USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 -54:sc= 0.43 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.2 K(o=1.6,f=-5!) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 166:sc= -0.0355 (180deg=-0.137) USER MOD Single : A 1 MET N :NH3+ 152:sc= 1.26 (180deg=1.22) USER MOD Single : A 2 GLN : amide:sc= -0.0866 K(o=-0.087,f=-1.1) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= 1.25 (180deg=-0.0607!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 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+ -151:sc= 2.06 (180deg=1.32) USER MOD Single : A 29 LYS NZ :NH3+ -109:sc= 0.134 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.206 X(o=-0.21,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 K(o=0,f=-2!) USER MOD Single : A 41 GLN : amide:sc= 1.16 K(o=1.2,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 120:sc= 0.366 USER MOD Single : A 60 ASN : amide:sc= -0.04 X(o=-0.04,f=-0.44) USER MOD Single : A 62 GLN : amide:sc= -0.0394 X(o=-0.039,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 81:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.529 X(o=-0.53,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.311 -6.751 -4.381 1.00 9.67 N ATOM 2 CA MET A 1 11.916 -7.288 -3.061 1.00 10.38 C ATOM 3 C MET A 1 10.499 -7.764 -2.844 1.00 9.62 C ATOM 4 O MET A 1 9.620 -7.602 -3.683 1.00 9.62 O ATOM 5 CB MET A 1 12.330 -6.187 -2.021 1.00 13.77 C ATOM 6 CG MET A 1 11.418 -4.964 -1.956 1.00 16.29 C ATOM 7 SD MET A 1 12.109 -3.501 -1.159 1.00 17.17 S ATOM 8 CE MET A 1 10.516 -2.608 -1.511 1.00 16.11 C ATOM 0 H1 MET A 1 13.085 -6.067 -4.260 1.00 9.67 H new ATOM 0 H2 MET A 1 12.630 -7.530 -4.991 1.00 9.67 H new ATOM 0 H3 MET A 1 11.496 -6.278 -4.821 1.00 9.67 H new ATOM 0 HA MET A 1 12.434 -8.241 -2.951 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.367 -6.643 -1.032 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.340 -5.852 -2.256 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.129 -4.697 -2.973 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.506 -5.244 -1.429 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.476 -1.690 -0.925 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.462 -2.364 -2.572 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.674 -3.246 -1.243 1.00 16.11 H new ATOM 20 N GLN A 2 10.269 -8.331 -1.640 1.00 9.27 N ATOM 21 CA GLN A 2 8.866 -8.594 -1.223 1.00 9.07 C ATOM 22 C GLN A 2 8.396 -7.507 -0.232 1.00 8.72 C ATOM 23 O GLN A 2 9.228 -6.837 0.382 1.00 8.22 O ATOM 24 CB GLN A 2 8.767 -9.894 -0.350 1.00 14.46 C ATOM 25 CG GLN A 2 9.088 -11.219 -1.068 1.00 17.01 C ATOM 26 CD GLN A 2 8.353 -11.364 -2.410 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.277 -11.929 -2.537 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.969 -10.875 -3.478 1.00 19.49 N ATOM 0 H GLN A 2 10.988 -8.604 -0.970 1.00 9.27 H new ATOM 0 HA GLN A 2 8.287 -8.647 -2.145 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.444 -9.790 0.498 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.757 -9.959 0.055 1.00 14.46 H new ATOM 0 HG2 GLN A 2 10.163 -11.283 -1.239 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.818 -12.053 -0.420 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.867 -10.403 -3.377 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.544 -10.971 -4.400 1.00 19.49 H new ATOM 37 N ILE A 3 7.102 -7.337 -0.054 1.00 5.87 N ATOM 38 CA ILE A 3 6.485 -6.462 0.973 1.00 5.07 C ATOM 39 C ILE A 3 5.178 -7.149 1.316 1.00 4.01 C ATOM 40 O ILE A 3 4.705 -8.011 0.653 1.00 4.61 O ATOM 41 CB ILE A 3 6.246 -5.009 0.610 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.412 -4.946 -0.644 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.608 -4.296 0.447 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.987 -3.573 -0.938 1.00 10.83 C ATOM 0 H ILE A 3 6.409 -7.813 -0.632 1.00 5.87 H new ATOM 0 HA ILE A 3 7.191 -6.363 1.798 1.00 5.07 H new ATOM 0 HB ILE A 3 5.697 -4.495 1.399 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.985 -5.338 -1.484 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.535 -5.583 -0.531 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.443 -3.251 0.186 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.163 -4.353 1.384 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.180 -4.781 -0.344 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.388 -3.565 -1.848 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.392 -3.191 -0.109 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.865 -2.942 -1.076 1.00 10.83 H new ATOM 56 N PHE A 4 4.593 -6.731 2.447 1.00 4.55 N ATOM 57 CA PHE A 4 3.470 -7.324 3.157 1.00 4.68 C ATOM 58 C PHE A 4 2.447 -6.244 3.274 1.00 5.30 C ATOM 59 O PHE A 4 2.703 -5.222 3.896 1.00 5.58 O ATOM 60 CB PHE A 4 3.780 -7.914 4.549 1.00 4.83 C ATOM 61 CG PHE A 4 4.935 -8.864 4.601 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.051 -9.911 3.635 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.858 -8.801 5.618 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.132 -10.728 3.652 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.924 -9.690 5.660 1.00 10.61 C ATOM 66 CZ PHE A 4 7.132 -10.630 4.657 1.00 8.90 C ATOM 0 H PHE A 4 4.930 -5.895 2.924 1.00 4.55 H new ATOM 0 HA PHE A 4 3.137 -8.191 2.587 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.976 -7.092 5.238 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.891 -8.429 4.913 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.279 -10.051 2.893 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.753 -8.054 6.391 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.237 -11.475 2.879 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.609 -9.650 6.494 1.00 10.61 H new ATOM 0 HZ PHE A 4 8.012 -11.256 4.642 1.00 8.90 H new ATOM 76 N VAL A 5 1.192 -6.477 2.833 1.00 4.44 N ATOM 77 CA VAL A 5 0.028 -5.570 2.972 1.00 3.87 C ATOM 78 C VAL A 5 -1.033 -6.204 3.863 1.00 4.93 C ATOM 79 O VAL A 5 -1.606 -7.248 3.463 1.00 6.84 O ATOM 80 CB VAL A 5 -0.614 -5.100 1.665 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.869 -4.202 1.817 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.435 -4.236 0.940 1.00 9.13 C ATOM 0 H VAL A 5 0.950 -7.341 2.348 1.00 4.44 H new ATOM 0 HA VAL A 5 0.441 -4.669 3.426 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.930 -6.003 1.143 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.242 -3.927 0.830 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.643 -4.747 2.358 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.606 -3.300 2.369 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.022 -3.876 -0.002 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.702 -3.386 1.567 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.324 -4.834 0.741 1.00 9.13 H new ATOM 92 N LYS A 6 -1.303 -5.685 5.080 1.00 6.04 N ATOM 93 CA LYS A 6 -2.304 -6.270 5.914 1.00 6.12 C ATOM 94 C LYS A 6 -3.657 -5.734 5.451 1.00 6.57 C ATOM 95 O LYS A 6 -4.031 -4.586 5.772 1.00 5.76 O ATOM 96 CB LYS A 6 -2.067 -5.947 7.398 1.00 7.45 C ATOM 97 CG LYS A 6 -0.773 -6.648 7.903 1.00 11.12 C ATOM 98 CD LYS A 6 -0.546 -6.528 9.412 1.00 14.54 C ATOM 99 CE LYS A 6 -1.673 -6.990 10.344 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.848 -8.490 10.230 1.00 20.55 N ATOM 0 H LYS A 6 -0.833 -4.872 5.478 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.269 -7.356 5.826 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.981 -4.869 7.533 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.921 -6.276 7.990 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.817 -7.704 7.636 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.085 -6.222 7.382 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.350 -7.097 9.662 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.333 -5.483 9.637 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.440 -6.719 11.374 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.603 -6.485 10.084 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.613 -8.799 10.863 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.089 -8.738 9.249 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.962 -8.964 10.499 1.00 20.55 H new ATOM 114 N THR A 7 -4.655 -6.613 4.983 1.00 7.41 N ATOM 115 CA THR A 7 -6.186 -6.354 4.930 1.00 7.48 C ATOM 116 C THR A 7 -6.737 -6.255 6.438 1.00 8.75 C ATOM 117 O THR A 7 -6.158 -6.769 7.368 1.00 8.58 O ATOM 118 CB THR A 7 -6.996 -7.210 4.032 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.140 -8.482 4.655 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.094 -7.420 2.766 1.00 9.17 C ATOM 0 H THR A 7 -4.416 -7.538 4.625 1.00 7.41 H new ATOM 0 HA THR A 7 -6.320 -5.400 4.420 1.00 7.48 H new ATOM 0 HB THR A 7 -7.972 -6.780 3.806 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.675 -9.069 4.081 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.619 -8.046 2.045 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.872 -6.454 2.313 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.163 -7.906 3.059 1.00 9.17 H new ATOM 128 N LEU A 8 -7.927 -5.576 6.555 1.00 9.84 N ATOM 129 CA LEU A 8 -8.760 -5.326 7.780 1.00 14.15 C ATOM 130 C LEU A 8 -9.109 -6.630 8.443 1.00 17.37 C ATOM 131 O LEU A 8 -9.072 -6.698 9.651 1.00 17.01 O ATOM 132 CB LEU A 8 -9.967 -4.441 7.560 1.00 16.63 C ATOM 133 CG LEU A 8 -9.535 -3.074 7.024 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.735 -2.131 7.006 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.516 -2.368 7.991 1.00 18.59 C ATOM 0 H LEU A 8 -8.360 -5.158 5.731 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.139 -4.741 8.459 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.650 -4.916 6.856 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.510 -4.316 8.497 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.101 -3.253 6.040 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.427 -1.158 6.624 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.512 -2.544 6.363 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.124 -2.017 8.018 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.232 -1.400 7.577 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.980 -2.223 8.966 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.628 -2.990 8.101 1.00 18.59 H new ATOM 147 N THR A 9 -9.513 -7.644 7.714 1.00 18.33 N ATOM 148 CA THR A 9 -9.958 -8.912 8.202 1.00 19.24 C ATOM 149 C THR A 9 -8.869 -9.902 8.382 1.00 19.48 C ATOM 150 O THR A 9 -9.081 -11.027 8.804 1.00 23.14 O ATOM 151 CB THR A 9 -10.978 -9.531 7.238 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.565 -9.637 5.889 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.320 -8.810 7.268 1.00 19.70 C ATOM 0 H THR A 9 -9.538 -7.593 6.696 1.00 18.33 H new ATOM 0 HA THR A 9 -10.396 -8.700 9.177 1.00 19.24 H new ATOM 0 HB THR A 9 -11.074 -10.546 7.624 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.282 -10.044 5.358 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.005 -9.288 6.568 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.737 -8.858 8.274 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.179 -7.767 6.983 1.00 19.70 H new ATOM 161 N GLY A 10 -7.649 -9.466 8.204 1.00 19.43 N ATOM 162 CA GLY A 10 -6.548 -10.210 8.655 1.00 18.74 C ATOM 163 C GLY A 10 -5.826 -11.150 7.785 1.00 17.62 C ATOM 164 O GLY A 10 -5.059 -12.004 8.287 1.00 19.74 O ATOM 0 H GLY A 10 -7.412 -8.588 7.743 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.813 -9.492 9.018 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.889 -10.781 9.518 1.00 18.74 H new ATOM 168 N LYS A 11 -6.069 -11.055 6.482 1.00 13.56 N ATOM 169 CA LYS A 11 -5.254 -11.722 5.497 1.00 11.91 C ATOM 170 C LYS A 11 -4.001 -10.883 5.301 1.00 10.18 C ATOM 171 O LYS A 11 -4.058 -9.673 5.326 1.00 9.10 O ATOM 172 CB LYS A 11 -6.023 -11.812 4.143 1.00 13.43 C ATOM 173 CG LYS A 11 -5.223 -12.483 2.979 1.00 16.69 C ATOM 174 CD LYS A 11 -6.140 -12.875 1.816 1.00 17.92 C ATOM 175 CE LYS A 11 -6.527 -11.729 0.929 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.824 -11.953 0.197 1.00 21.93 N ATOM 0 H LYS A 11 -6.838 -10.512 6.089 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.007 -12.731 5.828 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.945 -12.371 4.301 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.309 -10.806 3.836 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.455 -11.797 2.622 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -4.710 -13.369 3.353 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -5.641 -13.634 1.214 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.045 -13.331 2.218 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.610 -10.824 1.531 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.733 -11.557 0.202 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.275 -11.037 0.001 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.636 -12.445 -0.700 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.458 -12.532 0.783 1.00 21.93 H new ATOM 190 N THR A 12 -2.766 -11.455 5.114 1.00 9.63 N ATOM 191 CA THR A 12 -1.621 -10.651 4.743 1.00 9.85 C ATOM 192 C THR A 12 -1.130 -11.055 3.376 1.00 11.66 C ATOM 193 O THR A 12 -0.725 -12.204 3.028 1.00 12.33 O ATOM 194 CB THR A 12 -0.452 -10.748 5.733 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.843 -10.203 6.991 1.00 10.91 O ATOM 196 CG2 THR A 12 0.574 -9.790 5.221 1.00 9.63 C ATOM 0 H THR A 12 -2.572 -12.451 5.219 1.00 9.63 H new ATOM 0 HA THR A 12 -1.966 -9.617 4.749 1.00 9.85 H new ATOM 0 HB THR A 12 -0.120 -11.781 5.833 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.096 -10.268 7.622 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.443 -9.802 5.878 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.875 -10.083 4.215 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.153 -8.785 5.196 1.00 9.63 H new ATOM 204 N ILE A 13 -1.287 -10.126 2.504 1.00 10.42 N ATOM 205 CA ILE A 13 -1.002 -10.235 1.063 1.00 11.84 C ATOM 206 C ILE A 13 0.513 -9.897 0.950 1.00 10.55 C ATOM 207 O ILE A 13 1.026 -8.958 1.578 1.00 11.92 O ATOM 208 CB ILE A 13 -1.878 -9.319 0.125 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.376 -9.477 0.449 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.643 -9.623 -1.362 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.172 -8.505 -0.285 1.00 16.46 C ATOM 0 H ILE A 13 -1.637 -9.203 2.761 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.259 -11.233 0.707 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.570 -8.291 0.315 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.702 -10.486 0.196 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.536 -9.350 1.520 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.267 -8.968 -1.970 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.594 -9.454 -1.607 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.901 -10.662 -1.566 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.226 -8.637 -0.039 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.859 -7.497 -0.011 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.028 -8.651 -1.356 1.00 16.46 H new ATOM 223 N THR A 14 1.217 -10.683 0.097 1.00 9.39 N ATOM 224 CA THR A 14 2.638 -10.571 -0.177 1.00 9.63 C ATOM 225 C THR A 14 2.746 -10.096 -1.615 1.00 11.20 C ATOM 226 O THR A 14 2.129 -10.673 -2.506 1.00 11.63 O ATOM 227 CB THR A 14 3.484 -11.822 0.015 1.00 10.38 C ATOM 228 OG1 THR A 14 3.425 -12.218 1.356 1.00 16.30 O ATOM 229 CG2 THR A 14 4.980 -11.670 -0.252 1.00 11.66 C ATOM 0 H THR A 14 0.776 -11.436 -0.430 1.00 9.39 H new ATOM 0 HA THR A 14 3.050 -9.885 0.563 1.00 9.63 H new ATOM 0 HB THR A 14 3.065 -12.523 -0.707 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.967 -13.024 1.483 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.479 -12.624 -0.083 1.00 11.66 H new ATOM 0 HG22 THR A 14 5.135 -11.357 -1.285 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.395 -10.920 0.421 1.00 11.66 H new ATOM 237 N LEU A 15 3.459 -9.062 -1.863 1.00 8.29 N ATOM 238 CA LEU A 15 3.672 -8.446 -3.185 1.00 9.03 C ATOM 239 C LEU A 15 5.104 -8.513 -3.559 1.00 8.59 C ATOM 240 O LEU A 15 5.943 -8.459 -2.705 1.00 7.79 O ATOM 241 CB LEU A 15 3.226 -6.961 -3.083 1.00 11.08 C ATOM 242 CG LEU A 15 1.727 -6.874 -2.902 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.337 -5.392 -2.833 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.816 -7.640 -3.878 1.00 15.27 C ATOM 0 H LEU A 15 3.956 -8.566 -1.123 1.00 8.29 H new ATOM 0 HA LEU A 15 3.098 -8.974 -3.947 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.729 -6.480 -2.244 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.522 -6.423 -3.983 1.00 11.08 H new ATOM 0 HG LEU A 15 1.537 -7.412 -1.973 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.258 -5.305 -2.702 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.844 -4.921 -1.990 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.632 -4.895 -3.757 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.227 -7.472 -3.610 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.991 -7.285 -4.894 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.038 -8.706 -3.823 1.00 15.27 H new ATOM 256 N GLU A 16 5.387 -8.529 -4.885 1.00 11.04 N ATOM 257 CA GLU A 16 6.707 -8.439 -5.410 1.00 11.50 C ATOM 258 C GLU A 16 6.934 -7.119 -6.149 1.00 10.13 C ATOM 259 O GLU A 16 6.155 -6.773 -7.048 1.00 9.83 O ATOM 260 CB GLU A 16 6.910 -9.600 -6.411 1.00 17.22 C ATOM 261 CG GLU A 16 8.395 -9.714 -6.854 1.00 23.33 C ATOM 262 CD GLU A 16 8.634 -11.017 -7.617 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.383 -12.117 -7.070 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.268 -10.971 -8.733 1.00 28.86 O ATOM 0 H GLU A 16 4.668 -8.607 -5.604 1.00 11.04 H new ATOM 0 HA GLU A 16 7.412 -8.492 -4.581 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.592 -10.537 -5.953 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.279 -9.443 -7.286 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.658 -8.864 -7.484 1.00 23.33 H new ATOM 0 HG3 GLU A 16 9.044 -9.675 -5.979 1.00 23.33 H new ATOM 271 N VAL A 17 7.816 -6.306 -5.529 1.00 8.99 N ATOM 272 CA VAL A 17 7.992 -4.947 -5.930 1.00 8.85 C ATOM 273 C VAL A 17 9.472 -4.584 -6.036 1.00 8.04 C ATOM 274 O VAL A 17 10.322 -5.184 -5.372 1.00 8.99 O ATOM 275 CB VAL A 17 7.322 -3.930 -4.925 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.834 -4.133 -4.856 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.932 -4.216 -3.573 1.00 10.54 C ATOM 0 H VAL A 17 8.406 -6.595 -4.749 1.00 8.99 H new ATOM 0 HA VAL A 17 7.508 -4.867 -6.903 1.00 8.85 H new ATOM 0 HB VAL A 17 7.493 -2.903 -5.248 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.401 -3.418 -4.156 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.400 -3.981 -5.844 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.620 -5.147 -4.518 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.506 -3.540 -2.831 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.720 -5.247 -3.289 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.011 -4.068 -3.622 1.00 10.54 H new ATOM 287 N GLU A 18 9.720 -3.514 -6.853 1.00 7.29 N ATOM 288 CA GLU A 18 10.999 -2.841 -6.991 1.00 7.08 C ATOM 289 C GLU A 18 11.072 -1.696 -6.093 1.00 6.45 C ATOM 290 O GLU A 18 10.080 -0.993 -6.015 1.00 5.28 O ATOM 291 CB GLU A 18 11.312 -2.321 -8.387 1.00 10.28 C ATOM 292 CG GLU A 18 11.256 -3.421 -9.547 1.00 12.65 C ATOM 293 CD GLU A 18 11.629 -2.797 -10.874 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.725 -2.080 -11.366 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.728 -2.996 -11.447 1.00 14.33 O ATOM 0 H GLU A 18 8.995 -3.103 -7.441 1.00 7.29 H new ATOM 0 HA GLU A 18 11.728 -3.615 -6.751 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.608 -1.525 -8.628 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.307 -1.875 -8.378 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.939 -4.239 -9.316 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.255 -3.848 -9.606 1.00 12.65 H new ATOM 302 N PRO A 19 12.115 -1.399 -5.237 1.00 7.24 N ATOM 303 CA PRO A 19 12.186 -0.195 -4.340 1.00 7.07 C ATOM 304 C PRO A 19 11.839 1.140 -5.056 1.00 6.65 C ATOM 305 O PRO A 19 11.319 2.042 -4.382 1.00 6.37 O ATOM 306 CB PRO A 19 13.591 -0.222 -3.815 1.00 7.61 C ATOM 307 CG PRO A 19 14.111 -1.674 -3.990 1.00 8.16 C ATOM 308 CD PRO A 19 13.298 -2.227 -5.208 1.00 7.49 C ATOM 0 HA PRO A 19 11.439 -0.240 -3.547 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.220 0.482 -4.360 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.617 0.073 -2.766 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.183 -1.693 -4.185 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.940 -2.269 -3.093 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.864 -2.148 -6.136 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.047 -3.279 -5.077 1.00 7.49 H new ATOM 316 N SER A 20 12.061 1.226 -6.368 1.00 6.80 N ATOM 317 CA SER A 20 11.699 2.393 -7.112 1.00 6.28 C ATOM 318 C SER A 20 10.245 2.411 -7.669 1.00 8.45 C ATOM 319 O SER A 20 9.818 3.302 -8.381 1.00 7.26 O ATOM 320 CB SER A 20 12.658 2.730 -8.355 1.00 8.57 C ATOM 321 OG SER A 20 12.932 1.502 -9.051 1.00 11.13 O ATOM 0 H SER A 20 12.493 0.488 -6.923 1.00 6.80 H new ATOM 0 HA SER A 20 11.805 3.149 -6.334 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.180 3.447 -9.022 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.585 3.186 -8.008 1.00 8.57 H new ATOM 0 HG SER A 20 13.516 1.683 -9.817 1.00 11.13 H new ATOM 327 N ASP A 21 9.307 1.401 -7.314 1.00 7.50 N ATOM 328 CA ASP A 21 7.869 1.408 -7.551 1.00 7.70 C ATOM 329 C ASP A 21 7.169 2.398 -6.619 1.00 7.08 C ATOM 330 O ASP A 21 7.526 2.595 -5.465 1.00 8.11 O ATOM 331 CB ASP A 21 7.191 0.030 -7.311 1.00 11.00 C ATOM 332 CG ASP A 21 7.743 -0.914 -8.353 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.015 -0.393 -9.503 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.770 -2.139 -8.112 1.00 14.36 O ATOM 0 H ASP A 21 9.606 0.550 -6.838 1.00 7.50 H new ATOM 0 HA ASP A 21 7.764 1.684 -8.600 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.403 -0.336 -6.306 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.108 0.112 -7.398 1.00 11.00 H new ATOM 339 N THR A 22 6.070 2.995 -7.108 1.00 5.37 N ATOM 340 CA THR A 22 5.263 3.935 -6.338 1.00 6.01 C ATOM 341 C THR A 22 4.150 3.282 -5.537 1.00 8.01 C ATOM 342 O THR A 22 3.750 2.150 -5.655 1.00 8.11 O ATOM 343 CB THR A 22 4.606 5.061 -7.220 1.00 8.92 C ATOM 344 OG1 THR A 22 3.629 4.565 -8.177 1.00 10.22 O ATOM 345 CG2 THR A 22 5.582 5.909 -8.051 1.00 9.65 C ATOM 0 H THR A 22 5.721 2.834 -8.053 1.00 5.37 H new ATOM 0 HA THR A 22 5.991 4.373 -5.654 1.00 6.01 H new ATOM 0 HB THR A 22 4.144 5.673 -6.446 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.038 3.868 -8.731 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.024 6.653 -8.620 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.284 6.412 -7.386 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.131 5.264 -8.737 1.00 9.65 H new ATOM 353 N ILE A 23 3.660 4.082 -4.542 1.00 8.32 N ATOM 354 CA ILE A 23 2.550 3.682 -3.716 1.00 9.92 C ATOM 355 C ILE A 23 1.294 3.436 -4.545 1.00 10.01 C ATOM 356 O ILE A 23 0.477 2.501 -4.349 1.00 8.71 O ATOM 357 CB ILE A 23 2.390 4.493 -2.499 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.553 4.244 -1.469 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.976 4.407 -1.827 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.506 2.906 -0.739 1.00 12.30 C ATOM 0 H ILE A 23 4.038 5.002 -4.317 1.00 8.32 H new ATOM 0 HA ILE A 23 2.786 2.706 -3.292 1.00 9.92 H new ATOM 0 HB ILE A 23 2.463 5.524 -2.844 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.504 4.318 -1.996 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.537 5.043 -0.728 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.956 5.038 -0.939 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.217 4.748 -2.531 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.770 3.375 -1.543 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.351 2.835 -0.054 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.575 2.831 -0.176 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.558 2.094 -1.464 1.00 12.30 H new ATOM 372 N GLU A 24 1.116 4.127 -5.661 1.00 9.54 N ATOM 373 CA GLU A 24 0.113 3.822 -6.707 1.00 11.81 C ATOM 374 C GLU A 24 0.332 2.447 -7.378 1.00 11.14 C ATOM 375 O GLU A 24 -0.683 1.733 -7.568 1.00 10.62 O ATOM 376 CB GLU A 24 0.036 4.984 -7.700 1.00 19.24 C ATOM 377 CG GLU A 24 -1.020 4.875 -8.774 1.00 27.76 C ATOM 378 CD GLU A 24 -1.212 6.142 -9.588 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.201 6.807 -9.936 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.344 6.502 -9.877 1.00 36.51 O ATOM 0 H GLU A 24 1.679 4.948 -5.885 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.862 3.726 -6.229 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.139 5.902 -7.140 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.007 5.086 -8.184 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.754 4.060 -9.448 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.969 4.608 -8.309 1.00 27.76 H new ATOM 387 N ASN A 25 1.552 1.942 -7.642 1.00 9.43 N ATOM 388 CA ASN A 25 1.830 0.654 -8.193 1.00 10.96 C ATOM 389 C ASN A 25 1.509 -0.419 -7.190 1.00 9.68 C ATOM 390 O ASN A 25 0.960 -1.436 -7.522 1.00 9.33 O ATOM 391 CB ASN A 25 3.324 0.508 -8.626 1.00 16.78 C ATOM 392 CG ASN A 25 3.740 1.508 -9.696 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.775 2.167 -9.520 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.067 1.643 -10.867 1.00 24.70 N ATOM 0 H ASN A 25 2.402 2.474 -7.456 1.00 9.43 H new ATOM 0 HA ASN A 25 1.204 0.546 -9.079 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.963 0.635 -7.752 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.490 -0.503 -8.999 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.415 2.279 -11.585 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.213 1.109 -11.029 1.00 24.70 H new ATOM 401 N VAL A 26 1.723 -0.117 -5.919 1.00 6.52 N ATOM 402 CA VAL A 26 1.245 -0.906 -4.835 1.00 5.53 C ATOM 403 C VAL A 26 -0.256 -1.021 -4.722 1.00 4.42 C ATOM 404 O VAL A 26 -0.810 -2.099 -4.451 1.00 3.40 O ATOM 405 CB VAL A 26 1.910 -0.493 -3.500 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.507 -1.520 -2.410 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.406 -0.594 -3.631 1.00 8.12 C ATOM 0 H VAL A 26 2.248 0.706 -5.624 1.00 6.52 H new ATOM 0 HA VAL A 26 1.557 -1.922 -5.075 1.00 5.53 H new ATOM 0 HB VAL A 26 1.600 0.521 -3.249 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.968 -1.244 -1.462 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.423 -1.526 -2.299 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.847 -2.513 -2.703 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.874 -0.303 -2.691 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.682 -1.621 -3.871 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.747 0.069 -4.426 1.00 8.12 H new ATOM 417 N LYS A 27 -0.955 0.090 -4.947 1.00 2.64 N ATOM 418 CA LYS A 27 -2.428 0.083 -5.076 1.00 4.14 C ATOM 419 C LYS A 27 -3.075 -0.546 -6.310 1.00 5.58 C ATOM 420 O LYS A 27 -4.109 -1.196 -6.231 1.00 4.11 O ATOM 421 CB LYS A 27 -3.066 1.479 -4.816 1.00 3.97 C ATOM 422 CG LYS A 27 -2.633 2.120 -3.480 1.00 7.45 C ATOM 423 CD LYS A 27 -3.304 3.447 -3.190 1.00 9.02 C ATOM 424 CE LYS A 27 -2.925 4.052 -1.853 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.359 5.397 -1.770 1.00 15.47 N ATOM 0 H LYS A 27 -0.532 1.013 -5.045 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.663 -0.623 -4.279 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.799 2.149 -5.634 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.151 1.380 -4.827 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.853 1.427 -2.668 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.553 2.265 -3.491 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.049 4.152 -3.981 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.385 3.310 -3.222 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.371 3.471 -1.046 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.844 4.005 -1.720 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.722 5.929 -1.143 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.348 5.824 -2.718 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.326 5.427 -1.388 1.00 15.47 H new ATOM 439 N ALA A 28 -2.428 -0.560 -7.435 1.00 6.61 N ATOM 440 CA ALA A 28 -2.814 -1.436 -8.560 1.00 7.74 C ATOM 441 C ALA A 28 -2.760 -2.921 -8.293 1.00 9.17 C ATOM 442 O ALA A 28 -3.672 -3.654 -8.680 1.00 11.45 O ATOM 443 CB ALA A 28 -1.874 -1.060 -9.771 1.00 7.68 C ATOM 0 H ALA A 28 -1.615 0.025 -7.625 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.870 -1.256 -8.763 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.121 -1.683 -10.631 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.017 -0.011 -10.030 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.834 -1.226 -9.490 1.00 7.68 H new ATOM 449 N LYS A 29 -1.756 -3.407 -7.541 1.00 8.96 N ATOM 450 CA LYS A 29 -1.620 -4.809 -7.259 1.00 7.90 C ATOM 451 C LYS A 29 -2.711 -5.308 -6.313 1.00 6.92 C ATOM 452 O LYS A 29 -3.296 -6.415 -6.382 1.00 6.87 O ATOM 453 CB LYS A 29 -0.294 -4.989 -6.547 1.00 10.28 C ATOM 454 CG LYS A 29 0.828 -4.999 -7.632 1.00 14.94 C ATOM 455 CD LYS A 29 2.222 -5.143 -6.961 1.00 19.69 C ATOM 456 CE LYS A 29 3.444 -4.990 -7.926 1.00 22.63 C ATOM 457 NZ LYS A 29 3.554 -6.248 -8.683 1.00 24.98 N ATOM 0 H LYS A 29 -1.030 -2.825 -7.123 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.689 -5.365 -8.194 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.130 -4.181 -5.834 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.287 -5.920 -5.981 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.664 -5.822 -8.327 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.790 -4.078 -8.214 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.307 -4.396 -6.172 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.278 -6.120 -6.482 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.300 -4.146 -8.600 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.358 -4.797 -7.364 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.393 -6.773 -8.363 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.703 -6.824 -8.524 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.644 -6.036 -9.697 1.00 24.98 H new ATOM 471 N ILE A 30 -3.135 -4.442 -5.378 1.00 4.57 N ATOM 472 CA ILE A 30 -4.181 -4.651 -4.378 1.00 5.58 C ATOM 473 C ILE A 30 -5.525 -4.542 -5.123 1.00 7.26 C ATOM 474 O ILE A 30 -6.483 -5.219 -4.883 1.00 9.46 O ATOM 475 CB ILE A 30 -3.987 -3.639 -3.169 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.664 -3.832 -2.365 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.178 -3.745 -2.277 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.470 -5.154 -1.561 1.00 2.00 C ATOM 0 H ILE A 30 -2.723 -3.512 -5.300 1.00 4.57 H new ATOM 0 HA ILE A 30 -4.141 -5.634 -3.908 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.900 -2.638 -3.593 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.834 -3.745 -3.066 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.577 -3.002 -1.664 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.067 -3.058 -1.438 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.077 -3.490 -2.838 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.262 -4.765 -1.902 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.503 -5.135 -1.058 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.263 -5.248 -0.819 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.508 -6.003 -2.243 1.00 2.00 H new ATOM 490 N GLN A 31 -5.687 -3.619 -6.096 1.00 7.06 N ATOM 491 CA GLN A 31 -6.900 -3.662 -6.914 1.00 8.67 C ATOM 492 C GLN A 31 -6.986 -4.875 -7.851 1.00 10.90 C ATOM 493 O GLN A 31 -8.055 -5.523 -7.814 1.00 9.63 O ATOM 494 CB GLN A 31 -7.007 -2.391 -7.733 1.00 9.12 C ATOM 495 CG GLN A 31 -8.344 -2.176 -8.575 1.00 10.76 C ATOM 496 CD GLN A 31 -8.610 -2.901 -9.882 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.622 -3.146 -10.592 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.833 -3.252 -10.205 1.00 14.76 N ATOM 0 H GLN A 31 -5.027 -2.875 -6.321 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.730 -3.754 -6.214 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.894 -1.543 -7.057 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.165 -2.363 -8.424 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -9.173 -2.417 -7.910 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.408 -1.110 -8.791 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.610 -3.025 -9.584 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -10.007 -3.752 -11.077 1.00 14.76 H new ATOM 507 N ASP A 32 -5.952 -5.249 -8.519 1.00 10.93 N ATOM 508 CA ASP A 32 -5.890 -6.509 -9.212 1.00 14.01 C ATOM 509 C ASP A 32 -6.074 -7.784 -8.343 1.00 14.04 C ATOM 510 O ASP A 32 -6.766 -8.654 -8.747 1.00 13.39 O ATOM 511 CB ASP A 32 -4.561 -6.553 -9.997 1.00 18.01 C ATOM 512 CG ASP A 32 -4.513 -7.662 -10.996 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.368 -7.771 -11.925 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.549 -8.427 -10.943 1.00 26.29 O ATOM 0 H ASP A 32 -5.106 -4.686 -8.607 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.757 -6.542 -9.872 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.416 -5.602 -10.510 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.734 -6.666 -9.296 1.00 18.01 H new ATOM 519 N LYS A 33 -5.512 -7.902 -7.112 1.00 14.22 N ATOM 520 CA LYS A 33 -5.826 -9.006 -6.211 1.00 14.00 C ATOM 521 C LYS A 33 -7.273 -8.920 -5.612 1.00 12.37 C ATOM 522 O LYS A 33 -8.056 -9.814 -5.795 1.00 12.17 O ATOM 523 CB LYS A 33 -4.889 -9.041 -4.964 1.00 18.62 C ATOM 524 CG LYS A 33 -3.387 -9.389 -5.203 1.00 24.00 C ATOM 525 CD LYS A 33 -3.139 -10.919 -5.288 1.00 27.61 C ATOM 526 CE LYS A 33 -1.769 -11.268 -5.832 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.783 -12.737 -6.156 1.00 30.06 N ATOM 0 H LYS A 33 -4.839 -7.236 -6.734 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.707 -9.888 -6.841 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.936 -8.065 -4.480 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.294 -9.766 -4.258 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.050 -8.918 -6.126 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.787 -8.971 -4.395 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.251 -11.355 -4.295 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.902 -11.370 -5.923 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.547 -10.679 -6.722 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.995 -11.043 -5.099 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.856 -13.018 -6.534 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.984 -13.281 -5.293 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.519 -12.929 -6.865 1.00 30.06 H new ATOM 541 N GLU A 34 -7.592 -7.855 -4.923 1.00 10.11 N ATOM 542 CA GLU A 34 -8.702 -7.731 -3.961 1.00 10.07 C ATOM 543 C GLU A 34 -9.863 -6.829 -4.428 1.00 9.32 C ATOM 544 O GLU A 34 -10.919 -6.790 -3.771 1.00 11.61 O ATOM 545 CB GLU A 34 -8.243 -7.157 -2.615 1.00 14.77 C ATOM 546 CG GLU A 34 -7.041 -7.924 -1.980 1.00 18.75 C ATOM 547 CD GLU A 34 -7.445 -9.309 -1.585 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.301 -9.487 -0.704 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.024 -10.300 -2.230 1.00 25.19 O ATOM 0 H GLU A 34 -7.063 -6.988 -5.010 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.054 -8.759 -3.870 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.964 -6.112 -2.752 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.081 -7.174 -1.919 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.216 -7.970 -2.691 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.679 -7.383 -1.106 1.00 18.75 H new ATOM 556 N GLY A 35 -9.759 -6.274 -5.667 1.00 7.22 N ATOM 557 CA GLY A 35 -10.798 -5.445 -6.221 1.00 6.29 C ATOM 558 C GLY A 35 -11.147 -4.151 -5.550 1.00 6.93 C ATOM 559 O GLY A 35 -12.253 -3.612 -5.656 1.00 7.41 O ATOM 0 H GLY A 35 -8.954 -6.403 -6.280 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.519 -5.215 -7.249 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.707 -6.046 -6.265 1.00 6.29 H new ATOM 563 N ILE A 36 -10.171 -3.577 -4.878 1.00 5.86 N ATOM 564 CA ILE A 36 -10.269 -2.293 -4.094 1.00 6.07 C ATOM 565 C ILE A 36 -9.828 -1.096 -4.917 1.00 6.36 C ATOM 566 O ILE A 36 -8.638 -1.115 -5.329 1.00 6.18 O ATOM 567 CB ILE A 36 -9.442 -2.289 -2.830 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.653 -3.653 -2.105 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.912 -1.132 -1.932 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.860 -3.802 -0.771 1.00 9.49 C ATOM 0 H ILE A 36 -9.236 -3.983 -4.841 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.324 -2.222 -3.831 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.384 -2.155 -3.057 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.716 -3.780 -1.898 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.361 -4.458 -2.779 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.322 -1.119 -1.016 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.784 -0.187 -2.459 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.964 -1.269 -1.683 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.064 -4.779 -0.333 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.792 -3.710 -0.970 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.168 -3.021 -0.075 1.00 9.49 H new ATOM 582 N PRO A 37 -10.592 -0.061 -5.192 1.00 8.65 N ATOM 583 CA PRO A 37 -10.221 1.086 -5.958 1.00 9.18 C ATOM 584 C PRO A 37 -8.951 1.771 -5.455 1.00 9.85 C ATOM 585 O PRO A 37 -8.895 1.898 -4.232 1.00 8.51 O ATOM 586 CB PRO A 37 -11.511 2.008 -5.828 1.00 11.42 C ATOM 587 CG PRO A 37 -12.659 1.076 -5.767 1.00 9.27 C ATOM 588 CD PRO A 37 -12.063 -0.185 -5.108 1.00 8.33 C ATOM 0 HA PRO A 37 -9.961 0.842 -6.988 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.461 2.628 -4.933 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.598 2.683 -6.679 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.479 1.487 -5.178 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.055 0.861 -6.760 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.385 -0.266 -4.070 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.404 -1.085 -5.619 1.00 8.33 H new ATOM 596 N PRO A 38 -7.995 2.221 -6.223 1.00 8.71 N ATOM 597 CA PRO A 38 -6.842 2.914 -5.666 1.00 9.08 C ATOM 598 C PRO A 38 -7.259 4.200 -4.962 1.00 9.28 C ATOM 599 O PRO A 38 -6.638 4.552 -3.940 1.00 6.50 O ATOM 600 CB PRO A 38 -5.971 3.157 -6.881 1.00 10.31 C ATOM 601 CG PRO A 38 -6.183 1.887 -7.683 1.00 10.81 C ATOM 602 CD PRO A 38 -7.654 1.505 -7.473 1.00 12.00 C ATOM 0 HA PRO A 38 -6.318 2.350 -4.894 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.280 4.044 -7.433 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.925 3.298 -6.611 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.968 2.050 -8.739 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.519 1.093 -7.341 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.279 1.824 -8.307 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.783 0.427 -7.372 1.00 12.00 H new ATOM 610 N ASP A 39 -8.346 4.827 -5.429 1.00 11.20 N ATOM 611 CA ASP A 39 -8.982 5.928 -4.796 1.00 14.96 C ATOM 612 C ASP A 39 -9.453 5.652 -3.397 1.00 13.99 C ATOM 613 O ASP A 39 -9.291 6.421 -2.447 1.00 13.75 O ATOM 614 CB ASP A 39 -10.144 6.393 -5.610 1.00 24.16 C ATOM 615 CG ASP A 39 -9.694 6.757 -6.984 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.167 7.887 -7.219 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.833 5.921 -7.927 1.00 34.22 O ATOM 0 H ASP A 39 -8.805 4.549 -6.296 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.215 6.699 -4.725 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.899 5.608 -5.662 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.612 7.254 -5.132 1.00 24.16 H new ATOM 622 N GLN A 40 -10.044 4.399 -3.195 1.00 11.60 N ATOM 623 CA GLN A 40 -10.463 3.862 -1.920 1.00 10.76 C ATOM 624 C GLN A 40 -9.366 3.381 -0.937 1.00 8.01 C ATOM 625 O GLN A 40 -9.467 3.461 0.249 1.00 8.96 O ATOM 626 CB GLN A 40 -11.488 2.663 -2.187 1.00 11.14 C ATOM 627 CG GLN A 40 -12.257 2.136 -0.939 1.00 14.85 C ATOM 628 CD GLN A 40 -13.483 1.191 -1.205 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.430 0.039 -0.795 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.449 1.718 -1.988 1.00 18.16 N ATOM 0 H GLN A 40 -10.224 3.758 -3.967 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.906 4.715 -1.406 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.217 2.992 -2.927 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.938 1.832 -2.629 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.549 1.602 -0.305 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.609 2.996 -0.370 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.397 2.696 -2.274 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.231 1.138 -2.293 1.00 18.16 H new ATOM 639 N GLN A 41 -8.249 2.927 -1.430 1.00 6.52 N ATOM 640 CA GLN A 41 -7.148 2.535 -0.582 1.00 3.87 C ATOM 641 C GLN A 41 -6.458 3.751 0.041 1.00 4.79 C ATOM 642 O GLN A 41 -5.822 4.534 -0.598 1.00 6.34 O ATOM 643 CB GLN A 41 -6.118 1.647 -1.280 1.00 4.20 C ATOM 644 CG GLN A 41 -6.712 0.351 -1.961 1.00 3.20 C ATOM 645 CD GLN A 41 -5.712 -0.433 -2.843 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.518 -0.602 -2.465 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.120 -0.864 -4.090 1.00 7.13 N ATOM 0 H GLN A 41 -8.071 2.816 -2.428 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.597 1.933 0.208 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.606 2.237 -2.040 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.366 1.345 -0.551 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.086 -0.313 -1.182 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.567 0.638 -2.573 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.086 -0.724 -4.387 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.456 -1.323 -4.714 1.00 7.13 H new ATOM 656 N ARG A 42 -6.528 3.902 1.408 1.00 5.73 N ATOM 657 CA ARG A 42 -5.434 4.545 2.098 1.00 6.97 C ATOM 658 C ARG A 42 -4.369 3.527 2.435 1.00 7.15 C ATOM 659 O ARG A 42 -4.664 2.343 2.364 1.00 7.33 O ATOM 660 CB ARG A 42 -6.053 5.265 3.327 1.00 13.23 C ATOM 661 CG ARG A 42 -6.990 6.480 2.957 1.00 21.27 C ATOM 662 CD ARG A 42 -7.686 7.034 4.225 1.00 26.14 C ATOM 663 NE ARG A 42 -8.230 8.400 3.831 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.026 9.079 4.632 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.455 8.536 5.742 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.283 10.381 4.447 1.00 36.39 N ATOM 0 H ARG A 42 -7.302 3.594 1.997 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.921 5.289 1.488 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.626 4.542 3.908 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.248 5.623 3.969 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.404 7.268 2.483 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.740 6.161 2.233 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.488 6.372 4.552 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.983 7.117 5.054 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.973 8.798 2.928 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.173 7.587 5.988 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.071 9.062 6.362 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.857 10.879 3.665 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.905 10.874 5.088 1.00 36.39 H new ATOM 680 N LEU A 43 -3.123 3.974 2.753 1.00 4.65 N ATOM 681 CA LEU A 43 -2.060 2.978 3.055 1.00 3.51 C ATOM 682 C LEU A 43 -1.244 3.464 4.244 1.00 5.56 C ATOM 683 O LEU A 43 -0.924 4.640 4.327 1.00 4.19 O ATOM 684 CB LEU A 43 -1.083 2.668 1.848 1.00 3.74 C ATOM 685 CG LEU A 43 -1.426 1.287 1.273 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.614 1.078 -0.043 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.166 0.141 2.298 1.00 6.41 C ATOM 0 H LEU A 43 -2.841 4.953 2.805 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.577 2.043 3.272 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.182 3.432 1.077 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.047 2.689 2.187 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.493 1.251 1.052 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.848 0.100 -0.463 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.879 1.854 -0.761 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.453 1.134 0.175 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.423 -0.817 1.846 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.113 0.138 2.581 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.779 0.300 3.185 1.00 6.41 H new ATOM 699 N ILE A 44 -0.908 2.618 5.249 1.00 4.58 N ATOM 700 CA ILE A 44 -0.130 3.021 6.423 1.00 5.55 C ATOM 701 C ILE A 44 1.174 2.201 6.488 1.00 5.46 C ATOM 702 O ILE A 44 1.201 1.026 6.269 1.00 6.04 O ATOM 703 CB ILE A 44 -0.983 3.005 7.735 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.104 4.066 7.779 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.175 3.003 9.017 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.004 3.916 8.980 1.00 13.90 C ATOM 0 H ILE A 44 -1.176 1.634 5.258 1.00 4.58 H new ATOM 0 HA ILE A 44 0.164 4.066 6.322 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.475 2.034 7.685 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.657 5.060 7.788 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.702 3.993 6.871 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.850 2.992 9.873 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.461 2.118 9.045 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.446 3.898 9.057 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.773 4.689 8.958 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.476 2.934 8.960 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.415 4.017 9.891 1.00 13.90 H new ATOM 718 N PHE A 45 2.237 2.899 6.892 1.00 6.75 N ATOM 719 CA PHE A 45 3.526 2.338 7.183 1.00 4.70 C ATOM 720 C PHE A 45 4.019 3.098 8.426 1.00 6.34 C ATOM 721 O PHE A 45 3.984 4.309 8.378 1.00 5.45 O ATOM 722 CB PHE A 45 4.610 2.609 6.038 1.00 5.51 C ATOM 723 CG PHE A 45 5.981 1.949 6.242 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.057 0.609 6.707 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.176 2.615 5.956 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.290 0.004 6.976 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.426 2.061 6.344 1.00 6.64 C ATOM 728 CZ PHE A 45 8.459 0.750 6.808 1.00 6.84 C ATOM 0 H PHE A 45 2.206 3.910 7.026 1.00 6.75 H new ATOM 0 HA PHE A 45 3.423 1.259 7.296 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.200 2.265 5.088 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.756 3.686 5.951 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.147 0.047 6.856 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.149 3.560 5.435 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.337 -1.023 7.308 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.332 2.646 6.280 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.411 0.298 7.044 1.00 6.84 H new ATOM 738 N ALA A 46 4.464 2.345 9.473 1.00 6.53 N ATOM 739 CA ALA A 46 5.189 2.968 10.648 1.00 7.15 C ATOM 740 C ALA A 46 4.457 4.114 11.279 1.00 9.00 C ATOM 741 O ALA A 46 5.005 5.176 11.535 1.00 11.15 O ATOM 742 CB ALA A 46 6.592 3.391 10.238 1.00 8.99 C ATOM 0 H ALA A 46 4.344 1.334 9.539 1.00 6.53 H new ATOM 0 HA ALA A 46 5.244 2.194 11.414 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.102 3.837 11.092 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.150 2.519 9.897 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.531 4.120 9.430 1.00 8.99 H new ATOM 748 N GLY A 47 3.158 3.939 11.557 1.00 9.35 N ATOM 749 CA GLY A 47 2.275 4.895 12.181 1.00 11.68 C ATOM 750 C GLY A 47 1.772 6.058 11.343 1.00 11.14 C ATOM 751 O GLY A 47 1.105 6.923 11.921 1.00 13.93 O ATOM 0 H GLY A 47 2.680 3.066 11.332 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.406 4.352 12.554 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.790 5.307 13.049 1.00 11.68 H new ATOM 755 N LYS A 48 1.953 6.105 10.002 1.00 10.47 N ATOM 756 CA LYS A 48 1.614 7.248 9.223 1.00 8.82 C ATOM 757 C LYS A 48 1.152 6.850 7.890 1.00 7.68 C ATOM 758 O LYS A 48 1.421 5.725 7.359 1.00 6.47 O ATOM 759 CB LYS A 48 2.773 8.267 9.196 1.00 9.74 C ATOM 760 CG LYS A 48 3.944 7.762 8.358 1.00 14.14 C ATOM 761 CD LYS A 48 4.978 8.889 8.194 1.00 16.32 C ATOM 762 CE LYS A 48 6.177 8.466 7.420 1.00 20.04 C ATOM 763 NZ LYS A 48 7.116 9.579 7.327 1.00 23.92 N ATOM 0 H LYS A 48 2.341 5.334 9.459 1.00 10.47 H new ATOM 0 HA LYS A 48 0.777 7.762 9.695 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.416 9.214 8.791 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.111 8.462 10.214 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.404 6.899 8.839 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.591 7.432 7.381 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.509 9.736 7.693 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.291 9.234 9.179 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.654 7.614 7.905 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.882 8.141 6.422 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.953 9.283 6.786 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.659 10.380 6.846 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.406 9.869 8.283 1.00 23.92 H new ATOM 777 N GLN A 49 0.362 7.687 7.254 1.00 8.89 N ATOM 778 CA GLN A 49 -0.285 7.529 5.964 1.00 7.18 C ATOM 779 C GLN A 49 0.629 8.020 4.815 1.00 8.23 C ATOM 780 O GLN A 49 1.609 8.755 5.031 1.00 9.70 O ATOM 781 CB GLN A 49 -1.605 8.397 5.884 1.00 11.67 C ATOM 782 CG GLN A 49 -2.754 7.823 6.792 1.00 15.82 C ATOM 783 CD GLN A 49 -4.102 8.310 6.406 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.573 8.129 5.275 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.817 9.029 7.296 1.00 20.67 N ATOM 0 H GLN A 49 0.131 8.590 7.669 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.505 6.466 5.860 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.383 9.420 6.187 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.948 8.438 4.850 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.739 6.734 6.741 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.559 8.096 7.829 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.449 9.191 8.234 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.725 9.410 7.031 1.00 20.67 H new ATOM 794 N LEU A 50 0.432 7.571 3.552 1.00 6.51 N ATOM 795 CA LEU A 50 1.448 7.602 2.519 1.00 7.41 C ATOM 796 C LEU A 50 0.776 8.235 1.363 1.00 8.27 C ATOM 797 O LEU A 50 -0.430 8.102 1.249 1.00 8.34 O ATOM 798 CB LEU A 50 1.969 6.156 2.144 1.00 7.13 C ATOM 799 CG LEU A 50 2.661 5.419 3.269 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.112 4.011 2.866 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.813 6.110 3.959 1.00 9.11 C ATOM 0 H LEU A 50 -0.454 7.176 3.237 1.00 6.51 H new ATOM 0 HA LEU A 50 2.334 8.146 2.847 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.124 5.558 1.803 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.660 6.240 1.305 1.00 7.13 H new ATOM 0 HG LEU A 50 1.858 5.384 4.005 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.602 3.530 3.712 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.245 3.423 2.566 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.811 4.078 2.032 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.209 5.463 4.742 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.597 6.323 3.233 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.465 7.044 4.401 1.00 9.11 H new ATOM 813 N GLU A 51 1.468 8.912 0.438 1.00 9.43 N ATOM 814 CA GLU A 51 0.894 9.597 -0.708 1.00 11.90 C ATOM 815 C GLU A 51 1.284 8.738 -1.956 1.00 11.49 C ATOM 816 O GLU A 51 2.362 8.186 -2.024 1.00 9.88 O ATOM 817 CB GLU A 51 1.334 11.071 -0.769 1.00 16.56 C ATOM 818 CG GLU A 51 0.793 11.850 0.423 1.00 26.06 C ATOM 819 CD GLU A 51 1.025 13.352 0.425 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.408 14.110 -0.384 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.797 13.883 1.280 1.00 33.44 O ATOM 0 H GLU A 51 2.484 8.996 0.477 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.192 9.671 -0.651 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.422 11.129 -0.783 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.979 11.523 -1.695 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.281 11.672 0.485 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.238 11.437 1.328 1.00 26.06 H new ATOM 828 N ASP A 52 0.346 8.623 -2.885 1.00 12.71 N ATOM 829 CA ASP A 52 0.319 7.707 -3.955 1.00 16.56 C ATOM 830 C ASP A 52 1.473 7.695 -4.922 1.00 15.83 C ATOM 831 O ASP A 52 1.949 6.646 -5.322 1.00 17.21 O ATOM 832 CB ASP A 52 -0.904 8.065 -4.790 1.00 21.05 C ATOM 833 CG ASP A 52 -2.254 7.944 -4.080 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.740 6.746 -3.959 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.969 8.947 -3.824 1.00 28.37 O ATOM 0 H ASP A 52 -0.473 9.231 -2.886 1.00 12.71 H new ATOM 0 HA ASP A 52 0.338 6.729 -3.475 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.792 9.090 -5.144 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.919 7.423 -5.671 1.00 21.05 H new ATOM 840 N GLY A 53 1.989 8.888 -5.259 1.00 15.00 N ATOM 841 CA GLY A 53 3.043 9.126 -6.283 1.00 11.77 C ATOM 842 C GLY A 53 4.470 8.951 -5.785 1.00 11.10 C ATOM 843 O GLY A 53 5.435 9.031 -6.545 1.00 11.25 O ATOM 0 H GLY A 53 1.678 9.752 -4.814 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.879 8.445 -7.118 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.930 10.138 -6.671 1.00 11.77 H new ATOM 847 N ARG A 54 4.660 8.710 -4.543 1.00 8.53 N ATOM 848 CA ARG A 54 5.970 8.493 -3.974 1.00 9.05 C ATOM 849 C ARG A 54 6.397 7.102 -4.035 1.00 8.96 C ATOM 850 O ARG A 54 5.608 6.160 -3.960 1.00 11.60 O ATOM 851 CB ARG A 54 6.032 8.825 -2.485 1.00 7.97 C ATOM 852 CG ARG A 54 5.905 10.365 -2.112 1.00 9.62 C ATOM 853 CD ARG A 54 7.062 11.203 -2.610 1.00 12.20 C ATOM 854 NE ARG A 54 6.836 12.586 -2.059 1.00 18.23 N ATOM 855 CZ ARG A 54 7.634 13.229 -1.218 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.683 12.685 -0.617 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.372 14.494 -0.909 1.00 23.38 N ATOM 0 H ARG A 54 3.902 8.653 -3.863 1.00 8.53 H new ATOM 0 HA ARG A 54 6.606 9.145 -4.573 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.235 8.281 -1.978 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.976 8.451 -2.088 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.977 10.756 -2.529 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.835 10.464 -1.029 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.014 10.797 -2.268 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.094 11.217 -3.699 1.00 12.20 H new ATOM 0 HE ARG A 54 5.992 13.073 -2.360 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.921 11.708 -0.791 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.252 13.243 0.019 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.563 14.962 -1.318 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.980 14.998 -0.263 1.00 23.38 H new ATOM 871 N THR A 55 7.667 6.874 -4.200 1.00 9.05 N ATOM 872 CA THR A 55 8.219 5.521 -4.272 1.00 9.03 C ATOM 873 C THR A 55 8.514 4.860 -2.913 1.00 8.15 C ATOM 874 O THR A 55 8.800 5.477 -1.876 1.00 5.91 O ATOM 875 CB THR A 55 9.479 5.369 -5.155 1.00 11.15 C ATOM 876 OG1 THR A 55 10.626 6.084 -4.661 1.00 11.95 O ATOM 877 CG2 THR A 55 9.205 5.908 -6.552 1.00 11.71 C ATOM 0 H THR A 55 8.365 7.612 -4.290 1.00 9.05 H new ATOM 0 HA THR A 55 7.390 4.997 -4.747 1.00 9.03 H new ATOM 0 HB THR A 55 9.701 4.302 -5.151 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.385 5.943 -5.265 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.098 5.797 -7.167 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.383 5.351 -7.002 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.937 6.963 -6.489 1.00 11.71 H new ATOM 885 N LEU A 56 8.611 3.515 -2.862 1.00 6.91 N ATOM 886 CA LEU A 56 9.018 2.751 -1.665 1.00 8.29 C ATOM 887 C LEU A 56 10.314 3.236 -1.028 1.00 8.05 C ATOM 888 O LEU A 56 10.446 3.381 0.187 1.00 10.17 O ATOM 889 CB LEU A 56 9.080 1.255 -2.073 1.00 6.60 C ATOM 890 CG LEU A 56 7.747 0.558 -2.416 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.786 -0.325 -3.658 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.165 -0.322 -1.251 1.00 8.64 C ATOM 0 H LEU A 56 8.405 2.920 -3.665 1.00 6.91 H new ATOM 0 HA LEU A 56 8.279 2.905 -0.878 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.738 1.168 -2.938 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.549 0.703 -1.259 1.00 6.60 H new ATOM 0 HG LEU A 56 7.100 1.415 -2.602 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.805 -0.771 -3.818 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.056 0.278 -4.525 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.525 -1.114 -3.520 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.228 -0.777 -1.572 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.879 -1.104 -0.994 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.984 0.304 -0.378 1.00 8.64 H new ATOM 904 N SER A 57 11.364 3.504 -1.868 1.00 8.92 N ATOM 905 CA SER A 57 12.641 4.000 -1.413 1.00 9.00 C ATOM 906 C SER A 57 12.583 5.332 -0.732 1.00 9.44 C ATOM 907 O SER A 57 13.340 5.544 0.217 1.00 10.91 O ATOM 908 CB SER A 57 13.743 4.018 -2.548 1.00 10.32 C ATOM 909 OG SER A 57 14.964 4.443 -1.885 1.00 13.59 O ATOM 0 H SER A 57 11.315 3.371 -2.878 1.00 8.92 H new ATOM 0 HA SER A 57 12.937 3.272 -0.658 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.862 3.032 -2.998 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.471 4.704 -3.350 1.00 10.32 H new ATOM 0 HG SER A 57 15.696 4.475 -2.536 1.00 13.59 H new ATOM 915 N ASP A 58 11.716 6.223 -1.295 1.00 9.11 N ATOM 916 CA ASP A 58 11.498 7.537 -0.733 1.00 7.91 C ATOM 917 C ASP A 58 10.916 7.408 0.705 1.00 9.12 C ATOM 918 O ASP A 58 11.417 7.991 1.679 1.00 8.61 O ATOM 919 CB ASP A 58 10.538 8.294 -1.670 1.00 8.41 C ATOM 920 CG ASP A 58 10.313 9.743 -1.333 1.00 11.50 C ATOM 921 OD1 ASP A 58 9.789 10.140 -0.303 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.718 10.630 -2.187 1.00 11.70 O ATOM 0 H ASP A 58 11.171 6.031 -2.135 1.00 9.11 H new ATOM 0 HA ASP A 58 12.434 8.090 -0.652 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.926 8.231 -2.687 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.575 7.784 -1.664 1.00 8.41 H new ATOM 927 N TYR A 59 9.903 6.591 0.895 1.00 7.97 N ATOM 928 CA TYR A 59 9.365 6.391 2.207 1.00 8.45 C ATOM 929 C TYR A 59 10.202 5.477 3.139 1.00 10.98 C ATOM 930 O TYR A 59 9.795 5.274 4.291 1.00 12.95 O ATOM 931 CB TYR A 59 7.902 5.907 2.148 1.00 7.94 C ATOM 932 CG TYR A 59 6.900 7.021 1.879 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.806 8.126 2.816 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.018 6.946 0.912 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.851 9.131 2.658 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.994 7.975 0.735 1.00 6.52 C ATOM 937 CZ TYR A 59 4.945 8.983 1.652 1.00 6.76 C ATOM 938 OH TYR A 59 3.914 9.959 1.593 1.00 7.63 O ATOM 0 H TYR A 59 9.442 6.060 0.156 1.00 7.97 H new ATOM 0 HA TYR A 59 9.408 7.379 2.664 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.810 5.151 1.368 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.650 5.424 3.092 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.489 8.171 3.652 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.048 6.107 0.232 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.831 9.993 3.308 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.301 7.938 -0.093 1.00 6.52 H new ATOM 0 HH TYR A 59 3.955 10.426 0.733 1.00 7.63 H new ATOM 948 N ASN A 60 11.316 4.920 2.663 1.00 12.38 N ATOM 949 CA ASN A 60 12.154 3.936 3.370 1.00 13.94 C ATOM 950 C ASN A 60 11.413 2.622 3.669 1.00 14.16 C ATOM 951 O ASN A 60 11.497 1.993 4.751 1.00 14.26 O ATOM 952 CB ASN A 60 12.745 4.489 4.731 1.00 19.23 C ATOM 953 CG ASN A 60 13.770 5.625 4.427 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.654 5.296 3.597 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.541 6.869 4.981 1.00 24.09 N ATOM 0 H ASN A 60 11.679 5.148 1.737 1.00 12.38 H new ATOM 0 HA ASN A 60 12.972 3.739 2.677 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.941 4.869 5.362 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.230 3.684 5.283 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.132 7.659 4.722 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.781 6.998 5.649 1.00 24.09 H new ATOM 962 N ILE A 61 10.706 2.080 2.697 1.00 11.08 N ATOM 963 CA ILE A 61 9.957 0.838 2.869 1.00 11.78 C ATOM 964 C ILE A 61 10.867 -0.316 2.543 1.00 13.74 C ATOM 965 O ILE A 61 10.973 -0.730 1.384 1.00 14.60 O ATOM 966 CB ILE A 61 8.610 0.749 2.048 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.739 2.003 2.390 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.862 -0.501 2.546 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.448 2.122 1.586 1.00 11.42 C ATOM 0 H ILE A 61 10.631 2.484 1.763 1.00 11.08 H new ATOM 0 HA ILE A 61 9.634 0.805 3.910 1.00 11.78 H new ATOM 0 HB ILE A 61 8.802 0.703 0.976 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.489 1.976 3.451 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.337 2.899 2.226 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.922 -0.602 2.004 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.476 -1.385 2.375 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.657 -0.402 3.612 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.911 3.020 1.891 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.685 2.184 0.524 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.824 1.247 1.768 1.00 11.42 H new ATOM 981 N GLN A 62 11.685 -0.741 3.522 1.00 13.97 N ATOM 982 CA GLN A 62 12.672 -1.793 3.428 1.00 15.52 C ATOM 983 C GLN A 62 12.062 -3.167 3.028 1.00 13.94 C ATOM 984 O GLN A 62 10.877 -3.428 3.231 1.00 12.15 O ATOM 985 CB GLN A 62 13.387 -1.939 4.788 1.00 19.53 C ATOM 986 CG GLN A 62 14.113 -0.668 5.270 1.00 26.38 C ATOM 987 CD GLN A 62 14.894 -0.959 6.521 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.567 -0.491 7.648 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.900 -1.824 6.387 1.00 32.71 N ATOM 0 H GLN A 62 11.661 -0.323 4.452 1.00 13.97 H new ATOM 0 HA GLN A 62 13.370 -1.507 2.641 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.654 -2.230 5.540 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.111 -2.751 4.718 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.783 -0.305 4.490 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.388 0.123 5.461 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.142 -2.186 5.465 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.427 -2.124 7.207 1.00 32.71 H new ATOM 998 N LYS A 63 12.822 -4.041 2.385 1.00 11.73 N ATOM 999 CA LYS A 63 12.433 -5.358 2.022 1.00 11.97 C ATOM 1000 C LYS A 63 11.822 -6.146 3.162 1.00 10.41 C ATOM 1001 O LYS A 63 12.401 -6.258 4.234 1.00 9.59 O ATOM 1002 CB LYS A 63 13.649 -6.089 1.395 1.00 13.73 C ATOM 1003 CG LYS A 63 14.984 -6.219 2.181 1.00 16.98 C ATOM 1004 CD LYS A 63 16.211 -6.512 1.335 1.00 20.19 C ATOM 1005 CE LYS A 63 17.495 -6.494 2.137 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.507 -7.071 1.273 1.00 25.97 N ATOM 0 H LYS A 63 13.775 -3.819 2.096 1.00 11.73 H new ATOM 0 HA LYS A 63 11.634 -5.279 1.285 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.323 -7.099 1.145 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.877 -5.586 0.455 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.155 -5.293 2.730 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.875 -7.012 2.920 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.097 -7.488 0.863 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.278 -5.776 0.534 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.761 -5.477 2.427 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.390 -7.070 3.056 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 19.420 -7.087 1.770 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.234 -8.042 1.019 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.593 -6.498 0.409 1.00 25.97 H new ATOM 1020 N GLU A 64 10.596 -6.721 3.013 1.00 10.04 N ATOM 1021 CA GLU A 64 9.907 -7.589 3.994 1.00 10.94 C ATOM 1022 C GLU A 64 9.155 -6.688 5.010 1.00 9.74 C ATOM 1023 O GLU A 64 8.629 -7.167 5.997 1.00 9.42 O ATOM 1024 CB GLU A 64 10.763 -8.686 4.707 1.00 18.31 C ATOM 1025 CG GLU A 64 11.477 -9.716 3.816 1.00 24.16 C ATOM 1026 CD GLU A 64 12.210 -10.899 4.506 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.941 -10.611 5.494 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.990 -12.055 4.123 1.00 32.61 O ATOM 0 H GLU A 64 10.042 -6.582 2.168 1.00 10.04 H new ATOM 0 HA GLU A 64 9.217 -8.197 3.409 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.518 -8.184 5.313 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.112 -9.228 5.393 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.738 -10.135 3.133 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.206 -9.181 3.208 1.00 24.16 H new ATOM 1035 N SER A 65 9.022 -5.376 4.712 1.00 6.85 N ATOM 1036 CA SER A 65 8.112 -4.446 5.418 1.00 6.90 C ATOM 1037 C SER A 65 6.627 -4.893 5.488 1.00 4.72 C ATOM 1038 O SER A 65 6.083 -5.363 4.481 1.00 3.91 O ATOM 1039 CB SER A 65 8.151 -2.951 5.070 1.00 7.28 C ATOM 1040 OG SER A 65 9.455 -2.416 5.116 1.00 10.56 O ATOM 0 H SER A 65 9.551 -4.927 3.964 1.00 6.85 H new ATOM 0 HA SER A 65 8.583 -4.531 6.397 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.737 -2.803 4.073 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.513 -2.404 5.764 1.00 7.28 H new ATOM 0 HG SER A 65 9.924 -2.625 4.281 1.00 10.56 H new ATOM 1046 N THR A 66 6.019 -4.559 6.652 1.00 4.48 N ATOM 1047 CA THR A 66 4.652 -4.597 7.015 1.00 3.80 C ATOM 1048 C THR A 66 4.014 -3.301 6.745 1.00 4.60 C ATOM 1049 O THR A 66 4.310 -2.272 7.414 1.00 5.33 O ATOM 1050 CB THR A 66 4.411 -4.937 8.519 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.159 -6.125 8.887 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.899 -5.257 8.720 1.00 3.40 C ATOM 0 H THR A 66 6.582 -4.218 7.432 1.00 4.48 H new ATOM 0 HA THR A 66 4.217 -5.394 6.412 1.00 3.80 H new ATOM 0 HB THR A 66 4.726 -4.091 9.129 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.003 -6.330 9.833 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.714 -5.497 9.767 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.303 -4.390 8.435 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.621 -6.108 8.098 1.00 3.40 H new ATOM 1060 N LEU A 67 3.069 -3.318 5.795 1.00 4.17 N ATOM 1061 CA LEU A 67 2.229 -2.201 5.468 1.00 3.85 C ATOM 1062 C LEU A 67 0.775 -2.495 5.850 1.00 3.80 C ATOM 1063 O LEU A 67 0.364 -3.597 5.952 1.00 5.54 O ATOM 1064 CB LEU A 67 2.123 -1.922 3.971 1.00 7.18 C ATOM 1065 CG LEU A 67 3.234 -1.232 3.135 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.532 -2.001 3.329 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.689 -0.946 1.722 1.00 11.66 C ATOM 0 H LEU A 67 2.877 -4.143 5.227 1.00 4.17 H new ATOM 0 HA LEU A 67 2.688 -1.368 6.001 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.937 -2.885 3.495 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.224 -1.321 3.837 1.00 7.18 H new ATOM 0 HG LEU A 67 3.517 -0.232 3.463 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.325 -1.529 2.748 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.804 -1.996 4.385 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.399 -3.030 2.994 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.462 -0.461 1.125 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.399 -1.883 1.247 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.821 -0.291 1.793 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.069 -1.467 6.083 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.454 -1.687 6.597 1.00 4.17 C ATOM 1081 C HIS A 68 -2.542 -1.103 5.694 1.00 5.32 C ATOM 1082 O HIS A 68 -2.522 0.134 5.538 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.732 -1.137 7.941 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.770 -1.782 8.859 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.406 -1.081 9.184 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.813 -2.894 9.604 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.015 -1.843 10.162 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.279 -2.883 10.474 1.00 16.30 N ATOM 0 H HIS A 68 0.172 -0.488 5.929 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.488 -2.776 6.628 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.612 -0.054 7.950 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.758 -1.347 8.243 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.564 -3.667 9.542 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.970 -1.613 10.610 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.469 -3.558 11.215 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.399 -1.933 5.048 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.483 -1.403 4.265 1.00 3.97 C ATOM 1098 C LEU A 69 -5.459 -0.672 5.153 1.00 5.07 C ATOM 1099 O LEU A 69 -5.920 -1.317 6.118 1.00 4.34 O ATOM 1100 CB LEU A 69 -5.253 -2.481 3.486 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.597 -2.075 2.861 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.355 -1.092 1.711 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -7.403 -3.297 2.433 1.00 9.96 C ATOM 0 H LEU A 69 -3.342 -2.951 5.068 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.027 -0.727 3.542 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.607 -2.847 2.688 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.434 -3.319 4.159 1.00 6.08 H new ATOM 0 HG LEU A 69 -7.202 -1.566 3.611 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -7.310 -0.806 1.270 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.851 -0.204 2.092 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.732 -1.566 0.952 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -8.348 -2.975 1.995 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -6.837 -3.866 1.696 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.601 -3.925 3.302 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.778 0.609 4.896 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.938 1.183 5.456 1.00 6.26 C ATOM 1117 C VAL A 70 -7.819 1.476 4.282 1.00 9.22 C ATOM 1118 O VAL A 70 -7.449 2.167 3.322 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.665 2.523 6.164 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.943 3.251 6.624 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.718 2.175 7.301 1.00 8.54 C ATOM 0 H VAL A 70 -5.231 1.234 4.304 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.361 0.506 6.198 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.220 3.249 5.484 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.673 4.186 7.114 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.572 3.463 5.760 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.489 2.619 7.324 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.472 3.078 7.859 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.197 1.457 7.966 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.805 1.740 6.894 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.031 0.953 4.242 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.998 1.587 3.311 1.00 16.06 C ATOM 1133 C LEU A 71 -10.402 3.013 3.690 1.00 18.09 C ATOM 1134 O LEU A 71 -10.631 3.366 4.858 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.282 0.788 3.143 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.123 -0.716 2.870 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.475 -1.424 3.031 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.613 -0.871 1.460 1.00 19.57 C ATOM 0 H LEU A 71 -9.368 0.159 4.786 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.439 1.612 2.375 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.880 0.909 4.046 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.851 1.225 2.323 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.424 -1.164 3.576 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.353 -2.489 2.836 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.842 -1.281 4.047 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.191 -1.005 2.324 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.488 -1.930 1.232 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.328 -0.432 0.764 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.653 -0.364 1.362 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.558 3.898 2.654 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.984 5.276 2.848 1.00 25.83 C ATOM 1152 C ARG A 72 -12.417 5.460 3.303 1.00 27.74 C ATOM 1153 O ARG A 72 -13.307 4.871 2.677 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.862 6.049 1.489 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.957 7.578 1.581 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.327 8.244 0.237 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.242 9.709 0.399 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.795 10.508 -0.586 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.631 10.092 -1.835 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.616 11.792 -0.333 1.00 35.02 N ATOM 0 H ARG A 72 -10.387 3.654 1.679 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.334 5.652 3.638 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.908 5.790 1.029 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.645 5.695 0.819 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.703 7.845 2.330 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.002 7.975 1.926 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.650 7.910 -0.550 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -12.334 7.954 -0.064 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.531 10.127 1.283 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.847 9.127 -2.084 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.289 10.738 -2.547 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.816 12.161 0.596 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.278 12.414 -1.067 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.664 6.174 4.429 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.958 6.425 5.024 1.00 30.76 C ATOM 1176 C LEU A 73 -14.281 7.858 4.698 1.00 32.18 C ATOM 1177 O LEU A 73 -13.381 8.652 4.428 1.00 32.31 O ATOM 1178 CB LEU A 73 -13.977 6.267 6.598 1.00 30.53 C ATOM 1179 CG LEU A 73 -13.705 4.786 6.936 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -13.665 4.714 8.499 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -14.866 3.882 6.402 1.00 29.11 C ATOM 0 H LEU A 73 -11.908 6.606 4.961 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.671 5.700 4.632 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -13.221 6.906 7.054 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -14.941 6.578 7.000 1.00 30.53 H new ATOM 0 HG LEU A 73 -12.778 4.437 6.481 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -13.475 3.687 8.811 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -12.870 5.360 8.873 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -14.622 5.045 8.903 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -14.659 2.841 6.648 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -15.805 4.185 6.865 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.943 3.990 5.320 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.530 8.273 4.734 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.827 9.662 4.535 1.00 35.33 C ATOM 1195 C ARG A 74 -15.789 10.547 5.756 1.00 36.22 C ATOM 1196 O ARG A 74 -15.868 11.760 5.628 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.152 9.791 3.763 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.184 9.159 2.335 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.223 9.785 1.285 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.074 8.874 0.123 1.00 41.13 N ATOM 1201 CZ ARG A 74 -15.563 9.243 -1.061 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.817 10.334 -1.229 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -15.632 8.434 -2.077 1.00 41.93 N ATOM 0 H ARG A 74 -16.339 7.674 4.897 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.998 10.055 3.946 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.941 9.332 4.358 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.395 10.850 3.674 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.949 8.098 2.425 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.202 9.229 1.952 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.611 10.748 0.954 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.249 9.972 1.738 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.379 7.907 0.231 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -14.609 10.937 -0.433 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -14.454 10.566 -2.154 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.074 7.521 -1.973 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.244 8.713 -2.978 1.00 41.93 H new ATOM 1217 N GLY A 75 -15.543 9.957 6.972 1.00 36.31 N ATOM 1218 CA GLY A 75 -15.620 10.770 8.164 1.00 36.07 C ATOM 1219 C GLY A 75 -14.307 11.171 8.784 1.00 36.16 C ATOM 1220 O GLY A 75 -14.324 11.789 9.843 1.00 36.26 O ATOM 0 H GLY A 75 -15.305 8.976 7.117 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -16.176 11.676 7.925 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -16.200 10.228 8.911 1.00 36.07 H new ATOM 1224 N GLY A 76 -13.160 10.879 8.145 1.00 36.05 N ATOM 1225 CA GLY A 76 -11.838 11.302 8.614 1.00 36.19 C ATOM 1226 C GLY A 76 -10.726 11.000 7.614 1.00 36.20 C ATOM 1227 O GLY A 76 -10.743 11.618 6.514 1.00 0.00 O ATOM 1228 OXT GLY A 76 -9.796 10.210 7.833 1.00 0.00 O ATOM 0 H GLY A 76 -13.130 10.338 7.281 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -11.856 12.373 8.817 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -11.616 10.803 9.557 1.00 36.19 H new TER 1232 GLY A 76