USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=12 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= -5.62! C(o=-12!,f=-11!) USER MOD Set 1.2: A 64 ASN : amide:sc= -5.95! C(o=-12!,f=-10!) USER MOD Single : A 3 SER OG : rot -34:sc= 0.371 USER MOD Single : A 4 THR OG1 : rot 170:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 58:sc= 0.0254 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.239 K(o=-0.24,f=-1.9!) USER MOD Single : A 17 SER OG : rot 180:sc= -1.83! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -2.42 K(o=-2.4,f=0.88) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.25) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -40:sc= 0.661 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00856) USER MOD Single : A 52 ASN : amide:sc= -0.0367 X(o=-0.037,f=-0.044) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= -0.0169 (180deg=-0.0169) USER MOD Single : A 65 THR OG1 : rot -4:sc= 0.559! USER MOD Single : A 67 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.66) USER MOD Single : A 72 TYR OH : rot 150:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0938 X(o=-0.094,f=-0.065) USER MOD Single : A 77 ASN : amide:sc= -4.16! C(o=-4.2!,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 -0.482 5.953 0.071 1.00 0.00 N ATOM 43 CA SER A 3 -0.055 4.824 0.889 1.00 0.00 C ATOM 44 C SER A 3 -1.098 4.501 1.955 1.00 0.00 C ATOM 45 O SER A 3 -1.772 3.473 1.890 1.00 0.00 O ATOM 46 CB SER A 3 1.291 5.126 1.551 1.00 0.00 C ATOM 47 OG SER A 3 1.327 6.450 2.053 1.00 0.00 O ATOM 0 HA SER A 3 0.055 3.957 0.238 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.466 4.421 2.363 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.095 4.986 0.828 1.00 0.00 H new ATOM 0 HG SER A 3 0.811 7.038 1.463 1.00 0.00 H new ATOM 53 N THR A 4 -1.224 5.387 2.938 1.00 0.00 N ATOM 54 CA THR A 4 -2.183 5.197 4.020 1.00 0.00 C ATOM 55 C THR A 4 -3.582 4.934 3.475 1.00 0.00 C ATOM 56 O THR A 4 -4.374 4.219 4.089 1.00 0.00 O ATOM 57 CB THR A 4 -2.229 6.423 4.951 1.00 0.00 C ATOM 58 OG1 THR A 4 -3.020 6.130 6.108 1.00 0.00 O ATOM 59 CG2 THR A 4 -2.808 7.630 4.227 1.00 0.00 C ATOM 0 H THR A 4 -0.674 6.243 3.007 1.00 0.00 H new ATOM 0 HA THR A 4 -1.849 4.330 4.590 1.00 0.00 H new ATOM 0 HB THR A 4 -1.210 6.657 5.258 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.915 6.848 6.767 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.831 8.484 4.904 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.187 7.868 3.363 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.821 7.403 3.895 1.00 0.00 H new ATOM 67 N PHE A 5 -3.880 5.514 2.317 1.00 0.00 N ATOM 68 CA PHE A 5 -5.184 5.342 1.689 1.00 0.00 C ATOM 69 C PHE A 5 -5.573 3.868 1.639 1.00 0.00 C ATOM 70 O PHE A 5 -6.750 3.521 1.744 1.00 0.00 O ATOM 71 CB PHE A 5 -5.175 5.927 0.275 1.00 0.00 C ATOM 72 CG PHE A 5 -6.512 5.871 -0.406 1.00 0.00 C ATOM 73 CD1 PHE A 5 -7.681 6.036 0.319 1.00 0.00 C ATOM 74 CD2 PHE A 5 -6.600 5.651 -1.771 1.00 0.00 C ATOM 75 CE1 PHE A 5 -8.914 5.984 -0.305 1.00 0.00 C ATOM 76 CE2 PHE A 5 -7.829 5.599 -2.401 1.00 0.00 C ATOM 77 CZ PHE A 5 -8.987 5.765 -1.667 1.00 0.00 C ATOM 0 H PHE A 5 -3.235 6.107 1.795 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.921 5.874 2.290 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.843 6.964 0.322 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.446 5.386 -0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.629 6.207 1.384 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.698 5.519 -2.350 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.818 6.114 0.271 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.884 5.429 -3.466 1.00 0.00 H new ATOM 0 HZ PHE A 5 -9.948 5.724 -2.157 1.00 0.00 H new ATOM 87 N ASP A 6 -4.577 3.005 1.476 1.00 0.00 N ATOM 88 CA ASP A 6 -4.813 1.567 1.412 1.00 0.00 C ATOM 89 C ASP A 6 -5.519 1.075 2.672 1.00 0.00 C ATOM 90 O ASP A 6 -6.690 0.697 2.633 1.00 0.00 O ATOM 91 CB ASP A 6 -3.492 0.819 1.227 1.00 0.00 C ATOM 92 CG ASP A 6 -3.668 -0.686 1.268 1.00 0.00 C ATOM 93 OD1 ASP A 6 -4.813 -1.154 1.099 1.00 0.00 O ATOM 94 OD2 ASP A 6 -2.661 -1.397 1.470 1.00 0.00 O ATOM 0 H ASP A 6 -3.598 3.276 1.386 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.457 1.368 0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.047 1.104 0.274 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.794 1.122 2.008 1.00 0.00 H new ATOM 99 N ASP A 7 -4.798 1.082 3.788 1.00 0.00 N ATOM 100 CA ASP A 7 -5.354 0.637 5.060 1.00 0.00 C ATOM 101 C ASP A 7 -6.558 1.488 5.455 1.00 0.00 C ATOM 102 O ASP A 7 -7.405 1.056 6.237 1.00 0.00 O ATOM 103 CB ASP A 7 -4.289 0.698 6.157 1.00 0.00 C ATOM 104 CG ASP A 7 -3.286 -0.434 6.053 1.00 0.00 C ATOM 105 OD1 ASP A 7 -2.926 -0.804 4.917 1.00 0.00 O ATOM 106 OD2 ASP A 7 -2.862 -0.949 7.109 1.00 0.00 O ATOM 0 H ASP A 7 -3.827 1.391 3.837 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.684 -0.395 4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.764 1.651 6.097 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.774 0.662 7.133 1.00 0.00 H new ATOM 111 N ILE A 8 -6.625 2.697 4.910 1.00 0.00 N ATOM 112 CA ILE A 8 -7.724 3.608 5.205 1.00 0.00 C ATOM 113 C ILE A 8 -8.991 3.199 4.461 1.00 0.00 C ATOM 114 O ILE A 8 -10.101 3.364 4.967 1.00 0.00 O ATOM 115 CB ILE A 8 -7.369 5.059 4.831 1.00 0.00 C ATOM 116 CG1 ILE A 8 -6.520 5.699 5.931 1.00 0.00 C ATOM 117 CG2 ILE A 8 -8.634 5.869 4.592 1.00 0.00 C ATOM 118 CD1 ILE A 8 -6.065 7.104 5.603 1.00 0.00 C ATOM 0 H ILE A 8 -5.931 3.069 4.261 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.901 3.551 6.279 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.788 5.049 3.909 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.095 5.719 6.857 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.645 5.075 6.112 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.366 6.892 4.329 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.204 5.422 3.778 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.239 5.874 5.498 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.468 7.495 6.427 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.463 7.089 4.694 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.935 7.742 5.451 1.00 0.00 H new ATOM 130 N LYS A 9 -8.817 2.662 3.258 1.00 0.00 N ATOM 131 CA LYS A 9 -9.946 2.226 2.445 1.00 0.00 C ATOM 132 C LYS A 9 -10.470 0.875 2.922 1.00 0.00 C ATOM 133 O LYS A 9 -11.638 0.543 2.716 1.00 0.00 O ATOM 134 CB LYS A 9 -9.535 2.135 0.973 1.00 0.00 C ATOM 135 CG LYS A 9 -9.073 0.749 0.555 1.00 0.00 C ATOM 136 CD LYS A 9 -8.151 0.809 -0.651 1.00 0.00 C ATOM 137 CE LYS A 9 -8.937 0.826 -1.953 1.00 0.00 C ATOM 138 NZ LYS A 9 -8.178 1.488 -3.050 1.00 0.00 N ATOM 0 H LYS A 9 -7.905 2.518 2.825 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.743 2.962 2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.379 2.431 0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.733 2.849 0.783 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.555 0.271 1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.940 0.131 0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.527 1.701 -0.590 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.480 -0.050 -0.641 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.179 -0.196 -2.244 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.882 1.347 -1.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.747 1.479 -3.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.968 2.471 -2.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.287 0.976 -3.214 1.00 0.00 H new ATOM 152 N LYS A 10 -9.601 0.100 3.561 1.00 0.00 N ATOM 153 CA LYS A 10 -9.976 -1.213 4.071 1.00 0.00 C ATOM 154 C LYS A 10 -10.705 -1.091 5.405 1.00 0.00 C ATOM 155 O LYS A 10 -11.555 -1.918 5.736 1.00 0.00 O ATOM 156 CB LYS A 10 -8.735 -2.094 4.233 1.00 0.00 C ATOM 157 CG LYS A 10 -8.073 -1.966 5.595 1.00 0.00 C ATOM 158 CD LYS A 10 -8.618 -2.989 6.577 1.00 0.00 C ATOM 159 CE LYS A 10 -7.870 -4.310 6.479 1.00 0.00 C ATOM 160 NZ LYS A 10 -8.752 -5.414 6.009 1.00 0.00 N ATOM 0 H LYS A 10 -8.631 0.359 3.738 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.650 -1.676 3.350 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.015 -3.135 4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.011 -1.834 3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.996 -2.098 5.491 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.235 -0.962 5.987 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.538 -2.599 7.592 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.677 -3.154 6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.029 -4.201 5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.456 -4.566 7.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.205 -6.297 5.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.541 -5.536 6.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.127 -5.182 5.067 1.00 0.00 H new ATOM 174 N ILE A 11 -10.366 -0.056 6.166 1.00 0.00 N ATOM 175 CA ILE A 11 -10.990 0.174 7.463 1.00 0.00 C ATOM 176 C ILE A 11 -12.359 0.829 7.306 1.00 0.00 C ATOM 177 O ILE A 11 -13.295 0.518 8.044 1.00 0.00 O ATOM 178 CB ILE A 11 -10.109 1.061 8.363 1.00 0.00 C ATOM 179 CG1 ILE A 11 -9.824 2.398 7.674 1.00 0.00 C ATOM 180 CG2 ILE A 11 -8.810 0.346 8.703 1.00 0.00 C ATOM 181 CD1 ILE A 11 -8.986 3.341 8.510 1.00 0.00 C ATOM 0 H ILE A 11 -9.663 0.636 5.907 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.108 -0.802 7.934 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.645 1.258 9.291 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.312 2.210 6.730 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.770 2.882 7.433 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.198 0.986 9.339 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.033 -0.583 9.229 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.267 0.122 7.785 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.823 4.268 7.960 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.505 3.559 9.443 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.025 2.876 8.730 1.00 0.00 H new ATOM 193 N ILE A 12 -12.468 1.735 6.341 1.00 0.00 N ATOM 194 CA ILE A 12 -13.722 2.431 6.085 1.00 0.00 C ATOM 195 C ILE A 12 -14.710 1.531 5.349 1.00 0.00 C ATOM 196 O ILE A 12 -15.921 1.635 5.541 1.00 0.00 O ATOM 197 CB ILE A 12 -13.498 3.711 5.259 1.00 0.00 C ATOM 198 CG1 ILE A 12 -12.970 3.360 3.867 1.00 0.00 C ATOM 199 CG2 ILE A 12 -12.534 4.643 5.978 1.00 0.00 C ATOM 200 CD1 ILE A 12 -12.706 4.570 2.998 1.00 0.00 C ATOM 0 H ILE A 12 -11.702 2.004 5.723 1.00 0.00 H new ATOM 0 HA ILE A 12 -14.135 2.703 7.056 1.00 0.00 H new ATOM 0 HB ILE A 12 -14.453 4.225 5.146 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.047 2.789 3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -13.691 2.713 3.366 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -12.386 5.543 5.382 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.947 4.915 6.949 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.578 4.139 6.119 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.334 4.246 2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -13.631 5.130 2.864 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.963 5.207 3.477 1.00 0.00 H new ATOM 212 N SER A 13 -14.183 0.648 4.507 1.00 0.00 N ATOM 213 CA SER A 13 -15.019 -0.269 3.741 1.00 0.00 C ATOM 214 C SER A 13 -15.567 -1.379 4.633 1.00 0.00 C ATOM 215 O SER A 13 -16.716 -1.797 4.489 1.00 0.00 O ATOM 216 CB SER A 13 -14.219 -0.876 2.586 1.00 0.00 C ATOM 217 OG SER A 13 -14.913 -1.966 2.003 1.00 0.00 O ATOM 0 H SER A 13 -13.182 0.548 4.338 1.00 0.00 H new ATOM 0 HA SER A 13 -15.859 0.296 3.336 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.031 -0.114 1.830 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.248 -1.211 2.949 1.00 0.00 H new ATOM 0 HG SER A 13 -15.792 -1.665 1.692 1.00 0.00 H new ATOM 223 N LYS A 14 -14.736 -1.853 5.555 1.00 0.00 N ATOM 224 CA LYS A 14 -15.135 -2.914 6.472 1.00 0.00 C ATOM 225 C LYS A 14 -15.969 -2.354 7.621 1.00 0.00 C ATOM 226 O LYS A 14 -16.759 -3.072 8.232 1.00 0.00 O ATOM 227 CB LYS A 14 -13.901 -3.629 7.026 1.00 0.00 C ATOM 228 CG LYS A 14 -14.220 -4.936 7.731 1.00 0.00 C ATOM 229 CD LYS A 14 -13.920 -4.855 9.218 1.00 0.00 C ATOM 230 CE LYS A 14 -14.928 -5.649 10.034 1.00 0.00 C ATOM 231 NZ LYS A 14 -14.460 -7.038 10.296 1.00 0.00 N ATOM 0 H LYS A 14 -13.781 -1.519 5.687 1.00 0.00 H new ATOM 0 HA LYS A 14 -15.743 -3.629 5.918 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.208 -3.827 6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.389 -2.965 7.723 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.272 -5.183 7.584 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.638 -5.743 7.285 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.916 -5.234 9.409 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.933 -3.813 9.537 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.108 -5.142 10.982 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.880 -5.681 9.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.175 -7.546 10.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.313 -7.531 9.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.565 -7.009 10.824 1.00 0.00 H new ATOM 245 N GLN A 15 -15.788 -1.069 7.906 1.00 0.00 N ATOM 246 CA GLN A 15 -16.525 -0.414 8.981 1.00 0.00 C ATOM 247 C GLN A 15 -17.860 0.123 8.476 1.00 0.00 C ATOM 248 O GLN A 15 -18.902 -0.093 9.096 1.00 0.00 O ATOM 249 CB GLN A 15 -15.695 0.725 9.576 1.00 0.00 C ATOM 250 CG GLN A 15 -16.381 1.438 10.731 1.00 0.00 C ATOM 251 CD GLN A 15 -16.880 0.479 11.794 1.00 0.00 C ATOM 252 OE1 GLN A 15 -16.328 -0.606 11.976 1.00 0.00 O ATOM 253 NE2 GLN A 15 -17.929 0.877 12.504 1.00 0.00 N ATOM 0 H GLN A 15 -15.138 -0.461 7.408 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.722 -1.154 9.757 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.741 0.327 9.921 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -15.473 1.450 8.793 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -15.684 2.144 11.182 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -17.220 2.019 10.348 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -18.355 1.785 12.319 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -18.309 0.275 13.234 1.00 0.00 H new ATOM 262 N LEU A 16 -17.822 0.825 7.349 1.00 0.00 N ATOM 263 CA LEU A 16 -19.030 1.394 6.761 1.00 0.00 C ATOM 264 C LEU A 16 -19.398 0.672 5.469 1.00 0.00 C ATOM 265 O LEU A 16 -20.306 -0.158 5.447 1.00 0.00 O ATOM 266 CB LEU A 16 -18.833 2.886 6.487 1.00 0.00 C ATOM 267 CG LEU A 16 -18.668 3.778 7.718 1.00 0.00 C ATOM 268 CD1 LEU A 16 -17.200 3.908 8.091 1.00 0.00 C ATOM 269 CD2 LEU A 16 -19.281 5.149 7.469 1.00 0.00 C ATOM 0 H LEU A 16 -16.968 1.014 6.824 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.846 1.266 7.472 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -17.953 3.006 5.855 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.688 3.246 5.914 1.00 0.00 H new ATOM 0 HG LEU A 16 -19.193 3.313 8.553 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -17.103 4.546 8.969 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.792 2.922 8.312 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.651 4.349 7.259 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -19.154 5.771 8.355 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -18.785 5.621 6.621 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.343 5.039 7.252 1.00 0.00 H new ATOM 281 N SER A 17 -18.686 0.994 4.394 1.00 0.00 N ATOM 282 CA SER A 17 -18.939 0.378 3.096 1.00 0.00 C ATOM 283 C SER A 17 -17.989 0.930 2.038 1.00 0.00 C ATOM 284 O SER A 17 -17.146 0.208 1.505 1.00 0.00 O ATOM 285 CB SER A 17 -20.389 0.614 2.670 1.00 0.00 C ATOM 286 OG SER A 17 -20.575 0.303 1.300 1.00 0.00 O ATOM 0 H SER A 17 -17.929 1.678 4.396 1.00 0.00 H new ATOM 0 HA SER A 17 -18.766 -0.694 3.190 1.00 0.00 H new ATOM 0 HB2 SER A 17 -21.054 0.002 3.279 1.00 0.00 H new ATOM 0 HB3 SER A 17 -20.659 1.654 2.850 1.00 0.00 H new ATOM 0 HG SER A 17 -21.510 0.461 1.053 1.00 0.00 H new ATOM 292 N VAL A 18 -18.132 2.217 1.738 1.00 0.00 N ATOM 293 CA VAL A 18 -17.287 2.869 0.744 1.00 0.00 C ATOM 294 C VAL A 18 -17.512 4.377 0.735 1.00 0.00 C ATOM 295 O VAL A 18 -18.628 4.846 0.515 1.00 0.00 O ATOM 296 CB VAL A 18 -17.551 2.313 -0.668 1.00 0.00 C ATOM 297 CG1 VAL A 18 -16.523 1.249 -1.024 1.00 0.00 C ATOM 298 CG2 VAL A 18 -18.963 1.756 -0.766 1.00 0.00 C ATOM 0 H VAL A 18 -18.825 2.829 2.169 1.00 0.00 H new ATOM 0 HA VAL A 18 -16.254 2.661 1.021 1.00 0.00 H new ATOM 0 HB VAL A 18 -17.457 3.129 -1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -16.726 0.868 -2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -15.524 1.685 -0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -16.582 0.431 -0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -19.132 1.368 -1.770 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -19.088 0.952 -0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -19.682 2.548 -0.558 1.00 0.00 H new ATOM 308 N GLU A 19 -16.444 5.131 0.975 1.00 0.00 N ATOM 309 CA GLU A 19 -16.526 6.587 0.994 1.00 0.00 C ATOM 310 C GLU A 19 -15.198 7.212 0.575 1.00 0.00 C ATOM 311 O GLU A 19 -14.761 8.208 1.151 1.00 0.00 O ATOM 312 CB GLU A 19 -16.916 7.079 2.389 1.00 0.00 C ATOM 313 CG GLU A 19 -15.870 6.788 3.452 1.00 0.00 C ATOM 314 CD GLU A 19 -16.309 5.709 4.423 1.00 0.00 C ATOM 315 OE1 GLU A 19 -16.445 4.544 3.994 1.00 0.00 O ATOM 316 OE2 GLU A 19 -16.516 6.030 5.612 1.00 0.00 O ATOM 0 H GLU A 19 -15.513 4.758 1.159 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.292 6.892 0.281 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.092 8.154 2.350 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.857 6.612 2.680 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -14.942 6.481 2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -15.655 7.703 4.004 1.00 0.00 H new ATOM 323 N GLU A 20 -14.563 6.619 -0.431 1.00 0.00 N ATOM 324 CA GLU A 20 -13.285 7.117 -0.926 1.00 0.00 C ATOM 325 C GLU A 20 -13.465 8.445 -1.656 1.00 0.00 C ATOM 326 O GLU A 20 -12.546 9.263 -1.715 1.00 0.00 O ATOM 327 CB GLU A 20 -12.640 6.092 -1.861 1.00 0.00 C ATOM 328 CG GLU A 20 -13.563 5.616 -2.971 1.00 0.00 C ATOM 329 CD GLU A 20 -12.920 5.705 -4.341 1.00 0.00 C ATOM 330 OE1 GLU A 20 -12.641 6.836 -4.792 1.00 0.00 O ATOM 331 OE2 GLU A 20 -12.697 4.645 -4.963 1.00 0.00 O ATOM 0 H GLU A 20 -14.912 5.794 -0.919 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.631 7.278 -0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.746 6.530 -2.306 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.316 5.232 -1.275 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.856 4.584 -2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.475 6.213 -2.962 1.00 0.00 H new ATOM 338 N ASP A 21 -14.654 8.652 -2.211 1.00 0.00 N ATOM 339 CA ASP A 21 -14.956 9.880 -2.937 1.00 0.00 C ATOM 340 C ASP A 21 -15.566 10.925 -2.008 1.00 0.00 C ATOM 341 O ASP A 21 -16.593 11.527 -2.322 1.00 0.00 O ATOM 342 CB ASP A 21 -15.910 9.591 -4.096 1.00 0.00 C ATOM 343 CG ASP A 21 -15.191 9.058 -5.320 1.00 0.00 C ATOM 344 OD1 ASP A 21 -14.097 9.572 -5.636 1.00 0.00 O ATOM 345 OD2 ASP A 21 -15.721 8.127 -5.961 1.00 0.00 O ATOM 0 H ASP A 21 -15.425 7.985 -2.172 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.022 10.276 -3.336 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -16.659 8.867 -3.774 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -16.443 10.504 -4.360 1.00 0.00 H new ATOM 350 N LYS A 22 -14.927 11.135 -0.862 1.00 0.00 N ATOM 351 CA LYS A 22 -15.406 12.107 0.114 1.00 0.00 C ATOM 352 C LYS A 22 -14.492 12.147 1.335 1.00 0.00 C ATOM 353 O LYS A 22 -14.290 13.203 1.936 1.00 0.00 O ATOM 354 CB LYS A 22 -16.835 11.767 0.544 1.00 0.00 C ATOM 355 CG LYS A 22 -17.085 10.277 0.699 1.00 0.00 C ATOM 356 CD LYS A 22 -18.486 9.998 1.219 1.00 0.00 C ATOM 357 CE LYS A 22 -19.549 10.542 0.276 1.00 0.00 C ATOM 358 NZ LYS A 22 -20.257 11.716 0.857 1.00 0.00 N ATOM 0 H LYS A 22 -14.076 10.645 -0.586 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.399 13.091 -0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.048 12.263 1.491 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.532 12.169 -0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.947 9.782 -0.262 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.351 9.853 1.384 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.622 8.924 1.342 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.606 10.449 2.204 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.085 10.828 -0.668 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -20.271 9.757 0.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.973 12.057 0.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -20.721 11.437 1.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.572 12.475 1.048 1.00 0.00 H new ATOM 372 N ILE A 23 -13.943 10.992 1.695 1.00 0.00 N ATOM 373 CA ILE A 23 -13.049 10.898 2.843 1.00 0.00 C ATOM 374 C ILE A 23 -11.717 11.585 2.560 1.00 0.00 C ATOM 375 O ILE A 23 -11.001 11.973 3.483 1.00 0.00 O ATOM 376 CB ILE A 23 -12.784 9.431 3.230 1.00 0.00 C ATOM 377 CG1 ILE A 23 -11.975 9.361 4.527 1.00 0.00 C ATOM 378 CG2 ILE A 23 -12.055 8.709 2.106 1.00 0.00 C ATOM 379 CD1 ILE A 23 -12.663 10.018 5.704 1.00 0.00 C ATOM 0 H ILE A 23 -14.101 10.109 1.209 1.00 0.00 H new ATOM 0 HA ILE A 23 -13.546 11.401 3.673 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.741 8.936 3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.779 8.316 4.768 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.008 9.838 4.369 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.875 7.674 2.395 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.665 8.733 1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.102 9.203 1.914 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.033 9.931 6.589 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.835 11.072 5.483 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.618 9.526 5.888 1.00 0.00 H new ATOM 391 N GLN A 24 -11.394 11.735 1.280 1.00 0.00 N ATOM 392 CA GLN A 24 -10.149 12.377 0.876 1.00 0.00 C ATOM 393 C GLN A 24 -10.391 13.829 0.476 1.00 0.00 C ATOM 394 O GLN A 24 -10.636 14.128 -0.692 1.00 0.00 O ATOM 395 CB GLN A 24 -9.510 11.615 -0.285 1.00 0.00 C ATOM 396 CG GLN A 24 -8.207 10.925 0.083 1.00 0.00 C ATOM 397 CD GLN A 24 -8.348 9.418 0.166 1.00 0.00 C ATOM 398 OE1 GLN A 24 -8.000 8.697 -0.770 1.00 0.00 O ATOM 399 NE2 GLN A 24 -8.860 8.932 1.291 1.00 0.00 N ATOM 0 H GLN A 24 -11.977 11.421 0.505 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.469 12.362 1.728 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.216 10.869 -0.651 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.325 12.308 -1.105 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.446 11.175 -0.657 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.856 11.307 1.042 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.135 9.566 2.042 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.978 7.925 1.404 1.00 0.00 H new ATOM 408 N MET A 25 -10.320 14.727 1.453 1.00 0.00 N ATOM 409 CA MET A 25 -10.530 16.148 1.202 1.00 0.00 C ATOM 410 C MET A 25 -9.298 16.958 1.595 1.00 0.00 C ATOM 411 O MET A 25 -9.279 18.180 1.459 1.00 0.00 O ATOM 412 CB MET A 25 -11.752 16.649 1.973 1.00 0.00 C ATOM 413 CG MET A 25 -13.013 16.730 1.128 1.00 0.00 C ATOM 414 SD MET A 25 -13.603 18.421 0.920 1.00 0.00 S ATOM 415 CE MET A 25 -15.372 18.153 0.828 1.00 0.00 C ATOM 0 H MET A 25 -10.119 14.496 2.426 1.00 0.00 H new ATOM 0 HA MET A 25 -10.704 16.281 0.134 1.00 0.00 H new ATOM 0 HB2 MET A 25 -11.934 15.987 2.820 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.534 17.636 2.381 1.00 0.00 H new ATOM 0 HG2 MET A 25 -12.817 16.295 0.148 1.00 0.00 H new ATOM 0 HG3 MET A 25 -13.796 16.131 1.593 1.00 0.00 H new ATOM 0 HE1 MET A 25 -15.879 19.109 0.699 1.00 0.00 H new ATOM 0 HE2 MET A 25 -15.598 17.505 -0.019 1.00 0.00 H new ATOM 0 HE3 MET A 25 -15.717 17.681 1.748 1.00 0.00 H new ATOM 425 N ASN A 26 -8.273 16.267 2.084 1.00 0.00 N ATOM 426 CA ASN A 26 -7.038 16.923 2.499 1.00 0.00 C ATOM 427 C ASN A 26 -7.290 17.867 3.671 1.00 0.00 C ATOM 428 O ASN A 26 -6.472 18.737 3.968 1.00 0.00 O ATOM 429 CB ASN A 26 -6.430 17.698 1.328 1.00 0.00 C ATOM 430 CG ASN A 26 -6.584 16.966 0.008 1.00 0.00 C ATOM 431 OD1 ASN A 26 -7.256 17.446 -0.905 1.00 0.00 O ATOM 432 ND2 ASN A 26 -5.961 15.799 -0.097 1.00 0.00 N ATOM 0 H ASN A 26 -8.273 15.254 2.202 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.337 16.153 2.820 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.907 18.676 1.256 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.372 17.873 1.522 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.028 15.261 -0.961 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.415 15.440 0.686 1.00 0.00 H new ATOM 439 N SER A 27 -8.428 17.687 4.334 1.00 0.00 N ATOM 440 CA SER A 27 -8.790 18.524 5.472 1.00 0.00 C ATOM 441 C SER A 27 -8.788 17.714 6.764 1.00 0.00 C ATOM 442 O SER A 27 -7.850 17.792 7.557 1.00 0.00 O ATOM 443 CB SER A 27 -10.168 19.152 5.252 1.00 0.00 C ATOM 444 OG SER A 27 -10.114 20.169 4.267 1.00 0.00 O ATOM 0 H SER A 27 -9.115 16.969 4.103 1.00 0.00 H new ATOM 0 HA SER A 27 -8.047 19.317 5.560 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.877 18.383 4.946 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.535 19.569 6.190 1.00 0.00 H new ATOM 0 HG SER A 27 -11.007 20.553 4.144 1.00 0.00 H new ATOM 450 N ASN A 28 -9.845 16.936 6.970 1.00 0.00 N ATOM 451 CA ASN A 28 -9.966 16.111 8.167 1.00 0.00 C ATOM 452 C ASN A 28 -10.827 14.881 7.894 1.00 0.00 C ATOM 453 O ASN A 28 -11.441 14.762 6.834 1.00 0.00 O ATOM 454 CB ASN A 28 -10.569 16.925 9.313 1.00 0.00 C ATOM 455 CG ASN A 28 -9.985 18.322 9.400 1.00 0.00 C ATOM 456 OD1 ASN A 28 -9.044 18.567 10.154 1.00 0.00 O ATOM 457 ND2 ASN A 28 -10.544 19.246 8.627 1.00 0.00 N ATOM 0 H ASN A 28 -10.630 16.859 6.324 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.968 15.778 8.452 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.648 16.993 9.178 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.398 16.403 10.255 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.195 20.204 8.643 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.323 18.998 8.017 1.00 0.00 H new ATOM 464 N PHE A 29 -10.866 13.968 8.860 1.00 0.00 N ATOM 465 CA PHE A 29 -11.651 12.747 8.725 1.00 0.00 C ATOM 466 C PHE A 29 -12.961 12.853 9.499 1.00 0.00 C ATOM 467 O PHE A 29 -13.961 12.229 9.141 1.00 0.00 O ATOM 468 CB PHE A 29 -10.848 11.542 9.221 1.00 0.00 C ATOM 469 CG PHE A 29 -10.200 10.757 8.117 1.00 0.00 C ATOM 470 CD1 PHE A 29 -9.311 11.365 7.246 1.00 0.00 C ATOM 471 CD2 PHE A 29 -10.482 9.410 7.950 1.00 0.00 C ATOM 472 CE1 PHE A 29 -8.713 10.645 6.229 1.00 0.00 C ATOM 473 CE2 PHE A 29 -9.887 8.685 6.935 1.00 0.00 C ATOM 474 CZ PHE A 29 -9.002 9.303 6.072 1.00 0.00 C ATOM 0 H PHE A 29 -10.363 14.051 9.744 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.884 12.610 7.669 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.078 11.888 9.910 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.508 10.883 9.785 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.082 12.414 7.363 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.174 8.922 8.620 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.020 11.131 5.558 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.114 7.636 6.816 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.538 8.739 5.277 1.00 0.00 H new ATOM 484 N THR A 30 -12.949 13.649 10.564 1.00 0.00 N ATOM 485 CA THR A 30 -14.134 13.837 11.391 1.00 0.00 C ATOM 486 C THR A 30 -14.539 15.305 11.446 1.00 0.00 C ATOM 487 O THR A 30 -15.431 15.686 12.205 1.00 0.00 O ATOM 488 CB THR A 30 -13.905 13.325 12.826 1.00 0.00 C ATOM 489 OG1 THR A 30 -15.144 13.308 13.544 1.00 0.00 O ATOM 490 CG2 THR A 30 -12.900 14.201 13.559 1.00 0.00 C ATOM 0 H THR A 30 -12.131 14.174 10.874 1.00 0.00 H new ATOM 0 HA THR A 30 -14.935 13.259 10.931 1.00 0.00 H new ATOM 0 HB THR A 30 -13.506 12.312 12.768 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.665 14.107 13.317 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.754 13.820 14.570 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.949 14.188 13.026 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.275 15.223 13.607 1.00 0.00 H new ATOM 498 N LYS A 31 -13.879 16.127 10.637 1.00 0.00 N ATOM 499 CA LYS A 31 -14.172 17.554 10.591 1.00 0.00 C ATOM 500 C LYS A 31 -14.595 17.978 9.188 1.00 0.00 C ATOM 501 O LYS A 31 -15.426 18.871 9.023 1.00 0.00 O ATOM 502 CB LYS A 31 -12.948 18.361 11.031 1.00 0.00 C ATOM 503 CG LYS A 31 -12.084 17.644 12.054 1.00 0.00 C ATOM 504 CD LYS A 31 -10.872 18.476 12.442 1.00 0.00 C ATOM 505 CE LYS A 31 -11.036 19.089 13.824 1.00 0.00 C ATOM 506 NZ LYS A 31 -9.735 19.191 14.543 1.00 0.00 N ATOM 0 H LYS A 31 -13.137 15.829 10.004 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.997 17.752 11.276 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.342 18.594 10.155 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.281 19.311 11.450 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.676 17.426 12.943 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.755 16.688 11.647 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.979 17.851 12.424 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.722 19.267 11.707 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.479 20.081 13.731 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.728 18.484 14.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.889 19.614 15.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.324 18.242 14.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.082 19.789 13.997 1.00 0.00 H new ATOM 520 N ASP A 32 -14.019 17.331 8.181 1.00 0.00 N ATOM 521 CA ASP A 32 -14.338 17.640 6.791 1.00 0.00 C ATOM 522 C ASP A 32 -15.605 16.912 6.351 1.00 0.00 C ATOM 523 O ASP A 32 -16.358 17.407 5.511 1.00 0.00 O ATOM 524 CB ASP A 32 -13.171 17.256 5.880 1.00 0.00 C ATOM 525 CG ASP A 32 -13.443 17.581 4.424 1.00 0.00 C ATOM 526 OD1 ASP A 32 -14.181 16.812 3.773 1.00 0.00 O ATOM 527 OD2 ASP A 32 -12.917 18.602 3.935 1.00 0.00 O ATOM 0 H ASP A 32 -13.329 16.589 8.301 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.511 18.713 6.713 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.272 17.780 6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.971 16.189 5.980 1.00 0.00 H new ATOM 532 N LEU A 33 -15.833 15.734 6.921 1.00 0.00 N ATOM 533 CA LEU A 33 -17.008 14.937 6.587 1.00 0.00 C ATOM 534 C LEU A 33 -17.866 14.688 7.823 1.00 0.00 C ATOM 535 O LEU A 33 -19.091 14.612 7.736 1.00 0.00 O ATOM 536 CB LEU A 33 -16.585 13.604 5.968 1.00 0.00 C ATOM 537 CG LEU A 33 -15.300 12.985 6.520 1.00 0.00 C ATOM 538 CD1 LEU A 33 -15.501 11.505 6.808 1.00 0.00 C ATOM 539 CD2 LEU A 33 -14.148 13.190 5.547 1.00 0.00 C ATOM 0 H LEU A 33 -15.220 15.310 7.617 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.601 15.495 5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -17.397 12.889 6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -16.463 13.747 4.894 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.051 13.485 7.456 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.576 11.082 7.200 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.296 11.382 7.543 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -15.775 10.989 5.888 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.242 12.743 5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.388 12.717 4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -13.988 14.257 5.392 1.00 0.00 H new ATOM 551 N GLY A 34 -17.214 14.562 8.975 1.00 0.00 N ATOM 552 CA GLY A 34 -17.934 14.325 10.213 1.00 0.00 C ATOM 553 C GLY A 34 -18.903 13.164 10.106 1.00 0.00 C ATOM 554 O GLY A 34 -20.060 13.274 10.510 1.00 0.00 O ATOM 0 H GLY A 34 -16.200 14.620 9.073 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.220 14.126 11.013 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.481 15.226 10.490 1.00 0.00 H new ATOM 558 N ALA A 35 -18.430 12.048 9.560 1.00 0.00 N ATOM 559 CA ALA A 35 -19.262 10.862 9.402 1.00 0.00 C ATOM 560 C ALA A 35 -19.938 10.487 10.717 1.00 0.00 C ATOM 561 O ALA A 35 -21.128 10.738 10.908 1.00 0.00 O ATOM 562 CB ALA A 35 -18.431 9.699 8.883 1.00 0.00 C ATOM 0 H ALA A 35 -17.474 11.941 9.220 1.00 0.00 H new ATOM 0 HA ALA A 35 -20.041 11.089 8.675 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -19.066 8.820 8.770 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -18.000 9.962 7.917 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -17.630 9.480 9.590 1.00 0.00 H new ATOM 568 N ASP A 36 -19.171 9.884 11.619 1.00 0.00 N ATOM 569 CA ASP A 36 -19.696 9.474 12.916 1.00 0.00 C ATOM 570 C ASP A 36 -18.588 8.901 13.794 1.00 0.00 C ATOM 571 O ASP A 36 -17.916 7.926 13.461 1.00 0.00 O ATOM 572 CB ASP A 36 -20.807 8.438 12.737 1.00 0.00 C ATOM 573 CG ASP A 36 -22.140 8.920 13.276 1.00 0.00 C ATOM 574 OD1 ASP A 36 -22.784 9.753 12.606 1.00 0.00 O ATOM 575 OD2 ASP A 36 -22.538 8.464 14.369 1.00 0.00 O ATOM 0 H ASP A 36 -18.184 9.669 11.476 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.107 10.355 13.408 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -20.911 8.200 11.678 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.525 7.516 13.245 1.00 0.00 H new ATOM 580 N SER A 37 -18.377 9.525 14.967 1.00 0.00 N ATOM 581 CA SER A 37 -17.358 9.163 15.978 1.00 0.00 C ATOM 582 C SER A 37 -17.201 7.643 16.145 1.00 0.00 C ATOM 583 O SER A 37 -16.096 7.117 16.283 1.00 0.00 O ATOM 584 CB SER A 37 -17.772 9.841 17.294 1.00 0.00 C ATOM 585 OG SER A 37 -18.993 9.294 17.794 1.00 0.00 O ATOM 0 H SER A 37 -18.934 10.330 15.252 1.00 0.00 H new ATOM 0 HA SER A 37 -16.377 9.511 15.655 1.00 0.00 H new ATOM 0 HB2 SER A 37 -16.983 9.714 18.035 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.889 10.913 17.133 1.00 0.00 H new ATOM 0 HG SER A 37 -19.233 9.741 18.632 1.00 0.00 H new ATOM 590 N LEU A 38 -18.334 6.949 16.130 1.00 0.00 N ATOM 591 CA LEU A 38 -18.346 5.498 16.279 1.00 0.00 C ATOM 592 C LEU A 38 -17.571 4.829 15.148 1.00 0.00 C ATOM 593 O LEU A 38 -16.681 4.013 15.390 1.00 0.00 O ATOM 594 CB LEU A 38 -19.784 4.979 16.304 1.00 0.00 C ATOM 595 CG LEU A 38 -20.747 5.715 17.237 1.00 0.00 C ATOM 596 CD1 LEU A 38 -21.547 6.754 16.467 1.00 0.00 C ATOM 597 CD2 LEU A 38 -21.677 4.729 17.929 1.00 0.00 C ATOM 0 H LEU A 38 -19.257 7.368 16.016 1.00 0.00 H new ATOM 0 HA LEU A 38 -17.862 5.250 17.224 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -20.184 5.026 15.291 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.765 3.927 16.590 1.00 0.00 H new ATOM 0 HG LEU A 38 -20.162 6.229 18.000 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -22.227 7.267 17.147 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.867 7.478 16.019 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -22.122 6.262 15.682 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -22.355 5.270 18.589 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -22.255 4.187 17.180 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -21.088 4.023 18.514 1.00 0.00 H new ATOM 609 N ASP A 39 -17.914 5.181 13.914 1.00 0.00 N ATOM 610 CA ASP A 39 -17.248 4.617 12.746 1.00 0.00 C ATOM 611 C ASP A 39 -15.824 5.149 12.622 1.00 0.00 C ATOM 612 O ASP A 39 -14.880 4.385 12.414 1.00 0.00 O ATOM 613 CB ASP A 39 -18.039 4.940 11.477 1.00 0.00 C ATOM 614 CG ASP A 39 -19.445 4.376 11.511 1.00 0.00 C ATOM 615 OD1 ASP A 39 -19.586 3.142 11.645 1.00 0.00 O ATOM 616 OD2 ASP A 39 -20.406 5.168 11.404 1.00 0.00 O ATOM 0 H ASP A 39 -18.649 5.854 13.697 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.202 3.535 12.871 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -18.088 6.021 11.348 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.511 4.539 10.612 1.00 0.00 H new ATOM 621 N LEU A 40 -15.675 6.463 12.750 1.00 0.00 N ATOM 622 CA LEU A 40 -14.366 7.098 12.651 1.00 0.00 C ATOM 623 C LEU A 40 -13.374 6.454 13.614 1.00 0.00 C ATOM 624 O LEU A 40 -12.295 6.018 13.212 1.00 0.00 O ATOM 625 CB LEU A 40 -14.480 8.595 12.945 1.00 0.00 C ATOM 626 CG LEU A 40 -13.990 9.535 11.842 1.00 0.00 C ATOM 627 CD1 LEU A 40 -12.489 9.389 11.646 1.00 0.00 C ATOM 628 CD2 LEU A 40 -14.729 9.261 10.541 1.00 0.00 C ATOM 0 H LEU A 40 -16.445 7.109 12.923 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.999 6.960 11.634 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -15.525 8.825 13.154 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.919 8.810 13.854 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.198 10.561 12.145 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.158 10.065 10.858 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.975 9.635 12.575 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.257 8.362 11.364 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -14.368 9.939 9.768 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -14.552 8.231 10.232 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.797 9.417 10.690 1.00 0.00 H new ATOM 640 N VAL A 41 -13.748 6.394 14.889 1.00 0.00 N ATOM 641 CA VAL A 41 -12.893 5.800 15.909 1.00 0.00 C ATOM 642 C VAL A 41 -12.733 4.300 15.686 1.00 0.00 C ATOM 643 O VAL A 41 -11.730 3.708 16.083 1.00 0.00 O ATOM 644 CB VAL A 41 -13.455 6.040 17.323 1.00 0.00 C ATOM 645 CG1 VAL A 41 -12.593 5.346 18.366 1.00 0.00 C ATOM 646 CG2 VAL A 41 -13.557 7.531 17.609 1.00 0.00 C ATOM 0 H VAL A 41 -14.638 6.750 15.239 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.920 6.283 15.826 1.00 0.00 H new ATOM 0 HB VAL A 41 -14.457 5.614 17.374 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -13.006 5.527 19.358 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -12.577 4.274 18.170 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.577 5.739 18.318 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.956 7.683 18.612 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -12.568 7.983 17.540 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -14.221 7.997 16.880 1.00 0.00 H new ATOM 656 N GLU A 42 -13.728 3.693 15.048 1.00 0.00 N ATOM 657 CA GLU A 42 -13.697 2.261 14.773 1.00 0.00 C ATOM 658 C GLU A 42 -12.692 1.941 13.669 1.00 0.00 C ATOM 659 O GLU A 42 -11.672 1.295 13.911 1.00 0.00 O ATOM 660 CB GLU A 42 -15.088 1.766 14.371 1.00 0.00 C ATOM 661 CG GLU A 42 -15.901 1.225 15.535 1.00 0.00 C ATOM 662 CD GLU A 42 -15.717 -0.267 15.732 1.00 0.00 C ATOM 663 OE1 GLU A 42 -16.072 -1.034 14.813 1.00 0.00 O ATOM 664 OE2 GLU A 42 -15.218 -0.667 16.805 1.00 0.00 O ATOM 0 H GLU A 42 -14.565 4.170 14.712 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.386 1.749 15.683 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -15.636 2.586 13.906 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.983 0.985 13.618 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.613 1.746 16.448 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -16.957 1.438 15.366 1.00 0.00 H new ATOM 671 N LEU A 43 -12.989 2.396 12.457 1.00 0.00 N ATOM 672 CA LEU A 43 -12.114 2.159 11.315 1.00 0.00 C ATOM 673 C LEU A 43 -10.664 2.482 11.663 1.00 0.00 C ATOM 674 O LEU A 43 -9.747 1.752 11.286 1.00 0.00 O ATOM 675 CB LEU A 43 -12.563 3.001 10.119 1.00 0.00 C ATOM 676 CG LEU A 43 -12.560 4.516 10.326 1.00 0.00 C ATOM 677 CD1 LEU A 43 -11.292 5.131 9.755 1.00 0.00 C ATOM 678 CD2 LEU A 43 -13.793 5.143 9.691 1.00 0.00 C ATOM 0 H LEU A 43 -13.830 2.931 12.240 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.179 1.103 11.053 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.916 2.769 9.273 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.572 2.694 9.842 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.585 4.717 11.397 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.308 6.210 9.912 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.423 4.704 10.256 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.234 4.920 8.687 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.775 6.221 9.848 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.799 4.932 8.622 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.690 4.725 10.148 1.00 0.00 H new ATOM 690 N ILE A 44 -10.466 3.579 12.387 1.00 0.00 N ATOM 691 CA ILE A 44 -9.128 3.996 12.789 1.00 0.00 C ATOM 692 C ILE A 44 -8.465 2.942 13.669 1.00 0.00 C ATOM 693 O ILE A 44 -7.338 2.520 13.407 1.00 0.00 O ATOM 694 CB ILE A 44 -9.161 5.336 13.549 1.00 0.00 C ATOM 695 CG1 ILE A 44 -9.525 6.477 12.597 1.00 0.00 C ATOM 696 CG2 ILE A 44 -7.819 5.600 14.214 1.00 0.00 C ATOM 697 CD1 ILE A 44 -9.909 7.756 13.307 1.00 0.00 C ATOM 0 H ILE A 44 -11.214 4.194 12.707 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.548 4.120 11.875 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.924 5.279 14.326 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.678 6.676 11.940 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.353 6.160 11.963 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.858 6.550 14.747 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.598 4.798 14.918 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.038 5.642 13.454 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.154 8.521 12.571 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.775 7.573 13.943 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.074 8.097 13.920 1.00 0.00 H new ATOM 709 N MET A 45 -9.171 2.520 14.712 1.00 0.00 N ATOM 710 CA MET A 45 -8.652 1.512 15.629 1.00 0.00 C ATOM 711 C MET A 45 -8.160 0.285 14.867 1.00 0.00 C ATOM 712 O MET A 45 -7.228 -0.393 15.299 1.00 0.00 O ATOM 713 CB MET A 45 -9.729 1.103 16.635 1.00 0.00 C ATOM 714 CG MET A 45 -10.402 -0.219 16.302 1.00 0.00 C ATOM 715 SD MET A 45 -11.892 -0.504 17.276 1.00 0.00 S ATOM 716 CE MET A 45 -11.297 -1.708 18.461 1.00 0.00 C ATOM 0 H MET A 45 -10.104 2.860 14.944 1.00 0.00 H new ATOM 0 HA MET A 45 -7.809 1.946 16.167 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.281 1.034 17.626 1.00 0.00 H new ATOM 0 HB3 MET A 45 -10.487 1.885 16.682 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.657 -0.236 15.242 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.699 -1.034 16.474 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.107 -1.985 19.136 1.00 0.00 H new ATOM 0 HE2 MET A 45 -10.945 -2.595 17.933 1.00 0.00 H new ATOM 0 HE3 MET A 45 -10.477 -1.278 19.036 1.00 0.00 H new ATOM 726 N ALA A 46 -8.792 0.006 13.732 1.00 0.00 N ATOM 727 CA ALA A 46 -8.417 -1.137 12.909 1.00 0.00 C ATOM 728 C ALA A 46 -7.155 -0.845 12.106 1.00 0.00 C ATOM 729 O ALA A 46 -6.301 -1.716 11.932 1.00 0.00 O ATOM 730 CB ALA A 46 -9.561 -1.516 11.980 1.00 0.00 C ATOM 0 H ALA A 46 -9.567 0.556 13.361 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.208 -1.977 13.571 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.267 -2.371 11.371 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.439 -1.776 12.571 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.797 -0.673 11.331 1.00 0.00 H new ATOM 736 N LEU A 47 -7.042 0.385 11.616 1.00 0.00 N ATOM 737 CA LEU A 47 -5.883 0.792 10.829 1.00 0.00 C ATOM 738 C LEU A 47 -4.590 0.551 11.600 1.00 0.00 C ATOM 739 O LEU A 47 -3.643 -0.033 11.074 1.00 0.00 O ATOM 740 CB LEU A 47 -5.995 2.269 10.447 1.00 0.00 C ATOM 741 CG LEU A 47 -5.399 2.660 9.094 1.00 0.00 C ATOM 742 CD1 LEU A 47 -5.517 4.159 8.872 1.00 0.00 C ATOM 743 CD2 LEU A 47 -3.945 2.218 9.005 1.00 0.00 C ATOM 0 H LEU A 47 -7.739 1.118 11.750 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.861 0.189 9.921 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.049 2.545 10.450 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.508 2.862 11.221 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.961 2.153 8.310 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.088 4.418 7.904 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.568 4.448 8.892 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.980 4.687 9.660 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.536 2.504 8.036 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.370 2.697 9.797 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.886 1.135 9.118 1.00 0.00 H new ATOM 755 N GLU A 48 -4.559 1.002 12.850 1.00 0.00 N ATOM 756 CA GLU A 48 -3.381 0.834 13.694 1.00 0.00 C ATOM 757 C GLU A 48 -3.231 -0.619 14.134 1.00 0.00 C ATOM 758 O GLU A 48 -2.130 -1.169 14.128 1.00 0.00 O ATOM 759 CB GLU A 48 -3.471 1.744 14.921 1.00 0.00 C ATOM 760 CG GLU A 48 -4.726 1.527 15.749 1.00 0.00 C ATOM 761 CD GLU A 48 -4.492 0.609 16.933 1.00 0.00 C ATOM 762 OE1 GLU A 48 -3.428 0.730 17.575 1.00 0.00 O ATOM 763 OE2 GLU A 48 -5.373 -0.229 17.217 1.00 0.00 O ATOM 0 H GLU A 48 -5.335 1.486 13.301 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.504 1.111 13.109 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.597 1.578 15.551 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.436 2.784 14.595 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.092 2.489 16.107 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.506 1.105 15.116 1.00 0.00 H new ATOM 770 N GLU A 49 -4.346 -1.234 14.517 1.00 0.00 N ATOM 771 CA GLU A 49 -4.338 -2.622 14.962 1.00 0.00 C ATOM 772 C GLU A 49 -3.761 -3.536 13.884 1.00 0.00 C ATOM 773 O GLU A 49 -3.119 -4.542 14.186 1.00 0.00 O ATOM 774 CB GLU A 49 -5.755 -3.074 15.323 1.00 0.00 C ATOM 775 CG GLU A 49 -5.819 -4.481 15.892 1.00 0.00 C ATOM 776 CD GLU A 49 -7.207 -4.851 16.378 1.00 0.00 C ATOM 777 OE1 GLU A 49 -8.056 -5.208 15.535 1.00 0.00 O ATOM 778 OE2 GLU A 49 -7.443 -4.785 17.603 1.00 0.00 O ATOM 0 H GLU A 49 -5.266 -0.793 14.528 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.706 -2.688 15.848 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.175 -2.378 16.049 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.382 -3.022 14.433 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.504 -5.192 15.129 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.114 -4.567 16.719 1.00 0.00 H new ATOM 785 N LYS A 50 -3.994 -3.178 12.626 1.00 0.00 N ATOM 786 CA LYS A 50 -3.498 -3.963 11.502 1.00 0.00 C ATOM 787 C LYS A 50 -2.014 -3.701 11.268 1.00 0.00 C ATOM 788 O LYS A 50 -1.233 -4.631 11.065 1.00 0.00 O ATOM 789 CB LYS A 50 -4.291 -3.635 10.235 1.00 0.00 C ATOM 790 CG LYS A 50 -3.750 -4.311 8.987 1.00 0.00 C ATOM 791 CD LYS A 50 -4.544 -3.920 7.752 1.00 0.00 C ATOM 792 CE LYS A 50 -4.321 -4.902 6.612 1.00 0.00 C ATOM 793 NZ LYS A 50 -2.899 -4.924 6.170 1.00 0.00 N ATOM 0 H LYS A 50 -4.524 -2.348 12.359 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.629 -5.018 11.742 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.329 -3.934 10.379 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.288 -2.556 10.084 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.704 -4.039 8.849 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.784 -5.393 9.115 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.605 -3.881 7.998 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.254 -2.919 7.433 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.618 -5.901 6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.959 -4.633 5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.794 -5.580 5.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.612 -3.969 5.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.296 -5.239 6.957 1.00 0.00 H new ATOM 807 N PHE A 51 -1.631 -2.429 11.300 1.00 0.00 N ATOM 808 CA PHE A 51 -0.239 -2.044 11.092 1.00 0.00 C ATOM 809 C PHE A 51 0.640 -2.545 12.234 1.00 0.00 C ATOM 810 O PHE A 51 1.865 -2.568 12.124 1.00 0.00 O ATOM 811 CB PHE A 51 -0.121 -0.524 10.971 1.00 0.00 C ATOM 812 CG PHE A 51 -0.117 -0.033 9.552 1.00 0.00 C ATOM 813 CD1 PHE A 51 0.733 -0.596 8.613 1.00 0.00 C ATOM 814 CD2 PHE A 51 -0.964 0.989 9.155 1.00 0.00 C ATOM 815 CE1 PHE A 51 0.739 -0.146 7.306 1.00 0.00 C ATOM 816 CE2 PHE A 51 -0.962 1.443 7.850 1.00 0.00 C ATOM 817 CZ PHE A 51 -0.110 0.874 6.924 1.00 0.00 C ATOM 0 H PHE A 51 -2.264 -1.647 11.468 1.00 0.00 H new ATOM 0 HA PHE A 51 0.104 -2.503 10.165 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.950 -0.060 11.505 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.796 -0.199 11.462 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.398 -1.395 8.906 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.634 1.436 9.874 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.407 -0.592 6.584 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.626 2.242 7.554 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.108 1.226 5.903 1.00 0.00 H new ATOM 827 N ASN A 52 0.004 -2.946 13.330 1.00 0.00 N ATOM 828 CA ASN A 52 0.728 -3.445 14.494 1.00 0.00 C ATOM 829 C ASN A 52 1.530 -2.329 15.156 1.00 0.00 C ATOM 830 O ASN A 52 2.696 -2.512 15.506 1.00 0.00 O ATOM 831 CB ASN A 52 1.661 -4.588 14.088 1.00 0.00 C ATOM 832 CG ASN A 52 2.056 -5.458 15.266 1.00 0.00 C ATOM 833 OD1 ASN A 52 1.216 -6.130 15.864 1.00 0.00 O ATOM 834 ND2 ASN A 52 3.340 -5.449 15.604 1.00 0.00 N ATOM 0 H ASN A 52 -1.010 -2.935 13.437 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.002 -3.818 15.213 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.170 -5.203 13.334 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.559 -4.175 13.628 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.665 -6.015 16.388 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.001 -4.876 15.080 1.00 0.00 H new ATOM 841 N VAL A 53 0.897 -1.172 15.324 1.00 0.00 N ATOM 842 CA VAL A 53 1.551 -0.027 15.946 1.00 0.00 C ATOM 843 C VAL A 53 0.828 0.394 17.220 1.00 0.00 C ATOM 844 O VAL A 53 -0.172 -0.211 17.609 1.00 0.00 O ATOM 845 CB VAL A 53 1.612 1.174 14.984 1.00 0.00 C ATOM 846 CG1 VAL A 53 2.970 1.243 14.301 1.00 0.00 C ATOM 847 CG2 VAL A 53 0.493 1.091 13.956 1.00 0.00 C ATOM 0 H VAL A 53 -0.067 -1.003 15.038 1.00 0.00 H new ATOM 0 HA VAL A 53 2.566 -0.338 16.194 1.00 0.00 H new ATOM 0 HB VAL A 53 1.476 2.088 15.563 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.994 2.098 13.625 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.751 1.353 15.054 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.139 0.327 13.734 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.551 1.948 13.285 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.595 0.171 13.380 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.470 1.095 14.466 1.00 0.00 H new ATOM 857 N THR A 54 1.340 1.435 17.869 1.00 0.00 N ATOM 858 CA THR A 54 0.744 1.937 19.100 1.00 0.00 C ATOM 859 C THR A 54 0.470 3.434 19.009 1.00 0.00 C ATOM 860 O THR A 54 1.320 4.253 19.361 1.00 0.00 O ATOM 861 CB THR A 54 1.652 1.667 20.315 1.00 0.00 C ATOM 862 OG1 THR A 54 1.079 2.244 21.493 1.00 0.00 O ATOM 863 CG2 THR A 54 3.043 2.238 20.088 1.00 0.00 C ATOM 0 H THR A 54 2.167 1.947 17.562 1.00 0.00 H new ATOM 0 HA THR A 54 -0.198 1.405 19.233 1.00 0.00 H new ATOM 0 HB THR A 54 1.737 0.588 20.445 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.662 2.066 22.261 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.666 2.035 20.959 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.488 1.774 19.208 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.974 3.315 19.934 1.00 0.00 H new ATOM 871 N ILE A 55 -0.721 3.785 18.535 1.00 0.00 N ATOM 872 CA ILE A 55 -1.106 5.184 18.399 1.00 0.00 C ATOM 873 C ILE A 55 -2.500 5.428 18.968 1.00 0.00 C ATOM 874 O ILE A 55 -3.353 4.540 18.950 1.00 0.00 O ATOM 875 CB ILE A 55 -1.078 5.636 16.927 1.00 0.00 C ATOM 876 CG1 ILE A 55 -0.100 4.775 16.125 1.00 0.00 C ATOM 877 CG2 ILE A 55 -0.700 7.106 16.831 1.00 0.00 C ATOM 878 CD1 ILE A 55 -0.724 3.516 15.563 1.00 0.00 C ATOM 0 H ILE A 55 -1.435 3.120 18.239 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.378 5.768 18.963 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.075 5.510 16.505 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.305 5.368 15.305 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.739 4.501 16.765 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.685 7.410 15.784 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.431 7.706 17.372 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.287 7.257 17.267 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.027 2.955 15.007 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.104 2.902 16.380 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.545 3.783 14.897 1.00 0.00 H new ATOM 890 N SER A 56 -2.725 6.638 19.470 1.00 0.00 N ATOM 891 CA SER A 56 -4.016 6.998 20.046 1.00 0.00 C ATOM 892 C SER A 56 -4.008 8.444 20.532 1.00 0.00 C ATOM 893 O SER A 56 -5.021 9.140 20.459 1.00 0.00 O ATOM 894 CB SER A 56 -4.361 6.061 21.204 1.00 0.00 C ATOM 895 OG SER A 56 -5.683 5.565 21.082 1.00 0.00 O ATOM 0 H SER A 56 -2.031 7.385 19.490 1.00 0.00 H new ATOM 0 HA SER A 56 -4.774 6.897 19.269 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.657 5.229 21.225 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.254 6.592 22.150 1.00 0.00 H new ATOM 0 HG SER A 56 -5.879 4.967 21.833 1.00 0.00 H new ATOM 901 N ASP A 57 -2.859 8.889 21.028 1.00 0.00 N ATOM 902 CA ASP A 57 -2.718 10.253 21.526 1.00 0.00 C ATOM 903 C ASP A 57 -2.796 11.260 20.382 1.00 0.00 C ATOM 904 O ASP A 57 -3.366 12.340 20.533 1.00 0.00 O ATOM 905 CB ASP A 57 -1.392 10.411 22.272 1.00 0.00 C ATOM 906 CG ASP A 57 -1.402 9.721 23.622 1.00 0.00 C ATOM 907 OD1 ASP A 57 -1.233 8.485 23.657 1.00 0.00 O ATOM 908 OD2 ASP A 57 -1.580 10.418 24.643 1.00 0.00 O ATOM 0 H ASP A 57 -2.012 8.325 21.096 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.539 10.449 22.215 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.585 10.002 21.664 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.180 11.471 22.411 1.00 0.00 H new ATOM 913 N GLN A 58 -2.218 10.897 19.241 1.00 0.00 N ATOM 914 CA GLN A 58 -2.221 11.771 18.074 1.00 0.00 C ATOM 915 C GLN A 58 -2.966 11.123 16.911 1.00 0.00 C ATOM 916 O GLN A 58 -3.305 11.787 15.931 1.00 0.00 O ATOM 917 CB GLN A 58 -0.787 12.101 17.654 1.00 0.00 C ATOM 918 CG GLN A 58 -0.186 13.271 18.416 1.00 0.00 C ATOM 919 CD GLN A 58 0.952 12.852 19.326 1.00 0.00 C ATOM 920 OE1 GLN A 58 2.102 12.755 18.897 1.00 0.00 O ATOM 921 NE2 GLN A 58 0.636 12.600 20.591 1.00 0.00 N ATOM 0 H GLN A 58 -1.743 10.006 19.100 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.735 12.693 18.344 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.162 11.221 17.803 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.772 12.326 16.588 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.176 14.014 17.706 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.964 13.751 19.010 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.330 12.693 20.904 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.360 12.313 21.250 1.00 0.00 H new ATOM 930 N ASP A 59 -3.219 9.824 17.027 1.00 0.00 N ATOM 931 CA ASP A 59 -3.925 9.086 15.987 1.00 0.00 C ATOM 932 C ASP A 59 -5.297 9.698 15.723 1.00 0.00 C ATOM 933 O ASP A 59 -5.879 9.505 14.656 1.00 0.00 O ATOM 934 CB ASP A 59 -4.076 7.617 16.386 1.00 0.00 C ATOM 935 CG ASP A 59 -5.254 6.950 15.703 1.00 0.00 C ATOM 936 OD1 ASP A 59 -5.172 6.710 14.480 1.00 0.00 O ATOM 937 OD2 ASP A 59 -6.256 6.667 16.391 1.00 0.00 O ATOM 0 H ASP A 59 -2.945 9.260 17.832 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.337 9.146 15.071 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.162 7.079 16.135 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.199 7.548 17.467 1.00 0.00 H new ATOM 942 N ALA A 60 -5.808 10.437 16.702 1.00 0.00 N ATOM 943 CA ALA A 60 -7.111 11.078 16.575 1.00 0.00 C ATOM 944 C ALA A 60 -7.011 12.372 15.774 1.00 0.00 C ATOM 945 O ALA A 60 -8.009 13.061 15.561 1.00 0.00 O ATOM 946 CB ALA A 60 -7.702 11.351 17.951 1.00 0.00 C ATOM 0 H ALA A 60 -5.339 10.607 17.592 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.771 10.398 16.036 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.675 11.830 17.841 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.819 10.411 18.490 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.035 12.008 18.509 1.00 0.00 H new ATOM 952 N LEU A 61 -5.800 12.697 15.334 1.00 0.00 N ATOM 953 CA LEU A 61 -5.569 13.910 14.557 1.00 0.00 C ATOM 954 C LEU A 61 -4.326 13.769 13.685 1.00 0.00 C ATOM 955 O LEU A 61 -3.676 14.759 13.346 1.00 0.00 O ATOM 956 CB LEU A 61 -5.419 15.115 15.488 1.00 0.00 C ATOM 957 CG LEU A 61 -4.399 14.968 16.617 1.00 0.00 C ATOM 958 CD1 LEU A 61 -3.386 16.102 16.572 1.00 0.00 C ATOM 959 CD2 LEU A 61 -5.100 14.930 17.967 1.00 0.00 C ATOM 0 H LEU A 61 -4.964 12.138 15.502 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.430 14.066 13.907 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.143 15.981 14.887 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.392 15.331 15.930 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.867 14.027 16.480 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.668 15.981 17.383 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.861 16.083 15.617 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.902 17.056 16.684 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.359 14.825 18.759 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.659 15.855 18.113 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.786 14.083 17.997 1.00 0.00 H new ATOM 971 N LYS A 62 -4.000 12.533 13.323 1.00 0.00 N ATOM 972 CA LYS A 62 -2.837 12.261 12.487 1.00 0.00 C ATOM 973 C LYS A 62 -3.259 11.695 11.135 1.00 0.00 C ATOM 974 O LYS A 62 -2.497 11.739 10.168 1.00 0.00 O ATOM 975 CB LYS A 62 -1.896 11.281 13.190 1.00 0.00 C ATOM 976 CG LYS A 62 -0.586 11.908 13.636 1.00 0.00 C ATOM 977 CD LYS A 62 0.522 10.874 13.738 1.00 0.00 C ATOM 978 CE LYS A 62 1.282 10.999 15.049 1.00 0.00 C ATOM 979 NZ LYS A 62 2.744 10.781 14.866 1.00 0.00 N ATOM 0 H LYS A 62 -4.526 11.703 13.596 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.313 13.202 12.320 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.404 10.863 14.059 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.681 10.451 12.517 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.295 12.686 12.930 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.724 12.391 14.603 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.096 9.874 13.657 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.212 10.995 12.903 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.113 11.988 15.474 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.894 10.274 15.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.226 10.875 15.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.908 9.827 14.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.120 11.488 14.203 1.00 0.00 H new ATOM 993 N ILE A 63 -4.477 11.167 11.073 1.00 0.00 N ATOM 994 CA ILE A 63 -5.000 10.596 9.839 1.00 0.00 C ATOM 995 C ILE A 63 -6.009 11.533 9.183 1.00 0.00 C ATOM 996 O ILE A 63 -6.270 11.440 7.985 1.00 0.00 O ATOM 997 CB ILE A 63 -5.670 9.232 10.089 1.00 0.00 C ATOM 998 CG1 ILE A 63 -4.638 8.213 10.576 1.00 0.00 C ATOM 999 CG2 ILE A 63 -6.354 8.738 8.823 1.00 0.00 C ATOM 1000 CD1 ILE A 63 -4.305 8.346 12.045 1.00 0.00 C ATOM 0 H ILE A 63 -5.120 11.123 11.864 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.150 10.457 9.171 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.427 9.353 10.864 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.014 7.208 10.387 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.724 8.326 9.993 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.823 7.773 9.016 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.114 9.456 8.516 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.615 8.630 8.029 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.567 7.592 12.321 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.898 9.339 12.237 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.209 8.203 12.637 1.00 0.00 H new ATOM 1012 N ASN A 64 -6.571 12.437 9.979 1.00 0.00 N ATOM 1013 CA ASN A 64 -7.551 13.394 9.476 1.00 0.00 C ATOM 1014 C ASN A 64 -7.060 14.048 8.188 1.00 0.00 C ATOM 1015 O ASN A 64 -7.838 14.285 7.263 1.00 0.00 O ATOM 1016 CB ASN A 64 -7.835 14.466 10.529 1.00 0.00 C ATOM 1017 CG ASN A 64 -6.706 15.470 10.652 1.00 0.00 C ATOM 1018 OD1 ASN A 64 -6.896 16.665 10.428 1.00 0.00 O ATOM 1019 ND2 ASN A 64 -5.522 14.987 11.010 1.00 0.00 N ATOM 0 H ASN A 64 -6.365 12.527 10.974 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.473 12.853 9.260 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.756 14.989 10.272 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.999 13.988 11.495 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.724 15.615 11.109 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.411 13.988 11.186 1.00 0.00 H new ATOM 1026 N THR A 65 -5.764 14.338 8.134 1.00 0.00 N ATOM 1027 CA THR A 65 -5.169 14.965 6.961 1.00 0.00 C ATOM 1028 C THR A 65 -4.404 13.948 6.122 1.00 0.00 C ATOM 1029 O THR A 65 -3.480 13.296 6.608 1.00 0.00 O ATOM 1030 CB THR A 65 -4.215 16.108 7.358 1.00 0.00 C ATOM 1031 OG1 THR A 65 -2.949 15.572 7.760 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.804 16.936 8.490 1.00 0.00 C ATOM 0 H THR A 65 -5.106 14.148 8.890 1.00 0.00 H new ATOM 0 HA THR A 65 -5.989 15.374 6.371 1.00 0.00 H new ATOM 0 HB THR A 65 -4.077 16.754 6.491 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.994 14.593 7.763 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.113 17.737 8.753 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.753 17.366 8.170 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.969 16.299 9.359 1.00 0.00 H new ATOM 1040 N VAL A 66 -4.794 13.818 4.857 1.00 0.00 N ATOM 1041 CA VAL A 66 -4.143 12.881 3.950 1.00 0.00 C ATOM 1042 C VAL A 66 -2.625 12.982 4.050 1.00 0.00 C ATOM 1043 O VAL A 66 -1.913 12.002 3.835 1.00 0.00 O ATOM 1044 CB VAL A 66 -4.568 13.127 2.490 1.00 0.00 C ATOM 1045 CG1 VAL A 66 -3.809 12.203 1.549 1.00 0.00 C ATOM 1046 CG2 VAL A 66 -6.070 12.943 2.334 1.00 0.00 C ATOM 0 H VAL A 66 -5.557 14.350 4.438 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.457 11.881 4.249 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.322 14.156 2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.123 12.392 0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.739 12.389 1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.021 11.166 1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.353 13.121 1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.343 11.926 2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.592 13.650 2.978 1.00 0.00 H new ATOM 1056 N GLN A 67 -2.138 14.174 4.379 1.00 0.00 N ATOM 1057 CA GLN A 67 -0.704 14.404 4.507 1.00 0.00 C ATOM 1058 C GLN A 67 -0.153 13.721 5.755 1.00 0.00 C ATOM 1059 O GLN A 67 0.754 12.893 5.672 1.00 0.00 O ATOM 1060 CB GLN A 67 -0.409 15.904 4.560 1.00 0.00 C ATOM 1061 CG GLN A 67 0.950 16.277 3.989 1.00 0.00 C ATOM 1062 CD GLN A 67 2.091 15.555 4.679 1.00 0.00 C ATOM 1063 OE1 GLN A 67 2.603 16.013 5.701 1.00 0.00 O ATOM 1064 NE2 GLN A 67 2.496 14.419 4.122 1.00 0.00 N ATOM 0 H GLN A 67 -2.715 14.995 4.562 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.213 13.975 3.633 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.184 16.438 4.010 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.464 16.240 5.595 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.969 16.044 2.924 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.096 17.353 4.083 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.043 14.076 3.275 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.260 13.889 4.542 1.00 0.00 H new ATOM 1073 N ASP A 68 -0.708 14.073 6.910 1.00 0.00 N ATOM 1074 CA ASP A 68 -0.272 13.494 8.175 1.00 0.00 C ATOM 1075 C ASP A 68 -0.542 11.993 8.207 1.00 0.00 C ATOM 1076 O ASP A 68 0.177 11.237 8.858 1.00 0.00 O ATOM 1077 CB ASP A 68 -0.983 14.177 9.344 1.00 0.00 C ATOM 1078 CG ASP A 68 -0.272 13.954 10.664 1.00 0.00 C ATOM 1079 OD1 ASP A 68 0.589 13.051 10.729 1.00 0.00 O ATOM 1080 OD2 ASP A 68 -0.576 14.681 11.633 1.00 0.00 O ATOM 0 H ASP A 68 -1.460 14.756 6.996 1.00 0.00 H new ATOM 0 HA ASP A 68 0.802 13.654 8.269 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.052 15.247 9.148 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.003 13.799 9.416 1.00 0.00 H new ATOM 1085 N ALA A 69 -1.584 11.569 7.499 1.00 0.00 N ATOM 1086 CA ALA A 69 -1.948 10.159 7.445 1.00 0.00 C ATOM 1087 C ALA A 69 -0.831 9.326 6.825 1.00 0.00 C ATOM 1088 O ALA A 69 -0.301 8.413 7.458 1.00 0.00 O ATOM 1089 CB ALA A 69 -3.241 9.977 6.663 1.00 0.00 C ATOM 0 H ALA A 69 -2.191 12.182 6.955 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.101 9.810 8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.501 8.919 6.631 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.042 10.533 7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.107 10.349 5.647 1.00 0.00 H new ATOM 1095 N ILE A 70 -0.479 9.648 5.585 1.00 0.00 N ATOM 1096 CA ILE A 70 0.576 8.929 4.880 1.00 0.00 C ATOM 1097 C ILE A 70 1.905 9.039 5.620 1.00 0.00 C ATOM 1098 O ILE A 70 2.755 8.154 5.525 1.00 0.00 O ATOM 1099 CB ILE A 70 0.755 9.458 3.445 1.00 0.00 C ATOM 1100 CG1 ILE A 70 1.063 10.956 3.464 1.00 0.00 C ATOM 1101 CG2 ILE A 70 -0.492 9.178 2.618 1.00 0.00 C ATOM 1102 CD1 ILE A 70 1.145 11.574 2.086 1.00 0.00 C ATOM 0 H ILE A 70 -0.908 10.401 5.048 1.00 0.00 H new ATOM 0 HA ILE A 70 0.272 7.883 4.838 1.00 0.00 H new ATOM 0 HB ILE A 70 1.597 8.940 2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.292 11.470 4.038 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.008 11.118 3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.350 9.558 1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.670 8.103 2.581 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.350 9.672 3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.366 12.637 2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.935 11.086 1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.193 11.444 1.572 1.00 0.00 H new ATOM 1114 N ASP A 71 2.076 10.131 6.358 1.00 0.00 N ATOM 1115 CA ASP A 71 3.300 10.356 7.117 1.00 0.00 C ATOM 1116 C ASP A 71 3.270 9.591 8.436 1.00 0.00 C ATOM 1117 O ASP A 71 4.315 9.288 9.014 1.00 0.00 O ATOM 1118 CB ASP A 71 3.493 11.850 7.384 1.00 0.00 C ATOM 1119 CG ASP A 71 4.775 12.143 8.137 1.00 0.00 C ATOM 1120 OD1 ASP A 71 5.830 12.280 7.482 1.00 0.00 O ATOM 1121 OD2 ASP A 71 4.725 12.236 9.381 1.00 0.00 O ATOM 0 H ASP A 71 1.382 10.874 6.446 1.00 0.00 H new ATOM 0 HA ASP A 71 4.138 9.990 6.524 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.501 12.387 6.436 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.645 12.226 7.956 1.00 0.00 H new ATOM 1126 N TYR A 72 2.067 9.282 8.908 1.00 0.00 N ATOM 1127 CA TYR A 72 1.901 8.555 10.161 1.00 0.00 C ATOM 1128 C TYR A 72 2.160 7.064 9.965 1.00 0.00 C ATOM 1129 O TYR A 72 2.640 6.382 10.870 1.00 0.00 O ATOM 1130 CB TYR A 72 0.493 8.771 10.717 1.00 0.00 C ATOM 1131 CG TYR A 72 -0.224 7.486 11.067 1.00 0.00 C ATOM 1132 CD1 TYR A 72 0.119 6.764 12.203 1.00 0.00 C ATOM 1133 CD2 TYR A 72 -1.244 6.995 10.261 1.00 0.00 C ATOM 1134 CE1 TYR A 72 -0.533 5.589 12.526 1.00 0.00 C ATOM 1135 CE2 TYR A 72 -1.902 5.822 10.577 1.00 0.00 C ATOM 1136 CZ TYR A 72 -1.542 5.123 11.710 1.00 0.00 C ATOM 1137 OH TYR A 72 -2.194 3.954 12.029 1.00 0.00 O ATOM 0 H TYR A 72 1.193 9.524 8.442 1.00 0.00 H new ATOM 0 HA TYR A 72 2.629 8.940 10.874 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.555 9.397 11.607 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.098 9.319 9.983 1.00 0.00 H new ATOM 0 HD1 TYR A 72 0.908 7.127 12.845 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.527 7.540 9.372 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.254 5.039 13.412 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.693 5.455 9.941 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.116 3.993 11.700 1.00 0.00 H new ATOM 1147 N ILE A 73 1.838 6.566 8.776 1.00 0.00 N ATOM 1148 CA ILE A 73 2.036 5.157 8.459 1.00 0.00 C ATOM 1149 C ILE A 73 3.444 4.906 7.929 1.00 0.00 C ATOM 1150 O ILE A 73 4.004 3.827 8.116 1.00 0.00 O ATOM 1151 CB ILE A 73 1.013 4.665 7.419 1.00 0.00 C ATOM 1152 CG1 ILE A 73 1.287 5.307 6.057 1.00 0.00 C ATOM 1153 CG2 ILE A 73 -0.403 4.974 7.881 1.00 0.00 C ATOM 1154 CD1 ILE A 73 2.087 4.427 5.124 1.00 0.00 C ATOM 0 H ILE A 73 1.439 7.117 8.016 1.00 0.00 H new ATOM 0 HA ILE A 73 1.895 4.602 9.386 1.00 0.00 H new ATOM 0 HB ILE A 73 1.113 3.584 7.317 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.337 5.555 5.584 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.823 6.244 6.207 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.115 4.620 7.135 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.593 4.473 8.830 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.517 6.050 8.009 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.243 4.946 4.178 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.052 4.200 5.577 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.543 3.500 4.943 1.00 0.00 H new ATOM 1166 N GLU A 74 4.010 5.912 7.269 1.00 0.00 N ATOM 1167 CA GLU A 74 5.354 5.799 6.713 1.00 0.00 C ATOM 1168 C GLU A 74 6.409 5.979 7.800 1.00 0.00 C ATOM 1169 O GLU A 74 7.488 5.390 7.738 1.00 0.00 O ATOM 1170 CB GLU A 74 5.561 6.838 5.609 1.00 0.00 C ATOM 1171 CG GLU A 74 4.890 6.472 4.295 1.00 0.00 C ATOM 1172 CD GLU A 74 5.887 6.239 3.176 1.00 0.00 C ATOM 1173 OE1 GLU A 74 6.770 7.100 2.981 1.00 0.00 O ATOM 1174 OE2 GLU A 74 5.783 5.198 2.496 1.00 0.00 O ATOM 0 H GLU A 74 3.560 6.813 7.106 1.00 0.00 H new ATOM 0 HA GLU A 74 5.462 4.801 6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.175 7.799 5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.630 6.966 5.438 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.291 5.573 4.436 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.205 7.270 4.006 1.00 0.00 H new ATOM 1181 N LYS A 75 6.090 6.798 8.797 1.00 0.00 N ATOM 1182 CA LYS A 75 7.008 7.057 9.899 1.00 0.00 C ATOM 1183 C LYS A 75 6.974 5.920 10.915 1.00 0.00 C ATOM 1184 O LYS A 75 8.002 5.548 11.479 1.00 0.00 O ATOM 1185 CB LYS A 75 6.654 8.379 10.585 1.00 0.00 C ATOM 1186 CG LYS A 75 5.432 8.289 11.483 1.00 0.00 C ATOM 1187 CD LYS A 75 4.919 9.667 11.865 1.00 0.00 C ATOM 1188 CE LYS A 75 5.798 10.316 12.923 1.00 0.00 C ATOM 1189 NZ LYS A 75 6.491 11.527 12.402 1.00 0.00 N ATOM 0 H LYS A 75 5.201 7.294 8.864 1.00 0.00 H new ATOM 0 HA LYS A 75 8.016 7.125 9.490 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.506 8.711 11.178 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.480 9.139 9.823 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.644 7.735 10.973 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.682 7.730 12.385 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.885 10.302 10.980 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.898 9.586 12.239 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.188 10.589 13.784 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.538 9.596 13.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.080 11.940 13.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.093 11.263 11.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.785 12.225 12.093 1.00 0.00 H new ATOM 1203 N ASN A 76 5.785 5.370 11.140 1.00 0.00 N ATOM 1204 CA ASN A 76 5.617 4.273 12.087 1.00 0.00 C ATOM 1205 C ASN A 76 5.931 2.933 11.429 1.00 0.00 C ATOM 1206 O ASN A 76 6.906 2.271 11.780 1.00 0.00 O ATOM 1207 CB ASN A 76 4.190 4.262 12.639 1.00 0.00 C ATOM 1208 CG ASN A 76 3.995 5.268 13.757 1.00 0.00 C ATOM 1209 OD1 ASN A 76 4.085 4.928 14.936 1.00 0.00 O ATOM 1210 ND2 ASN A 76 3.724 6.515 13.389 1.00 0.00 N ATOM 0 H ASN A 76 4.924 5.666 10.680 1.00 0.00 H new ATOM 0 HA ASN A 76 6.316 4.426 12.909 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.490 4.479 11.832 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.953 3.264 13.007 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.581 7.236 14.096 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.659 6.752 12.399 1.00 0.00 H new ATOM 1217 N ASN A 77 5.096 2.541 10.472 1.00 0.00 N ATOM 1218 CA ASN A 77 5.283 1.280 9.764 1.00 0.00 C ATOM 1219 C ASN A 77 5.939 1.511 8.406 1.00 0.00 C ATOM 1220 O ASN A 77 6.363 2.622 8.090 1.00 0.00 O ATOM 1221 CB ASN A 77 3.941 0.569 9.581 1.00 0.00 C ATOM 1222 CG ASN A 77 3.049 0.694 10.801 1.00 0.00 C ATOM 1223 OD1 ASN A 77 3.084 -0.148 11.699 1.00 0.00 O ATOM 1224 ND2 ASN A 77 2.243 1.749 10.839 1.00 0.00 N ATOM 0 H ASN A 77 4.284 3.078 10.169 1.00 0.00 H new ATOM 0 HA ASN A 77 5.941 0.650 10.363 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.427 0.986 8.715 1.00 0.00 H new ATOM 0 HB3 ASN A 77 4.118 -0.486 9.370 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.620 1.886 11.635 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.247 2.422 10.072 1.00 0.00 H new