USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 594 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 28 ASN : amide:sc= -5.79 K(o=-11,f=-13) USER MOD Set 1.2: A 64 ASN :FLIP amide:sc= -5.41! C(o=-13!,f=-11!) USER MOD Set 2.1: A 3 SER OG : rot 180:sc= -1.5 USER MOD Set 2.2: A 4 THR OG1 : rot 139:sc= -2.5 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -119:sc= -0.44 (180deg=-2.98!) USER MOD Single : A 13 SER OG : rot 53:sc= 0.123 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.44 K(o=-0.44,f=-1.1) USER MOD Single : A 17 SER OG : rot 180:sc= -0.754 USER MOD Single : A 22 LYS NZ :NH3+ -161:sc= -0.961 (180deg=-2.15!) USER MOD Single : A 24 GLN :FLIP amide:sc= -2.46! C(o=-5.5!,f=-2.5!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.797 K(o=-0.8,f=-2.6!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -12:sc= 0.913 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0272 USER MOD Single : A 45 MET CE :methyl -126:sc= -0.564 (180deg=-2.52) USER MOD Single : A 50 LYS NZ :NH3+ -135:sc= -0.681 (180deg=-4.47!) USER MOD Single : A 52 ASN : amide:sc= -0.0848 X(o=-0.085,f=-0.2) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.315) USER MOD Single : A 65 THR OG1 : rot 148:sc= -1.41 USER MOD Single : A 67 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.16) USER MOD Single : A 72 TYR OH : rot 150:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 140:sc= -0.212 (180deg=-1.82!) USER MOD Single : A 76 ASN : amide:sc= -2.08 X(o=-2.1,f=-2.2!) USER MOD Single : A 77 ASN : amide:sc= -2.06 K(o=-2.1,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 -0.765 6.450 -0.006 1.00 0.00 N ATOM 43 CA SER A 3 -0.391 5.284 0.786 1.00 0.00 C ATOM 44 C SER A 3 -1.461 4.969 1.828 1.00 0.00 C ATOM 45 O SER A 3 -2.117 3.929 1.767 1.00 0.00 O ATOM 46 CB SER A 3 0.954 5.519 1.475 1.00 0.00 C ATOM 47 OG SER A 3 1.069 6.858 1.925 1.00 0.00 O ATOM 0 HA SER A 3 -0.302 4.432 0.113 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.057 4.838 2.320 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.765 5.294 0.783 1.00 0.00 H new ATOM 0 HG SER A 3 1.937 6.983 2.363 1.00 0.00 H new ATOM 53 N THR A 4 -1.631 5.876 2.785 1.00 0.00 N ATOM 54 CA THR A 4 -2.619 5.696 3.841 1.00 0.00 C ATOM 55 C THR A 4 -3.986 5.350 3.262 1.00 0.00 C ATOM 56 O THR A 4 -4.712 4.521 3.811 1.00 0.00 O ATOM 57 CB THR A 4 -2.747 6.960 4.711 1.00 0.00 C ATOM 58 OG1 THR A 4 -1.757 7.921 4.329 1.00 0.00 O ATOM 59 CG2 THR A 4 -2.589 6.621 6.186 1.00 0.00 C ATOM 0 H THR A 4 -1.097 6.743 2.850 1.00 0.00 H new ATOM 0 HA THR A 4 -2.271 4.870 4.462 1.00 0.00 H new ATOM 0 HB THR A 4 -3.740 7.381 4.556 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.155 8.817 4.325 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.683 7.530 6.780 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.363 5.912 6.481 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.608 6.178 6.354 1.00 0.00 H new ATOM 67 N PHE A 5 -4.332 5.989 2.150 1.00 0.00 N ATOM 68 CA PHE A 5 -5.613 5.749 1.497 1.00 0.00 C ATOM 69 C PHE A 5 -5.903 4.254 1.401 1.00 0.00 C ATOM 70 O PHE A 5 -7.049 3.824 1.529 1.00 0.00 O ATOM 71 CB PHE A 5 -5.621 6.372 0.099 1.00 0.00 C ATOM 72 CG PHE A 5 -6.891 6.119 -0.662 1.00 0.00 C ATOM 73 CD1 PHE A 5 -8.106 6.034 -0.001 1.00 0.00 C ATOM 74 CD2 PHE A 5 -6.870 5.965 -2.039 1.00 0.00 C ATOM 75 CE1 PHE A 5 -9.276 5.802 -0.699 1.00 0.00 C ATOM 76 CE2 PHE A 5 -8.037 5.733 -2.742 1.00 0.00 C ATOM 77 CZ PHE A 5 -9.242 5.650 -2.071 1.00 0.00 C ATOM 0 H PHE A 5 -3.743 6.678 1.682 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.393 6.215 2.100 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.468 7.448 0.188 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.780 5.977 -0.471 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.139 6.150 1.072 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.931 6.027 -2.569 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -10.216 5.740 -0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.007 5.617 -3.815 1.00 0.00 H new ATOM 0 HZ PHE A 5 -10.155 5.467 -2.618 1.00 0.00 H new ATOM 87 N ASP A 6 -4.856 3.468 1.175 1.00 0.00 N ATOM 88 CA ASP A 6 -4.997 2.021 1.063 1.00 0.00 C ATOM 89 C ASP A 6 -5.686 1.445 2.296 1.00 0.00 C ATOM 90 O ASP A 6 -6.845 1.034 2.236 1.00 0.00 O ATOM 91 CB ASP A 6 -3.627 1.367 0.877 1.00 0.00 C ATOM 92 CG ASP A 6 -3.698 -0.147 0.917 1.00 0.00 C ATOM 93 OD1 ASP A 6 -3.680 -0.713 2.030 1.00 0.00 O ATOM 94 OD2 ASP A 6 -3.773 -0.766 -0.165 1.00 0.00 O ATOM 0 H ASP A 6 -3.901 3.808 1.066 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.615 1.807 0.191 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.203 1.683 -0.076 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.952 1.717 1.658 1.00 0.00 H new ATOM 99 N ASP A 7 -4.965 1.416 3.411 1.00 0.00 N ATOM 100 CA ASP A 7 -5.507 0.890 4.659 1.00 0.00 C ATOM 101 C ASP A 7 -6.743 1.675 5.088 1.00 0.00 C ATOM 102 O ASP A 7 -7.647 1.130 5.722 1.00 0.00 O ATOM 103 CB ASP A 7 -4.448 0.940 5.761 1.00 0.00 C ATOM 104 CG ASP A 7 -3.281 0.014 5.485 1.00 0.00 C ATOM 105 OD1 ASP A 7 -3.374 -1.180 5.838 1.00 0.00 O ATOM 106 OD2 ASP A 7 -2.273 0.483 4.915 1.00 0.00 O ATOM 0 H ASP A 7 -4.004 1.750 3.477 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.797 -0.147 4.492 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.081 1.961 5.862 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.905 0.670 6.713 1.00 0.00 H new ATOM 111 N ILE A 8 -6.775 2.957 4.739 1.00 0.00 N ATOM 112 CA ILE A 8 -7.900 3.815 5.088 1.00 0.00 C ATOM 113 C ILE A 8 -9.173 3.368 4.379 1.00 0.00 C ATOM 114 O ILE A 8 -10.262 3.405 4.953 1.00 0.00 O ATOM 115 CB ILE A 8 -7.617 5.287 4.731 1.00 0.00 C ATOM 116 CG1 ILE A 8 -7.169 6.059 5.974 1.00 0.00 C ATOM 117 CG2 ILE A 8 -8.851 5.930 4.118 1.00 0.00 C ATOM 118 CD1 ILE A 8 -5.693 5.917 6.274 1.00 0.00 C ATOM 0 H ILE A 8 -6.035 3.424 4.215 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.039 3.731 6.166 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.812 5.319 3.997 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.404 7.115 5.840 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.741 5.711 6.834 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.635 6.970 3.871 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.129 5.392 3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.674 5.890 4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.447 6.490 7.168 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.455 4.866 6.440 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.113 6.292 5.431 1.00 0.00 H new ATOM 130 N LYS A 9 -9.030 2.943 3.129 1.00 0.00 N ATOM 131 CA LYS A 9 -10.168 2.485 2.341 1.00 0.00 C ATOM 132 C LYS A 9 -10.590 1.081 2.761 1.00 0.00 C ATOM 133 O LYS A 9 -11.724 0.664 2.521 1.00 0.00 O ATOM 134 CB LYS A 9 -9.821 2.500 0.850 1.00 0.00 C ATOM 135 CG LYS A 9 -9.295 1.172 0.335 1.00 0.00 C ATOM 136 CD LYS A 9 -8.329 1.366 -0.822 1.00 0.00 C ATOM 137 CE LYS A 9 -9.023 1.188 -2.164 1.00 0.00 C ATOM 138 NZ LYS A 9 -8.551 -0.032 -2.876 1.00 0.00 N ATOM 0 H LYS A 9 -8.136 2.906 2.639 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.001 3.165 2.521 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.710 2.774 0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.074 3.273 0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.794 0.640 1.144 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.130 0.549 0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.890 2.362 -0.768 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.510 0.652 -0.737 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.100 1.125 -2.010 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.841 2.064 -2.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.048 -0.117 -3.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.527 0.039 -3.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.748 -0.871 -2.294 1.00 0.00 H new ATOM 152 N LYS A 10 -9.672 0.355 3.390 1.00 0.00 N ATOM 153 CA LYS A 10 -9.950 -1.001 3.848 1.00 0.00 C ATOM 154 C LYS A 10 -10.677 -0.986 5.189 1.00 0.00 C ATOM 155 O LYS A 10 -11.515 -1.846 5.461 1.00 0.00 O ATOM 156 CB LYS A 10 -8.648 -1.797 3.970 1.00 0.00 C ATOM 157 CG LYS A 10 -8.207 -2.024 5.406 1.00 0.00 C ATOM 158 CD LYS A 10 -6.832 -2.666 5.471 1.00 0.00 C ATOM 159 CE LYS A 10 -6.927 -4.166 5.703 1.00 0.00 C ATOM 160 NZ LYS A 10 -5.583 -4.794 5.834 1.00 0.00 N ATOM 0 H LYS A 10 -8.728 0.683 3.594 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.595 -1.481 3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.775 -2.763 3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.858 -1.270 3.435 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.191 -1.073 5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.931 -2.661 5.914 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.295 -2.474 4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.253 -2.209 6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.507 -4.358 6.606 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.464 -4.628 4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.453 -5.497 5.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.849 -4.062 5.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.507 -5.262 6.760 1.00 0.00 H new ATOM 174 N ILE A 11 -10.351 -0.003 6.021 1.00 0.00 N ATOM 175 CA ILE A 11 -10.975 0.125 7.332 1.00 0.00 C ATOM 176 C ILE A 11 -12.384 0.698 7.217 1.00 0.00 C ATOM 177 O ILE A 11 -13.294 0.283 7.935 1.00 0.00 O ATOM 178 CB ILE A 11 -10.143 1.024 8.266 1.00 0.00 C ATOM 179 CG1 ILE A 11 -9.899 2.387 7.615 1.00 0.00 C ATOM 180 CG2 ILE A 11 -8.822 0.351 8.610 1.00 0.00 C ATOM 181 CD1 ILE A 11 -9.072 3.324 8.467 1.00 0.00 C ATOM 0 H ILE A 11 -9.659 0.716 5.811 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.026 -0.878 7.756 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.701 1.179 9.189 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.397 2.239 6.659 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.860 2.856 7.401 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.245 0.998 9.271 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.016 -0.598 9.110 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.257 0.170 7.696 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.939 4.270 7.943 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.583 3.502 9.413 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.097 2.876 8.660 1.00 0.00 H new ATOM 193 N ILE A 12 -12.556 1.651 6.308 1.00 0.00 N ATOM 194 CA ILE A 12 -13.855 2.278 6.096 1.00 0.00 C ATOM 195 C ILE A 12 -14.788 1.360 5.315 1.00 0.00 C ATOM 196 O ILE A 12 -16.002 1.369 5.521 1.00 0.00 O ATOM 197 CB ILE A 12 -13.719 3.615 5.343 1.00 0.00 C ATOM 198 CG1 ILE A 12 -13.173 3.377 3.933 1.00 0.00 C ATOM 199 CG2 ILE A 12 -12.816 4.567 6.113 1.00 0.00 C ATOM 200 CD1 ILE A 12 -12.987 4.648 3.135 1.00 0.00 C ATOM 0 H ILE A 12 -11.813 2.006 5.706 1.00 0.00 H new ATOM 0 HA ILE A 12 -14.278 2.468 7.082 1.00 0.00 H new ATOM 0 HB ILE A 12 -14.706 4.070 5.259 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.216 2.860 4.005 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -13.853 2.716 3.395 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -12.730 5.507 5.568 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -13.242 4.756 7.098 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.828 4.121 6.225 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.597 4.403 2.147 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -13.946 5.156 3.032 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.284 5.302 3.651 1.00 0.00 H new ATOM 212 N SER A 13 -14.213 0.565 4.418 1.00 0.00 N ATOM 213 CA SER A 13 -14.994 -0.359 3.604 1.00 0.00 C ATOM 214 C SER A 13 -15.539 -1.503 4.452 1.00 0.00 C ATOM 215 O SER A 13 -16.683 -1.926 4.284 1.00 0.00 O ATOM 216 CB SER A 13 -14.137 -0.917 2.465 1.00 0.00 C ATOM 217 OG SER A 13 -14.833 -1.923 1.749 1.00 0.00 O ATOM 0 H SER A 13 -13.209 0.542 4.237 1.00 0.00 H new ATOM 0 HA SER A 13 -15.836 0.190 3.182 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.858 -0.111 1.787 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.212 -1.328 2.869 1.00 0.00 H new ATOM 0 HG SER A 13 -15.705 -1.578 1.464 1.00 0.00 H new ATOM 223 N LYS A 14 -14.712 -2.001 5.366 1.00 0.00 N ATOM 224 CA LYS A 14 -15.109 -3.095 6.243 1.00 0.00 C ATOM 225 C LYS A 14 -15.978 -2.586 7.389 1.00 0.00 C ATOM 226 O LYS A 14 -16.796 -3.326 7.936 1.00 0.00 O ATOM 227 CB LYS A 14 -13.873 -3.803 6.802 1.00 0.00 C ATOM 228 CG LYS A 14 -13.187 -3.037 7.921 1.00 0.00 C ATOM 229 CD LYS A 14 -13.612 -3.547 9.287 1.00 0.00 C ATOM 230 CE LYS A 14 -12.463 -3.501 10.282 1.00 0.00 C ATOM 231 NZ LYS A 14 -11.662 -4.756 10.263 1.00 0.00 N ATOM 0 H LYS A 14 -13.762 -1.663 5.518 1.00 0.00 H new ATOM 0 HA LYS A 14 -15.692 -3.805 5.656 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.164 -4.786 7.171 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.160 -3.964 5.993 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.106 -3.130 7.817 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.426 -1.977 7.837 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.441 -2.945 9.659 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.976 -4.570 9.197 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.817 -2.654 10.051 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.857 -3.337 11.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.889 -4.685 10.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.273 -5.561 10.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.264 -4.900 9.313 1.00 0.00 H new ATOM 245 N GLN A 15 -15.795 -1.319 7.746 1.00 0.00 N ATOM 246 CA GLN A 15 -16.563 -0.712 8.827 1.00 0.00 C ATOM 247 C GLN A 15 -17.969 -0.352 8.360 1.00 0.00 C ATOM 248 O GLN A 15 -18.960 -0.822 8.920 1.00 0.00 O ATOM 249 CB GLN A 15 -15.850 0.538 9.348 1.00 0.00 C ATOM 250 CG GLN A 15 -14.829 0.247 10.436 1.00 0.00 C ATOM 251 CD GLN A 15 -15.421 -0.520 11.602 1.00 0.00 C ATOM 252 OE1 GLN A 15 -16.617 -0.423 11.881 1.00 0.00 O ATOM 253 NE2 GLN A 15 -14.586 -1.289 12.290 1.00 0.00 N ATOM 0 H GLN A 15 -15.122 -0.693 7.303 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.643 -1.439 9.635 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -15.351 1.035 8.516 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -16.593 1.235 9.736 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.004 -0.325 10.011 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.412 1.187 10.798 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.603 -1.340 12.024 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.928 -1.829 13.085 1.00 0.00 H new ATOM 262 N LEU A 16 -18.050 0.485 7.331 1.00 0.00 N ATOM 263 CA LEU A 16 -19.335 0.908 6.788 1.00 0.00 C ATOM 264 C LEU A 16 -19.608 0.237 5.445 1.00 0.00 C ATOM 265 O LEU A 16 -20.490 -0.613 5.333 1.00 0.00 O ATOM 266 CB LEU A 16 -19.367 2.429 6.626 1.00 0.00 C ATOM 267 CG LEU A 16 -18.706 3.237 7.744 1.00 0.00 C ATOM 268 CD1 LEU A 16 -17.226 3.437 7.454 1.00 0.00 C ATOM 269 CD2 LEU A 16 -19.403 4.578 7.917 1.00 0.00 C ATOM 0 H LEU A 16 -17.240 0.884 6.856 1.00 0.00 H new ATOM 0 HA LEU A 16 -20.114 0.606 7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.881 2.684 5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -20.407 2.744 6.544 1.00 0.00 H new ATOM 0 HG LEU A 16 -18.801 2.678 8.675 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.772 4.014 8.260 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.735 2.467 7.381 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -17.109 3.974 6.513 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -18.919 5.139 8.717 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -19.340 5.144 6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.450 4.414 8.171 1.00 0.00 H new ATOM 281 N SER A 17 -18.842 0.624 4.430 1.00 0.00 N ATOM 282 CA SER A 17 -19.001 0.061 3.095 1.00 0.00 C ATOM 283 C SER A 17 -18.022 0.700 2.115 1.00 0.00 C ATOM 284 O SER A 17 -17.248 0.009 1.452 1.00 0.00 O ATOM 285 CB SER A 17 -20.436 0.259 2.602 1.00 0.00 C ATOM 286 OG SER A 17 -20.548 -0.042 1.222 1.00 0.00 O ATOM 0 H SER A 17 -18.105 1.325 4.507 1.00 0.00 H new ATOM 0 HA SER A 17 -18.787 -1.006 3.151 1.00 0.00 H new ATOM 0 HB2 SER A 17 -21.111 -0.379 3.172 1.00 0.00 H new ATOM 0 HB3 SER A 17 -20.746 1.289 2.779 1.00 0.00 H new ATOM 0 HG SER A 17 -21.475 0.091 0.932 1.00 0.00 H new ATOM 292 N VAL A 18 -18.063 2.026 2.028 1.00 0.00 N ATOM 293 CA VAL A 18 -17.180 2.761 1.131 1.00 0.00 C ATOM 294 C VAL A 18 -17.519 4.247 1.121 1.00 0.00 C ATOM 295 O VAL A 18 -18.689 4.626 1.142 1.00 0.00 O ATOM 296 CB VAL A 18 -17.263 2.217 -0.308 1.00 0.00 C ATOM 297 CG1 VAL A 18 -18.712 1.989 -0.710 1.00 0.00 C ATOM 298 CG2 VAL A 18 -16.575 3.167 -1.277 1.00 0.00 C ATOM 0 H VAL A 18 -18.699 2.613 2.568 1.00 0.00 H new ATOM 0 HA VAL A 18 -16.165 2.626 1.505 1.00 0.00 H new ATOM 0 HB VAL A 18 -16.746 1.258 -0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -18.751 1.605 -1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -19.168 1.267 -0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -19.257 2.931 -0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.643 2.767 -2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -17.062 4.142 -1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -15.526 3.274 -0.999 1.00 0.00 H new ATOM 308 N GLU A 19 -16.487 5.084 1.088 1.00 0.00 N ATOM 309 CA GLU A 19 -16.676 6.530 1.076 1.00 0.00 C ATOM 310 C GLU A 19 -15.422 7.239 0.574 1.00 0.00 C ATOM 311 O GLU A 19 -15.041 8.289 1.091 1.00 0.00 O ATOM 312 CB GLU A 19 -17.033 7.032 2.476 1.00 0.00 C ATOM 313 CG GLU A 19 -15.885 6.940 3.467 1.00 0.00 C ATOM 314 CD GLU A 19 -16.357 6.929 4.908 1.00 0.00 C ATOM 315 OE1 GLU A 19 -17.425 6.341 5.178 1.00 0.00 O ATOM 316 OE2 GLU A 19 -15.657 7.507 5.765 1.00 0.00 O ATOM 0 H GLU A 19 -15.512 4.786 1.069 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.497 6.757 0.396 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.361 8.069 2.408 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.876 6.455 2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.311 6.034 3.270 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -15.211 7.783 3.316 1.00 0.00 H new ATOM 323 N GLU A 20 -14.784 6.657 -0.437 1.00 0.00 N ATOM 324 CA GLU A 20 -13.572 7.232 -1.008 1.00 0.00 C ATOM 325 C GLU A 20 -13.889 8.505 -1.788 1.00 0.00 C ATOM 326 O GLU A 20 -13.001 9.308 -2.073 1.00 0.00 O ATOM 327 CB GLU A 20 -12.882 6.219 -1.923 1.00 0.00 C ATOM 328 CG GLU A 20 -13.572 6.041 -3.265 1.00 0.00 C ATOM 329 CD GLU A 20 -13.652 4.588 -3.692 1.00 0.00 C ATOM 330 OE1 GLU A 20 -12.703 3.831 -3.396 1.00 0.00 O ATOM 331 OE2 GLU A 20 -14.661 4.208 -4.321 1.00 0.00 O ATOM 0 H GLU A 20 -15.086 5.788 -0.877 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.900 7.486 -0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.853 6.537 -2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.838 5.255 -1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.579 6.455 -3.209 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.035 6.610 -4.024 1.00 0.00 H new ATOM 338 N ASP A 21 -15.160 8.681 -2.130 1.00 0.00 N ATOM 339 CA ASP A 21 -15.596 9.855 -2.877 1.00 0.00 C ATOM 340 C ASP A 21 -15.992 10.985 -1.931 1.00 0.00 C ATOM 341 O ASP A 21 -17.019 11.636 -2.120 1.00 0.00 O ATOM 342 CB ASP A 21 -16.773 9.500 -3.787 1.00 0.00 C ATOM 343 CG ASP A 21 -16.515 8.249 -4.604 1.00 0.00 C ATOM 344 OD1 ASP A 21 -16.673 7.139 -4.055 1.00 0.00 O ATOM 345 OD2 ASP A 21 -16.155 8.381 -5.793 1.00 0.00 O ATOM 0 H ASP A 21 -15.907 8.025 -1.902 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.762 10.194 -3.491 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -17.667 9.357 -3.181 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -16.974 10.334 -4.459 1.00 0.00 H new ATOM 350 N LYS A 22 -15.170 11.211 -0.911 1.00 0.00 N ATOM 351 CA LYS A 22 -15.433 12.261 0.065 1.00 0.00 C ATOM 352 C LYS A 22 -14.352 12.286 1.142 1.00 0.00 C ATOM 353 O LYS A 22 -14.013 13.345 1.669 1.00 0.00 O ATOM 354 CB LYS A 22 -16.805 12.055 0.709 1.00 0.00 C ATOM 355 CG LYS A 22 -17.033 10.642 1.216 1.00 0.00 C ATOM 356 CD LYS A 22 -16.532 10.473 2.641 1.00 0.00 C ATOM 357 CE LYS A 22 -17.670 10.552 3.646 1.00 0.00 C ATOM 358 NZ LYS A 22 -18.453 11.811 3.500 1.00 0.00 N ATOM 0 H LYS A 22 -14.316 10.680 -0.739 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.424 13.218 -0.457 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.916 12.752 1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.579 12.300 -0.018 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -18.096 10.406 1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.523 9.934 0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -16.026 9.513 2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.795 11.245 2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.331 9.696 3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -17.267 10.490 4.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -18.994 11.987 4.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.804 12.606 3.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.109 11.721 2.698 1.00 0.00 H new ATOM 372 N ILE A 23 -13.816 11.113 1.461 1.00 0.00 N ATOM 373 CA ILE A 23 -12.772 11.002 2.473 1.00 0.00 C ATOM 374 C ILE A 23 -11.450 11.565 1.963 1.00 0.00 C ATOM 375 O ILE A 23 -10.535 11.828 2.743 1.00 0.00 O ATOM 376 CB ILE A 23 -12.562 9.539 2.906 1.00 0.00 C ATOM 377 CG1 ILE A 23 -11.750 9.479 4.202 1.00 0.00 C ATOM 378 CG2 ILE A 23 -11.867 8.755 1.803 1.00 0.00 C ATOM 379 CD1 ILE A 23 -12.435 10.144 5.375 1.00 0.00 C ATOM 0 H ILE A 23 -14.087 10.227 1.034 1.00 0.00 H new ATOM 0 HA ILE A 23 -13.103 11.583 3.334 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.537 9.086 3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.553 8.436 4.450 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.783 9.955 4.038 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.726 7.723 2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.480 8.774 0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.897 9.206 1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.803 10.063 6.259 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.608 11.196 5.147 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.389 9.653 5.565 1.00 0.00 H new ATOM 391 N GLN A 24 -11.358 11.748 0.650 1.00 0.00 N ATOM 392 CA GLN A 24 -10.147 12.281 0.036 1.00 0.00 C ATOM 393 C GLN A 24 -10.289 13.774 -0.241 1.00 0.00 C ATOM 394 O GLN A 24 -10.466 14.188 -1.386 1.00 0.00 O ATOM 395 CB GLN A 24 -9.839 11.536 -1.264 1.00 0.00 C ATOM 396 CG GLN A 24 -8.519 10.782 -1.234 1.00 0.00 C ATOM 397 CD GLN A 24 -8.683 9.334 -0.815 1.00 0.00 C ATOM 398 OE1 GLN A 24 -9.086 9.121 0.431 1.00 0.00 O flip ATOM 399 NE2 GLN A 24 -8.449 8.418 -1.604 1.00 0.00 N flip ATOM 0 H GLN A 24 -12.107 11.535 -0.009 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.322 12.136 0.734 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.646 10.832 -1.470 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.821 12.250 -2.087 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.060 10.821 -2.222 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.836 11.280 -0.546 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.141 8.629 -2.553 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.563 7.449 -1.308 1.00 0.00 H new ATOM 408 N MET A 25 -10.211 14.576 0.816 1.00 0.00 N ATOM 409 CA MET A 25 -10.330 16.024 0.685 1.00 0.00 C ATOM 410 C MET A 25 -9.079 16.722 1.210 1.00 0.00 C ATOM 411 O MET A 25 -8.921 17.932 1.055 1.00 0.00 O ATOM 412 CB MET A 25 -11.563 16.526 1.440 1.00 0.00 C ATOM 413 CG MET A 25 -12.773 16.749 0.547 1.00 0.00 C ATOM 414 SD MET A 25 -13.113 18.497 0.263 1.00 0.00 S ATOM 415 CE MET A 25 -13.032 18.571 -1.525 1.00 0.00 C ATOM 0 H MET A 25 -10.066 14.249 1.771 1.00 0.00 H new ATOM 0 HA MET A 25 -10.439 16.260 -0.373 1.00 0.00 H new ATOM 0 HB2 MET A 25 -11.822 15.806 2.216 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.315 17.461 1.943 1.00 0.00 H new ATOM 0 HG2 MET A 25 -12.609 16.254 -0.410 1.00 0.00 H new ATOM 0 HG3 MET A 25 -13.647 16.282 1.002 1.00 0.00 H new ATOM 0 HE1 MET A 25 -13.222 19.592 -1.856 1.00 0.00 H new ATOM 0 HE2 MET A 25 -12.042 18.260 -1.858 1.00 0.00 H new ATOM 0 HE3 MET A 25 -13.783 17.906 -1.951 1.00 0.00 H new ATOM 425 N ASN A 26 -8.194 15.950 1.832 1.00 0.00 N ATOM 426 CA ASN A 26 -6.957 16.495 2.381 1.00 0.00 C ATOM 427 C ASN A 26 -7.251 17.508 3.484 1.00 0.00 C ATOM 428 O ASN A 26 -6.411 18.345 3.812 1.00 0.00 O ATOM 429 CB ASN A 26 -6.131 17.155 1.274 1.00 0.00 C ATOM 430 CG ASN A 26 -6.193 16.385 -0.031 1.00 0.00 C ATOM 431 OD1 ASN A 26 -7.125 16.550 -0.818 1.00 0.00 O ATOM 432 ND2 ASN A 26 -5.198 15.538 -0.265 1.00 0.00 N ATOM 0 H ASN A 26 -8.310 14.946 1.969 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.386 15.672 2.811 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.492 18.170 1.111 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.093 17.234 1.597 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.185 14.991 -1.126 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.446 15.434 0.416 1.00 0.00 H new ATOM 439 N SER A 27 -8.450 17.424 4.052 1.00 0.00 N ATOM 440 CA SER A 27 -8.856 18.334 5.116 1.00 0.00 C ATOM 441 C SER A 27 -8.911 17.611 6.458 1.00 0.00 C ATOM 442 O SER A 27 -8.014 17.752 7.288 1.00 0.00 O ATOM 443 CB SER A 27 -10.222 18.947 4.798 1.00 0.00 C ATOM 444 OG SER A 27 -10.138 19.835 3.697 1.00 0.00 O ATOM 0 H SER A 27 -9.157 16.735 3.793 1.00 0.00 H new ATOM 0 HA SER A 27 -8.114 19.130 5.182 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.937 18.155 4.577 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.597 19.480 5.672 1.00 0.00 H new ATOM 0 HG SER A 27 -11.024 20.212 3.513 1.00 0.00 H new ATOM 450 N ASN A 28 -9.971 16.837 6.663 1.00 0.00 N ATOM 451 CA ASN A 28 -10.145 16.091 7.905 1.00 0.00 C ATOM 452 C ASN A 28 -10.998 14.847 7.677 1.00 0.00 C ATOM 453 O ASN A 28 -11.578 14.666 6.607 1.00 0.00 O ATOM 454 CB ASN A 28 -10.791 16.979 8.971 1.00 0.00 C ATOM 455 CG ASN A 28 -10.195 18.373 9.001 1.00 0.00 C ATOM 456 OD1 ASN A 28 -9.293 18.657 9.790 1.00 0.00 O ATOM 457 ND2 ASN A 28 -10.698 19.250 8.141 1.00 0.00 N ATOM 0 H ASN A 28 -10.723 16.709 5.986 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.161 15.776 8.252 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.862 17.049 8.781 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.670 16.514 9.949 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.337 20.204 8.116 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.445 18.970 7.506 1.00 0.00 H new ATOM 464 N PHE A 29 -11.070 13.992 8.692 1.00 0.00 N ATOM 465 CA PHE A 29 -11.852 12.764 8.604 1.00 0.00 C ATOM 466 C PHE A 29 -13.180 12.911 9.340 1.00 0.00 C ATOM 467 O PHE A 29 -14.150 12.213 9.040 1.00 0.00 O ATOM 468 CB PHE A 29 -11.062 11.589 9.184 1.00 0.00 C ATOM 469 CG PHE A 29 -10.402 10.736 8.138 1.00 0.00 C ATOM 470 CD1 PHE A 29 -9.424 11.265 7.311 1.00 0.00 C ATOM 471 CD2 PHE A 29 -10.759 9.407 7.983 1.00 0.00 C ATOM 472 CE1 PHE A 29 -8.815 10.482 6.347 1.00 0.00 C ATOM 473 CE2 PHE A 29 -10.154 8.619 7.021 1.00 0.00 C ATOM 474 CZ PHE A 29 -9.180 9.158 6.203 1.00 0.00 C ATOM 0 H PHE A 29 -10.596 14.127 9.585 1.00 0.00 H new ATOM 0 HA PHE A 29 -12.060 12.570 7.552 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.300 11.973 9.862 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.733 10.968 9.778 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.134 12.300 7.420 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.519 8.981 8.621 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.055 10.906 5.708 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.442 7.584 6.909 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.705 8.545 5.452 1.00 0.00 H new ATOM 484 N THR A 30 -13.218 13.824 10.305 1.00 0.00 N ATOM 485 CA THR A 30 -14.425 14.063 11.085 1.00 0.00 C ATOM 486 C THR A 30 -14.878 15.514 10.968 1.00 0.00 C ATOM 487 O THR A 30 -15.872 15.916 11.574 1.00 0.00 O ATOM 488 CB THR A 30 -14.210 13.723 12.572 1.00 0.00 C ATOM 489 OG1 THR A 30 -15.363 14.100 13.333 1.00 0.00 O ATOM 490 CG2 THR A 30 -12.981 14.434 13.118 1.00 0.00 C ATOM 0 H THR A 30 -12.425 14.411 10.565 1.00 0.00 H new ATOM 0 HA THR A 30 -15.197 13.410 10.678 1.00 0.00 H new ATOM 0 HB THR A 30 -14.055 12.647 12.657 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.947 14.663 12.784 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.850 14.178 14.169 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.101 14.122 12.556 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.111 15.512 13.020 1.00 0.00 H new ATOM 498 N LYS A 31 -14.144 16.296 10.185 1.00 0.00 N ATOM 499 CA LYS A 31 -14.470 17.703 9.986 1.00 0.00 C ATOM 500 C LYS A 31 -14.863 17.971 8.536 1.00 0.00 C ATOM 501 O LYS A 31 -15.738 18.793 8.262 1.00 0.00 O ATOM 502 CB LYS A 31 -13.281 18.584 10.374 1.00 0.00 C ATOM 503 CG LYS A 31 -12.453 18.020 11.516 1.00 0.00 C ATOM 504 CD LYS A 31 -11.289 18.932 11.864 1.00 0.00 C ATOM 505 CE LYS A 31 -11.518 19.649 13.186 1.00 0.00 C ATOM 506 NZ LYS A 31 -10.886 20.997 13.202 1.00 0.00 N ATOM 0 H LYS A 31 -13.318 15.979 9.677 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.318 17.947 10.625 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.640 18.718 9.503 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.648 19.571 10.655 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.086 17.885 12.393 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.075 17.035 11.241 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.371 18.347 11.921 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.151 19.666 11.070 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.589 19.748 13.365 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.113 19.048 14.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.064 21.453 14.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.861 20.901 13.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.291 21.579 12.441 1.00 0.00 H new ATOM 520 N ASP A 32 -14.212 17.272 7.613 1.00 0.00 N ATOM 521 CA ASP A 32 -14.495 17.432 6.192 1.00 0.00 C ATOM 522 C ASP A 32 -15.773 16.694 5.806 1.00 0.00 C ATOM 523 O ASP A 32 -16.536 17.154 4.955 1.00 0.00 O ATOM 524 CB ASP A 32 -13.322 16.918 5.355 1.00 0.00 C ATOM 525 CG ASP A 32 -13.534 17.131 3.869 1.00 0.00 C ATOM 526 OD1 ASP A 32 -14.199 16.283 3.238 1.00 0.00 O ATOM 527 OD2 ASP A 32 -13.034 18.144 3.337 1.00 0.00 O ATOM 0 H ASP A 32 -13.484 16.589 7.824 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.636 18.494 5.992 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.408 17.425 5.665 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.178 15.855 5.550 1.00 0.00 H new ATOM 532 N LEU A 33 -16.001 15.547 6.435 1.00 0.00 N ATOM 533 CA LEU A 33 -17.187 14.744 6.157 1.00 0.00 C ATOM 534 C LEU A 33 -18.146 14.760 7.343 1.00 0.00 C ATOM 535 O LEU A 33 -19.354 14.591 7.180 1.00 0.00 O ATOM 536 CB LEU A 33 -16.786 13.304 5.830 1.00 0.00 C ATOM 537 CG LEU A 33 -15.457 12.827 6.417 1.00 0.00 C ATOM 538 CD1 LEU A 33 -15.485 11.325 6.650 1.00 0.00 C ATOM 539 CD2 LEU A 33 -14.303 13.205 5.499 1.00 0.00 C ATOM 0 H LEU A 33 -15.380 15.152 7.141 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.696 15.178 5.296 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -17.575 12.640 6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -16.740 13.198 4.746 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.308 13.320 7.378 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.531 11.004 7.068 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.287 11.080 7.346 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -15.657 10.813 5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.365 12.858 5.932 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.446 12.740 4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.270 14.288 5.383 1.00 0.00 H new ATOM 551 N GLY A 34 -17.599 14.968 8.537 1.00 0.00 N ATOM 552 CA GLY A 34 -18.421 15.005 9.733 1.00 0.00 C ATOM 553 C GLY A 34 -19.336 13.802 9.845 1.00 0.00 C ATOM 554 O GLY A 34 -20.544 13.947 10.029 1.00 0.00 O ATOM 0 H GLY A 34 -16.602 15.111 8.697 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.777 15.051 10.611 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.021 15.915 9.730 1.00 0.00 H new ATOM 558 N ALA A 35 -18.760 12.609 9.732 1.00 0.00 N ATOM 559 CA ALA A 35 -19.532 11.376 9.822 1.00 0.00 C ATOM 560 C ALA A 35 -19.948 11.093 11.262 1.00 0.00 C ATOM 561 O ALA A 35 -21.088 11.349 11.650 1.00 0.00 O ATOM 562 CB ALA A 35 -18.730 10.210 9.264 1.00 0.00 C ATOM 0 H ALA A 35 -17.761 12.471 9.578 1.00 0.00 H new ATOM 0 HA ALA A 35 -20.437 11.498 9.227 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -19.318 9.295 9.337 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -18.487 10.402 8.219 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -17.809 10.096 9.835 1.00 0.00 H new ATOM 568 N ASP A 36 -19.017 10.564 12.048 1.00 0.00 N ATOM 569 CA ASP A 36 -19.288 10.246 13.446 1.00 0.00 C ATOM 570 C ASP A 36 -18.074 9.593 14.099 1.00 0.00 C ATOM 571 O ASP A 36 -17.503 8.619 13.612 1.00 0.00 O ATOM 572 CB ASP A 36 -20.501 9.320 13.555 1.00 0.00 C ATOM 573 CG ASP A 36 -20.633 8.396 12.361 1.00 0.00 C ATOM 574 OD1 ASP A 36 -19.595 7.890 11.884 1.00 0.00 O ATOM 575 OD2 ASP A 36 -21.774 8.178 11.903 1.00 0.00 O ATOM 0 H ASP A 36 -18.069 10.346 11.742 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.504 11.177 13.970 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -20.419 8.724 14.464 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.406 9.921 13.648 1.00 0.00 H new ATOM 580 N SER A 37 -17.652 10.144 15.251 1.00 0.00 N ATOM 581 CA SER A 37 -16.497 9.697 16.061 1.00 0.00 C ATOM 582 C SER A 37 -16.392 8.165 16.151 1.00 0.00 C ATOM 583 O SER A 37 -15.316 7.581 16.017 1.00 0.00 O ATOM 584 CB SER A 37 -16.646 10.340 17.450 1.00 0.00 C ATOM 585 OG SER A 37 -17.792 9.829 18.133 1.00 0.00 O ATOM 0 H SER A 37 -18.125 10.948 15.664 1.00 0.00 H new ATOM 0 HA SER A 37 -15.569 10.013 15.586 1.00 0.00 H new ATOM 0 HB2 SER A 37 -15.751 10.148 18.041 1.00 0.00 H new ATOM 0 HB3 SER A 37 -16.733 11.422 17.346 1.00 0.00 H new ATOM 0 HG SER A 37 -17.863 10.252 19.014 1.00 0.00 H new ATOM 590 N LEU A 38 -17.535 7.530 16.383 1.00 0.00 N ATOM 591 CA LEU A 38 -17.594 6.077 16.496 1.00 0.00 C ATOM 592 C LEU A 38 -16.950 5.410 15.284 1.00 0.00 C ATOM 593 O LEU A 38 -16.102 4.529 15.426 1.00 0.00 O ATOM 594 CB LEU A 38 -19.046 5.615 16.634 1.00 0.00 C ATOM 595 CG LEU A 38 -19.915 6.415 17.605 1.00 0.00 C ATOM 596 CD1 LEU A 38 -20.760 7.431 16.852 1.00 0.00 C ATOM 597 CD2 LEU A 38 -20.800 5.484 18.421 1.00 0.00 C ATOM 0 H LEU A 38 -18.434 7.998 16.497 1.00 0.00 H new ATOM 0 HA LEU A 38 -17.039 5.784 17.387 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -19.512 5.648 15.649 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.046 4.572 16.952 1.00 0.00 H new ATOM 0 HG LEU A 38 -19.259 6.953 18.290 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -21.372 7.991 17.559 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.108 8.118 16.313 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.407 6.913 16.144 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -21.411 6.071 19.106 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.448 4.918 17.751 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -20.176 4.795 18.990 1.00 0.00 H new ATOM 609 N ASP A 39 -17.356 5.839 14.094 1.00 0.00 N ATOM 610 CA ASP A 39 -16.816 5.286 12.858 1.00 0.00 C ATOM 611 C ASP A 39 -15.319 5.556 12.750 1.00 0.00 C ATOM 612 O ASP A 39 -14.510 4.628 12.722 1.00 0.00 O ATOM 613 CB ASP A 39 -17.542 5.878 11.649 1.00 0.00 C ATOM 614 CG ASP A 39 -17.097 5.253 10.342 1.00 0.00 C ATOM 615 OD1 ASP A 39 -16.980 4.010 10.288 1.00 0.00 O ATOM 616 OD2 ASP A 39 -16.866 6.005 9.373 1.00 0.00 O ATOM 0 H ASP A 39 -18.057 6.568 13.959 1.00 0.00 H new ATOM 0 HA ASP A 39 -16.972 4.207 12.873 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -18.616 5.736 11.769 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.365 6.953 11.613 1.00 0.00 H new ATOM 621 N LEU A 40 -14.956 6.833 12.688 1.00 0.00 N ATOM 622 CA LEU A 40 -13.556 7.226 12.582 1.00 0.00 C ATOM 623 C LEU A 40 -12.702 6.480 13.601 1.00 0.00 C ATOM 624 O LEU A 40 -11.737 5.804 13.243 1.00 0.00 O ATOM 625 CB LEU A 40 -13.412 8.735 12.787 1.00 0.00 C ATOM 626 CG LEU A 40 -12.418 9.446 11.869 1.00 0.00 C ATOM 627 CD1 LEU A 40 -12.215 10.886 12.314 1.00 0.00 C ATOM 628 CD2 LEU A 40 -11.090 8.702 11.843 1.00 0.00 C ATOM 0 H LEU A 40 -15.612 7.613 12.709 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.207 6.966 11.583 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.391 9.194 12.654 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.114 8.914 13.820 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.828 9.454 10.859 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.504 11.376 11.648 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.167 11.415 12.280 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.828 10.901 13.333 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.394 9.222 11.185 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.675 8.662 12.850 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.248 7.688 11.476 1.00 0.00 H new ATOM 640 N VAL A 41 -13.064 6.605 14.874 1.00 0.00 N ATOM 641 CA VAL A 41 -12.333 5.939 15.946 1.00 0.00 C ATOM 642 C VAL A 41 -12.300 4.430 15.734 1.00 0.00 C ATOM 643 O VAL A 41 -11.351 3.758 16.136 1.00 0.00 O ATOM 644 CB VAL A 41 -12.957 6.240 17.322 1.00 0.00 C ATOM 645 CG1 VAL A 41 -12.246 5.455 18.414 1.00 0.00 C ATOM 646 CG2 VAL A 41 -12.912 7.733 17.611 1.00 0.00 C ATOM 0 H VAL A 41 -13.859 7.161 15.188 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.315 6.328 15.924 1.00 0.00 H new ATOM 0 HB VAL A 41 -14.001 5.928 17.305 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -12.700 5.680 19.379 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -12.335 4.388 18.212 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.192 5.734 18.435 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.357 7.928 18.587 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -11.876 8.073 17.610 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.471 8.269 16.844 1.00 0.00 H new ATOM 656 N GLU A 42 -13.344 3.904 15.100 1.00 0.00 N ATOM 657 CA GLU A 42 -13.434 2.473 14.835 1.00 0.00 C ATOM 658 C GLU A 42 -12.488 2.068 13.708 1.00 0.00 C ATOM 659 O GLU A 42 -11.475 1.406 13.940 1.00 0.00 O ATOM 660 CB GLU A 42 -14.870 2.088 14.473 1.00 0.00 C ATOM 661 CG GLU A 42 -15.711 1.679 15.671 1.00 0.00 C ATOM 662 CD GLU A 42 -15.839 0.174 15.806 1.00 0.00 C ATOM 663 OE1 GLU A 42 -16.659 -0.420 15.076 1.00 0.00 O ATOM 664 OE2 GLU A 42 -15.118 -0.409 16.643 1.00 0.00 O ATOM 0 H GLU A 42 -14.138 4.447 14.761 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.141 1.943 15.741 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -15.349 2.931 13.975 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.847 1.266 13.758 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.265 2.085 16.579 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -16.705 2.118 15.580 1.00 0.00 H new ATOM 671 N LEU A 43 -12.826 2.469 12.487 1.00 0.00 N ATOM 672 CA LEU A 43 -12.008 2.147 11.323 1.00 0.00 C ATOM 673 C LEU A 43 -10.533 2.420 11.601 1.00 0.00 C ATOM 674 O LEU A 43 -9.657 1.703 11.117 1.00 0.00 O ATOM 675 CB LEU A 43 -12.469 2.960 10.111 1.00 0.00 C ATOM 676 CG LEU A 43 -12.594 4.469 10.323 1.00 0.00 C ATOM 677 CD1 LEU A 43 -11.506 5.207 9.559 1.00 0.00 C ATOM 678 CD2 LEU A 43 -13.971 4.955 9.897 1.00 0.00 C ATOM 0 H LEU A 43 -13.660 3.017 12.278 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.128 1.085 11.108 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.769 2.785 9.294 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.437 2.577 9.789 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.469 4.679 11.385 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.611 6.280 9.722 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.528 4.880 9.912 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.598 4.991 8.495 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.042 6.031 10.055 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.125 4.732 8.841 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.734 4.450 10.489 1.00 0.00 H new ATOM 690 N ILE A 44 -10.267 3.459 12.385 1.00 0.00 N ATOM 691 CA ILE A 44 -8.899 3.824 12.730 1.00 0.00 C ATOM 692 C ILE A 44 -8.268 2.785 13.651 1.00 0.00 C ATOM 693 O ILE A 44 -7.136 2.356 13.436 1.00 0.00 O ATOM 694 CB ILE A 44 -8.839 5.203 13.413 1.00 0.00 C ATOM 695 CG1 ILE A 44 -9.030 6.317 12.381 1.00 0.00 C ATOM 696 CG2 ILE A 44 -7.517 5.374 14.147 1.00 0.00 C ATOM 697 CD1 ILE A 44 -7.831 6.518 11.481 1.00 0.00 C ATOM 0 H ILE A 44 -10.981 4.063 12.793 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.339 3.866 11.796 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.647 5.266 14.142 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.901 6.087 11.767 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.244 7.251 12.901 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.490 6.354 14.624 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.419 4.598 14.906 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.694 5.293 13.437 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.037 7.323 10.775 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.962 6.779 12.085 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.629 5.598 10.933 1.00 0.00 H new ATOM 709 N MET A 45 -9.011 2.385 14.678 1.00 0.00 N ATOM 710 CA MET A 45 -8.526 1.393 15.631 1.00 0.00 C ATOM 711 C MET A 45 -8.043 0.138 14.911 1.00 0.00 C ATOM 712 O MET A 45 -7.159 -0.566 15.398 1.00 0.00 O ATOM 713 CB MET A 45 -9.628 1.031 16.628 1.00 0.00 C ATOM 714 CG MET A 45 -10.493 -0.136 16.181 1.00 0.00 C ATOM 715 SD MET A 45 -9.924 -1.715 16.840 1.00 0.00 S ATOM 716 CE MET A 45 -10.289 -2.807 15.468 1.00 0.00 C ATOM 0 H MET A 45 -9.950 2.732 14.872 1.00 0.00 H new ATOM 0 HA MET A 45 -7.685 1.826 16.172 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.172 0.788 17.588 1.00 0.00 H new ATOM 0 HB3 MET A 45 -10.263 1.903 16.788 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.521 0.036 16.499 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.499 -0.182 15.092 1.00 0.00 H new ATOM 0 HE1 MET A 45 -10.902 -3.638 15.817 1.00 0.00 H new ATOM 0 HE2 MET A 45 -10.829 -2.256 14.698 1.00 0.00 H new ATOM 0 HE3 MET A 45 -9.358 -3.193 15.052 1.00 0.00 H new ATOM 726 N ALA A 46 -8.629 -0.135 13.750 1.00 0.00 N ATOM 727 CA ALA A 46 -8.256 -1.304 12.963 1.00 0.00 C ATOM 728 C ALA A 46 -6.979 -1.048 12.170 1.00 0.00 C ATOM 729 O ALA A 46 -6.102 -1.909 12.092 1.00 0.00 O ATOM 730 CB ALA A 46 -9.391 -1.693 12.027 1.00 0.00 C ATOM 0 H ALA A 46 -9.364 0.437 13.334 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.066 -2.129 13.650 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.099 -2.567 11.445 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.281 -1.927 12.612 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.607 -0.864 11.353 1.00 0.00 H new ATOM 736 N LEU A 47 -6.881 0.140 11.583 1.00 0.00 N ATOM 737 CA LEU A 47 -5.710 0.510 10.796 1.00 0.00 C ATOM 738 C LEU A 47 -4.427 0.293 11.592 1.00 0.00 C ATOM 739 O LEU A 47 -3.427 -0.185 11.058 1.00 0.00 O ATOM 740 CB LEU A 47 -5.808 1.971 10.353 1.00 0.00 C ATOM 741 CG LEU A 47 -5.375 2.268 8.917 1.00 0.00 C ATOM 742 CD1 LEU A 47 -5.652 3.722 8.566 1.00 0.00 C ATOM 743 CD2 LEU A 47 -3.901 1.943 8.727 1.00 0.00 C ATOM 0 H LEU A 47 -7.598 0.863 11.637 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.681 -0.129 9.914 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.841 2.298 10.475 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.201 2.575 11.027 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.955 1.636 8.244 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.337 3.915 7.540 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.719 3.923 8.662 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.098 4.372 9.244 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.610 2.160 7.699 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.304 2.549 9.409 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.731 0.887 8.936 1.00 0.00 H new ATOM 755 N GLU A 48 -4.465 0.647 12.873 1.00 0.00 N ATOM 756 CA GLU A 48 -3.306 0.489 13.743 1.00 0.00 C ATOM 757 C GLU A 48 -3.176 -0.954 14.222 1.00 0.00 C ATOM 758 O GLU A 48 -2.080 -1.511 14.256 1.00 0.00 O ATOM 759 CB GLU A 48 -3.411 1.430 14.945 1.00 0.00 C ATOM 760 CG GLU A 48 -4.664 1.216 15.778 1.00 0.00 C ATOM 761 CD GLU A 48 -4.813 2.243 16.883 1.00 0.00 C ATOM 762 OE1 GLU A 48 -5.289 3.361 16.594 1.00 0.00 O ATOM 763 OE2 GLU A 48 -4.454 1.929 18.037 1.00 0.00 O ATOM 0 H GLU A 48 -5.285 1.045 13.331 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.416 0.743 13.168 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.535 1.294 15.580 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.392 2.461 14.591 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.539 1.257 15.129 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.639 0.218 16.216 1.00 0.00 H new ATOM 770 N GLU A 49 -4.305 -1.552 14.591 1.00 0.00 N ATOM 771 CA GLU A 49 -4.317 -2.929 15.069 1.00 0.00 C ATOM 772 C GLU A 49 -3.733 -3.874 14.023 1.00 0.00 C ATOM 773 O GLU A 49 -3.059 -4.849 14.356 1.00 0.00 O ATOM 774 CB GLU A 49 -5.744 -3.358 15.419 1.00 0.00 C ATOM 775 CG GLU A 49 -5.812 -4.641 16.231 1.00 0.00 C ATOM 776 CD GLU A 49 -6.422 -4.432 17.603 1.00 0.00 C ATOM 777 OE1 GLU A 49 -5.686 -4.019 18.523 1.00 0.00 O ATOM 778 OE2 GLU A 49 -7.636 -4.680 17.756 1.00 0.00 O ATOM 0 H GLU A 49 -5.221 -1.105 14.568 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.699 -2.980 15.965 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.228 -2.558 15.979 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.311 -3.491 14.498 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.398 -5.381 15.686 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.808 -5.049 16.343 1.00 0.00 H new ATOM 785 N LYS A 50 -3.996 -3.578 12.754 1.00 0.00 N ATOM 786 CA LYS A 50 -3.497 -4.398 11.657 1.00 0.00 C ATOM 787 C LYS A 50 -2.041 -4.065 11.347 1.00 0.00 C ATOM 788 O LYS A 50 -1.251 -4.945 11.007 1.00 0.00 O ATOM 789 CB LYS A 50 -4.356 -4.192 10.407 1.00 0.00 C ATOM 790 CG LYS A 50 -4.199 -2.817 9.782 1.00 0.00 C ATOM 791 CD LYS A 50 -5.060 -2.669 8.538 1.00 0.00 C ATOM 792 CE LYS A 50 -6.522 -2.447 8.895 1.00 0.00 C ATOM 793 NZ LYS A 50 -7.262 -3.732 9.030 1.00 0.00 N ATOM 0 H LYS A 50 -4.553 -2.775 12.460 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.555 -5.443 11.962 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.095 -4.950 9.668 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.403 -4.347 10.666 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.473 -2.052 10.509 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.153 -2.651 9.524 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.699 -1.831 7.942 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.967 -3.563 7.921 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.587 -1.891 9.830 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.994 -1.835 8.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.175 -3.660 8.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.702 -4.501 8.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.427 -3.934 10.037 1.00 0.00 H new ATOM 807 N PHE A 51 -1.693 -2.788 11.467 1.00 0.00 N ATOM 808 CA PHE A 51 -0.331 -2.339 11.200 1.00 0.00 C ATOM 809 C PHE A 51 0.619 -2.799 12.301 1.00 0.00 C ATOM 810 O PHE A 51 1.838 -2.734 12.151 1.00 0.00 O ATOM 811 CB PHE A 51 -0.290 -0.814 11.080 1.00 0.00 C ATOM 812 CG PHE A 51 -0.178 -0.327 9.664 1.00 0.00 C ATOM 813 CD1 PHE A 51 0.766 -0.866 8.804 1.00 0.00 C ATOM 814 CD2 PHE A 51 -1.016 0.670 9.192 1.00 0.00 C ATOM 815 CE1 PHE A 51 0.871 -0.421 7.500 1.00 0.00 C ATOM 816 CE2 PHE A 51 -0.915 1.119 7.888 1.00 0.00 C ATOM 817 CZ PHE A 51 0.030 0.574 7.042 1.00 0.00 C ATOM 0 H PHE A 51 -2.335 -2.046 11.747 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.007 -2.781 10.258 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.192 -0.398 11.529 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.555 -0.435 11.654 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.427 -1.643 9.157 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.756 1.101 9.850 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.610 -0.851 6.840 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.575 1.896 7.532 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.111 0.925 6.024 1.00 0.00 H new ATOM 827 N ASN A 52 0.051 -3.266 13.409 1.00 0.00 N ATOM 828 CA ASN A 52 0.847 -3.737 14.536 1.00 0.00 C ATOM 829 C ASN A 52 1.568 -2.576 15.216 1.00 0.00 C ATOM 830 O ASN A 52 2.713 -2.710 15.648 1.00 0.00 O ATOM 831 CB ASN A 52 1.864 -4.780 14.069 1.00 0.00 C ATOM 832 CG ASN A 52 2.388 -5.629 15.211 1.00 0.00 C ATOM 833 OD1 ASN A 52 1.615 -6.211 15.972 1.00 0.00 O ATOM 834 ND2 ASN A 52 3.708 -5.702 15.336 1.00 0.00 N ATOM 0 H ASN A 52 -0.957 -3.328 13.550 1.00 0.00 H new ATOM 0 HA ASN A 52 0.172 -4.196 15.259 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.401 -5.426 13.323 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.699 -4.277 13.582 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.119 -6.257 16.086 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.311 -5.203 14.682 1.00 0.00 H new ATOM 841 N VAL A 53 0.890 -1.437 15.306 1.00 0.00 N ATOM 842 CA VAL A 53 1.464 -0.253 15.935 1.00 0.00 C ATOM 843 C VAL A 53 0.710 0.113 17.208 1.00 0.00 C ATOM 844 O VAL A 53 -0.374 -0.407 17.474 1.00 0.00 O ATOM 845 CB VAL A 53 1.449 0.953 14.977 1.00 0.00 C ATOM 846 CG1 VAL A 53 2.699 0.964 14.112 1.00 0.00 C ATOM 847 CG2 VAL A 53 0.195 0.934 14.116 1.00 0.00 C ATOM 0 H VAL A 53 -0.058 -1.309 14.951 1.00 0.00 H new ATOM 0 HA VAL A 53 2.497 -0.496 16.186 1.00 0.00 H new ATOM 0 HB VAL A 53 1.440 1.867 15.572 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.670 1.823 13.442 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.581 1.030 14.749 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.743 0.047 13.524 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.201 1.793 13.445 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.170 0.016 13.529 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.686 0.979 14.756 1.00 0.00 H new ATOM 857 N THR A 54 1.292 1.013 17.995 1.00 0.00 N ATOM 858 CA THR A 54 0.677 1.449 19.242 1.00 0.00 C ATOM 859 C THR A 54 -0.011 2.800 19.073 1.00 0.00 C ATOM 860 O THR A 54 -1.238 2.889 19.096 1.00 0.00 O ATOM 861 CB THR A 54 1.715 1.553 20.375 1.00 0.00 C ATOM 862 OG1 THR A 54 2.387 0.299 20.540 1.00 0.00 O ATOM 863 CG2 THR A 54 1.050 1.953 21.684 1.00 0.00 C ATOM 0 H THR A 54 2.189 1.454 17.790 1.00 0.00 H new ATOM 0 HA THR A 54 -0.065 0.696 19.508 1.00 0.00 H new ATOM 0 HB THR A 54 2.440 2.321 20.104 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.047 0.374 21.261 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.803 2.020 22.469 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.564 2.921 21.564 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.306 1.205 21.958 1.00 0.00 H new ATOM 871 N ILE A 55 0.788 3.848 18.903 1.00 0.00 N ATOM 872 CA ILE A 55 0.256 5.193 18.729 1.00 0.00 C ATOM 873 C ILE A 55 -0.551 5.628 19.947 1.00 0.00 C ATOM 874 O ILE A 55 -0.933 4.803 20.778 1.00 0.00 O ATOM 875 CB ILE A 55 -0.635 5.288 17.476 1.00 0.00 C ATOM 876 CG1 ILE A 55 -0.073 4.410 16.356 1.00 0.00 C ATOM 877 CG2 ILE A 55 -0.751 6.733 17.016 1.00 0.00 C ATOM 878 CD1 ILE A 55 -0.846 3.126 16.149 1.00 0.00 C ATOM 0 H ILE A 55 1.806 3.791 18.882 1.00 0.00 H new ATOM 0 HA ILE A 55 1.112 5.857 18.608 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.632 4.927 17.729 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.072 4.978 15.426 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.965 4.167 16.582 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.384 6.783 16.130 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.192 7.334 17.811 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.240 7.119 16.777 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.391 2.554 15.340 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.825 2.537 17.066 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.879 3.361 15.892 1.00 0.00 H new ATOM 890 N SER A 56 -0.809 6.928 20.047 1.00 0.00 N ATOM 891 CA SER A 56 -1.570 7.473 21.165 1.00 0.00 C ATOM 892 C SER A 56 -2.785 8.249 20.669 1.00 0.00 C ATOM 893 O SER A 56 -3.222 8.078 19.530 1.00 0.00 O ATOM 894 CB SER A 56 -0.683 8.383 22.017 1.00 0.00 C ATOM 895 OG SER A 56 -1.036 8.301 23.387 1.00 0.00 O ATOM 0 H SER A 56 -0.502 7.624 19.367 1.00 0.00 H new ATOM 0 HA SER A 56 -1.918 6.640 21.776 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.362 8.100 21.890 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.778 9.413 21.675 1.00 0.00 H new ATOM 0 HG SER A 56 -0.454 8.890 23.911 1.00 0.00 H new ATOM 901 N ASP A 57 -3.327 9.103 21.530 1.00 0.00 N ATOM 902 CA ASP A 57 -4.492 9.907 21.180 1.00 0.00 C ATOM 903 C ASP A 57 -4.282 10.614 19.845 1.00 0.00 C ATOM 904 O ASP A 57 -5.242 10.934 19.145 1.00 0.00 O ATOM 905 CB ASP A 57 -4.776 10.935 22.277 1.00 0.00 C ATOM 906 CG ASP A 57 -5.933 10.526 23.168 1.00 0.00 C ATOM 907 OD1 ASP A 57 -5.862 9.432 23.766 1.00 0.00 O ATOM 908 OD2 ASP A 57 -6.909 11.299 23.266 1.00 0.00 O ATOM 0 H ASP A 57 -2.978 9.256 22.476 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.349 9.240 21.087 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.882 11.069 22.886 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.997 11.899 21.819 1.00 0.00 H new ATOM 913 N GLN A 58 -3.022 10.856 19.500 1.00 0.00 N ATOM 914 CA GLN A 58 -2.687 11.527 18.249 1.00 0.00 C ATOM 915 C GLN A 58 -3.280 10.783 17.057 1.00 0.00 C ATOM 916 O GLN A 58 -3.624 11.390 16.043 1.00 0.00 O ATOM 917 CB GLN A 58 -1.169 11.635 18.094 1.00 0.00 C ATOM 918 CG GLN A 58 -0.576 12.866 18.761 1.00 0.00 C ATOM 919 CD GLN A 58 0.788 12.601 19.367 1.00 0.00 C ATOM 920 OE1 GLN A 58 1.818 12.850 18.739 1.00 0.00 O ATOM 921 NE2 GLN A 58 0.802 12.094 20.594 1.00 0.00 N ATOM 0 H GLN A 58 -2.216 10.598 20.069 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.114 12.529 18.278 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.705 10.744 18.516 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.921 11.652 17.033 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.494 13.668 18.027 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.254 13.215 19.540 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.076 11.903 21.077 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.691 11.895 21.054 1.00 0.00 H new ATOM 930 N ASP A 59 -3.397 9.466 17.186 1.00 0.00 N ATOM 931 CA ASP A 59 -3.949 8.639 16.120 1.00 0.00 C ATOM 932 C ASP A 59 -5.356 9.097 15.750 1.00 0.00 C ATOM 933 O ASP A 59 -5.811 8.892 14.625 1.00 0.00 O ATOM 934 CB ASP A 59 -3.972 7.170 16.545 1.00 0.00 C ATOM 935 CG ASP A 59 -3.500 6.241 15.444 1.00 0.00 C ATOM 936 OD1 ASP A 59 -3.472 6.675 14.273 1.00 0.00 O ATOM 937 OD2 ASP A 59 -3.158 5.080 15.752 1.00 0.00 O ATOM 0 H ASP A 59 -3.117 8.948 18.019 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.310 8.745 15.243 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.339 7.039 17.423 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.985 6.896 16.838 1.00 0.00 H new ATOM 942 N ALA A 60 -6.042 9.716 16.706 1.00 0.00 N ATOM 943 CA ALA A 60 -7.397 10.204 16.480 1.00 0.00 C ATOM 944 C ALA A 60 -7.383 11.563 15.790 1.00 0.00 C ATOM 945 O ALA A 60 -8.435 12.146 15.522 1.00 0.00 O ATOM 946 CB ALA A 60 -8.154 10.286 17.797 1.00 0.00 C ATOM 0 H ALA A 60 -5.681 9.891 17.644 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.907 9.498 15.824 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.164 10.652 17.614 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.203 9.296 18.251 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.638 10.969 18.472 1.00 0.00 H new ATOM 952 N LEU A 61 -6.186 12.065 15.504 1.00 0.00 N ATOM 953 CA LEU A 61 -6.036 13.357 14.845 1.00 0.00 C ATOM 954 C LEU A 61 -4.763 13.395 14.005 1.00 0.00 C ATOM 955 O LEU A 61 -4.188 14.460 13.776 1.00 0.00 O ATOM 956 CB LEU A 61 -6.010 14.481 15.882 1.00 0.00 C ATOM 957 CG LEU A 61 -4.764 14.550 16.766 1.00 0.00 C ATOM 958 CD1 LEU A 61 -4.018 15.855 16.537 1.00 0.00 C ATOM 959 CD2 LEU A 61 -5.142 14.399 18.232 1.00 0.00 C ATOM 0 H LEU A 61 -5.306 11.596 15.718 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.890 13.501 14.184 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.114 15.432 15.360 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.883 14.374 16.526 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.103 13.726 16.495 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.135 15.886 17.175 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.714 15.922 15.492 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.670 16.694 16.780 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.243 14.450 18.847 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.823 15.201 18.517 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.631 13.437 18.384 1.00 0.00 H new ATOM 971 N LYS A 62 -4.329 12.226 13.546 1.00 0.00 N ATOM 972 CA LYS A 62 -3.126 12.125 12.728 1.00 0.00 C ATOM 973 C LYS A 62 -3.462 11.628 11.325 1.00 0.00 C ATOM 974 O LYS A 62 -2.661 11.764 10.400 1.00 0.00 O ATOM 975 CB LYS A 62 -2.115 11.182 13.385 1.00 0.00 C ATOM 976 CG LYS A 62 -0.934 11.901 14.014 1.00 0.00 C ATOM 977 CD LYS A 62 0.330 11.060 13.946 1.00 0.00 C ATOM 978 CE LYS A 62 0.165 9.743 14.688 1.00 0.00 C ATOM 979 NZ LYS A 62 1.475 9.180 15.117 1.00 0.00 N ATOM 0 H LYS A 62 -4.792 11.335 13.727 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.687 13.120 12.647 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.622 10.595 14.151 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.746 10.480 12.637 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.769 12.849 13.502 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.161 12.135 15.054 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.581 10.862 12.904 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.163 11.618 14.374 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.468 9.895 15.562 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.346 9.026 14.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.383 8.153 15.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.190 9.368 14.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.768 9.625 16.010 1.00 0.00 H new ATOM 993 N ILE A 63 -4.651 11.053 11.175 1.00 0.00 N ATOM 994 CA ILE A 63 -5.093 10.539 9.885 1.00 0.00 C ATOM 995 C ILE A 63 -6.087 11.489 9.226 1.00 0.00 C ATOM 996 O ILE A 63 -6.278 11.459 8.011 1.00 0.00 O ATOM 997 CB ILE A 63 -5.743 9.150 10.025 1.00 0.00 C ATOM 998 CG1 ILE A 63 -4.712 8.127 10.507 1.00 0.00 C ATOM 999 CG2 ILE A 63 -6.351 8.714 8.701 1.00 0.00 C ATOM 1000 CD1 ILE A 63 -4.494 8.147 12.003 1.00 0.00 C ATOM 0 H ILE A 63 -5.325 10.932 11.931 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.205 10.454 9.258 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.540 9.211 10.766 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.035 7.130 10.209 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.762 8.317 10.007 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.807 7.730 8.816 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.112 9.433 8.396 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.571 8.666 7.941 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.751 7.396 12.272 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.141 9.133 12.306 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.433 7.926 12.511 1.00 0.00 H new ATOM 1012 N ASN A 64 -6.717 12.333 10.037 1.00 0.00 N ATOM 1013 CA ASN A 64 -7.692 13.294 9.533 1.00 0.00 C ATOM 1014 C ASN A 64 -7.166 13.997 8.285 1.00 0.00 C ATOM 1015 O ASN A 64 -7.902 14.207 7.320 1.00 0.00 O ATOM 1016 CB ASN A 64 -8.026 14.326 10.611 1.00 0.00 C ATOM 1017 CG ASN A 64 -6.902 15.321 10.827 1.00 0.00 C ATOM 1018 OD1 ASN A 64 -5.719 14.814 11.155 1.00 0.00 O flip ATOM 1019 ND2 ASN A 64 -7.095 16.530 10.701 1.00 0.00 N flip ATOM 0 H ASN A 64 -6.570 12.371 11.046 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.599 12.750 9.268 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.932 14.862 10.329 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.238 13.812 11.549 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.021 16.875 10.448 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.329 17.187 10.850 1.00 0.00 H new ATOM 1026 N THR A 65 -5.887 14.359 8.310 1.00 0.00 N ATOM 1027 CA THR A 65 -5.263 15.039 7.182 1.00 0.00 C ATOM 1028 C THR A 65 -4.447 14.067 6.337 1.00 0.00 C ATOM 1029 O THR A 65 -3.529 13.416 6.835 1.00 0.00 O ATOM 1030 CB THR A 65 -4.348 16.185 7.654 1.00 0.00 C ATOM 1031 OG1 THR A 65 -3.077 15.663 8.057 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.981 16.942 8.811 1.00 0.00 C ATOM 0 H THR A 65 -5.263 14.192 9.100 1.00 0.00 H new ATOM 0 HA THR A 65 -6.069 15.453 6.577 1.00 0.00 H new ATOM 0 HB THR A 65 -4.209 16.875 6.822 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.377 16.322 7.866 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.316 17.746 9.127 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.934 17.363 8.492 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.147 16.260 9.645 1.00 0.00 H new ATOM 1040 N VAL A 66 -4.787 13.975 5.056 1.00 0.00 N ATOM 1041 CA VAL A 66 -4.085 13.083 4.141 1.00 0.00 C ATOM 1042 C VAL A 66 -2.574 13.199 4.312 1.00 0.00 C ATOM 1043 O VAL A 66 -1.842 12.229 4.121 1.00 0.00 O ATOM 1044 CB VAL A 66 -4.449 13.383 2.674 1.00 0.00 C ATOM 1045 CG1 VAL A 66 -3.609 12.536 1.731 1.00 0.00 C ATOM 1046 CG2 VAL A 66 -5.933 13.150 2.436 1.00 0.00 C ATOM 0 H VAL A 66 -5.544 14.507 4.628 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.399 12.068 4.385 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.232 14.432 2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.880 12.762 0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.553 12.758 1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.791 11.480 1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.173 13.367 1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.178 12.111 2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.513 13.805 3.086 1.00 0.00 H new ATOM 1056 N GLN A 67 -2.115 14.393 4.673 1.00 0.00 N ATOM 1057 CA GLN A 67 -0.691 14.636 4.870 1.00 0.00 C ATOM 1058 C GLN A 67 -0.183 13.918 6.116 1.00 0.00 C ATOM 1059 O GLN A 67 0.781 13.156 6.056 1.00 0.00 O ATOM 1060 CB GLN A 67 -0.419 16.137 4.985 1.00 0.00 C ATOM 1061 CG GLN A 67 1.025 16.469 5.325 1.00 0.00 C ATOM 1062 CD GLN A 67 1.996 16.014 4.254 1.00 0.00 C ATOM 1063 OE1 GLN A 67 2.344 16.776 3.351 1.00 0.00 O ATOM 1064 NE2 GLN A 67 2.440 14.766 4.348 1.00 0.00 N ATOM 0 H GLN A 67 -2.708 15.207 4.835 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.158 14.243 4.004 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.682 16.619 4.043 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.070 16.558 5.751 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.123 17.545 5.465 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.289 15.999 6.272 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.125 14.169 5.113 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.096 14.404 3.655 1.00 0.00 H new ATOM 1073 N ASP A 68 -0.839 14.167 7.244 1.00 0.00 N ATOM 1074 CA ASP A 68 -0.455 13.544 8.505 1.00 0.00 C ATOM 1075 C ASP A 68 -0.657 12.033 8.449 1.00 0.00 C ATOM 1076 O ASP A 68 0.065 11.275 9.095 1.00 0.00 O ATOM 1077 CB ASP A 68 -1.265 14.136 9.660 1.00 0.00 C ATOM 1078 CG ASP A 68 -0.964 15.605 9.884 1.00 0.00 C ATOM 1079 OD1 ASP A 68 -0.196 16.182 9.086 1.00 0.00 O ATOM 1080 OD2 ASP A 68 -1.497 16.178 10.857 1.00 0.00 O ATOM 0 H ASP A 68 -1.639 14.796 7.311 1.00 0.00 H new ATOM 0 HA ASP A 68 0.603 13.746 8.673 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.328 14.013 9.455 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.050 13.581 10.573 1.00 0.00 H new ATOM 1085 N ALA A 69 -1.646 11.602 7.671 1.00 0.00 N ATOM 1086 CA ALA A 69 -1.943 10.182 7.530 1.00 0.00 C ATOM 1087 C ALA A 69 -0.762 9.432 6.921 1.00 0.00 C ATOM 1088 O ALA A 69 -0.213 8.518 7.536 1.00 0.00 O ATOM 1089 CB ALA A 69 -3.189 9.986 6.680 1.00 0.00 C ATOM 0 H ALA A 69 -2.254 12.216 7.129 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.126 9.774 8.524 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.399 8.921 6.583 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.036 10.481 7.156 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.026 10.415 5.691 1.00 0.00 H new ATOM 1095 N ILE A 70 -0.378 9.825 5.711 1.00 0.00 N ATOM 1096 CA ILE A 70 0.737 9.189 5.021 1.00 0.00 C ATOM 1097 C ILE A 70 2.008 9.244 5.863 1.00 0.00 C ATOM 1098 O ILE A 70 2.848 8.347 5.796 1.00 0.00 O ATOM 1099 CB ILE A 70 1.009 9.854 3.659 1.00 0.00 C ATOM 1100 CG1 ILE A 70 1.230 11.358 3.836 1.00 0.00 C ATOM 1101 CG2 ILE A 70 -0.145 9.592 2.702 1.00 0.00 C ATOM 1102 CD1 ILE A 70 1.415 12.099 2.530 1.00 0.00 C ATOM 0 H ILE A 70 -0.822 10.580 5.189 1.00 0.00 H new ATOM 0 HA ILE A 70 0.456 8.149 4.859 1.00 0.00 H new ATOM 0 HB ILE A 70 1.914 9.420 3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.378 11.782 4.368 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.108 11.517 4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.062 10.068 1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.260 8.518 2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.064 10.002 3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.567 13.159 2.732 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.284 11.701 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.528 11.971 1.910 1.00 0.00 H new ATOM 1114 N ASP A 71 2.140 10.302 6.656 1.00 0.00 N ATOM 1115 CA ASP A 71 3.307 10.473 7.514 1.00 0.00 C ATOM 1116 C ASP A 71 3.182 9.625 8.776 1.00 0.00 C ATOM 1117 O ASP A 71 4.184 9.247 9.383 1.00 0.00 O ATOM 1118 CB ASP A 71 3.479 11.945 7.888 1.00 0.00 C ATOM 1119 CG ASP A 71 4.925 12.396 7.815 1.00 0.00 C ATOM 1120 OD1 ASP A 71 5.538 12.251 6.737 1.00 0.00 O ATOM 1121 OD2 ASP A 71 5.443 12.893 8.837 1.00 0.00 O ATOM 0 H ASP A 71 1.454 11.054 6.722 1.00 0.00 H new ATOM 0 HA ASP A 71 4.186 10.142 6.961 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.876 12.559 7.220 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.102 12.107 8.898 1.00 0.00 H new ATOM 1126 N TYR A 72 1.946 9.332 9.166 1.00 0.00 N ATOM 1127 CA TYR A 72 1.690 8.533 10.358 1.00 0.00 C ATOM 1128 C TYR A 72 1.977 7.057 10.096 1.00 0.00 C ATOM 1129 O TYR A 72 2.310 6.306 11.014 1.00 0.00 O ATOM 1130 CB TYR A 72 0.241 8.709 10.814 1.00 0.00 C ATOM 1131 CG TYR A 72 -0.481 7.402 11.056 1.00 0.00 C ATOM 1132 CD1 TYR A 72 -0.258 6.668 12.214 1.00 0.00 C ATOM 1133 CD2 TYR A 72 -1.384 6.902 10.127 1.00 0.00 C ATOM 1134 CE1 TYR A 72 -0.914 5.473 12.440 1.00 0.00 C ATOM 1135 CE2 TYR A 72 -2.046 5.709 10.345 1.00 0.00 C ATOM 1136 CZ TYR A 72 -1.808 4.998 11.503 1.00 0.00 C ATOM 1137 OH TYR A 72 -2.464 3.809 11.723 1.00 0.00 O ATOM 0 H TYR A 72 1.106 9.636 8.674 1.00 0.00 H new ATOM 0 HA TYR A 72 2.357 8.880 11.147 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.227 9.298 11.731 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.301 9.280 10.060 1.00 0.00 H new ATOM 0 HD1 TYR A 72 0.440 7.038 12.950 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.572 7.455 9.219 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.728 4.914 13.345 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.746 5.335 9.613 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.341 3.833 11.286 1.00 0.00 H new ATOM 1147 N ILE A 73 1.846 6.650 8.839 1.00 0.00 N ATOM 1148 CA ILE A 73 2.092 5.265 8.455 1.00 0.00 C ATOM 1149 C ILE A 73 3.537 5.068 8.009 1.00 0.00 C ATOM 1150 O ILE A 73 4.102 3.986 8.165 1.00 0.00 O ATOM 1151 CB ILE A 73 1.151 4.819 7.321 1.00 0.00 C ATOM 1152 CG1 ILE A 73 1.462 5.591 6.037 1.00 0.00 C ATOM 1153 CG2 ILE A 73 -0.301 5.021 7.727 1.00 0.00 C ATOM 1154 CD1 ILE A 73 0.609 5.174 4.859 1.00 0.00 C ATOM 0 H ILE A 73 1.571 7.259 8.068 1.00 0.00 H new ATOM 0 HA ILE A 73 1.899 4.654 9.337 1.00 0.00 H new ATOM 0 HB ILE A 73 1.311 3.757 7.133 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.319 6.656 6.220 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.512 5.449 5.783 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.954 4.701 6.915 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.515 4.431 8.618 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.476 6.076 7.939 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.884 5.763 3.984 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.769 4.116 4.650 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.442 5.342 5.093 1.00 0.00 H new ATOM 1166 N GLU A 74 4.129 6.121 7.455 1.00 0.00 N ATOM 1167 CA GLU A 74 5.509 6.063 6.987 1.00 0.00 C ATOM 1168 C GLU A 74 6.485 6.188 8.153 1.00 0.00 C ATOM 1169 O GLU A 74 7.604 5.678 8.099 1.00 0.00 O ATOM 1170 CB GLU A 74 5.772 7.172 5.966 1.00 0.00 C ATOM 1171 CG GLU A 74 5.152 6.906 4.605 1.00 0.00 C ATOM 1172 CD GLU A 74 6.192 6.721 3.517 1.00 0.00 C ATOM 1173 OE1 GLU A 74 6.905 5.696 3.544 1.00 0.00 O ATOM 1174 OE2 GLU A 74 6.292 7.602 2.637 1.00 0.00 O ATOM 0 H GLU A 74 3.675 7.024 7.319 1.00 0.00 H new ATOM 0 HA GLU A 74 5.663 5.095 6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.383 8.113 6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.848 7.297 5.847 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.528 6.014 4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.497 7.736 4.339 1.00 0.00 H new ATOM 1181 N LYS A 75 6.052 6.871 9.208 1.00 0.00 N ATOM 1182 CA LYS A 75 6.885 7.064 10.389 1.00 0.00 C ATOM 1183 C LYS A 75 6.725 5.901 11.364 1.00 0.00 C ATOM 1184 O LYS A 75 7.683 5.490 12.017 1.00 0.00 O ATOM 1185 CB LYS A 75 6.524 8.379 11.084 1.00 0.00 C ATOM 1186 CG LYS A 75 5.245 8.304 11.900 1.00 0.00 C ATOM 1187 CD LYS A 75 4.696 9.688 12.203 1.00 0.00 C ATOM 1188 CE LYS A 75 5.445 10.346 13.352 1.00 0.00 C ATOM 1189 NZ LYS A 75 6.738 10.935 12.906 1.00 0.00 N ATOM 0 H LYS A 75 5.129 7.300 9.269 1.00 0.00 H new ATOM 0 HA LYS A 75 7.925 7.104 10.066 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.345 8.672 11.738 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.420 9.161 10.332 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.498 7.726 11.355 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.438 7.776 12.834 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.771 10.313 11.313 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.637 9.614 12.452 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.823 11.126 13.792 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.632 9.609 14.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.885 11.849 13.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.516 10.289 13.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.717 11.079 11.876 1.00 0.00 H new ATOM 1203 N ASN A 76 5.508 5.375 11.455 1.00 0.00 N ATOM 1204 CA ASN A 76 5.223 4.258 12.349 1.00 0.00 C ATOM 1205 C ASN A 76 5.837 2.966 11.820 1.00 0.00 C ATOM 1206 O ASN A 76 6.825 2.470 12.359 1.00 0.00 O ATOM 1207 CB ASN A 76 3.712 4.086 12.518 1.00 0.00 C ATOM 1208 CG ASN A 76 3.136 5.025 13.560 1.00 0.00 C ATOM 1209 OD1 ASN A 76 3.868 5.763 14.220 1.00 0.00 O ATOM 1210 ND2 ASN A 76 1.817 5.002 13.713 1.00 0.00 N ATOM 0 H ASN A 76 4.704 5.704 10.921 1.00 0.00 H new ATOM 0 HA ASN A 76 5.668 4.479 13.319 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.220 4.263 11.562 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.496 3.056 12.802 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.372 5.612 14.399 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.249 4.374 13.144 1.00 0.00 H new ATOM 1217 N ASN A 77 5.245 2.427 10.759 1.00 0.00 N ATOM 1218 CA ASN A 77 5.734 1.193 10.156 1.00 0.00 C ATOM 1219 C ASN A 77 7.174 1.354 9.679 1.00 0.00 C ATOM 1220 O ASN A 77 7.916 0.377 9.569 1.00 0.00 O ATOM 1221 CB ASN A 77 4.840 0.784 8.983 1.00 0.00 C ATOM 1222 CG ASN A 77 3.822 -0.271 9.372 1.00 0.00 C ATOM 1223 OD1 ASN A 77 3.636 -1.260 8.663 1.00 0.00 O ATOM 1224 ND2 ASN A 77 3.158 -0.064 10.503 1.00 0.00 N ATOM 0 H ASN A 77 4.426 2.826 10.299 1.00 0.00 H new ATOM 0 HA ASN A 77 5.706 0.412 10.915 1.00 0.00 H new ATOM 0 HB2 ASN A 77 4.320 1.663 8.602 1.00 0.00 H new ATOM 0 HB3 ASN A 77 5.461 0.404 8.172 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.461 -0.739 10.816 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.345 0.770 11.059 1.00 0.00 H new