USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 470 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: A 27 ASN : amide:sc=-0.00603 X(o=-0.6,f=-0.57) USER MOD Set 1.2: A 30 ASN : amide:sc= -0.597 X(o=-0.6,f=-0.57) USER MOD Single : A 1 MET CE :methyl 148:sc= -0.33 (180deg=-2.04!) USER MOD Single : A 1 MET N :NH3+ 155:sc= -0.115 (180deg=-1.32!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.167 F(o=-1.6!,f=-0.17) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 94:sc= 0.633 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -38:sc= 1.1 USER MOD Single : A 17 THR OG1 : rot 76:sc= -0.303 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.15) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.13) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.26 K(o=-0.26,f=-1.2) USER MOD Single : A 36 CYS SG : rot 87:sc= 0.251 USER MOD Single : A 46 CYS SG : rot -36:sc= 0.194 USER MOD Single : A 50 MET CE :methyl -151:sc= -0.502 (180deg=-2.07!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.884 -6.139 -4.779 1.00 0.00 N ATOM 2 CA MET A 1 23.388 -4.746 -4.643 1.00 0.00 C ATOM 3 C MET A 1 23.454 -4.296 -3.188 1.00 0.00 C ATOM 4 O MET A 1 23.161 -5.040 -2.273 1.00 0.00 O ATOM 5 CB MET A 1 21.941 -4.774 -5.129 1.00 0.00 C ATOM 6 CG MET A 1 21.147 -5.792 -4.322 1.00 0.00 C ATOM 7 SD MET A 1 19.416 -5.771 -4.858 1.00 0.00 S ATOM 8 CE MET A 1 19.708 -6.190 -6.593 1.00 0.00 C ATOM 0 H1 MET A 1 23.464 -6.576 -5.624 1.00 0.00 H new ATOM 0 H2 MET A 1 24.920 -6.131 -4.872 1.00 0.00 H new ATOM 0 H3 MET A 1 23.616 -6.687 -3.937 1.00 0.00 H new ATOM 0 HA MET A 1 23.992 -4.046 -5.220 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.494 -3.785 -5.026 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.908 -5.030 -6.188 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.569 -6.788 -4.458 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.212 -5.560 -3.259 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.866 -6.767 -6.975 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.814 -5.275 -7.175 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.620 -6.781 -6.676 1.00 0.00 H new ATOM 20 N ASP A 2 23.834 -3.078 -2.982 1.00 0.00 N ATOM 21 CA ASP A 2 23.927 -2.542 -1.592 1.00 0.00 C ATOM 22 C ASP A 2 24.089 -1.017 -1.611 1.00 0.00 C ATOM 23 O ASP A 2 23.597 -0.324 -0.742 1.00 0.00 O ATOM 24 CB ASP A 2 25.152 -3.229 -0.976 1.00 0.00 C ATOM 25 CG ASP A 2 26.404 -2.927 -1.801 1.00 0.00 C ATOM 26 OD1 ASP A 2 26.780 -1.768 -1.877 1.00 0.00 O ATOM 27 OD2 ASP A 2 26.970 -3.861 -2.345 1.00 0.00 O ATOM 0 H ASP A 2 24.088 -2.418 -3.717 1.00 0.00 H new ATOM 0 HA ASP A 2 23.026 -2.742 -1.012 1.00 0.00 H new ATOM 0 HB2 ASP A 2 25.292 -2.885 0.049 1.00 0.00 H new ATOM 0 HB3 ASP A 2 24.989 -4.306 -0.932 1.00 0.00 H new ATOM 32 N LYS A 3 24.771 -0.482 -2.590 1.00 0.00 N ATOM 33 CA LYS A 3 24.950 0.994 -2.650 1.00 0.00 C ATOM 34 C LYS A 3 24.223 1.568 -3.868 1.00 0.00 C ATOM 35 O LYS A 3 23.838 2.722 -3.887 1.00 0.00 O ATOM 36 CB LYS A 3 26.455 1.211 -2.766 1.00 0.00 C ATOM 37 CG LYS A 3 26.969 0.618 -4.078 1.00 0.00 C ATOM 38 CD LYS A 3 28.457 0.928 -4.213 1.00 0.00 C ATOM 39 CE LYS A 3 29.224 0.275 -3.060 1.00 0.00 C ATOM 40 NZ LYS A 3 30.648 0.648 -3.282 1.00 0.00 N ATOM 0 H LYS A 3 25.210 -1.004 -3.348 1.00 0.00 H new ATOM 0 HA LYS A 3 24.537 1.494 -1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 3 26.681 2.276 -2.726 1.00 0.00 H new ATOM 0 HB3 LYS A 3 26.964 0.745 -1.922 1.00 0.00 H new ATOM 0 HG2 LYS A 3 26.806 -0.460 -4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 3 26.419 1.036 -4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 3 28.831 0.558 -5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 3 28.616 2.006 -4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 3 28.868 0.636 -2.095 1.00 0.00 H new ATOM 0 HE3 LYS A 3 29.095 -0.807 -3.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 31.236 0.236 -2.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 30.962 0.286 -4.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 30.742 1.684 -3.267 1.00 0.00 H new ATOM 54 N VAL A 4 24.029 0.774 -4.886 1.00 0.00 N ATOM 55 CA VAL A 4 23.322 1.281 -6.097 1.00 0.00 C ATOM 56 C VAL A 4 21.831 1.465 -5.799 1.00 0.00 C ATOM 57 O VAL A 4 21.150 2.238 -6.442 1.00 0.00 O ATOM 58 CB VAL A 4 23.540 0.208 -7.171 1.00 0.00 C ATOM 59 CG1 VAL A 4 25.035 0.077 -7.466 1.00 0.00 C ATOM 60 CG2 VAL A 4 22.998 -1.139 -6.683 1.00 0.00 C ATOM 0 H VAL A 4 24.328 -0.200 -4.932 1.00 0.00 H new ATOM 0 HA VAL A 4 23.699 2.251 -6.420 1.00 0.00 H new ATOM 0 HB VAL A 4 23.011 0.500 -8.078 1.00 0.00 H new ATOM 0 HG11 VAL A 4 25.190 -0.686 -8.229 1.00 0.00 H new ATOM 0 HG12 VAL A 4 25.420 1.032 -7.824 1.00 0.00 H new ATOM 0 HG13 VAL A 4 25.562 -0.209 -6.556 1.00 0.00 H new ATOM 0 HG21 VAL A 4 23.157 -1.895 -7.452 1.00 0.00 H new ATOM 0 HG22 VAL A 4 23.520 -1.433 -5.772 1.00 0.00 H new ATOM 0 HG23 VAL A 4 21.931 -1.049 -6.477 1.00 0.00 H new ATOM 70 N GLN A 5 21.321 0.764 -4.824 1.00 0.00 N ATOM 71 CA GLN A 5 19.881 0.900 -4.478 1.00 0.00 C ATOM 72 C GLN A 5 19.655 2.179 -3.671 1.00 0.00 C ATOM 73 O GLN A 5 18.893 3.044 -4.057 1.00 0.00 O ATOM 74 CB GLN A 5 19.554 -0.333 -3.634 1.00 0.00 C ATOM 75 CG GLN A 5 19.776 -1.597 -4.468 1.00 0.00 C ATOM 76 CD GLN A 5 18.852 -1.575 -5.685 1.00 0.00 C ATOM 77 OE1 GLN A 5 19.367 -1.586 -6.884 1.00 0.00 O flip ATOM 78 NE2 GLN A 5 17.645 -1.543 -5.545 1.00 0.00 N flip ATOM 0 H GLN A 5 21.843 0.101 -4.251 1.00 0.00 H new ATOM 0 HA GLN A 5 19.247 0.964 -5.363 1.00 0.00 H new ATOM 0 HB2 GLN A 5 20.184 -0.356 -2.745 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.520 -0.288 -3.291 1.00 0.00 H new ATOM 0 HG2 GLN A 5 20.816 -1.655 -4.789 1.00 0.00 H new ATOM 0 HG3 GLN A 5 19.579 -2.483 -3.864 1.00 0.00 H new ATOM 0 HE21 GLN A 5 17.240 -1.534 -4.609 1.00 0.00 H new ATOM 0 HE22 GLN A 5 17.037 -1.525 -6.364 1.00 0.00 H new ATOM 87 N TYR A 6 20.313 2.308 -2.550 1.00 0.00 N ATOM 88 CA TYR A 6 20.140 3.530 -1.720 1.00 0.00 C ATOM 89 C TYR A 6 20.530 4.772 -2.526 1.00 0.00 C ATOM 90 O TYR A 6 19.963 5.835 -2.364 1.00 0.00 O ATOM 91 CB TYR A 6 21.087 3.341 -0.534 1.00 0.00 C ATOM 92 CG TYR A 6 20.949 4.510 0.412 1.00 0.00 C ATOM 93 CD1 TYR A 6 19.711 4.792 1.002 1.00 0.00 C ATOM 94 CD2 TYR A 6 22.062 5.310 0.704 1.00 0.00 C ATOM 95 CE1 TYR A 6 19.583 5.874 1.880 1.00 0.00 C ATOM 96 CE2 TYR A 6 21.932 6.393 1.583 1.00 0.00 C ATOM 97 CZ TYR A 6 20.694 6.675 2.171 1.00 0.00 C ATOM 98 OH TYR A 6 20.569 7.740 3.038 1.00 0.00 O ATOM 0 H TYR A 6 20.963 1.618 -2.175 1.00 0.00 H new ATOM 0 HA TYR A 6 19.108 3.670 -1.398 1.00 0.00 H new ATOM 0 HB2 TYR A 6 20.856 2.411 -0.015 1.00 0.00 H new ATOM 0 HB3 TYR A 6 22.116 3.263 -0.885 1.00 0.00 H new ATOM 0 HD1 TYR A 6 18.854 4.174 0.779 1.00 0.00 H new ATOM 0 HD2 TYR A 6 23.018 5.092 0.252 1.00 0.00 H new ATOM 0 HE1 TYR A 6 18.627 6.091 2.333 1.00 0.00 H new ATOM 0 HE2 TYR A 6 22.789 7.011 1.807 1.00 0.00 H new ATOM 0 HH TYR A 6 21.435 8.190 3.131 1.00 0.00 H new ATOM 108 N LEU A 7 21.493 4.644 -3.400 1.00 0.00 N ATOM 109 CA LEU A 7 21.917 5.813 -4.220 1.00 0.00 C ATOM 110 C LEU A 7 20.763 6.281 -5.107 1.00 0.00 C ATOM 111 O LEU A 7 20.396 7.440 -5.111 1.00 0.00 O ATOM 112 CB LEU A 7 23.069 5.298 -5.070 1.00 0.00 C ATOM 113 CG LEU A 7 23.579 6.417 -5.980 1.00 0.00 C ATOM 114 CD1 LEU A 7 24.086 7.581 -5.126 1.00 0.00 C ATOM 115 CD2 LEU A 7 24.723 5.887 -6.846 1.00 0.00 C ATOM 0 H LEU A 7 22.004 3.780 -3.580 1.00 0.00 H new ATOM 0 HA LEU A 7 22.211 6.665 -3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 7 23.875 4.941 -4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 7 22.740 4.450 -5.670 1.00 0.00 H new ATOM 0 HG LEU A 7 22.767 6.763 -6.619 1.00 0.00 H new ATOM 0 HD11 LEU A 7 24.449 8.378 -5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 7 23.272 7.960 -4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 7 24.898 7.236 -4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 7 25.087 6.683 -7.495 1.00 0.00 H new ATOM 0 HD22 LEU A 7 25.534 5.541 -6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 7 24.364 5.058 -7.456 1.00 0.00 H new ATOM 127 N THR A 8 20.186 5.384 -5.858 1.00 0.00 N ATOM 128 CA THR A 8 19.055 5.767 -6.747 1.00 0.00 C ATOM 129 C THR A 8 17.828 6.133 -5.913 1.00 0.00 C ATOM 130 O THR A 8 16.974 6.881 -6.343 1.00 0.00 O ATOM 131 CB THR A 8 18.766 4.520 -7.577 1.00 0.00 C ATOM 132 OG1 THR A 8 19.933 4.147 -8.295 1.00 0.00 O ATOM 133 CG2 THR A 8 17.629 4.809 -8.558 1.00 0.00 C ATOM 0 H THR A 8 20.450 4.400 -5.894 1.00 0.00 H new ATOM 0 HA THR A 8 19.296 6.631 -7.367 1.00 0.00 H new ATOM 0 HB THR A 8 18.472 3.705 -6.916 1.00 0.00 H new ATOM 0 HG1 THR A 8 20.437 3.484 -7.779 1.00 0.00 H new ATOM 0 HG21 THR A 8 17.424 3.917 -9.150 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.733 5.091 -8.004 1.00 0.00 H new ATOM 0 HG23 THR A 8 17.918 5.625 -9.220 1.00 0.00 H new ATOM 141 N ARG A 9 17.732 5.604 -4.720 1.00 0.00 N ATOM 142 CA ARG A 9 16.558 5.917 -3.852 1.00 0.00 C ATOM 143 C ARG A 9 16.322 7.426 -3.816 1.00 0.00 C ATOM 144 O ARG A 9 15.202 7.892 -3.742 1.00 0.00 O ATOM 145 CB ARG A 9 16.934 5.400 -2.470 1.00 0.00 C ATOM 146 CG ARG A 9 15.768 5.611 -1.504 1.00 0.00 C ATOM 147 CD ARG A 9 14.557 4.799 -1.981 1.00 0.00 C ATOM 148 NE ARG A 9 13.494 5.036 -0.959 1.00 0.00 N ATOM 149 CZ ARG A 9 13.685 4.683 0.285 1.00 0.00 C ATOM 150 NH1 ARG A 9 13.437 3.460 0.662 1.00 0.00 N ATOM 151 NH2 ARG A 9 14.124 5.557 1.151 1.00 0.00 N ATOM 0 H ARG A 9 18.416 4.969 -4.310 1.00 0.00 H new ATOM 0 HA ARG A 9 15.639 5.458 -4.218 1.00 0.00 H new ATOM 0 HB2 ARG A 9 17.187 4.341 -2.524 1.00 0.00 H new ATOM 0 HB3 ARG A 9 17.819 5.921 -2.105 1.00 0.00 H new ATOM 0 HG2 ARG A 9 16.054 5.302 -0.499 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.512 6.669 -1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.231 5.123 -2.969 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.800 3.739 -2.057 1.00 0.00 H new ATOM 0 HE ARG A 9 12.615 5.475 -1.233 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.094 2.778 -0.014 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.586 3.185 1.633 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.317 6.514 0.856 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.273 5.282 2.122 1.00 0.00 H new ATOM 165 N SER A 10 17.376 8.192 -3.884 1.00 0.00 N ATOM 166 CA SER A 10 17.221 9.669 -3.872 1.00 0.00 C ATOM 167 C SER A 10 16.461 10.115 -5.121 1.00 0.00 C ATOM 168 O SER A 10 15.778 11.120 -5.121 1.00 0.00 O ATOM 169 CB SER A 10 18.638 10.219 -3.880 1.00 0.00 C ATOM 170 OG SER A 10 18.591 11.640 -3.876 1.00 0.00 O ATOM 0 H SER A 10 18.337 7.856 -3.947 1.00 0.00 H new ATOM 0 HA SER A 10 16.660 10.024 -3.008 1.00 0.00 H new ATOM 0 HB2 SER A 10 19.185 9.859 -3.008 1.00 0.00 H new ATOM 0 HB3 SER A 10 19.173 9.864 -4.761 1.00 0.00 H new ATOM 0 HG SER A 10 19.503 11.997 -3.880 1.00 0.00 H new ATOM 176 N ALA A 11 16.569 9.368 -6.188 1.00 0.00 N ATOM 177 CA ALA A 11 15.852 9.740 -7.434 1.00 0.00 C ATOM 178 C ALA A 11 14.396 9.276 -7.354 1.00 0.00 C ATOM 179 O ALA A 11 13.503 9.893 -7.901 1.00 0.00 O ATOM 180 CB ALA A 11 16.590 9.007 -8.554 1.00 0.00 C ATOM 0 H ALA A 11 17.125 8.515 -6.246 1.00 0.00 H new ATOM 0 HA ALA A 11 15.837 10.817 -7.599 1.00 0.00 H new ATOM 0 HB1 ALA A 11 16.117 9.233 -9.510 1.00 0.00 H new ATOM 0 HB2 ALA A 11 17.630 9.332 -8.578 1.00 0.00 H new ATOM 0 HB3 ALA A 11 16.550 7.933 -8.374 1.00 0.00 H new ATOM 186 N ILE A 12 14.150 8.189 -6.673 1.00 0.00 N ATOM 187 CA ILE A 12 12.757 7.681 -6.554 1.00 0.00 C ATOM 188 C ILE A 12 11.931 8.597 -5.648 1.00 0.00 C ATOM 189 O ILE A 12 10.847 9.021 -6.001 1.00 0.00 O ATOM 190 CB ILE A 12 12.897 6.298 -5.934 1.00 0.00 C ATOM 191 CG1 ILE A 12 13.765 5.417 -6.836 1.00 0.00 C ATOM 192 CG2 ILE A 12 11.513 5.663 -5.781 1.00 0.00 C ATOM 193 CD1 ILE A 12 13.894 4.023 -6.217 1.00 0.00 C ATOM 0 H ILE A 12 14.857 7.631 -6.194 1.00 0.00 H new ATOM 0 HA ILE A 12 12.246 7.648 -7.516 1.00 0.00 H new ATOM 0 HB ILE A 12 13.366 6.387 -4.954 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.321 5.346 -7.829 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.751 5.865 -6.959 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.614 4.673 -5.337 1.00 0.00 H new ATOM 0 HG22 ILE A 12 10.895 6.288 -5.137 1.00 0.00 H new ATOM 0 HG23 ILE A 12 11.043 5.575 -6.760 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.512 3.396 -6.859 1.00 0.00 H new ATOM 0 HD12 ILE A 12 14.357 4.103 -5.234 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.905 3.576 -6.117 1.00 0.00 H new ATOM 205 N ARG A 13 12.432 8.905 -4.481 1.00 0.00 N ATOM 206 CA ARG A 13 11.674 9.792 -3.555 1.00 0.00 C ATOM 207 C ARG A 13 11.465 11.170 -4.188 1.00 0.00 C ATOM 208 O ARG A 13 10.576 11.907 -3.810 1.00 0.00 O ATOM 209 CB ARG A 13 12.547 9.904 -2.303 1.00 0.00 C ATOM 210 CG ARG A 13 12.745 8.519 -1.679 1.00 0.00 C ATOM 211 CD ARG A 13 11.390 7.930 -1.267 1.00 0.00 C ATOM 212 NE ARG A 13 10.826 8.898 -0.286 1.00 0.00 N ATOM 213 CZ ARG A 13 9.650 8.682 0.239 1.00 0.00 C ATOM 214 NH1 ARG A 13 8.614 8.507 -0.535 1.00 0.00 N ATOM 215 NH2 ARG A 13 9.511 8.643 1.535 1.00 0.00 N ATOM 0 H ARG A 13 13.333 8.580 -4.130 1.00 0.00 H new ATOM 0 HA ARG A 13 10.685 9.395 -3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 13 13.513 10.338 -2.561 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.079 10.574 -1.582 1.00 0.00 H new ATOM 0 HG2 ARG A 13 13.237 7.857 -2.392 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.398 8.593 -0.809 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.733 7.814 -2.129 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.509 6.942 -0.822 1.00 0.00 H new ATOM 0 HE ARG A 13 11.357 9.728 -0.025 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.723 8.539 -1.549 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.695 8.338 -0.126 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.321 8.781 2.139 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.592 8.474 1.945 1.00 0.00 H new ATOM 229 N ARG A 14 12.269 11.522 -5.153 1.00 0.00 N ATOM 230 CA ARG A 14 12.109 12.836 -5.810 1.00 0.00 C ATOM 231 C ARG A 14 10.755 12.896 -6.523 1.00 0.00 C ATOM 232 O ARG A 14 10.217 13.957 -6.775 1.00 0.00 O ATOM 233 CB ARG A 14 13.262 12.898 -6.808 1.00 0.00 C ATOM 234 CG ARG A 14 13.133 14.159 -7.643 1.00 0.00 C ATOM 235 CD ARG A 14 13.222 15.389 -6.734 1.00 0.00 C ATOM 236 NE ARG A 14 13.143 16.566 -7.648 1.00 0.00 N ATOM 237 CZ ARG A 14 12.081 16.761 -8.383 1.00 0.00 C ATOM 238 NH1 ARG A 14 10.892 16.677 -7.848 1.00 0.00 N ATOM 239 NH2 ARG A 14 12.207 17.046 -9.650 1.00 0.00 N ATOM 0 H ARG A 14 13.032 10.948 -5.512 1.00 0.00 H new ATOM 0 HA ARG A 14 12.130 13.673 -5.112 1.00 0.00 H new ATOM 0 HB2 ARG A 14 14.216 12.893 -6.280 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.249 12.018 -7.452 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.922 14.192 -8.394 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.183 14.158 -8.178 1.00 0.00 H new ATOM 0 HD2 ARG A 14 12.409 15.400 -6.008 1.00 0.00 H new ATOM 0 HD3 ARG A 14 14.154 15.393 -6.169 1.00 0.00 H new ATOM 0 HE ARG A 14 13.923 17.222 -7.699 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.793 16.459 -6.856 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.063 16.829 -8.422 1.00 0.00 H new ATOM 0 HH21 ARG A 14 13.135 17.117 -10.067 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.377 17.198 -10.223 1.00 0.00 H new ATOM 253 N ALA A 15 10.198 11.759 -6.844 1.00 0.00 N ATOM 254 CA ALA A 15 8.884 11.737 -7.532 1.00 0.00 C ATOM 255 C ALA A 15 7.845 11.021 -6.662 1.00 0.00 C ATOM 256 O ALA A 15 6.656 11.244 -6.788 1.00 0.00 O ATOM 257 CB ALA A 15 9.127 10.964 -8.828 1.00 0.00 C ATOM 0 H ALA A 15 10.603 10.842 -6.656 1.00 0.00 H new ATOM 0 HA ALA A 15 8.500 12.739 -7.724 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.198 10.904 -9.395 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.883 11.478 -9.422 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.474 9.958 -8.592 1.00 0.00 H new ATOM 263 N SER A 16 8.282 10.155 -5.786 1.00 0.00 N ATOM 264 CA SER A 16 7.324 9.423 -4.919 1.00 0.00 C ATOM 265 C SER A 16 7.175 10.116 -3.562 1.00 0.00 C ATOM 266 O SER A 16 6.804 9.506 -2.580 1.00 0.00 O ATOM 267 CB SER A 16 7.927 8.038 -4.743 1.00 0.00 C ATOM 268 OG SER A 16 7.081 7.253 -3.913 1.00 0.00 O ATOM 0 H SER A 16 9.264 9.925 -5.636 1.00 0.00 H new ATOM 0 HA SER A 16 6.328 9.386 -5.360 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.049 7.557 -5.714 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.919 8.116 -4.299 1.00 0.00 H new ATOM 0 HG SER A 16 6.714 7.813 -3.198 1.00 0.00 H new ATOM 274 N THR A 17 7.460 11.388 -3.498 1.00 0.00 N ATOM 275 CA THR A 17 7.333 12.112 -2.206 1.00 0.00 C ATOM 276 C THR A 17 6.474 13.374 -2.367 1.00 0.00 C ATOM 277 O THR A 17 6.069 13.982 -1.396 1.00 0.00 O ATOM 278 CB THR A 17 8.765 12.481 -1.812 1.00 0.00 C ATOM 279 OG1 THR A 17 9.536 11.293 -1.675 1.00 0.00 O ATOM 280 CG2 THR A 17 8.752 13.238 -0.483 1.00 0.00 C ATOM 0 H THR A 17 7.775 11.955 -4.285 1.00 0.00 H new ATOM 0 HA THR A 17 6.844 11.502 -1.447 1.00 0.00 H new ATOM 0 HB THR A 17 9.203 13.114 -2.583 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.754 10.940 -2.563 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.772 13.500 -0.204 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.160 14.147 -0.588 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.315 12.607 0.291 1.00 0.00 H new ATOM 288 N ILE A 18 6.185 13.770 -3.579 1.00 0.00 N ATOM 289 CA ILE A 18 5.348 14.979 -3.788 1.00 0.00 C ATOM 290 C ILE A 18 3.915 14.577 -4.144 1.00 0.00 C ATOM 291 O ILE A 18 2.970 15.289 -3.863 1.00 0.00 O ATOM 292 CB ILE A 18 6.000 15.718 -4.947 1.00 0.00 C ATOM 293 CG1 ILE A 18 7.430 16.104 -4.565 1.00 0.00 C ATOM 294 CG2 ILE A 18 5.199 16.982 -5.269 1.00 0.00 C ATOM 295 CD1 ILE A 18 7.400 17.012 -3.332 1.00 0.00 C ATOM 0 H ILE A 18 6.495 13.305 -4.432 1.00 0.00 H new ATOM 0 HA ILE A 18 5.290 15.598 -2.893 1.00 0.00 H new ATOM 0 HB ILE A 18 6.019 15.070 -5.823 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.017 15.209 -4.357 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.914 16.617 -5.396 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.669 17.509 -6.100 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.180 16.707 -5.543 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.176 17.631 -4.394 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.418 17.288 -3.058 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.828 17.912 -3.557 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.932 16.483 -2.502 1.00 0.00 H new ATOM 307 N GLU A 19 3.747 13.439 -4.762 1.00 0.00 N ATOM 308 CA GLU A 19 2.384 12.988 -5.135 1.00 0.00 C ATOM 309 C GLU A 19 2.029 11.694 -4.397 1.00 0.00 C ATOM 310 O GLU A 19 0.875 11.330 -4.283 1.00 0.00 O ATOM 311 CB GLU A 19 2.443 12.750 -6.636 1.00 0.00 C ATOM 312 CG GLU A 19 1.071 12.296 -7.138 1.00 0.00 C ATOM 313 CD GLU A 19 0.035 13.380 -6.841 1.00 0.00 C ATOM 314 OE1 GLU A 19 0.207 14.486 -7.326 1.00 0.00 O ATOM 315 OE2 GLU A 19 -0.916 13.087 -6.135 1.00 0.00 O ATOM 0 H GLU A 19 4.500 12.803 -5.024 1.00 0.00 H new ATOM 0 HA GLU A 19 1.622 13.720 -4.869 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.744 13.664 -7.148 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.194 11.994 -6.865 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.111 12.100 -8.209 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.785 11.362 -6.653 1.00 0.00 H new ATOM 322 N MET A 20 3.011 10.996 -3.894 1.00 0.00 N ATOM 323 CA MET A 20 2.726 9.729 -3.166 1.00 0.00 C ATOM 324 C MET A 20 1.889 9.989 -1.902 1.00 0.00 C ATOM 325 O MET A 20 0.953 9.259 -1.640 1.00 0.00 O ATOM 326 CB MET A 20 4.096 9.148 -2.806 1.00 0.00 C ATOM 327 CG MET A 20 3.914 7.818 -2.089 1.00 0.00 C ATOM 328 SD MET A 20 3.049 6.654 -3.175 1.00 0.00 S ATOM 329 CE MET A 20 3.027 5.248 -2.037 1.00 0.00 C ATOM 0 H MET A 20 3.997 11.249 -3.956 1.00 0.00 H new ATOM 0 HA MET A 20 2.143 9.040 -3.777 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.691 9.008 -3.708 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.642 9.844 -2.169 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.884 7.412 -1.803 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.346 7.964 -1.170 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.530 4.403 -2.513 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.050 4.970 -1.782 1.00 0.00 H new ATOM 0 HE3 MET A 20 2.488 5.522 -1.130 1.00 0.00 H new ATOM 339 N PRO A 21 2.232 11.013 -1.145 1.00 0.00 N ATOM 340 CA PRO A 21 1.459 11.311 0.085 1.00 0.00 C ATOM 341 C PRO A 21 0.115 11.945 -0.278 1.00 0.00 C ATOM 342 O PRO A 21 -0.925 11.524 0.188 1.00 0.00 O ATOM 343 CB PRO A 21 2.344 12.296 0.842 1.00 0.00 C ATOM 344 CG PRO A 21 3.192 12.943 -0.197 1.00 0.00 C ATOM 345 CD PRO A 21 3.333 11.971 -1.342 1.00 0.00 C ATOM 0 HA PRO A 21 1.229 10.423 0.674 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.744 13.034 1.375 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.955 11.784 1.585 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.737 13.873 -0.538 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.170 13.198 0.211 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.253 12.476 -2.305 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.302 11.472 -1.323 1.00 0.00 H new ATOM 353 N GLN A 22 0.124 12.945 -1.117 1.00 0.00 N ATOM 354 CA GLN A 22 -1.160 13.587 -1.515 1.00 0.00 C ATOM 355 C GLN A 22 -2.095 12.537 -2.118 1.00 0.00 C ATOM 356 O GLN A 22 -3.301 12.613 -1.988 1.00 0.00 O ATOM 357 CB GLN A 22 -0.780 14.633 -2.553 1.00 0.00 C ATOM 358 CG GLN A 22 0.136 15.682 -1.918 1.00 0.00 C ATOM 359 CD GLN A 22 -0.601 16.377 -0.771 1.00 0.00 C ATOM 360 OE1 GLN A 22 -1.632 16.985 -0.977 1.00 0.00 O ATOM 361 NE2 GLN A 22 -0.111 16.313 0.437 1.00 0.00 N ATOM 0 H GLN A 22 0.961 13.343 -1.542 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.682 14.036 -0.670 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.276 14.158 -3.394 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.677 15.111 -2.947 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.045 15.209 -1.546 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.440 16.415 -2.665 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.755 15.802 0.610 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.594 16.774 1.208 1.00 0.00 H new ATOM 370 N GLN A 23 -1.542 11.552 -2.773 1.00 0.00 N ATOM 371 CA GLN A 23 -2.384 10.488 -3.379 1.00 0.00 C ATOM 372 C GLN A 23 -2.729 9.435 -2.327 1.00 0.00 C ATOM 373 O GLN A 23 -3.848 8.972 -2.243 1.00 0.00 O ATOM 374 CB GLN A 23 -1.527 9.885 -4.484 1.00 0.00 C ATOM 375 CG GLN A 23 -2.308 8.776 -5.195 1.00 0.00 C ATOM 376 CD GLN A 23 -1.437 8.162 -6.291 1.00 0.00 C ATOM 377 OE1 GLN A 23 -0.382 7.624 -6.018 1.00 0.00 O ATOM 378 NE2 GLN A 23 -1.834 8.222 -7.533 1.00 0.00 N ATOM 0 H GLN A 23 -0.538 11.441 -2.914 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.327 10.873 -3.766 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.241 10.657 -5.198 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.605 9.482 -4.064 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -2.605 8.009 -4.479 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.223 9.181 -5.627 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.719 8.673 -7.764 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.259 7.818 -8.272 1.00 0.00 H new ATOM 387 N ALA A 24 -1.779 9.059 -1.511 1.00 0.00 N ATOM 388 CA ALA A 24 -2.062 8.044 -0.456 1.00 0.00 C ATOM 389 C ALA A 24 -3.284 8.480 0.355 1.00 0.00 C ATOM 390 O ALA A 24 -4.141 7.685 0.685 1.00 0.00 O ATOM 391 CB ALA A 24 -0.811 8.020 0.423 1.00 0.00 C ATOM 0 H ALA A 24 -0.822 9.411 -1.530 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.279 7.059 -0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.944 7.294 1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.052 7.740 -0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.649 9.009 0.852 1.00 0.00 H new ATOM 397 N ARG A 25 -3.375 9.744 0.660 1.00 0.00 N ATOM 398 CA ARG A 25 -4.547 10.243 1.430 1.00 0.00 C ATOM 399 C ARG A 25 -5.833 9.893 0.677 1.00 0.00 C ATOM 400 O ARG A 25 -6.761 9.335 1.228 1.00 0.00 O ATOM 401 CB ARG A 25 -4.355 11.752 1.497 1.00 0.00 C ATOM 402 CG ARG A 25 -5.490 12.387 2.303 1.00 0.00 C ATOM 403 CD ARG A 25 -5.316 13.910 2.312 1.00 0.00 C ATOM 404 NE ARG A 25 -3.997 14.145 2.963 1.00 0.00 N ATOM 405 CZ ARG A 25 -3.536 15.360 3.087 1.00 0.00 C ATOM 406 NH1 ARG A 25 -3.217 16.048 2.024 1.00 0.00 N ATOM 407 NH2 ARG A 25 -3.393 15.889 4.273 1.00 0.00 N ATOM 0 H ARG A 25 -2.687 10.454 0.409 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.623 9.803 2.424 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.395 11.985 1.958 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.334 12.170 0.490 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.453 12.122 1.867 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.486 12.003 3.323 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.334 14.315 1.300 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.121 14.396 2.864 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.453 13.356 3.312 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.328 15.636 1.098 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.857 16.997 2.120 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.642 15.352 5.104 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.033 16.838 4.368 1.00 0.00 H new ATOM 421 N GLN A 26 -5.885 10.214 -0.588 1.00 0.00 N ATOM 422 CA GLN A 26 -7.092 9.903 -1.398 1.00 0.00 C ATOM 423 C GLN A 26 -7.178 8.401 -1.660 1.00 0.00 C ATOM 424 O GLN A 26 -8.174 7.767 -1.380 1.00 0.00 O ATOM 425 CB GLN A 26 -6.886 10.660 -2.702 1.00 0.00 C ATOM 426 CG GLN A 26 -6.752 12.152 -2.409 1.00 0.00 C ATOM 427 CD GLN A 26 -8.029 12.661 -1.741 1.00 0.00 C ATOM 428 OE1 GLN A 26 -9.098 12.595 -2.317 1.00 0.00 O ATOM 429 NE2 GLN A 26 -7.968 13.166 -0.539 1.00 0.00 N ATOM 0 H GLN A 26 -5.135 10.682 -1.097 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.016 10.190 -0.896 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.992 10.296 -3.209 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.727 10.484 -3.373 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.895 12.330 -1.760 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.570 12.699 -3.334 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.072 13.222 -0.054 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.816 13.504 -0.084 1.00 0.00 H new ATOM 438 N ASN A 27 -6.135 7.830 -2.194 1.00 0.00 N ATOM 439 CA ASN A 27 -6.143 6.368 -2.475 1.00 0.00 C ATOM 440 C ASN A 27 -6.486 5.581 -1.207 1.00 0.00 C ATOM 441 O ASN A 27 -6.907 4.444 -1.267 1.00 0.00 O ATOM 442 CB ASN A 27 -4.728 6.047 -2.940 1.00 0.00 C ATOM 443 CG ASN A 27 -4.610 4.552 -3.239 1.00 0.00 C ATOM 444 OD1 ASN A 27 -5.316 4.030 -4.081 1.00 0.00 O ATOM 445 ND2 ASN A 27 -3.739 3.834 -2.582 1.00 0.00 N ATOM 0 H ASN A 27 -5.274 8.315 -2.449 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.889 6.098 -3.222 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.488 6.626 -3.832 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.009 6.332 -2.172 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.651 2.836 -2.775 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.147 4.271 -1.876 1.00 0.00 H new ATOM 452 N LEU A 28 -6.313 6.178 -0.056 1.00 0.00 N ATOM 453 CA LEU A 28 -6.633 5.463 1.213 1.00 0.00 C ATOM 454 C LEU A 28 -8.040 4.866 1.130 1.00 0.00 C ATOM 455 O LEU A 28 -8.314 3.821 1.688 1.00 0.00 O ATOM 456 CB LEU A 28 -6.546 6.536 2.299 1.00 0.00 C ATOM 457 CG LEU A 28 -6.665 5.908 3.696 1.00 0.00 C ATOM 458 CD1 LEU A 28 -6.338 6.967 4.752 1.00 0.00 C ATOM 459 CD2 LEU A 28 -8.090 5.405 3.937 1.00 0.00 C ATOM 0 H LEU A 28 -5.964 7.130 0.059 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.955 4.635 1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.599 7.070 2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.339 7.270 2.156 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.970 5.071 3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.421 6.527 5.746 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.322 7.331 4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.038 7.798 4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.157 4.963 4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.788 6.239 3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.342 4.654 3.188 1.00 0.00 H new ATOM 471 N GLN A 29 -8.936 5.516 0.437 1.00 0.00 N ATOM 472 CA GLN A 29 -10.321 4.968 0.326 1.00 0.00 C ATOM 473 C GLN A 29 -10.261 3.527 -0.189 1.00 0.00 C ATOM 474 O GLN A 29 -11.022 2.675 0.225 1.00 0.00 O ATOM 475 CB GLN A 29 -11.039 5.875 -0.678 1.00 0.00 C ATOM 476 CG GLN A 29 -10.372 5.766 -2.052 1.00 0.00 C ATOM 477 CD GLN A 29 -11.068 6.716 -3.030 1.00 0.00 C ATOM 478 OE1 GLN A 29 -11.107 7.910 -2.811 1.00 0.00 O ATOM 479 NE2 GLN A 29 -11.620 6.233 -4.110 1.00 0.00 N ATOM 0 H GLN A 29 -8.772 6.395 -0.054 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.841 4.949 1.284 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.089 5.591 -0.751 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.011 6.908 -0.332 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.314 6.016 -1.976 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.432 4.741 -2.418 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.588 5.230 -4.295 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.084 6.858 -4.769 1.00 0.00 H new ATOM 488 N ASN A 30 -9.354 3.252 -1.085 1.00 0.00 N ATOM 489 CA ASN A 30 -9.230 1.874 -1.628 1.00 0.00 C ATOM 490 C ASN A 30 -8.495 0.976 -0.631 1.00 0.00 C ATOM 491 O ASN A 30 -8.844 -0.172 -0.442 1.00 0.00 O ATOM 492 CB ASN A 30 -8.429 2.028 -2.911 1.00 0.00 C ATOM 493 CG ASN A 30 -9.178 2.948 -3.875 1.00 0.00 C ATOM 494 OD1 ASN A 30 -10.295 2.664 -4.258 1.00 0.00 O ATOM 495 ND2 ASN A 30 -8.607 4.049 -4.285 1.00 0.00 N ATOM 0 H ASN A 30 -8.691 3.927 -1.465 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.200 1.411 -1.810 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.444 2.440 -2.690 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.270 1.053 -3.372 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.099 4.670 -4.927 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -7.669 4.287 -3.963 1.00 0.00 H new ATOM 502 N LEU A 31 -7.481 1.490 0.012 1.00 0.00 N ATOM 503 CA LEU A 31 -6.732 0.663 1.001 1.00 0.00 C ATOM 504 C LEU A 31 -7.706 0.067 2.020 1.00 0.00 C ATOM 505 O LEU A 31 -7.525 -1.036 2.499 1.00 0.00 O ATOM 506 CB LEU A 31 -5.768 1.628 1.675 1.00 0.00 C ATOM 507 CG LEU A 31 -4.924 0.879 2.709 1.00 0.00 C ATOM 508 CD1 LEU A 31 -4.128 -0.229 2.014 1.00 0.00 C ATOM 509 CD2 LEU A 31 -3.957 1.855 3.379 1.00 0.00 C ATOM 0 H LEU A 31 -7.140 2.444 -0.104 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.205 -0.171 0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.121 2.090 0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.323 2.432 2.158 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.578 0.439 3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.527 -0.762 2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.816 -0.925 1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.473 0.211 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.355 1.323 4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.303 2.294 2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.522 2.645 3.874 1.00 0.00 H new ATOM 521 N PHE A 32 -8.745 0.789 2.346 1.00 0.00 N ATOM 522 CA PHE A 32 -9.738 0.268 3.323 1.00 0.00 C ATOM 523 C PHE A 32 -10.323 -1.051 2.814 1.00 0.00 C ATOM 524 O PHE A 32 -10.177 -2.087 3.431 1.00 0.00 O ATOM 525 CB PHE A 32 -10.821 1.345 3.398 1.00 0.00 C ATOM 526 CG PHE A 32 -11.919 0.896 4.334 1.00 0.00 C ATOM 527 CD1 PHE A 32 -11.629 0.617 5.675 1.00 0.00 C ATOM 528 CD2 PHE A 32 -13.229 0.760 3.858 1.00 0.00 C ATOM 529 CE1 PHE A 32 -12.649 0.201 6.540 1.00 0.00 C ATOM 530 CE2 PHE A 32 -14.249 0.346 4.723 1.00 0.00 C ATOM 531 CZ PHE A 32 -13.959 0.066 6.063 1.00 0.00 C ATOM 0 H PHE A 32 -8.947 1.718 1.976 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.299 0.068 4.300 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.391 2.283 3.749 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -11.230 1.533 2.405 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.619 0.723 6.042 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -13.452 0.975 2.823 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -12.426 -0.016 7.574 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -15.260 0.243 4.356 1.00 0.00 H new ATOM 0 HZ PHE A 32 -14.746 -0.254 6.730 1.00 0.00 H new ATOM 541 N ILE A 33 -10.973 -1.019 1.684 1.00 0.00 N ATOM 542 CA ILE A 33 -11.556 -2.270 1.126 1.00 0.00 C ATOM 543 C ILE A 33 -10.437 -3.218 0.690 1.00 0.00 C ATOM 544 O ILE A 33 -10.533 -4.419 0.851 1.00 0.00 O ATOM 545 CB ILE A 33 -12.384 -1.821 -0.068 1.00 0.00 C ATOM 546 CG1 ILE A 33 -13.472 -0.852 0.403 1.00 0.00 C ATOM 547 CG2 ILE A 33 -13.033 -3.038 -0.731 1.00 0.00 C ATOM 548 CD1 ILE A 33 -14.368 -1.543 1.431 1.00 0.00 C ATOM 0 H ILE A 33 -11.125 -0.181 1.123 1.00 0.00 H new ATOM 0 HA ILE A 33 -12.162 -2.810 1.854 1.00 0.00 H new ATOM 0 HB ILE A 33 -11.738 -1.320 -0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -13.017 0.036 0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.068 -0.518 -0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -13.626 -2.713 -1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.257 -3.726 -1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -13.679 -3.543 -0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -15.141 -0.850 1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -14.835 -2.417 0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -13.768 -1.855 2.286 1.00 0.00 H new ATOM 560 N ASN A 34 -9.368 -2.691 0.152 1.00 0.00 N ATOM 561 CA ASN A 34 -8.243 -3.568 -0.275 1.00 0.00 C ATOM 562 C ASN A 34 -7.789 -4.421 0.909 1.00 0.00 C ATOM 563 O ASN A 34 -7.588 -5.613 0.790 1.00 0.00 O ATOM 564 CB ASN A 34 -7.132 -2.611 -0.711 1.00 0.00 C ATOM 565 CG ASN A 34 -5.920 -3.415 -1.189 1.00 0.00 C ATOM 566 OD1 ASN A 34 -6.016 -4.181 -2.126 1.00 0.00 O ATOM 567 ND2 ASN A 34 -4.776 -3.269 -0.579 1.00 0.00 N ATOM 0 H ASN A 34 -9.228 -1.694 -0.009 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.521 -4.248 -1.080 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.490 -1.963 -1.511 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.848 -1.965 0.120 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.961 -3.799 -0.889 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.696 -2.625 0.208 1.00 0.00 H new ATOM 574 N PHE A 35 -7.645 -3.818 2.056 1.00 0.00 N ATOM 575 CA PHE A 35 -7.226 -4.591 3.255 1.00 0.00 C ATOM 576 C PHE A 35 -8.296 -5.635 3.576 1.00 0.00 C ATOM 577 O PHE A 35 -8.015 -6.685 4.119 1.00 0.00 O ATOM 578 CB PHE A 35 -7.112 -3.546 4.371 1.00 0.00 C ATOM 579 CG PHE A 35 -6.656 -4.199 5.657 1.00 0.00 C ATOM 580 CD1 PHE A 35 -7.497 -5.093 6.336 1.00 0.00 C ATOM 581 CD2 PHE A 35 -5.384 -3.914 6.167 1.00 0.00 C ATOM 582 CE1 PHE A 35 -7.064 -5.696 7.522 1.00 0.00 C ATOM 583 CE2 PHE A 35 -4.952 -4.516 7.354 1.00 0.00 C ATOM 584 CZ PHE A 35 -5.792 -5.407 8.032 1.00 0.00 C ATOM 0 H PHE A 35 -7.800 -2.822 2.214 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.287 -5.128 3.119 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -6.406 -2.768 4.080 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -8.076 -3.060 4.524 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -8.478 -5.316 5.944 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.735 -3.228 5.643 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -7.711 -6.385 8.045 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.971 -4.293 7.747 1.00 0.00 H new ATOM 0 HZ PHE A 35 -5.459 -5.872 8.948 1.00 0.00 H new ATOM 594 N CYS A 36 -9.524 -5.351 3.236 1.00 0.00 N ATOM 595 CA CYS A 36 -10.622 -6.314 3.504 1.00 0.00 C ATOM 596 C CYS A 36 -10.909 -7.164 2.258 1.00 0.00 C ATOM 597 O CYS A 36 -11.803 -7.988 2.257 1.00 0.00 O ATOM 598 CB CYS A 36 -11.832 -5.445 3.849 1.00 0.00 C ATOM 599 SG CYS A 36 -11.470 -4.463 5.326 1.00 0.00 S ATOM 0 H CYS A 36 -9.812 -4.485 2.781 1.00 0.00 H new ATOM 0 HA CYS A 36 -10.372 -7.008 4.306 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -12.072 -4.788 3.013 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -12.706 -6.073 4.022 1.00 0.00 H new ATOM 0 HG CYS A 36 -10.882 -3.357 4.978 1.00 0.00 H new ATOM 605 N LEU A 37 -10.168 -6.971 1.199 1.00 0.00 N ATOM 606 CA LEU A 37 -10.409 -7.761 -0.033 1.00 0.00 C ATOM 607 C LEU A 37 -9.183 -8.601 -0.392 1.00 0.00 C ATOM 608 O LEU A 37 -9.250 -9.473 -1.228 1.00 0.00 O ATOM 609 CB LEU A 37 -10.687 -6.734 -1.117 1.00 0.00 C ATOM 610 CG LEU A 37 -10.997 -7.455 -2.427 1.00 0.00 C ATOM 611 CD1 LEU A 37 -12.198 -8.388 -2.237 1.00 0.00 C ATOM 612 CD2 LEU A 37 -11.329 -6.420 -3.490 1.00 0.00 C ATOM 0 H LEU A 37 -9.405 -6.297 1.139 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.237 -8.459 0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.527 -6.102 -0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.825 -6.080 -1.244 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.132 -8.044 -2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.414 -8.899 -3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.968 -9.125 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.067 -7.805 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.552 -6.923 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.196 -5.839 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.477 -5.754 -3.628 1.00 0.00 H new ATOM 624 N ILE A 38 -8.064 -8.353 0.229 1.00 0.00 N ATOM 625 CA ILE A 38 -6.850 -9.156 -0.090 1.00 0.00 C ATOM 626 C ILE A 38 -6.439 -9.991 1.124 1.00 0.00 C ATOM 627 O ILE A 38 -5.725 -10.969 1.007 1.00 0.00 O ATOM 628 CB ILE A 38 -5.774 -8.134 -0.428 1.00 0.00 C ATOM 629 CG1 ILE A 38 -6.245 -7.260 -1.594 1.00 0.00 C ATOM 630 CG2 ILE A 38 -4.484 -8.857 -0.818 1.00 0.00 C ATOM 631 CD1 ILE A 38 -6.499 -8.138 -2.821 1.00 0.00 C ATOM 0 H ILE A 38 -7.937 -7.633 0.940 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.018 -9.851 -0.912 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.587 -7.505 0.443 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.156 -6.729 -1.319 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.493 -6.505 -1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.715 -8.124 -1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.147 -9.475 0.014 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.669 -9.488 -1.687 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.834 -7.516 -3.651 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.577 -8.649 -3.100 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.267 -8.876 -2.588 1.00 0.00 H new ATOM 643 N LEU A 39 -6.872 -9.603 2.291 1.00 0.00 N ATOM 644 CA LEU A 39 -6.495 -10.359 3.519 1.00 0.00 C ATOM 645 C LEU A 39 -6.881 -11.840 3.399 1.00 0.00 C ATOM 646 O LEU A 39 -6.401 -12.667 4.148 1.00 0.00 O ATOM 647 CB LEU A 39 -7.259 -9.697 4.683 1.00 0.00 C ATOM 648 CG LEU A 39 -8.760 -10.042 4.641 1.00 0.00 C ATOM 649 CD1 LEU A 39 -9.437 -9.482 5.893 1.00 0.00 C ATOM 650 CD2 LEU A 39 -9.417 -9.430 3.404 1.00 0.00 C ATOM 0 H LEU A 39 -7.472 -8.793 2.448 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.417 -10.329 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.835 -10.026 5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.132 -8.616 4.635 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.871 -11.126 4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.500 -9.722 5.870 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.984 -9.924 6.780 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.310 -8.400 5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.477 -9.684 3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.304 -8.346 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.939 -9.822 2.506 1.00 0.00 H new ATOM 662 N ILE A 40 -7.749 -12.191 2.480 1.00 0.00 N ATOM 663 CA ILE A 40 -8.136 -13.627 2.371 1.00 0.00 C ATOM 664 C ILE A 40 -8.898 -13.939 1.074 1.00 0.00 C ATOM 665 O ILE A 40 -8.811 -15.036 0.559 1.00 0.00 O ATOM 666 CB ILE A 40 -9.032 -13.875 3.583 1.00 0.00 C ATOM 667 CG1 ILE A 40 -9.466 -15.343 3.603 1.00 0.00 C ATOM 668 CG2 ILE A 40 -10.270 -12.981 3.494 1.00 0.00 C ATOM 669 CD1 ILE A 40 -10.366 -15.593 4.814 1.00 0.00 C ATOM 0 H ILE A 40 -8.196 -11.559 1.816 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.254 -14.267 2.347 1.00 0.00 H new ATOM 0 HB ILE A 40 -8.481 -13.644 4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -9.999 -15.588 2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -8.591 -15.991 3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -10.909 -13.158 4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -9.963 -11.935 3.477 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -10.821 -13.212 2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -10.675 -16.638 4.828 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -9.818 -15.364 5.728 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -11.247 -14.955 4.750 1.00 0.00 H new ATOM 681 N PHE A 41 -9.655 -13.013 0.545 1.00 0.00 N ATOM 682 CA PHE A 41 -10.417 -13.320 -0.704 1.00 0.00 C ATOM 683 C PHE A 41 -9.479 -13.731 -1.846 1.00 0.00 C ATOM 684 O PHE A 41 -9.899 -14.338 -2.810 1.00 0.00 O ATOM 685 CB PHE A 41 -11.173 -12.036 -1.032 1.00 0.00 C ATOM 686 CG PHE A 41 -12.280 -11.853 -0.021 1.00 0.00 C ATOM 687 CD1 PHE A 41 -13.353 -12.752 0.004 1.00 0.00 C ATOM 688 CD2 PHE A 41 -12.230 -10.798 0.897 1.00 0.00 C ATOM 689 CE1 PHE A 41 -14.378 -12.593 0.942 1.00 0.00 C ATOM 690 CE2 PHE A 41 -13.256 -10.639 1.836 1.00 0.00 C ATOM 691 CZ PHE A 41 -14.332 -11.537 1.858 1.00 0.00 C ATOM 0 H PHE A 41 -9.778 -12.071 0.916 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.094 -14.163 -0.570 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.496 -11.182 -1.009 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.586 -12.088 -2.039 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -13.389 -13.569 -0.702 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -11.400 -10.107 0.881 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.206 -13.286 0.959 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -13.218 -9.824 2.544 1.00 0.00 H new ATOM 0 HZ PHE A 41 -15.124 -11.414 2.581 1.00 0.00 H new ATOM 701 N LEU A 42 -8.214 -13.428 -1.746 1.00 0.00 N ATOM 702 CA LEU A 42 -7.271 -13.832 -2.825 1.00 0.00 C ATOM 703 C LEU A 42 -6.624 -15.180 -2.490 1.00 0.00 C ATOM 704 O LEU A 42 -6.093 -15.853 -3.350 1.00 0.00 O ATOM 705 CB LEU A 42 -6.217 -12.724 -2.903 1.00 0.00 C ATOM 706 CG LEU A 42 -6.774 -11.529 -3.684 1.00 0.00 C ATOM 707 CD1 LEU A 42 -7.106 -11.968 -5.111 1.00 0.00 C ATOM 708 CD2 LEU A 42 -8.040 -11.004 -3.011 1.00 0.00 C ATOM 0 H LEU A 42 -7.794 -12.920 -0.967 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.782 -13.955 -3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.930 -12.412 -1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.317 -13.100 -3.389 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.026 -10.737 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.503 -11.120 -5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.202 -12.333 -5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.850 -12.764 -5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.427 -10.155 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.791 -11.793 -2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.807 -10.688 -1.994 1.00 0.00 H new ATOM 720 N LEU A 43 -6.670 -15.580 -1.250 1.00 0.00 N ATOM 721 CA LEU A 43 -6.065 -16.880 -0.867 1.00 0.00 C ATOM 722 C LEU A 43 -7.111 -17.995 -0.974 1.00 0.00 C ATOM 723 O LEU A 43 -6.879 -19.024 -1.576 1.00 0.00 O ATOM 724 CB LEU A 43 -5.613 -16.699 0.582 1.00 0.00 C ATOM 725 CG LEU A 43 -4.953 -17.988 1.077 1.00 0.00 C ATOM 726 CD1 LEU A 43 -3.738 -18.304 0.200 1.00 0.00 C ATOM 727 CD2 LEU A 43 -4.503 -17.806 2.528 1.00 0.00 C ATOM 0 H LEU A 43 -7.102 -15.060 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.234 -17.159 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.911 -15.868 0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.467 -16.450 1.212 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.667 -18.809 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.265 -19.222 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.059 -18.433 -0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.024 -17.483 0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.033 -18.724 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.787 -16.986 2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.368 -17.578 3.151 1.00 0.00 H new ATOM 739 N LEU A 44 -8.263 -17.797 -0.387 1.00 0.00 N ATOM 740 CA LEU A 44 -9.325 -18.834 -0.441 1.00 0.00 C ATOM 741 C LEU A 44 -9.652 -19.177 -1.901 1.00 0.00 C ATOM 742 O LEU A 44 -9.847 -20.325 -2.251 1.00 0.00 O ATOM 743 CB LEU A 44 -10.523 -18.172 0.246 1.00 0.00 C ATOM 744 CG LEU A 44 -11.553 -19.234 0.625 1.00 0.00 C ATOM 745 CD1 LEU A 44 -12.682 -18.583 1.429 1.00 0.00 C ATOM 746 CD2 LEU A 44 -12.141 -19.877 -0.632 1.00 0.00 C ATOM 0 H LEU A 44 -8.511 -16.954 0.130 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.036 -19.769 0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.193 -17.637 1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.974 -17.436 -0.419 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.062 -20.002 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.418 -19.339 1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.272 -18.134 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.160 -17.811 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.873 -20.632 -0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.626 -19.112 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.343 -20.346 -1.208 1.00 0.00 H new ATOM 758 N ILE A 45 -9.725 -18.191 -2.751 1.00 0.00 N ATOM 759 CA ILE A 45 -10.054 -18.453 -4.184 1.00 0.00 C ATOM 760 C ILE A 45 -9.078 -19.491 -4.768 1.00 0.00 C ATOM 761 O ILE A 45 -9.402 -20.211 -5.690 1.00 0.00 O ATOM 762 CB ILE A 45 -9.910 -17.078 -4.861 1.00 0.00 C ATOM 763 CG1 ILE A 45 -10.477 -17.109 -6.291 1.00 0.00 C ATOM 764 CG2 ILE A 45 -8.434 -16.667 -4.907 1.00 0.00 C ATOM 765 CD1 ILE A 45 -9.650 -18.027 -7.196 1.00 0.00 C ATOM 0 H ILE A 45 -9.571 -17.211 -2.516 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.051 -18.868 -4.332 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.474 -16.352 -4.276 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.511 -17.453 -6.267 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.486 -16.100 -6.703 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.342 -15.693 -5.388 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.041 -16.609 -3.892 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.868 -17.406 -5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.075 -18.028 -8.200 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.622 -17.667 -7.238 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.663 -19.041 -6.795 1.00 0.00 H new ATOM 777 N CYS A 46 -7.888 -19.566 -4.243 1.00 0.00 N ATOM 778 CA CYS A 46 -6.897 -20.545 -4.776 1.00 0.00 C ATOM 779 C CYS A 46 -7.217 -21.968 -4.311 1.00 0.00 C ATOM 780 O CYS A 46 -6.691 -22.933 -4.827 1.00 0.00 O ATOM 781 CB CYS A 46 -5.569 -20.091 -4.201 1.00 0.00 C ATOM 782 SG CYS A 46 -4.236 -21.129 -4.850 1.00 0.00 S ATOM 0 H CYS A 46 -7.557 -18.992 -3.467 1.00 0.00 H new ATOM 0 HA CYS A 46 -6.899 -20.572 -5.866 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -5.388 -19.047 -4.458 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.593 -20.152 -3.113 1.00 0.00 H new ATOM 0 HG CYS A 46 -4.659 -22.352 -4.971 1.00 0.00 H new ATOM 788 N ILE A 47 -8.068 -22.111 -3.340 1.00 0.00 N ATOM 789 CA ILE A 47 -8.411 -23.469 -2.851 1.00 0.00 C ATOM 790 C ILE A 47 -9.395 -24.144 -3.819 1.00 0.00 C ATOM 791 O ILE A 47 -9.446 -25.355 -3.915 1.00 0.00 O ATOM 792 CB ILE A 47 -9.041 -23.257 -1.463 1.00 0.00 C ATOM 793 CG1 ILE A 47 -7.957 -22.883 -0.437 1.00 0.00 C ATOM 794 CG2 ILE A 47 -9.731 -24.538 -1.002 1.00 0.00 C ATOM 795 CD1 ILE A 47 -7.312 -21.541 -0.790 1.00 0.00 C ATOM 0 H ILE A 47 -8.542 -21.344 -2.863 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.540 -24.122 -2.790 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.769 -22.449 -1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.396 -22.829 0.559 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.194 -23.661 -0.407 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.174 -24.379 -0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.512 -24.807 -1.713 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.000 -25.345 -0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.549 -21.298 -0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.853 -21.606 -1.777 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.074 -20.761 -0.795 1.00 0.00 H new ATOM 807 N ILE A 48 -10.178 -23.378 -4.530 1.00 0.00 N ATOM 808 CA ILE A 48 -11.149 -23.991 -5.480 1.00 0.00 C ATOM 809 C ILE A 48 -10.540 -24.092 -6.883 1.00 0.00 C ATOM 810 O ILE A 48 -10.926 -24.928 -7.674 1.00 0.00 O ATOM 811 CB ILE A 48 -12.372 -23.068 -5.487 1.00 0.00 C ATOM 812 CG1 ILE A 48 -11.985 -21.687 -6.021 1.00 0.00 C ATOM 813 CG2 ILE A 48 -12.911 -22.920 -4.064 1.00 0.00 C ATOM 814 CD1 ILE A 48 -13.235 -20.812 -6.118 1.00 0.00 C ATOM 0 H ILE A 48 -10.187 -22.359 -4.494 1.00 0.00 H new ATOM 0 HA ILE A 48 -11.417 -25.004 -5.178 1.00 0.00 H new ATOM 0 HB ILE A 48 -13.138 -23.503 -6.130 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -11.252 -21.222 -5.361 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -11.517 -21.782 -7.001 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -13.781 -22.263 -4.071 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -13.198 -23.899 -3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -12.138 -22.492 -3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -12.962 -19.828 -6.498 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -13.952 -21.276 -6.795 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -13.684 -20.708 -5.130 1.00 0.00 H new ATOM 826 N VAL A 49 -9.594 -23.251 -7.201 1.00 0.00 N ATOM 827 CA VAL A 49 -8.972 -23.315 -8.558 1.00 0.00 C ATOM 828 C VAL A 49 -8.047 -24.535 -8.651 1.00 0.00 C ATOM 829 O VAL A 49 -7.932 -25.165 -9.684 1.00 0.00 O ATOM 830 CB VAL A 49 -8.167 -22.017 -8.699 1.00 0.00 C ATOM 831 CG1 VAL A 49 -9.085 -20.814 -8.473 1.00 0.00 C ATOM 832 CG2 VAL A 49 -7.028 -21.997 -7.687 1.00 0.00 C ATOM 0 H VAL A 49 -9.225 -22.526 -6.586 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.716 -23.413 -9.348 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.748 -21.965 -9.704 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.510 -19.894 -8.574 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -9.886 -20.824 -9.212 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -9.514 -20.866 -7.472 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.462 -21.072 -7.795 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.436 -22.057 -6.678 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.370 -22.848 -7.863 1.00 0.00 H new ATOM 842 N MET A 50 -7.384 -24.864 -7.575 1.00 0.00 N ATOM 843 CA MET A 50 -6.461 -26.031 -7.588 1.00 0.00 C ATOM 844 C MET A 50 -7.243 -27.348 -7.609 1.00 0.00 C ATOM 845 O MET A 50 -6.699 -28.395 -7.899 1.00 0.00 O ATOM 846 CB MET A 50 -5.664 -25.909 -6.297 1.00 0.00 C ATOM 847 CG MET A 50 -4.860 -24.609 -6.308 1.00 0.00 C ATOM 848 SD MET A 50 -3.654 -24.656 -7.656 1.00 0.00 S ATOM 849 CE MET A 50 -2.740 -26.112 -7.088 1.00 0.00 C ATOM 0 H MET A 50 -7.444 -24.371 -6.684 1.00 0.00 H new ATOM 0 HA MET A 50 -5.824 -26.036 -8.473 1.00 0.00 H new ATOM 0 HB2 MET A 50 -6.337 -25.924 -5.440 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.993 -26.762 -6.190 1.00 0.00 H new ATOM 0 HG2 MET A 50 -5.528 -23.757 -6.433 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.350 -24.476 -5.354 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.704 -26.044 -7.421 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.769 -26.158 -5.999 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.196 -27.012 -7.501 1.00 0.00 H new ATOM 859 N LEU A 51 -8.509 -27.310 -7.294 1.00 0.00 N ATOM 860 CA LEU A 51 -9.307 -28.570 -7.288 1.00 0.00 C ATOM 861 C LEU A 51 -10.510 -28.453 -8.228 1.00 0.00 C ATOM 862 O LEU A 51 -10.769 -29.328 -9.031 1.00 0.00 O ATOM 863 CB LEU A 51 -9.770 -28.732 -5.841 1.00 0.00 C ATOM 864 CG LEU A 51 -8.549 -28.827 -4.925 1.00 0.00 C ATOM 865 CD1 LEU A 51 -9.009 -28.978 -3.473 1.00 0.00 C ATOM 866 CD2 LEU A 51 -7.709 -30.042 -5.323 1.00 0.00 C ATOM 0 H LEU A 51 -9.023 -26.466 -7.042 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.726 -29.425 -7.633 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.392 -27.886 -5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.383 -29.628 -5.742 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.950 -27.922 -5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.138 -29.046 -2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.609 -28.113 -3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.608 -29.883 -3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.838 -30.111 -4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.309 -30.947 -5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.381 -29.935 -6.357 1.00 0.00 H new ATOM 878 N LEU A 52 -11.251 -27.384 -8.132 1.00 0.00 N ATOM 879 CA LEU A 52 -12.440 -27.219 -9.016 1.00 0.00 C ATOM 880 C LEU A 52 -12.128 -26.246 -10.155 1.00 0.00 C ATOM 881 O LEU A 52 -12.981 -26.072 -11.011 1.00 0.00 O ATOM 882 CB LEU A 52 -13.529 -26.649 -8.107 1.00 0.00 C ATOM 883 CG LEU A 52 -13.791 -27.619 -6.953 1.00 0.00 C ATOM 884 CD1 LEU A 52 -14.884 -27.047 -6.048 1.00 0.00 C ATOM 885 CD2 LEU A 52 -14.244 -28.968 -7.510 1.00 0.00 C ATOM 886 OXT LEU A 52 -11.042 -25.689 -10.152 1.00 0.00 O ATOM 0 H LEU A 52 -11.085 -26.617 -7.480 1.00 0.00 H new ATOM 0 HA LEU A 52 -12.742 -28.158 -9.479 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -13.221 -25.679 -7.717 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -14.445 -26.488 -8.676 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.875 -27.755 -6.378 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -15.073 -27.736 -5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -14.560 -26.086 -5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -15.799 -26.911 -6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -14.430 -29.658 -6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -15.160 -28.835 -8.086 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.466 -29.375 -8.155 1.00 0.00 H new