 CD2 TYR B 16 4.509 -10.955 -20.183 1.00 25.00 C ATOM 555 CE1 TYR B 16 7.206 -11.581 -20.731 1.00 25.00 C ATOM 556 CE2 TYR B 16 4.848 -11.775 -21.290 1.00 25.00 C ATOM 557 CZ TYR B 16 6.185 -12.105 -21.546 1.00 25.00 C ATOM 558 OH TYR B 16 6.527 -12.891 -22.600 1.00 25.00 O ATOM 0 H TYR B 16 3.940 -7.898 -16.840 1.00 25.00 H new ATOM 0 HA TYR B 16 6.392 -7.871 -18.278 1.00 25.00 H new ATOM 0 HB2 TYR B 16 5.762 -9.862 -17.301 1.00 25.00 H new ATOM 0 HB3 TYR B 16 4.113 -9.760 -17.886 1.00 25.00 H new ATOM 0 HD1 TYR B 16 7.646 -10.373 -19.003 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.473 -10.720 -19.987 1.00 25.00 H new ATOM 0 HE1 TYR B 16 8.242 -11.802 -20.943 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.070 -12.147 -21.940 1.00 25.00 H new ATOM 0 HH TYR B 16 5.717 -13.180 -23.069 1.00 25.00 H new ATOM 568 N LEU B 17 3.626 -7.618 -20.077 1.00 25.00 N ATOM 569 CA LEU B 17 3.112 -7.318 -21.416 1.00 25.00 C ATOM 570 C LEU B 17 3.422 -5.879 -21.843 1.00 25.00 C ATOM 571 O LEU B 17 3.700 -5.606 -23.006 1.00 25.00 O ATOM 572 CB LEU B 17 1.603 -7.585 -21.482 1.00 25.00 C ATOM 573 CG LEU B 17 1.139 -9.052 -21.444 1.00 25.00 C ATOM 574 CD1 LEU B 17 -0.400 -9.142 -21.333 1.00 25.00 C ATOM 575 CD2 LEU B 17 1.637 -9.903 -22.656 1.00 25.00 C ATOM 0 H LEU B 17 2.903 -7.745 -19.369 1.00 25.00 H new ATOM 0 HA LEU B 17 3.621 -7.980 -22.116 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.132 -7.062 -20.650 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.222 -7.135 -22.399 1.00 25.00 H new ATOM 0 HG LEU B 17 1.598 -9.480 -20.553 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -0.702 -10.189 -21.308 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -0.728 -8.647 -20.419 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -0.856 -8.653 -22.194 1.00 25.00 H new ATOM 0 HD21 LEU B 17 1.270 -10.925 -22.559 1.00 25.00 H new ATOM 0 HD22 LEU B 17 1.262 -9.470 -23.583 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.727 -9.909 -22.673 1.00 25.00 H new ATOM 587 N VAL B 18 3.375 -4.934 -20.892 1.00 25.00 N ATOM 588 CA VAL B 18 3.577 -3.526 -21.259 1.00 25.00 C ATOM 589 C VAL B 18 5.037 -3.109 -21.290 1.00 25.00 C ATOM 590 O VAL B 18 5.433 -2.201 -22.036 1.00 25.00 O ATOM 591 CB VAL B 18 2.737 -2.570 -20.353 1.00 25.00 C ATOM 592 CG1 VAL B 18 3.500 -2.176 -19.070 1.00 25.00 C ATOM 593 CG2 VAL B 18 2.308 -1.339 -21.072 1.00 25.00 C ATOM 0 H VAL B 18 3.206 -5.108 -19.901 1.00 25.00 H new ATOM 0 HA VAL B 18 3.215 -3.435 -22.283 1.00 25.00 H new ATOM 0 HB VAL B 18 1.846 -3.133 -20.075 1.00 25.00 H new ATOM 0 HG11 VAL B 18 2.881 -1.511 -18.468 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.734 -3.073 -18.496 1.00 25.00 H new ATOM 0 HG13 VAL B 18 4.425 -1.666 -19.339 1.00 25.00 H new ATOM 0 HG21 VAL B 18 1.728 -0.708 -20.399 1.00 25.00 H new ATOM 0 HG22 VAL B 18 3.187 -0.792 -21.414 1.00 25.00 H new ATOM 0 HG23 VAL B 18 1.695 -1.614 -21.930 1.00 25.00 H new ATOM 603 N CYS B 19 5.877 -3.745 -20.481 1.00 25.00 N ATOM 604 CA CYS B 19 7.300 -3.395 -20.370 1.00 25.00 C ATOM 605 C CYS B 19 8.225 -4.276 -21.220 1.00 25.00 C ATOM 606 O CYS B 19 9.286 -3.822 -21.687 1.00 25.00 O ATOM 607 CB CYS B 19 7.765 -3.565 -18.917 1.00 25.00 C ATOM 608 SG CYS B 19 6.843 -2.613 -17.671 1.00 25.00 S ATOM 0 H CYS B 19 5.596 -4.520 -19.880 1.00 25.00 H new ATOM 0 HA CYS B 19 7.370 -2.366 -20.723 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.703 -4.622 -18.657 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.816 -3.283 -18.857 1.00 25.00 H new ATOM 613 N GLY B 20 7.831 -5.531 -21.370 1.00 25.00 N ATOM 614 CA GLY B 20 8.656 -6.483 -22.098 1.00 25.00 C ATOM 615 C GLY B 20 9.952 -6.715 -21.366 1.00 25.00 C ATOM 616 O GLY B 20 9.927 -6.915 -20.169 1.00 25.00 O ATOM 0 H GLY B 20 6.958 -5.911 -21.003 1.00 25.00 H new ATOM 0 HA2 GLY B 20 8.121 -7.426 -22.213 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.859 -6.107 -23.101 1.00 25.00 H new ATOM 620 N GLU B 21 11.085 -6.609 -22.059 1.00 25.00 N ATOM 621 CA GLU B 21 12.400 -6.770 -21.422 1.00 25.00 C ATOM 622 C GLU B 21 12.712 -5.675 -20.389 1.00 25.00 C ATOM 623 O GLU B 21 13.578 -5.871 -19.563 1.00 25.00 O ATOM 624 CB GLU B 21 13.512 -6.709 -22.477 1.00 25.00 C ATOM 625 CG GLU B 21 13.498 -7.806 -23.508 1.00 25.00 C ATOM 626 CD GLU B 21 14.559 -7.600 -24.556 1.00 25.00 C ATOM 627 OE1 GLU B 21 14.311 -7.187 -25.666 1.00 25.00 O ATOM 628 OE2 GLU B 21 15.794 -7.775 -24.080 1.00 25.00 O ATOM 0 H GLU B 21 11.123 -6.413 -23.059 1.00 25.00 H new ATOM 0 HA GLU B 21 12.363 -7.736 -20.918 1.00 25.00 H new ATOM 0 HB2 GLU B 21 13.446 -5.751 -22.992 1.00 25.00 H new ATOM 0 HB3 GLU B 21 14.474 -6.730 -21.965 1.00 25.00 H new ATOM 0 HG2 GLU B 21 13.652 -8.767 -23.018 1.00 25.00 H new ATOM 0 HG3 GLU B 21 12.519 -7.845 -23.985 1.00 25.00 H new ATOM 636 N ARG B 22 11.982 -4.565 -20.397 1.00 25.00 N ATOM 637 CA ARG B 22 12.125 -3.529 -19.384 1.00 25.00 C ATOM 638 C ARG B 22 11.194 -3.812 -18.218 1.00 25.00 C ATOM 639 O ARG B 22 10.769 -2.897 -17.519 1.00 25.00 O ATOM 640 CB ARG B 22 11.850 -2.148 -19.993 1.00 25.00 C ATOM 641 CG ARG B 22 12.966 -1.742 -20.976 1.00 25.00 C ATOM 642 CD ARG B 22 12.415 -1.372 -22.368 1.00 25.00 C ATOM 643 NE ARG B 22 12.554 -2.477 -23.359 1.00 25.00 N ATOM 644 CZ ARG B 22 13.630 -2.732 -24.089 1.00 25.00 C ATOM 645 NH1 ARG B 22 14.738 -2.031 -24.037 1.00 25.00 N ATOM 646 NH2 ARG B 22 13.567 -3.724 -24.898 1.00 25.00 N ATOM 0 H ARG B 22 11.277 -4.360 -21.105 1.00 25.00 H new ATOM 0 HA ARG B 22 13.149 -3.532 -19.010 1.00 25.00 H new ATOM 0 HB2 ARG B 22 10.891 -2.160 -20.512 1.00 25.00 H new ATOM 0 HB3 ARG B 22 11.773 -1.406 -19.199 1.00 25.00 H new ATOM 0 HG2 ARG B 22 13.515 -0.893 -20.568 1.00 25.00 H new ATOM 0 HG3 ARG B 22 13.676 -2.563 -21.075 1.00 25.00 H new ATOM 0 HD2 ARG B 22 11.363 -1.103 -22.277 1.00 25.00 H new ATOM 0 HD3 ARG B 22 12.939 -0.491 -22.738 1.00 25.00 H new ATOM 0 HE ARG B 22 11.750 -3.091 -23.486 1.00 25.00 H new ATOM 0 HH11 ARG B 22 14.808 -1.233 -23.405 1.00 25.00 H new ATOM 0 HH12 ARG B 22 15.530 -2.284 -24.628 1.00 25.00 H new ATOM 0 HH21 ARG B 22 12.713 -4.279 -24.959 1.00 25.00 H new ATOM 0 HH22 ARG B 22 14.371 -3.959 -25.481 1.00 25.00 H new ATOM 660 N GLY B 23 10.864 -5.095 -18.038 1.00 25.00 N ATOM 661 CA GLY B 23 9.936 -5.531 -17.021 1.00 25.00 C ATOM 662 C GLY B 23 10.350 -5.129 -15.638 1.00 25.00 C ATOM 663 O GLY B 23 11.543 -4.884 -15.353 1.00 25.00 O ATOM 0 H GLY B 23 11.242 -5.855 -18.603 1.00 25.00 H new ATOM 0 HA2 GLY B 23 8.951 -5.116 -17.234 1.00 25.00 H new ATOM 0 HA3 GLY B 23 9.841 -6.616 -17.065 1.00 25.00 H new ATOM 667 N PHE B 24 9.328 -4.983 -14.789 1.00 25.00 N ATOM 668 CA PHE B 24 9.486 -4.556 -13.417 1.00 25.00 C ATOM 669 C PHE B 24 10.270 -5.567 -12.566 1.00 25.00 C ATOM 670 O PHE B 24 10.528 -6.660 -13.023 1.00 25.00 O ATOM 671 CB PHE B 24 8.114 -4.288 -12.793 1.00 25.00 C ATOM 672 CG PHE B 24 7.424 -5.548 -12.347 1.00 25.00 C ATOM 673 CD1 PHE B 24 6.834 -6.425 -13.260 1.00 25.00 C ATOM 674 CD2 PHE B 24 7.339 -5.829 -10.936 1.00 25.00 C ATOM 675 CE1 PHE B 24 6.170 -7.590 -12.845 1.00 25.00 C ATOM 676 CE2 PHE B 24 6.663 -6.999 -10.502 1.00 25.00 C ATOM 677 CZ PHE B 24 6.073 -7.882 -11.462 1.00 25.00 C ATOM 0 H PHE B 24 8.359 -5.163 -15.050 1.00 25.00 H new ATOM 0 HA PHE B 24 10.071 -3.636 -13.432 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.232 -3.621 -11.939 1.00 25.00 H new ATOM 0 HB3 PHE B 24 7.485 -3.771 -13.517 1.00 25.00 H new ATOM 0 HD1 PHE B 24 6.890 -6.200 -14.315 1.00 25.00 H new ATOM 0 HD2 PHE B 24 7.785 -5.157 -10.217 1.00 25.00 H new ATOM 0 HE1 PHE B 24 5.736 -8.258 -13.574 1.00 25.00 H new ATOM 0 HE2 PHE B 24 6.594 -7.223 -9.448 1.00 25.00 H new ATOM 0 HZ PHE B 24 5.554 -8.770 -11.132 1.00 25.00 H new ATOM 687 N PHE B 25 10.622 -5.152 -11.364 1.00 25.00 N ATOM 688 CA PHE B 25 11.429 -6.023 -10.483 1.00 25.00 C ATOM 689 C PHE B 25 10.644 -6.362 -9.255 1.00 25.00 C ATOM 690 O PHE B 25 10.327 -5.479 -8.445 1.00 25.00 O ATOM 691 CB PHE B 25 12.710 -5.300 -10.103 1.00 25.00 C ATOM 692 CG PHE B 25 13.693 -6.216 -9.400 1.00 25.00 C ATOM 693 CD1 PHE B 25 13.644 -6.392 -7.976 1.00 25.00 C ATOM 694 CD2 PHE B 25 14.716 -6.864 -10.115 1.00 25.00 C ATOM 695 CE1 PHE B 25 14.595 -7.250 -7.324 1.00 25.00 C ATOM 696 CE2 PHE B 25 15.646 -7.716 -9.448 1.00 25.00 C ATOM 697 CZ PHE B 25 15.588 -7.875 -8.063 1.00 25.00 C ATOM 0 H PHE B 25 10.377 -4.244 -10.969 1.00 25.00 H new ATOM 0 HA PHE B 25 11.679 -6.946 -11.006 1.00 25.00 H new ATOM 0 HB2 PHE B 25 13.174 -4.890 -11.000 1.00 25.00 H new ATOM 0 HB3 PHE B 25 12.472 -4.457 -9.454 1.00 25.00 H new ATOM 0 HD1 PHE B 25 12.892 -5.879 -7.394 1.00 25.00 H new ATOM 0 HD2 PHE B 25 14.799 -6.715 -11.181 1.00 25.00 H new ATOM 0 HE1 PHE B 25 14.536 -7.408 -6.257 1.00 25.00 H new ATOM 0 HE2 PHE B 25 16.399 -8.240 -10.018 1.00 25.00 H new ATOM 0 HZ PHE B 25 16.322 -8.489 -7.563 1.00 25.00 H new HETATM 707 N NVA B 26 10.395 -7.687 -9.151 1.00 25.00 N HETATM 708 CA NVA B 26 9.859 -8.321 -7.914 1.00 25.00 C HETATM 709 CB NVA B 26 8.638 -9.286 -8.194 1.00 25.00 C HETATM 710 CG NVA B 26 7.898 -9.754 -6.892 1.00 25.00 C HETATM 711 CD NVA B 26 6.869 -10.857 -7.162 1.00 25.00 C HETATM 712 C NVA B 26 10.999 -9.053 -7.256 1.00 25.00 C HETATM 713 O NVA B 26 11.703 -9.845 -7.883 1.00 25.00 O HETATM 0 HG3 NVA B 26 8.632 -10.116 -6.172 1.00 25.00 H new HETATM 0 HG2 NVA B 26 7.398 -8.900 -6.436 1.00 25.00 H new HETATM 0 HD3 NVA B 26 6.117 -10.490 -7.860 1.00 25.00 H new HETATM 0 HB3 NVA B 26 7.926 -8.778 -8.844 1.00 25.00 H new HETATM 0 HB2 NVA B 26 8.995 -10.163 -8.735 1.00 25.00 H new HETATM 0 HA NVA B 26 9.462 -7.548 -7.256 1.00 25.00 H new HETATM 0 H NVA B 26 9.972 -7.896 -10.055 1.00 25.00 H new ATOM 722 N THR B 27 11.281 -8.687 -5.998 1.00 25.00 N ATOM 723 CA THR B 27 12.284 -9.305 -5.126 1.00 25.00 C ATOM 724 C THR B 27 11.822 -10.757 -4.986 1.00 25.00 C ATOM 725 O THR B 27 10.644 -11.031 -5.104 1.00 25.00 O ATOM 726 CB THR B 27 12.274 -8.628 -3.747 1.00 25.00 C ATOM 727 OG1 THR B 27 10.921 -8.548 -3.279 1.00 25.00 O ATOM 728 CG2 THR B 27 12.826 -7.190 -3.803 1.00 25.00 C ATOM 0 H THR B 27 10.793 -7.917 -5.542 1.00 25.00 H new ATOM 0 HA THR B 27 13.294 -9.217 -5.527 1.00 25.00 H new ATOM 0 HB THR B 27 12.904 -9.224 -3.086 1.00 25.00 H new ATOM 0 HG1 THR B 27 10.904 -8.119 -2.398 1.00 25.00 H new ATOM 0 HG21 THR B 27 12.800 -6.751 -2.806 1.00 25.00 H new ATOM 0 HG22 THR B 27 13.854 -7.209 -4.164 1.00 25.00 H new ATOM 0 HG23 THR B 27 12.215 -6.592 -4.479 1.00 25.00 H new ATOM 736 N PRO B 28 12.748 -11.707 -4.791 1.00 25.00 N ATOM 737 CA PRO B 28 12.176 -13.074 -4.782 1.00 25.00 C ATOM 738 C PRO B 28 11.213 -13.338 -3.626 1.00 25.00 C ATOM 739 O PRO B 28 11.567 -13.126 -2.462 1.00 25.00 O ATOM 740 CB PRO B 28 13.409 -13.980 -4.651 1.00 25.00 C ATOM 741 CG PRO B 28 14.543 -13.124 -5.117 1.00 25.00 C ATOM 742 CD PRO B 28 14.218 -11.728 -4.627 1.00 25.00 C ATOM 0 HA PRO B 28 11.578 -13.245 -5.677 1.00 25.00 H new ATOM 0 HB2 PRO B 28 13.555 -14.309 -3.622 1.00 25.00 H new ATOM 0 HB3 PRO B 28 13.310 -14.878 -5.261 1.00 25.00 H new ATOM 0 HG2 PRO B 28 15.492 -13.473 -4.710 1.00 25.00 H new ATOM 0 HG3 PRO B 28 14.634 -13.148 -6.203 1.00 25.00 H new ATOM 0 HD2 PRO B 28 14.520 -11.574 -3.591 1.00 25.00 H new ATOM 0 HD3 PRO B 28 14.710 -10.958 -5.220 1.00 25.00 H new HETATM 750 N HIX B 29 10.016 -13.774 -3.964 1.00 25.00 N HETATM 751 CA HIX B 29 8.899 -14.125 -3.023 1.00 25.00 C HETATM 752 C HIX B 29 9.382 -15.173 -2.007 1.00 25.00 C HETATM 753 O HIX B 29 9.446 -16.356 -2.244 1.00 25.00 O HETATM 754 CB HIX B 29 7.614 -14.553 -3.747 1.00 25.00 C HETATM 755 CG HIX B 29 7.387 -13.745 -5.001 1.00 25.00 C HETATM 756 CD2 HIX B 29 7.295 -12.363 -5.096 1.00 25.00 C HETATM 757 ND1 HIX B 29 7.196 -14.218 -6.270 1.00 25.00 N HETATM 758 NE1 HIX B 29 6.986 -13.261 -7.256 1.00 25.00 N HETATM 759 NE2 HIX B 29 7.054 -12.128 -6.426 1.00 25.00 N ATOM 766 N THR B 30 9.743 -14.654 -0.816 1.00 25.00 N ATOM 767 CA THR B 30 10.270 -15.372 0.389 1.00 25.00 C ATOM 768 C THR B 30 11.590 -16.152 0.181 1.00 25.00 C ATOM 769 O THR B 30 12.538 -15.928 0.910 1.00 25.00 O ATOM 770 CB THR B 30 9.189 -16.286 0.984 1.00 25.00 C ATOM 771 OG1 THR B 30 7.945 -15.621 0.840 1.00 25.00 O ATOM 772 CG2 THR B 30 9.390 -16.575 2.486 1.00 25.00 C ATOM 773 OXT THR B 30 11.599 -17.039 -0.752 1.00 25.00 O ATOM 0 H THR B 30 9.673 -13.651 -0.646 1.00 25.00 H new ATOM 0 HA THR B 30 10.529 -14.580 1.092 1.00 25.00 H new ATOM 0 HB THR B 30 9.236 -17.239 0.457 1.00 25.00 H new ATOM 0 HG1 THR B 30 7.230 -16.180 1.210 1.00 25.00 H new ATOM 0 HG21 THR B 30 8.591 -17.226 2.841 1.00 25.00 H new ATOM 0 HG22 THR B 30 10.352 -17.065 2.637 1.00 25.00 H new ATOM 0 HG23 THR B 30 9.369 -15.638 3.043 1.00 25.00 H new TER 782 THR B 30