USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 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 62 GLN : amide:sc= 0.271 K(o=1.8,f=1) USER MOD Set 1.2: A 65 SER OG : rot 106:sc= 1.54 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.0357 K(o=0.036,f=-2.3!) USER MOD Set 3.1: A 7 THR OG1 : rot 132:sc= 0.86 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.575 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.0947 (180deg=-0.266) USER MOD Single : A 1 MET N :NH3+ 160:sc= 0.703 (180deg=0.443) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0289) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -88:sc= 0.546 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 1.28 (180deg=1.23) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0205) USER MOD Single : A 31 GLN : amide:sc= -0.216 K(o=-0.22,f=-2.5!) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0206) USER MOD Single : A 40 GLN : amide:sc= -0.62 K(o=-0.62,f=-2.4) USER MOD Single : A 41 GLN : amide:sc= 0.179 K(o=0.18,f=-1.1) 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) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 100:sc= 0.466 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.204 K(o=0.2,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.788 -7.304 -4.900 1.00 9.67 N ATOM 2 CA MET A 1 11.521 -7.659 -3.504 1.00 10.38 C ATOM 3 C MET A 1 10.094 -7.906 -3.147 1.00 9.62 C ATOM 4 O MET A 1 9.213 -7.565 -3.955 1.00 9.62 O ATOM 5 CB MET A 1 12.167 -6.638 -2.560 1.00 13.77 C ATOM 6 CG MET A 1 11.368 -5.314 -2.278 1.00 16.29 C ATOM 7 SD MET A 1 12.288 -4.099 -1.274 1.00 17.17 S ATOM 8 CE MET A 1 10.940 -2.914 -1.515 1.00 16.11 C ATOM 0 H1 MET A 1 12.714 -6.835 -4.968 1.00 9.67 H new ATOM 0 H2 MET A 1 11.792 -8.166 -5.483 1.00 9.67 H new ATOM 0 H3 MET A 1 11.047 -6.659 -5.242 1.00 9.67 H new ATOM 0 HA MET A 1 11.986 -8.636 -3.375 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.352 -7.131 -1.605 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.139 -6.365 -2.972 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.097 -4.855 -3.229 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.438 -5.564 -1.767 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.309 -1.903 -1.341 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.564 -2.993 -2.535 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.134 -3.132 -0.814 1.00 16.11 H new ATOM 20 N GLN A 2 9.785 -8.556 -2.022 1.00 9.27 N ATOM 21 CA GLN A 2 8.418 -8.804 -1.722 1.00 9.07 C ATOM 22 C GLN A 2 8.104 -8.151 -0.372 1.00 8.72 C ATOM 23 O GLN A 2 8.868 -8.292 0.635 1.00 8.22 O ATOM 24 CB GLN A 2 8.044 -10.290 -1.677 1.00 14.46 C ATOM 25 CG GLN A 2 7.888 -10.955 -3.071 1.00 17.01 C ATOM 26 CD GLN A 2 7.439 -12.433 -2.983 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.294 -12.690 -3.308 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.318 -13.377 -2.566 1.00 19.49 N ATOM 0 H GLN A 2 10.457 -8.902 -1.337 1.00 9.27 H new ATOM 0 HA GLN A 2 7.825 -8.378 -2.531 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.808 -10.827 -1.115 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.108 -10.400 -1.129 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.161 -10.393 -3.657 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.838 -10.900 -3.603 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.267 -13.110 -2.305 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.030 -14.354 -2.514 1.00 19.49 H new ATOM 37 N ILE A 3 6.952 -7.445 -0.276 1.00 5.87 N ATOM 38 CA ILE A 3 6.409 -6.843 0.963 1.00 5.07 C ATOM 39 C ILE A 3 5.076 -7.445 1.320 1.00 4.01 C ATOM 40 O ILE A 3 4.513 -8.187 0.546 1.00 4.61 O ATOM 41 CB ILE A 3 6.276 -5.322 0.908 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.416 -4.794 -0.271 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.651 -4.658 0.769 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.259 -3.294 -0.445 1.00 10.83 C ATOM 0 H ILE A 3 6.356 -7.274 -1.086 1.00 5.87 H new ATOM 0 HA ILE A 3 7.144 -7.073 1.734 1.00 5.07 H new ATOM 0 HB ILE A 3 5.782 -5.066 1.845 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.840 -5.191 -1.193 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.418 -5.221 -0.169 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.530 -3.575 0.732 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.272 -4.925 1.624 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.130 -5.001 -0.148 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.630 -3.092 -1.312 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.795 -2.871 0.446 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.239 -2.840 -0.594 1.00 10.83 H new ATOM 56 N PHE A 4 4.610 -7.141 2.542 1.00 4.55 N ATOM 57 CA PHE A 4 3.356 -7.631 3.040 1.00 4.68 C ATOM 58 C PHE A 4 2.304 -6.534 3.345 1.00 5.30 C ATOM 59 O PHE A 4 2.633 -5.747 4.186 1.00 5.58 O ATOM 60 CB PHE A 4 3.477 -8.461 4.343 1.00 4.83 C ATOM 61 CG PHE A 4 4.384 -9.660 4.194 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.024 -10.765 3.437 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.555 -9.721 4.951 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.836 -11.890 3.295 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.421 -10.833 4.860 1.00 10.61 C ATOM 66 CZ PHE A 4 6.101 -11.883 3.961 1.00 8.90 C ATOM 0 H PHE A 4 5.110 -6.544 3.200 1.00 4.55 H new ATOM 0 HA PHE A 4 3.026 -8.251 2.206 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.856 -7.822 5.141 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.486 -8.797 4.647 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.069 -10.754 2.933 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.802 -8.906 5.616 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.520 -12.736 2.703 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.314 -10.883 5.466 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.812 -12.676 3.780 1.00 8.90 H new ATOM 76 N VAL A 5 1.160 -6.501 2.710 1.00 4.44 N ATOM 77 CA VAL A 5 0.177 -5.494 2.986 1.00 3.87 C ATOM 78 C VAL A 5 -0.964 -6.186 3.804 1.00 4.93 C ATOM 79 O VAL A 5 -1.528 -7.158 3.308 1.00 6.84 O ATOM 80 CB VAL A 5 -0.248 -4.713 1.758 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.461 -3.717 1.967 1.00 5.28 C ATOM 82 CG2 VAL A 5 1.094 -3.926 1.419 1.00 9.13 C ATOM 0 H VAL A 5 0.888 -7.171 1.990 1.00 4.44 H new ATOM 0 HA VAL A 5 0.590 -4.692 3.598 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.632 -5.367 0.975 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.682 -3.211 1.027 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.338 -4.275 2.294 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.199 -2.978 2.724 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.939 -3.306 0.536 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.368 -3.294 2.263 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.895 -4.639 1.225 1.00 9.13 H new ATOM 92 N LYS A 6 -1.408 -5.689 4.953 1.00 6.04 N ATOM 93 CA LYS A 6 -2.180 -6.430 5.826 1.00 6.12 C ATOM 94 C LYS A 6 -3.311 -5.716 6.521 1.00 6.57 C ATOM 95 O LYS A 6 -3.163 -4.522 6.848 1.00 5.76 O ATOM 96 CB LYS A 6 -1.244 -6.969 6.847 1.00 7.45 C ATOM 97 CG LYS A 6 -1.862 -7.766 7.960 1.00 11.12 C ATOM 98 CD LYS A 6 -0.799 -8.256 8.961 1.00 14.54 C ATOM 99 CE LYS A 6 -1.363 -9.319 9.930 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.534 -9.620 11.109 1.00 20.55 N ATOM 0 H LYS A 6 -1.215 -4.739 5.270 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.690 -7.183 5.226 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.511 -7.598 6.342 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.698 -6.134 7.286 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.599 -7.155 8.481 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.394 -8.622 7.544 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.047 -8.675 8.416 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.421 -7.408 9.533 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.342 -8.986 10.274 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.518 -10.243 9.374 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.005 -10.344 11.689 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.394 -9.974 10.800 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.404 -8.755 11.672 1.00 20.55 H new ATOM 114 N THR A 7 -4.552 -6.285 6.575 1.00 7.41 N ATOM 115 CA THR A 7 -5.653 -5.605 7.277 1.00 7.48 C ATOM 116 C THR A 7 -5.614 -5.621 8.792 1.00 8.75 C ATOM 117 O THR A 7 -4.938 -6.469 9.393 1.00 8.58 O ATOM 118 CB THR A 7 -7.049 -5.973 6.813 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.377 -7.286 7.132 1.00 11.78 O ATOM 120 CG2 THR A 7 -7.147 -5.797 5.303 1.00 9.17 C ATOM 0 H THR A 7 -4.797 -7.181 6.153 1.00 7.41 H new ATOM 0 HA THR A 7 -5.443 -4.581 6.967 1.00 7.48 H new ATOM 0 HB THR A 7 -7.748 -5.313 7.327 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.263 -7.310 7.550 1.00 11.78 H new ATOM 0 HG21 THR A 7 -8.151 -6.062 4.970 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.941 -4.759 5.044 1.00 9.17 H new ATOM 0 HG23 THR A 7 -6.420 -6.445 4.813 1.00 9.17 H new ATOM 128 N LEU A 8 -6.334 -4.683 9.493 1.00 9.84 N ATOM 129 CA LEU A 8 -6.438 -4.711 10.930 1.00 14.15 C ATOM 130 C LEU A 8 -7.330 -5.918 11.321 1.00 17.37 C ATOM 131 O LEU A 8 -7.278 -6.380 12.473 1.00 17.01 O ATOM 132 CB LEU A 8 -6.998 -3.375 11.472 1.00 16.63 C ATOM 133 CG LEU A 8 -6.245 -2.117 10.951 1.00 18.88 C ATOM 134 CD1 LEU A 8 -7.028 -0.888 11.392 1.00 19.31 C ATOM 135 CD2 LEU A 8 -4.737 -1.970 11.410 1.00 18.59 C ATOM 0 H LEU A 8 -6.838 -3.913 9.053 1.00 9.84 H new ATOM 0 HA LEU A 8 -5.452 -4.831 11.380 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.050 -3.296 11.198 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -6.952 -3.388 12.561 1.00 16.63 H new ATOM 0 HG LEU A 8 -6.191 -2.225 9.868 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -6.522 0.011 11.040 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.033 -0.927 10.972 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -7.090 -0.867 12.480 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -4.315 -1.058 10.987 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -4.691 -1.920 12.498 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -4.165 -2.830 11.062 1.00 18.59 H new ATOM 147 N THR A 9 -8.178 -6.449 10.377 1.00 18.33 N ATOM 148 CA THR A 9 -8.988 -7.637 10.518 1.00 19.24 C ATOM 149 C THR A 9 -8.118 -8.864 10.271 1.00 19.48 C ATOM 150 O THR A 9 -8.635 -9.979 10.515 1.00 23.14 O ATOM 151 CB THR A 9 -10.300 -7.560 9.718 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.046 -7.185 8.362 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.234 -6.534 10.298 1.00 19.70 C ATOM 0 H THR A 9 -8.296 -6.012 9.463 1.00 18.33 H new ATOM 0 HA THR A 9 -9.354 -7.725 11.541 1.00 19.24 H new ATOM 0 HB THR A 9 -10.753 -8.550 9.765 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.893 -7.143 7.870 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.152 -6.504 9.710 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.471 -6.799 11.328 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.757 -5.554 10.276 1.00 19.70 H new ATOM 161 N GLY A 10 -6.840 -8.742 9.909 1.00 19.43 N ATOM 162 CA GLY A 10 -5.881 -9.865 9.948 1.00 18.74 C ATOM 163 C GLY A 10 -5.581 -10.650 8.656 1.00 17.62 C ATOM 164 O GLY A 10 -4.930 -11.694 8.658 1.00 19.74 O ATOM 0 H GLY A 10 -6.434 -7.866 9.580 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.934 -9.474 10.320 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.243 -10.579 10.688 1.00 18.74 H new ATOM 168 N LYS A 11 -6.136 -10.088 7.587 1.00 13.56 N ATOM 169 CA LYS A 11 -5.866 -10.678 6.297 1.00 11.91 C ATOM 170 C LYS A 11 -4.596 -10.080 5.645 1.00 10.18 C ATOM 171 O LYS A 11 -4.372 -8.882 5.601 1.00 9.10 O ATOM 172 CB LYS A 11 -7.194 -10.429 5.463 1.00 13.43 C ATOM 173 CG LYS A 11 -7.167 -11.082 4.084 1.00 16.69 C ATOM 174 CD LYS A 11 -8.525 -10.991 3.388 1.00 17.92 C ATOM 175 CE LYS A 11 -8.537 -11.542 1.953 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.973 -12.917 1.868 1.00 21.93 N ATOM 0 H LYS A 11 -6.743 -9.268 7.589 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.639 -11.742 6.356 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.046 -10.814 6.024 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.347 -9.356 5.347 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.409 -10.599 3.467 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.878 -12.128 4.183 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.261 -11.535 3.980 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.841 -9.948 3.367 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -9.560 -11.548 1.578 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.964 -10.877 1.307 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.095 -13.283 0.902 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.960 -12.892 2.103 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.469 -13.538 2.539 1.00 21.93 H new ATOM 190 N THR A 12 -3.729 -10.927 5.087 1.00 9.63 N ATOM 191 CA THR A 12 -2.404 -10.507 4.598 1.00 9.85 C ATOM 192 C THR A 12 -2.323 -10.834 3.146 1.00 11.66 C ATOM 193 O THR A 12 -2.613 -11.922 2.634 1.00 12.33 O ATOM 194 CB THR A 12 -1.322 -11.288 5.260 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.550 -11.523 6.655 1.00 10.91 O ATOM 196 CG2 THR A 12 0.029 -10.585 5.046 1.00 9.63 C ATOM 0 H THR A 12 -3.920 -11.921 4.959 1.00 9.63 H new ATOM 0 HA THR A 12 -2.281 -9.443 4.803 1.00 9.85 H new ATOM 0 HB THR A 12 -1.314 -12.272 4.791 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.805 -12.041 7.026 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.819 -11.159 5.531 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.237 -10.513 3.978 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.009 -9.584 5.476 1.00 9.63 H new ATOM 204 N ILE A 13 -1.968 -9.804 2.324 1.00 10.42 N ATOM 205 CA ILE A 13 -1.679 -9.961 0.934 1.00 11.84 C ATOM 206 C ILE A 13 -0.204 -9.644 0.679 1.00 10.55 C ATOM 207 O ILE A 13 0.398 -8.621 0.959 1.00 11.92 O ATOM 208 CB ILE A 13 -2.551 -9.190 -0.004 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.489 -7.659 0.167 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.965 -9.704 0.160 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.251 -7.015 -0.934 1.00 16.46 C ATOM 0 H ILE A 13 -1.884 -8.841 2.649 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.902 -11.004 0.710 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.180 -9.354 -1.016 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.907 -7.371 1.132 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.453 -7.321 0.155 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.630 -9.161 -0.512 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.996 -10.767 -0.079 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.289 -9.555 1.190 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.211 -5.932 -0.819 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.813 -7.295 -1.892 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.289 -7.346 -0.900 1.00 16.46 H new ATOM 223 N THR A 14 0.544 -10.596 0.101 1.00 9.39 N ATOM 224 CA THR A 14 1.911 -10.485 -0.304 1.00 9.63 C ATOM 225 C THR A 14 2.002 -9.861 -1.700 1.00 11.20 C ATOM 226 O THR A 14 1.397 -10.315 -2.684 1.00 11.63 O ATOM 227 CB THR A 14 2.670 -11.859 -0.276 1.00 10.38 C ATOM 228 OG1 THR A 14 2.441 -12.475 0.977 1.00 16.30 O ATOM 229 CG2 THR A 14 4.155 -11.832 -0.504 1.00 11.66 C ATOM 0 H THR A 14 0.161 -11.520 -0.100 1.00 9.39 H new ATOM 0 HA THR A 14 2.402 -9.837 0.422 1.00 9.63 H new ATOM 0 HB THR A 14 2.262 -12.403 -1.128 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.115 -12.170 1.620 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.549 -12.847 -0.458 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.365 -11.406 -1.485 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.630 -11.223 0.265 1.00 11.66 H new ATOM 237 N LEU A 15 2.820 -8.855 -1.814 1.00 8.29 N ATOM 238 CA LEU A 15 3.036 -8.142 -3.032 1.00 9.03 C ATOM 239 C LEU A 15 4.405 -8.133 -3.506 1.00 8.59 C ATOM 240 O LEU A 15 5.276 -7.623 -2.814 1.00 7.79 O ATOM 241 CB LEU A 15 2.598 -6.621 -2.900 1.00 11.08 C ATOM 242 CG LEU A 15 1.228 -6.310 -2.303 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.993 -4.790 -2.342 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.165 -6.873 -3.218 1.00 15.27 C ATOM 0 H LEU A 15 3.372 -8.499 -1.033 1.00 8.29 H new ATOM 0 HA LEU A 15 2.425 -8.690 -3.750 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.348 -6.111 -2.295 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.635 -6.177 -3.895 1.00 11.08 H new ATOM 0 HG LEU A 15 1.187 -6.717 -1.293 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.016 -4.562 -1.917 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.767 -4.287 -1.762 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.029 -4.443 -3.375 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.821 -6.659 -2.805 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.253 -6.415 -4.203 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.295 -7.952 -3.306 1.00 15.27 H new ATOM 256 N GLU A 16 4.724 -8.645 -4.695 1.00 11.04 N ATOM 257 CA GLU A 16 6.007 -8.374 -5.371 1.00 11.50 C ATOM 258 C GLU A 16 6.072 -6.928 -5.771 1.00 10.13 C ATOM 259 O GLU A 16 5.104 -6.488 -6.444 1.00 9.83 O ATOM 260 CB GLU A 16 6.316 -9.243 -6.572 1.00 17.22 C ATOM 261 CG GLU A 16 7.746 -9.189 -7.109 1.00 23.33 C ATOM 262 CD GLU A 16 8.121 -10.240 -8.150 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.220 -10.757 -8.845 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.307 -10.652 -8.226 1.00 28.86 O ATOM 0 H GLU A 16 4.105 -9.260 -5.222 1.00 11.04 H new ATOM 0 HA GLU A 16 6.770 -8.626 -4.634 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.089 -10.277 -6.311 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.639 -8.962 -7.379 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.910 -8.203 -7.544 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.431 -9.283 -6.266 1.00 23.33 H new ATOM 271 N VAL A 17 7.207 -6.262 -5.426 1.00 8.99 N ATOM 272 CA VAL A 17 7.469 -4.884 -5.598 1.00 8.85 C ATOM 273 C VAL A 17 8.884 -4.657 -5.955 1.00 8.04 C ATOM 274 O VAL A 17 9.691 -5.569 -6.082 1.00 8.99 O ATOM 275 CB VAL A 17 7.116 -4.062 -4.363 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.572 -4.135 -4.113 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.788 -4.547 -3.081 1.00 10.54 C ATOM 0 H VAL A 17 7.993 -6.747 -4.993 1.00 8.99 H new ATOM 0 HA VAL A 17 6.829 -4.550 -6.414 1.00 8.85 H new ATOM 0 HB VAL A 17 7.467 -3.052 -4.575 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.318 -3.548 -3.230 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.044 -3.735 -4.979 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.278 -5.173 -3.955 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.486 -3.911 -2.249 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.488 -5.575 -2.879 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.871 -4.502 -3.198 1.00 10.54 H new ATOM 287 N GLU A 18 9.255 -3.381 -6.226 1.00 7.29 N ATOM 288 CA GLU A 18 10.609 -2.995 -6.610 1.00 7.08 C ATOM 289 C GLU A 18 10.822 -1.638 -6.060 1.00 6.45 C ATOM 290 O GLU A 18 9.834 -0.917 -6.129 1.00 5.28 O ATOM 291 CB GLU A 18 10.697 -2.743 -8.204 1.00 10.28 C ATOM 292 CG GLU A 18 12.025 -2.319 -8.939 1.00 12.65 C ATOM 293 CD GLU A 18 11.860 -2.442 -10.405 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.046 -1.702 -10.935 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.398 -3.407 -11.037 1.00 14.33 O ATOM 0 H GLU A 18 8.607 -2.595 -6.180 1.00 7.29 H new ATOM 0 HA GLU A 18 11.304 -3.765 -6.275 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.361 -3.664 -8.681 1.00 10.28 H new ATOM 0 HB3 GLU A 18 9.958 -1.976 -8.436 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.281 -1.292 -8.679 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.851 -2.947 -8.605 1.00 12.65 H new ATOM 302 N PRO A 19 11.952 -1.302 -5.355 1.00 7.24 N ATOM 303 CA PRO A 19 12.161 -0.019 -4.668 1.00 7.07 C ATOM 304 C PRO A 19 11.815 1.300 -5.362 1.00 6.65 C ATOM 305 O PRO A 19 11.474 2.259 -4.641 1.00 6.37 O ATOM 306 CB PRO A 19 13.604 -0.033 -4.278 1.00 7.61 C ATOM 307 CG PRO A 19 13.881 -1.466 -3.951 1.00 8.16 C ATOM 308 CD PRO A 19 12.942 -2.235 -4.870 1.00 7.49 C ATOM 0 HA PRO A 19 11.430 0.005 -3.860 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.240 0.320 -5.090 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.792 0.615 -3.421 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.923 -1.725 -4.137 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.681 -1.683 -2.902 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.494 -2.676 -5.701 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.466 -3.055 -4.333 1.00 7.49 H new ATOM 316 N SER A 20 11.857 1.425 -6.712 1.00 6.80 N ATOM 317 CA SER A 20 11.359 2.587 -7.348 1.00 6.28 C ATOM 318 C SER A 20 9.921 2.630 -7.813 1.00 8.45 C ATOM 319 O SER A 20 9.530 3.613 -8.522 1.00 7.26 O ATOM 320 CB SER A 20 12.230 2.894 -8.604 1.00 8.57 C ATOM 321 OG SER A 20 13.594 2.982 -8.171 1.00 11.13 O ATOM 0 H SER A 20 12.235 0.720 -7.344 1.00 6.80 H new ATOM 0 HA SER A 20 11.408 3.314 -6.538 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.115 2.109 -9.352 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.915 3.827 -9.070 1.00 8.57 H new ATOM 0 HG SER A 20 14.170 3.173 -8.941 1.00 11.13 H new ATOM 327 N ASP A 21 9.128 1.612 -7.448 1.00 7.50 N ATOM 328 CA ASP A 21 7.669 1.608 -7.646 1.00 7.70 C ATOM 329 C ASP A 21 6.993 2.685 -6.836 1.00 7.08 C ATOM 330 O ASP A 21 7.528 2.914 -5.714 1.00 8.11 O ATOM 331 CB ASP A 21 7.010 0.221 -7.196 1.00 11.00 C ATOM 332 CG ASP A 21 7.131 -0.896 -8.124 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.957 -0.730 -9.385 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.286 -2.061 -7.666 1.00 14.36 O ATOM 0 H ASP A 21 9.481 0.764 -7.005 1.00 7.50 H new ATOM 0 HA ASP A 21 7.523 1.776 -8.713 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.457 -0.076 -6.247 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.950 0.394 -7.008 1.00 11.00 H new ATOM 339 N THR A 22 5.891 3.288 -7.246 1.00 5.37 N ATOM 340 CA THR A 22 5.299 4.187 -6.284 1.00 6.01 C ATOM 341 C THR A 22 4.171 3.542 -5.424 1.00 8.01 C ATOM 342 O THR A 22 3.820 2.383 -5.667 1.00 8.11 O ATOM 343 CB THR A 22 4.675 5.390 -6.987 1.00 8.92 C ATOM 344 OG1 THR A 22 3.761 5.048 -8.001 1.00 10.22 O ATOM 345 CG2 THR A 22 5.676 6.291 -7.589 1.00 9.65 C ATOM 0 H THR A 22 5.427 3.187 -8.149 1.00 5.37 H new ATOM 0 HA THR A 22 6.123 4.470 -5.629 1.00 6.01 H new ATOM 0 HB THR A 22 4.146 5.897 -6.180 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.401 5.865 -8.406 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.169 7.126 -8.073 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.339 6.670 -6.811 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.261 5.743 -8.328 1.00 9.65 H new ATOM 353 N ILE A 23 3.577 4.270 -4.449 1.00 8.32 N ATOM 354 CA ILE A 23 2.368 3.814 -3.648 1.00 9.92 C ATOM 355 C ILE A 23 1.249 3.525 -4.678 1.00 10.01 C ATOM 356 O ILE A 23 0.481 2.595 -4.534 1.00 8.71 O ATOM 357 CB ILE A 23 2.084 4.857 -2.570 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.324 5.145 -1.623 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.813 4.566 -1.778 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.804 3.912 -0.871 1.00 12.30 C ATOM 0 H ILE A 23 3.908 5.196 -4.179 1.00 8.32 H new ATOM 0 HA ILE A 23 2.500 2.890 -3.084 1.00 9.92 H new ATOM 0 HB ILE A 23 1.904 5.782 -3.118 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.145 5.540 -2.221 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.052 5.918 -0.904 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.666 5.343 -1.027 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.041 4.549 -2.455 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.905 3.598 -1.285 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.654 4.177 -0.242 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.996 3.529 -0.247 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.106 3.145 -1.584 1.00 12.30 H new ATOM 372 N GLU A 24 1.088 4.482 -5.684 1.00 9.54 N ATOM 373 CA GLU A 24 0.070 4.368 -6.709 1.00 11.81 C ATOM 374 C GLU A 24 0.152 3.044 -7.444 1.00 11.14 C ATOM 375 O GLU A 24 -0.778 2.322 -7.806 1.00 10.62 O ATOM 376 CB GLU A 24 0.212 5.573 -7.629 1.00 19.24 C ATOM 377 CG GLU A 24 -0.976 5.678 -8.572 1.00 27.76 C ATOM 378 CD GLU A 24 -0.756 6.846 -9.462 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.110 6.801 -10.334 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.492 7.829 -9.172 1.00 34.80 O ATOM 0 H GLU A 24 1.668 5.317 -5.766 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.924 4.372 -6.263 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.291 6.483 -7.034 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.133 5.489 -8.206 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.078 4.766 -9.159 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.901 5.798 -8.008 1.00 27.76 H new ATOM 387 N ASN A 25 1.421 2.640 -7.724 1.00 9.43 N ATOM 388 CA ASN A 25 1.726 1.390 -8.432 1.00 10.96 C ATOM 389 C ASN A 25 1.461 0.186 -7.583 1.00 9.68 C ATOM 390 O ASN A 25 0.962 -0.874 -8.004 1.00 9.33 O ATOM 391 CB ASN A 25 3.238 1.337 -8.882 1.00 16.78 C ATOM 392 CG ASN A 25 3.587 2.483 -9.928 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.790 2.773 -9.997 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.608 3.139 -10.579 1.00 24.70 N ATOM 0 H ASN A 25 2.248 3.176 -7.462 1.00 9.43 H new ATOM 0 HA ASN A 25 1.072 1.375 -9.304 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.881 1.436 -8.007 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.451 0.364 -9.325 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.837 3.933 -11.178 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.638 2.842 -10.474 1.00 24.70 H new ATOM 401 N VAL A 26 1.813 0.243 -6.301 1.00 6.52 N ATOM 402 CA VAL A 26 1.349 -0.746 -5.298 1.00 5.53 C ATOM 403 C VAL A 26 -0.187 -0.823 -5.106 1.00 4.42 C ATOM 404 O VAL A 26 -0.699 -1.941 -5.038 1.00 3.40 O ATOM 405 CB VAL A 26 2.106 -0.498 -4.074 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.500 -1.269 -2.858 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.561 -0.866 -4.227 1.00 8.12 C ATOM 0 H VAL A 26 2.423 0.965 -5.918 1.00 6.52 H new ATOM 0 HA VAL A 26 1.553 -1.752 -5.663 1.00 5.53 H new ATOM 0 HB VAL A 26 2.037 0.573 -3.884 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.089 -1.061 -1.965 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.471 -0.945 -2.698 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.516 -2.340 -3.061 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.087 -0.666 -3.294 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.645 -1.925 -4.471 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.004 -0.273 -5.027 1.00 8.12 H new ATOM 417 N LYS A 27 -0.991 0.277 -5.147 1.00 2.64 N ATOM 418 CA LYS A 27 -2.475 0.238 -5.123 1.00 4.14 C ATOM 419 C LYS A 27 -3.002 -0.492 -6.304 1.00 5.58 C ATOM 420 O LYS A 27 -4.063 -1.128 -6.266 1.00 4.11 O ATOM 421 CB LYS A 27 -3.139 1.659 -5.180 1.00 3.97 C ATOM 422 CG LYS A 27 -2.968 2.393 -3.811 1.00 7.45 C ATOM 423 CD LYS A 27 -3.432 3.882 -3.734 1.00 9.02 C ATOM 424 CE LYS A 27 -3.384 4.372 -2.295 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.636 5.831 -2.189 1.00 15.47 N ATOM 0 H LYS A 27 -0.618 1.225 -5.198 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.721 -0.251 -4.181 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.684 2.249 -5.976 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.198 1.564 -5.419 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.516 1.830 -3.055 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.914 2.354 -3.536 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.791 4.503 -4.359 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.445 3.976 -4.124 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -4.126 3.833 -1.705 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.408 4.142 -1.867 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.543 6.128 -1.197 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -2.945 6.346 -2.771 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.597 6.043 -2.525 1.00 15.47 H new ATOM 439 N ALA A 28 -2.384 -0.376 -7.499 1.00 6.61 N ATOM 440 CA ALA A 28 -2.690 -1.125 -8.669 1.00 7.74 C ATOM 441 C ALA A 28 -2.529 -2.692 -8.581 1.00 9.17 C ATOM 442 O ALA A 28 -3.306 -3.446 -9.210 1.00 11.45 O ATOM 443 CB ALA A 28 -1.920 -0.610 -9.940 1.00 7.68 C ATOM 0 H ALA A 28 -1.623 0.286 -7.649 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.760 -0.940 -8.762 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.193 -1.219 -10.802 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.187 0.429 -10.131 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.846 -0.683 -9.769 1.00 7.68 H new ATOM 449 N LYS A 29 -1.441 -3.166 -7.843 1.00 8.96 N ATOM 450 CA LYS A 29 -1.148 -4.553 -7.564 1.00 7.90 C ATOM 451 C LYS A 29 -2.175 -5.099 -6.604 1.00 6.92 C ATOM 452 O LYS A 29 -2.711 -6.152 -6.836 1.00 6.87 O ATOM 453 CB LYS A 29 0.291 -4.655 -6.950 1.00 10.28 C ATOM 454 CG LYS A 29 1.284 -4.112 -8.010 1.00 14.94 C ATOM 455 CD LYS A 29 2.710 -3.928 -7.484 1.00 19.69 C ATOM 456 CE LYS A 29 3.664 -3.135 -8.437 1.00 22.63 C ATOM 457 NZ LYS A 29 3.685 -3.760 -9.770 1.00 24.98 N ATOM 0 H LYS A 29 -0.752 -2.534 -7.435 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.185 -5.139 -8.482 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.358 -4.076 -6.029 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.528 -5.688 -6.695 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.305 -4.796 -8.858 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.917 -3.155 -8.381 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.665 -3.411 -6.526 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.142 -4.911 -7.296 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.331 -2.100 -8.518 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.671 -3.115 -8.021 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.385 -3.277 -10.369 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.941 -4.764 -9.679 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.744 -3.681 -10.205 1.00 24.98 H new ATOM 471 N ILE A 30 -2.506 -4.391 -5.475 1.00 4.57 N ATOM 472 CA ILE A 30 -3.619 -4.654 -4.580 1.00 5.58 C ATOM 473 C ILE A 30 -4.925 -4.737 -5.362 1.00 7.26 C ATOM 474 O ILE A 30 -5.672 -5.639 -5.126 1.00 9.46 O ATOM 475 CB ILE A 30 -3.782 -3.584 -3.443 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.503 -3.703 -2.496 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.043 -3.836 -2.521 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.455 -2.629 -1.393 1.00 2.00 C ATOM 0 H ILE A 30 -1.957 -3.585 -5.175 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.390 -5.607 -4.103 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.897 -2.612 -3.923 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.494 -4.690 -2.033 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.602 -3.629 -3.104 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.096 -3.061 -1.757 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.948 -3.810 -3.128 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.955 -4.811 -2.043 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.560 -2.770 -0.787 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.432 -1.639 -1.849 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.339 -2.717 -0.761 1.00 2.00 H new ATOM 490 N GLN A 31 -5.161 -3.799 -6.245 1.00 7.06 N ATOM 491 CA GLN A 31 -6.335 -3.807 -7.143 1.00 8.67 C ATOM 492 C GLN A 31 -6.448 -5.014 -8.117 1.00 10.90 C ATOM 493 O GLN A 31 -7.532 -5.565 -8.348 1.00 9.63 O ATOM 494 CB GLN A 31 -6.333 -2.492 -7.903 1.00 9.12 C ATOM 495 CG GLN A 31 -7.554 -2.204 -8.871 1.00 10.76 C ATOM 496 CD GLN A 31 -7.284 -1.023 -9.822 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.179 -0.475 -9.909 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.318 -0.609 -10.565 1.00 14.76 N ATOM 0 H GLN A 31 -4.550 -2.993 -6.378 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.215 -3.923 -6.511 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.283 -1.683 -7.175 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.418 -2.446 -8.493 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.768 -3.098 -9.457 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.443 -1.993 -8.277 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.223 -1.071 -10.482 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.200 0.169 -11.214 1.00 14.76 H new ATOM 507 N ASP A 32 -5.386 -5.449 -8.687 1.00 10.93 N ATOM 508 CA ASP A 32 -5.319 -6.644 -9.494 1.00 14.01 C ATOM 509 C ASP A 32 -5.570 -7.898 -8.688 1.00 14.04 C ATOM 510 O ASP A 32 -6.422 -8.706 -9.063 1.00 13.39 O ATOM 511 CB ASP A 32 -3.917 -6.589 -10.231 1.00 18.01 C ATOM 512 CG ASP A 32 -3.620 -7.689 -11.176 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.530 -8.096 -11.984 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.491 -8.202 -11.109 1.00 26.29 O ATOM 0 H ASP A 32 -4.489 -4.970 -8.610 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.115 -6.683 -10.237 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.855 -5.647 -10.775 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.134 -6.571 -9.473 1.00 18.01 H new ATOM 519 N LYS A 33 -4.768 -8.127 -7.617 1.00 14.22 N ATOM 520 CA LYS A 33 -4.904 -9.355 -6.809 1.00 14.00 C ATOM 521 C LYS A 33 -6.265 -9.461 -6.105 1.00 12.37 C ATOM 522 O LYS A 33 -6.936 -10.520 -6.241 1.00 12.17 O ATOM 523 CB LYS A 33 -3.728 -9.547 -5.813 1.00 18.62 C ATOM 524 CG LYS A 33 -2.277 -9.564 -6.498 1.00 24.00 C ATOM 525 CD LYS A 33 -1.231 -10.126 -5.523 1.00 27.61 C ATOM 526 CE LYS A 33 0.267 -9.974 -5.980 1.00 27.64 C ATOM 527 NZ LYS A 33 0.420 -10.804 -7.164 1.00 30.06 N ATOM 0 H LYS A 33 -4.037 -7.489 -7.302 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.857 -10.179 -7.521 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.759 -8.746 -5.074 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.873 -10.483 -5.274 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.302 -10.170 -7.403 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.998 -8.554 -6.798 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.352 -9.629 -4.561 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.439 -11.184 -5.364 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.502 -8.933 -6.202 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.948 -10.293 -5.191 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.420 -10.820 -7.450 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.105 -11.772 -6.952 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.155 -10.414 -7.938 1.00 30.06 H new ATOM 541 N GLU A 34 -6.732 -8.382 -5.419 1.00 10.11 N ATOM 542 CA GLU A 34 -7.914 -8.517 -4.597 1.00 10.07 C ATOM 543 C GLU A 34 -9.097 -7.732 -5.103 1.00 9.32 C ATOM 544 O GLU A 34 -10.209 -7.881 -4.577 1.00 11.61 O ATOM 545 CB GLU A 34 -7.659 -8.014 -3.215 1.00 14.77 C ATOM 546 CG GLU A 34 -6.703 -8.878 -2.411 1.00 18.75 C ATOM 547 CD GLU A 34 -7.434 -10.142 -1.858 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.148 -10.038 -0.889 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.218 -11.270 -2.370 1.00 25.19 O ATOM 0 H GLU A 34 -6.311 -7.453 -5.431 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.142 -9.583 -4.621 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.256 -7.003 -3.276 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.608 -7.947 -2.683 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.865 -9.182 -3.038 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.290 -8.300 -1.584 1.00 18.75 H new ATOM 556 N GLY A 35 -8.970 -6.901 -6.108 1.00 7.22 N ATOM 557 CA GLY A 35 -10.146 -6.225 -6.656 1.00 6.29 C ATOM 558 C GLY A 35 -10.666 -5.045 -5.966 1.00 6.93 C ATOM 559 O GLY A 35 -11.836 -4.666 -5.943 1.00 7.41 O ATOM 0 H GLY A 35 -8.087 -6.672 -6.564 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.911 -5.932 -7.679 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.952 -6.957 -6.711 1.00 6.29 H new ATOM 563 N ILE A 36 -9.738 -4.397 -5.163 1.00 5.86 N ATOM 564 CA ILE A 36 -9.958 -3.226 -4.430 1.00 6.07 C ATOM 565 C ILE A 36 -9.677 -1.950 -5.211 1.00 6.36 C ATOM 566 O ILE A 36 -8.518 -1.846 -5.656 1.00 6.18 O ATOM 567 CB ILE A 36 -9.119 -3.176 -3.139 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.209 -4.535 -2.483 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.634 -2.060 -2.221 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.529 -4.694 -1.153 1.00 9.49 C ATOM 0 H ILE A 36 -8.788 -4.751 -5.050 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.021 -3.266 -4.191 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.075 -2.949 -3.355 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.263 -4.782 -2.357 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -8.789 -5.271 -3.169 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.035 -2.032 -1.311 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.558 -1.102 -2.735 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.676 -2.252 -1.964 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.669 -5.713 -0.792 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.464 -4.491 -1.262 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.960 -3.994 -0.438 1.00 9.49 H new ATOM 582 N PRO A 37 -10.514 -0.957 -5.545 1.00 8.65 N ATOM 583 CA PRO A 37 -10.059 0.278 -6.218 1.00 9.18 C ATOM 584 C PRO A 37 -8.963 1.168 -5.537 1.00 9.85 C ATOM 585 O PRO A 37 -8.956 1.168 -4.305 1.00 8.51 O ATOM 586 CB PRO A 37 -11.342 1.076 -6.425 1.00 11.42 C ATOM 587 CG PRO A 37 -12.458 0.002 -6.336 1.00 9.27 C ATOM 588 CD PRO A 37 -11.902 -0.991 -5.295 1.00 8.33 C ATOM 0 HA PRO A 37 -9.523 -0.027 -7.117 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.464 1.845 -5.662 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.348 1.582 -7.391 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.407 0.432 -6.017 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.633 -0.478 -7.299 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.138 -0.684 -4.276 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.313 -1.991 -5.429 1.00 8.33 H new ATOM 596 N PRO A 38 -8.003 1.859 -6.098 1.00 8.71 N ATOM 597 CA PRO A 38 -7.154 2.867 -5.454 1.00 9.08 C ATOM 598 C PRO A 38 -7.892 3.874 -4.599 1.00 9.28 C ATOM 599 O PRO A 38 -7.360 4.148 -3.506 1.00 6.50 O ATOM 600 CB PRO A 38 -6.338 3.479 -6.591 1.00 10.31 C ATOM 601 CG PRO A 38 -6.240 2.412 -7.666 1.00 10.81 C ATOM 602 CD PRO A 38 -7.544 1.590 -7.447 1.00 12.00 C ATOM 0 HA PRO A 38 -6.509 2.408 -4.705 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.821 4.377 -6.977 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.348 3.774 -6.244 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.197 2.846 -8.665 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.348 1.797 -7.547 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.304 1.874 -8.175 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.354 0.525 -7.583 1.00 12.00 H new ATOM 610 N ASP A 39 -9.109 4.385 -5.000 1.00 11.20 N ATOM 611 CA ASP A 39 -9.902 5.329 -4.200 1.00 14.96 C ATOM 612 C ASP A 39 -10.669 4.701 -3.043 1.00 13.99 C ATOM 613 O ASP A 39 -11.322 5.380 -2.247 1.00 13.75 O ATOM 614 CB ASP A 39 -10.851 6.122 -5.114 1.00 24.16 C ATOM 615 CG ASP A 39 -10.118 7.065 -6.064 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.346 7.926 -5.569 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.301 6.952 -7.292 1.00 34.22 O ATOM 0 H ASP A 39 -9.546 4.140 -5.888 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.181 5.998 -3.729 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.452 5.424 -5.697 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.540 6.700 -4.498 1.00 24.16 H new ATOM 622 N GLN A 40 -10.564 3.339 -2.945 1.00 11.60 N ATOM 623 CA GLN A 40 -11.069 2.682 -1.781 1.00 10.76 C ATOM 624 C GLN A 40 -9.926 2.277 -0.881 1.00 8.01 C ATOM 625 O GLN A 40 -10.089 1.527 0.058 1.00 8.96 O ATOM 626 CB GLN A 40 -11.881 1.426 -2.199 1.00 11.14 C ATOM 627 CG GLN A 40 -13.316 1.787 -2.611 1.00 14.85 C ATOM 628 CD GLN A 40 -14.135 0.521 -2.892 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.738 -0.599 -2.567 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.289 0.673 -3.566 1.00 18.16 N ATOM 0 H GLN A 40 -10.146 2.730 -3.648 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.721 3.367 -1.239 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.379 0.928 -3.028 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.908 0.718 -1.371 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.792 2.366 -1.819 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.297 2.418 -3.500 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.607 1.606 -3.829 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.846 -0.145 -3.814 1.00 18.16 H new ATOM 639 N GLN A 41 -8.660 2.713 -1.047 1.00 6.52 N ATOM 640 CA GLN A 41 -7.521 2.327 -0.243 1.00 3.87 C ATOM 641 C GLN A 41 -6.909 3.556 0.425 1.00 4.79 C ATOM 642 O GLN A 41 -6.643 4.601 -0.202 1.00 6.34 O ATOM 643 CB GLN A 41 -6.423 1.628 -1.051 1.00 4.20 C ATOM 644 CG GLN A 41 -6.866 0.298 -1.734 1.00 3.20 C ATOM 645 CD GLN A 41 -5.763 -0.136 -2.594 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.641 -0.418 -2.161 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.035 -0.282 -3.948 1.00 7.13 N ATOM 0 H GLN A 41 -8.411 3.373 -1.783 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.899 1.622 0.497 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.063 2.313 -1.819 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.581 1.419 -0.391 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.092 -0.462 -0.986 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.773 0.450 -2.319 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.960 -0.050 -4.310 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.310 -0.621 -4.580 1.00 7.13 H new ATOM 656 N ARG A 42 -6.660 3.421 1.687 1.00 5.73 N ATOM 657 CA ARG A 42 -5.784 4.254 2.458 1.00 6.97 C ATOM 658 C ARG A 42 -4.652 3.384 3.045 1.00 7.15 C ATOM 659 O ARG A 42 -4.891 2.277 3.549 1.00 7.33 O ATOM 660 CB ARG A 42 -6.483 4.920 3.622 1.00 13.23 C ATOM 661 CG ARG A 42 -7.157 6.240 3.162 1.00 21.27 C ATOM 662 CD ARG A 42 -7.201 7.407 4.169 1.00 26.14 C ATOM 663 NE ARG A 42 -8.019 8.515 3.529 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.290 8.789 3.866 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.081 7.930 4.494 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.839 9.970 3.543 1.00 36.39 N ATOM 0 H ARG A 42 -7.087 2.682 2.245 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.411 5.027 1.786 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.233 4.247 4.038 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.765 5.128 4.416 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.640 6.587 2.267 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.181 6.010 2.869 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.652 7.089 5.109 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.194 7.755 4.400 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.579 9.082 2.804 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.732 7.006 4.746 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.039 8.194 4.725 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.291 10.666 3.038 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.805 10.171 3.802 1.00 36.39 H new ATOM 680 N LEU A 43 -3.376 3.882 2.961 1.00 4.65 N ATOM 681 CA LEU A 43 -2.189 3.036 3.314 1.00 3.51 C ATOM 682 C LEU A 43 -1.351 3.728 4.307 1.00 5.56 C ATOM 683 O LEU A 43 -1.261 4.980 4.244 1.00 4.19 O ATOM 684 CB LEU A 43 -1.371 2.798 2.015 1.00 3.74 C ATOM 685 CG LEU A 43 -2.203 1.996 1.002 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.252 1.773 -0.154 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.714 0.640 1.475 1.00 6.41 C ATOM 0 H LEU A 43 -3.149 4.831 2.663 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.516 2.088 3.741 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.079 3.754 1.581 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.452 2.260 2.249 1.00 3.74 H new ATOM 0 HG LEU A 43 -3.111 2.556 0.778 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.756 1.204 -0.935 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.933 2.736 -0.554 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.381 1.218 0.194 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.287 0.168 0.676 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.869 0.005 1.740 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.353 0.776 2.348 1.00 6.41 H new ATOM 699 N ILE A 44 -0.831 2.964 5.263 1.00 4.58 N ATOM 700 CA ILE A 44 -0.060 3.474 6.356 1.00 5.55 C ATOM 701 C ILE A 44 1.106 2.605 6.674 1.00 5.46 C ATOM 702 O ILE A 44 1.001 1.384 6.798 1.00 6.04 O ATOM 703 CB ILE A 44 -0.924 3.585 7.647 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.365 3.985 7.366 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.274 4.444 8.702 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.347 4.034 8.511 1.00 13.90 C ATOM 0 H ILE A 44 -0.946 1.951 5.286 1.00 4.58 H new ATOM 0 HA ILE A 44 0.291 4.457 6.040 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.975 2.578 8.062 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.348 4.972 6.904 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.760 3.292 6.623 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.917 4.489 9.581 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.689 4.015 8.978 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.124 5.450 8.310 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.326 4.336 8.138 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.422 3.048 8.969 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.004 4.754 9.254 1.00 13.90 H new ATOM 718 N PHE A 45 2.243 3.222 6.886 1.00 6.75 N ATOM 719 CA PHE A 45 3.426 2.510 7.388 1.00 4.70 C ATOM 720 C PHE A 45 4.195 3.462 8.172 1.00 6.34 C ATOM 721 O PHE A 45 4.347 4.564 7.718 1.00 5.45 O ATOM 722 CB PHE A 45 4.239 1.961 6.132 1.00 5.51 C ATOM 723 CG PHE A 45 5.570 1.313 6.456 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.615 -0.005 6.857 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.735 2.083 6.296 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.877 -0.629 7.015 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.008 1.482 6.560 1.00 6.64 C ATOM 728 CZ PHE A 45 8.049 0.103 6.861 1.00 6.84 C ATOM 0 H PHE A 45 2.389 4.218 6.723 1.00 6.75 H new ATOM 0 HA PHE A 45 3.175 1.658 8.020 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.618 1.235 5.607 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.414 2.788 5.443 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.704 -0.553 7.047 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.671 3.113 5.978 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.929 -1.680 7.257 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.914 2.069 6.530 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.004 -0.390 6.973 1.00 6.84 H new ATOM 738 N ALA A 46 4.628 3.031 9.372 1.00 6.53 N ATOM 739 CA ALA A 46 5.604 3.734 10.180 1.00 7.15 C ATOM 740 C ALA A 46 5.097 5.010 10.827 1.00 9.00 C ATOM 741 O ALA A 46 5.819 6.037 10.898 1.00 11.15 O ATOM 742 CB ALA A 46 6.981 3.932 9.443 1.00 8.99 C ATOM 0 H ALA A 46 4.295 2.168 9.802 1.00 6.53 H new ATOM 0 HA ALA A 46 5.790 3.062 11.018 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.671 4.464 10.098 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.401 2.959 9.188 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.826 4.510 8.532 1.00 8.99 H new ATOM 748 N GLY A 47 3.786 5.047 11.227 1.00 9.35 N ATOM 749 CA GLY A 47 3.120 6.225 11.817 1.00 11.68 C ATOM 750 C GLY A 47 2.526 7.167 10.792 1.00 11.14 C ATOM 751 O GLY A 47 1.953 8.205 11.094 1.00 13.93 O ATOM 0 H GLY A 47 3.166 4.241 11.141 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.330 5.886 12.487 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.841 6.772 12.425 1.00 11.68 H new ATOM 755 N LYS A 48 2.750 6.790 9.496 1.00 10.47 N ATOM 756 CA LYS A 48 2.540 7.755 8.412 1.00 8.82 C ATOM 757 C LYS A 48 1.643 7.245 7.294 1.00 7.68 C ATOM 758 O LYS A 48 1.823 6.141 6.817 1.00 6.47 O ATOM 759 CB LYS A 48 3.910 8.152 7.724 1.00 9.74 C ATOM 760 CG LYS A 48 4.877 8.738 8.724 1.00 14.14 C ATOM 761 CD LYS A 48 6.060 9.268 7.940 1.00 16.32 C ATOM 762 CE LYS A 48 7.218 9.761 8.849 1.00 20.04 C ATOM 763 NZ LYS A 48 8.225 10.594 8.160 1.00 23.92 N ATOM 0 H LYS A 48 3.062 5.864 9.202 1.00 10.47 H new ATOM 0 HA LYS A 48 2.062 8.603 8.903 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.354 7.272 7.258 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.724 8.874 6.929 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.404 9.537 9.295 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.197 7.981 9.440 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.432 8.484 7.280 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.729 10.090 7.305 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.796 10.333 9.676 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.717 8.894 9.283 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.961 10.880 8.837 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.658 10.048 7.388 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.766 11.441 7.769 1.00 23.92 H new ATOM 777 N GLN A 49 0.580 8.028 6.906 1.00 8.89 N ATOM 778 CA GLN A 49 -0.160 7.975 5.680 1.00 7.18 C ATOM 779 C GLN A 49 0.750 8.115 4.429 1.00 8.23 C ATOM 780 O GLN A 49 1.702 8.892 4.509 1.00 9.70 O ATOM 781 CB GLN A 49 -1.343 9.010 5.592 1.00 11.67 C ATOM 782 CG GLN A 49 -0.873 10.476 5.462 1.00 15.82 C ATOM 783 CD GLN A 49 -1.975 11.436 5.486 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.727 11.649 4.484 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.217 12.127 6.626 1.00 20.67 N ATOM 0 H GLN A 49 0.223 8.758 7.522 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.605 6.980 5.687 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.970 8.761 4.736 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.966 8.914 6.482 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -0.183 10.703 6.275 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -0.318 10.592 4.531 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -1.631 11.978 7.447 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -2.986 12.796 6.663 1.00 20.67 H new ATOM 794 N LEU A 50 0.519 7.349 3.360 1.00 6.51 N ATOM 795 CA LEU A 50 1.418 7.269 2.234 1.00 7.41 C ATOM 796 C LEU A 50 0.832 7.882 0.922 1.00 8.27 C ATOM 797 O LEU A 50 -0.289 7.556 0.517 1.00 8.34 O ATOM 798 CB LEU A 50 1.832 5.783 1.848 1.00 7.13 C ATOM 799 CG LEU A 50 2.394 4.928 2.983 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.852 3.554 2.529 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.612 5.518 3.706 1.00 9.11 C ATOM 0 H LEU A 50 -0.311 6.764 3.263 1.00 6.51 H new ATOM 0 HA LEU A 50 2.279 7.837 2.587 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.957 5.278 1.438 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.575 5.829 1.052 1.00 7.13 H new ATOM 0 HG LEU A 50 1.537 4.882 3.655 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.240 2.999 3.383 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.009 3.014 2.098 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.636 3.661 1.780 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.934 4.836 4.493 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.425 5.659 2.994 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.344 6.479 4.146 1.00 9.11 H new ATOM 813 N GLU A 51 1.599 8.763 0.262 1.00 9.43 N ATOM 814 CA GLU A 51 1.149 9.501 -0.876 1.00 11.90 C ATOM 815 C GLU A 51 1.574 8.869 -2.202 1.00 11.49 C ATOM 816 O GLU A 51 2.604 8.261 -2.444 1.00 9.88 O ATOM 817 CB GLU A 51 1.677 10.933 -0.823 1.00 16.56 C ATOM 818 CG GLU A 51 1.299 11.671 0.436 1.00 26.06 C ATOM 819 CD GLU A 51 1.586 13.171 0.349 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.086 13.805 -0.573 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.179 13.757 1.325 1.00 32.13 O ATOM 0 H GLU A 51 2.562 8.969 0.527 1.00 9.43 H new ATOM 0 HA GLU A 51 0.060 9.492 -0.834 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.763 10.914 -0.910 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.298 11.483 -1.684 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.239 11.519 0.637 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.847 11.249 1.278 1.00 26.06 H new ATOM 828 N ASP A 52 0.592 9.046 -3.150 1.00 12.71 N ATOM 829 CA ASP A 52 0.478 8.281 -4.356 1.00 16.56 C ATOM 830 C ASP A 52 1.712 8.413 -5.209 1.00 15.83 C ATOM 831 O ASP A 52 2.359 7.426 -5.605 1.00 17.21 O ATOM 832 CB ASP A 52 -0.711 8.727 -5.132 1.00 21.05 C ATOM 833 CG ASP A 52 -2.000 8.566 -4.304 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.330 7.355 -3.982 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.664 9.536 -3.950 1.00 28.37 O ATOM 0 H ASP A 52 -0.139 9.751 -3.055 1.00 12.71 H new ATOM 0 HA ASP A 52 0.364 7.234 -4.076 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.589 9.770 -5.424 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.789 8.146 -6.051 1.00 21.05 H new ATOM 840 N GLY A 53 2.268 9.618 -5.491 1.00 15.00 N ATOM 841 CA GLY A 53 3.444 9.817 -6.386 1.00 11.77 C ATOM 842 C GLY A 53 4.881 9.617 -5.781 1.00 11.10 C ATOM 843 O GLY A 53 5.955 9.750 -6.354 1.00 11.25 O ATOM 0 H GLY A 53 1.911 10.490 -5.101 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.340 9.134 -7.229 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.390 10.829 -6.787 1.00 11.77 H new ATOM 847 N ARG A 54 4.867 9.229 -4.509 1.00 8.53 N ATOM 848 CA ARG A 54 6.081 8.888 -3.795 1.00 9.05 C ATOM 849 C ARG A 54 6.389 7.391 -3.974 1.00 8.96 C ATOM 850 O ARG A 54 5.499 6.513 -4.099 1.00 11.60 O ATOM 851 CB ARG A 54 5.925 9.022 -2.319 1.00 7.97 C ATOM 852 CG ARG A 54 5.495 10.488 -2.023 1.00 9.62 C ATOM 853 CD ARG A 54 6.612 11.497 -2.146 1.00 12.20 C ATOM 854 NE ARG A 54 5.971 12.822 -1.759 1.00 18.23 N ATOM 855 CZ ARG A 54 6.714 13.842 -1.285 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.058 13.767 -1.200 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.127 14.955 -0.836 1.00 23.38 N ATOM 0 H ARG A 54 4.017 9.144 -3.952 1.00 8.53 H new ATOM 0 HA ARG A 54 6.847 9.556 -4.189 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.177 8.321 -1.948 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.861 8.788 -1.812 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.693 10.765 -2.707 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.085 10.538 -1.014 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.444 11.251 -1.486 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.008 11.529 -3.161 1.00 12.20 H new ATOM 0 HE ARG A 54 4.963 12.940 -1.860 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.541 12.920 -1.499 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.591 14.557 -0.837 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.110 15.037 -0.850 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.695 15.723 -0.479 1.00 23.38 H new ATOM 871 N THR A 55 7.681 7.105 -4.044 1.00 9.05 N ATOM 872 CA THR A 55 8.217 5.786 -4.211 1.00 9.03 C ATOM 873 C THR A 55 8.294 4.910 -2.895 1.00 8.15 C ATOM 874 O THR A 55 8.153 5.424 -1.766 1.00 5.91 O ATOM 875 CB THR A 55 9.628 5.747 -4.864 1.00 11.15 C ATOM 876 OG1 THR A 55 10.661 6.434 -4.137 1.00 11.95 O ATOM 877 CG2 THR A 55 9.478 6.279 -6.325 1.00 11.71 C ATOM 0 H THR A 55 8.403 7.823 -3.982 1.00 9.05 H new ATOM 0 HA THR A 55 7.477 5.351 -4.883 1.00 9.03 H new ATOM 0 HB THR A 55 9.977 4.714 -4.852 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.510 6.355 -4.621 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.450 6.267 -6.818 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.784 5.643 -6.875 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.095 7.299 -6.303 1.00 11.71 H new ATOM 885 N LEU A 56 8.553 3.537 -2.999 1.00 6.91 N ATOM 886 CA LEU A 56 8.914 2.689 -1.872 1.00 8.29 C ATOM 887 C LEU A 56 10.162 3.169 -1.183 1.00 8.05 C ATOM 888 O LEU A 56 10.240 3.117 0.018 1.00 10.17 O ATOM 889 CB LEU A 56 9.001 1.245 -2.330 1.00 6.60 C ATOM 890 CG LEU A 56 7.658 0.674 -2.823 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.779 -0.755 -3.206 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.482 1.032 -1.865 1.00 8.64 C ATOM 0 H LEU A 56 8.505 3.032 -3.884 1.00 6.91 H new ATOM 0 HA LEU A 56 8.132 2.750 -1.116 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.735 1.170 -3.133 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.367 0.632 -1.506 1.00 6.60 H new ATOM 0 HG LEU A 56 7.385 1.172 -3.753 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.812 -1.123 -3.549 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.510 -0.856 -4.008 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.104 -1.337 -2.343 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.555 0.609 -2.253 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.682 0.622 -0.875 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.385 2.116 -1.797 1.00 8.64 H new ATOM 904 N SER A 57 11.198 3.617 -1.947 1.00 8.92 N ATOM 905 CA SER A 57 12.461 4.182 -1.543 1.00 9.00 C ATOM 906 C SER A 57 12.306 5.459 -0.761 1.00 9.44 C ATOM 907 O SER A 57 12.982 5.718 0.241 1.00 10.91 O ATOM 908 CB SER A 57 13.422 4.394 -2.806 1.00 10.32 C ATOM 909 OG SER A 57 14.765 4.772 -2.428 1.00 13.59 O ATOM 0 H SER A 57 11.133 3.574 -2.964 1.00 8.92 H new ATOM 0 HA SER A 57 12.925 3.461 -0.870 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.458 3.473 -3.388 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.001 5.164 -3.453 1.00 10.32 H new ATOM 0 HG SER A 57 15.311 4.888 -3.233 1.00 13.59 H new ATOM 915 N ASP A 58 11.396 6.350 -1.136 1.00 9.11 N ATOM 916 CA ASP A 58 11.068 7.548 -0.479 1.00 7.91 C ATOM 917 C ASP A 58 10.588 7.397 0.943 1.00 9.12 C ATOM 918 O ASP A 58 10.755 8.340 1.686 1.00 8.61 O ATOM 919 CB ASP A 58 9.923 8.340 -1.146 1.00 8.41 C ATOM 920 CG ASP A 58 10.288 9.027 -2.421 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.349 9.742 -2.446 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.556 8.850 -3.472 1.00 11.70 O ATOM 0 H ASP A 58 10.840 6.214 -1.980 1.00 9.11 H new ATOM 0 HA ASP A 58 12.029 8.059 -0.529 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.096 7.657 -1.343 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.559 9.087 -0.440 1.00 8.41 H new ATOM 927 N TYR A 59 10.074 6.254 1.290 1.00 7.97 N ATOM 928 CA TYR A 59 9.472 5.905 2.611 1.00 8.45 C ATOM 929 C TYR A 59 10.302 4.890 3.302 1.00 10.98 C ATOM 930 O TYR A 59 9.917 4.497 4.408 1.00 12.95 O ATOM 931 CB TYR A 59 8.093 5.336 2.263 1.00 7.94 C ATOM 932 CG TYR A 59 7.068 6.462 2.162 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.789 7.262 3.243 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.329 6.485 0.991 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.793 8.285 3.058 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.337 7.448 0.852 1.00 6.52 C ATOM 937 CZ TYR A 59 5.094 8.368 1.843 1.00 6.76 C ATOM 938 OH TYR A 59 4.178 9.409 1.636 1.00 7.63 O ATOM 0 H TYR A 59 10.046 5.468 0.640 1.00 7.97 H new ATOM 0 HA TYR A 59 9.406 6.761 3.283 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.143 4.794 1.319 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.784 4.620 3.025 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.294 7.130 4.189 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.519 5.771 0.204 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.584 8.987 3.852 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.746 7.474 -0.052 1.00 6.52 H new ATOM 0 HH TYR A 59 4.597 10.111 1.095 1.00 7.63 H new ATOM 948 N ASN A 60 11.417 4.488 2.741 1.00 12.38 N ATOM 949 CA ASN A 60 12.317 3.543 3.290 1.00 13.94 C ATOM 950 C ASN A 60 11.740 2.147 3.533 1.00 14.16 C ATOM 951 O ASN A 60 11.923 1.568 4.604 1.00 14.26 O ATOM 952 CB ASN A 60 13.101 4.065 4.560 1.00 19.23 C ATOM 953 CG ASN A 60 13.883 5.226 4.121 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.388 6.361 4.212 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.095 4.939 3.529 1.00 24.09 N ATOM 0 H ASN A 60 11.725 4.842 1.835 1.00 12.38 H new ATOM 0 HA ASN A 60 13.042 3.424 2.485 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.409 4.342 5.356 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.752 3.288 4.960 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.655 5.689 3.125 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.431 3.977 3.496 1.00 24.09 H new ATOM 962 N ILE A 61 10.889 1.739 2.555 1.00 11.08 N ATOM 963 CA ILE A 61 10.185 0.449 2.734 1.00 11.78 C ATOM 964 C ILE A 61 11.035 -0.684 2.201 1.00 13.74 C ATOM 965 O ILE A 61 11.418 -0.727 1.031 1.00 14.60 O ATOM 966 CB ILE A 61 8.805 0.431 2.065 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.895 1.499 2.739 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.118 -0.942 2.272 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.609 1.889 1.986 1.00 11.42 C ATOM 0 H ILE A 61 10.685 2.245 1.693 1.00 11.08 H new ATOM 0 HA ILE A 61 10.023 0.318 3.804 1.00 11.78 H new ATOM 0 HB ILE A 61 8.941 0.631 1.002 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.613 1.132 3.726 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.486 2.402 2.892 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.140 -0.936 1.790 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.734 -1.727 1.833 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.996 -1.131 3.339 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.065 2.639 2.560 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.869 2.297 1.009 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.982 1.007 1.856 1.00 11.42 H new ATOM 981 N GLN A 62 11.414 -1.648 3.140 1.00 13.97 N ATOM 982 CA GLN A 62 12.342 -2.738 2.856 1.00 15.52 C ATOM 983 C GLN A 62 11.701 -4.019 2.713 1.00 13.94 C ATOM 984 O GLN A 62 10.509 -4.185 2.996 1.00 12.15 O ATOM 985 CB GLN A 62 13.474 -2.931 3.931 1.00 19.53 C ATOM 986 CG GLN A 62 13.092 -3.266 5.356 1.00 26.38 C ATOM 987 CD GLN A 62 12.835 -1.956 6.149 1.00 30.61 C ATOM 988 OE1 GLN A 62 13.744 -1.132 6.277 1.00 33.23 O ATOM 989 NE2 GLN A 62 11.606 -1.809 6.757 1.00 32.71 N ATOM 0 H GLN A 62 11.063 -1.654 4.098 1.00 13.97 H new ATOM 0 HA GLN A 62 12.780 -2.416 1.912 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.133 -3.722 3.574 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.062 -2.013 3.956 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.199 -3.890 5.366 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.888 -3.840 5.831 1.00 26.38 H new ATOM 0 HE21 GLN A 62 10.883 -2.516 6.623 1.00 32.71 H new ATOM 0 HE22 GLN A 62 11.420 -0.993 7.340 1.00 32.71 H new ATOM 998 N LYS A 63 12.430 -4.991 2.203 1.00 11.73 N ATOM 999 CA LYS A 63 12.053 -6.359 2.170 1.00 11.97 C ATOM 1000 C LYS A 63 11.286 -7.008 3.350 1.00 10.41 C ATOM 1001 O LYS A 63 11.595 -6.988 4.542 1.00 9.59 O ATOM 1002 CB LYS A 63 13.286 -7.201 1.825 1.00 13.73 C ATOM 1003 CG LYS A 63 14.438 -7.196 2.905 1.00 16.98 C ATOM 1004 CD LYS A 63 15.788 -7.749 2.378 1.00 20.19 C ATOM 1005 CE LYS A 63 15.626 -9.215 2.036 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.960 -9.676 1.647 1.00 25.97 N ATOM 0 H LYS A 63 13.344 -4.822 1.783 1.00 11.73 H new ATOM 0 HA LYS A 63 11.272 -6.353 1.410 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.967 -8.231 1.664 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.696 -6.843 0.881 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.587 -6.176 3.260 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.122 -7.789 3.763 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.104 -7.191 1.497 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.565 -7.623 3.132 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.250 -9.778 2.890 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.911 -9.352 1.224 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.920 -10.685 1.397 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.291 -9.129 0.827 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.619 -9.542 2.441 1.00 25.97 H new ATOM 1020 N GLU A 64 10.213 -7.700 3.045 1.00 10.04 N ATOM 1021 CA GLU A 64 9.405 -8.447 4.021 1.00 10.94 C ATOM 1022 C GLU A 64 8.722 -7.598 5.056 1.00 9.74 C ATOM 1023 O GLU A 64 8.330 -8.080 6.161 1.00 9.42 O ATOM 1024 CB GLU A 64 10.170 -9.755 4.532 1.00 18.31 C ATOM 1025 CG GLU A 64 10.568 -10.629 3.315 1.00 24.16 C ATOM 1026 CD GLU A 64 11.168 -11.911 3.791 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.591 -12.778 4.494 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.393 -12.106 3.442 1.00 31.72 O ATOM 0 H GLU A 64 9.857 -7.770 2.092 1.00 10.04 H new ATOM 0 HA GLU A 64 8.532 -8.835 3.496 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.059 -9.472 5.097 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.530 -10.323 5.208 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.692 -10.833 2.699 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.281 -10.093 2.688 1.00 24.16 H new ATOM 1035 N SER A 65 8.619 -6.280 4.766 1.00 6.85 N ATOM 1036 CA SER A 65 7.931 -5.333 5.629 1.00 6.90 C ATOM 1037 C SER A 65 6.451 -5.521 5.640 1.00 4.72 C ATOM 1038 O SER A 65 5.858 -5.798 4.608 1.00 3.91 O ATOM 1039 CB SER A 65 8.177 -3.888 5.183 1.00 7.28 C ATOM 1040 OG SER A 65 9.537 -3.587 5.414 1.00 10.56 O ATOM 0 H SER A 65 9.015 -5.859 3.925 1.00 6.85 H new ATOM 0 HA SER A 65 8.337 -5.521 6.623 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.934 -3.768 4.127 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.535 -3.203 5.738 1.00 7.28 H new ATOM 0 HG SER A 65 10.018 -3.573 4.561 1.00 10.56 H new ATOM 1046 N THR A 66 5.853 -5.366 6.824 1.00 4.48 N ATOM 1047 CA THR A 66 4.379 -5.414 6.991 1.00 3.80 C ATOM 1048 C THR A 66 3.959 -4.007 6.961 1.00 4.60 C ATOM 1049 O THR A 66 4.580 -3.215 7.681 1.00 5.33 O ATOM 1050 CB THR A 66 3.928 -6.040 8.317 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.251 -7.393 8.376 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.445 -6.061 8.371 1.00 3.40 C ATOM 0 H THR A 66 6.362 -5.205 7.693 1.00 4.48 H new ATOM 0 HA THR A 66 3.938 -6.035 6.211 1.00 3.80 H new ATOM 0 HB THR A 66 4.404 -5.459 9.107 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.953 -7.763 9.233 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.121 -6.505 9.312 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.064 -5.042 8.301 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.059 -6.651 7.540 1.00 3.40 H new ATOM 1060 N LEU A 67 2.992 -3.649 6.146 1.00 4.17 N ATOM 1061 CA LEU A 67 2.452 -2.306 5.947 1.00 3.85 C ATOM 1062 C LEU A 67 0.986 -2.509 6.244 1.00 3.80 C ATOM 1063 O LEU A 67 0.405 -3.605 6.224 1.00 5.54 O ATOM 1064 CB LEU A 67 2.656 -1.759 4.533 1.00 7.18 C ATOM 1065 CG LEU A 67 4.138 -1.514 4.050 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.804 -2.825 3.500 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.142 -0.523 2.893 1.00 11.66 C ATOM 0 H LEU A 67 2.521 -4.335 5.556 1.00 4.17 H new ATOM 0 HA LEU A 67 2.949 -1.567 6.575 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.185 -2.451 3.834 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.118 -0.814 4.458 1.00 7.18 H new ATOM 0 HG LEU A 67 4.690 -1.148 4.916 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.823 -2.608 3.179 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.824 -3.580 4.286 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.228 -3.198 2.653 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.167 -0.355 2.561 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.554 -0.925 2.068 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.708 0.421 3.221 1.00 11.66 H new ATOM 1079 N HIS A 68 0.280 -1.405 6.632 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.151 -1.470 7.020 1.00 4.17 C ATOM 1081 C HIS A 68 -2.164 -1.093 5.901 1.00 5.32 C ATOM 1082 O HIS A 68 -1.973 -0.177 5.119 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.455 -0.541 8.215 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.535 -0.741 9.256 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.658 -0.147 9.399 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.733 -1.537 10.361 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.166 -0.656 10.529 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.364 -1.484 11.169 1.00 16.30 N ATOM 0 H HIS A 68 0.681 -0.469 6.682 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.289 -2.523 7.265 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.421 0.499 7.890 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.466 -0.728 8.578 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.086 0.543 8.781 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.623 -2.116 10.558 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.154 -0.408 10.887 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.311 -1.853 5.815 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.349 -1.562 4.814 1.00 3.97 C ATOM 1098 C LEU A 69 -5.609 -1.103 5.502 1.00 5.07 C ATOM 1099 O LEU A 69 -6.258 -1.869 6.226 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.549 -2.858 3.944 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.804 -2.789 2.951 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.618 -1.704 1.921 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.048 -4.042 2.223 1.00 9.96 C ATOM 0 H LEU A 69 -3.517 -2.648 6.420 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.057 -0.748 4.151 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.646 -3.034 3.360 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.671 -3.714 4.608 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.659 -2.586 3.596 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.484 -1.678 1.259 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.515 -0.741 2.421 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.721 -1.907 1.337 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.912 -3.921 1.570 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.172 -4.291 1.623 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.240 -4.845 2.935 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.004 0.190 5.250 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.261 0.724 5.685 1.00 6.26 C ATOM 1117 C VAL A 70 -8.087 1.013 4.480 1.00 9.22 C ATOM 1118 O VAL A 70 -7.664 1.296 3.350 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.993 2.061 6.436 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.262 2.810 6.907 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.120 1.742 7.701 1.00 8.54 C ATOM 0 H VAL A 70 -5.430 0.859 4.736 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.774 0.018 6.339 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.497 2.718 5.722 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.974 3.728 7.419 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.881 3.055 6.044 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.826 2.175 7.590 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.918 2.664 8.246 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.657 1.049 8.348 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.178 1.291 7.389 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.387 0.753 4.503 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.252 1.001 3.416 1.00 16.06 C ATOM 1133 C LEU A 71 -10.901 2.409 3.486 1.00 18.09 C ATOM 1134 O LEU A 71 -11.142 2.973 4.603 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.266 -0.142 3.197 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.573 -1.558 3.158 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.583 -2.659 2.930 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.372 -1.645 2.234 1.00 19.57 C ATOM 0 H LEU A 71 -9.858 0.352 5.314 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.635 1.013 2.517 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.007 -0.125 3.996 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.801 0.024 2.262 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.146 -1.709 4.149 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.073 -3.622 2.908 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.315 -2.654 3.738 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.091 -2.496 1.979 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.958 -2.653 2.269 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.680 -1.415 1.214 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.614 -0.930 2.554 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.281 2.937 2.289 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.808 4.223 2.244 1.00 25.83 C ATOM 1152 C ARG A 72 -13.244 4.360 1.645 1.00 27.74 C ATOM 1153 O ARG A 72 -13.515 3.977 0.530 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.798 5.052 1.445 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.300 6.503 1.364 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.279 7.312 0.633 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.801 8.699 0.497 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.945 9.694 0.099 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.649 9.534 -0.136 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.437 10.937 0.007 1.00 35.02 N ATOM 0 H ARG A 72 -11.213 2.460 1.390 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.948 4.570 3.268 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.819 5.018 1.924 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.678 4.638 0.444 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.259 6.545 0.847 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.459 6.906 2.364 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.334 7.312 1.176 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.083 6.881 -0.349 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.780 8.906 0.697 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.220 8.616 -0.023 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.082 10.329 -0.430 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.416 11.116 0.230 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.832 11.705 -0.286 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.161 4.949 2.424 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.480 5.349 1.945 1.00 30.76 C ATOM 1176 C LEU A 73 -15.382 6.805 1.462 1.00 32.18 C ATOM 1177 O LEU A 73 -14.686 7.582 2.106 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.588 5.215 3.007 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.918 3.762 3.592 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.850 3.801 4.766 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.619 2.877 2.498 1.00 29.11 C ATOM 0 H LEU A 73 -14.002 5.160 3.409 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.766 4.676 1.137 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.321 5.857 3.847 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.507 5.616 2.579 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.958 3.349 3.902 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -18.035 2.786 5.117 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.400 4.386 5.568 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.793 4.259 4.467 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.837 1.892 2.911 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.548 3.353 2.186 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.958 2.771 1.637 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.197 7.227 0.428 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.309 8.582 -0.172 1.00 35.33 C ATOM 1195 C ARG A 74 -16.535 9.681 0.920 1.00 36.22 C ATOM 1196 O ARG A 74 -15.900 10.773 0.941 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.435 8.594 -1.172 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.283 7.813 -2.488 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.162 8.418 -3.314 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.948 7.551 -4.528 1.00 41.13 N ATOM 1201 CZ ARG A 74 -15.036 7.793 -5.456 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.138 8.758 -5.378 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.871 6.892 -6.465 1.00 41.93 N ATOM 0 H ARG A 74 -16.831 6.571 -0.028 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.370 8.814 -0.675 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.324 8.216 -0.668 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.633 9.634 -1.430 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.068 6.765 -2.278 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.217 7.841 -3.049 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.417 9.435 -3.614 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.247 8.479 -2.725 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.541 6.729 -4.641 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -14.119 9.373 -4.564 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.463 8.888 -6.131 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -15.445 6.049 -6.495 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -14.173 7.060 -7.190 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.432 9.372 1.916 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.740 10.228 3.032 1.00 36.07 C ATOM 1219 C GLY A 75 -16.740 10.349 4.198 1.00 36.16 C ATOM 1220 O GLY A 75 -16.966 11.171 5.087 1.00 36.26 O ATOM 0 H GLY A 75 -17.952 8.494 1.931 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.904 11.231 2.638 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.689 9.890 3.450 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.635 9.548 4.194 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.657 9.643 5.341 1.00 36.19 C ATOM 1226 C GLY A 76 -13.173 9.554 5.011 1.00 36.20 C ATOM 1227 O GLY A 76 -12.556 8.488 5.335 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.522 10.549 4.513 1.00 0.00 O ATOM 0 H GLY A 76 -15.400 8.871 3.468 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.831 10.589 5.854 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.892 8.849 6.050 1.00 36.19 H new TER 1232 GLY A 76