USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 22 THR OG1 : rot 180:sc= 0.00985 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.949 K(o=0.96,f=-0.5) USER MOD Set 2.1: A 7 THR OG1 : rot 122:sc= -0.419 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0787 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 135:sc= 1.24 (180deg=-0.0199) USER MOD Set 3.2: A 12 THR OG1 : rot 146:sc= 1.02 USER MOD Single : A 1 MET CE :methyl -167:sc= 0 (180deg=-0.119) USER MOD Single : A 1 MET N :NH3+ -162:sc= 2.36 (180deg=2.19) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= 1.17 (180deg=0.869) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -143:sc= 1.56 (180deg=-0.471) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.33) USER MOD Single : A 41 GLN : amide:sc= 1.18 K(o=1.2,f=-1.8) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.005) USER MOD Single : A 55 THR OG1 : rot -71:sc= 1.17 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 120:sc= 0.444 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.097 K(o=-0.097,f=-1.9!) USER MOD Single : A 63 LYS NZ :NH3+ -175:sc= 1.28 (180deg=1.18) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00317 USER MOD Single : A 68 HIS : no HD1:sc= -0.0255 X(o=-0.026,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.815 -7.203 -5.321 1.00 9.67 N ATOM 2 CA MET A 1 10.811 -7.152 -3.856 1.00 10.38 C ATOM 3 C MET A 1 9.517 -7.679 -3.223 1.00 9.62 C ATOM 4 O MET A 1 8.391 -7.193 -3.488 1.00 9.62 O ATOM 5 CB MET A 1 10.992 -5.649 -3.535 1.00 13.77 C ATOM 6 CG MET A 1 11.169 -5.389 -2.046 1.00 16.29 C ATOM 7 SD MET A 1 11.937 -3.787 -1.546 1.00 17.17 S ATOM 8 CE MET A 1 10.395 -2.942 -1.630 1.00 16.11 C ATOM 0 H1 MET A 1 11.793 -7.130 -5.668 1.00 9.67 H new ATOM 0 H2 MET A 1 10.402 -8.103 -5.638 1.00 9.67 H new ATOM 0 H3 MET A 1 10.254 -6.413 -5.697 1.00 9.67 H new ATOM 0 HA MET A 1 11.593 -7.792 -3.447 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.860 -5.268 -4.073 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.125 -5.096 -3.897 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.188 -5.454 -1.574 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.775 -6.196 -1.633 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.567 -1.866 -1.596 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.889 -3.199 -2.561 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.772 -3.236 -0.785 1.00 16.11 H new ATOM 20 N GLN A 2 9.630 -8.738 -2.366 1.00 9.27 N ATOM 21 CA GLN A 2 8.580 -9.101 -1.519 1.00 9.07 C ATOM 22 C GLN A 2 8.280 -8.169 -0.420 1.00 8.72 C ATOM 23 O GLN A 2 9.131 -7.909 0.388 1.00 8.22 O ATOM 24 CB GLN A 2 8.755 -10.584 -1.022 1.00 14.46 C ATOM 25 CG GLN A 2 7.464 -11.119 -0.319 1.00 17.01 C ATOM 26 CD GLN A 2 7.648 -12.605 -0.112 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.094 -13.084 0.911 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.412 -13.376 -1.189 1.00 19.49 N ATOM 0 H GLN A 2 10.462 -9.322 -2.285 1.00 9.27 H new ATOM 0 HA GLN A 2 7.685 -9.034 -2.138 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.999 -11.225 -1.869 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.595 -10.638 -0.329 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.309 -10.615 0.635 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.584 -10.922 -0.931 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.037 -12.960 -2.042 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.608 -14.376 -1.153 1.00 19.49 H new ATOM 37 N ILE A 3 7.018 -7.743 -0.255 1.00 5.87 N ATOM 38 CA ILE A 3 6.530 -7.002 0.891 1.00 5.07 C ATOM 39 C ILE A 3 5.269 -7.601 1.425 1.00 4.01 C ATOM 40 O ILE A 3 4.640 -8.376 0.654 1.00 4.61 O ATOM 41 CB ILE A 3 6.242 -5.504 0.682 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.098 -5.276 -0.355 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.638 -4.844 0.260 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.793 -3.796 -0.611 1.00 10.83 C ATOM 0 H ILE A 3 6.292 -7.918 -0.949 1.00 5.87 H new ATOM 0 HA ILE A 3 7.371 -7.076 1.581 1.00 5.07 H new ATOM 0 HB ILE A 3 5.868 -5.029 1.589 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.372 -5.751 -1.297 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.193 -5.770 -0.001 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.500 -3.775 0.096 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.368 -4.998 1.054 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.997 -5.309 -0.658 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.988 -3.711 -1.341 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.488 -3.321 0.321 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.685 -3.302 -0.995 1.00 10.83 H new ATOM 56 N PHE A 4 4.815 -7.231 2.683 1.00 4.55 N ATOM 57 CA PHE A 4 3.498 -7.642 3.188 1.00 4.68 C ATOM 58 C PHE A 4 2.548 -6.439 3.286 1.00 5.30 C ATOM 59 O PHE A 4 3.016 -5.322 3.534 1.00 5.58 O ATOM 60 CB PHE A 4 3.529 -8.284 4.626 1.00 4.83 C ATOM 61 CG PHE A 4 4.606 -9.277 4.669 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.594 -10.310 3.747 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.572 -9.190 5.701 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.747 -11.115 3.666 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.648 -10.107 5.639 1.00 10.61 C ATOM 66 CZ PHE A 4 6.742 -11.061 4.608 1.00 8.90 C ATOM 0 H PHE A 4 5.353 -6.659 3.334 1.00 4.55 H new ATOM 0 HA PHE A 4 3.160 -8.387 2.468 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.693 -7.515 5.381 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.572 -8.754 4.852 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.736 -10.491 3.116 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.492 -8.462 6.494 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.851 -11.797 2.835 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.414 -10.074 6.400 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.582 -11.738 4.560 1.00 8.90 H new ATOM 76 N VAL A 5 1.230 -6.650 3.056 1.00 4.44 N ATOM 77 CA VAL A 5 0.196 -5.676 3.272 1.00 3.87 C ATOM 78 C VAL A 5 -0.912 -6.324 4.103 1.00 4.93 C ATOM 79 O VAL A 5 -1.562 -7.304 3.767 1.00 6.84 O ATOM 80 CB VAL A 5 -0.482 -5.236 1.914 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.203 -3.885 2.190 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.498 -5.029 0.814 1.00 9.13 C ATOM 0 H VAL A 5 0.872 -7.538 2.704 1.00 4.44 H new ATOM 0 HA VAL A 5 0.650 -4.814 3.760 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.159 -6.027 1.592 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.689 -3.539 1.278 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -1.952 -4.025 2.969 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.474 -3.144 2.517 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.029 -4.728 -0.091 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.205 -4.249 1.098 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.038 -5.958 0.628 1.00 9.13 H new ATOM 92 N LYS A 6 -1.144 -5.819 5.367 1.00 6.04 N ATOM 93 CA LYS A 6 -2.158 -6.129 6.295 1.00 6.12 C ATOM 94 C LYS A 6 -3.468 -5.330 6.143 1.00 6.57 C ATOM 95 O LYS A 6 -3.409 -4.135 6.222 1.00 5.76 O ATOM 96 CB LYS A 6 -1.648 -5.863 7.766 1.00 7.45 C ATOM 97 CG LYS A 6 -0.388 -6.676 8.213 1.00 11.12 C ATOM 98 CD LYS A 6 -0.652 -8.196 8.308 1.00 14.54 C ATOM 99 CE LYS A 6 0.410 -8.936 9.109 1.00 18.84 C ATOM 100 NZ LYS A 6 0.076 -10.390 9.146 1.00 20.55 N ATOM 0 H LYS A 6 -0.520 -5.107 5.747 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.381 -7.177 6.094 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.424 -4.801 7.865 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.462 -6.083 8.457 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.422 -6.497 7.506 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.052 -6.310 9.183 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.627 -8.362 8.767 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.698 -8.615 7.303 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.391 -8.788 8.658 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.462 -8.537 10.122 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.933 -10.948 8.956 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.297 -10.637 10.085 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.641 -10.600 8.423 1.00 20.55 H new ATOM 114 N THR A 7 -4.606 -6.018 5.919 1.00 7.41 N ATOM 115 CA THR A 7 -5.914 -5.385 5.623 1.00 7.48 C ATOM 116 C THR A 7 -6.692 -5.000 6.886 1.00 8.75 C ATOM 117 O THR A 7 -6.417 -5.401 8.040 1.00 8.58 O ATOM 118 CB THR A 7 -6.846 -6.002 4.617 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.487 -7.175 5.131 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.956 -6.605 3.508 1.00 9.17 C ATOM 0 H THR A 7 -4.647 -7.037 5.938 1.00 7.41 H new ATOM 0 HA THR A 7 -5.546 -4.507 5.092 1.00 7.48 H new ATOM 0 HB THR A 7 -7.563 -5.236 4.320 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.459 -7.055 5.103 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.585 -7.068 2.748 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.358 -5.816 3.052 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.296 -7.357 3.940 1.00 9.17 H new ATOM 128 N LEU A 8 -7.703 -4.157 6.710 1.00 9.84 N ATOM 129 CA LEU A 8 -8.669 -3.565 7.631 1.00 14.15 C ATOM 130 C LEU A 8 -9.508 -4.719 8.196 1.00 17.37 C ATOM 131 O LEU A 8 -9.940 -4.714 9.331 1.00 17.01 O ATOM 132 CB LEU A 8 -9.502 -2.435 7.057 1.00 16.63 C ATOM 133 CG LEU A 8 -10.449 -1.778 8.034 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.722 -0.817 9.042 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.471 -0.957 7.175 1.00 18.59 C ATOM 0 H LEU A 8 -7.892 -3.821 5.766 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.129 -3.053 8.427 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.830 -1.675 6.659 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.080 -2.821 6.217 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.929 -2.546 8.640 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.455 -0.376 9.717 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.990 -1.382 9.620 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.216 -0.026 8.489 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.183 -0.459 7.834 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.936 -0.210 6.588 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.006 -1.630 6.505 1.00 18.59 H new ATOM 147 N THR A 9 -9.698 -5.835 7.470 1.00 18.33 N ATOM 148 CA THR A 9 -10.460 -6.970 7.931 1.00 19.24 C ATOM 149 C THR A 9 -9.634 -7.975 8.647 1.00 19.48 C ATOM 150 O THR A 9 -10.215 -9.042 9.079 1.00 23.14 O ATOM 151 CB THR A 9 -11.203 -7.648 6.802 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.340 -8.080 5.775 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.159 -6.688 6.122 1.00 19.70 C ATOM 0 H THR A 9 -9.313 -5.959 6.534 1.00 18.33 H new ATOM 0 HA THR A 9 -11.179 -6.559 8.639 1.00 19.24 H new ATOM 0 HB THR A 9 -11.716 -8.489 7.269 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.863 -8.513 5.069 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.679 -7.203 5.315 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.886 -6.324 6.848 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.600 -5.846 5.714 1.00 19.70 H new ATOM 161 N GLY A 10 -8.332 -7.742 8.791 1.00 19.43 N ATOM 162 CA GLY A 10 -7.442 -8.699 9.353 1.00 18.74 C ATOM 163 C GLY A 10 -6.879 -9.791 8.450 1.00 17.62 C ATOM 164 O GLY A 10 -6.374 -10.784 8.947 1.00 19.74 O ATOM 0 H GLY A 10 -7.882 -6.870 8.512 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.599 -8.156 9.781 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.959 -9.187 10.179 1.00 18.74 H new ATOM 168 N LYS A 11 -6.934 -9.577 7.115 1.00 13.56 N ATOM 169 CA LYS A 11 -6.351 -10.446 6.091 1.00 11.91 C ATOM 170 C LYS A 11 -4.838 -10.045 5.981 1.00 10.18 C ATOM 171 O LYS A 11 -4.428 -8.985 6.395 1.00 9.10 O ATOM 172 CB LYS A 11 -7.135 -10.390 4.770 1.00 13.43 C ATOM 173 CG LYS A 11 -6.480 -11.313 3.601 1.00 16.69 C ATOM 174 CD LYS A 11 -7.325 -11.258 2.277 1.00 17.92 C ATOM 175 CE LYS A 11 -6.858 -12.291 1.237 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.732 -12.338 0.049 1.00 21.93 N ATOM 0 H LYS A 11 -7.404 -8.764 6.717 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.418 -11.499 6.365 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.160 -10.714 4.949 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.182 -9.357 4.426 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.463 -10.977 3.398 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.412 -12.344 3.947 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.375 -11.433 2.512 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.257 -10.258 1.848 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.841 -12.053 0.926 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.827 -13.278 1.699 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.236 -12.819 -0.728 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.602 -12.859 0.279 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.975 -11.369 -0.242 1.00 21.93 H new ATOM 190 N THR A 12 -3.961 -10.873 5.375 1.00 9.63 N ATOM 191 CA THR A 12 -2.558 -10.561 5.043 1.00 9.85 C ATOM 192 C THR A 12 -2.424 -10.837 3.578 1.00 11.66 C ATOM 193 O THR A 12 -2.874 -11.960 3.173 1.00 12.33 O ATOM 194 CB THR A 12 -1.598 -11.415 5.874 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.804 -11.185 7.242 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.109 -11.097 5.544 1.00 9.63 C ATOM 0 H THR A 12 -4.224 -11.817 5.092 1.00 9.63 H new ATOM 0 HA THR A 12 -2.304 -9.526 5.272 1.00 9.85 H new ATOM 0 HB THR A 12 -1.802 -12.457 5.626 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.649 -12.015 7.740 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.541 -11.724 6.155 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.081 -11.297 4.489 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.095 -10.048 5.757 1.00 9.63 H new ATOM 204 N ILE A 13 -1.995 -9.890 2.715 1.00 10.42 N ATOM 205 CA ILE A 13 -1.732 -9.916 1.247 1.00 11.84 C ATOM 206 C ILE A 13 -0.207 -9.981 1.094 1.00 10.55 C ATOM 207 O ILE A 13 0.512 -9.186 1.726 1.00 11.92 O ATOM 208 CB ILE A 13 -2.215 -8.654 0.535 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.623 -8.143 1.008 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.292 -8.875 -0.989 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.846 -6.718 0.613 1.00 16.46 C ATOM 0 H ILE A 13 -1.796 -8.957 3.077 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.261 -10.761 0.806 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.475 -7.897 0.795 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.403 -8.769 0.575 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.702 -8.239 2.091 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.639 -7.961 -1.472 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.304 -9.134 -1.369 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.988 -9.686 -1.204 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.829 -6.395 0.955 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.079 -6.090 1.067 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.792 -6.628 -0.472 1.00 16.46 H new ATOM 223 N THR A 14 0.368 -10.920 0.322 1.00 9.39 N ATOM 224 CA THR A 14 1.839 -10.972 0.094 1.00 9.63 C ATOM 225 C THR A 14 2.046 -10.559 -1.321 1.00 11.20 C ATOM 226 O THR A 14 1.443 -11.124 -2.254 1.00 11.63 O ATOM 227 CB THR A 14 2.406 -12.400 0.274 1.00 10.38 C ATOM 228 OG1 THR A 14 2.133 -12.899 1.574 1.00 16.30 O ATOM 229 CG2 THR A 14 3.920 -12.401 0.182 1.00 11.66 C ATOM 0 H THR A 14 -0.154 -11.654 -0.157 1.00 9.39 H new ATOM 0 HA THR A 14 2.347 -10.328 0.812 1.00 9.63 H new ATOM 0 HB THR A 14 1.942 -13.003 -0.507 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.500 -13.803 1.661 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.292 -13.417 0.312 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.225 -12.025 -0.794 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.332 -11.761 0.962 1.00 11.66 H new ATOM 237 N LEU A 15 2.906 -9.566 -1.559 1.00 8.29 N ATOM 238 CA LEU A 15 3.065 -9.011 -2.891 1.00 9.03 C ATOM 239 C LEU A 15 4.531 -9.009 -3.280 1.00 8.59 C ATOM 240 O LEU A 15 5.445 -8.776 -2.493 1.00 7.79 O ATOM 241 CB LEU A 15 2.511 -7.565 -3.040 1.00 11.08 C ATOM 242 CG LEU A 15 1.030 -7.360 -2.930 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.671 -5.867 -2.893 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.396 -8.082 -4.113 1.00 15.27 C ATOM 0 H LEU A 15 3.497 -9.137 -0.847 1.00 8.29 H new ATOM 0 HA LEU A 15 2.480 -9.652 -3.551 1.00 9.03 H new ATOM 0 HB2 LEU A 15 2.990 -6.945 -2.282 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.829 -7.185 -4.011 1.00 11.08 H new ATOM 0 HG LEU A 15 0.647 -7.769 -1.995 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.410 -5.755 -2.813 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.149 -5.399 -2.032 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.019 -5.386 -3.807 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.687 -7.961 -4.076 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.777 -7.660 -5.043 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.644 -9.142 -4.067 1.00 15.27 H new ATOM 256 N GLU A 16 4.728 -9.072 -4.550 1.00 11.04 N ATOM 257 CA GLU A 16 5.943 -8.721 -5.284 1.00 11.50 C ATOM 258 C GLU A 16 5.773 -7.326 -5.851 1.00 10.13 C ATOM 259 O GLU A 16 4.838 -7.055 -6.594 1.00 9.83 O ATOM 260 CB GLU A 16 6.078 -9.709 -6.524 1.00 17.22 C ATOM 261 CG GLU A 16 7.449 -9.723 -7.247 1.00 23.33 C ATOM 262 CD GLU A 16 8.576 -10.144 -6.352 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.537 -11.269 -5.695 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.562 -9.378 -6.382 1.00 28.90 O ATOM 0 H GLU A 16 3.992 -9.396 -5.178 1.00 11.04 H new ATOM 0 HA GLU A 16 6.810 -8.781 -4.626 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.863 -10.721 -6.180 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.310 -9.450 -7.253 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.397 -10.399 -8.100 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.657 -8.728 -7.641 1.00 23.33 H new ATOM 271 N VAL A 17 6.729 -6.401 -5.608 1.00 8.99 N ATOM 272 CA VAL A 17 6.706 -4.976 -6.002 1.00 8.85 C ATOM 273 C VAL A 17 8.049 -4.513 -6.424 1.00 8.04 C ATOM 274 O VAL A 17 9.054 -5.105 -6.003 1.00 8.99 O ATOM 275 CB VAL A 17 6.218 -4.024 -4.938 1.00 9.78 C ATOM 276 CG1 VAL A 17 4.688 -4.191 -4.813 1.00 12.05 C ATOM 277 CG2 VAL A 17 6.954 -4.251 -3.621 1.00 10.54 C ATOM 0 H VAL A 17 7.583 -6.643 -5.105 1.00 8.99 H new ATOM 0 HA VAL A 17 5.990 -4.952 -6.824 1.00 8.85 H new ATOM 0 HB VAL A 17 6.433 -2.992 -5.216 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.309 -3.512 -4.049 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.217 -3.960 -5.769 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.456 -5.219 -4.533 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.583 -3.552 -2.872 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.784 -5.272 -3.280 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.022 -4.091 -3.769 1.00 10.54 H new ATOM 287 N GLU A 18 8.119 -3.450 -7.247 1.00 7.29 N ATOM 288 CA GLU A 18 9.432 -2.844 -7.486 1.00 7.08 C ATOM 289 C GLU A 18 9.600 -1.780 -6.430 1.00 6.45 C ATOM 290 O GLU A 18 8.617 -1.205 -5.978 1.00 5.28 O ATOM 291 CB GLU A 18 9.540 -2.317 -8.963 1.00 10.28 C ATOM 292 CG GLU A 18 9.286 -3.462 -9.986 1.00 12.65 C ATOM 293 CD GLU A 18 10.209 -4.650 -9.889 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.463 -4.516 -9.714 1.00 14.33 O ATOM 295 OE2 GLU A 18 9.673 -5.794 -10.186 1.00 18.17 O ATOM 0 H GLU A 18 7.331 -3.017 -7.730 1.00 7.29 H new ATOM 0 HA GLU A 18 10.249 -3.560 -7.399 1.00 7.08 H new ATOM 0 HB2 GLU A 18 8.817 -1.517 -9.121 1.00 10.28 H new ATOM 0 HB3 GLU A 18 10.529 -1.890 -9.129 1.00 10.28 H new ATOM 0 HG2 GLU A 18 8.261 -3.812 -9.863 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.363 -3.048 -10.991 1.00 12.65 H new ATOM 302 N PRO A 19 10.781 -1.462 -5.927 1.00 7.24 N ATOM 303 CA PRO A 19 10.989 -0.512 -4.805 1.00 7.07 C ATOM 304 C PRO A 19 10.871 0.921 -5.278 1.00 6.65 C ATOM 305 O PRO A 19 10.664 1.888 -4.497 1.00 6.37 O ATOM 306 CB PRO A 19 12.400 -0.793 -4.283 1.00 7.61 C ATOM 307 CG PRO A 19 13.141 -1.358 -5.537 1.00 8.16 C ATOM 308 CD PRO A 19 12.033 -2.038 -6.349 1.00 7.49 C ATOM 0 HA PRO A 19 10.236 -0.644 -4.028 1.00 7.07 H new ATOM 0 HB2 PRO A 19 12.878 0.112 -3.907 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.390 -1.512 -3.464 1.00 7.61 H new ATOM 0 HG2 PRO A 19 13.623 -0.564 -6.107 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.920 -2.066 -5.255 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.188 -1.882 -7.417 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.038 -3.115 -6.180 1.00 7.49 H new ATOM 316 N SER A 20 11.027 1.183 -6.622 1.00 6.80 N ATOM 317 CA SER A 20 11.029 2.541 -7.191 1.00 6.28 C ATOM 318 C SER A 20 9.620 2.825 -7.675 1.00 8.45 C ATOM 319 O SER A 20 9.368 3.901 -8.255 1.00 7.26 O ATOM 320 CB SER A 20 12.080 2.727 -8.298 1.00 8.57 C ATOM 321 OG SER A 20 11.984 1.684 -9.267 1.00 11.13 O ATOM 0 H SER A 20 11.153 0.449 -7.320 1.00 6.80 H new ATOM 0 HA SER A 20 11.319 3.261 -6.426 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.938 3.693 -8.782 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.078 2.733 -7.861 1.00 8.57 H new ATOM 0 HG SER A 20 12.660 1.821 -9.963 1.00 11.13 H new ATOM 327 N ASP A 21 8.648 1.888 -7.455 1.00 7.50 N ATOM 328 CA ASP A 21 7.274 2.098 -7.806 1.00 7.70 C ATOM 329 C ASP A 21 6.476 2.849 -6.701 1.00 7.08 C ATOM 330 O ASP A 21 6.834 3.048 -5.530 1.00 8.11 O ATOM 331 CB ASP A 21 6.642 0.725 -8.242 1.00 11.00 C ATOM 332 CG ASP A 21 5.763 0.829 -9.472 1.00 15.32 C ATOM 333 OD1 ASP A 21 5.464 1.964 -9.872 1.00 14.36 O ATOM 334 OD2 ASP A 21 5.452 -0.280 -10.041 1.00 18.03 O ATOM 0 H ASP A 21 8.831 0.980 -7.028 1.00 7.50 H new ATOM 0 HA ASP A 21 7.219 2.774 -8.659 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.442 0.011 -8.436 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.053 0.327 -7.416 1.00 11.00 H new ATOM 339 N THR A 22 5.385 3.490 -7.219 1.00 5.37 N ATOM 340 CA THR A 22 4.580 4.416 -6.470 1.00 6.01 C ATOM 341 C THR A 22 3.581 3.757 -5.546 1.00 8.01 C ATOM 342 O THR A 22 3.221 2.620 -5.846 1.00 8.11 O ATOM 343 CB THR A 22 3.875 5.539 -7.150 1.00 8.92 C ATOM 344 OG1 THR A 22 2.989 5.125 -8.186 1.00 10.22 O ATOM 345 CG2 THR A 22 4.956 6.331 -7.892 1.00 9.65 C ATOM 0 H THR A 22 5.065 3.355 -8.178 1.00 5.37 H new ATOM 0 HA THR A 22 5.409 4.887 -5.941 1.00 6.01 H new ATOM 0 HB THR A 22 3.311 6.073 -6.385 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.562 5.912 -8.585 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.498 7.172 -8.413 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.690 6.703 -7.177 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.451 5.682 -8.615 1.00 9.65 H new ATOM 353 N ILE A 23 3.123 4.485 -4.504 1.00 8.32 N ATOM 354 CA ILE A 23 2.072 4.101 -3.551 1.00 9.92 C ATOM 355 C ILE A 23 0.750 3.909 -4.258 1.00 10.01 C ATOM 356 O ILE A 23 -0.043 3.009 -3.966 1.00 8.71 O ATOM 357 CB ILE A 23 2.095 5.114 -2.374 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.502 5.063 -1.681 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.875 4.966 -1.428 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.772 3.753 -0.937 1.00 12.30 C ATOM 0 H ILE A 23 3.503 5.409 -4.298 1.00 8.32 H new ATOM 0 HA ILE A 23 2.252 3.123 -3.105 1.00 9.92 H new ATOM 0 HB ILE A 23 1.971 6.128 -2.756 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.275 5.208 -2.436 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.582 5.893 -0.979 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.946 5.700 -0.625 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.044 5.131 -1.991 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.864 3.963 -1.002 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.762 3.790 -0.483 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.021 3.615 -0.159 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.725 2.920 -1.638 1.00 12.30 H new ATOM 372 N GLU A 24 0.442 4.746 -5.282 1.00 9.54 N ATOM 373 CA GLU A 24 -0.706 4.549 -6.217 1.00 11.81 C ATOM 374 C GLU A 24 -0.592 3.270 -7.061 1.00 11.14 C ATOM 375 O GLU A 24 -1.508 2.510 -7.207 1.00 10.62 O ATOM 376 CB GLU A 24 -0.973 5.834 -7.097 1.00 19.24 C ATOM 377 CG GLU A 24 -2.450 5.978 -7.597 1.00 27.76 C ATOM 378 CD GLU A 24 -2.503 7.235 -8.418 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.335 8.386 -7.912 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.557 7.118 -9.666 1.00 36.51 O ATOM 0 H GLU A 24 0.985 5.585 -5.487 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.586 4.402 -5.590 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.711 6.718 -6.516 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.310 5.812 -7.962 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -2.744 5.113 -8.192 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -3.140 6.035 -6.755 1.00 27.76 H new ATOM 387 N ASN A 25 0.624 3.005 -7.525 1.00 9.43 N ATOM 388 CA ASN A 25 0.924 1.850 -8.370 1.00 10.96 C ATOM 389 C ASN A 25 1.032 0.511 -7.669 1.00 9.68 C ATOM 390 O ASN A 25 0.647 -0.561 -8.231 1.00 9.33 O ATOM 391 CB ASN A 25 2.185 1.986 -9.265 1.00 16.78 C ATOM 392 CG ASN A 25 2.044 3.084 -10.315 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.004 3.669 -10.591 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.180 3.317 -10.956 1.00 24.70 N ATOM 0 H ASN A 25 1.437 3.588 -7.325 1.00 9.43 H new ATOM 0 HA ASN A 25 0.024 1.858 -8.985 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.050 2.198 -8.637 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.377 1.035 -9.762 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.209 4.004 -11.709 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.026 2.809 -10.696 1.00 24.70 H new ATOM 401 N VAL A 26 1.321 0.492 -6.340 1.00 6.52 N ATOM 402 CA VAL A 26 1.104 -0.532 -5.355 1.00 5.53 C ATOM 403 C VAL A 26 -0.403 -0.753 -5.073 1.00 4.42 C ATOM 404 O VAL A 26 -0.829 -1.892 -4.974 1.00 3.40 O ATOM 405 CB VAL A 26 1.901 -0.260 -4.049 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.734 -1.406 -2.972 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.421 -0.309 -4.400 1.00 8.12 C ATOM 0 H VAL A 26 1.764 1.305 -5.912 1.00 6.52 H new ATOM 0 HA VAL A 26 1.489 -1.461 -5.775 1.00 5.53 H new ATOM 0 HB VAL A 26 1.538 0.690 -3.657 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.314 -1.158 -2.083 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.682 -1.502 -2.703 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.090 -2.349 -3.386 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.008 -0.121 -3.501 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.671 -1.292 -4.798 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.647 0.452 -5.146 1.00 8.12 H new ATOM 417 N LYS A 27 -1.221 0.297 -4.957 1.00 2.64 N ATOM 418 CA LYS A 27 -2.635 0.088 -4.708 1.00 4.14 C ATOM 419 C LYS A 27 -3.340 -0.533 -5.946 1.00 5.58 C ATOM 420 O LYS A 27 -4.356 -1.155 -5.829 1.00 4.11 O ATOM 421 CB LYS A 27 -3.364 1.373 -4.191 1.00 3.97 C ATOM 422 CG LYS A 27 -2.974 1.848 -2.788 1.00 7.45 C ATOM 423 CD LYS A 27 -3.705 3.168 -2.324 1.00 9.02 C ATOM 424 CE LYS A 27 -3.545 4.434 -3.293 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.392 5.452 -2.823 1.00 15.47 N ATOM 0 H LYS A 27 -0.932 1.272 -5.030 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.705 -0.634 -3.894 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.171 2.183 -4.894 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.438 1.188 -4.205 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.194 1.054 -2.074 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.897 2.013 -2.759 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.768 2.952 -2.213 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.330 3.440 -1.337 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.510 4.775 -3.306 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.805 4.165 -4.317 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.801 5.964 -3.631 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.156 5.033 -2.255 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.846 6.114 -2.235 1.00 15.47 H new ATOM 439 N ALA A 28 -2.703 -0.390 -7.134 1.00 6.61 N ATOM 440 CA ALA A 28 -2.958 -1.046 -8.314 1.00 7.74 C ATOM 441 C ALA A 28 -2.570 -2.505 -8.273 1.00 9.17 C ATOM 442 O ALA A 28 -3.289 -3.332 -8.781 1.00 11.45 O ATOM 443 CB ALA A 28 -2.257 -0.312 -9.492 1.00 7.68 C ATOM 0 H ALA A 28 -1.930 0.268 -7.234 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.037 -1.026 -8.469 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.464 -0.839 -10.424 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.634 0.709 -9.560 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.181 -0.291 -9.319 1.00 7.68 H new ATOM 449 N LYS A 29 -1.364 -2.871 -7.720 1.00 8.96 N ATOM 450 CA LYS A 29 -0.922 -4.208 -7.521 1.00 7.90 C ATOM 451 C LYS A 29 -1.933 -4.942 -6.624 1.00 6.92 C ATOM 452 O LYS A 29 -2.360 -6.068 -6.926 1.00 6.87 O ATOM 453 CB LYS A 29 0.533 -4.259 -7.008 1.00 10.28 C ATOM 454 CG LYS A 29 1.288 -5.533 -7.476 1.00 14.94 C ATOM 455 CD LYS A 29 1.439 -5.809 -8.978 1.00 19.69 C ATOM 456 CE LYS A 29 2.476 -6.902 -9.119 1.00 22.63 C ATOM 457 NZ LYS A 29 2.644 -7.275 -10.484 1.00 24.98 N ATOM 0 H LYS A 29 -0.682 -2.181 -7.405 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.891 -4.736 -8.474 1.00 7.90 H new ATOM 0 HB2 LYS A 29 1.068 -3.376 -7.356 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.532 -4.222 -5.919 1.00 10.28 H new ATOM 0 HG2 LYS A 29 2.290 -5.496 -7.048 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.784 -6.393 -7.034 1.00 14.94 H new ATOM 0 HD2 LYS A 29 0.488 -6.120 -9.412 1.00 19.69 H new ATOM 0 HD3 LYS A 29 1.752 -4.909 -9.507 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.428 -6.560 -8.712 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.174 -7.772 -8.535 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.360 -8.026 -10.553 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 1.740 -7.623 -10.863 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.954 -6.449 -11.034 1.00 24.98 H new ATOM 471 N ILE A 30 -2.448 -4.197 -5.579 1.00 4.57 N ATOM 472 CA ILE A 30 -3.486 -4.632 -4.680 1.00 5.58 C ATOM 473 C ILE A 30 -4.821 -4.804 -5.432 1.00 7.26 C ATOM 474 O ILE A 30 -5.458 -5.842 -5.348 1.00 9.46 O ATOM 475 CB ILE A 30 -3.576 -3.796 -3.471 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.243 -3.788 -2.675 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.841 -4.200 -2.605 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.128 -2.777 -1.544 1.00 2.00 C ATOM 0 H ILE A 30 -2.114 -3.256 -5.369 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.218 -5.618 -4.302 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.730 -2.760 -3.773 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.090 -4.783 -2.258 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.429 -3.607 -3.377 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.890 -3.571 -1.716 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.746 -4.063 -3.197 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.758 -5.245 -2.306 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.152 -2.873 -1.068 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.239 -1.769 -1.944 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.910 -2.964 -0.808 1.00 2.00 H new ATOM 490 N GLN A 31 -5.308 -3.885 -6.285 1.00 7.06 N ATOM 491 CA GLN A 31 -6.535 -4.091 -7.098 1.00 8.67 C ATOM 492 C GLN A 31 -6.416 -5.273 -8.035 1.00 10.90 C ATOM 493 O GLN A 31 -7.415 -5.954 -8.258 1.00 9.63 O ATOM 494 CB GLN A 31 -6.983 -2.774 -7.893 1.00 9.12 C ATOM 495 CG GLN A 31 -8.218 -3.040 -8.723 1.00 10.76 C ATOM 496 CD GLN A 31 -8.500 -1.862 -9.678 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.593 -1.325 -10.316 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.712 -1.385 -9.814 1.00 14.76 N ATOM 0 H GLN A 31 -4.867 -2.977 -6.435 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.324 -4.317 -6.380 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -7.181 -1.968 -7.187 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.171 -2.440 -8.539 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.085 -3.956 -9.298 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.075 -3.196 -8.068 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.486 -1.806 -9.300 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.882 -0.593 -10.433 1.00 14.76 H new ATOM 507 N ASP A 32 -5.252 -5.480 -8.695 1.00 10.93 N ATOM 508 CA ASP A 32 -4.869 -6.693 -9.459 1.00 14.01 C ATOM 509 C ASP A 32 -5.031 -7.955 -8.729 1.00 14.04 C ATOM 510 O ASP A 32 -5.547 -8.898 -9.302 1.00 13.39 O ATOM 511 CB ASP A 32 -3.476 -6.449 -10.002 1.00 18.01 C ATOM 512 CG ASP A 32 -2.935 -7.581 -10.868 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.435 -7.668 -12.059 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.024 -8.319 -10.389 1.00 25.17 O ATOM 0 H ASP A 32 -4.518 -4.772 -8.710 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.565 -6.842 -10.285 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.483 -5.530 -10.588 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.795 -6.289 -9.166 1.00 18.01 H new ATOM 519 N LYS A 33 -4.620 -8.091 -7.497 1.00 14.22 N ATOM 520 CA LYS A 33 -4.807 -9.279 -6.761 1.00 14.00 C ATOM 521 C LYS A 33 -6.197 -9.448 -6.130 1.00 12.37 C ATOM 522 O LYS A 33 -6.841 -10.495 -6.063 1.00 12.17 O ATOM 523 CB LYS A 33 -3.737 -9.208 -5.705 1.00 18.62 C ATOM 524 CG LYS A 33 -3.429 -10.465 -4.842 1.00 24.00 C ATOM 525 CD LYS A 33 -3.029 -11.728 -5.663 1.00 27.61 C ATOM 526 CE LYS A 33 -1.514 -11.877 -5.948 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.222 -13.193 -6.582 1.00 30.06 N ATOM 0 H LYS A 33 -4.138 -7.355 -6.981 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.739 -10.146 -7.418 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.810 -8.915 -6.198 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.004 -8.401 -5.023 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.622 -10.226 -4.149 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.306 -10.701 -4.240 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.370 -12.613 -5.127 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.561 -11.707 -6.614 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.182 -11.071 -6.602 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.953 -11.784 -5.018 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.201 -13.272 -6.764 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.520 -13.959 -5.945 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.741 -13.268 -7.480 1.00 30.06 H new ATOM 541 N GLU A 34 -6.695 -8.353 -5.548 1.00 10.11 N ATOM 542 CA GLU A 34 -7.765 -8.422 -4.563 1.00 10.07 C ATOM 543 C GLU A 34 -9.038 -7.761 -4.953 1.00 9.32 C ATOM 544 O GLU A 34 -10.037 -7.914 -4.270 1.00 11.61 O ATOM 545 CB GLU A 34 -7.345 -7.766 -3.116 1.00 14.77 C ATOM 546 CG GLU A 34 -6.262 -8.489 -2.294 1.00 18.75 C ATOM 547 CD GLU A 34 -6.710 -9.900 -1.910 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.818 -10.060 -1.268 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.038 -10.922 -2.210 1.00 25.19 O ATOM 0 H GLU A 34 -6.369 -7.407 -5.747 1.00 10.11 H new ATOM 0 HA GLU A 34 -7.927 -9.498 -4.493 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.006 -6.746 -3.295 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.244 -7.700 -2.503 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.339 -8.542 -2.871 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.043 -7.916 -1.393 1.00 18.75 H new ATOM 556 N GLY A 35 -9.066 -6.971 -6.065 1.00 7.22 N ATOM 557 CA GLY A 35 -10.299 -6.324 -6.539 1.00 6.29 C ATOM 558 C GLY A 35 -10.728 -5.106 -5.782 1.00 6.93 C ATOM 559 O GLY A 35 -11.721 -4.455 -6.113 1.00 7.41 O ATOM 0 H GLY A 35 -8.246 -6.775 -6.639 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.164 -6.050 -7.585 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.107 -7.054 -6.503 1.00 6.29 H new ATOM 563 N ILE A 36 -9.917 -4.607 -4.817 1.00 5.86 N ATOM 564 CA ILE A 36 -10.231 -3.413 -4.012 1.00 6.07 C ATOM 565 C ILE A 36 -9.913 -2.154 -4.806 1.00 6.36 C ATOM 566 O ILE A 36 -8.775 -2.049 -5.225 1.00 6.18 O ATOM 567 CB ILE A 36 -9.407 -3.270 -2.771 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.132 -4.630 -2.072 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.213 -2.401 -1.754 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.121 -4.366 -0.934 1.00 9.49 C ATOM 0 H ILE A 36 -9.020 -5.030 -4.578 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.283 -3.535 -3.754 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.455 -2.826 -3.062 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.056 -5.052 -1.675 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -8.731 -5.353 -2.782 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.634 -2.281 -0.839 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.411 -1.421 -2.189 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.158 -2.893 -1.524 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -7.902 -5.301 -0.418 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.201 -3.958 -1.352 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.546 -3.653 -0.228 1.00 9.49 H new ATOM 582 N PRO A 37 -10.847 -1.175 -4.964 1.00 8.65 N ATOM 583 CA PRO A 37 -10.656 0.071 -5.646 1.00 9.18 C ATOM 584 C PRO A 37 -9.490 0.916 -5.105 1.00 9.85 C ATOM 585 O PRO A 37 -9.557 1.190 -3.915 1.00 8.51 O ATOM 586 CB PRO A 37 -11.968 0.836 -5.437 1.00 11.42 C ATOM 587 CG PRO A 37 -13.031 -0.271 -5.355 1.00 9.27 C ATOM 588 CD PRO A 37 -12.343 -1.499 -4.807 1.00 8.33 C ATOM 0 HA PRO A 37 -10.406 -0.123 -6.689 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.942 1.433 -4.526 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.167 1.521 -6.261 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.855 0.031 -4.708 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.456 -0.473 -6.338 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.608 -1.675 -3.765 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.620 -2.395 -5.362 1.00 8.33 H new ATOM 596 N PRO A 38 -8.473 1.312 -5.833 1.00 8.71 N ATOM 597 CA PRO A 38 -7.407 2.211 -5.378 1.00 9.08 C ATOM 598 C PRO A 38 -7.975 3.591 -4.894 1.00 9.28 C ATOM 599 O PRO A 38 -7.245 4.272 -4.203 1.00 6.50 O ATOM 600 CB PRO A 38 -6.382 2.240 -6.531 1.00 10.31 C ATOM 601 CG PRO A 38 -6.732 1.042 -7.360 1.00 10.81 C ATOM 602 CD PRO A 38 -8.256 0.817 -7.150 1.00 12.00 C ATOM 0 HA PRO A 38 -6.897 1.868 -4.478 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.458 3.161 -7.109 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.360 2.182 -6.157 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.503 1.213 -8.412 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.160 0.168 -7.047 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.849 1.358 -7.887 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.524 -0.236 -7.235 1.00 12.00 H new ATOM 610 N ASP A 39 -9.207 3.959 -5.208 1.00 11.20 N ATOM 611 CA ASP A 39 -9.947 5.049 -4.632 1.00 14.96 C ATOM 612 C ASP A 39 -10.219 4.846 -3.101 1.00 13.99 C ATOM 613 O ASP A 39 -10.091 5.741 -2.265 1.00 13.75 O ATOM 614 CB ASP A 39 -11.158 5.260 -5.510 1.00 24.16 C ATOM 615 CG ASP A 39 -10.956 5.969 -6.791 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.826 7.209 -6.914 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.982 5.297 -7.842 1.00 34.22 O ATOM 0 H ASP A 39 -9.744 3.465 -5.921 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.376 5.977 -4.625 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.588 4.283 -5.730 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.900 5.812 -4.933 1.00 24.16 H new ATOM 622 N GLN A 40 -10.670 3.597 -2.745 1.00 11.60 N ATOM 623 CA GLN A 40 -11.007 3.282 -1.307 1.00 10.76 C ATOM 624 C GLN A 40 -9.731 3.060 -0.468 1.00 8.01 C ATOM 625 O GLN A 40 -9.606 3.599 0.621 1.00 8.96 O ATOM 626 CB GLN A 40 -11.848 1.987 -1.214 1.00 11.14 C ATOM 627 CG GLN A 40 -13.087 2.037 -2.044 1.00 14.85 C ATOM 628 CD GLN A 40 -13.912 0.790 -2.032 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.516 -0.324 -1.669 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.132 0.951 -2.559 1.00 18.16 N ATOM 0 H GLN A 40 -10.805 2.824 -3.397 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.566 4.135 -0.922 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.239 1.141 -1.531 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.121 1.811 -0.173 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.704 2.865 -1.697 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.807 2.258 -3.074 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.442 1.877 -2.853 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.751 0.148 -2.666 1.00 18.16 H new ATOM 639 N GLN A 41 -8.710 2.410 -1.057 1.00 6.52 N ATOM 640 CA GLN A 41 -7.469 2.040 -0.466 1.00 3.87 C ATOM 641 C GLN A 41 -6.601 3.212 -0.050 1.00 4.79 C ATOM 642 O GLN A 41 -6.299 4.130 -0.821 1.00 6.34 O ATOM 643 CB GLN A 41 -6.673 1.241 -1.458 1.00 4.20 C ATOM 644 CG GLN A 41 -7.220 -0.173 -1.858 1.00 3.20 C ATOM 645 CD GLN A 41 -6.093 -0.863 -2.620 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.994 -1.051 -2.141 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.424 -1.082 -3.912 1.00 7.13 N ATOM 0 H GLN A 41 -8.764 2.121 -2.034 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.727 1.479 0.432 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.578 1.834 -2.368 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.668 1.111 -1.056 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.501 -0.746 -0.975 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.112 -0.085 -2.478 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.374 -0.897 -4.233 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.724 -1.432 -4.566 1.00 7.13 H new ATOM 656 N ARG A 42 -6.063 3.155 1.174 1.00 5.73 N ATOM 657 CA ARG A 42 -5.152 4.099 1.798 1.00 6.97 C ATOM 658 C ARG A 42 -4.037 3.263 2.498 1.00 7.15 C ATOM 659 O ARG A 42 -4.344 2.365 3.289 1.00 7.33 O ATOM 660 CB ARG A 42 -5.929 4.998 2.826 1.00 13.23 C ATOM 661 CG ARG A 42 -6.591 6.198 2.174 1.00 21.27 C ATOM 662 CD ARG A 42 -7.459 7.015 3.158 1.00 26.14 C ATOM 663 NE ARG A 42 -7.804 8.276 2.510 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.521 9.185 3.181 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.870 9.006 4.470 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.948 10.261 2.626 1.00 36.39 N ATOM 0 H ARG A 42 -6.277 2.378 1.799 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.708 4.769 1.062 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.688 4.397 3.326 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.238 5.343 3.595 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.823 6.845 1.752 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.212 5.858 1.345 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.361 6.462 3.421 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.915 7.198 4.085 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.501 8.463 1.554 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.587 8.159 4.962 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.417 9.718 4.954 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.743 10.444 1.644 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.492 10.933 3.167 1.00 36.39 H new ATOM 680 N LEU A 43 -2.761 3.384 2.122 1.00 4.65 N ATOM 681 CA LEU A 43 -1.621 2.658 2.764 1.00 3.51 C ATOM 682 C LEU A 43 -1.040 3.352 4.034 1.00 5.56 C ATOM 683 O LEU A 43 -1.078 4.585 4.116 1.00 4.19 O ATOM 684 CB LEU A 43 -0.500 2.325 1.691 1.00 3.74 C ATOM 685 CG LEU A 43 -0.834 1.227 0.706 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.397 0.897 -0.086 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.315 -0.121 1.271 1.00 6.41 C ATOM 0 H LEU A 43 -2.469 3.991 1.356 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.033 1.722 3.142 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.279 3.234 1.131 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.411 2.047 2.220 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.667 1.650 0.145 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.169 0.106 -0.800 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.733 1.784 -0.622 1.00 9.55 H new ATOM 0 HD13 LEU A 43 1.184 0.561 0.589 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.516 -0.809 0.450 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.543 -0.541 1.916 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.227 0.031 1.848 1.00 6.41 H new ATOM 699 N ILE A 44 -0.635 2.482 5.032 1.00 4.58 N ATOM 700 CA ILE A 44 -0.083 2.929 6.319 1.00 5.55 C ATOM 701 C ILE A 44 1.277 2.306 6.581 1.00 5.46 C ATOM 702 O ILE A 44 1.475 1.114 6.322 1.00 6.04 O ATOM 703 CB ILE A 44 -0.970 2.481 7.448 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.451 3.088 7.254 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.371 3.071 8.731 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.670 4.615 7.289 1.00 13.90 C ATOM 0 H ILE A 44 -0.692 1.468 4.943 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.008 4.015 6.268 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.033 1.393 7.484 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.825 2.729 6.295 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.084 2.652 8.027 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.979 2.775 9.586 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.645 2.699 8.863 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.353 4.158 8.657 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.727 4.834 7.141 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.350 5.006 8.255 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.088 5.084 6.496 1.00 13.90 H new ATOM 718 N PHE A 45 2.323 3.043 7.014 1.00 6.75 N ATOM 719 CA PHE A 45 3.658 2.488 7.441 1.00 4.70 C ATOM 720 C PHE A 45 4.296 3.478 8.429 1.00 6.34 C ATOM 721 O PHE A 45 4.190 4.721 8.325 1.00 5.45 O ATOM 722 CB PHE A 45 4.611 2.079 6.260 1.00 5.51 C ATOM 723 CG PHE A 45 6.076 1.921 6.554 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.647 0.682 7.024 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.943 3.001 6.476 1.00 5.87 C ATOM 726 CE1 PHE A 45 8.024 0.631 7.351 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.267 2.964 6.892 1.00 6.64 C ATOM 728 CZ PHE A 45 8.833 1.774 7.321 1.00 6.84 C ATOM 0 H PHE A 45 2.278 4.060 7.084 1.00 6.75 H new ATOM 0 HA PHE A 45 3.486 1.534 7.939 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.249 1.135 5.852 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.508 2.827 5.474 1.00 5.51 H new ATOM 0 HD1 PHE A 45 6.030 -0.198 7.125 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.565 3.926 6.067 1.00 5.87 H new ATOM 0 HE1 PHE A 45 8.462 -0.315 7.631 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.859 3.867 6.881 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.869 1.729 7.624 1.00 6.84 H new ATOM 738 N ALA A 46 4.944 2.887 9.488 1.00 6.53 N ATOM 739 CA ALA A 46 5.484 3.551 10.691 1.00 7.15 C ATOM 740 C ALA A 46 4.483 4.468 11.313 1.00 9.00 C ATOM 741 O ALA A 46 4.804 5.458 11.970 1.00 11.15 O ATOM 742 CB ALA A 46 6.816 4.237 10.497 1.00 8.99 C ATOM 0 H ALA A 46 5.104 1.880 9.510 1.00 6.53 H new ATOM 0 HA ALA A 46 5.688 2.736 11.385 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.130 4.695 11.435 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.560 3.505 10.184 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.721 5.007 9.732 1.00 8.99 H new ATOM 748 N GLY A 47 3.158 4.086 11.213 1.00 9.35 N ATOM 749 CA GLY A 47 2.032 4.717 11.934 1.00 11.68 C ATOM 750 C GLY A 47 1.470 5.848 11.128 1.00 11.14 C ATOM 751 O GLY A 47 0.337 6.228 11.393 1.00 13.93 O ATOM 0 H GLY A 47 2.860 3.316 10.614 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.255 3.978 12.128 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.371 5.084 12.903 1.00 11.68 H new ATOM 755 N LYS A 48 2.117 6.493 10.084 1.00 10.47 N ATOM 756 CA LYS A 48 1.571 7.549 9.295 1.00 8.82 C ATOM 757 C LYS A 48 1.023 7.025 7.971 1.00 7.68 C ATOM 758 O LYS A 48 1.422 5.991 7.418 1.00 6.47 O ATOM 759 CB LYS A 48 2.697 8.617 9.095 1.00 9.74 C ATOM 760 CG LYS A 48 3.970 8.047 8.481 1.00 14.14 C ATOM 761 CD LYS A 48 5.088 9.061 8.386 1.00 16.32 C ATOM 762 CE LYS A 48 6.377 8.419 7.844 1.00 20.04 C ATOM 763 NZ LYS A 48 7.357 9.510 7.672 1.00 23.92 N ATOM 0 H LYS A 48 3.065 6.244 9.801 1.00 10.47 H new ATOM 0 HA LYS A 48 0.721 8.007 9.801 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.320 9.416 8.456 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.937 9.066 10.059 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.306 7.199 9.078 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.747 7.667 7.484 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.785 9.880 7.734 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.278 9.490 9.370 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.754 7.666 8.536 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.189 7.915 6.896 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.249 9.121 7.305 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.983 10.210 7.000 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.531 9.969 8.589 1.00 23.92 H new ATOM 777 N GLN A 49 -0.003 7.716 7.407 1.00 8.89 N ATOM 778 CA GLN A 49 -0.489 7.451 6.031 1.00 7.18 C ATOM 779 C GLN A 49 0.469 7.878 4.950 1.00 8.23 C ATOM 780 O GLN A 49 1.108 8.965 4.883 1.00 9.70 O ATOM 781 CB GLN A 49 -1.826 8.081 5.833 1.00 11.67 C ATOM 782 CG GLN A 49 -2.667 7.708 4.611 1.00 15.82 C ATOM 783 CD GLN A 49 -4.100 8.199 4.798 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.601 8.978 3.995 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.792 7.693 5.854 1.00 20.67 N ATOM 0 H GLN A 49 -0.508 8.461 7.887 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.571 6.368 5.936 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.423 7.862 6.718 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.677 9.160 5.808 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.236 8.151 3.713 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.659 6.627 4.469 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.337 7.047 6.499 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.766 7.960 6.001 1.00 20.67 H new ATOM 794 N LEU A 50 0.646 7.047 3.949 1.00 6.51 N ATOM 795 CA LEU A 50 1.587 7.091 2.856 1.00 7.41 C ATOM 796 C LEU A 50 1.018 7.723 1.578 1.00 8.27 C ATOM 797 O LEU A 50 -0.085 7.345 1.212 1.00 8.34 O ATOM 798 CB LEU A 50 2.160 5.716 2.493 1.00 7.13 C ATOM 799 CG LEU A 50 2.637 4.794 3.676 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.166 3.397 3.091 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.777 5.435 4.522 1.00 9.11 C ATOM 0 H LEU A 50 0.056 6.218 3.875 1.00 6.51 H new ATOM 0 HA LEU A 50 2.386 7.726 3.240 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.402 5.174 1.928 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.006 5.870 1.824 1.00 7.13 H new ATOM 0 HG LEU A 50 1.775 4.650 4.327 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.496 2.760 3.912 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.361 2.902 2.548 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.001 3.579 2.415 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.064 4.753 5.322 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.639 5.628 3.884 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.427 6.373 4.953 1.00 9.11 H new ATOM 813 N GLU A 51 1.740 8.683 0.986 1.00 9.43 N ATOM 814 CA GLU A 51 1.279 9.528 -0.027 1.00 11.90 C ATOM 815 C GLU A 51 1.406 8.907 -1.398 1.00 11.49 C ATOM 816 O GLU A 51 2.507 8.460 -1.796 1.00 9.88 O ATOM 817 CB GLU A 51 1.960 10.879 -0.015 1.00 16.56 C ATOM 818 CG GLU A 51 1.620 11.865 -1.110 1.00 26.06 C ATOM 819 CD GLU A 51 2.237 13.247 -0.774 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.024 13.795 0.310 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.947 13.819 -1.638 1.00 32.13 O ATOM 0 H GLU A 51 2.709 8.869 1.243 1.00 9.43 H new ATOM 0 HA GLU A 51 0.221 9.678 0.187 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.738 11.354 0.940 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.036 10.709 -0.044 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.002 11.508 -2.066 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.538 11.953 -1.211 1.00 26.06 H new ATOM 828 N ASP A 52 0.245 8.845 -2.110 1.00 12.71 N ATOM 829 CA ASP A 52 0.011 8.006 -3.270 1.00 16.56 C ATOM 830 C ASP A 52 1.066 8.366 -4.403 1.00 15.83 C ATOM 831 O ASP A 52 1.506 7.464 -5.128 1.00 17.21 O ATOM 832 CB ASP A 52 -1.439 8.082 -3.923 1.00 21.05 C ATOM 833 CG ASP A 52 -2.486 8.077 -2.859 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.481 7.210 -1.986 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.354 9.029 -2.888 1.00 28.37 O ATOM 0 H ASP A 52 -0.569 9.408 -1.864 1.00 12.71 H new ATOM 0 HA ASP A 52 0.113 6.991 -2.885 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.527 8.986 -4.526 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.588 7.236 -4.594 1.00 21.05 H new ATOM 840 N GLY A 53 1.468 9.663 -4.561 1.00 15.00 N ATOM 841 CA GLY A 53 2.415 10.123 -5.575 1.00 11.77 C ATOM 842 C GLY A 53 3.875 10.118 -5.091 1.00 11.10 C ATOM 843 O GLY A 53 4.720 10.896 -5.534 1.00 11.25 O ATOM 0 H GLY A 53 1.125 10.417 -3.966 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.330 9.488 -6.457 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.145 11.133 -5.883 1.00 11.77 H new ATOM 847 N ARG A 54 4.247 9.230 -4.204 1.00 8.53 N ATOM 848 CA ARG A 54 5.658 9.082 -3.903 1.00 9.05 C ATOM 849 C ARG A 54 5.931 7.539 -3.990 1.00 8.96 C ATOM 850 O ARG A 54 5.087 6.674 -4.282 1.00 11.60 O ATOM 851 CB ARG A 54 6.097 9.593 -2.512 1.00 7.97 C ATOM 852 CG ARG A 54 5.549 11.015 -2.208 1.00 9.62 C ATOM 853 CD ARG A 54 6.290 11.579 -1.013 1.00 12.20 C ATOM 854 NE ARG A 54 5.519 12.830 -0.830 1.00 18.23 N ATOM 855 CZ ARG A 54 5.756 13.738 0.098 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.764 13.709 0.897 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.892 14.743 0.118 1.00 23.38 N ATOM 0 H ARG A 54 3.619 8.613 -3.689 1.00 8.53 H new ATOM 0 HA ARG A 54 6.227 9.690 -4.607 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.749 8.900 -1.746 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.186 9.606 -2.459 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.681 11.663 -3.074 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.479 10.971 -2.003 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.244 10.925 -0.142 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.345 11.761 -1.219 1.00 12.20 H new ATOM 0 HE ARG A 54 4.745 13.003 -1.471 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.442 12.949 0.835 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.885 14.446 1.592 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.122 14.767 -0.551 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.997 15.492 0.802 1.00 23.38 H new ATOM 871 N THR A 55 7.174 7.018 -3.817 1.00 9.05 N ATOM 872 CA THR A 55 7.641 5.657 -3.932 1.00 9.03 C ATOM 873 C THR A 55 7.937 5.024 -2.603 1.00 8.15 C ATOM 874 O THR A 55 8.059 5.646 -1.497 1.00 5.91 O ATOM 875 CB THR A 55 8.866 5.546 -4.802 1.00 11.15 C ATOM 876 OG1 THR A 55 10.028 6.103 -4.312 1.00 11.95 O ATOM 877 CG2 THR A 55 8.591 6.223 -6.165 1.00 11.71 C ATOM 0 H THR A 55 7.945 7.636 -3.564 1.00 9.05 H new ATOM 0 HA THR A 55 6.815 5.119 -4.398 1.00 9.03 H new ATOM 0 HB THR A 55 9.040 4.472 -4.863 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.952 7.080 -4.323 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.476 6.144 -6.796 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.752 5.729 -6.654 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.351 7.274 -6.007 1.00 11.71 H new ATOM 885 N LEU A 56 8.023 3.618 -2.596 1.00 6.91 N ATOM 886 CA LEU A 56 8.383 2.839 -1.420 1.00 8.29 C ATOM 887 C LEU A 56 9.754 3.168 -0.867 1.00 8.05 C ATOM 888 O LEU A 56 9.945 3.267 0.364 1.00 10.17 O ATOM 889 CB LEU A 56 8.369 1.213 -1.798 1.00 6.60 C ATOM 890 CG LEU A 56 6.953 0.662 -2.100 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.028 -0.803 -2.638 1.00 9.85 C ATOM 892 CD2 LEU A 56 5.990 0.730 -0.857 1.00 8.64 C ATOM 0 H LEU A 56 7.837 3.047 -3.421 1.00 6.91 H new ATOM 0 HA LEU A 56 7.644 3.091 -0.659 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.009 1.044 -2.664 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.800 0.651 -0.969 1.00 6.60 H new ATOM 0 HG LEU A 56 6.532 1.309 -2.869 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.021 -1.167 -2.843 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.615 -0.824 -3.556 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.500 -1.441 -1.891 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.014 0.330 -1.131 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.408 0.141 -0.041 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.881 1.766 -0.538 1.00 8.64 H new ATOM 904 N SER A 57 10.642 3.511 -1.812 1.00 8.92 N ATOM 905 CA SER A 57 11.984 3.981 -1.571 1.00 9.00 C ATOM 906 C SER A 57 11.958 5.255 -0.741 1.00 9.44 C ATOM 907 O SER A 57 12.878 5.475 0.059 1.00 10.91 O ATOM 908 CB SER A 57 12.681 4.170 -2.952 1.00 10.32 C ATOM 909 OG SER A 57 14.113 4.315 -2.882 1.00 13.59 O ATOM 0 H SER A 57 10.418 3.460 -2.806 1.00 8.92 H new ATOM 0 HA SER A 57 12.556 3.257 -0.991 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.445 3.314 -3.584 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.262 5.051 -3.439 1.00 10.32 H new ATOM 0 HG SER A 57 14.475 4.427 -3.786 1.00 13.59 H new ATOM 915 N ASP A 58 11.082 6.240 -1.004 1.00 9.11 N ATOM 916 CA ASP A 58 11.043 7.462 -0.293 1.00 7.91 C ATOM 917 C ASP A 58 10.727 7.368 1.196 1.00 9.12 C ATOM 918 O ASP A 58 11.300 8.111 1.996 1.00 8.61 O ATOM 919 CB ASP A 58 10.024 8.471 -0.954 1.00 8.41 C ATOM 920 CG ASP A 58 10.466 8.851 -2.393 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.543 9.522 -2.558 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.748 8.439 -3.359 1.00 11.70 O ATOM 0 H ASP A 58 10.379 6.175 -1.740 1.00 9.11 H new ATOM 0 HA ASP A 58 12.071 7.819 -0.362 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.031 8.023 -0.982 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.951 9.371 -0.343 1.00 8.41 H new ATOM 927 N TYR A 59 9.911 6.365 1.590 1.00 7.97 N ATOM 928 CA TYR A 59 9.645 5.963 3.031 1.00 8.45 C ATOM 929 C TYR A 59 10.603 4.850 3.498 1.00 10.98 C ATOM 930 O TYR A 59 10.667 4.428 4.636 1.00 12.95 O ATOM 931 CB TYR A 59 8.165 5.343 3.070 1.00 7.94 C ATOM 932 CG TYR A 59 7.179 6.459 2.828 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.073 7.499 3.765 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.202 6.449 1.750 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.097 8.449 3.730 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.361 7.512 1.571 1.00 6.52 C ATOM 937 CZ TYR A 59 5.190 8.461 2.607 1.00 6.76 C ATOM 938 OH TYR A 59 4.246 9.465 2.406 1.00 7.63 O ATOM 0 H TYR A 59 9.400 5.789 0.921 1.00 7.97 H new ATOM 0 HA TYR A 59 9.774 6.835 3.672 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.057 4.569 2.310 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.976 4.871 4.034 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.805 7.549 4.557 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.141 5.598 1.088 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.004 9.176 4.523 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.827 7.628 0.639 1.00 6.52 H new ATOM 0 HH TYR A 59 4.416 9.906 1.548 1.00 7.63 H new ATOM 948 N ASN A 60 11.502 4.397 2.558 1.00 12.38 N ATOM 949 CA ASN A 60 12.690 3.509 2.752 1.00 13.94 C ATOM 950 C ASN A 60 12.238 2.084 3.191 1.00 14.16 C ATOM 951 O ASN A 60 12.752 1.389 4.052 1.00 14.26 O ATOM 952 CB ASN A 60 13.709 4.105 3.770 1.00 19.23 C ATOM 953 CG ASN A 60 14.120 5.502 3.218 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.561 6.576 3.581 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.243 5.472 2.422 1.00 24.09 N ATOM 0 H ASN A 60 11.402 4.666 1.579 1.00 12.38 H new ATOM 0 HA ASN A 60 13.203 3.436 1.793 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.261 4.195 4.760 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.579 3.457 3.872 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.662 6.344 2.098 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.656 4.578 2.157 1.00 24.09 H new ATOM 962 N ILE A 61 11.180 1.659 2.562 1.00 11.08 N ATOM 963 CA ILE A 61 10.473 0.404 2.776 1.00 11.78 C ATOM 964 C ILE A 61 11.274 -0.650 2.126 1.00 13.74 C ATOM 965 O ILE A 61 11.627 -0.512 0.931 1.00 14.60 O ATOM 966 CB ILE A 61 9.020 0.363 2.267 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.184 1.392 3.077 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.365 -1.036 2.262 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.004 1.960 2.219 1.00 11.42 C ATOM 0 H ILE A 61 10.746 2.216 1.826 1.00 11.08 H new ATOM 0 HA ILE A 61 10.373 0.263 3.852 1.00 11.78 H new ATOM 0 HB ILE A 61 9.043 0.633 1.211 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.789 0.918 3.975 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.826 2.210 3.404 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.344 -0.959 1.887 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.938 -1.704 1.619 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.350 -1.434 3.277 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.436 2.678 2.811 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.403 2.455 1.334 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.350 1.143 1.914 1.00 11.42 H new ATOM 981 N GLN A 62 11.656 -1.696 2.828 1.00 13.97 N ATOM 982 CA GLN A 62 12.553 -2.793 2.406 1.00 15.52 C ATOM 983 C GLN A 62 11.905 -4.084 2.033 1.00 13.94 C ATOM 984 O GLN A 62 10.754 -4.300 2.009 1.00 12.15 O ATOM 985 CB GLN A 62 13.561 -3.134 3.568 1.00 19.53 C ATOM 986 CG GLN A 62 14.461 -1.986 4.127 1.00 26.38 C ATOM 987 CD GLN A 62 15.651 -2.620 4.951 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.978 -3.784 4.811 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.240 -1.852 5.943 1.00 32.71 N ATOM 0 H GLN A 62 11.331 -1.828 3.786 1.00 13.97 H new ATOM 0 HA GLN A 62 13.021 -2.397 1.505 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.985 -3.540 4.400 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.217 -3.930 3.216 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.850 -1.380 3.309 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.874 -1.323 4.763 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.967 -0.876 6.062 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.946 -2.262 6.554 1.00 32.71 H new ATOM 998 N LYS A 63 12.711 -4.991 1.516 1.00 11.73 N ATOM 999 CA LYS A 63 12.326 -6.417 1.373 1.00 11.97 C ATOM 1000 C LYS A 63 11.821 -7.123 2.656 1.00 10.41 C ATOM 1001 O LYS A 63 12.396 -7.015 3.740 1.00 9.59 O ATOM 1002 CB LYS A 63 13.608 -7.155 0.767 1.00 13.73 C ATOM 1003 CG LYS A 63 13.527 -8.682 0.387 1.00 16.98 C ATOM 1004 CD LYS A 63 13.764 -9.654 1.533 1.00 20.19 C ATOM 1005 CE LYS A 63 13.586 -11.171 1.069 1.00 23.42 C ATOM 1006 NZ LYS A 63 13.984 -12.076 2.185 1.00 25.97 N ATOM 0 H LYS A 63 13.651 -4.781 1.179 1.00 11.73 H new ATOM 0 HA LYS A 63 11.452 -6.469 0.724 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.901 -6.612 -0.131 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.419 -7.042 1.487 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.543 -8.881 -0.038 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.259 -8.884 -0.395 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.769 -9.511 1.929 1.00 20.19 H new ATOM 0 HD3 LYS A 63 13.068 -9.438 2.343 1.00 20.19 H new ATOM 0 HE2 LYS A 63 12.550 -11.358 0.785 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.198 -11.369 0.189 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 13.951 -13.063 1.860 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.950 -11.845 2.492 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 13.329 -11.952 2.983 1.00 25.97 H new ATOM 1020 N GLU A 64 10.681 -7.887 2.574 1.00 10.04 N ATOM 1021 CA GLU A 64 10.029 -8.471 3.712 1.00 10.94 C ATOM 1022 C GLU A 64 9.701 -7.391 4.759 1.00 9.74 C ATOM 1023 O GLU A 64 10.109 -7.520 5.899 1.00 9.42 O ATOM 1024 CB GLU A 64 10.621 -9.772 4.309 1.00 18.31 C ATOM 1025 CG GLU A 64 10.321 -10.975 3.401 1.00 24.16 C ATOM 1026 CD GLU A 64 10.910 -12.273 3.973 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.163 -12.310 4.165 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.186 -13.288 4.063 1.00 31.72 O ATOM 0 H GLU A 64 10.216 -8.093 1.690 1.00 10.04 H new ATOM 0 HA GLU A 64 9.100 -8.871 3.305 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.699 -9.663 4.432 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.203 -9.946 5.300 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.243 -11.084 3.284 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.732 -10.794 2.408 1.00 24.16 H new ATOM 1035 N SER A 65 8.960 -6.335 4.398 1.00 6.85 N ATOM 1036 CA SER A 65 8.589 -5.300 5.333 1.00 6.90 C ATOM 1037 C SER A 65 7.093 -5.263 5.176 1.00 4.72 C ATOM 1038 O SER A 65 6.554 -5.752 4.192 1.00 3.91 O ATOM 1039 CB SER A 65 9.303 -3.969 5.132 1.00 7.28 C ATOM 1040 OG SER A 65 8.963 -2.986 6.105 1.00 10.56 O ATOM 0 H SER A 65 8.609 -6.187 3.452 1.00 6.85 H new ATOM 0 HA SER A 65 8.900 -5.510 6.356 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.380 -4.136 5.158 1.00 7.28 H new ATOM 0 HB3 SER A 65 9.064 -3.584 4.140 1.00 7.28 H new ATOM 0 HG SER A 65 9.455 -2.159 5.920 1.00 10.56 H new ATOM 1046 N THR A 66 6.377 -4.740 6.164 1.00 4.48 N ATOM 1047 CA THR A 66 4.976 -4.877 6.380 1.00 3.80 C ATOM 1048 C THR A 66 4.360 -3.469 6.187 1.00 4.60 C ATOM 1049 O THR A 66 4.712 -2.561 6.946 1.00 5.33 O ATOM 1050 CB THR A 66 4.601 -5.413 7.784 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.192 -6.672 8.048 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.083 -5.625 7.944 1.00 3.40 C ATOM 0 H THR A 66 6.815 -4.165 6.884 1.00 4.48 H new ATOM 0 HA THR A 66 4.591 -5.614 5.675 1.00 3.80 H new ATOM 0 HB THR A 66 4.965 -4.651 8.473 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.932 -6.974 8.943 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.872 -6.001 8.945 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.566 -4.677 7.796 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.736 -6.347 7.204 1.00 3.40 H new ATOM 1060 N LEU A 67 3.322 -3.347 5.350 1.00 4.17 N ATOM 1061 CA LEU A 67 2.477 -2.194 5.341 1.00 3.85 C ATOM 1062 C LEU A 67 1.114 -2.533 5.959 1.00 3.80 C ATOM 1063 O LEU A 67 0.639 -3.654 5.954 1.00 5.54 O ATOM 1064 CB LEU A 67 2.319 -1.667 3.930 1.00 7.18 C ATOM 1065 CG LEU A 67 3.617 -1.577 3.152 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.367 -1.266 1.662 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.664 -0.632 3.754 1.00 11.66 C ATOM 0 H LEU A 67 3.062 -4.058 4.667 1.00 4.17 H new ATOM 0 HA LEU A 67 2.939 -1.412 5.943 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.628 -2.312 3.388 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.864 -0.677 3.972 1.00 7.18 H new ATOM 0 HG LEU A 67 4.057 -2.571 3.231 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.321 -1.209 1.137 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.758 -2.056 1.223 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.846 -0.313 1.572 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.557 -0.633 3.129 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.257 0.378 3.803 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.923 -0.968 4.758 1.00 11.66 H new ATOM 1079 N HIS A 68 0.465 -1.570 6.524 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.000 -1.689 6.786 1.00 4.17 C ATOM 1081 C HIS A 68 -1.755 -0.985 5.655 1.00 5.32 C ATOM 1082 O HIS A 68 -1.299 -0.065 4.938 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.312 -1.253 8.192 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.887 -2.251 9.213 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.419 -2.623 9.473 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.677 -3.020 10.037 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.348 -3.557 10.511 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.861 -3.837 10.819 1.00 16.30 N ATOM 0 H HIS A 68 0.884 -0.690 6.823 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.350 -2.721 6.761 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.817 -0.303 8.391 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.384 -1.079 8.284 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.756 -2.995 10.072 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.211 -3.990 10.995 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.169 -4.526 11.505 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.013 -1.461 5.454 1.00 5.29 N ATOM 1097 CA LEU A 69 -3.895 -0.935 4.403 1.00 3.97 C ATOM 1098 C LEU A 69 -5.205 -0.647 5.107 1.00 5.07 C ATOM 1099 O LEU A 69 -5.675 -1.428 5.914 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.167 -2.080 3.373 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.343 -1.802 2.316 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.912 -0.649 1.401 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.721 -3.013 1.434 1.00 9.96 C ATOM 0 H LEU A 69 -3.429 -2.207 6.011 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.472 -0.066 3.899 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.247 -2.274 2.822 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.406 -2.990 3.924 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.230 -1.565 2.903 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.700 -0.446 0.676 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.732 0.243 2.000 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.997 -0.924 0.876 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.523 -2.730 0.752 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.851 -3.330 0.859 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.056 -3.834 2.068 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.778 0.532 4.896 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.053 0.920 5.472 1.00 6.26 C ATOM 1117 C VAL A 70 -7.924 1.513 4.353 1.00 9.22 C ATOM 1118 O VAL A 70 -7.420 1.712 3.246 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.996 2.032 6.553 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.260 1.451 7.730 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.169 3.255 6.003 1.00 8.54 C ATOM 0 H VAL A 70 -5.360 1.255 4.310 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.432 0.011 5.938 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.998 2.366 6.823 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.193 2.197 8.522 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.797 0.577 8.100 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.257 1.157 7.422 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.128 4.037 6.761 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.157 2.931 5.761 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.649 3.645 5.105 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.238 1.700 4.671 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.176 2.050 3.656 1.00 16.06 C ATOM 1133 C LEU A 71 -10.921 3.406 3.953 1.00 18.09 C ATOM 1134 O LEU A 71 -11.364 3.667 5.062 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.286 0.949 3.354 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.792 -0.471 3.046 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.966 -1.383 2.763 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.898 -0.462 1.786 1.00 19.57 C ATOM 0 H LEU A 71 -9.628 1.608 5.609 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.541 2.144 2.775 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.954 0.896 4.214 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.882 1.292 2.508 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.232 -0.825 3.911 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.602 -2.387 2.546 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.621 -1.414 3.634 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.522 -1.005 1.905 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.553 -1.475 1.577 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.471 -0.091 0.936 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.038 0.186 1.955 1.00 19.57 H new