USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 126:sc= 0.301 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.287 USER MOD Set 2.1: A 7 THR OG1 : rot 115:sc= 0.549 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0385 USER MOD Single : A 1 MET CE :methyl -177:sc= -0.0839 (180deg=-0.123) USER MOD Single : A 1 MET N :NH3+ 174:sc= 2.44 (180deg=2.34) 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+ -98:sc= -0.902 (180deg=-1.82!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0912 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 22 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 25 ASN : amide:sc= 0.42 X(o=0.42,f=-0.074) USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 1.19 (180deg=1.12) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 1.29 (180deg=1.29) USER MOD Single : A 31 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 41 GLN : amide:sc= 0.873 K(o=0.87,f=-4.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.559 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 62 GLN : amide:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -135:sc= 0.0506 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.106 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.164 -7.388 -5.310 1.00 9.67 N ATOM 2 CA MET A 1 11.261 -7.768 -3.896 1.00 10.38 C ATOM 3 C MET A 1 9.944 -8.137 -3.368 1.00 9.62 C ATOM 4 O MET A 1 8.955 -7.652 -3.867 1.00 9.62 O ATOM 5 CB MET A 1 11.981 -6.721 -3.033 1.00 13.77 C ATOM 6 CG MET A 1 11.267 -5.350 -2.793 1.00 16.29 C ATOM 7 SD MET A 1 12.221 -4.059 -1.903 1.00 17.17 S ATOM 8 CE MET A 1 10.695 -3.152 -1.525 1.00 16.11 C ATOM 0 H1 MET A 1 12.085 -7.034 -5.638 1.00 9.67 H new ATOM 0 H2 MET A 1 10.891 -8.218 -5.875 1.00 9.67 H new ATOM 0 H3 MET A 1 10.447 -6.643 -5.421 1.00 9.67 H new ATOM 0 HA MET A 1 11.897 -8.652 -3.843 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.178 -7.170 -2.059 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.948 -6.518 -3.492 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.973 -4.947 -3.762 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.350 -5.539 -2.235 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.941 -2.229 -1.001 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.173 -2.915 -2.452 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.053 -3.767 -0.895 1.00 16.11 H new ATOM 20 N GLN A 2 9.774 -8.980 -2.283 1.00 9.27 N ATOM 21 CA GLN A 2 8.513 -9.233 -1.705 1.00 9.07 C ATOM 22 C GLN A 2 8.155 -8.325 -0.558 1.00 8.72 C ATOM 23 O GLN A 2 9.080 -7.926 0.168 1.00 8.22 O ATOM 24 CB GLN A 2 8.499 -10.735 -1.350 1.00 14.46 C ATOM 25 CG GLN A 2 7.103 -11.260 -0.855 1.00 17.01 C ATOM 26 CD GLN A 2 7.160 -12.765 -0.626 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.366 -13.187 0.537 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.916 -13.584 -1.645 1.00 19.49 N ATOM 0 H GLN A 2 10.543 -9.473 -1.829 1.00 9.27 H new ATOM 0 HA GLN A 2 7.721 -9.000 -2.417 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.802 -11.308 -2.226 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.242 -10.922 -0.575 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.823 -10.754 0.069 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.335 -11.025 -1.592 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.753 -13.204 -2.577 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.892 -14.593 -1.494 1.00 19.49 H new ATOM 37 N ILE A 3 6.898 -8.016 -0.298 1.00 5.87 N ATOM 38 CA ILE A 3 6.480 -7.200 0.818 1.00 5.07 C ATOM 39 C ILE A 3 5.101 -7.592 1.273 1.00 4.01 C ATOM 40 O ILE A 3 4.431 -8.303 0.542 1.00 4.61 O ATOM 41 CB ILE A 3 6.534 -5.638 0.679 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.453 -5.062 -0.324 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.945 -5.206 0.256 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.352 -3.556 -0.276 1.00 10.83 C ATOM 0 H ILE A 3 6.121 -8.337 -0.876 1.00 5.87 H new ATOM 0 HA ILE A 3 7.257 -7.422 1.550 1.00 5.07 H new ATOM 0 HB ILE A 3 6.293 -5.221 1.657 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.704 -5.372 -1.338 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.480 -5.494 -0.090 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.980 -4.121 0.160 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.665 -5.527 1.009 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.194 -5.663 -0.702 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.595 -3.219 -0.985 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.073 -3.242 0.730 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.315 -3.118 -0.538 1.00 10.83 H new ATOM 56 N PHE A 4 4.701 -7.227 2.515 1.00 4.55 N ATOM 57 CA PHE A 4 3.460 -7.729 3.075 1.00 4.68 C ATOM 58 C PHE A 4 2.559 -6.578 3.404 1.00 5.30 C ATOM 59 O PHE A 4 2.963 -5.604 3.967 1.00 5.58 O ATOM 60 CB PHE A 4 3.636 -8.405 4.422 1.00 4.83 C ATOM 61 CG PHE A 4 4.592 -9.544 4.172 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.432 -10.575 3.292 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.788 -9.413 4.899 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.433 -11.552 3.167 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.812 -10.392 4.756 1.00 10.61 C ATOM 66 CZ PHE A 4 6.630 -11.438 3.840 1.00 8.90 C ATOM 0 H PHE A 4 5.222 -6.597 3.125 1.00 4.55 H new ATOM 0 HA PHE A 4 3.076 -8.423 2.327 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.035 -7.711 5.161 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.683 -8.768 4.808 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.536 -10.639 2.692 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.930 -8.573 5.563 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.261 -12.408 2.532 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.716 -10.330 5.344 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.423 -12.150 3.663 1.00 8.90 H new ATOM 76 N VAL A 5 1.243 -6.633 3.101 1.00 4.44 N ATOM 77 CA VAL A 5 0.277 -5.532 3.369 1.00 3.87 C ATOM 78 C VAL A 5 -0.858 -6.150 4.244 1.00 4.93 C ATOM 79 O VAL A 5 -1.492 -7.117 3.799 1.00 6.84 O ATOM 80 CB VAL A 5 -0.280 -4.834 2.138 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.045 -3.571 2.603 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.865 -4.420 1.190 1.00 9.13 C ATOM 0 H VAL A 5 0.813 -7.446 2.660 1.00 4.44 H new ATOM 0 HA VAL A 5 0.806 -4.727 3.879 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.945 -5.511 1.602 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.454 -3.053 1.735 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -1.858 -3.862 3.268 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.362 -2.907 3.133 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.450 -3.922 0.314 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.539 -3.739 1.709 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.416 -5.307 0.876 1.00 9.13 H new ATOM 92 N LYS A 6 -1.113 -5.595 5.455 1.00 6.04 N ATOM 93 CA LYS A 6 -2.135 -6.098 6.306 1.00 6.12 C ATOM 94 C LYS A 6 -3.427 -5.266 6.559 1.00 6.57 C ATOM 95 O LYS A 6 -3.377 -4.141 6.997 1.00 5.76 O ATOM 96 CB LYS A 6 -1.574 -6.387 7.722 1.00 7.45 C ATOM 97 CG LYS A 6 -0.722 -7.704 7.632 1.00 11.12 C ATOM 98 CD LYS A 6 -0.018 -8.227 8.901 1.00 14.54 C ATOM 99 CE LYS A 6 -0.939 -9.257 9.610 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.257 -9.878 10.743 1.00 20.55 N ATOM 0 H LYS A 6 -0.604 -4.797 5.834 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.444 -6.962 5.718 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.960 -5.556 8.068 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.386 -6.504 8.440 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.377 -8.496 7.269 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.043 -7.550 6.871 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.932 -8.692 8.638 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.207 -7.399 9.574 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.847 -8.761 9.955 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.245 -10.025 8.900 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.894 -10.562 11.199 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.596 -10.370 10.408 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.013 -9.145 11.430 1.00 20.55 H new ATOM 114 N THR A 7 -4.592 -5.873 6.213 1.00 7.41 N ATOM 115 CA THR A 7 -5.944 -5.182 6.391 1.00 7.48 C ATOM 116 C THR A 7 -6.300 -5.036 7.854 1.00 8.75 C ATOM 117 O THR A 7 -5.813 -5.661 8.787 1.00 8.58 O ATOM 118 CB THR A 7 -7.113 -5.730 5.586 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.539 -6.991 6.050 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.723 -5.851 4.132 1.00 9.17 C ATOM 0 H THR A 7 -4.648 -6.812 5.819 1.00 7.41 H new ATOM 0 HA THR A 7 -5.780 -4.199 5.949 1.00 7.48 H new ATOM 0 HB THR A 7 -7.939 -5.029 5.705 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.447 -6.917 6.411 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.564 -6.244 3.561 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.449 -4.869 3.746 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.873 -6.527 4.038 1.00 9.17 H new ATOM 128 N LEU A 8 -7.233 -4.107 8.179 1.00 9.84 N ATOM 129 CA LEU A 8 -7.763 -3.880 9.544 1.00 14.15 C ATOM 130 C LEU A 8 -8.453 -5.108 10.098 1.00 17.37 C ATOM 131 O LEU A 8 -8.262 -5.407 11.297 1.00 17.01 O ATOM 132 CB LEU A 8 -8.759 -2.670 9.586 1.00 16.63 C ATOM 133 CG LEU A 8 -9.499 -2.436 10.917 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.571 -2.020 12.086 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.524 -1.349 10.627 1.00 18.59 C ATOM 0 H LEU A 8 -7.645 -3.483 7.485 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.898 -3.653 10.167 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.206 -1.764 9.339 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.503 -2.813 8.802 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.954 -3.368 11.253 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.165 -1.874 12.988 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.833 -2.803 12.261 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.061 -1.090 11.833 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.089 -1.131 11.533 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.013 -0.447 10.292 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.205 -1.690 9.848 1.00 18.59 H new ATOM 147 N THR A 9 -9.172 -5.792 9.210 1.00 18.33 N ATOM 148 CA THR A 9 -9.861 -7.028 9.494 1.00 19.24 C ATOM 149 C THR A 9 -8.980 -8.319 9.377 1.00 19.48 C ATOM 150 O THR A 9 -9.477 -9.407 9.560 1.00 23.14 O ATOM 151 CB THR A 9 -11.057 -7.042 8.576 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.699 -6.891 7.157 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.014 -5.911 8.920 1.00 19.70 C ATOM 0 H THR A 9 -9.288 -5.483 8.245 1.00 18.33 H new ATOM 0 HA THR A 9 -10.155 -7.056 10.543 1.00 19.24 H new ATOM 0 HB THR A 9 -11.521 -8.017 8.724 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.512 -6.909 6.611 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.869 -5.940 8.245 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.358 -6.026 9.948 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.501 -4.955 8.814 1.00 19.70 H new ATOM 161 N GLY A 10 -7.691 -8.165 9.105 1.00 19.43 N ATOM 162 CA GLY A 10 -6.701 -9.166 9.433 1.00 18.74 C ATOM 163 C GLY A 10 -6.350 -9.991 8.241 1.00 17.62 C ATOM 164 O GLY A 10 -5.916 -11.114 8.358 1.00 19.74 O ATOM 0 H GLY A 10 -7.308 -7.337 8.649 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.804 -8.681 9.819 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.081 -9.811 10.225 1.00 18.74 H new ATOM 168 N LYS A 11 -6.377 -9.392 7.042 1.00 13.56 N ATOM 169 CA LYS A 11 -6.132 -10.128 5.734 1.00 11.91 C ATOM 170 C LYS A 11 -4.735 -9.687 5.287 1.00 10.18 C ATOM 171 O LYS A 11 -4.398 -8.516 5.364 1.00 9.10 O ATOM 172 CB LYS A 11 -7.200 -9.832 4.628 1.00 13.43 C ATOM 173 CG LYS A 11 -6.932 -10.622 3.367 1.00 16.69 C ATOM 174 CD LYS A 11 -8.179 -10.869 2.485 1.00 17.92 C ATOM 175 CE LYS A 11 -8.184 -12.072 1.515 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.088 -11.913 0.549 1.00 21.93 N ATOM 0 H LYS A 11 -6.564 -8.397 6.921 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.209 -11.204 5.889 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.193 -10.076 5.006 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.199 -8.767 4.397 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.184 -10.095 2.776 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.501 -11.585 3.642 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.036 -10.979 3.150 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.347 -9.969 1.894 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.065 -13.003 2.069 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -9.139 -12.131 0.994 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.460 -11.510 -0.335 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.367 -11.276 0.944 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.660 -12.841 0.353 1.00 21.93 H new ATOM 190 N THR A 12 -3.869 -10.670 4.958 1.00 9.63 N ATOM 191 CA THR A 12 -2.471 -10.376 4.612 1.00 9.85 C ATOM 192 C THR A 12 -2.291 -10.607 3.137 1.00 11.66 C ATOM 193 O THR A 12 -2.453 -11.666 2.547 1.00 12.33 O ATOM 194 CB THR A 12 -1.482 -11.294 5.304 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.643 -11.141 6.732 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.033 -10.984 4.927 1.00 9.63 C ATOM 0 H THR A 12 -4.114 -11.660 4.926 1.00 9.63 H new ATOM 0 HA THR A 12 -2.279 -9.349 4.922 1.00 9.85 H new ATOM 0 HB THR A 12 -1.688 -12.316 4.985 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.012 -11.729 7.197 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.634 -11.670 5.450 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.096 -11.102 3.851 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.206 -9.959 5.211 1.00 9.63 H new ATOM 204 N ILE A 13 -1.912 -9.552 2.416 1.00 10.42 N ATOM 205 CA ILE A 13 -1.728 -9.403 0.993 1.00 11.84 C ATOM 206 C ILE A 13 -0.198 -9.304 0.719 1.00 10.55 C ATOM 207 O ILE A 13 0.600 -8.580 1.364 1.00 11.92 O ATOM 208 CB ILE A 13 -2.276 -8.095 0.489 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.621 -7.810 1.104 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.370 -8.156 -1.040 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.084 -6.362 0.726 1.00 16.46 C ATOM 0 H ILE A 13 -1.703 -8.673 2.890 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.226 -10.244 0.511 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.609 -7.282 0.776 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.352 -8.538 0.754 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.564 -7.912 2.188 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.766 -7.213 -1.418 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.378 -8.327 -1.459 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.033 -8.971 -1.332 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.057 -6.163 1.174 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.358 -5.639 1.098 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.159 -6.275 -0.358 1.00 16.46 H new ATOM 223 N THR A 14 0.259 -10.174 -0.129 1.00 9.39 N ATOM 224 CA THR A 14 1.675 -10.375 -0.421 1.00 9.63 C ATOM 225 C THR A 14 2.039 -10.077 -1.799 1.00 11.20 C ATOM 226 O THR A 14 1.670 -10.765 -2.737 1.00 11.63 O ATOM 227 CB THR A 14 2.072 -11.801 -0.056 1.00 10.38 C ATOM 228 OG1 THR A 14 1.772 -12.146 1.259 1.00 16.30 O ATOM 229 CG2 THR A 14 3.671 -11.959 -0.206 1.00 11.66 C ATOM 0 H THR A 14 -0.351 -10.792 -0.663 1.00 9.39 H new ATOM 0 HA THR A 14 2.228 -9.661 0.189 1.00 9.63 H new ATOM 0 HB THR A 14 1.507 -12.448 -0.727 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.050 -13.071 1.426 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.962 -12.977 0.054 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.962 -11.750 -1.235 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.170 -11.257 0.462 1.00 11.66 H new ATOM 237 N LEU A 15 2.827 -8.991 -1.971 1.00 8.29 N ATOM 238 CA LEU A 15 3.012 -8.432 -3.256 1.00 9.03 C ATOM 239 C LEU A 15 4.402 -8.633 -3.770 1.00 8.59 C ATOM 240 O LEU A 15 5.265 -9.109 -3.019 1.00 7.79 O ATOM 241 CB LEU A 15 2.692 -6.956 -3.207 1.00 11.08 C ATOM 242 CG LEU A 15 1.339 -6.583 -2.640 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.294 -5.060 -2.674 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.209 -7.103 -3.476 1.00 15.27 C ATOM 0 H LEU A 15 3.325 -8.514 -1.219 1.00 8.29 H new ATOM 0 HA LEU A 15 2.338 -8.945 -3.942 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.460 -6.459 -2.615 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.761 -6.557 -4.219 1.00 11.08 H new ATOM 0 HG LEU A 15 1.224 -7.007 -1.643 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.339 -4.715 -2.277 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.106 -4.658 -2.067 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.405 -4.716 -3.702 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.740 -6.809 -3.028 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.279 -6.688 -4.481 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.265 -8.190 -3.528 1.00 15.27 H new ATOM 256 N GLU A 16 4.617 -8.345 -5.046 1.00 11.04 N ATOM 257 CA GLU A 16 5.935 -8.310 -5.626 1.00 11.50 C ATOM 258 C GLU A 16 6.085 -6.875 -6.113 1.00 10.13 C ATOM 259 O GLU A 16 5.307 -6.311 -6.888 1.00 9.83 O ATOM 260 CB GLU A 16 6.102 -9.419 -6.742 1.00 17.22 C ATOM 261 CG GLU A 16 7.399 -9.414 -7.626 1.00 23.33 C ATOM 262 CD GLU A 16 8.575 -9.785 -6.779 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.567 -10.862 -6.102 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.549 -8.965 -6.719 1.00 28.90 O ATOM 0 H GLU A 16 3.870 -8.129 -5.706 1.00 11.04 H new ATOM 0 HA GLU A 16 6.734 -8.554 -4.926 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.040 -10.391 -6.253 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.246 -9.344 -7.412 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.294 -10.119 -8.451 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.549 -8.428 -8.066 1.00 23.33 H new ATOM 271 N VAL A 17 7.096 -6.221 -5.576 1.00 8.99 N ATOM 272 CA VAL A 17 7.203 -4.777 -5.814 1.00 8.85 C ATOM 273 C VAL A 17 8.616 -4.481 -6.260 1.00 8.04 C ATOM 274 O VAL A 17 9.550 -5.264 -5.911 1.00 8.99 O ATOM 275 CB VAL A 17 6.885 -3.867 -4.658 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.351 -3.940 -4.311 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.698 -4.287 -3.474 1.00 10.54 C ATOM 0 H VAL A 17 7.828 -6.632 -4.997 1.00 8.99 H new ATOM 0 HA VAL A 17 6.438 -4.561 -6.560 1.00 8.85 H new ATOM 0 HB VAL A 17 7.127 -2.839 -4.927 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.136 -3.277 -3.473 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.767 -3.631 -5.178 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.087 -4.963 -4.041 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.476 -3.634 -2.630 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.453 -5.316 -3.211 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.758 -4.217 -3.717 1.00 10.54 H new ATOM 287 N GLU A 18 8.904 -3.379 -6.994 1.00 7.29 N ATOM 288 CA GLU A 18 10.106 -2.693 -7.038 1.00 7.08 C ATOM 289 C GLU A 18 10.199 -1.677 -5.882 1.00 6.45 C ATOM 290 O GLU A 18 9.213 -1.160 -5.416 1.00 5.28 O ATOM 291 CB GLU A 18 10.396 -1.996 -8.306 1.00 10.28 C ATOM 292 CG GLU A 18 10.574 -2.914 -9.477 1.00 12.65 C ATOM 293 CD GLU A 18 11.900 -3.696 -9.635 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.425 -4.336 -8.709 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.415 -3.643 -10.779 1.00 18.17 O ATOM 0 H GLU A 18 8.205 -2.955 -7.603 1.00 7.29 H new ATOM 0 HA GLU A 18 10.858 -3.476 -6.942 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.584 -1.302 -8.521 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.301 -1.400 -8.183 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.765 -3.644 -9.446 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.434 -2.322 -10.381 1.00 12.65 H new ATOM 302 N PRO A 19 11.372 -1.237 -5.368 1.00 7.24 N ATOM 303 CA PRO A 19 11.474 -0.177 -4.378 1.00 7.07 C ATOM 304 C PRO A 19 11.214 1.209 -4.977 1.00 6.65 C ATOM 305 O PRO A 19 10.820 2.150 -4.312 1.00 6.37 O ATOM 306 CB PRO A 19 12.849 -0.363 -3.796 1.00 7.61 C ATOM 307 CG PRO A 19 13.701 -0.941 -4.955 1.00 8.16 C ATOM 308 CD PRO A 19 12.655 -1.925 -5.618 1.00 7.49 C ATOM 0 HA PRO A 19 10.711 -0.236 -3.602 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.258 0.582 -3.439 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.828 -1.043 -2.944 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.040 -0.169 -5.646 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.590 -1.460 -4.597 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.843 -2.060 -6.683 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.681 -2.914 -5.161 1.00 7.49 H new ATOM 316 N SER A 20 11.308 1.306 -6.279 1.00 6.80 N ATOM 317 CA SER A 20 11.038 2.457 -7.137 1.00 6.28 C ATOM 318 C SER A 20 9.626 2.495 -7.703 1.00 8.45 C ATOM 319 O SER A 20 9.157 3.443 -8.361 1.00 7.26 O ATOM 320 CB SER A 20 11.987 2.466 -8.356 1.00 8.57 C ATOM 321 OG SER A 20 13.327 2.345 -7.887 1.00 11.13 O ATOM 0 H SER A 20 11.606 0.502 -6.832 1.00 6.80 H new ATOM 0 HA SER A 20 11.184 3.318 -6.485 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.746 1.644 -9.030 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.866 3.389 -8.923 1.00 8.57 H new ATOM 0 HG SER A 20 13.942 2.347 -8.650 1.00 11.13 H new ATOM 327 N ASP A 21 8.804 1.500 -7.393 1.00 7.50 N ATOM 328 CA ASP A 21 7.358 1.601 -7.675 1.00 7.70 C ATOM 329 C ASP A 21 6.716 2.723 -6.769 1.00 7.08 C ATOM 330 O ASP A 21 7.129 2.890 -5.631 1.00 8.11 O ATOM 331 CB ASP A 21 6.722 0.215 -7.317 1.00 11.00 C ATOM 332 CG ASP A 21 6.645 -0.679 -8.502 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.133 -0.177 -9.548 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.047 -1.885 -8.459 1.00 14.36 O ATOM 0 H ASP A 21 9.095 0.626 -6.955 1.00 7.50 H new ATOM 0 HA ASP A 21 7.183 1.856 -8.720 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.313 -0.265 -6.537 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.722 0.368 -6.911 1.00 11.00 H new ATOM 339 N THR A 22 5.676 3.477 -7.222 1.00 5.37 N ATOM 340 CA THR A 22 5.063 4.475 -6.440 1.00 6.01 C ATOM 341 C THR A 22 4.036 3.801 -5.547 1.00 8.01 C ATOM 342 O THR A 22 3.847 2.583 -5.557 1.00 8.11 O ATOM 343 CB THR A 22 4.428 5.584 -7.213 1.00 8.92 C ATOM 344 OG1 THR A 22 3.596 5.084 -8.256 1.00 10.22 O ATOM 345 CG2 THR A 22 5.625 6.289 -7.863 1.00 9.65 C ATOM 0 H THR A 22 5.270 3.373 -8.152 1.00 5.37 H new ATOM 0 HA THR A 22 5.852 4.961 -5.866 1.00 6.01 H new ATOM 0 HB THR A 22 3.808 6.216 -6.577 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.194 5.834 -8.742 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.272 7.129 -8.461 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.298 6.654 -7.087 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.157 5.586 -8.504 1.00 9.65 H new ATOM 353 N ILE A 23 3.417 4.591 -4.601 1.00 8.32 N ATOM 354 CA ILE A 23 2.350 4.207 -3.754 1.00 9.92 C ATOM 355 C ILE A 23 1.150 3.970 -4.624 1.00 10.01 C ATOM 356 O ILE A 23 0.359 3.027 -4.383 1.00 8.71 O ATOM 357 CB ILE A 23 2.240 5.288 -2.646 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.486 5.302 -1.812 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.913 5.089 -1.834 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.806 3.987 -1.023 1.00 12.30 C ATOM 0 H ILE A 23 3.705 5.557 -4.443 1.00 8.32 H new ATOM 0 HA ILE A 23 2.485 3.268 -3.216 1.00 9.92 H new ATOM 0 HB ILE A 23 2.172 6.283 -3.086 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.331 5.525 -2.463 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.410 6.121 -1.096 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.843 5.852 -1.058 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.059 5.176 -2.506 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.913 4.101 -1.373 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.729 4.117 -0.458 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.988 3.766 -0.337 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.924 3.161 -1.725 1.00 12.30 H new ATOM 372 N GLU A 24 0.932 4.790 -5.645 1.00 9.54 N ATOM 373 CA GLU A 24 0.012 4.479 -6.757 1.00 11.81 C ATOM 374 C GLU A 24 0.200 3.135 -7.412 1.00 11.14 C ATOM 375 O GLU A 24 -0.814 2.453 -7.671 1.00 10.62 O ATOM 376 CB GLU A 24 0.073 5.615 -7.775 1.00 19.24 C ATOM 377 CG GLU A 24 -0.864 5.617 -8.950 1.00 27.76 C ATOM 378 CD GLU A 24 -0.659 6.822 -9.870 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.329 6.841 -10.664 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.463 7.803 -9.655 1.00 36.51 O ATOM 0 H GLU A 24 1.387 5.698 -5.735 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.982 4.400 -6.317 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.085 6.547 -7.232 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.089 5.644 -8.169 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.723 4.700 -9.523 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.892 5.612 -8.589 1.00 27.76 H new ATOM 387 N ASN A 25 1.454 2.714 -7.698 1.00 9.43 N ATOM 388 CA ASN A 25 1.694 1.406 -8.235 1.00 10.96 C ATOM 389 C ASN A 25 1.395 0.246 -7.340 1.00 9.68 C ATOM 390 O ASN A 25 0.800 -0.788 -7.703 1.00 9.33 O ATOM 391 CB ASN A 25 3.133 1.361 -8.720 1.00 16.78 C ATOM 392 CG ASN A 25 3.473 2.280 -9.911 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.670 3.015 -10.513 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.780 2.228 -10.202 1.00 24.70 N ATOM 0 H ASN A 25 2.293 3.276 -7.558 1.00 9.43 H new ATOM 0 HA ASN A 25 0.976 1.274 -9.044 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.785 1.623 -7.887 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.370 0.334 -8.999 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.160 2.809 -10.949 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.395 1.607 -9.676 1.00 24.70 H new ATOM 401 N VAL A 26 1.769 0.309 -6.027 1.00 6.52 N ATOM 402 CA VAL A 26 1.296 -0.534 -4.994 1.00 5.53 C ATOM 403 C VAL A 26 -0.213 -0.699 -4.925 1.00 4.42 C ATOM 404 O VAL A 26 -0.715 -1.790 -4.969 1.00 3.40 O ATOM 405 CB VAL A 26 1.956 -0.302 -3.639 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.445 -1.258 -2.560 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.475 -0.536 -3.861 1.00 8.12 C ATOM 0 H VAL A 26 2.443 0.997 -5.691 1.00 6.52 H new ATOM 0 HA VAL A 26 1.644 -1.518 -5.308 1.00 5.53 H new ATOM 0 HB VAL A 26 1.727 0.703 -3.286 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.950 -1.046 -1.617 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.371 -1.124 -2.434 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.650 -2.286 -2.858 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.008 -0.384 -2.922 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.639 -1.555 -4.211 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.846 0.167 -4.606 1.00 8.12 H new ATOM 417 N LYS A 27 -1.007 0.419 -4.977 1.00 2.64 N ATOM 418 CA LYS A 27 -2.419 0.246 -5.011 1.00 4.14 C ATOM 419 C LYS A 27 -2.887 -0.467 -6.267 1.00 5.58 C ATOM 420 O LYS A 27 -3.885 -1.167 -6.213 1.00 4.11 O ATOM 421 CB LYS A 27 -3.176 1.583 -4.902 1.00 3.97 C ATOM 422 CG LYS A 27 -2.920 2.335 -3.600 1.00 7.45 C ATOM 423 CD LYS A 27 -3.712 3.612 -3.548 1.00 9.02 C ATOM 424 CE LYS A 27 -3.093 4.523 -2.469 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.810 5.786 -2.261 1.00 15.47 N ATOM 0 H LYS A 27 -0.675 1.383 -4.994 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.647 -0.371 -4.142 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.891 2.220 -5.740 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.245 1.392 -4.996 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.187 1.703 -2.753 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.857 2.559 -3.508 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.696 4.108 -4.518 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.756 3.402 -3.314 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.060 3.978 -1.526 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.062 4.745 -2.745 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.361 6.316 -1.487 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.777 6.352 -3.133 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.801 5.586 -2.015 1.00 15.47 H new ATOM 439 N ALA A 28 -2.220 -0.395 -7.417 1.00 6.61 N ATOM 440 CA ALA A 28 -2.510 -1.139 -8.649 1.00 7.74 C ATOM 441 C ALA A 28 -2.287 -2.690 -8.487 1.00 9.17 C ATOM 442 O ALA A 28 -3.094 -3.586 -8.823 1.00 11.45 O ATOM 443 CB ALA A 28 -1.680 -0.619 -9.785 1.00 7.68 C ATOM 0 H ALA A 28 -1.413 0.220 -7.524 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.567 -0.984 -8.868 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.908 -1.182 -10.690 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.905 0.435 -9.947 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.623 -0.732 -9.545 1.00 7.68 H new ATOM 449 N LYS A 29 -1.248 -2.967 -7.754 1.00 8.96 N ATOM 450 CA LYS A 29 -0.988 -4.384 -7.462 1.00 7.90 C ATOM 451 C LYS A 29 -2.097 -4.921 -6.501 1.00 6.92 C ATOM 452 O LYS A 29 -2.523 -6.095 -6.609 1.00 6.87 O ATOM 453 CB LYS A 29 0.372 -4.536 -6.804 1.00 10.28 C ATOM 454 CG LYS A 29 1.494 -4.223 -7.796 1.00 14.94 C ATOM 455 CD LYS A 29 2.823 -4.032 -7.098 1.00 19.69 C ATOM 456 CE LYS A 29 4.019 -3.541 -7.976 1.00 22.63 C ATOM 457 NZ LYS A 29 4.511 -4.653 -8.880 1.00 24.98 N ATOM 0 H LYS A 29 -0.592 -2.293 -7.359 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.998 -4.953 -8.392 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.442 -3.868 -5.946 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.487 -5.552 -6.427 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.576 -5.034 -8.519 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.244 -3.321 -8.355 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.681 -3.317 -6.288 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.105 -4.980 -6.640 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.708 -2.687 -8.578 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.832 -3.200 -7.335 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.305 -4.307 -9.455 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.827 -5.457 -8.301 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.739 -4.959 -9.505 1.00 24.98 H new ATOM 471 N ILE A 30 -2.529 -4.147 -5.474 1.00 4.57 N ATOM 472 CA ILE A 30 -3.528 -4.493 -4.515 1.00 5.58 C ATOM 473 C ILE A 30 -4.890 -4.585 -5.245 1.00 7.26 C ATOM 474 O ILE A 30 -5.732 -5.439 -4.946 1.00 9.46 O ATOM 475 CB ILE A 30 -3.421 -3.583 -3.317 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.052 -3.773 -2.673 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.599 -3.745 -2.302 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.805 -2.665 -1.576 1.00 2.00 C ATOM 0 H ILE A 30 -2.147 -3.216 -5.311 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.391 -5.481 -4.076 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.512 -2.553 -3.661 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.989 -4.763 -2.221 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.274 -3.721 -3.434 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.456 -3.060 -1.466 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.542 -3.518 -2.800 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.622 -4.770 -1.931 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.824 -2.813 -1.124 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.847 -1.679 -2.039 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.573 -2.737 -0.806 1.00 2.00 H new ATOM 490 N GLN A 31 -5.185 -3.733 -6.260 1.00 7.06 N ATOM 491 CA GLN A 31 -6.391 -3.840 -7.106 1.00 8.67 C ATOM 492 C GLN A 31 -6.474 -5.147 -7.926 1.00 10.90 C ATOM 493 O GLN A 31 -7.469 -5.866 -8.054 1.00 9.63 O ATOM 494 CB GLN A 31 -6.332 -2.677 -8.075 1.00 9.12 C ATOM 495 CG GLN A 31 -7.699 -2.351 -8.778 1.00 10.76 C ATOM 496 CD GLN A 31 -7.373 -1.630 -10.062 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.248 -1.482 -10.595 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.463 -1.032 -10.692 1.00 14.76 N ATOM 0 H GLN A 31 -4.585 -2.948 -6.512 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.265 -3.834 -6.455 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -5.991 -1.790 -7.540 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.586 -2.894 -8.840 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.257 -3.266 -8.980 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.325 -1.731 -8.136 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.397 -1.126 -10.294 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.326 -0.500 -11.552 1.00 14.76 H new ATOM 507 N ASP A 32 -5.297 -5.570 -8.455 1.00 10.93 N ATOM 508 CA ASP A 32 -5.177 -6.882 -9.056 1.00 14.01 C ATOM 509 C ASP A 32 -5.296 -8.003 -8.063 1.00 14.04 C ATOM 510 O ASP A 32 -5.930 -9.003 -8.389 1.00 13.39 O ATOM 511 CB ASP A 32 -3.825 -6.881 -9.745 1.00 18.01 C ATOM 512 CG ASP A 32 -3.898 -7.986 -10.746 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.712 -7.891 -11.706 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.131 -8.962 -10.593 1.00 25.17 O ATOM 0 H ASP A 32 -4.441 -5.015 -8.468 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.995 -7.062 -9.754 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.629 -5.924 -10.228 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.019 -7.048 -9.031 1.00 18.01 H new ATOM 519 N LYS A 33 -4.718 -7.995 -6.846 1.00 14.22 N ATOM 520 CA LYS A 33 -4.988 -9.111 -5.909 1.00 14.00 C ATOM 521 C LYS A 33 -6.374 -9.199 -5.390 1.00 12.37 C ATOM 522 O LYS A 33 -6.975 -10.247 -5.355 1.00 12.17 O ATOM 523 CB LYS A 33 -4.066 -9.051 -4.676 1.00 18.62 C ATOM 524 CG LYS A 33 -2.563 -9.278 -4.969 1.00 24.00 C ATOM 525 CD LYS A 33 -2.204 -10.823 -5.006 1.00 27.61 C ATOM 526 CE LYS A 33 -0.717 -11.052 -5.335 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.435 -12.478 -5.342 1.00 30.06 N ATOM 0 H LYS A 33 -4.092 -7.269 -6.497 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.803 -9.988 -6.529 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.185 -8.078 -4.200 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.397 -9.800 -3.957 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.304 -8.820 -5.924 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.964 -8.782 -4.205 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.438 -11.275 -4.042 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.823 -11.323 -5.751 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.478 -10.619 -6.306 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.089 -10.550 -4.599 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.569 -12.632 -5.564 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.648 -12.879 -4.406 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.024 -12.945 -6.061 1.00 30.06 H new ATOM 541 N GLU A 34 -6.923 -8.052 -4.879 1.00 10.11 N ATOM 542 CA GLU A 34 -8.043 -8.153 -3.949 1.00 10.07 C ATOM 543 C GLU A 34 -9.303 -7.381 -4.462 1.00 9.32 C ATOM 544 O GLU A 34 -10.352 -7.475 -3.829 1.00 11.61 O ATOM 545 CB GLU A 34 -7.648 -7.407 -2.634 1.00 14.77 C ATOM 546 CG GLU A 34 -6.552 -8.051 -1.792 1.00 18.75 C ATOM 547 CD GLU A 34 -7.023 -9.372 -1.233 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.154 -9.388 -0.641 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.299 -10.381 -1.379 1.00 25.19 O ATOM 0 H GLU A 34 -6.613 -7.104 -5.094 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.262 -9.213 -3.823 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.329 -6.398 -2.896 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.540 -7.309 -2.016 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.660 -8.204 -2.400 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.272 -7.384 -0.977 1.00 18.75 H new ATOM 556 N GLY A 35 -9.247 -6.700 -5.638 1.00 7.22 N ATOM 557 CA GLY A 35 -10.335 -6.132 -6.358 1.00 6.29 C ATOM 558 C GLY A 35 -10.822 -4.855 -5.770 1.00 6.93 C ATOM 559 O GLY A 35 -11.944 -4.411 -6.118 1.00 7.41 O ATOM 0 H GLY A 35 -8.358 -6.542 -6.112 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.028 -5.956 -7.389 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.156 -6.848 -6.387 1.00 6.29 H new ATOM 563 N ILE A 36 -10.105 -4.216 -4.816 1.00 5.86 N ATOM 564 CA ILE A 36 -10.569 -3.008 -4.174 1.00 6.07 C ATOM 565 C ILE A 36 -10.074 -1.864 -5.083 1.00 6.36 C ATOM 566 O ILE A 36 -8.862 -1.781 -5.288 1.00 6.18 O ATOM 567 CB ILE A 36 -10.005 -2.939 -2.764 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.367 -4.148 -1.881 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.467 -1.644 -2.092 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.298 -4.309 -0.797 1.00 9.49 C ATOM 0 H ILE A 36 -9.195 -4.538 -4.485 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.652 -2.955 -4.061 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.920 -2.958 -2.865 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.346 -4.002 -1.426 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.429 -5.052 -2.487 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.063 -1.594 -1.081 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.112 -0.789 -2.667 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.556 -1.625 -2.049 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.545 -5.163 -0.166 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.327 -4.473 -1.265 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.259 -3.406 -0.187 1.00 9.49 H new ATOM 582 N PRO A 37 -10.935 -1.050 -5.691 1.00 8.65 N ATOM 583 CA PRO A 37 -10.558 0.175 -6.341 1.00 9.18 C ATOM 584 C PRO A 37 -9.466 1.096 -5.609 1.00 9.85 C ATOM 585 O PRO A 37 -9.676 1.188 -4.390 1.00 8.51 O ATOM 586 CB PRO A 37 -11.875 0.998 -6.521 1.00 11.42 C ATOM 587 CG PRO A 37 -12.917 -0.084 -6.612 1.00 9.27 C ATOM 588 CD PRO A 37 -12.402 -1.211 -5.653 1.00 8.33 C ATOM 0 HA PRO A 37 -10.062 -0.114 -7.268 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.055 1.667 -5.679 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.850 1.615 -7.419 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.896 0.282 -6.304 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.021 -0.450 -7.634 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.793 -1.089 -4.643 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.707 -2.200 -5.995 1.00 8.33 H new ATOM 596 N PRO A 38 -8.469 1.681 -6.271 1.00 8.71 N ATOM 597 CA PRO A 38 -7.467 2.457 -5.552 1.00 9.08 C ATOM 598 C PRO A 38 -7.999 3.646 -4.853 1.00 9.28 C ATOM 599 O PRO A 38 -7.303 4.031 -3.947 1.00 6.50 O ATOM 600 CB PRO A 38 -6.447 2.835 -6.668 1.00 10.31 C ATOM 601 CG PRO A 38 -6.467 1.664 -7.625 1.00 10.81 C ATOM 602 CD PRO A 38 -7.892 1.078 -7.437 1.00 12.00 C ATOM 0 HA PRO A 38 -7.030 1.885 -4.733 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.734 3.760 -7.169 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.450 2.992 -6.256 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.294 1.981 -8.653 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.696 0.933 -7.383 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.506 1.281 -8.314 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.847 -0.005 -7.323 1.00 12.00 H new ATOM 610 N ASP A 39 -9.160 4.171 -5.259 1.00 11.20 N ATOM 611 CA ASP A 39 -9.825 5.269 -4.683 1.00 14.96 C ATOM 612 C ASP A 39 -10.417 4.871 -3.323 1.00 13.99 C ATOM 613 O ASP A 39 -10.767 5.733 -2.521 1.00 13.75 O ATOM 614 CB ASP A 39 -10.929 5.865 -5.569 1.00 24.16 C ATOM 615 CG ASP A 39 -10.362 6.290 -6.942 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.498 7.182 -7.075 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.793 5.630 -7.914 1.00 34.22 O ATOM 0 H ASP A 39 -9.668 3.789 -6.057 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.071 6.047 -4.563 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.724 5.132 -5.710 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.375 6.727 -5.072 1.00 24.16 H new ATOM 622 N GLN A 40 -10.514 3.549 -2.949 1.00 11.60 N ATOM 623 CA GLN A 40 -10.883 3.047 -1.652 1.00 10.76 C ATOM 624 C GLN A 40 -9.713 2.521 -0.866 1.00 8.01 C ATOM 625 O GLN A 40 -9.867 1.807 0.108 1.00 8.96 O ATOM 626 CB GLN A 40 -11.931 1.898 -1.810 1.00 11.14 C ATOM 627 CG GLN A 40 -13.225 2.505 -2.494 1.00 14.85 C ATOM 628 CD GLN A 40 -14.251 1.404 -2.854 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.166 0.205 -2.534 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.299 1.832 -3.643 1.00 18.16 N ATOM 0 H GLN A 40 -10.318 2.796 -3.608 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.300 3.890 -1.102 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.522 1.091 -2.417 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.178 1.472 -0.838 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.687 3.228 -1.822 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.940 3.046 -3.396 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.371 2.815 -3.907 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.002 1.166 -3.963 1.00 18.16 H new ATOM 639 N GLN A 41 -8.468 2.706 -1.304 1.00 6.52 N ATOM 640 CA GLN A 41 -7.328 2.108 -0.689 1.00 3.87 C ATOM 641 C GLN A 41 -6.519 3.133 0.117 1.00 4.79 C ATOM 642 O GLN A 41 -5.818 3.964 -0.461 1.00 6.34 O ATOM 643 CB GLN A 41 -6.496 1.433 -1.714 1.00 4.20 C ATOM 644 CG GLN A 41 -7.037 0.090 -2.213 1.00 3.20 C ATOM 645 CD GLN A 41 -5.942 -0.452 -3.079 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.776 -0.303 -2.759 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.226 -0.800 -4.330 1.00 7.13 N ATOM 0 H GLN A 41 -8.241 3.288 -2.110 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.672 1.356 0.021 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.386 2.102 -2.568 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.499 1.275 -1.303 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.258 -0.582 -1.384 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.962 0.218 -2.775 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.197 -0.929 -4.616 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.473 -0.938 -5.004 1.00 7.13 H new ATOM 656 N ARG A 42 -6.697 3.181 1.474 1.00 5.73 N ATOM 657 CA ARG A 42 -5.912 4.035 2.327 1.00 6.97 C ATOM 658 C ARG A 42 -4.606 3.337 2.740 1.00 7.15 C ATOM 659 O ARG A 42 -4.615 2.472 3.623 1.00 7.33 O ATOM 660 CB ARG A 42 -6.731 4.593 3.422 1.00 13.23 C ATOM 661 CG ARG A 42 -5.902 5.445 4.438 1.00 21.27 C ATOM 662 CD ARG A 42 -6.650 6.100 5.633 1.00 26.14 C ATOM 663 NE ARG A 42 -7.578 7.142 5.090 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.898 7.023 5.170 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.510 6.049 5.869 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.693 7.863 4.522 1.00 36.39 N ATOM 0 H ARG A 42 -7.390 2.622 1.971 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.582 4.916 1.777 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.521 5.213 2.997 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -7.219 3.777 3.955 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.118 4.806 4.846 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.407 6.240 3.880 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.208 5.348 6.191 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.939 6.549 6.327 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.183 7.970 4.644 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.955 5.356 6.371 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.529 6.004 5.897 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.292 8.610 3.955 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.706 7.762 4.591 1.00 36.39 H new ATOM 680 N LEU A 43 -3.372 3.568 2.165 1.00 4.65 N ATOM 681 CA LEU A 43 -2.161 2.952 2.611 1.00 3.51 C ATOM 682 C LEU A 43 -1.457 3.653 3.797 1.00 5.56 C ATOM 683 O LEU A 43 -1.295 4.847 3.842 1.00 4.19 O ATOM 684 CB LEU A 43 -1.135 2.802 1.401 1.00 3.74 C ATOM 685 CG LEU A 43 -1.583 1.807 0.349 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.442 1.621 -0.675 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.072 0.514 1.005 1.00 6.41 C ATOM 0 H LEU A 43 -3.239 4.200 1.375 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.472 1.977 2.987 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.994 3.776 0.932 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.166 2.493 1.793 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.445 2.179 -0.205 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.751 0.907 -1.438 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.215 2.578 -1.144 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.446 1.246 -0.166 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.389 -0.188 0.234 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.263 0.072 1.587 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.913 0.735 1.663 1.00 6.41 H new ATOM 699 N ILE A 44 -1.027 2.765 4.697 1.00 4.58 N ATOM 700 CA ILE A 44 -0.395 3.005 5.984 1.00 5.55 C ATOM 701 C ILE A 44 0.955 2.261 6.062 1.00 5.46 C ATOM 702 O ILE A 44 1.160 1.095 5.687 1.00 6.04 O ATOM 703 CB ILE A 44 -1.286 2.360 7.091 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.714 2.975 7.009 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.664 2.650 8.434 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.739 4.489 7.290 1.00 13.90 C ATOM 0 H ILE A 44 -1.125 1.765 4.519 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.262 4.079 6.111 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.357 1.281 6.953 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.126 2.789 6.017 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.362 2.468 7.724 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.274 2.206 9.221 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.339 2.225 8.470 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.607 3.728 8.583 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.763 4.856 7.217 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.356 4.679 8.292 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.116 5.005 6.559 1.00 13.90 H new ATOM 718 N PHE A 45 1.968 2.971 6.657 1.00 6.75 N ATOM 719 CA PHE A 45 3.230 2.405 7.101 1.00 4.70 C ATOM 720 C PHE A 45 3.809 3.162 8.290 1.00 6.34 C ATOM 721 O PHE A 45 3.698 4.406 8.355 1.00 5.45 O ATOM 722 CB PHE A 45 4.304 2.509 5.981 1.00 5.51 C ATOM 723 CG PHE A 45 5.514 1.631 6.202 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.481 0.227 6.334 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.724 2.278 6.500 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.606 -0.487 6.797 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.897 1.571 6.924 1.00 6.64 C ATOM 728 CZ PHE A 45 7.797 0.166 7.093 1.00 6.84 C ATOM 0 H PHE A 45 1.900 3.974 6.832 1.00 6.75 H new ATOM 0 HA PHE A 45 3.011 1.371 7.367 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.846 2.245 5.028 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.631 3.546 5.901 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.580 -0.310 6.076 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.773 3.353 6.406 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.541 -1.558 6.923 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.826 2.091 7.109 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.646 -0.396 7.452 1.00 6.84 H new ATOM 738 N ALA A 46 4.315 2.438 9.329 1.00 6.53 N ATOM 739 CA ALA A 46 4.762 3.015 10.622 1.00 7.15 C ATOM 740 C ALA A 46 3.923 4.057 11.255 1.00 9.00 C ATOM 741 O ALA A 46 4.395 5.032 11.841 1.00 11.15 O ATOM 742 CB ALA A 46 6.165 3.563 10.410 1.00 8.99 C ATOM 0 H ALA A 46 4.423 1.425 9.287 1.00 6.53 H new ATOM 0 HA ALA A 46 4.696 2.191 11.332 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.530 3.997 11.341 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.828 2.755 10.102 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.143 4.330 9.636 1.00 8.99 H new ATOM 748 N GLY A 47 2.626 3.893 11.248 1.00 9.35 N ATOM 749 CA GLY A 47 1.615 4.753 11.819 1.00 11.68 C ATOM 750 C GLY A 47 1.115 5.939 11.014 1.00 11.14 C ATOM 751 O GLY A 47 0.164 6.618 11.408 1.00 13.93 O ATOM 0 H GLY A 47 2.209 3.077 10.800 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.752 4.132 12.059 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.004 5.136 12.762 1.00 11.68 H new ATOM 755 N LYS A 48 1.709 6.096 9.866 1.00 10.47 N ATOM 756 CA LYS A 48 1.284 7.211 8.942 1.00 8.82 C ATOM 757 C LYS A 48 0.820 6.728 7.541 1.00 7.68 C ATOM 758 O LYS A 48 1.010 5.555 7.210 1.00 6.47 O ATOM 759 CB LYS A 48 2.454 8.258 8.739 1.00 9.74 C ATOM 760 CG LYS A 48 3.701 7.736 8.002 1.00 14.14 C ATOM 761 CD LYS A 48 4.782 8.843 7.905 1.00 16.32 C ATOM 762 CE LYS A 48 6.030 8.388 7.084 1.00 20.04 C ATOM 763 NZ LYS A 48 7.013 9.404 7.331 1.00 23.92 N ATOM 0 H LYS A 48 2.468 5.510 9.518 1.00 10.47 H new ATOM 0 HA LYS A 48 0.429 7.671 9.437 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.060 9.112 8.188 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.761 8.625 9.718 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.105 6.871 8.528 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.425 7.401 7.002 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.349 9.730 7.441 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.096 9.129 8.909 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.382 7.408 7.407 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.799 8.309 6.022 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.886 9.175 6.815 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.651 10.324 7.008 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.216 9.451 8.350 1.00 23.92 H new ATOM 777 N GLN A 49 0.175 7.667 6.810 1.00 8.89 N ATOM 778 CA GLN A 49 -0.381 7.455 5.466 1.00 7.18 C ATOM 779 C GLN A 49 0.630 7.643 4.376 1.00 8.23 C ATOM 780 O GLN A 49 1.711 8.216 4.559 1.00 9.70 O ATOM 781 CB GLN A 49 -1.656 8.315 5.099 1.00 11.67 C ATOM 782 CG GLN A 49 -2.835 8.019 6.080 1.00 15.82 C ATOM 783 CD GLN A 49 -4.003 8.941 5.768 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.765 8.708 4.862 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.047 10.096 6.495 1.00 20.67 N ATOM 0 H GLN A 49 0.027 8.616 7.154 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.697 6.413 5.524 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.406 9.375 5.135 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.965 8.095 4.077 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.146 6.978 5.988 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.509 8.164 7.110 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.381 10.248 7.252 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.746 10.807 6.281 1.00 20.67 H new ATOM 794 N LEU A 50 0.429 7.095 3.213 1.00 6.51 N ATOM 795 CA LEU A 50 1.397 7.091 2.117 1.00 7.41 C ATOM 796 C LEU A 50 0.784 7.776 0.888 1.00 8.27 C ATOM 797 O LEU A 50 -0.384 7.587 0.576 1.00 8.34 O ATOM 798 CB LEU A 50 1.833 5.630 1.819 1.00 7.13 C ATOM 799 CG LEU A 50 2.319 4.791 3.020 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.739 3.428 2.549 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.540 5.501 3.697 1.00 9.11 C ATOM 0 H LEU A 50 -0.441 6.617 2.977 1.00 6.51 H new ATOM 0 HA LEU A 50 2.289 7.652 2.395 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.991 5.111 1.360 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.632 5.658 1.078 1.00 7.13 H new ATOM 0 HG LEU A 50 1.506 4.693 3.740 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.081 2.839 3.400 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.892 2.928 2.079 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.549 3.526 1.826 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.882 4.907 4.545 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.350 5.601 2.974 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.239 6.490 4.044 1.00 9.11 H new ATOM 813 N GLU A 51 1.507 8.699 0.310 1.00 9.43 N ATOM 814 CA GLU A 51 1.009 9.696 -0.616 1.00 11.90 C ATOM 815 C GLU A 51 1.281 9.167 -1.986 1.00 11.49 C ATOM 816 O GLU A 51 2.394 8.741 -2.296 1.00 9.88 O ATOM 817 CB GLU A 51 1.745 11.053 -0.327 1.00 16.56 C ATOM 818 CG GLU A 51 1.734 12.025 -1.555 1.00 26.06 C ATOM 819 CD GLU A 51 2.460 13.299 -1.151 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.100 14.044 -0.187 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.473 13.643 -1.832 1.00 33.44 O ATOM 0 H GLU A 51 2.510 8.784 0.477 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.059 9.887 -0.515 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.271 11.544 0.523 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.777 10.848 -0.042 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.224 11.562 -2.412 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.710 12.248 -1.855 1.00 26.06 H new ATOM 828 N ASP A 52 0.232 9.070 -2.836 1.00 12.71 N ATOM 829 CA ASP A 52 0.179 8.320 -4.133 1.00 16.56 C ATOM 830 C ASP A 52 1.439 8.452 -5.028 1.00 15.83 C ATOM 831 O ASP A 52 2.011 7.522 -5.588 1.00 17.21 O ATOM 832 CB ASP A 52 -1.115 8.585 -4.898 1.00 21.05 C ATOM 833 CG ASP A 52 -2.293 8.562 -3.948 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.472 9.565 -3.207 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.144 7.618 -4.008 1.00 28.37 O ATOM 0 H ASP A 52 -0.653 9.535 -2.633 1.00 12.71 H new ATOM 0 HA ASP A 52 0.179 7.271 -3.838 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.060 9.552 -5.398 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.249 7.832 -5.674 1.00 21.05 H new ATOM 840 N GLY A 53 1.949 9.682 -5.244 1.00 15.00 N ATOM 841 CA GLY A 53 3.073 9.922 -6.126 1.00 11.77 C ATOM 842 C GLY A 53 4.525 9.697 -5.651 1.00 11.10 C ATOM 843 O GLY A 53 5.469 9.690 -6.426 1.00 11.25 O ATOM 0 H GLY A 53 1.582 10.526 -4.804 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.926 9.297 -7.007 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.003 10.959 -6.456 1.00 11.77 H new ATOM 847 N ARG A 54 4.633 9.376 -4.409 1.00 8.53 N ATOM 848 CA ARG A 54 5.880 9.117 -3.682 1.00 9.05 C ATOM 849 C ARG A 54 6.230 7.614 -3.936 1.00 8.96 C ATOM 850 O ARG A 54 5.350 6.889 -4.458 1.00 11.60 O ATOM 851 CB ARG A 54 5.848 9.458 -2.171 1.00 7.97 C ATOM 852 CG ARG A 54 5.534 10.892 -1.915 1.00 9.62 C ATOM 853 CD ARG A 54 6.642 11.828 -2.417 1.00 12.20 C ATOM 854 NE ARG A 54 6.382 13.167 -1.804 1.00 18.23 N ATOM 855 CZ ARG A 54 7.349 14.041 -1.473 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.640 13.852 -1.807 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.109 15.109 -0.739 1.00 23.38 N ATOM 0 H ARG A 54 3.812 9.274 -3.812 1.00 8.53 H new ATOM 0 HA ARG A 54 6.651 9.789 -4.060 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.104 8.833 -1.677 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.814 9.216 -1.727 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.595 11.149 -2.404 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.389 11.045 -0.846 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.625 11.454 -2.129 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.632 11.892 -3.505 1.00 12.20 H new ATOM 0 HE ARG A 54 5.414 13.433 -1.626 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.915 13.021 -2.331 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.343 14.540 -1.536 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.164 15.295 -0.402 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.868 15.750 -0.508 1.00 23.38 H new ATOM 871 N THR A 55 7.444 7.100 -3.644 1.00 9.05 N ATOM 872 CA THR A 55 7.905 5.711 -3.854 1.00 9.03 C ATOM 873 C THR A 55 8.174 4.992 -2.541 1.00 8.15 C ATOM 874 O THR A 55 8.224 5.625 -1.500 1.00 5.91 O ATOM 875 CB THR A 55 9.179 5.559 -4.655 1.00 11.15 C ATOM 876 OG1 THR A 55 10.295 6.185 -4.111 1.00 11.95 O ATOM 877 CG2 THR A 55 8.874 6.030 -6.109 1.00 11.71 C ATOM 0 H THR A 55 8.174 7.680 -3.230 1.00 9.05 H new ATOM 0 HA THR A 55 7.074 5.281 -4.413 1.00 9.03 H new ATOM 0 HB THR A 55 9.469 4.508 -4.640 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.020 5.533 -4.013 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.773 5.935 -6.718 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.081 5.413 -6.532 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.555 7.072 -6.094 1.00 11.71 H new ATOM 885 N LEU A 56 8.303 3.619 -2.568 1.00 6.91 N ATOM 886 CA LEU A 56 8.731 2.832 -1.413 1.00 8.29 C ATOM 887 C LEU A 56 10.113 3.184 -0.784 1.00 8.05 C ATOM 888 O LEU A 56 10.234 3.251 0.456 1.00 10.17 O ATOM 889 CB LEU A 56 8.682 1.345 -1.727 1.00 6.60 C ATOM 890 CG LEU A 56 7.334 0.879 -2.405 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.479 -0.612 -2.592 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.040 1.339 -1.662 1.00 8.64 C ATOM 0 H LEU A 56 8.108 3.057 -3.397 1.00 6.91 H new ATOM 0 HA LEU A 56 8.006 3.108 -0.647 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.514 1.095 -2.385 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.826 0.784 -0.804 1.00 6.60 H new ATOM 0 HG LEU A 56 7.185 1.369 -3.367 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.578 -1.009 -3.060 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.339 -0.817 -3.229 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.625 -1.088 -1.622 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.164 0.974 -2.198 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.040 0.937 -0.649 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.012 2.428 -1.620 1.00 8.64 H new ATOM 904 N SER A 57 11.060 3.574 -1.665 1.00 8.92 N ATOM 905 CA SER A 57 12.391 4.030 -1.318 1.00 9.00 C ATOM 906 C SER A 57 12.365 5.415 -0.647 1.00 9.44 C ATOM 907 O SER A 57 13.143 5.650 0.276 1.00 10.91 O ATOM 908 CB SER A 57 13.377 4.050 -2.435 1.00 10.32 C ATOM 909 OG SER A 57 12.935 4.845 -3.509 1.00 13.59 O ATOM 0 H SER A 57 10.895 3.574 -2.672 1.00 8.92 H new ATOM 0 HA SER A 57 12.738 3.271 -0.617 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.331 4.430 -2.070 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.551 3.032 -2.784 1.00 10.32 H new ATOM 0 HG SER A 57 13.608 4.835 -4.222 1.00 13.59 H new ATOM 915 N ASP A 58 11.337 6.259 -0.905 1.00 9.11 N ATOM 916 CA ASP A 58 11.113 7.482 -0.176 1.00 7.91 C ATOM 917 C ASP A 58 10.625 7.197 1.325 1.00 9.12 C ATOM 918 O ASP A 58 10.868 8.063 2.194 1.00 8.61 O ATOM 919 CB ASP A 58 10.045 8.397 -0.819 1.00 8.41 C ATOM 920 CG ASP A 58 10.460 8.689 -2.235 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.666 8.970 -2.436 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.611 8.680 -3.113 1.00 11.70 O ATOM 0 H ASP A 58 10.647 6.088 -1.636 1.00 9.11 H new ATOM 0 HA ASP A 58 12.081 7.983 -0.192 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.070 7.911 -0.802 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.949 9.324 -0.253 1.00 8.41 H new ATOM 927 N TYR A 59 10.027 6.002 1.645 1.00 7.97 N ATOM 928 CA TYR A 59 9.627 5.611 2.987 1.00 8.45 C ATOM 929 C TYR A 59 10.589 4.648 3.605 1.00 10.98 C ATOM 930 O TYR A 59 10.361 4.142 4.722 1.00 12.95 O ATOM 931 CB TYR A 59 8.139 5.002 3.108 1.00 7.94 C ATOM 932 CG TYR A 59 7.145 6.022 2.513 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.725 7.072 3.355 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.600 5.858 1.262 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.921 8.084 2.780 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.673 6.766 0.798 1.00 6.52 C ATOM 937 CZ TYR A 59 5.316 7.880 1.532 1.00 6.76 C ATOM 938 OH TYR A 59 4.383 8.869 1.077 1.00 7.63 O ATOM 0 H TYR A 59 9.818 5.291 0.944 1.00 7.97 H new ATOM 0 HA TYR A 59 9.632 6.555 3.532 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.073 4.053 2.575 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.896 4.800 4.151 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.006 7.102 4.397 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.897 5.022 0.646 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.773 9.017 3.304 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.213 6.602 -0.165 1.00 6.52 H new ATOM 0 HH TYR A 59 4.863 9.694 0.855 1.00 7.63 H new ATOM 948 N ASN A 60 11.698 4.413 2.952 1.00 12.38 N ATOM 949 CA ASN A 60 12.860 3.684 3.357 1.00 13.94 C ATOM 950 C ASN A 60 12.528 2.215 3.677 1.00 14.16 C ATOM 951 O ASN A 60 13.002 1.648 4.666 1.00 14.26 O ATOM 952 CB ASN A 60 13.678 4.409 4.479 1.00 19.23 C ATOM 953 CG ASN A 60 13.919 5.832 4.128 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.241 6.221 3.034 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.915 6.638 5.234 1.00 24.09 N ATOM 0 H ASN A 60 11.815 4.777 2.006 1.00 12.38 H new ATOM 0 HA ASN A 60 13.535 3.659 2.502 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.137 4.350 5.424 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.631 3.901 4.625 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.193 7.616 5.153 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.634 6.261 6.139 1.00 24.09 H new ATOM 962 N ILE A 61 11.695 1.655 2.771 1.00 11.08 N ATOM 963 CA ILE A 61 11.121 0.324 2.902 1.00 11.78 C ATOM 964 C ILE A 61 12.008 -0.590 2.111 1.00 13.74 C ATOM 965 O ILE A 61 12.413 -0.272 0.995 1.00 14.60 O ATOM 966 CB ILE A 61 9.687 0.237 2.380 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.715 1.203 3.087 1.00 11.56 C ATOM 968 CG2 ILE A 61 9.168 -1.202 2.412 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.429 1.405 2.259 1.00 11.42 C ATOM 0 H ILE A 61 11.406 2.135 1.919 1.00 11.08 H new ATOM 0 HA ILE A 61 11.068 0.051 3.956 1.00 11.78 H new ATOM 0 HB ILE A 61 9.727 0.563 1.341 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.459 0.810 4.071 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.204 2.164 3.245 1.00 11.56 H new ATOM 0 HG21 ILE A 61 8.146 -1.229 2.034 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.802 -1.831 1.788 1.00 13.29 H new ATOM 0 HG23 ILE A 61 9.186 -1.573 3.437 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.763 2.091 2.783 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.685 1.821 1.285 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.929 0.446 2.124 1.00 11.42 H new ATOM 981 N GLN A 62 12.452 -1.771 2.655 1.00 13.97 N ATOM 982 CA GLN A 62 13.165 -2.840 2.035 1.00 15.52 C ATOM 983 C GLN A 62 12.527 -4.154 2.351 1.00 13.94 C ATOM 984 O GLN A 62 11.494 -4.139 3.029 1.00 12.15 O ATOM 985 CB GLN A 62 14.581 -2.908 2.581 1.00 19.53 C ATOM 986 CG GLN A 62 15.370 -1.685 2.165 1.00 26.38 C ATOM 987 CD GLN A 62 16.749 -1.705 2.839 1.00 30.61 C ATOM 988 OE1 GLN A 62 17.811 -1.747 2.200 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.737 -1.742 4.186 1.00 32.71 N ATOM 0 H GLN A 62 12.280 -1.975 3.639 1.00 13.97 H new ATOM 0 HA GLN A 62 13.159 -2.653 0.961 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.555 -2.978 3.668 1.00 19.53 H new ATOM 0 HB3 GLN A 62 15.075 -3.808 2.215 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.485 -1.666 1.081 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.831 -0.780 2.445 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.851 -1.706 4.689 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.614 -1.806 4.702 1.00 32.71 H new ATOM 998 N LYS A 63 13.032 -5.179 1.617 1.00 11.73 N ATOM 999 CA LYS A 63 12.383 -6.505 1.562 1.00 11.97 C ATOM 1000 C LYS A 63 11.640 -7.075 2.744 1.00 10.41 C ATOM 1001 O LYS A 63 12.138 -6.978 3.819 1.00 9.59 O ATOM 1002 CB LYS A 63 13.335 -7.529 1.017 1.00 13.73 C ATOM 1003 CG LYS A 63 14.512 -7.793 1.981 1.00 16.98 C ATOM 1004 CD LYS A 63 15.613 -8.621 1.408 1.00 20.19 C ATOM 1005 CE LYS A 63 16.540 -7.916 0.415 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.512 -7.037 0.997 1.00 25.97 N ATOM 0 H LYS A 63 13.883 -5.108 1.059 1.00 11.73 H new ATOM 0 HA LYS A 63 11.547 -6.271 0.903 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.800 -8.461 0.834 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.722 -7.190 0.056 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.924 -6.836 2.300 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.129 -8.289 2.873 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.218 -9.003 2.230 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.170 -9.484 0.910 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.064 -8.674 -0.168 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.929 -7.343 -0.283 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.089 -6.610 0.244 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.027 -6.287 1.529 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.126 -7.576 1.640 1.00 25.97 H new ATOM 1020 N GLU A 64 10.493 -7.660 2.514 1.00 10.04 N ATOM 1021 CA GLU A 64 9.721 -8.413 3.462 1.00 10.94 C ATOM 1022 C GLU A 64 9.314 -7.607 4.638 1.00 9.74 C ATOM 1023 O GLU A 64 9.725 -7.972 5.732 1.00 9.42 O ATOM 1024 CB GLU A 64 10.435 -9.741 3.909 1.00 18.31 C ATOM 1025 CG GLU A 64 10.988 -10.538 2.718 1.00 24.16 C ATOM 1026 CD GLU A 64 11.529 -11.887 3.095 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.785 -12.722 3.684 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.697 -12.095 2.801 1.00 31.72 O ATOM 0 H GLU A 64 10.046 -7.619 1.598 1.00 10.04 H new ATOM 0 HA GLU A 64 8.811 -8.697 2.933 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.250 -9.500 4.591 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.729 -10.361 4.462 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.197 -10.667 1.979 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.779 -9.959 2.240 1.00 24.16 H new ATOM 1035 N SER A 65 8.572 -6.442 4.373 1.00 6.85 N ATOM 1036 CA SER A 65 8.213 -5.585 5.479 1.00 6.90 C ATOM 1037 C SER A 65 6.747 -5.507 5.556 1.00 4.72 C ATOM 1038 O SER A 65 6.033 -5.687 4.561 1.00 3.91 O ATOM 1039 CB SER A 65 8.756 -4.149 5.378 1.00 7.28 C ATOM 1040 OG SER A 65 8.578 -3.430 6.637 1.00 10.56 O ATOM 0 H SER A 65 8.256 -6.137 3.453 1.00 6.85 H new ATOM 0 HA SER A 65 8.663 -6.032 6.365 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.814 -4.174 5.117 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.242 -3.618 4.577 1.00 7.28 H new ATOM 0 HG SER A 65 8.226 -2.534 6.455 1.00 10.56 H new ATOM 1046 N THR A 66 6.237 -5.255 6.790 1.00 4.48 N ATOM 1047 CA THR A 66 4.800 -5.224 7.148 1.00 3.80 C ATOM 1048 C THR A 66 4.340 -3.812 7.051 1.00 4.60 C ATOM 1049 O THR A 66 4.728 -2.953 7.877 1.00 5.33 O ATOM 1050 CB THR A 66 4.412 -5.835 8.490 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.901 -7.170 8.575 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.883 -6.026 8.488 1.00 3.40 C ATOM 0 H THR A 66 6.840 -5.061 7.590 1.00 4.48 H new ATOM 0 HA THR A 66 4.296 -5.878 6.437 1.00 3.80 H new ATOM 0 HB THR A 66 4.794 -5.195 9.286 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.650 -7.556 9.440 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.570 -6.463 9.436 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.396 -5.060 8.355 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.600 -6.691 7.672 1.00 3.40 H new ATOM 1060 N LEU A 67 3.389 -3.627 6.105 1.00 4.17 N ATOM 1061 CA LEU A 67 2.636 -2.482 5.706 1.00 3.85 C ATOM 1062 C LEU A 67 1.228 -2.737 6.108 1.00 3.80 C ATOM 1063 O LEU A 67 0.758 -3.867 6.326 1.00 5.54 O ATOM 1064 CB LEU A 67 2.734 -2.255 4.098 1.00 7.18 C ATOM 1065 CG LEU A 67 4.001 -1.551 3.567 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.260 -2.395 3.833 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.999 -1.203 2.100 1.00 11.66 C ATOM 0 H LEU A 67 3.114 -4.425 5.533 1.00 4.17 H new ATOM 0 HA LEU A 67 3.025 -1.580 6.180 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.658 -3.228 3.613 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.867 -1.674 3.784 1.00 7.18 H new ATOM 0 HG LEU A 67 4.006 -0.612 4.121 1.00 9.67 H new ATOM 0 HD11 LEU A 67 6.136 -1.873 3.448 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.373 -2.551 4.906 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.164 -3.359 3.334 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.938 -0.713 1.841 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.890 -2.113 1.510 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.168 -0.531 1.887 1.00 11.66 H new ATOM 1079 N HIS A 68 0.423 -1.658 6.123 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.961 -1.759 6.513 1.00 4.17 C ATOM 1081 C HIS A 68 -1.830 -1.090 5.456 1.00 5.32 C ATOM 1082 O HIS A 68 -1.448 -0.247 4.640 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.352 -1.146 7.949 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.728 -1.992 8.963 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.577 -1.893 9.420 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.184 -3.158 9.430 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.794 -2.959 10.260 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.281 -3.723 10.296 1.00 16.30 N ATOM 0 H HIS A 68 0.723 -0.717 5.867 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.138 -2.831 6.600 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.002 -0.118 8.037 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.434 -1.126 8.077 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.134 -3.596 9.162 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.706 -3.143 10.808 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.415 -4.565 10.856 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.104 -1.397 5.438 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.104 -1.006 4.487 1.00 3.97 C ATOM 1098 C LEU A 69 -5.431 -0.837 5.247 1.00 5.07 C ATOM 1099 O LEU A 69 -5.854 -1.749 5.932 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.156 -2.044 3.306 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.397 -1.956 2.402 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.676 -0.600 1.759 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.304 -3.085 1.416 1.00 9.96 C ATOM 0 H LEU A 69 -3.502 -1.989 6.167 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.874 -0.051 4.015 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.268 -1.910 2.688 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.104 -3.049 3.726 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.280 -2.058 3.033 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.575 -0.666 1.147 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.821 0.149 2.538 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.831 -0.313 1.133 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.168 -3.060 0.752 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.392 -2.981 0.828 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.284 -4.035 1.951 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.139 0.245 5.172 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.504 0.308 5.550 1.00 6.26 C ATOM 1117 C VAL A 70 -8.291 0.912 4.461 1.00 9.22 C ATOM 1118 O VAL A 70 -7.790 1.589 3.612 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.704 1.155 6.831 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.961 0.508 8.008 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -7.241 2.650 6.673 1.00 8.54 C ATOM 0 H VAL A 70 -5.766 1.133 4.835 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.838 -0.710 5.749 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.777 1.176 7.021 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.107 1.110 8.905 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.351 -0.496 8.177 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.897 0.450 7.779 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -7.410 3.184 7.608 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.180 2.678 6.426 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.812 3.125 5.875 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.586 0.651 4.433 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.463 1.218 3.507 1.00 16.06 C ATOM 1133 C LEU A 71 -10.570 2.734 3.607 1.00 18.09 C ATOM 1134 O LEU A 71 -10.497 3.378 4.659 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.867 0.549 3.602 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.806 -0.979 3.177 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.177 -1.706 3.500 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.540 -1.122 1.743 1.00 19.57 C ATOM 0 H LEU A 71 -10.040 0.014 5.088 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.036 1.019 2.524 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.243 0.631 4.622 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.570 1.080 2.960 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.996 -1.435 3.746 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.113 -2.752 3.201 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.377 -1.646 4.570 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.984 -1.220 2.952 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.504 -2.180 1.483 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.333 -0.636 1.176 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.584 -0.657 1.502 1.00 19.57 H new