USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 709 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 13 HIS : no HE2:sc= -2.65! C(o=-4.3!,f=-7.9!) USER MOD Set 1.2: A 104 CYS SG : rot 180:sc= -1.66 USER MOD Set 2.1: A 92 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 96 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Set 3.1: A 91 GLN : amide:sc= -0.3 K(o=-0.19,f=-3.3!) USER MOD Set 3.2: A 95 SER OG : rot 141:sc= 0.113 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 30:sc= -0.0138 USER MOD Single : A 55 LYS NZ :NH3+ -116:sc= 0.101 (180deg=-0.00141) USER MOD Single : A 61 SER OG : rot -130:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot -76:sc= 0.638 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 154:sc= -0.367 (180deg=-2.13!) USER MOD Single : A 73 GLN : amide:sc= -0.0332 K(o=-0.033,f=-0.94) USER MOD Single : A 78 ASN : amide:sc= -1.74 K(o=-1.7,f=-5.6!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -54:sc= 0.0874 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -129:sc= 0.0499 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -3.03! C(o=-3!,f=-5.4!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.819 X(o=-0.82,f=-1.3!) USER MOD Single : A 111 MET CE :methyl -174:sc= -1 (180deg=-1.02) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -8.700 -13.122 5.027 1.00 0.00 N ATOM 84 CA TYR A 9 -8.728 -13.739 3.711 1.00 0.00 C ATOM 85 C TYR A 9 -8.393 -15.229 3.795 1.00 0.00 C ATOM 86 O TYR A 9 -8.030 -15.727 4.860 1.00 0.00 O ATOM 87 CB TYR A 9 -7.647 -13.030 2.891 1.00 0.00 C ATOM 88 CG TYR A 9 -8.146 -11.799 2.133 1.00 0.00 C ATOM 89 CD1 TYR A 9 -9.252 -11.894 1.314 1.00 0.00 C ATOM 90 CD2 TYR A 9 -7.490 -10.592 2.270 1.00 0.00 C ATOM 91 CE1 TYR A 9 -9.722 -10.735 0.601 1.00 0.00 C ATOM 92 CE2 TYR A 9 -7.961 -9.433 1.558 1.00 0.00 C ATOM 93 CZ TYR A 9 -9.053 -9.561 0.758 1.00 0.00 C ATOM 94 OH TYR A 9 -9.497 -8.466 0.085 1.00 0.00 O ATOM 0 HA TYR A 9 -9.719 -13.648 3.266 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.838 -12.730 3.558 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.225 -13.737 2.177 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.765 -12.838 1.208 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.624 -10.517 2.911 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -10.586 -10.796 -0.044 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.458 -8.482 1.657 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.924 -7.699 0.294 1.00 0.00 H new ATOM 104 N ILE A 10 -8.527 -15.898 2.660 1.00 0.00 N ATOM 105 CA ILE A 10 -8.243 -17.322 2.593 1.00 0.00 C ATOM 106 C ILE A 10 -6.729 -17.533 2.523 1.00 0.00 C ATOM 107 O ILE A 10 -6.243 -18.640 2.751 1.00 0.00 O ATOM 108 CB ILE A 10 -9.008 -17.966 1.435 1.00 0.00 C ATOM 109 CG1 ILE A 10 -8.823 -17.166 0.144 1.00 0.00 C ATOM 110 CG2 ILE A 10 -10.484 -18.152 1.789 1.00 0.00 C ATOM 111 CD1 ILE A 10 -8.664 -18.097 -1.060 1.00 0.00 C ATOM 0 H ILE A 10 -8.828 -15.481 1.779 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.594 -17.824 3.495 1.00 0.00 H new ATOM 0 HB ILE A 10 -8.592 -18.958 1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.681 -16.512 -0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.945 -16.526 0.231 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.005 -18.612 0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -10.570 -18.795 2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.931 -17.182 2.006 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.534 -17.503 -1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.791 -18.733 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.554 -18.719 -1.159 1.00 0.00 H new ATOM 123 N PHE A 11 -6.027 -16.454 2.210 1.00 0.00 N ATOM 124 CA PHE A 11 -4.578 -16.508 2.107 1.00 0.00 C ATOM 125 C PHE A 11 -3.919 -15.782 3.282 1.00 0.00 C ATOM 126 O PHE A 11 -4.561 -14.982 3.961 1.00 0.00 O ATOM 127 CB PHE A 11 -4.196 -15.801 0.806 1.00 0.00 C ATOM 128 CG PHE A 11 -4.855 -14.431 0.624 1.00 0.00 C ATOM 129 CD1 PHE A 11 -4.238 -13.312 1.090 1.00 0.00 C ATOM 130 CD2 PHE A 11 -6.057 -14.334 -0.002 1.00 0.00 C ATOM 131 CE1 PHE A 11 -4.850 -12.042 0.921 1.00 0.00 C ATOM 132 CE2 PHE A 11 -6.669 -13.063 -0.171 1.00 0.00 C ATOM 133 CZ PHE A 11 -6.053 -11.944 0.294 1.00 0.00 C ATOM 0 H PHE A 11 -6.434 -15.537 2.024 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.241 -17.545 2.120 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.113 -15.679 0.776 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.469 -16.438 -0.035 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.283 -13.389 1.588 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -6.547 -15.223 -0.371 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.360 -11.153 1.291 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -7.624 -12.986 -0.669 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.518 -10.978 0.166 1.00 0.00 H new ATOM 143 N PRO A 12 -2.613 -16.095 3.490 1.00 0.00 N ATOM 144 CA PRO A 12 -1.859 -15.481 4.571 1.00 0.00 C ATOM 145 C PRO A 12 -1.494 -14.035 4.232 1.00 0.00 C ATOM 146 O PRO A 12 -0.836 -13.776 3.226 1.00 0.00 O ATOM 147 CB PRO A 12 -0.642 -16.373 4.756 1.00 0.00 C ATOM 148 CG PRO A 12 -0.518 -17.182 3.477 1.00 0.00 C ATOM 149 CD PRO A 12 -1.820 -17.037 2.706 1.00 0.00 C ATOM 0 HA PRO A 12 -2.430 -15.411 5.497 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.255 -15.778 4.930 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.764 -17.026 5.620 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.321 -16.826 2.880 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.324 -18.230 3.705 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.643 -16.662 1.698 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.329 -17.995 2.605 1.00 0.00 H new ATOM 157 N HIS A 13 -1.937 -13.130 5.093 1.00 0.00 N ATOM 158 CA HIS A 13 -1.666 -11.716 4.898 1.00 0.00 C ATOM 159 C HIS A 13 -1.356 -11.062 6.246 1.00 0.00 C ATOM 160 O HIS A 13 -1.642 -11.633 7.297 1.00 0.00 O ATOM 161 CB HIS A 13 -2.822 -11.037 4.161 1.00 0.00 C ATOM 162 CG HIS A 13 -3.912 -10.522 5.071 1.00 0.00 C ATOM 163 ND1 HIS A 13 -4.244 -11.138 6.265 1.00 0.00 N ATOM 164 CD2 HIS A 13 -4.740 -9.445 4.948 1.00 0.00 C ATOM 165 CE1 HIS A 13 -5.230 -10.454 6.828 1.00 0.00 C ATOM 166 NE2 HIS A 13 -5.535 -9.406 6.010 1.00 0.00 N ATOM 0 H HIS A 13 -2.482 -13.349 5.927 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.788 -11.595 4.264 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.428 -10.206 3.576 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.256 -11.746 3.456 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -3.805 -11.976 6.647 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.747 -8.744 4.127 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.708 -10.686 7.769 1.00 0.00 H new ATOM 174 N ALA A 14 -0.777 -9.873 6.172 1.00 0.00 N ATOM 175 CA ALA A 14 -0.426 -9.135 7.374 1.00 0.00 C ATOM 176 C ALA A 14 -0.989 -7.716 7.278 1.00 0.00 C ATOM 177 O ALA A 14 -0.443 -6.874 6.568 1.00 0.00 O ATOM 178 CB ALA A 14 1.093 -9.149 7.555 1.00 0.00 C ATOM 0 H ALA A 14 -0.542 -9.402 5.298 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.864 -9.604 8.255 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.357 -8.596 8.456 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.439 -10.179 7.647 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.567 -8.683 6.691 1.00 0.00 H new ATOM 184 N ARG A 15 -2.075 -7.494 8.004 1.00 0.00 N ATOM 185 CA ARG A 15 -2.718 -6.191 8.010 1.00 0.00 C ATOM 186 C ARG A 15 -2.167 -5.332 9.150 1.00 0.00 C ATOM 187 O ARG A 15 -2.702 -5.345 10.257 1.00 0.00 O ATOM 188 CB ARG A 15 -4.234 -6.326 8.170 1.00 0.00 C ATOM 189 CG ARG A 15 -4.940 -6.210 6.817 1.00 0.00 C ATOM 190 CD ARG A 15 -6.345 -5.627 6.981 1.00 0.00 C ATOM 191 NE ARG A 15 -7.360 -6.680 6.761 1.00 0.00 N ATOM 192 CZ ARG A 15 -7.704 -7.596 7.676 1.00 0.00 C ATOM 193 NH1 ARG A 15 -7.116 -7.592 8.881 1.00 0.00 N ATOM 194 NH2 ARG A 15 -8.636 -8.514 7.388 1.00 0.00 N ATOM 0 H ARG A 15 -2.526 -8.195 8.592 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.506 -5.712 7.054 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.471 -7.287 8.627 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.603 -5.553 8.844 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.355 -5.576 6.150 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.002 -7.193 6.350 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.458 -5.205 7.980 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.495 -4.813 6.272 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.828 -6.711 5.855 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.407 -6.892 9.100 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.377 -8.289 9.578 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.084 -8.516 6.472 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.898 -9.211 8.085 1.00 0.00 H new ATOM 208 N ILE A 16 -1.103 -4.606 8.839 1.00 0.00 N ATOM 209 CA ILE A 16 -0.473 -3.742 9.823 1.00 0.00 C ATOM 210 C ILE A 16 -0.565 -2.289 9.353 1.00 0.00 C ATOM 211 O ILE A 16 -0.325 -1.995 8.183 1.00 0.00 O ATOM 212 CB ILE A 16 0.957 -4.207 10.107 1.00 0.00 C ATOM 213 CG1 ILE A 16 0.961 -5.529 10.878 1.00 0.00 C ATOM 214 CG2 ILE A 16 1.755 -3.120 10.830 1.00 0.00 C ATOM 215 CD1 ILE A 16 0.870 -6.722 9.924 1.00 0.00 C ATOM 0 H ILE A 16 -0.661 -4.598 7.920 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.999 -3.803 10.776 1.00 0.00 H new ATOM 0 HB ILE A 16 1.452 -4.389 9.153 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.871 -5.604 11.473 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.122 -5.551 11.574 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.767 -3.477 11.019 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.796 -2.225 10.209 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.271 -2.883 11.777 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.875 -7.648 10.498 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.053 -6.657 9.347 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.723 -6.711 9.246 1.00 0.00 H new ATOM 227 N LYS A 17 -0.912 -1.419 10.291 1.00 0.00 N ATOM 228 CA LYS A 17 -1.038 -0.003 9.987 1.00 0.00 C ATOM 229 C LYS A 17 0.325 0.673 10.153 1.00 0.00 C ATOM 230 O LYS A 17 1.044 0.400 11.112 1.00 0.00 O ATOM 231 CB LYS A 17 -2.145 0.629 10.832 1.00 0.00 C ATOM 232 CG LYS A 17 -1.657 1.916 11.500 1.00 0.00 C ATOM 233 CD LYS A 17 -1.014 1.622 12.856 1.00 0.00 C ATOM 234 CE LYS A 17 -2.079 1.410 13.933 1.00 0.00 C ATOM 235 NZ LYS A 17 -2.316 2.665 14.682 1.00 0.00 N ATOM 0 H LYS A 17 -1.110 -1.667 11.260 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.340 0.139 8.949 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.008 0.846 10.203 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.475 -0.078 11.593 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.936 2.415 10.852 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.494 2.601 11.632 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.387 0.734 12.780 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.363 2.449 13.141 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.008 1.073 13.473 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.760 0.625 14.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.042 2.503 15.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.432 2.970 15.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.641 3.404 14.027 1.00 0.00 H new ATOM 249 N ILE A 18 0.638 1.542 9.202 1.00 0.00 N ATOM 250 CA ILE A 18 1.901 2.259 9.232 1.00 0.00 C ATOM 251 C ILE A 18 1.942 3.161 10.466 1.00 0.00 C ATOM 252 O ILE A 18 1.088 4.030 10.633 1.00 0.00 O ATOM 253 CB ILE A 18 2.122 3.007 7.915 1.00 0.00 C ATOM 254 CG1 ILE A 18 1.935 2.076 6.716 1.00 0.00 C ATOM 255 CG2 ILE A 18 3.488 3.696 7.899 1.00 0.00 C ATOM 256 CD1 ILE A 18 2.934 0.918 6.761 1.00 0.00 C ATOM 0 H ILE A 18 0.039 1.765 8.407 1.00 0.00 H new ATOM 0 HA ILE A 18 2.734 1.561 9.320 1.00 0.00 H new ATOM 0 HB ILE A 18 1.366 3.788 7.835 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.918 1.684 6.711 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.065 2.638 5.791 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.620 4.220 6.952 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.545 4.410 8.720 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.274 2.949 8.013 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.780 0.271 5.898 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.950 1.313 6.742 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.785 0.344 7.676 1.00 0.00 H new ATOM 268 N THR A 19 2.945 2.924 11.300 1.00 0.00 N ATOM 269 CA THR A 19 3.109 3.705 12.514 1.00 0.00 C ATOM 270 C THR A 19 4.401 4.522 12.452 1.00 0.00 C ATOM 271 O THR A 19 5.433 4.026 12.002 1.00 0.00 O ATOM 272 CB THR A 19 3.054 2.744 13.704 1.00 0.00 C ATOM 273 OG1 THR A 19 3.084 1.450 13.108 1.00 0.00 O ATOM 274 CG2 THR A 19 1.708 2.788 14.430 1.00 0.00 C ATOM 0 H THR A 19 3.652 2.202 11.158 1.00 0.00 H new ATOM 0 HA THR A 19 2.306 4.434 12.628 1.00 0.00 H new ATOM 0 HB THR A 19 3.853 2.988 14.404 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.053 0.766 13.809 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.722 2.088 15.265 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.529 3.796 14.804 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.912 2.511 13.738 1.00 0.00 H new ATOM 449 N LEU A 32 4.932 9.974 6.334 1.00 0.00 N ATOM 450 CA LEU A 32 4.919 8.606 5.846 1.00 0.00 C ATOM 451 C LEU A 32 5.741 8.520 4.560 1.00 0.00 C ATOM 452 O LEU A 32 5.759 9.459 3.766 1.00 0.00 O ATOM 453 CB LEU A 32 3.481 8.104 5.692 1.00 0.00 C ATOM 454 CG LEU A 32 3.018 7.071 6.720 1.00 0.00 C ATOM 455 CD1 LEU A 32 2.929 7.687 8.117 1.00 0.00 C ATOM 456 CD2 LEU A 32 1.696 6.428 6.293 1.00 0.00 C ATOM 0 HA LEU A 32 5.388 7.940 6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.810 8.962 5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.373 7.671 4.697 1.00 0.00 H new ATOM 0 HG LEU A 32 3.764 6.278 6.766 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.597 6.930 8.828 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.910 8.059 8.414 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.216 8.512 8.106 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.389 5.697 7.041 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.930 7.198 6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.827 5.930 5.332 1.00 0.00 H new ATOM 468 N GLY A 33 6.403 7.384 4.392 1.00 0.00 N ATOM 469 CA GLY A 33 7.226 7.163 3.215 1.00 0.00 C ATOM 470 C GLY A 33 7.122 5.713 2.738 1.00 0.00 C ATOM 471 O GLY A 33 7.654 4.806 3.377 1.00 0.00 O ATOM 0 H GLY A 33 6.386 6.607 5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.913 7.836 2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.265 7.401 3.443 1.00 0.00 H new ATOM 475 N ILE A 34 6.434 5.540 1.619 1.00 0.00 N ATOM 476 CA ILE A 34 6.254 4.215 1.049 1.00 0.00 C ATOM 477 C ILE A 34 6.007 4.341 -0.455 1.00 0.00 C ATOM 478 O ILE A 34 5.123 5.084 -0.882 1.00 0.00 O ATOM 479 CB ILE A 34 5.153 3.457 1.792 1.00 0.00 C ATOM 480 CG1 ILE A 34 5.096 1.995 1.346 1.00 0.00 C ATOM 481 CG2 ILE A 34 3.801 4.157 1.633 1.00 0.00 C ATOM 482 CD1 ILE A 34 4.815 1.070 2.532 1.00 0.00 C ATOM 0 H ILE A 34 5.995 6.295 1.092 1.00 0.00 H new ATOM 0 HA ILE A 34 7.159 3.620 1.175 1.00 0.00 H new ATOM 0 HB ILE A 34 5.395 3.460 2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.319 1.871 0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.041 1.717 0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.036 3.597 2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.864 5.167 2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.539 4.206 0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.780 0.037 2.187 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.607 1.178 3.273 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.858 1.335 2.982 1.00 0.00 H new ATOM 494 N ARG A 35 6.801 3.606 -1.218 1.00 0.00 N ATOM 495 CA ARG A 35 6.680 3.627 -2.666 1.00 0.00 C ATOM 496 C ARG A 35 5.992 2.353 -3.158 1.00 0.00 C ATOM 497 O ARG A 35 6.595 1.281 -3.165 1.00 0.00 O ATOM 498 CB ARG A 35 8.051 3.748 -3.332 1.00 0.00 C ATOM 499 CG ARG A 35 8.373 5.206 -3.667 1.00 0.00 C ATOM 500 CD ARG A 35 7.431 5.740 -4.749 1.00 0.00 C ATOM 501 NE ARG A 35 7.115 7.162 -4.488 1.00 0.00 N ATOM 502 CZ ARG A 35 7.960 8.175 -4.726 1.00 0.00 C ATOM 503 NH1 ARG A 35 9.176 7.928 -5.231 1.00 0.00 N ATOM 504 NH2 ARG A 35 7.588 9.434 -4.459 1.00 0.00 N ATOM 0 H ARG A 35 7.532 2.991 -0.861 1.00 0.00 H new ATOM 0 HA ARG A 35 6.080 4.496 -2.936 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.817 3.346 -2.670 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.071 3.149 -4.243 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.285 5.817 -2.769 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.406 5.286 -4.007 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.895 5.636 -5.730 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.513 5.152 -4.766 1.00 0.00 H new ATOM 0 HE ARG A 35 6.197 7.385 -4.103 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.459 6.969 -5.434 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.819 8.699 -5.412 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.662 9.622 -4.075 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.231 10.205 -4.640 1.00 0.00 H new ATOM 518 N ILE A 36 4.739 2.512 -3.558 1.00 0.00 N ATOM 519 CA ILE A 36 3.962 1.387 -4.052 1.00 0.00 C ATOM 520 C ILE A 36 3.567 1.646 -5.507 1.00 0.00 C ATOM 521 O ILE A 36 2.861 2.609 -5.801 1.00 0.00 O ATOM 522 CB ILE A 36 2.771 1.113 -3.131 1.00 0.00 C ATOM 523 CG1 ILE A 36 3.233 0.514 -1.801 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.732 0.232 -3.826 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.142 0.638 -0.735 1.00 0.00 C ATOM 0 H ILE A 36 4.242 3.403 -3.550 1.00 0.00 H new ATOM 0 HA ILE A 36 4.560 0.476 -4.041 1.00 0.00 H new ATOM 0 HB ILE A 36 2.288 2.064 -2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.492 -0.536 -1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.136 1.023 -1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.896 0.053 -3.150 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.371 0.734 -4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.187 -0.720 -4.101 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.496 0.205 0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.903 1.690 -0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.249 0.108 -1.065 1.00 0.00 H new ATOM 537 N VAL A 37 4.039 0.767 -6.380 1.00 0.00 N ATOM 538 CA VAL A 37 3.744 0.888 -7.797 1.00 0.00 C ATOM 539 C VAL A 37 2.482 0.085 -8.121 1.00 0.00 C ATOM 540 O VAL A 37 2.382 -1.089 -7.769 1.00 0.00 O ATOM 541 CB VAL A 37 4.957 0.455 -8.623 1.00 0.00 C ATOM 542 CG1 VAL A 37 4.581 0.270 -10.094 1.00 0.00 C ATOM 543 CG2 VAL A 37 6.107 1.451 -8.472 1.00 0.00 C ATOM 0 H VAL A 37 4.623 -0.031 -6.133 1.00 0.00 H new ATOM 0 HA VAL A 37 3.544 1.927 -8.058 1.00 0.00 H new ATOM 0 HB VAL A 37 5.296 -0.508 -8.241 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.461 -0.038 -10.659 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.810 -0.495 -10.179 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.204 1.211 -10.494 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.956 1.119 -9.069 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.784 2.434 -8.815 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.401 1.511 -7.424 1.00 0.00 H new ATOM 553 N GLY A 38 1.552 0.751 -8.789 1.00 0.00 N ATOM 554 CA GLY A 38 0.301 0.115 -9.165 1.00 0.00 C ATOM 555 C GLY A 38 0.226 -0.097 -10.678 1.00 0.00 C ATOM 556 O GLY A 38 0.619 0.775 -11.451 1.00 0.00 O ATOM 0 H GLY A 38 1.640 1.725 -9.080 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.209 -0.844 -8.655 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.537 0.731 -8.839 1.00 0.00 H new ATOM 560 N GLY A 39 -0.282 -1.262 -11.056 1.00 0.00 N ATOM 561 CA GLY A 39 -0.413 -1.600 -12.463 1.00 0.00 C ATOM 562 C GLY A 39 0.497 -2.774 -12.832 1.00 0.00 C ATOM 563 O GLY A 39 0.600 -3.140 -14.002 1.00 0.00 O ATOM 0 H GLY A 39 -0.607 -1.983 -10.412 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.449 -1.855 -12.684 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.160 -0.733 -13.074 1.00 0.00 H new ATOM 567 N LYS A 40 1.131 -3.332 -11.812 1.00 0.00 N ATOM 568 CA LYS A 40 2.029 -4.457 -12.015 1.00 0.00 C ATOM 569 C LYS A 40 1.218 -5.755 -12.022 1.00 0.00 C ATOM 570 O LYS A 40 0.248 -5.889 -11.277 1.00 0.00 O ATOM 571 CB LYS A 40 3.153 -4.440 -10.977 1.00 0.00 C ATOM 572 CG LYS A 40 4.306 -5.352 -11.402 1.00 0.00 C ATOM 573 CD LYS A 40 5.321 -4.590 -12.258 1.00 0.00 C ATOM 574 CE LYS A 40 6.699 -4.581 -11.594 1.00 0.00 C ATOM 575 NZ LYS A 40 7.674 -5.332 -12.418 1.00 0.00 N ATOM 0 H LYS A 40 1.041 -3.027 -10.843 1.00 0.00 H new ATOM 0 HA LYS A 40 2.521 -4.382 -12.985 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.519 -3.421 -10.849 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.766 -4.764 -10.011 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.800 -5.755 -10.518 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.915 -6.200 -11.964 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.391 -5.051 -13.243 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.979 -3.566 -12.409 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.039 -3.554 -11.462 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.634 -5.025 -10.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.605 -5.317 -11.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.355 -6.316 -12.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.748 -4.891 -13.357 1.00 0.00 H new ATOM 589 N GLU A 41 1.646 -6.679 -12.870 1.00 0.00 N ATOM 590 CA GLU A 41 0.973 -7.961 -12.982 1.00 0.00 C ATOM 591 C GLU A 41 1.320 -8.850 -11.787 1.00 0.00 C ATOM 592 O GLU A 41 2.493 -9.051 -11.479 1.00 0.00 O ATOM 593 CB GLU A 41 1.327 -8.651 -14.301 1.00 0.00 C ATOM 594 CG GLU A 41 0.070 -9.166 -15.006 1.00 0.00 C ATOM 595 CD GLU A 41 0.418 -9.799 -16.355 1.00 0.00 C ATOM 596 OE1 GLU A 41 1.246 -9.194 -17.069 1.00 0.00 O ATOM 597 OE2 GLU A 41 -0.154 -10.873 -16.641 1.00 0.00 O ATOM 0 H GLU A 41 2.451 -6.565 -13.486 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.103 -7.786 -12.978 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.852 -7.952 -14.952 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.007 -9.481 -14.110 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.431 -9.900 -14.374 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.630 -8.344 -15.156 1.00 0.00 H new ATOM 604 N ILE A 42 0.278 -9.359 -11.146 1.00 0.00 N ATOM 605 CA ILE A 42 0.457 -10.222 -9.991 1.00 0.00 C ATOM 606 C ILE A 42 0.997 -11.578 -10.452 1.00 0.00 C ATOM 607 O ILE A 42 0.328 -12.296 -11.193 1.00 0.00 O ATOM 608 CB ILE A 42 -0.840 -10.318 -9.187 1.00 0.00 C ATOM 609 CG1 ILE A 42 -1.324 -8.930 -8.760 1.00 0.00 C ATOM 610 CG2 ILE A 42 -0.677 -11.260 -7.993 1.00 0.00 C ATOM 611 CD1 ILE A 42 -2.850 -8.892 -8.650 1.00 0.00 C ATOM 0 H ILE A 42 -0.694 -9.190 -11.405 1.00 0.00 H new ATOM 0 HA ILE A 42 1.195 -9.799 -9.310 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.610 -10.744 -9.830 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.880 -8.665 -7.800 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.989 -8.186 -9.483 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.614 -11.310 -7.438 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.412 -12.256 -8.349 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.112 -10.886 -7.340 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.168 -7.895 -8.345 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.291 -9.134 -9.617 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.180 -9.620 -7.909 1.00 0.00 H new ATOM 623 N PRO A 43 2.233 -11.894 -9.983 1.00 0.00 N ATOM 624 CA PRO A 43 2.870 -13.152 -10.339 1.00 0.00 C ATOM 625 C PRO A 43 2.242 -14.320 -9.575 1.00 0.00 C ATOM 626 O PRO A 43 2.926 -15.014 -8.825 1.00 0.00 O ATOM 627 CB PRO A 43 4.341 -12.952 -10.015 1.00 0.00 C ATOM 628 CG PRO A 43 4.402 -11.769 -9.063 1.00 0.00 C ATOM 629 CD PRO A 43 3.054 -11.068 -9.103 1.00 0.00 C ATOM 0 HA PRO A 43 2.738 -13.408 -11.390 1.00 0.00 H new ATOM 0 HB2 PRO A 43 4.764 -13.845 -9.555 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.917 -12.755 -10.919 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.628 -12.105 -8.051 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.197 -11.084 -9.356 1.00 0.00 H new ATOM 0 HD2 PRO A 43 2.616 -10.994 -8.107 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.147 -10.052 -9.487 1.00 0.00 H new ATOM 637 N GLY A 44 0.947 -14.500 -9.793 1.00 0.00 N ATOM 638 CA GLY A 44 0.220 -15.571 -9.135 1.00 0.00 C ATOM 639 C GLY A 44 -1.167 -15.753 -9.754 1.00 0.00 C ATOM 640 O GLY A 44 -1.561 -16.870 -10.087 1.00 0.00 O ATOM 0 H GLY A 44 0.383 -13.922 -10.416 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.783 -16.501 -9.216 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.122 -15.349 -8.072 1.00 0.00 H new ATOM 644 N HIS A 45 -1.870 -14.639 -9.888 1.00 0.00 N ATOM 645 CA HIS A 45 -3.206 -14.661 -10.462 1.00 0.00 C ATOM 646 C HIS A 45 -3.113 -14.901 -11.970 1.00 0.00 C ATOM 647 O HIS A 45 -2.094 -14.598 -12.589 1.00 0.00 O ATOM 648 CB HIS A 45 -3.969 -13.383 -10.110 1.00 0.00 C ATOM 649 CG HIS A 45 -5.227 -13.619 -9.309 1.00 0.00 C ATOM 650 ND1 HIS A 45 -6.445 -13.914 -9.895 1.00 0.00 N ATOM 651 CD2 HIS A 45 -5.441 -13.601 -7.962 1.00 0.00 C ATOM 652 CE1 HIS A 45 -7.346 -14.064 -8.935 1.00 0.00 C ATOM 653 NE2 HIS A 45 -6.721 -13.869 -7.738 1.00 0.00 N ATOM 0 H HIS A 45 -1.541 -13.715 -9.609 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.777 -15.485 -10.033 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.310 -12.723 -9.546 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.230 -12.862 -11.031 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.695 -13.402 -7.206 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -8.391 -14.299 -9.075 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.165 -13.921 -6.821 1.00 0.00 H new ATOM 661 N SER A 46 -4.191 -15.443 -12.518 1.00 0.00 N ATOM 662 CA SER A 46 -4.243 -15.727 -13.941 1.00 0.00 C ATOM 663 C SER A 46 -3.642 -14.562 -14.731 1.00 0.00 C ATOM 664 O SER A 46 -2.917 -14.775 -15.701 1.00 0.00 O ATOM 665 CB SER A 46 -5.680 -15.991 -14.398 1.00 0.00 C ATOM 666 OG SER A 46 -6.139 -17.280 -13.998 1.00 0.00 O ATOM 0 H SER A 46 -5.035 -15.693 -12.002 1.00 0.00 H new ATOM 0 HA SER A 46 -3.658 -16.627 -14.131 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.338 -15.227 -13.984 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.737 -15.907 -15.483 1.00 0.00 H new ATOM 0 HG SER A 46 -7.060 -17.410 -14.307 1.00 0.00 H new ATOM 672 N GLY A 47 -3.964 -13.358 -14.284 1.00 0.00 N ATOM 673 CA GLY A 47 -3.464 -12.160 -14.936 1.00 0.00 C ATOM 674 C GLY A 47 -4.262 -10.927 -14.505 1.00 0.00 C ATOM 675 O GLY A 47 -5.207 -10.527 -15.182 1.00 0.00 O ATOM 0 H GLY A 47 -4.565 -13.186 -13.478 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.411 -12.020 -14.690 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.526 -12.278 -16.018 1.00 0.00 H new ATOM 679 N GLU A 48 -3.852 -10.360 -13.380 1.00 0.00 N ATOM 680 CA GLU A 48 -4.516 -9.181 -12.850 1.00 0.00 C ATOM 681 C GLU A 48 -3.485 -8.195 -12.297 1.00 0.00 C ATOM 682 O GLU A 48 -2.489 -8.601 -11.702 1.00 0.00 O ATOM 683 CB GLU A 48 -5.539 -9.564 -11.778 1.00 0.00 C ATOM 684 CG GLU A 48 -6.547 -8.435 -11.557 1.00 0.00 C ATOM 685 CD GLU A 48 -7.513 -8.322 -12.738 1.00 0.00 C ATOM 686 OE1 GLU A 48 -8.020 -9.383 -13.160 1.00 0.00 O ATOM 687 OE2 GLU A 48 -7.723 -7.176 -13.193 1.00 0.00 O ATOM 0 H GLU A 48 -3.068 -10.695 -12.820 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.055 -8.695 -13.663 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.063 -10.471 -12.078 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.026 -9.787 -10.843 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.108 -8.618 -10.640 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.018 -7.491 -11.424 1.00 0.00 H new ATOM 694 N ILE A 49 -3.761 -6.917 -12.512 1.00 0.00 N ATOM 695 CA ILE A 49 -2.871 -5.869 -12.043 1.00 0.00 C ATOM 696 C ILE A 49 -3.284 -5.450 -10.631 1.00 0.00 C ATOM 697 O ILE A 49 -4.436 -5.625 -10.239 1.00 0.00 O ATOM 698 CB ILE A 49 -2.832 -4.711 -13.042 1.00 0.00 C ATOM 699 CG1 ILE A 49 -4.229 -4.122 -13.252 1.00 0.00 C ATOM 700 CG2 ILE A 49 -2.189 -5.146 -14.361 1.00 0.00 C ATOM 701 CD1 ILE A 49 -4.157 -2.813 -14.041 1.00 0.00 C ATOM 0 H ILE A 49 -4.589 -6.584 -13.005 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.847 -6.238 -11.980 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.208 -3.920 -12.625 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.854 -4.839 -13.785 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.702 -3.944 -12.286 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.174 -4.304 -15.053 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.169 -5.481 -14.175 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.766 -5.963 -14.795 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.162 -2.414 -14.177 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.551 -2.091 -13.493 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.706 -3.000 -15.016 1.00 0.00 H new ATOM 713 N GLY A 50 -2.320 -4.904 -9.904 1.00 0.00 N ATOM 714 CA GLY A 50 -2.569 -4.458 -8.544 1.00 0.00 C ATOM 715 C GLY A 50 -1.549 -3.400 -8.118 1.00 0.00 C ATOM 716 O GLY A 50 -1.363 -2.399 -8.807 1.00 0.00 O ATOM 0 H GLY A 50 -1.365 -4.760 -10.232 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.576 -4.047 -8.471 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.521 -5.309 -7.864 1.00 0.00 H new ATOM 720 N ALA A 51 -0.914 -3.659 -6.984 1.00 0.00 N ATOM 721 CA ALA A 51 0.083 -2.742 -6.459 1.00 0.00 C ATOM 722 C ALA A 51 1.077 -3.517 -5.593 1.00 0.00 C ATOM 723 O ALA A 51 0.708 -4.492 -4.940 1.00 0.00 O ATOM 724 CB ALA A 51 -0.613 -1.620 -5.685 1.00 0.00 C ATOM 0 H ALA A 51 -1.071 -4.491 -6.415 1.00 0.00 H new ATOM 0 HA ALA A 51 0.644 -2.279 -7.271 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.135 -0.932 -5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.286 -1.081 -6.352 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.184 -2.047 -4.860 1.00 0.00 H new ATOM 730 N TYR A 52 2.319 -3.056 -5.616 1.00 0.00 N ATOM 731 CA TYR A 52 3.369 -3.694 -4.841 1.00 0.00 C ATOM 732 C TYR A 52 4.385 -2.665 -4.342 1.00 0.00 C ATOM 733 O TYR A 52 4.641 -1.665 -5.012 1.00 0.00 O ATOM 734 CB TYR A 52 4.068 -4.663 -5.796 1.00 0.00 C ATOM 735 CG TYR A 52 5.025 -3.985 -6.779 1.00 0.00 C ATOM 736 CD1 TYR A 52 6.337 -3.755 -6.418 1.00 0.00 C ATOM 737 CD2 TYR A 52 4.575 -3.603 -8.027 1.00 0.00 C ATOM 738 CE1 TYR A 52 7.237 -3.117 -7.344 1.00 0.00 C ATOM 739 CE2 TYR A 52 5.476 -2.966 -8.952 1.00 0.00 C ATOM 740 CZ TYR A 52 6.763 -2.755 -8.565 1.00 0.00 C ATOM 741 OH TYR A 52 7.612 -2.152 -9.439 1.00 0.00 O ATOM 0 H TYR A 52 2.622 -2.248 -6.160 1.00 0.00 H new ATOM 0 HA TYR A 52 2.951 -4.196 -3.968 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.623 -5.396 -5.211 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.312 -5.211 -6.359 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.689 -4.053 -5.441 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.548 -3.782 -8.309 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.266 -2.930 -7.074 1.00 0.00 H new ATOM 0 HE2 TYR A 52 5.137 -2.662 -9.932 1.00 0.00 H new ATOM 0 HH TYR A 52 8.526 -2.469 -9.279 1.00 0.00 H new ATOM 751 N ILE A 53 4.938 -2.945 -3.171 1.00 0.00 N ATOM 752 CA ILE A 53 5.921 -2.056 -2.575 1.00 0.00 C ATOM 753 C ILE A 53 7.199 -2.079 -3.416 1.00 0.00 C ATOM 754 O ILE A 53 7.795 -3.137 -3.618 1.00 0.00 O ATOM 755 CB ILE A 53 6.146 -2.414 -1.105 1.00 0.00 C ATOM 756 CG1 ILE A 53 4.851 -2.269 -0.301 1.00 0.00 C ATOM 757 CG2 ILE A 53 7.286 -1.588 -0.508 1.00 0.00 C ATOM 758 CD1 ILE A 53 4.815 -3.263 0.862 1.00 0.00 C ATOM 0 H ILE A 53 4.724 -3.775 -2.619 1.00 0.00 H new ATOM 0 HA ILE A 53 5.556 -1.029 -2.576 1.00 0.00 H new ATOM 0 HB ILE A 53 6.444 -3.461 -1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.768 -1.252 0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.993 -2.435 -0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.425 -1.862 0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.205 -1.784 -1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.041 -0.528 -0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.885 -3.140 1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.874 -4.280 0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.661 -3.079 1.525 1.00 0.00 H new ATOM 770 N ALA A 54 7.583 -0.900 -3.883 1.00 0.00 N ATOM 771 CA ALA A 54 8.779 -0.772 -4.698 1.00 0.00 C ATOM 772 C ALA A 54 9.994 -0.594 -3.787 1.00 0.00 C ATOM 773 O ALA A 54 10.988 -1.307 -3.923 1.00 0.00 O ATOM 774 CB ALA A 54 8.609 0.392 -5.677 1.00 0.00 C ATOM 0 H ALA A 54 7.087 -0.025 -3.713 1.00 0.00 H new ATOM 0 HA ALA A 54 8.939 -1.674 -5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.507 0.488 -6.288 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.750 0.203 -6.321 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.449 1.315 -5.120 1.00 0.00 H new ATOM 780 N LYS A 55 9.877 0.360 -2.876 1.00 0.00 N ATOM 781 CA LYS A 55 10.954 0.641 -1.942 1.00 0.00 C ATOM 782 C LYS A 55 10.370 1.255 -0.667 1.00 0.00 C ATOM 783 O LYS A 55 9.389 1.994 -0.723 1.00 0.00 O ATOM 784 CB LYS A 55 12.028 1.505 -2.605 1.00 0.00 C ATOM 785 CG LYS A 55 12.838 2.272 -1.559 1.00 0.00 C ATOM 786 CD LYS A 55 13.825 1.347 -0.845 1.00 0.00 C ATOM 787 CE LYS A 55 14.288 1.956 0.480 1.00 0.00 C ATOM 788 NZ LYS A 55 14.435 0.904 1.511 1.00 0.00 N ATOM 0 H LYS A 55 9.052 0.949 -2.764 1.00 0.00 H new ATOM 0 HA LYS A 55 11.456 -0.282 -1.651 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.694 0.875 -3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.560 2.208 -3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.380 3.087 -2.039 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.164 2.723 -0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.355 0.381 -0.661 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.687 1.165 -1.486 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.239 2.470 0.338 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.569 2.703 0.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.753 1.071 2.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.255 -0.027 1.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.401 0.928 1.896 1.00 0.00 H new ATOM 802 N ILE A 56 11.000 0.926 0.451 1.00 0.00 N ATOM 803 CA ILE A 56 10.556 1.436 1.738 1.00 0.00 C ATOM 804 C ILE A 56 11.300 2.736 2.050 1.00 0.00 C ATOM 805 O ILE A 56 12.370 2.712 2.657 1.00 0.00 O ATOM 806 CB ILE A 56 10.707 0.366 2.820 1.00 0.00 C ATOM 807 CG1 ILE A 56 9.799 -0.833 2.536 1.00 0.00 C ATOM 808 CG2 ILE A 56 10.462 0.953 4.211 1.00 0.00 C ATOM 809 CD1 ILE A 56 9.497 -1.608 3.821 1.00 0.00 C ATOM 0 H ILE A 56 11.814 0.313 0.493 1.00 0.00 H new ATOM 0 HA ILE A 56 9.493 1.676 1.707 1.00 0.00 H new ATOM 0 HB ILE A 56 11.735 0.004 2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.867 -0.490 2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.278 -1.493 1.813 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.576 0.171 4.961 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.183 1.747 4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.452 1.360 4.261 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.850 -2.455 3.592 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.429 -1.970 4.255 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.997 -0.951 4.533 1.00 0.00 H new ATOM 821 N LEU A 57 10.703 3.839 1.622 1.00 0.00 N ATOM 822 CA LEU A 57 11.297 5.146 1.848 1.00 0.00 C ATOM 823 C LEU A 57 11.908 5.188 3.251 1.00 0.00 C ATOM 824 O LEU A 57 11.320 4.678 4.203 1.00 0.00 O ATOM 825 CB LEU A 57 10.270 6.251 1.592 1.00 0.00 C ATOM 826 CG LEU A 57 10.331 6.917 0.216 1.00 0.00 C ATOM 827 CD1 LEU A 57 11.391 8.019 0.185 1.00 0.00 C ATOM 828 CD2 LEU A 57 10.552 5.877 -0.886 1.00 0.00 C ATOM 0 H LEU A 57 9.815 3.855 1.120 1.00 0.00 H new ATOM 0 HA LEU A 57 12.107 5.324 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.273 5.831 1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.397 7.021 2.353 1.00 0.00 H new ATOM 0 HG LEU A 57 9.369 7.392 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.413 8.475 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.149 8.778 0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.368 7.590 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.592 6.376 -1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.491 5.353 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.731 5.161 -0.880 1.00 0.00 H new ATOM 840 N PRO A 58 13.112 5.816 3.335 1.00 0.00 N ATOM 841 CA PRO A 58 13.809 5.931 4.604 1.00 0.00 C ATOM 842 C PRO A 58 13.156 6.989 5.495 1.00 0.00 C ATOM 843 O PRO A 58 13.411 8.182 5.337 1.00 0.00 O ATOM 844 CB PRO A 58 15.244 6.269 4.235 1.00 0.00 C ATOM 845 CG PRO A 58 15.197 6.787 2.806 1.00 0.00 C ATOM 846 CD PRO A 58 13.837 6.431 2.227 1.00 0.00 C ATOM 0 HA PRO A 58 13.768 5.013 5.191 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.654 7.021 4.909 1.00 0.00 H new ATOM 0 HB3 PRO A 58 15.884 5.390 4.311 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.350 7.866 2.786 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.994 6.341 2.211 1.00 0.00 H new ATOM 0 HD2 PRO A 58 13.320 7.317 1.858 1.00 0.00 H new ATOM 0 HD3 PRO A 58 13.932 5.744 1.386 1.00 0.00 H new ATOM 854 N GLY A 59 12.325 6.514 6.411 1.00 0.00 N ATOM 855 CA GLY A 59 11.632 7.405 7.327 1.00 0.00 C ATOM 856 C GLY A 59 11.553 6.797 8.729 1.00 0.00 C ATOM 857 O GLY A 59 12.067 7.369 9.688 1.00 0.00 O ATOM 0 H GLY A 59 12.116 5.524 6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.151 8.363 7.371 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.627 7.604 6.956 1.00 0.00 H new ATOM 861 N GLY A 60 10.904 5.643 8.801 1.00 0.00 N ATOM 862 CA GLY A 60 10.750 4.951 10.069 1.00 0.00 C ATOM 863 C GLY A 60 9.274 4.697 10.381 1.00 0.00 C ATOM 864 O GLY A 60 8.939 4.184 11.448 1.00 0.00 O ATOM 0 H GLY A 60 10.480 5.171 8.003 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.287 4.003 10.037 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.197 5.544 10.867 1.00 0.00 H new ATOM 868 N SER A 61 8.430 5.069 9.429 1.00 0.00 N ATOM 869 CA SER A 61 6.996 4.887 9.588 1.00 0.00 C ATOM 870 C SER A 61 6.605 3.456 9.216 1.00 0.00 C ATOM 871 O SER A 61 5.981 2.753 10.010 1.00 0.00 O ATOM 872 CB SER A 61 6.217 5.889 8.734 1.00 0.00 C ATOM 873 OG SER A 61 6.718 7.216 8.878 1.00 0.00 O ATOM 0 H SER A 61 8.711 5.495 8.546 1.00 0.00 H new ATOM 0 HA SER A 61 6.742 5.065 10.633 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.272 5.592 7.687 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.165 5.866 9.017 1.00 0.00 H new ATOM 0 HG SER A 61 5.975 7.828 9.065 1.00 0.00 H new ATOM 879 N ALA A 62 6.988 3.066 8.010 1.00 0.00 N ATOM 880 CA ALA A 62 6.686 1.731 7.523 1.00 0.00 C ATOM 881 C ALA A 62 7.906 0.830 7.725 1.00 0.00 C ATOM 882 O ALA A 62 7.773 -0.388 7.820 1.00 0.00 O ATOM 883 CB ALA A 62 6.253 1.807 6.057 1.00 0.00 C ATOM 0 H ALA A 62 7.505 3.652 7.355 1.00 0.00 H new ATOM 0 HA ALA A 62 5.859 1.296 8.085 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.027 0.805 5.692 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.365 2.434 5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.059 2.237 5.461 1.00 0.00 H new ATOM 889 N GLU A 63 9.067 1.465 7.784 1.00 0.00 N ATOM 890 CA GLU A 63 10.309 0.736 7.973 1.00 0.00 C ATOM 891 C GLU A 63 10.385 0.176 9.395 1.00 0.00 C ATOM 892 O GLU A 63 11.130 -0.768 9.655 1.00 0.00 O ATOM 893 CB GLU A 63 11.518 1.624 7.668 1.00 0.00 C ATOM 894 CG GLU A 63 12.798 1.030 8.258 1.00 0.00 C ATOM 895 CD GLU A 63 12.934 1.382 9.741 1.00 0.00 C ATOM 896 OE1 GLU A 63 12.969 2.596 10.035 1.00 0.00 O ATOM 897 OE2 GLU A 63 13.000 0.429 10.547 1.00 0.00 O ATOM 0 H GLU A 63 9.174 2.476 7.704 1.00 0.00 H new ATOM 0 HA GLU A 63 10.327 -0.099 7.273 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.628 1.736 6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.354 2.621 8.077 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.790 -0.053 8.137 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.663 1.405 7.711 1.00 0.00 H new ATOM 904 N GLN A 64 9.604 0.782 10.278 1.00 0.00 N ATOM 905 CA GLN A 64 9.574 0.355 11.666 1.00 0.00 C ATOM 906 C GLN A 64 8.799 -0.958 11.802 1.00 0.00 C ATOM 907 O GLN A 64 9.316 -1.934 12.343 1.00 0.00 O ATOM 908 CB GLN A 64 8.973 1.441 12.560 1.00 0.00 C ATOM 909 CG GLN A 64 10.066 2.180 13.336 1.00 0.00 C ATOM 910 CD GLN A 64 9.769 2.180 14.837 1.00 0.00 C ATOM 911 OE1 GLN A 64 9.074 3.035 15.359 1.00 0.00 O ATOM 912 NE2 GLN A 64 10.332 1.173 15.500 1.00 0.00 N ATOM 0 H GLN A 64 8.988 1.565 10.059 1.00 0.00 H new ATOM 0 HA GLN A 64 10.599 0.184 11.995 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.412 2.150 11.950 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.266 0.992 13.258 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.030 1.706 13.153 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.141 3.206 12.977 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.903 0.490 15.002 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.192 1.084 16.506 1.00 0.00 H new ATOM 921 N THR A 65 7.573 -0.938 11.301 1.00 0.00 N ATOM 922 CA THR A 65 6.722 -2.115 11.358 1.00 0.00 C ATOM 923 C THR A 65 7.550 -3.382 11.137 1.00 0.00 C ATOM 924 O THR A 65 7.504 -4.307 11.947 1.00 0.00 O ATOM 925 CB THR A 65 5.598 -1.936 10.336 1.00 0.00 C ATOM 926 OG1 THR A 65 6.279 -1.814 9.091 1.00 0.00 O ATOM 927 CG2 THR A 65 4.869 -0.601 10.495 1.00 0.00 C ATOM 0 H THR A 65 7.148 -0.126 10.854 1.00 0.00 H new ATOM 0 HA THR A 65 6.269 -2.229 12.343 1.00 0.00 H new ATOM 0 HB THR A 65 4.883 -2.753 10.435 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.676 -0.921 9.022 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.081 -0.525 9.745 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.429 -0.543 11.491 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.576 0.218 10.362 1.00 0.00 H new ATOM 935 N GLY A 66 8.287 -3.385 10.036 1.00 0.00 N ATOM 936 CA GLY A 66 9.122 -4.524 9.698 1.00 0.00 C ATOM 937 C GLY A 66 8.348 -5.544 8.861 1.00 0.00 C ATOM 938 O GLY A 66 8.885 -6.106 7.907 1.00 0.00 O ATOM 0 H GLY A 66 8.323 -2.616 9.367 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.998 -4.185 9.145 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.484 -4.997 10.611 1.00 0.00 H new ATOM 942 N LYS A 67 7.097 -5.751 9.248 1.00 0.00 N ATOM 943 CA LYS A 67 6.244 -6.694 8.545 1.00 0.00 C ATOM 944 C LYS A 67 6.157 -6.296 7.071 1.00 0.00 C ATOM 945 O LYS A 67 5.798 -7.113 6.223 1.00 0.00 O ATOM 946 CB LYS A 67 4.882 -6.800 9.235 1.00 0.00 C ATOM 947 CG LYS A 67 4.781 -8.089 10.054 1.00 0.00 C ATOM 948 CD LYS A 67 5.163 -7.842 11.515 1.00 0.00 C ATOM 949 CE LYS A 67 4.599 -8.937 12.422 1.00 0.00 C ATOM 950 NZ LYS A 67 5.438 -9.094 13.629 1.00 0.00 N ATOM 0 H LYS A 67 6.655 -5.282 10.038 1.00 0.00 H new ATOM 0 HA LYS A 67 6.673 -7.695 8.580 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.732 -5.939 9.886 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.089 -6.777 8.488 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.764 -8.479 10.001 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.436 -8.848 9.626 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.248 -7.809 11.610 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.786 -6.870 11.834 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.578 -8.687 12.712 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.554 -9.880 11.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.041 -9.841 14.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.405 -9.354 13.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.459 -8.198 14.156 1.00 0.00 H new ATOM 964 N LEU A 68 6.491 -5.040 6.810 1.00 0.00 N ATOM 965 CA LEU A 68 6.456 -4.524 5.452 1.00 0.00 C ATOM 966 C LEU A 68 7.750 -4.904 4.731 1.00 0.00 C ATOM 967 O LEU A 68 8.842 -4.715 5.267 1.00 0.00 O ATOM 968 CB LEU A 68 6.174 -3.020 5.458 1.00 0.00 C ATOM 969 CG LEU A 68 4.709 -2.612 5.628 1.00 0.00 C ATOM 970 CD1 LEU A 68 3.943 -2.754 4.312 1.00 0.00 C ATOM 971 CD2 LEU A 68 4.050 -3.398 6.763 1.00 0.00 C ATOM 0 H LEU A 68 6.787 -4.365 7.515 1.00 0.00 H new ATOM 0 HA LEU A 68 5.637 -4.977 4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.753 -2.565 6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.542 -2.598 4.523 1.00 0.00 H new ATOM 0 HG LEU A 68 4.678 -1.558 5.905 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.905 -2.458 4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.398 -2.114 3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.980 -3.791 3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.009 -3.089 6.863 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.092 -4.464 6.540 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.578 -3.202 7.696 1.00 0.00 H new ATOM 983 N MET A 69 7.587 -5.434 3.528 1.00 0.00 N ATOM 984 CA MET A 69 8.729 -5.843 2.729 1.00 0.00 C ATOM 985 C MET A 69 8.515 -5.506 1.253 1.00 0.00 C ATOM 986 O MET A 69 7.386 -5.525 0.765 1.00 0.00 O ATOM 987 CB MET A 69 8.948 -7.349 2.883 1.00 0.00 C ATOM 988 CG MET A 69 9.407 -7.695 4.300 1.00 0.00 C ATOM 989 SD MET A 69 11.164 -8.006 4.315 1.00 0.00 S ATOM 990 CE MET A 69 11.293 -8.990 5.798 1.00 0.00 C ATOM 0 H MET A 69 6.681 -5.590 3.087 1.00 0.00 H new ATOM 0 HA MET A 69 9.607 -5.302 3.082 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.023 -7.879 2.657 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.693 -7.687 2.163 1.00 0.00 H new ATOM 0 HG2 MET A 69 9.169 -6.876 4.978 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.871 -8.573 4.660 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.334 -9.272 5.958 1.00 0.00 H new ATOM 0 HE2 MET A 69 10.939 -8.411 6.651 1.00 0.00 H new ATOM 0 HE3 MET A 69 10.685 -9.889 5.692 1.00 0.00 H new ATOM 1000 N GLU A 70 9.616 -5.205 0.581 1.00 0.00 N ATOM 1001 CA GLU A 70 9.563 -4.864 -0.830 1.00 0.00 C ATOM 1002 C GLU A 70 9.084 -6.064 -1.649 1.00 0.00 C ATOM 1003 O GLU A 70 9.271 -7.210 -1.244 1.00 0.00 O ATOM 1004 CB GLU A 70 10.923 -4.369 -1.327 1.00 0.00 C ATOM 1005 CG GLU A 70 11.411 -3.179 -0.499 1.00 0.00 C ATOM 1006 CD GLU A 70 12.937 -3.079 -0.529 1.00 0.00 C ATOM 1007 OE1 GLU A 70 13.575 -3.910 0.152 1.00 0.00 O ATOM 1008 OE2 GLU A 70 13.432 -2.172 -1.234 1.00 0.00 O ATOM 0 H GLU A 70 10.551 -5.190 0.988 1.00 0.00 H new ATOM 0 HA GLU A 70 8.848 -4.051 -0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.651 -5.178 -1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.848 -4.080 -2.375 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.975 -2.258 -0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.070 -3.284 0.531 1.00 0.00 H new ATOM 1015 N GLY A 71 8.473 -5.760 -2.785 1.00 0.00 N ATOM 1016 CA GLY A 71 7.965 -6.799 -3.663 1.00 0.00 C ATOM 1017 C GLY A 71 6.633 -7.347 -3.150 1.00 0.00 C ATOM 1018 O GLY A 71 6.025 -8.209 -3.785 1.00 0.00 O ATOM 0 H GLY A 71 8.319 -4.808 -3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.835 -6.399 -4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.692 -7.608 -3.734 1.00 0.00 H new ATOM 1022 N MET A 72 6.216 -6.826 -2.005 1.00 0.00 N ATOM 1023 CA MET A 72 4.966 -7.253 -1.399 1.00 0.00 C ATOM 1024 C MET A 72 3.767 -6.714 -2.180 1.00 0.00 C ATOM 1025 O MET A 72 3.656 -5.509 -2.402 1.00 0.00 O ATOM 1026 CB MET A 72 4.902 -6.753 0.045 1.00 0.00 C ATOM 1027 CG MET A 72 5.706 -7.663 0.977 1.00 0.00 C ATOM 1028 SD MET A 72 4.638 -8.902 1.691 1.00 0.00 S ATOM 1029 CE MET A 72 4.615 -8.349 3.388 1.00 0.00 C ATOM 0 H MET A 72 6.722 -6.112 -1.481 1.00 0.00 H new ATOM 0 HA MET A 72 4.928 -8.342 -1.417 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.291 -5.736 0.099 1.00 0.00 H new ATOM 0 HB3 MET A 72 3.864 -6.715 0.375 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.513 -8.142 0.423 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.169 -7.071 1.767 1.00 0.00 H new ATOM 0 HE1 MET A 72 3.693 -8.680 3.866 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.470 -8.768 3.919 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.669 -7.261 3.417 1.00 0.00 H new ATOM 1039 N GLN A 73 2.897 -7.632 -2.576 1.00 0.00 N ATOM 1040 CA GLN A 73 1.709 -7.264 -3.327 1.00 0.00 C ATOM 1041 C GLN A 73 0.696 -6.571 -2.413 1.00 0.00 C ATOM 1042 O GLN A 73 0.030 -7.224 -1.611 1.00 0.00 O ATOM 1043 CB GLN A 73 1.088 -8.487 -4.005 1.00 0.00 C ATOM 1044 CG GLN A 73 -0.158 -8.098 -4.803 1.00 0.00 C ATOM 1045 CD GLN A 73 -1.090 -9.297 -4.983 1.00 0.00 C ATOM 1046 OE1 GLN A 73 -0.735 -10.436 -4.728 1.00 0.00 O ATOM 1047 NE2 GLN A 73 -2.300 -8.979 -5.435 1.00 0.00 N ATOM 0 H GLN A 73 2.992 -8.631 -2.391 1.00 0.00 H new ATOM 0 HA GLN A 73 2.001 -6.564 -4.110 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.819 -8.950 -4.668 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.825 -9.230 -3.252 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.687 -7.295 -4.289 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.137 -7.712 -5.779 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.532 -8.005 -5.629 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.995 -9.709 -5.588 1.00 0.00 H new ATOM 1056 N VAL A 74 0.611 -5.257 -2.565 1.00 0.00 N ATOM 1057 CA VAL A 74 -0.309 -4.469 -1.763 1.00 0.00 C ATOM 1058 C VAL A 74 -1.741 -4.735 -2.229 1.00 0.00 C ATOM 1059 O VAL A 74 -2.126 -4.330 -3.325 1.00 0.00 O ATOM 1060 CB VAL A 74 0.077 -2.989 -1.828 1.00 0.00 C ATOM 1061 CG1 VAL A 74 -0.846 -2.144 -0.947 1.00 0.00 C ATOM 1062 CG2 VAL A 74 1.542 -2.787 -1.440 1.00 0.00 C ATOM 0 H VAL A 74 1.164 -4.719 -3.232 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.250 -4.761 -0.715 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.045 -2.655 -2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.551 -1.097 -1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.875 -2.253 -1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.770 -2.480 0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.790 -1.727 -1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.702 -3.145 -0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.180 -3.345 -2.125 1.00 0.00 H new ATOM 1072 N LEU A 75 -2.491 -5.414 -1.374 1.00 0.00 N ATOM 1073 CA LEU A 75 -3.872 -5.740 -1.684 1.00 0.00 C ATOM 1074 C LEU A 75 -4.744 -4.499 -1.475 1.00 0.00 C ATOM 1075 O LEU A 75 -5.420 -4.048 -2.398 1.00 0.00 O ATOM 1076 CB LEU A 75 -4.332 -6.956 -0.878 1.00 0.00 C ATOM 1077 CG LEU A 75 -3.380 -8.153 -0.872 1.00 0.00 C ATOM 1078 CD1 LEU A 75 -3.335 -8.810 0.510 1.00 0.00 C ATOM 1079 CD2 LEU A 75 -3.749 -9.153 -1.969 1.00 0.00 C ATOM 0 H LEU A 75 -2.168 -5.748 -0.466 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.968 -6.027 -2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.497 -6.643 0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.295 -7.284 -1.270 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.375 -7.791 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.651 -9.658 0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.989 -8.085 1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.333 -9.155 0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.056 -9.994 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.765 -9.514 -1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.689 -8.665 -2.942 1.00 0.00 H new ATOM 1091 N GLU A 76 -4.698 -3.983 -0.256 1.00 0.00 N ATOM 1092 CA GLU A 76 -5.475 -2.803 0.087 1.00 0.00 C ATOM 1093 C GLU A 76 -4.598 -1.785 0.821 1.00 0.00 C ATOM 1094 O GLU A 76 -3.581 -2.147 1.409 1.00 0.00 O ATOM 1095 CB GLU A 76 -6.699 -3.176 0.925 1.00 0.00 C ATOM 1096 CG GLU A 76 -7.770 -3.846 0.061 1.00 0.00 C ATOM 1097 CD GLU A 76 -8.950 -4.313 0.916 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -8.682 -4.798 2.036 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -10.093 -4.174 0.430 1.00 0.00 O ATOM 0 H GLU A 76 -4.135 -4.360 0.507 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.833 -2.347 -0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.402 -3.849 1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.111 -2.282 1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.120 -3.146 -0.698 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.338 -4.697 -0.465 1.00 0.00 H new ATOM 1106 N TRP A 77 -5.026 -0.532 0.761 1.00 0.00 N ATOM 1107 CA TRP A 77 -4.292 0.540 1.412 1.00 0.00 C ATOM 1108 C TRP A 77 -5.307 1.568 1.917 1.00 0.00 C ATOM 1109 O TRP A 77 -5.982 2.221 1.124 1.00 0.00 O ATOM 1110 CB TRP A 77 -3.249 1.143 0.469 1.00 0.00 C ATOM 1111 CG TRP A 77 -2.677 2.478 0.947 1.00 0.00 C ATOM 1112 CD1 TRP A 77 -3.146 3.710 0.710 1.00 0.00 C ATOM 1113 CD2 TRP A 77 -1.498 2.666 1.760 1.00 0.00 C ATOM 1114 NE1 TRP A 77 -2.361 4.675 1.309 1.00 0.00 N ATOM 1115 CE2 TRP A 77 -1.327 4.020 1.967 1.00 0.00 C ATOM 1116 CE3 TRP A 77 -0.607 1.724 2.302 1.00 0.00 C ATOM 1117 CZ2 TRP A 77 -0.272 4.553 2.718 1.00 0.00 C ATOM 1118 CZ3 TRP A 77 0.441 2.273 3.050 1.00 0.00 C ATOM 1119 CH2 TRP A 77 0.627 3.633 3.268 1.00 0.00 C ATOM 0 H TRP A 77 -5.871 -0.236 0.272 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.728 0.159 2.263 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.432 0.432 0.346 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -3.700 1.283 -0.513 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.028 3.922 0.124 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -2.512 5.683 1.275 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -0.722 0.660 2.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -0.159 5.617 2.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.155 1.592 3.489 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.462 3.978 3.860 1.00 0.00 H new ATOM 1130 N ASN A 78 -5.383 1.678 3.236 1.00 0.00 N ATOM 1131 CA ASN A 78 -6.304 2.615 3.856 1.00 0.00 C ATOM 1132 C ASN A 78 -7.737 2.249 3.466 1.00 0.00 C ATOM 1133 O ASN A 78 -8.588 3.125 3.320 1.00 0.00 O ATOM 1134 CB ASN A 78 -6.036 4.045 3.384 1.00 0.00 C ATOM 1135 CG ASN A 78 -4.646 4.515 3.819 1.00 0.00 C ATOM 1136 OD1 ASN A 78 -3.670 3.786 3.761 1.00 0.00 O ATOM 1137 ND2 ASN A 78 -4.611 5.771 4.254 1.00 0.00 N ATOM 0 H ASN A 78 -4.822 1.134 3.891 1.00 0.00 H new ATOM 0 HA ASN A 78 -6.165 2.560 4.936 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.117 4.095 2.298 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.794 4.714 3.791 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.729 6.179 4.565 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -5.466 6.327 4.277 1.00 0.00 H new ATOM 1144 N GLY A 79 -7.961 0.953 3.307 1.00 0.00 N ATOM 1145 CA GLY A 79 -9.275 0.460 2.936 1.00 0.00 C ATOM 1146 C GLY A 79 -9.426 0.388 1.416 1.00 0.00 C ATOM 1147 O GLY A 79 -9.882 -0.622 0.881 1.00 0.00 O ATOM 0 H GLY A 79 -7.253 0.229 3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.431 -0.529 3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.043 1.114 3.350 1.00 0.00 H new ATOM 1151 N ILE A 80 -9.033 1.471 0.762 1.00 0.00 N ATOM 1152 CA ILE A 80 -9.118 1.543 -0.686 1.00 0.00 C ATOM 1153 C ILE A 80 -8.153 0.527 -1.301 1.00 0.00 C ATOM 1154 O ILE A 80 -6.949 0.577 -1.047 1.00 0.00 O ATOM 1155 CB ILE A 80 -8.888 2.977 -1.166 1.00 0.00 C ATOM 1156 CG1 ILE A 80 -9.864 3.944 -0.490 1.00 0.00 C ATOM 1157 CG2 ILE A 80 -8.961 3.064 -2.692 1.00 0.00 C ATOM 1158 CD1 ILE A 80 -9.264 4.520 0.793 1.00 0.00 C ATOM 0 H ILE A 80 -8.655 2.306 1.209 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.120 1.276 -1.022 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.881 3.277 -0.875 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.112 4.754 -1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.795 3.425 -0.260 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.794 4.094 -3.006 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.196 2.423 -3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -9.945 2.737 -3.028 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.977 5.204 1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.040 3.709 1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.347 5.059 0.556 1.00 0.00 H new ATOM 1170 N PRO A 81 -8.730 -0.393 -2.118 1.00 0.00 N ATOM 1171 CA PRO A 81 -7.933 -1.419 -2.771 1.00 0.00 C ATOM 1172 C PRO A 81 -7.135 -0.833 -3.937 1.00 0.00 C ATOM 1173 O PRO A 81 -7.512 0.195 -4.499 1.00 0.00 O ATOM 1174 CB PRO A 81 -8.934 -2.476 -3.207 1.00 0.00 C ATOM 1175 CG PRO A 81 -10.293 -1.792 -3.200 1.00 0.00 C ATOM 1176 CD PRO A 81 -10.151 -0.482 -2.441 1.00 0.00 C ATOM 0 HA PRO A 81 -7.180 -1.851 -2.112 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.693 -2.856 -4.200 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.922 -3.329 -2.528 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.633 -1.608 -4.219 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.039 -2.429 -2.725 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.473 0.364 -3.048 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -10.763 -0.479 -1.539 1.00 0.00 H new ATOM 1184 N LEU A 82 -6.048 -1.513 -4.268 1.00 0.00 N ATOM 1185 CA LEU A 82 -5.192 -1.074 -5.358 1.00 0.00 C ATOM 1186 C LEU A 82 -5.205 -2.128 -6.468 1.00 0.00 C ATOM 1187 O LEU A 82 -4.189 -2.358 -7.122 1.00 0.00 O ATOM 1188 CB LEU A 82 -3.791 -0.743 -4.839 1.00 0.00 C ATOM 1189 CG LEU A 82 -3.727 0.176 -3.618 1.00 0.00 C ATOM 1190 CD1 LEU A 82 -2.279 0.421 -3.192 1.00 0.00 C ATOM 1191 CD2 LEU A 82 -4.477 1.485 -3.878 1.00 0.00 C ATOM 0 H LEU A 82 -5.739 -2.366 -3.801 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.572 -0.149 -5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.287 -1.677 -4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.226 -0.279 -5.648 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.227 -0.323 -2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.262 1.077 -2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.808 -0.529 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.733 0.890 -4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.416 2.121 -2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.027 2.000 -4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.522 1.268 -4.098 1.00 0.00 H new ATOM 1203 N THR A 83 -6.366 -2.740 -6.645 1.00 0.00 N ATOM 1204 CA THR A 83 -6.525 -3.763 -7.664 1.00 0.00 C ATOM 1205 C THR A 83 -7.395 -3.244 -8.811 1.00 0.00 C ATOM 1206 O THR A 83 -8.399 -2.574 -8.579 1.00 0.00 O ATOM 1207 CB THR A 83 -7.091 -5.016 -6.991 1.00 0.00 C ATOM 1208 OG1 THR A 83 -6.409 -5.078 -5.743 1.00 0.00 O ATOM 1209 CG2 THR A 83 -6.676 -6.302 -7.708 1.00 0.00 C ATOM 0 H THR A 83 -7.206 -2.547 -6.100 1.00 0.00 H new ATOM 0 HA THR A 83 -5.568 -4.023 -8.116 1.00 0.00 H new ATOM 0 HB THR A 83 -8.179 -4.952 -6.960 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.717 -5.861 -5.240 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.103 -7.161 -7.191 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.039 -6.279 -8.735 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.589 -6.383 -7.709 1.00 0.00 H new ATOM 1217 N SER A 84 -6.975 -3.573 -10.024 1.00 0.00 N ATOM 1218 CA SER A 84 -7.703 -3.148 -11.208 1.00 0.00 C ATOM 1219 C SER A 84 -7.561 -1.636 -11.394 1.00 0.00 C ATOM 1220 O SER A 84 -8.479 -0.979 -11.882 1.00 0.00 O ATOM 1221 CB SER A 84 -9.180 -3.536 -11.115 1.00 0.00 C ATOM 1222 OG SER A 84 -9.820 -3.504 -12.387 1.00 0.00 O ATOM 0 H SER A 84 -6.141 -4.128 -10.212 1.00 0.00 H new ATOM 0 HA SER A 84 -7.276 -3.656 -12.073 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.266 -4.536 -10.691 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.692 -2.856 -10.434 1.00 0.00 H new ATOM 0 HG SER A 84 -9.679 -2.628 -12.802 1.00 0.00 H new ATOM 1228 N LYS A 85 -6.404 -1.129 -10.997 1.00 0.00 N ATOM 1229 CA LYS A 85 -6.130 0.293 -11.115 1.00 0.00 C ATOM 1230 C LYS A 85 -4.851 0.497 -11.929 1.00 0.00 C ATOM 1231 O LYS A 85 -4.445 -0.385 -12.684 1.00 0.00 O ATOM 1232 CB LYS A 85 -6.090 0.947 -9.732 1.00 0.00 C ATOM 1233 CG LYS A 85 -7.302 0.535 -8.895 1.00 0.00 C ATOM 1234 CD LYS A 85 -8.446 1.538 -9.055 1.00 0.00 C ATOM 1235 CE LYS A 85 -9.372 1.514 -7.838 1.00 0.00 C ATOM 1236 NZ LYS A 85 -10.755 1.178 -8.246 1.00 0.00 N ATOM 0 H LYS A 85 -5.645 -1.677 -10.593 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.934 0.792 -11.656 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.173 0.660 -9.217 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.069 2.032 -9.839 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.638 -0.456 -9.199 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.017 0.467 -7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.039 2.541 -9.187 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.016 1.304 -9.954 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.012 0.783 -7.114 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.358 2.485 -7.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.371 1.166 -7.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.101 1.891 -8.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.766 0.241 -8.697 1.00 0.00 H new ATOM 1250 N THR A 86 -4.251 1.664 -11.747 1.00 0.00 N ATOM 1251 CA THR A 86 -3.026 1.995 -12.455 1.00 0.00 C ATOM 1252 C THR A 86 -2.090 2.803 -11.555 1.00 0.00 C ATOM 1253 O THR A 86 -2.521 3.357 -10.544 1.00 0.00 O ATOM 1254 CB THR A 86 -3.407 2.722 -13.746 1.00 0.00 C ATOM 1255 OG1 THR A 86 -3.725 4.045 -13.318 1.00 0.00 O ATOM 1256 CG2 THR A 86 -4.714 2.201 -14.347 1.00 0.00 C ATOM 0 H THR A 86 -4.591 2.393 -11.119 1.00 0.00 H new ATOM 0 HA THR A 86 -2.470 1.097 -12.723 1.00 0.00 H new ATOM 0 HB THR A 86 -2.604 2.614 -14.475 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.597 4.305 -13.681 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.939 2.750 -15.261 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.611 1.140 -14.577 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.524 2.341 -13.632 1.00 0.00 H new ATOM 1264 N TYR A 87 -0.828 2.847 -11.954 1.00 0.00 N ATOM 1265 CA TYR A 87 0.171 3.579 -11.195 1.00 0.00 C ATOM 1266 C TYR A 87 -0.405 4.886 -10.646 1.00 0.00 C ATOM 1267 O TYR A 87 -0.445 5.090 -9.434 1.00 0.00 O ATOM 1268 CB TYR A 87 1.294 3.908 -12.183 1.00 0.00 C ATOM 1269 CG TYR A 87 2.517 4.563 -11.539 1.00 0.00 C ATOM 1270 CD1 TYR A 87 2.427 5.845 -11.036 1.00 0.00 C ATOM 1271 CD2 TYR A 87 3.709 3.873 -11.461 1.00 0.00 C ATOM 1272 CE1 TYR A 87 3.579 6.463 -10.431 1.00 0.00 C ATOM 1273 CE2 TYR A 87 4.861 4.490 -10.856 1.00 0.00 C ATOM 1274 CZ TYR A 87 4.739 5.756 -10.371 1.00 0.00 C ATOM 1275 OH TYR A 87 5.825 6.338 -9.799 1.00 0.00 O ATOM 0 H TYR A 87 -0.474 2.388 -12.793 1.00 0.00 H new ATOM 0 HA TYR A 87 0.518 2.987 -10.348 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.606 2.990 -12.681 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.903 4.572 -12.954 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.493 6.385 -11.096 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.778 2.869 -11.854 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.523 7.466 -10.034 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.800 3.961 -10.789 1.00 0.00 H new ATOM 0 HH TYR A 87 6.582 5.716 -9.825 1.00 0.00 H new ATOM 1285 N GLU A 88 -0.839 5.736 -11.564 1.00 0.00 N ATOM 1286 CA GLU A 88 -1.412 7.018 -11.187 1.00 0.00 C ATOM 1287 C GLU A 88 -2.498 6.821 -10.128 1.00 0.00 C ATOM 1288 O GLU A 88 -2.307 7.176 -8.965 1.00 0.00 O ATOM 1289 CB GLU A 88 -1.965 7.752 -12.410 1.00 0.00 C ATOM 1290 CG GLU A 88 -0.946 8.754 -12.955 1.00 0.00 C ATOM 1291 CD GLU A 88 -1.644 9.982 -13.544 1.00 0.00 C ATOM 1292 OE1 GLU A 88 -2.229 9.831 -14.638 1.00 0.00 O ATOM 1293 OE2 GLU A 88 -1.578 11.043 -12.886 1.00 0.00 O ATOM 0 H GLU A 88 -0.806 5.563 -12.569 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.623 7.637 -10.760 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.222 7.031 -13.186 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.884 8.272 -12.141 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.272 9.063 -12.156 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.335 8.276 -13.721 1.00 0.00 H new ATOM 1300 N GLU A 89 -3.614 6.258 -10.567 1.00 0.00 N ATOM 1301 CA GLU A 89 -4.731 6.011 -9.671 1.00 0.00 C ATOM 1302 C GLU A 89 -4.223 5.549 -8.304 1.00 0.00 C ATOM 1303 O GLU A 89 -4.372 6.257 -7.310 1.00 0.00 O ATOM 1304 CB GLU A 89 -5.699 4.989 -10.271 1.00 0.00 C ATOM 1305 CG GLU A 89 -6.669 5.659 -11.245 1.00 0.00 C ATOM 1306 CD GLU A 89 -5.959 6.728 -12.078 1.00 0.00 C ATOM 1307 OE1 GLU A 89 -5.434 6.355 -13.150 1.00 0.00 O ATOM 1308 OE2 GLU A 89 -5.958 7.892 -11.626 1.00 0.00 O ATOM 0 H GLU A 89 -3.769 5.966 -11.532 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.277 6.945 -9.537 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.137 4.211 -10.789 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.259 4.501 -9.473 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.104 4.908 -11.905 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.492 6.111 -10.691 1.00 0.00 H new ATOM 1315 N VAL A 90 -3.632 4.362 -8.299 1.00 0.00 N ATOM 1316 CA VAL A 90 -3.100 3.797 -7.070 1.00 0.00 C ATOM 1317 C VAL A 90 -2.414 4.899 -6.262 1.00 0.00 C ATOM 1318 O VAL A 90 -2.817 5.191 -5.137 1.00 0.00 O ATOM 1319 CB VAL A 90 -2.171 2.626 -7.392 1.00 0.00 C ATOM 1320 CG1 VAL A 90 -1.478 2.111 -6.129 1.00 0.00 C ATOM 1321 CG2 VAL A 90 -2.931 1.500 -8.098 1.00 0.00 C ATOM 0 H VAL A 90 -3.510 3.777 -9.126 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.905 3.396 -6.454 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.401 2.988 -8.072 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.823 1.278 -6.387 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.888 2.913 -5.685 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.228 1.774 -5.414 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.247 0.680 -8.316 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.733 1.142 -7.453 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.355 1.875 -9.029 1.00 0.00 H new ATOM 1331 N GLN A 91 -1.389 5.481 -6.866 1.00 0.00 N ATOM 1332 CA GLN A 91 -0.643 6.545 -6.216 1.00 0.00 C ATOM 1333 C GLN A 91 -1.597 7.500 -5.496 1.00 0.00 C ATOM 1334 O GLN A 91 -1.557 7.618 -4.272 1.00 0.00 O ATOM 1335 CB GLN A 91 0.229 7.298 -7.223 1.00 0.00 C ATOM 1336 CG GLN A 91 1.662 7.445 -6.708 1.00 0.00 C ATOM 1337 CD GLN A 91 2.055 8.918 -6.591 1.00 0.00 C ATOM 1338 OE1 GLN A 91 1.538 9.663 -5.773 1.00 0.00 O ATOM 1339 NE2 GLN A 91 2.995 9.297 -7.451 1.00 0.00 N ATOM 0 H GLN A 91 -1.057 5.236 -7.799 1.00 0.00 H new ATOM 0 HA GLN A 91 0.019 6.097 -5.475 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.234 6.766 -8.174 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.196 8.284 -7.411 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.754 6.962 -5.735 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.349 6.934 -7.383 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.386 8.623 -8.109 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.326 10.262 -7.453 1.00 0.00 H new ATOM 1348 N SER A 92 -2.432 8.158 -6.286 1.00 0.00 N ATOM 1349 CA SER A 92 -3.395 9.099 -5.740 1.00 0.00 C ATOM 1350 C SER A 92 -4.016 8.530 -4.462 1.00 0.00 C ATOM 1351 O SER A 92 -4.032 9.193 -3.426 1.00 0.00 O ATOM 1352 CB SER A 92 -4.487 9.426 -6.761 1.00 0.00 C ATOM 1353 OG SER A 92 -4.972 10.758 -6.615 1.00 0.00 O ATOM 0 H SER A 92 -2.462 8.058 -7.301 1.00 0.00 H new ATOM 0 HA SER A 92 -2.871 10.024 -5.501 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.093 9.292 -7.769 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.313 8.725 -6.646 1.00 0.00 H new ATOM 0 HG SER A 92 -5.666 10.929 -7.285 1.00 0.00 H new ATOM 1359 N ILE A 93 -4.512 7.306 -4.578 1.00 0.00 N ATOM 1360 CA ILE A 93 -5.132 6.639 -3.445 1.00 0.00 C ATOM 1361 C ILE A 93 -4.170 6.665 -2.256 1.00 0.00 C ATOM 1362 O ILE A 93 -4.589 6.880 -1.120 1.00 0.00 O ATOM 1363 CB ILE A 93 -5.590 5.233 -3.836 1.00 0.00 C ATOM 1364 CG1 ILE A 93 -6.898 5.283 -4.628 1.00 0.00 C ATOM 1365 CG2 ILE A 93 -5.698 4.330 -2.606 1.00 0.00 C ATOM 1366 CD1 ILE A 93 -7.195 3.932 -5.281 1.00 0.00 C ATOM 0 H ILE A 93 -4.497 6.759 -5.439 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.034 7.168 -3.137 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.835 4.797 -4.490 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.718 5.559 -3.965 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.834 6.055 -5.395 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.025 3.336 -2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.725 4.258 -2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.421 4.751 -1.908 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.130 3.995 -5.838 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -6.384 3.671 -5.961 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.283 3.167 -4.510 1.00 0.00 H new ATOM 1378 N ILE A 94 -2.900 6.442 -2.557 1.00 0.00 N ATOM 1379 CA ILE A 94 -1.875 6.437 -1.527 1.00 0.00 C ATOM 1380 C ILE A 94 -1.517 7.878 -1.162 1.00 0.00 C ATOM 1381 O ILE A 94 -1.724 8.305 -0.028 1.00 0.00 O ATOM 1382 CB ILE A 94 -0.675 5.597 -1.969 1.00 0.00 C ATOM 1383 CG1 ILE A 94 -1.095 4.533 -2.985 1.00 0.00 C ATOM 1384 CG2 ILE A 94 0.042 4.987 -0.762 1.00 0.00 C ATOM 1385 CD1 ILE A 94 -0.253 3.264 -2.828 1.00 0.00 C ATOM 0 H ILE A 94 -2.557 6.263 -3.501 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.249 5.963 -0.620 1.00 0.00 H new ATOM 0 HB ILE A 94 0.037 6.254 -2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.150 4.293 -2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.983 4.926 -3.996 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.891 4.395 -1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.396 5.784 -0.108 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.649 4.347 -0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.571 2.523 -3.562 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.799 3.503 -2.986 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.386 2.861 -1.824 1.00 0.00 H new ATOM 1397 N SER A 95 -0.985 8.588 -2.146 1.00 0.00 N ATOM 1398 CA SER A 95 -0.595 9.974 -1.943 1.00 0.00 C ATOM 1399 C SER A 95 -1.831 10.828 -1.657 1.00 0.00 C ATOM 1400 O SER A 95 -2.476 11.322 -2.581 1.00 0.00 O ATOM 1401 CB SER A 95 0.157 10.518 -3.159 1.00 0.00 C ATOM 1402 OG SER A 95 1.558 10.616 -2.920 1.00 0.00 O ATOM 0 H SER A 95 -0.815 8.230 -3.086 1.00 0.00 H new ATOM 0 HA SER A 95 0.076 10.019 -1.085 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.020 9.868 -4.016 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.236 11.501 -3.419 1.00 0.00 H new ATOM 0 HG SER A 95 2.047 10.351 -3.727 1.00 0.00 H new ATOM 1408 N GLN A 96 -2.126 10.976 -0.374 1.00 0.00 N ATOM 1409 CA GLN A 96 -3.274 11.763 0.045 1.00 0.00 C ATOM 1410 C GLN A 96 -3.445 11.684 1.564 1.00 0.00 C ATOM 1411 O GLN A 96 -3.486 12.711 2.241 1.00 0.00 O ATOM 1412 CB GLN A 96 -4.544 11.304 -0.673 1.00 0.00 C ATOM 1413 CG GLN A 96 -5.002 12.346 -1.697 1.00 0.00 C ATOM 1414 CD GLN A 96 -5.987 11.738 -2.696 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -6.722 10.811 -2.396 1.00 0.00 O ATOM 1416 NE2 GLN A 96 -5.963 12.308 -3.896 1.00 0.00 N ATOM 0 H GLN A 96 -1.590 10.564 0.390 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.097 12.803 -0.228 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -4.360 10.353 -1.174 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.336 11.132 0.056 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.472 13.184 -1.183 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.137 12.742 -2.229 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.323 13.080 -4.081 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.584 11.973 -4.632 1.00 0.00 H new ATOM 1425 N GLN A 97 -3.538 10.457 2.055 1.00 0.00 N ATOM 1426 CA GLN A 97 -3.704 10.233 3.480 1.00 0.00 C ATOM 1427 C GLN A 97 -2.622 10.979 4.265 1.00 0.00 C ATOM 1428 O GLN A 97 -1.739 11.599 3.674 1.00 0.00 O ATOM 1429 CB GLN A 97 -3.684 8.738 3.806 1.00 0.00 C ATOM 1430 CG GLN A 97 -2.338 8.113 3.434 1.00 0.00 C ATOM 1431 CD GLN A 97 -1.286 8.397 4.508 1.00 0.00 C ATOM 1432 OE1 GLN A 97 -1.576 8.476 5.690 1.00 0.00 O ATOM 1433 NE2 GLN A 97 -0.053 8.546 4.032 1.00 0.00 N ATOM 0 H GLN A 97 -3.501 9.608 1.491 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.677 10.624 3.778 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.875 8.591 4.869 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -4.485 8.234 3.265 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.455 7.036 3.310 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -2.001 8.509 2.476 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.120 8.467 3.030 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.720 8.739 4.669 1.00 0.00 H new ATOM 1442 N SER A 98 -2.727 10.894 5.583 1.00 0.00 N ATOM 1443 CA SER A 98 -1.770 11.553 6.453 1.00 0.00 C ATOM 1444 C SER A 98 -1.609 10.759 7.752 1.00 0.00 C ATOM 1445 O SER A 98 -2.539 10.083 8.188 1.00 0.00 O ATOM 1446 CB SER A 98 -2.200 12.990 6.759 1.00 0.00 C ATOM 1447 OG SER A 98 -1.379 13.592 7.756 1.00 0.00 O ATOM 0 H SER A 98 -3.461 10.378 6.069 1.00 0.00 H new ATOM 0 HA SER A 98 -0.811 11.592 5.937 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.156 13.584 5.846 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.238 12.995 7.093 1.00 0.00 H new ATOM 0 HG SER A 98 -1.684 14.508 7.922 1.00 0.00 H new ATOM 1453 N GLY A 99 -0.422 10.868 8.332 1.00 0.00 N ATOM 1454 CA GLY A 99 -0.128 10.168 9.571 1.00 0.00 C ATOM 1455 C GLY A 99 -0.349 8.663 9.415 1.00 0.00 C ATOM 1456 O GLY A 99 -0.671 8.187 8.328 1.00 0.00 O ATOM 0 H GLY A 99 0.347 11.430 7.967 1.00 0.00 H new ATOM 0 HA2 GLY A 99 0.904 10.359 9.865 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.763 10.552 10.369 1.00 0.00 H new ATOM 1460 N GLU A 100 -0.165 7.953 10.519 1.00 0.00 N ATOM 1461 CA GLU A 100 -0.339 6.510 10.520 1.00 0.00 C ATOM 1462 C GLU A 100 -1.541 6.120 9.658 1.00 0.00 C ATOM 1463 O GLU A 100 -2.596 6.748 9.738 1.00 0.00 O ATOM 1464 CB GLU A 100 -0.490 5.976 11.945 1.00 0.00 C ATOM 1465 CG GLU A 100 -1.809 6.438 12.566 1.00 0.00 C ATOM 1466 CD GLU A 100 -1.817 7.954 12.774 1.00 0.00 C ATOM 1467 OE1 GLU A 100 -0.834 8.451 13.366 1.00 0.00 O ATOM 1468 OE2 GLU A 100 -2.805 8.582 12.336 1.00 0.00 O ATOM 0 H GLU A 100 0.103 8.351 11.419 1.00 0.00 H new ATOM 0 HA GLU A 100 0.554 6.056 10.091 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.450 4.887 11.935 1.00 0.00 H new ATOM 0 HB3 GLU A 100 0.344 6.320 12.556 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.639 6.152 11.920 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.961 5.936 13.521 1.00 0.00 H new ATOM 1475 N ALA A 101 -1.342 5.087 8.852 1.00 0.00 N ATOM 1476 CA ALA A 101 -2.396 4.606 7.977 1.00 0.00 C ATOM 1477 C ALA A 101 -2.465 3.080 8.058 1.00 0.00 C ATOM 1478 O ALA A 101 -1.692 2.459 8.785 1.00 0.00 O ATOM 1479 CB ALA A 101 -2.144 5.104 6.552 1.00 0.00 C ATOM 0 H ALA A 101 -0.465 4.570 8.787 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.364 4.996 8.292 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.935 4.743 5.895 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.135 6.194 6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.182 4.730 6.201 1.00 0.00 H new ATOM 1485 N GLU A 102 -3.398 2.521 7.302 1.00 0.00 N ATOM 1486 CA GLU A 102 -3.577 1.079 7.280 1.00 0.00 C ATOM 1487 C GLU A 102 -2.885 0.476 6.056 1.00 0.00 C ATOM 1488 O GLU A 102 -2.679 1.162 5.055 1.00 0.00 O ATOM 1489 CB GLU A 102 -5.063 0.710 7.306 1.00 0.00 C ATOM 1490 CG GLU A 102 -5.417 -0.048 8.586 1.00 0.00 C ATOM 1491 CD GLU A 102 -6.185 0.847 9.560 1.00 0.00 C ATOM 1492 OE1 GLU A 102 -5.600 1.870 9.972 1.00 0.00 O ATOM 1493 OE2 GLU A 102 -7.342 0.487 9.870 1.00 0.00 O ATOM 0 H GLU A 102 -4.038 3.040 6.700 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.116 0.662 8.176 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.667 1.614 7.236 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.304 0.097 6.438 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -6.018 -0.923 8.340 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.506 -0.411 9.062 1.00 0.00 H new ATOM 1500 N ILE A 103 -2.546 -0.798 6.175 1.00 0.00 N ATOM 1501 CA ILE A 103 -1.881 -1.501 5.090 1.00 0.00 C ATOM 1502 C ILE A 103 -2.444 -2.920 4.985 1.00 0.00 C ATOM 1503 O ILE A 103 -2.939 -3.469 5.970 1.00 0.00 O ATOM 1504 CB ILE A 103 -0.363 -1.454 5.273 1.00 0.00 C ATOM 1505 CG1 ILE A 103 0.292 -0.576 4.204 1.00 0.00 C ATOM 1506 CG2 ILE A 103 0.230 -2.864 5.298 1.00 0.00 C ATOM 1507 CD1 ILE A 103 0.443 -1.338 2.887 1.00 0.00 C ATOM 0 H ILE A 103 -2.719 -1.363 7.006 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.080 -1.008 4.138 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.150 -0.997 6.240 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.310 0.318 4.044 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.271 -0.244 4.550 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.310 -2.802 5.429 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.204 -3.427 6.124 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.007 -3.369 4.358 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.911 -0.692 2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.065 -2.219 3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -0.540 -1.648 2.531 1.00 0.00 H new ATOM 1519 N CYS A 104 -2.351 -3.472 3.785 1.00 0.00 N ATOM 1520 CA CYS A 104 -2.845 -4.816 3.540 1.00 0.00 C ATOM 1521 C CYS A 104 -2.003 -5.441 2.426 1.00 0.00 C ATOM 1522 O CYS A 104 -2.243 -5.189 1.246 1.00 0.00 O ATOM 1523 CB CYS A 104 -4.336 -4.817 3.197 1.00 0.00 C ATOM 1524 SG CYS A 104 -4.867 -6.501 2.715 1.00 0.00 S ATOM 0 H CYS A 104 -1.941 -3.013 2.972 1.00 0.00 H new ATOM 0 HA CYS A 104 -2.748 -5.413 4.447 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -4.915 -4.476 4.055 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -4.531 -4.119 2.383 1.00 0.00 H new ATOM 0 HG CYS A 104 -6.135 -6.491 2.428 1.00 0.00 H new ATOM 1530 N VAL A 105 -1.034 -6.245 2.839 1.00 0.00 N ATOM 1531 CA VAL A 105 -0.156 -6.908 1.890 1.00 0.00 C ATOM 1532 C VAL A 105 -0.254 -8.423 2.083 1.00 0.00 C ATOM 1533 O VAL A 105 -0.701 -8.891 3.129 1.00 0.00 O ATOM 1534 CB VAL A 105 1.272 -6.377 2.039 1.00 0.00 C ATOM 1535 CG1 VAL A 105 1.363 -4.917 1.591 1.00 0.00 C ATOM 1536 CG2 VAL A 105 1.770 -6.541 3.476 1.00 0.00 C ATOM 0 H VAL A 105 -0.838 -6.452 3.818 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.465 -6.690 0.868 1.00 0.00 H new ATOM 0 HB VAL A 105 1.919 -6.968 1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.388 -4.564 1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.068 -4.838 0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.698 -4.307 2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.787 -6.156 3.555 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.119 -5.987 4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.760 -7.597 3.746 1.00 0.00 H new ATOM 1546 N ARG A 106 0.173 -9.146 1.059 1.00 0.00 N ATOM 1547 CA ARG A 106 0.140 -10.598 1.103 1.00 0.00 C ATOM 1548 C ARG A 106 1.450 -11.142 1.674 1.00 0.00 C ATOM 1549 O ARG A 106 2.531 -10.723 1.264 1.00 0.00 O ATOM 1550 CB ARG A 106 -0.085 -11.186 -0.292 1.00 0.00 C ATOM 1551 CG ARG A 106 -0.240 -12.707 -0.227 1.00 0.00 C ATOM 1552 CD ARG A 106 -0.197 -13.323 -1.626 1.00 0.00 C ATOM 1553 NE ARG A 106 0.023 -14.783 -1.530 1.00 0.00 N ATOM 1554 CZ ARG A 106 -0.957 -15.683 -1.379 1.00 0.00 C ATOM 1555 NH1 ARG A 106 -2.233 -15.277 -1.305 1.00 0.00 N ATOM 1556 NH2 ARG A 106 -0.663 -16.988 -1.302 1.00 0.00 N ATOM 0 H ARG A 106 0.544 -8.754 0.194 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.689 -10.892 1.747 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.977 -10.745 -0.737 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.754 -10.930 -0.938 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.556 -13.131 0.386 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.184 -12.960 0.257 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.131 -13.121 -2.150 1.00 0.00 H new ATOM 0 HD3 ARG A 106 0.601 -12.864 -2.210 1.00 0.00 H new ATOM 0 HE ARG A 106 0.982 -15.126 -1.582 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.456 -14.283 -1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.980 -15.962 -1.190 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.308 -17.296 -1.358 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.410 -17.673 -1.187 1.00 0.00 H new ATOM 1570 N LEU A 107 1.311 -12.068 2.611 1.00 0.00 N ATOM 1571 CA LEU A 107 2.471 -12.675 3.242 1.00 0.00 C ATOM 1572 C LEU A 107 3.250 -13.481 2.201 1.00 0.00 C ATOM 1573 O LEU A 107 4.412 -13.186 1.924 1.00 0.00 O ATOM 1574 CB LEU A 107 2.049 -13.493 4.464 1.00 0.00 C ATOM 1575 CG LEU A 107 1.900 -12.716 5.773 1.00 0.00 C ATOM 1576 CD1 LEU A 107 1.252 -13.583 6.856 1.00 0.00 C ATOM 1577 CD2 LEU A 107 3.244 -12.143 6.227 1.00 0.00 C ATOM 0 H LEU A 107 0.413 -12.413 2.949 1.00 0.00 H new ATOM 0 HA LEU A 107 3.145 -11.906 3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.098 -13.977 4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.782 -14.285 4.617 1.00 0.00 H new ATOM 0 HG LEU A 107 1.234 -11.872 5.594 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.158 -13.006 7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.264 -13.901 6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.873 -14.460 7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.110 -11.595 7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.952 -12.957 6.383 1.00 0.00 H new ATOM 0 HD23 LEU A 107 3.629 -11.468 5.462 1.00 0.00 H new ATOM 1589 N ASP A 108 2.579 -14.483 1.652 1.00 0.00 N ATOM 1590 CA ASP A 108 3.194 -15.334 0.648 1.00 0.00 C ATOM 1591 C ASP A 108 3.136 -14.634 -0.712 1.00 0.00 C ATOM 1592 O ASP A 108 2.346 -13.711 -0.906 1.00 0.00 O ATOM 1593 CB ASP A 108 2.451 -16.666 0.525 1.00 0.00 C ATOM 1594 CG ASP A 108 3.250 -17.794 -0.131 1.00 0.00 C ATOM 1595 OD1 ASP A 108 4.177 -18.298 0.541 1.00 0.00 O ATOM 1596 OD2 ASP A 108 2.917 -18.128 -1.288 1.00 0.00 O ATOM 0 H ASP A 108 1.615 -14.724 1.884 1.00 0.00 H new ATOM 0 HA ASP A 108 4.224 -15.522 0.950 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.147 -16.988 1.521 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.539 -16.505 -0.050 1.00 0.00 H new ATOM 1601 N LEU A 109 3.984 -15.099 -1.618 1.00 0.00 N ATOM 1602 CA LEU A 109 4.040 -14.529 -2.953 1.00 0.00 C ATOM 1603 C LEU A 109 4.650 -13.128 -2.880 1.00 0.00 C ATOM 1604 O LEU A 109 4.192 -12.288 -2.108 1.00 0.00 O ATOM 1605 CB LEU A 109 2.658 -14.565 -3.609 1.00 0.00 C ATOM 1606 CG LEU A 109 2.642 -14.673 -5.135 1.00 0.00 C ATOM 1607 CD1 LEU A 109 1.208 -14.715 -5.667 1.00 0.00 C ATOM 1608 CD2 LEU A 109 3.458 -13.547 -5.772 1.00 0.00 C ATOM 0 H LEU A 109 4.638 -15.864 -1.453 1.00 0.00 H new ATOM 0 HA LEU A 109 4.688 -15.126 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.105 -15.410 -3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.118 -13.662 -3.323 1.00 0.00 H new ATOM 0 HG LEU A 109 3.116 -15.613 -5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 109 1.225 -14.792 -6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 109 0.691 -15.579 -5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.685 -13.804 -5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.431 -13.647 -6.857 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.035 -12.584 -5.485 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.491 -13.607 -5.428 1.00 0.00 H new ATOM 1620 N ASN A 110 5.674 -12.920 -3.694 1.00 0.00 N ATOM 1621 CA ASN A 110 6.352 -11.635 -3.731 1.00 0.00 C ATOM 1622 C ASN A 110 6.674 -11.275 -5.183 1.00 0.00 C ATOM 1623 O ASN A 110 7.011 -12.148 -5.982 1.00 0.00 O ATOM 1624 CB ASN A 110 7.668 -11.684 -2.952 1.00 0.00 C ATOM 1625 CG ASN A 110 8.519 -12.879 -3.387 1.00 0.00 C ATOM 1626 OD1 ASN A 110 8.914 -13.007 -4.534 1.00 0.00 O ATOM 1627 ND2 ASN A 110 8.776 -13.743 -2.410 1.00 0.00 N ATOM 0 H ASN A 110 6.051 -13.620 -4.333 1.00 0.00 H new ATOM 0 HA ASN A 110 5.694 -10.893 -3.279 1.00 0.00 H new ATOM 0 HB2 ASN A 110 8.224 -10.760 -3.112 1.00 0.00 H new ATOM 0 HB3 ASN A 110 7.460 -11.751 -1.884 1.00 0.00 H new ATOM 0 HD21 ASN A 110 9.335 -14.575 -2.599 1.00 0.00 H new ATOM 0 HD22 ASN A 110 8.414 -13.574 -1.472 1.00 0.00 H new ATOM 1634 N MET A 111 6.560 -9.989 -5.479 1.00 0.00 N ATOM 1635 CA MET A 111 6.835 -9.504 -6.822 1.00 0.00 C ATOM 1636 C MET A 111 8.307 -9.113 -6.972 1.00 0.00 C ATOM 1637 O MET A 111 8.770 -8.168 -6.335 1.00 0.00 O ATOM 1638 CB MET A 111 5.951 -8.290 -7.116 1.00 0.00 C ATOM 1639 CG MET A 111 4.516 -8.719 -7.430 1.00 0.00 C ATOM 1640 SD MET A 111 3.370 -7.808 -6.410 1.00 0.00 S ATOM 1641 CE MET A 111 2.320 -7.110 -7.674 1.00 0.00 C ATOM 0 H MET A 111 6.281 -9.268 -4.813 1.00 0.00 H new ATOM 0 HA MET A 111 6.617 -10.304 -7.530 1.00 0.00 H new ATOM 0 HB2 MET A 111 5.954 -7.618 -6.258 1.00 0.00 H new ATOM 0 HB3 MET A 111 6.360 -7.733 -7.959 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.297 -8.543 -8.483 1.00 0.00 H new ATOM 0 HG3 MET A 111 4.401 -9.789 -7.255 1.00 0.00 H new ATOM 0 HE1 MET A 111 1.609 -6.422 -7.217 1.00 0.00 H new ATOM 0 HE2 MET A 111 2.931 -6.572 -8.399 1.00 0.00 H new ATOM 0 HE3 MET A 111 1.778 -7.909 -8.179 1.00 0.00 H new