USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 116:sc= 1.14 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.623 USER MOD Single : A 1 MET CE :methyl -155:sc= -0.172 (180deg=-0.737) USER MOD Single : A 1 MET N :NH3+ 175:sc= 0.766 (180deg=0.739) USER MOD Single : A 2 GLN : amide:sc= 0.288 X(o=0.29,f=-0.026) USER MOD Single : A 6 LYS NZ :NH3+ 156:sc= -0.0927 (180deg=-0.418) USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 1.3 (180deg=1.28) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 27:sc= 0.312 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= 0.026 F(o=-1.3,f=0.026) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 2.39 (180deg=2.39) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.233 K(o=-0.23,f=-0.9) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.417 K(o=-0.42,f=-4.1!) USER MOD Single : A 41 GLN : amide:sc= 0.266 K(o=0.27,f=-2.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00146 K(o=-0.0015,f=-1.8) USER MOD Single : A 55 THR OG1 : rot -65:sc= 1.13 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.668 USER MOD Single : A 60 ASN : amide:sc= -0.0309 X(o=-0.031,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0315 X(o=-0.031,f=-0.032) USER MOD Single : A 63 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.285) USER MOD Single : A 65 SER OG : rot 91:sc= 1.01 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0711 X(o=-0.071,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.785 3.638 -4.828 1.00 9.67 N ATOM 2 CA MET A 1 -12.336 4.186 -3.529 1.00 10.38 C ATOM 3 C MET A 1 -10.982 4.806 -3.576 1.00 9.62 C ATOM 4 O MET A 1 -9.989 4.185 -3.953 1.00 9.62 O ATOM 5 CB MET A 1 -12.209 2.924 -2.659 1.00 13.77 C ATOM 6 CG MET A 1 -11.523 3.000 -1.293 1.00 16.29 C ATOM 7 SD MET A 1 -10.285 1.707 -0.976 1.00 17.17 S ATOM 8 CE MET A 1 -11.467 0.341 -1.157 1.00 16.11 C ATOM 0 H1 MET A 1 -13.694 3.149 -4.703 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.900 4.414 -5.511 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.077 2.965 -5.185 1.00 9.67 H new ATOM 0 HA MET A 1 -13.023 4.960 -3.186 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.216 2.541 -2.495 1.00 13.77 H new ATOM 0 HB3 MET A 1 -11.676 2.177 -3.248 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.041 3.973 -1.200 1.00 16.29 H new ATOM 0 HG3 MET A 1 -12.287 2.947 -0.517 1.00 16.29 H new ATOM 0 HE1 MET A 1 -11.111 -0.525 -0.599 1.00 16.11 H new ATOM 0 HE2 MET A 1 -12.439 0.647 -0.770 1.00 16.11 H new ATOM 0 HE3 MET A 1 -11.562 0.079 -2.211 1.00 16.11 H new ATOM 20 N GLN A 2 -10.762 6.094 -3.257 1.00 9.27 N ATOM 21 CA GLN A 2 -9.456 6.651 -3.087 1.00 9.07 C ATOM 22 C GLN A 2 -8.850 6.329 -1.765 1.00 8.72 C ATOM 23 O GLN A 2 -9.497 6.224 -0.724 1.00 8.22 O ATOM 24 CB GLN A 2 -9.679 8.163 -3.263 1.00 14.46 C ATOM 25 CG GLN A 2 -8.457 9.047 -3.003 1.00 17.01 C ATOM 26 CD GLN A 2 -8.730 10.508 -3.329 1.00 20.10 C ATOM 27 OE1 GLN A 2 -9.157 10.859 -4.428 1.00 21.89 O ATOM 28 NE2 GLN A 2 -8.447 11.381 -2.326 1.00 19.49 N ATOM 0 H GLN A 2 -11.514 6.767 -3.113 1.00 9.27 H new ATOM 0 HA GLN A 2 -8.744 6.239 -3.802 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -10.027 8.345 -4.280 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -10.480 8.474 -2.592 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -8.161 8.958 -1.958 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -7.619 8.692 -3.603 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -8.095 11.035 -1.433 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -8.587 12.382 -2.466 1.00 19.49 H new ATOM 37 N ILE A 3 -7.560 5.950 -1.768 1.00 5.87 N ATOM 38 CA ILE A 3 -6.758 5.698 -0.611 1.00 5.07 C ATOM 39 C ILE A 3 -5.625 6.660 -0.718 1.00 4.01 C ATOM 40 O ILE A 3 -5.232 7.131 -1.784 1.00 4.61 O ATOM 41 CB ILE A 3 -6.222 4.316 -0.384 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.401 3.616 -1.480 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.428 3.464 0.045 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.614 2.405 -0.981 1.00 10.83 C ATOM 0 H ILE A 3 -7.044 5.811 -2.636 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.416 5.816 0.250 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.441 4.429 0.368 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.073 3.298 -2.277 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.707 4.334 -1.916 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.103 2.439 0.227 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.858 3.876 0.958 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.179 3.472 -0.745 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.060 1.964 -1.810 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.916 2.719 -0.205 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.303 1.667 -0.572 1.00 10.83 H new ATOM 56 N PHE A 4 -5.044 6.972 0.454 1.00 4.55 N ATOM 57 CA PHE A 4 -3.817 7.689 0.613 1.00 4.68 C ATOM 58 C PHE A 4 -2.668 6.858 1.069 1.00 5.30 C ATOM 59 O PHE A 4 -2.707 6.295 2.162 1.00 5.58 O ATOM 60 CB PHE A 4 -3.950 8.787 1.681 1.00 4.83 C ATOM 61 CG PHE A 4 -5.078 9.734 1.455 1.00 7.97 C ATOM 62 CD1 PHE A 4 -5.044 10.497 0.311 1.00 6.69 C ATOM 63 CD2 PHE A 4 -6.170 9.821 2.285 1.00 8.34 C ATOM 64 CE1 PHE A 4 -6.042 11.413 0.077 1.00 9.10 C ATOM 65 CE2 PHE A 4 -7.184 10.710 2.014 1.00 10.61 C ATOM 66 CZ PHE A 4 -7.170 11.462 0.863 1.00 8.90 C ATOM 0 H PHE A 4 -5.458 6.706 1.347 1.00 4.55 H new ATOM 0 HA PHE A 4 -3.622 8.077 -0.387 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -4.078 8.315 2.655 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -3.019 9.353 1.720 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -4.239 10.377 -0.399 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -6.232 9.186 3.157 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -5.938 12.109 -0.742 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -8.000 10.819 2.713 1.00 10.61 H new ATOM 0 HZ PHE A 4 -8.017 12.071 0.585 1.00 8.90 H new ATOM 76 N VAL A 5 -1.607 6.914 0.244 1.00 4.44 N ATOM 77 CA VAL A 5 -0.410 6.208 0.580 1.00 3.87 C ATOM 78 C VAL A 5 0.687 7.141 0.961 1.00 4.93 C ATOM 79 O VAL A 5 1.223 7.896 0.151 1.00 6.84 O ATOM 80 CB VAL A 5 -0.002 5.292 -0.536 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.341 4.591 -0.272 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.088 4.213 -0.681 1.00 9.13 C ATOM 0 H VAL A 5 -1.576 7.434 -0.633 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.617 5.592 1.455 1.00 3.87 H new ATOM 0 HB VAL A 5 0.113 5.893 -1.438 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.584 3.942 -1.113 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.125 5.339 -0.153 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.268 3.995 0.637 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.818 3.531 -1.487 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.174 3.656 0.252 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.043 4.686 -0.911 1.00 9.13 H new ATOM 92 N LYS A 6 1.141 7.101 2.226 1.00 6.04 N ATOM 93 CA LYS A 6 2.208 7.940 2.677 1.00 6.12 C ATOM 94 C LYS A 6 3.496 7.194 2.740 1.00 6.57 C ATOM 95 O LYS A 6 3.598 6.181 3.431 1.00 5.76 O ATOM 96 CB LYS A 6 1.853 8.430 4.091 1.00 7.45 C ATOM 97 CG LYS A 6 2.858 9.283 4.868 1.00 11.12 C ATOM 98 CD LYS A 6 2.244 9.836 6.155 1.00 14.54 C ATOM 99 CE LYS A 6 3.047 11.057 6.611 1.00 18.84 C ATOM 100 NZ LYS A 6 2.942 12.223 5.706 1.00 20.55 N ATOM 0 H LYS A 6 0.765 6.481 2.943 1.00 6.04 H new ATOM 0 HA LYS A 6 2.329 8.769 1.980 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.928 9.002 4.016 1.00 7.45 H new ATOM 0 HB3 LYS A 6 1.635 7.550 4.696 1.00 7.45 H new ATOM 0 HG2 LYS A 6 3.736 8.684 5.110 1.00 11.12 H new ATOM 0 HG3 LYS A 6 3.198 10.108 4.242 1.00 11.12 H new ATOM 0 HD2 LYS A 6 1.203 10.113 5.986 1.00 14.54 H new ATOM 0 HD3 LYS A 6 2.249 9.072 6.932 1.00 14.54 H new ATOM 0 HE2 LYS A 6 2.708 11.350 7.605 1.00 18.84 H new ATOM 0 HE3 LYS A 6 4.096 10.775 6.702 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 3.145 13.094 6.237 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 3.627 12.123 4.930 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.980 12.273 5.314 1.00 20.55 H new ATOM 114 N THR A 7 4.522 7.681 2.020 1.00 7.41 N ATOM 115 CA THR A 7 5.816 7.097 1.847 1.00 7.48 C ATOM 116 C THR A 7 6.737 7.311 2.999 1.00 8.75 C ATOM 117 O THR A 7 6.394 8.162 3.818 1.00 8.58 O ATOM 118 CB THR A 7 6.531 7.489 0.588 1.00 9.61 C ATOM 119 OG1 THR A 7 7.079 8.799 0.602 1.00 11.78 O ATOM 120 CG2 THR A 7 5.675 7.405 -0.687 1.00 9.17 C ATOM 0 H THR A 7 4.436 8.563 1.514 1.00 7.41 H new ATOM 0 HA THR A 7 5.569 6.038 1.776 1.00 7.48 H new ATOM 0 HB THR A 7 7.326 6.744 0.563 1.00 9.61 H new ATOM 0 HG1 THR A 7 8.056 8.745 0.548 1.00 11.78 H new ATOM 0 HG21 THR A 7 6.273 7.706 -1.547 1.00 9.17 H new ATOM 0 HG22 THR A 7 5.329 6.381 -0.826 1.00 9.17 H new ATOM 0 HG23 THR A 7 4.815 8.069 -0.592 1.00 9.17 H new ATOM 128 N LEU A 8 7.908 6.659 3.113 1.00 9.84 N ATOM 129 CA LEU A 8 8.756 6.898 4.240 1.00 14.15 C ATOM 130 C LEU A 8 9.594 8.129 4.261 1.00 17.37 C ATOM 131 O LEU A 8 10.113 8.587 5.278 1.00 17.01 O ATOM 132 CB LEU A 8 9.687 5.679 4.343 1.00 16.63 C ATOM 133 CG LEU A 8 10.433 5.406 5.660 1.00 18.88 C ATOM 134 CD1 LEU A 8 9.397 4.931 6.693 1.00 18.59 C ATOM 135 CD2 LEU A 8 11.564 4.393 5.415 1.00 19.31 C ATOM 0 H LEU A 8 8.263 5.980 2.440 1.00 9.84 H new ATOM 0 HA LEU A 8 8.075 7.056 5.076 1.00 14.15 H new ATOM 0 HB2 LEU A 8 9.093 4.794 4.114 1.00 16.63 H new ATOM 0 HB3 LEU A 8 10.436 5.772 3.557 1.00 16.63 H new ATOM 0 HG LEU A 8 10.914 6.303 6.051 1.00 18.88 H new ATOM 0 HD11 LEU A 8 9.895 4.728 7.641 1.00 18.59 H new ATOM 0 HD12 LEU A 8 8.645 5.707 6.837 1.00 18.59 H new ATOM 0 HD13 LEU A 8 8.916 4.021 6.334 1.00 18.59 H new ATOM 0 HD21 LEU A 8 12.090 4.202 6.350 1.00 19.31 H new ATOM 0 HD22 LEU A 8 11.142 3.461 5.039 1.00 19.31 H new ATOM 0 HD23 LEU A 8 12.262 4.797 4.682 1.00 19.31 H new ATOM 147 N THR A 9 9.721 8.716 3.057 1.00 18.33 N ATOM 148 CA THR A 9 10.237 10.031 2.835 1.00 19.24 C ATOM 149 C THR A 9 9.249 11.093 3.174 1.00 19.48 C ATOM 150 O THR A 9 9.538 12.037 3.907 1.00 23.14 O ATOM 151 CB THR A 9 10.721 10.166 1.422 1.00 18.97 C ATOM 152 OG1 THR A 9 9.800 9.639 0.479 1.00 20.24 O ATOM 153 CG2 THR A 9 11.974 9.300 1.208 1.00 19.70 C ATOM 0 H THR A 9 9.449 8.247 2.193 1.00 18.33 H new ATOM 0 HA THR A 9 11.082 10.172 3.509 1.00 19.24 H new ATOM 0 HB THR A 9 10.885 11.234 1.277 1.00 18.97 H new ATOM 0 HG1 THR A 9 10.158 9.751 -0.426 1.00 20.24 H new ATOM 0 HG21 THR A 9 12.317 9.405 0.179 1.00 19.70 H new ATOM 0 HG22 THR A 9 12.761 9.625 1.888 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.732 8.256 1.405 1.00 19.70 H new ATOM 161 N GLY A 10 8.014 10.990 2.650 1.00 19.43 N ATOM 162 CA GLY A 10 6.849 11.674 3.120 1.00 18.74 C ATOM 163 C GLY A 10 5.955 12.338 2.130 1.00 17.62 C ATOM 164 O GLY A 10 5.443 13.448 2.268 1.00 19.74 O ATOM 0 H GLY A 10 7.818 10.391 1.848 1.00 19.43 H new ATOM 0 HA2 GLY A 10 6.248 10.956 3.677 1.00 18.74 H new ATOM 0 HA3 GLY A 10 7.177 12.434 3.830 1.00 18.74 H new ATOM 168 N LYS A 11 5.797 11.607 1.012 1.00 13.56 N ATOM 169 CA LYS A 11 5.025 11.936 -0.146 1.00 11.91 C ATOM 170 C LYS A 11 3.692 11.270 -0.155 1.00 10.18 C ATOM 171 O LYS A 11 3.621 10.051 -0.007 1.00 9.10 O ATOM 172 CB LYS A 11 5.754 11.404 -1.391 1.00 13.43 C ATOM 173 CG LYS A 11 5.013 11.649 -2.707 1.00 16.69 C ATOM 174 CD LYS A 11 5.961 11.360 -3.873 1.00 17.92 C ATOM 175 CE LYS A 11 5.214 11.535 -5.197 1.00 20.81 C ATOM 176 NZ LYS A 11 6.047 11.041 -6.316 1.00 21.93 N ATOM 0 H LYS A 11 6.254 10.701 0.912 1.00 13.56 H new ATOM 0 HA LYS A 11 4.899 13.019 -0.140 1.00 11.91 H new ATOM 0 HB2 LYS A 11 6.737 11.871 -1.449 1.00 13.43 H new ATOM 0 HB3 LYS A 11 5.916 10.333 -1.273 1.00 13.43 H new ATOM 0 HG2 LYS A 11 4.134 11.008 -2.769 1.00 16.69 H new ATOM 0 HG3 LYS A 11 4.661 12.679 -2.755 1.00 16.69 H new ATOM 0 HD2 LYS A 11 6.817 12.034 -3.835 1.00 17.92 H new ATOM 0 HD3 LYS A 11 6.351 10.345 -3.795 1.00 17.92 H new ATOM 0 HE2 LYS A 11 4.270 10.990 -5.167 1.00 20.81 H new ATOM 0 HE3 LYS A 11 4.970 12.586 -5.351 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 5.547 11.194 -7.215 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 6.950 11.556 -6.330 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 6.230 10.025 -6.190 1.00 21.93 H new ATOM 190 N THR A 12 2.556 11.981 -0.277 1.00 9.63 N ATOM 191 CA THR A 12 1.230 11.448 -0.315 1.00 9.85 C ATOM 192 C THR A 12 0.891 10.987 -1.690 1.00 11.66 C ATOM 193 O THR A 12 0.538 11.806 -2.538 1.00 12.33 O ATOM 194 CB THR A 12 0.147 12.271 0.318 1.00 10.85 C ATOM 195 OG1 THR A 12 0.441 12.828 1.590 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.920 11.222 0.673 1.00 9.63 C ATOM 0 H THR A 12 2.567 12.998 -0.354 1.00 9.63 H new ATOM 0 HA THR A 12 1.261 10.587 0.353 1.00 9.85 H new ATOM 0 HB THR A 12 -0.082 13.087 -0.368 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.330 13.344 1.907 1.00 10.91 H new ATOM 0 HG21 THR A 12 -1.770 11.713 1.147 1.00 9.63 H new ATOM 0 HG22 THR A 12 -1.252 10.719 -0.235 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.495 10.489 1.359 1.00 9.63 H new ATOM 204 N ILE A 13 1.033 9.674 -1.946 1.00 10.42 N ATOM 205 CA ILE A 13 0.577 9.019 -3.133 1.00 11.84 C ATOM 206 C ILE A 13 -0.908 8.944 -3.032 1.00 10.55 C ATOM 207 O ILE A 13 -1.443 8.439 -2.046 1.00 11.92 O ATOM 208 CB ILE A 13 1.319 7.747 -3.416 1.00 14.86 C ATOM 209 CG1 ILE A 13 2.770 8.124 -3.761 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.663 6.967 -4.568 1.00 17.08 C ATOM 211 CD1 ILE A 13 3.787 7.000 -3.951 1.00 16.46 C ATOM 0 H ILE A 13 1.489 9.038 -1.292 1.00 10.42 H new ATOM 0 HA ILE A 13 0.810 9.581 -4.037 1.00 11.84 H new ATOM 0 HB ILE A 13 1.295 7.095 -2.543 1.00 14.86 H new ATOM 0 HG12 ILE A 13 2.751 8.713 -4.678 1.00 14.87 H new ATOM 0 HG13 ILE A 13 3.140 8.777 -2.971 1.00 14.87 H new ATOM 0 HG21 ILE A 13 1.222 6.049 -4.751 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.364 6.719 -4.301 1.00 17.08 H new ATOM 0 HG23 ILE A 13 0.665 7.579 -5.470 1.00 17.08 H new ATOM 0 HD11 ILE A 13 4.761 7.427 -4.189 1.00 16.46 H new ATOM 0 HD12 ILE A 13 3.861 6.417 -3.033 1.00 16.46 H new ATOM 0 HD13 ILE A 13 3.466 6.353 -4.767 1.00 16.46 H new ATOM 223 N THR A 14 -1.678 9.477 -3.997 1.00 9.39 N ATOM 224 CA THR A 14 -3.096 9.356 -4.138 1.00 9.63 C ATOM 225 C THR A 14 -3.456 8.342 -5.169 1.00 11.20 C ATOM 226 O THR A 14 -3.167 8.433 -6.361 1.00 11.63 O ATOM 227 CB THR A 14 -3.751 10.666 -4.459 1.00 10.38 C ATOM 228 OG1 THR A 14 -3.287 11.200 -5.691 1.00 16.30 O ATOM 229 CG2 THR A 14 -3.351 11.728 -3.421 1.00 11.66 C ATOM 0 H THR A 14 -1.271 10.042 -4.743 1.00 9.39 H new ATOM 0 HA THR A 14 -3.471 9.023 -3.170 1.00 9.63 H new ATOM 0 HB THR A 14 -4.822 10.464 -4.482 1.00 10.38 H new ATOM 0 HG1 THR A 14 -2.989 10.470 -6.273 1.00 16.30 H new ATOM 0 HG21 THR A 14 -3.833 12.675 -3.665 1.00 11.66 H new ATOM 0 HG22 THR A 14 -3.667 11.405 -2.429 1.00 11.66 H new ATOM 0 HG23 THR A 14 -2.269 11.858 -3.432 1.00 11.66 H new ATOM 237 N LEU A 15 -4.022 7.214 -4.705 1.00 8.29 N ATOM 238 CA LEU A 15 -4.363 6.112 -5.550 1.00 9.03 C ATOM 239 C LEU A 15 -5.839 5.931 -5.452 1.00 8.59 C ATOM 240 O LEU A 15 -6.476 6.214 -4.438 1.00 7.79 O ATOM 241 CB LEU A 15 -3.788 4.751 -5.122 1.00 11.08 C ATOM 242 CG LEU A 15 -2.303 4.575 -5.481 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.657 3.312 -4.888 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.993 4.735 -6.979 1.00 15.88 C ATOM 0 H LEU A 15 -4.248 7.064 -3.722 1.00 8.29 H new ATOM 0 HA LEU A 15 -3.965 6.360 -6.534 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -3.910 4.636 -4.045 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.365 3.956 -5.595 1.00 11.08 H new ATOM 0 HG LEU A 15 -1.822 5.418 -4.985 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.610 3.263 -5.189 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.721 3.347 -3.800 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.181 2.429 -5.254 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.925 4.596 -7.146 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.549 3.990 -7.547 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.285 5.733 -7.306 1.00 15.88 H new ATOM 256 N GLU A 16 -6.495 5.558 -6.565 1.00 11.04 N ATOM 257 CA GLU A 16 -7.859 5.145 -6.683 1.00 11.50 C ATOM 258 C GLU A 16 -7.845 3.686 -6.985 1.00 10.13 C ATOM 259 O GLU A 16 -7.214 3.306 -7.970 1.00 9.83 O ATOM 260 CB GLU A 16 -8.595 5.892 -7.808 1.00 17.22 C ATOM 261 CG GLU A 16 -8.372 7.406 -7.815 1.00 23.33 C ATOM 262 CD GLU A 16 -8.676 7.902 -9.222 1.00 26.99 C ATOM 263 OE1 GLU A 16 -9.884 8.092 -9.523 1.00 28.86 O ATOM 264 OE2 GLU A 16 -7.743 8.016 -10.062 1.00 28.90 O ATOM 0 H GLU A 16 -6.022 5.545 -7.469 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.387 5.368 -5.756 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.274 5.486 -8.767 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -9.663 5.695 -7.720 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.021 7.893 -7.087 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -7.345 7.644 -7.537 1.00 23.33 H new ATOM 271 N VAL A 17 -8.485 2.860 -6.138 1.00 8.99 N ATOM 272 CA VAL A 17 -8.523 1.442 -6.313 1.00 8.85 C ATOM 273 C VAL A 17 -9.897 0.906 -6.099 1.00 8.04 C ATOM 274 O VAL A 17 -10.819 1.612 -5.694 1.00 8.99 O ATOM 275 CB VAL A 17 -7.502 0.649 -5.551 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.045 0.991 -5.905 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.672 0.817 -4.032 1.00 10.54 C ATOM 0 H VAL A 17 -8.988 3.186 -5.312 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.234 1.302 -7.355 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.690 -0.382 -5.851 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.372 0.374 -5.310 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.873 0.799 -6.964 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -5.856 2.043 -5.692 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -6.915 0.228 -3.514 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.558 1.868 -3.767 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.664 0.474 -3.737 1.00 10.54 H new ATOM 287 N GLU A 18 -10.144 -0.388 -6.368 1.00 7.29 N ATOM 288 CA GLU A 18 -11.384 -1.000 -6.005 1.00 7.08 C ATOM 289 C GLU A 18 -11.245 -2.015 -4.923 1.00 6.45 C ATOM 290 O GLU A 18 -10.134 -2.506 -4.726 1.00 5.28 O ATOM 291 CB GLU A 18 -12.012 -1.687 -7.230 1.00 10.28 C ATOM 292 CG GLU A 18 -12.218 -0.685 -8.367 1.00 12.65 C ATOM 293 CD GLU A 18 -13.206 -1.191 -9.409 1.00 14.15 C ATOM 294 OE1 GLU A 18 -12.917 -2.199 -10.108 1.00 18.17 O ATOM 295 OE2 GLU A 18 -14.239 -0.497 -9.607 1.00 14.33 O ATOM 0 H GLU A 18 -9.486 -1.010 -6.837 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.019 -0.196 -5.633 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -11.368 -2.499 -7.567 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -12.968 -2.132 -6.953 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -12.577 0.259 -7.956 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -11.261 -0.480 -8.846 1.00 12.65 H new ATOM 302 N PRO A 19 -12.202 -2.458 -4.164 1.00 7.24 N ATOM 303 CA PRO A 19 -11.871 -3.129 -2.940 1.00 7.07 C ATOM 304 C PRO A 19 -11.610 -4.593 -3.031 1.00 6.65 C ATOM 305 O PRO A 19 -11.280 -5.289 -2.072 1.00 6.37 O ATOM 306 CB PRO A 19 -13.045 -2.880 -1.995 1.00 7.61 C ATOM 307 CG PRO A 19 -14.200 -2.675 -2.988 1.00 8.16 C ATOM 308 CD PRO A 19 -13.593 -2.036 -4.247 1.00 7.49 C ATOM 0 HA PRO A 19 -10.919 -2.723 -2.598 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.222 -3.725 -1.329 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.886 -2.005 -1.365 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.677 -3.625 -3.228 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.969 -2.032 -2.560 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -14.074 -2.394 -5.158 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.691 -0.950 -4.240 1.00 7.49 H new ATOM 316 N SER A 20 -11.653 -5.085 -4.282 1.00 6.80 N ATOM 317 CA SER A 20 -11.212 -6.372 -4.722 1.00 6.28 C ATOM 318 C SER A 20 -9.801 -6.285 -5.194 1.00 8.45 C ATOM 319 O SER A 20 -9.290 -7.292 -5.682 1.00 7.26 O ATOM 320 CB SER A 20 -12.034 -7.056 -5.828 1.00 8.57 C ATOM 321 OG SER A 20 -13.423 -7.003 -5.540 1.00 11.13 O ATOM 0 H SER A 20 -12.030 -4.532 -5.052 1.00 6.80 H new ATOM 0 HA SER A 20 -11.338 -6.996 -3.838 1.00 6.28 H new ATOM 0 HB2 SER A 20 -11.839 -6.570 -6.784 1.00 8.57 H new ATOM 0 HB3 SER A 20 -11.720 -8.095 -5.929 1.00 8.57 H new ATOM 0 HG SER A 20 -13.923 -7.443 -6.259 1.00 11.13 H new ATOM 327 N ASP A 21 -9.059 -5.167 -5.105 1.00 7.50 N ATOM 328 CA ASP A 21 -7.632 -5.178 -5.200 1.00 7.70 C ATOM 329 C ASP A 21 -6.877 -5.775 -4.063 1.00 7.08 C ATOM 330 O ASP A 21 -7.096 -5.479 -2.889 1.00 8.11 O ATOM 331 CB ASP A 21 -7.161 -3.747 -5.506 1.00 11.00 C ATOM 332 CG ASP A 21 -7.437 -3.361 -6.953 1.00 15.32 C ATOM 333 OD1 ASP A 21 -6.834 -4.054 -7.815 1.00 14.36 O ATOM 334 OD2 ASP A 21 -8.330 -2.538 -7.288 1.00 18.03 O ATOM 0 H ASP A 21 -9.457 -4.238 -4.965 1.00 7.50 H new ATOM 0 HA ASP A 21 -7.395 -5.868 -6.010 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.666 -3.047 -4.840 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.093 -3.664 -5.305 1.00 11.00 H new ATOM 339 N THR A 22 -5.905 -6.673 -4.303 1.00 5.37 N ATOM 340 CA THR A 22 -5.019 -7.240 -3.334 1.00 6.01 C ATOM 341 C THR A 22 -3.951 -6.317 -2.857 1.00 8.01 C ATOM 342 O THR A 22 -3.723 -5.290 -3.495 1.00 8.11 O ATOM 343 CB THR A 22 -4.435 -8.560 -3.743 1.00 8.92 C ATOM 344 OG1 THR A 22 -3.535 -8.484 -4.839 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.564 -9.448 -4.294 1.00 9.65 C ATOM 0 H THR A 22 -5.726 -7.028 -5.243 1.00 5.37 H new ATOM 0 HA THR A 22 -5.676 -7.424 -2.484 1.00 6.01 H new ATOM 0 HB THR A 22 -3.927 -8.930 -2.853 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.195 -9.380 -5.046 1.00 10.22 H new ATOM 0 HG21 THR A 22 -5.154 -10.412 -4.596 1.00 9.65 H new ATOM 0 HG22 THR A 22 -6.318 -9.600 -3.521 1.00 9.65 H new ATOM 0 HG23 THR A 22 -6.021 -8.962 -5.156 1.00 9.65 H new ATOM 353 N ILE A 23 -3.363 -6.588 -1.678 1.00 8.32 N ATOM 354 CA ILE A 23 -2.306 -5.772 -1.165 1.00 9.92 C ATOM 355 C ILE A 23 -1.157 -5.681 -2.109 1.00 10.01 C ATOM 356 O ILE A 23 -0.594 -4.601 -2.277 1.00 8.71 O ATOM 357 CB ILE A 23 -1.843 -6.265 0.174 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.986 -6.078 1.186 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.589 -5.518 0.658 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.426 -4.615 1.191 1.00 12.30 C ATOM 0 H ILE A 23 -3.620 -7.373 -1.079 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.714 -4.768 -1.046 1.00 9.92 H new ATOM 0 HB ILE A 23 -1.577 -7.318 0.084 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.826 -6.721 0.925 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -2.656 -6.373 2.182 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.287 -5.906 1.631 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.220 -5.664 -0.058 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.810 -4.454 0.744 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.236 -4.481 1.908 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.584 -3.983 1.473 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.772 -4.336 0.196 1.00 12.30 H new ATOM 372 N GLU A 24 -0.996 -6.749 -2.910 1.00 9.54 N ATOM 373 CA GLU A 24 -0.037 -6.866 -3.965 1.00 11.81 C ATOM 374 C GLU A 24 -0.172 -5.755 -4.949 1.00 11.14 C ATOM 375 O GLU A 24 0.755 -5.123 -5.453 1.00 10.62 O ATOM 376 CB GLU A 24 0.052 -8.225 -4.678 1.00 19.24 C ATOM 377 CG GLU A 24 0.549 -9.450 -3.907 1.00 27.76 C ATOM 378 CD GLU A 24 1.051 -10.555 -4.825 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.141 -11.281 -5.306 1.00 34.80 O ATOM 380 OE2 GLU A 24 2.283 -10.762 -4.993 1.00 36.51 O ATOM 0 H GLU A 24 -1.573 -7.585 -2.814 1.00 9.54 H new ATOM 0 HA GLU A 24 0.916 -6.789 -3.441 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.942 -8.460 -5.058 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.703 -8.098 -5.543 1.00 19.24 H new ATOM 0 HG2 GLU A 24 1.352 -9.150 -3.233 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -0.260 -9.837 -3.287 1.00 27.76 H new ATOM 387 N ASN A 25 -1.426 -5.479 -5.352 1.00 9.43 N ATOM 388 CA ASN A 25 -1.778 -4.535 -6.366 1.00 10.96 C ATOM 389 C ASN A 25 -1.412 -3.139 -5.994 1.00 9.68 C ATOM 390 O ASN A 25 -0.835 -2.334 -6.722 1.00 9.33 O ATOM 391 CB ASN A 25 -3.255 -4.600 -6.791 1.00 16.78 C ATOM 392 CG ASN A 25 -3.671 -5.999 -7.225 1.00 22.31 C ATOM 393 OD1 ASN A 25 -5.011 -6.211 -7.133 1.00 25.66 O flip ATOM 394 ND2 ASN A 25 -2.918 -6.868 -7.661 1.00 24.70 N flip ATOM 0 H ASN A 25 -2.239 -5.942 -4.946 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.185 -4.832 -7.231 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.884 -4.277 -5.961 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -3.426 -3.902 -7.611 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -1.915 -6.690 -7.722 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -3.296 -7.767 -7.961 1.00 24.70 H new ATOM 401 N VAL A 26 -1.738 -2.795 -4.735 1.00 6.52 N ATOM 402 CA VAL A 26 -1.366 -1.551 -4.135 1.00 5.53 C ATOM 403 C VAL A 26 0.101 -1.294 -4.109 1.00 4.42 C ATOM 404 O VAL A 26 0.549 -0.224 -4.518 1.00 3.40 O ATOM 405 CB VAL A 26 -1.951 -1.380 -2.765 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.640 0.025 -2.222 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.457 -1.692 -2.770 1.00 8.12 C ATOM 0 H VAL A 26 -2.277 -3.401 -4.116 1.00 6.52 H new ATOM 0 HA VAL A 26 -1.798 -0.799 -4.795 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.486 -2.097 -2.088 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.071 0.134 -1.227 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.560 0.163 -2.167 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.068 0.775 -2.887 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.859 -1.561 -1.765 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.967 -1.015 -3.456 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.614 -2.721 -3.092 1.00 8.12 H new ATOM 417 N LYS A 27 0.922 -2.291 -3.733 1.00 2.64 N ATOM 418 CA LYS A 27 2.338 -2.328 -3.933 1.00 4.14 C ATOM 419 C LYS A 27 2.879 -2.270 -5.320 1.00 5.58 C ATOM 420 O LYS A 27 3.903 -1.668 -5.638 1.00 4.11 O ATOM 421 CB LYS A 27 2.938 -3.512 -3.155 1.00 3.97 C ATOM 422 CG LYS A 27 2.869 -3.652 -1.633 1.00 7.45 C ATOM 423 CD LYS A 27 3.780 -4.720 -1.025 1.00 9.02 C ATOM 424 CE LYS A 27 3.571 -6.157 -1.510 1.00 12.90 C ATOM 425 NZ LYS A 27 4.538 -7.130 -0.954 1.00 15.47 N ATOM 0 H LYS A 27 0.574 -3.124 -3.259 1.00 2.64 H new ATOM 0 HA LYS A 27 2.662 -1.363 -3.542 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.479 -4.411 -3.566 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.995 -3.545 -3.417 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.119 -2.690 -1.186 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.840 -3.876 -1.353 1.00 7.45 H new ATOM 0 HD2 LYS A 27 4.814 -4.440 -1.226 1.00 9.02 H new ATOM 0 HD3 LYS A 27 3.649 -4.703 0.057 1.00 9.02 H new ATOM 0 HE2 LYS A 27 2.562 -6.474 -1.248 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.639 -6.175 -2.598 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.331 -8.078 -1.329 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.503 -6.854 -1.225 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 4.460 -7.143 0.083 1.00 15.47 H new ATOM 439 N ALA A 28 2.178 -2.817 -6.329 1.00 6.61 N ATOM 440 CA ALA A 28 2.480 -2.797 -7.727 1.00 7.74 C ATOM 441 C ALA A 28 2.414 -1.449 -8.358 1.00 9.17 C ATOM 442 O ALA A 28 3.297 -1.116 -9.147 1.00 11.45 O ATOM 443 CB ALA A 28 1.550 -3.743 -8.506 1.00 7.68 C ATOM 0 H ALA A 28 1.312 -3.324 -6.144 1.00 6.61 H new ATOM 0 HA ALA A 28 3.516 -3.130 -7.784 1.00 7.74 H new ATOM 0 HB1 ALA A 28 1.801 -3.709 -9.566 1.00 7.68 H new ATOM 0 HB2 ALA A 28 1.674 -4.761 -8.137 1.00 7.68 H new ATOM 0 HB3 ALA A 28 0.515 -3.431 -8.368 1.00 7.68 H new ATOM 449 N LYS A 29 1.353 -0.692 -8.027 1.00 8.96 N ATOM 450 CA LYS A 29 1.280 0.691 -8.381 1.00 7.90 C ATOM 451 C LYS A 29 2.234 1.666 -7.780 1.00 6.92 C ATOM 452 O LYS A 29 2.577 2.721 -8.310 1.00 6.87 O ATOM 453 CB LYS A 29 -0.104 1.218 -7.964 1.00 10.28 C ATOM 454 CG LYS A 29 -1.185 0.696 -8.913 1.00 14.94 C ATOM 455 CD LYS A 29 -2.581 0.690 -8.286 1.00 19.69 C ATOM 456 CE LYS A 29 -3.542 -0.307 -8.937 1.00 22.63 C ATOM 457 NZ LYS A 29 -3.732 -0.120 -10.393 1.00 24.98 N ATOM 0 H LYS A 29 0.543 -1.039 -7.513 1.00 8.96 H new ATOM 0 HA LYS A 29 1.520 0.657 -9.444 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.326 0.906 -6.944 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.102 2.308 -7.970 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -1.199 1.312 -9.812 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -0.929 -0.317 -9.225 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -2.492 0.456 -7.225 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -3.006 1.691 -8.357 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -3.172 -1.317 -8.759 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -4.512 -0.231 -8.445 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -4.396 -0.836 -10.751 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -4.115 0.830 -10.574 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -2.818 -0.222 -10.878 1.00 24.98 H new ATOM 471 N ILE A 30 2.800 1.273 -6.625 1.00 4.57 N ATOM 472 CA ILE A 30 3.894 1.945 -5.997 1.00 5.58 C ATOM 473 C ILE A 30 5.186 1.695 -6.696 1.00 7.26 C ATOM 474 O ILE A 30 5.979 2.620 -6.864 1.00 9.46 O ATOM 475 CB ILE A 30 3.953 1.600 -4.538 1.00 5.36 C ATOM 476 CG1 ILE A 30 2.662 2.064 -3.842 1.00 2.94 C ATOM 477 CG2 ILE A 30 5.062 2.474 -3.928 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.434 1.420 -2.476 1.00 2.00 C ATOM 0 H ILE A 30 2.482 0.453 -6.108 1.00 4.57 H new ATOM 0 HA ILE A 30 3.720 3.018 -6.076 1.00 5.58 H new ATOM 0 HB ILE A 30 4.107 0.528 -4.418 1.00 5.36 H new ATOM 0 HG12 ILE A 30 2.694 3.147 -3.722 1.00 2.94 H new ATOM 0 HG13 ILE A 30 1.812 1.839 -4.486 1.00 2.94 H new ATOM 0 HG21 ILE A 30 5.148 2.262 -2.862 1.00 2.78 H new ATOM 0 HG22 ILE A 30 6.010 2.254 -4.419 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.815 3.526 -4.070 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.505 1.796 -2.047 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.369 0.338 -2.590 1.00 2.00 H new ATOM 0 HD13 ILE A 30 3.265 1.666 -1.815 1.00 2.00 H new ATOM 490 N GLN A 31 5.485 0.463 -7.146 1.00 7.06 N ATOM 491 CA GLN A 31 6.545 0.116 -8.042 1.00 8.67 C ATOM 492 C GLN A 31 6.561 0.899 -9.309 1.00 10.90 C ATOM 493 O GLN A 31 7.491 1.670 -9.542 1.00 9.63 O ATOM 494 CB GLN A 31 6.648 -1.370 -8.423 1.00 9.12 C ATOM 495 CG GLN A 31 7.770 -1.767 -9.386 1.00 10.76 C ATOM 496 CD GLN A 31 7.757 -3.267 -9.641 1.00 13.78 C ATOM 497 OE1 GLN A 31 8.627 -4.083 -9.341 1.00 14.48 O ATOM 498 NE2 GLN A 31 6.727 -3.678 -10.428 1.00 14.76 N ATOM 0 H GLN A 31 4.943 -0.353 -6.861 1.00 7.06 H new ATOM 0 HA GLN A 31 7.408 0.374 -7.428 1.00 8.67 H new ATOM 0 HB2 GLN A 31 6.769 -1.947 -7.506 1.00 9.12 H new ATOM 0 HB3 GLN A 31 5.699 -1.672 -8.866 1.00 9.12 H new ATOM 0 HG2 GLN A 31 7.653 -1.232 -10.329 1.00 10.76 H new ATOM 0 HG3 GLN A 31 8.734 -1.472 -8.970 1.00 10.76 H new ATOM 0 HE21 GLN A 31 5.993 -3.021 -10.691 1.00 14.76 H new ATOM 0 HE22 GLN A 31 6.689 -4.643 -10.755 1.00 14.76 H new ATOM 507 N ASP A 32 5.514 0.878 -10.152 1.00 10.93 N ATOM 508 CA ASP A 32 5.283 1.854 -11.172 1.00 14.01 C ATOM 509 C ASP A 32 5.492 3.296 -10.862 1.00 14.04 C ATOM 510 O ASP A 32 6.013 4.042 -11.691 1.00 13.39 O ATOM 511 CB ASP A 32 3.870 1.478 -11.648 1.00 18.01 C ATOM 512 CG ASP A 32 3.269 2.528 -12.572 1.00 24.33 C ATOM 513 OD1 ASP A 32 2.727 3.550 -12.072 1.00 26.29 O ATOM 514 OD2 ASP A 32 3.306 2.316 -13.813 1.00 25.17 O ATOM 0 H ASP A 32 4.799 0.151 -10.122 1.00 10.93 H new ATOM 0 HA ASP A 32 6.056 1.802 -11.938 1.00 14.01 H new ATOM 0 HB2 ASP A 32 3.908 0.520 -12.167 1.00 18.01 H new ATOM 0 HB3 ASP A 32 3.221 1.346 -10.782 1.00 18.01 H new ATOM 519 N LYS A 33 5.019 3.802 -9.710 1.00 14.22 N ATOM 520 CA LYS A 33 5.047 5.196 -9.394 1.00 14.00 C ATOM 521 C LYS A 33 6.421 5.609 -8.990 1.00 12.37 C ATOM 522 O LYS A 33 6.933 6.629 -9.449 1.00 12.17 O ATOM 523 CB LYS A 33 3.948 5.443 -8.347 1.00 18.62 C ATOM 524 CG LYS A 33 3.685 6.903 -7.975 1.00 24.00 C ATOM 525 CD LYS A 33 3.202 7.756 -9.150 1.00 27.61 C ATOM 526 CE LYS A 33 1.780 7.408 -9.595 1.00 27.64 C ATOM 527 NZ LYS A 33 1.658 8.220 -10.826 1.00 30.06 N ATOM 0 H LYS A 33 4.605 3.225 -8.977 1.00 14.22 H new ATOM 0 HA LYS A 33 4.826 5.828 -10.254 1.00 14.00 H new ATOM 0 HB2 LYS A 33 3.018 5.011 -8.718 1.00 18.62 H new ATOM 0 HB3 LYS A 33 4.212 4.900 -7.439 1.00 18.62 H new ATOM 0 HG2 LYS A 33 2.940 6.938 -7.180 1.00 24.00 H new ATOM 0 HG3 LYS A 33 4.600 7.338 -7.573 1.00 24.00 H new ATOM 0 HD2 LYS A 33 3.242 8.808 -8.869 1.00 27.61 H new ATOM 0 HD3 LYS A 33 3.883 7.625 -9.991 1.00 27.61 H new ATOM 0 HE2 LYS A 33 1.659 6.343 -9.791 1.00 27.64 H new ATOM 0 HE3 LYS A 33 1.036 7.681 -8.847 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.717 8.077 -11.244 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 1.784 9.226 -10.592 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 2.388 7.929 -11.508 1.00 30.06 H new ATOM 541 N GLU A 34 7.074 4.877 -8.069 1.00 10.11 N ATOM 542 CA GLU A 34 8.191 5.368 -7.325 1.00 10.07 C ATOM 543 C GLU A 34 9.496 4.700 -7.593 1.00 9.32 C ATOM 544 O GLU A 34 10.520 5.248 -7.190 1.00 11.61 O ATOM 545 CB GLU A 34 7.976 5.180 -5.813 1.00 14.77 C ATOM 546 CG GLU A 34 6.833 6.081 -5.340 1.00 18.75 C ATOM 547 CD GLU A 34 7.039 7.587 -5.410 1.00 22.28 C ATOM 548 OE1 GLU A 34 7.955 8.113 -4.723 1.00 21.95 O ATOM 549 OE2 GLU A 34 6.396 8.287 -6.237 1.00 25.19 O ATOM 0 H GLU A 34 6.818 3.918 -7.836 1.00 10.11 H new ATOM 0 HA GLU A 34 8.243 6.408 -7.646 1.00 10.07 H new ATOM 0 HB2 GLU A 34 7.744 4.137 -5.595 1.00 14.77 H new ATOM 0 HB3 GLU A 34 8.891 5.423 -5.273 1.00 14.77 H new ATOM 0 HG2 GLU A 34 5.949 5.837 -5.929 1.00 18.75 H new ATOM 0 HG3 GLU A 34 6.609 5.822 -4.305 1.00 18.75 H new ATOM 556 N GLY A 35 9.488 3.500 -8.200 1.00 7.22 N ATOM 557 CA GLY A 35 10.656 2.732 -8.502 1.00 6.29 C ATOM 558 C GLY A 35 11.105 1.815 -7.417 1.00 6.93 C ATOM 559 O GLY A 35 12.288 1.497 -7.301 1.00 7.41 O ATOM 0 H GLY A 35 8.625 3.043 -8.494 1.00 7.22 H new ATOM 0 HA2 GLY A 35 10.463 2.143 -9.398 1.00 6.29 H new ATOM 0 HA3 GLY A 35 11.471 3.416 -8.739 1.00 6.29 H new ATOM 563 N ILE A 36 10.213 1.292 -6.557 1.00 5.86 N ATOM 564 CA ILE A 36 10.445 0.611 -5.321 1.00 6.07 C ATOM 565 C ILE A 36 10.087 -0.827 -5.468 1.00 6.36 C ATOM 566 O ILE A 36 8.910 -1.032 -5.762 1.00 6.18 O ATOM 567 CB ILE A 36 9.791 1.232 -4.122 1.00 7.47 C ATOM 568 CG1 ILE A 36 10.076 2.730 -3.922 1.00 8.52 C ATOM 569 CG2 ILE A 36 10.370 0.444 -2.935 1.00 7.36 C ATOM 570 CD1 ILE A 36 9.166 3.431 -2.915 1.00 9.49 C ATOM 0 H ILE A 36 9.214 1.356 -6.754 1.00 5.86 H new ATOM 0 HA ILE A 36 11.511 0.707 -5.113 1.00 6.07 H new ATOM 0 HB ILE A 36 8.708 1.180 -4.233 1.00 7.47 H new ATOM 0 HG12 ILE A 36 11.110 2.848 -3.598 1.00 8.52 H new ATOM 0 HG13 ILE A 36 9.984 3.234 -4.884 1.00 8.52 H new ATOM 0 HG21 ILE A 36 9.950 0.826 -2.005 1.00 7.36 H new ATOM 0 HG22 ILE A 36 10.117 -0.611 -3.041 1.00 7.36 H new ATOM 0 HG23 ILE A 36 11.454 0.558 -2.917 1.00 7.36 H new ATOM 0 HD11 ILE A 36 9.444 4.482 -2.843 1.00 9.49 H new ATOM 0 HD12 ILE A 36 8.130 3.352 -3.244 1.00 9.49 H new ATOM 0 HD13 ILE A 36 9.273 2.960 -1.938 1.00 9.49 H new ATOM 582 N PRO A 37 10.928 -1.814 -5.373 1.00 8.65 N ATOM 583 CA PRO A 37 10.485 -3.170 -5.527 1.00 9.18 C ATOM 584 C PRO A 37 9.500 -3.782 -4.592 1.00 9.85 C ATOM 585 O PRO A 37 9.590 -3.482 -3.402 1.00 8.51 O ATOM 586 CB PRO A 37 11.833 -3.872 -5.381 1.00 11.42 C ATOM 587 CG PRO A 37 12.837 -2.940 -6.079 1.00 9.27 C ATOM 588 CD PRO A 37 12.344 -1.567 -5.597 1.00 8.33 C ATOM 0 HA PRO A 37 9.900 -3.252 -6.443 1.00 9.18 H new ATOM 0 HB2 PRO A 37 12.092 -4.018 -4.332 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.818 -4.858 -5.846 1.00 11.42 H new ATOM 0 HG2 PRO A 37 13.865 -3.139 -5.776 1.00 9.27 H new ATOM 0 HG3 PRO A 37 12.801 -3.034 -7.164 1.00 9.27 H new ATOM 0 HD2 PRO A 37 12.851 -1.248 -4.686 1.00 8.33 H new ATOM 0 HD3 PRO A 37 12.509 -0.790 -6.343 1.00 8.33 H new ATOM 596 N PRO A 38 8.536 -4.601 -4.889 1.00 8.71 N ATOM 597 CA PRO A 38 7.421 -4.868 -4.028 1.00 9.08 C ATOM 598 C PRO A 38 7.676 -5.738 -2.845 1.00 9.28 C ATOM 599 O PRO A 38 6.834 -5.972 -1.981 1.00 6.50 O ATOM 600 CB PRO A 38 6.344 -5.493 -4.911 1.00 10.31 C ATOM 601 CG PRO A 38 6.636 -5.017 -6.343 1.00 10.81 C ATOM 602 CD PRO A 38 8.167 -4.897 -6.266 1.00 12.00 C ATOM 0 HA PRO A 38 7.135 -3.919 -3.575 1.00 9.08 H new ATOM 0 HB2 PRO A 38 6.372 -6.581 -4.849 1.00 10.31 H new ATOM 0 HB3 PRO A 38 5.349 -5.181 -4.592 1.00 10.31 H new ATOM 0 HG2 PRO A 38 6.310 -5.734 -7.097 1.00 10.81 H new ATOM 0 HG3 PRO A 38 6.153 -4.068 -6.575 1.00 10.81 H new ATOM 0 HD2 PRO A 38 8.637 -5.824 -6.594 1.00 12.00 H new ATOM 0 HD3 PRO A 38 8.520 -4.109 -6.931 1.00 12.00 H new ATOM 610 N ASP A 39 8.898 -6.290 -2.732 1.00 11.20 N ATOM 611 CA ASP A 39 9.278 -7.098 -1.615 1.00 14.96 C ATOM 612 C ASP A 39 10.018 -6.269 -0.622 1.00 13.99 C ATOM 613 O ASP A 39 10.018 -6.676 0.539 1.00 13.75 O ATOM 614 CB ASP A 39 10.055 -8.275 -2.228 1.00 24.16 C ATOM 615 CG ASP A 39 11.343 -7.722 -2.821 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.262 -6.900 -3.773 1.00 35.55 O ATOM 617 OD2 ASP A 39 12.411 -8.246 -2.404 1.00 34.22 O ATOM 0 H ASP A 39 9.634 -6.173 -3.428 1.00 11.20 H new ATOM 0 HA ASP A 39 8.447 -7.500 -1.035 1.00 14.96 H new ATOM 0 HB2 ASP A 39 10.275 -9.025 -1.468 1.00 24.16 H new ATOM 0 HB3 ASP A 39 9.460 -8.766 -2.998 1.00 24.16 H new ATOM 622 N GLN A 40 10.571 -5.134 -1.084 1.00 11.60 N ATOM 623 CA GLN A 40 11.079 -4.189 -0.138 1.00 10.76 C ATOM 624 C GLN A 40 9.968 -3.543 0.616 1.00 8.01 C ATOM 625 O GLN A 40 10.113 -3.160 1.775 1.00 8.96 O ATOM 626 CB GLN A 40 12.048 -3.136 -0.701 1.00 11.14 C ATOM 627 CG GLN A 40 13.272 -3.747 -1.387 1.00 14.85 C ATOM 628 CD GLN A 40 13.929 -2.640 -2.199 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.353 -1.563 -2.346 1.00 20.52 O ATOM 630 NE2 GLN A 40 15.189 -2.916 -2.630 1.00 18.16 N ATOM 0 H GLN A 40 10.665 -4.876 -2.066 1.00 11.60 H new ATOM 0 HA GLN A 40 11.691 -4.784 0.540 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.516 -2.507 -1.415 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.380 -2.487 0.110 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.967 -4.148 -0.649 1.00 14.85 H new ATOM 0 HG3 GLN A 40 12.979 -4.575 -2.032 1.00 14.85 H new ATOM 0 HE21 GLN A 40 15.593 -3.838 -2.467 1.00 18.16 H new ATOM 0 HE22 GLN A 40 15.730 -2.201 -3.117 1.00 18.16 H new ATOM 639 N GLN A 41 8.885 -3.198 -0.103 1.00 6.52 N ATOM 640 CA GLN A 41 7.685 -2.665 0.462 1.00 3.87 C ATOM 641 C GLN A 41 6.998 -3.558 1.437 1.00 4.79 C ATOM 642 O GLN A 41 6.815 -4.733 1.122 1.00 6.34 O ATOM 643 CB GLN A 41 6.726 -2.365 -0.702 1.00 4.20 C ATOM 644 CG GLN A 41 7.319 -1.452 -1.777 1.00 3.20 C ATOM 645 CD GLN A 41 6.177 -1.059 -2.703 1.00 4.89 C ATOM 646 OE1 GLN A 41 5.091 -0.611 -2.339 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.461 -1.202 -4.025 1.00 7.13 N ATOM 0 H GLN A 41 8.844 -3.294 -1.118 1.00 6.52 H new ATOM 0 HA GLN A 41 7.965 -1.778 1.030 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.426 -3.306 -1.164 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.822 -1.902 -0.305 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.772 -0.569 -1.327 1.00 3.20 H new ATOM 0 HG3 GLN A 41 8.105 -1.967 -2.330 1.00 3.20 H new ATOM 0 HE21 GLN A 41 7.365 -1.575 -4.315 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.770 -0.937 -4.727 1.00 7.13 H new ATOM 656 N ARG A 42 6.444 -2.967 2.510 1.00 5.73 N ATOM 657 CA ARG A 42 5.299 -3.382 3.259 1.00 6.97 C ATOM 658 C ARG A 42 4.498 -2.131 3.386 1.00 7.15 C ATOM 659 O ARG A 42 4.960 -0.992 3.371 1.00 7.33 O ATOM 660 CB ARG A 42 5.795 -4.052 4.551 1.00 13.23 C ATOM 661 CG ARG A 42 6.618 -5.320 4.315 1.00 21.27 C ATOM 662 CD ARG A 42 6.826 -6.109 5.609 1.00 26.14 C ATOM 663 NE ARG A 42 7.355 -7.454 5.246 1.00 32.26 N ATOM 664 CZ ARG A 42 7.576 -8.437 6.167 1.00 34.32 C ATOM 665 NH1 ARG A 42 7.465 -8.344 7.524 1.00 35.30 N ATOM 666 NH2 ARG A 42 7.923 -9.640 5.622 1.00 36.39 N ATOM 0 H ARG A 42 6.842 -2.108 2.891 1.00 5.73 H new ATOM 0 HA ARG A 42 4.656 -4.143 2.818 1.00 6.97 H new ATOM 0 HB2 ARG A 42 6.399 -3.338 5.110 1.00 13.23 H new ATOM 0 HB3 ARG A 42 4.935 -4.299 5.174 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.114 -5.950 3.582 1.00 21.27 H new ATOM 0 HG3 ARG A 42 7.586 -5.052 3.893 1.00 21.27 H new ATOM 0 HD2 ARG A 42 7.524 -5.589 6.265 1.00 26.14 H new ATOM 0 HD3 ARG A 42 5.887 -6.203 6.154 1.00 26.14 H new ATOM 0 HE ARG A 42 7.561 -7.649 4.266 1.00 32.26 H new ATOM 0 HH11 ARG A 42 7.188 -7.461 7.954 1.00 35.30 H new ATOM 0 HH12 ARG A 42 7.659 -9.157 8.108 1.00 35.30 H new ATOM 0 HH21 ARG A 42 7.996 -9.739 4.609 1.00 36.39 H new ATOM 0 HH22 ARG A 42 8.109 -10.439 6.227 1.00 36.39 H new ATOM 680 N LEU A 43 3.183 -2.396 3.493 1.00 4.65 N ATOM 681 CA LEU A 43 2.136 -1.510 3.899 1.00 3.51 C ATOM 682 C LEU A 43 1.579 -1.898 5.226 1.00 5.56 C ATOM 683 O LEU A 43 1.340 -3.075 5.492 1.00 4.19 O ATOM 684 CB LEU A 43 0.940 -1.425 2.936 1.00 3.74 C ATOM 685 CG LEU A 43 1.368 -0.912 1.550 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.192 -1.203 0.602 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.729 0.582 1.499 1.00 9.55 C ATOM 0 H LEU A 43 2.820 -3.323 3.273 1.00 4.65 H new ATOM 0 HA LEU A 43 2.630 -0.539 3.922 1.00 3.51 H new ATOM 0 HB2 LEU A 43 0.482 -2.409 2.835 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.182 -0.761 3.353 1.00 3.74 H new ATOM 0 HG LEU A 43 2.287 -1.423 1.264 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.440 -0.858 -0.402 1.00 6.41 H new ATOM 0 HD12 LEU A 43 -0.001 -2.276 0.580 1.00 6.41 H new ATOM 0 HD13 LEU A 43 -0.698 -0.681 0.955 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.018 0.852 0.483 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.866 1.175 1.801 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.560 0.779 2.177 1.00 9.55 H new ATOM 699 N ILE A 44 1.249 -0.888 6.051 1.00 4.58 N ATOM 700 CA ILE A 44 0.538 -0.995 7.287 1.00 5.55 C ATOM 701 C ILE A 44 -0.824 -0.412 7.121 1.00 5.46 C ATOM 702 O ILE A 44 -0.919 0.610 6.443 1.00 6.04 O ATOM 703 CB ILE A 44 1.369 -0.331 8.345 1.00 6.80 C ATOM 704 CG1 ILE A 44 2.629 -1.105 8.765 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.555 -0.057 9.621 1.00 7.39 C ATOM 706 CD1 ILE A 44 3.678 -0.103 9.246 1.00 13.90 C ATOM 0 H ILE A 44 1.499 0.077 5.836 1.00 4.58 H new ATOM 0 HA ILE A 44 0.381 -2.029 7.595 1.00 5.55 H new ATOM 0 HB ILE A 44 1.687 0.595 7.866 1.00 6.80 H new ATOM 0 HG12 ILE A 44 2.391 -1.814 9.558 1.00 10.31 H new ATOM 0 HG13 ILE A 44 3.015 -1.684 7.926 1.00 10.31 H new ATOM 0 HG21 ILE A 44 1.192 0.424 10.363 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.284 0.597 9.384 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.179 -0.998 10.022 1.00 7.39 H new ATOM 0 HD11 ILE A 44 4.579 -0.637 9.548 1.00 13.90 H new ATOM 0 HD12 ILE A 44 3.919 0.588 8.438 1.00 13.90 H new ATOM 0 HD13 ILE A 44 3.285 0.455 10.096 1.00 13.90 H new ATOM 718 N PHE A 45 -1.925 -0.920 7.703 1.00 6.75 N ATOM 719 CA PHE A 45 -3.061 -0.077 7.910 1.00 4.70 C ATOM 720 C PHE A 45 -3.583 -0.185 9.302 1.00 6.34 C ATOM 721 O PHE A 45 -3.838 -1.270 9.821 1.00 5.45 O ATOM 722 CB PHE A 45 -4.186 -0.444 6.927 1.00 5.51 C ATOM 723 CG PHE A 45 -5.430 0.343 7.157 1.00 5.98 C ATOM 724 CD1 PHE A 45 -5.431 1.717 7.209 1.00 6.86 C ATOM 725 CD2 PHE A 45 -6.601 -0.371 7.253 1.00 5.87 C ATOM 726 CE1 PHE A 45 -6.579 2.411 7.511 1.00 6.68 C ATOM 727 CE2 PHE A 45 -7.774 0.302 7.503 1.00 6.64 C ATOM 728 CZ PHE A 45 -7.715 1.661 7.707 1.00 6.84 C ATOM 0 H PHE A 45 -2.029 -1.883 8.022 1.00 6.75 H new ATOM 0 HA PHE A 45 -2.734 0.949 7.739 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -3.840 -0.279 5.907 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -4.411 -1.507 7.019 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -4.518 2.258 7.010 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -6.600 -1.444 7.134 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -6.588 3.488 7.590 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -8.717 -0.223 7.538 1.00 6.64 H new ATOM 0 HZ PHE A 45 -8.610 2.167 8.039 1.00 6.84 H new ATOM 738 N ALA A 46 -3.799 0.946 9.998 1.00 6.53 N ATOM 739 CA ALA A 46 -4.391 1.047 11.296 1.00 7.15 C ATOM 740 C ALA A 46 -3.526 0.342 12.283 1.00 9.00 C ATOM 741 O ALA A 46 -4.040 -0.397 13.121 1.00 11.15 O ATOM 742 CB ALA A 46 -5.840 0.533 11.273 1.00 8.99 C ATOM 0 H ALA A 46 -3.539 1.858 9.623 1.00 6.53 H new ATOM 0 HA ALA A 46 -4.453 2.090 11.605 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -6.272 0.618 12.270 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -6.426 1.127 10.571 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -5.851 -0.511 10.961 1.00 8.99 H new ATOM 748 N GLY A 47 -2.194 0.526 12.241 1.00 9.35 N ATOM 749 CA GLY A 47 -1.155 -0.022 13.056 1.00 11.68 C ATOM 750 C GLY A 47 -0.642 -1.342 12.593 1.00 11.14 C ATOM 751 O GLY A 47 0.549 -1.612 12.737 1.00 13.93 O ATOM 0 H GLY A 47 -1.797 1.146 11.535 1.00 9.35 H new ATOM 0 HA2 GLY A 47 -0.326 0.685 13.090 1.00 11.68 H new ATOM 0 HA3 GLY A 47 -1.527 -0.127 14.075 1.00 11.68 H new ATOM 755 N LYS A 48 -1.532 -2.124 11.956 1.00 10.47 N ATOM 756 CA LYS A 48 -1.369 -3.512 11.650 1.00 8.82 C ATOM 757 C LYS A 48 -0.841 -3.735 10.275 1.00 7.68 C ATOM 758 O LYS A 48 -1.216 -3.120 9.278 1.00 6.47 O ATOM 759 CB LYS A 48 -2.677 -4.310 11.783 1.00 9.74 C ATOM 760 CG LYS A 48 -2.573 -5.821 11.998 1.00 14.14 C ATOM 761 CD LYS A 48 -3.952 -6.410 12.301 1.00 16.32 C ATOM 762 CE LYS A 48 -4.073 -7.860 12.774 1.00 20.04 C ATOM 763 NZ LYS A 48 -3.947 -8.730 11.583 1.00 23.92 N ATOM 0 H LYS A 48 -2.428 -1.760 11.632 1.00 10.47 H new ATOM 0 HA LYS A 48 -0.648 -3.868 12.386 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -3.241 -3.891 12.616 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -3.266 -4.140 10.882 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -2.155 -6.294 11.109 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -1.891 -6.032 12.822 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -4.414 -5.780 13.061 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -4.553 -6.312 11.397 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -3.295 -8.092 13.502 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -5.031 -8.023 13.268 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -4.025 -9.726 11.871 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -4.704 -8.505 10.907 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -3.023 -8.571 11.133 1.00 23.92 H new ATOM 777 N GLN A 49 0.179 -4.600 10.134 1.00 8.89 N ATOM 778 CA GLN A 49 0.893 -4.824 8.916 1.00 7.18 C ATOM 779 C GLN A 49 0.063 -5.663 8.007 1.00 8.23 C ATOM 780 O GLN A 49 -0.481 -6.712 8.348 1.00 9.70 O ATOM 781 CB GLN A 49 2.235 -5.528 9.180 1.00 11.67 C ATOM 782 CG GLN A 49 3.288 -5.578 8.072 1.00 15.82 C ATOM 783 CD GLN A 49 4.674 -5.867 8.632 1.00 20.21 C ATOM 784 OE1 GLN A 49 5.080 -7.025 8.548 1.00 23.23 O ATOM 785 NE2 GLN A 49 5.321 -4.849 9.260 1.00 20.67 N ATOM 0 H GLN A 49 0.522 -5.170 10.907 1.00 8.89 H new ATOM 0 HA GLN A 49 1.099 -3.858 8.454 1.00 7.18 H new ATOM 0 HB2 GLN A 49 2.692 -5.046 10.044 1.00 11.67 H new ATOM 0 HB3 GLN A 49 2.014 -6.556 9.468 1.00 11.67 H new ATOM 0 HG2 GLN A 49 3.019 -6.347 7.348 1.00 15.82 H new ATOM 0 HG3 GLN A 49 3.301 -4.628 7.538 1.00 15.82 H new ATOM 0 HE21 GLN A 49 4.907 -3.917 9.280 1.00 20.67 H new ATOM 0 HE22 GLN A 49 6.220 -5.018 9.711 1.00 20.67 H new ATOM 794 N LEU A 50 0.041 -5.308 6.709 1.00 6.51 N ATOM 795 CA LEU A 50 -0.733 -5.992 5.721 1.00 7.41 C ATOM 796 C LEU A 50 0.048 -7.038 5.003 1.00 8.27 C ATOM 797 O LEU A 50 1.139 -6.702 4.546 1.00 8.34 O ATOM 798 CB LEU A 50 -1.268 -4.984 4.691 1.00 7.13 C ATOM 799 CG LEU A 50 -2.172 -3.885 5.275 1.00 7.53 C ATOM 800 CD1 LEU A 50 -2.411 -2.696 4.330 1.00 9.11 C ATOM 801 CD2 LEU A 50 -3.539 -4.528 5.562 1.00 8.14 C ATOM 0 H LEU A 50 0.577 -4.524 6.337 1.00 6.51 H new ATOM 0 HA LEU A 50 -1.551 -6.485 6.246 1.00 7.41 H new ATOM 0 HB2 LEU A 50 -0.422 -4.512 4.192 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -1.826 -5.527 3.928 1.00 7.13 H new ATOM 0 HG LEU A 50 -1.672 -3.491 6.160 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -3.058 -1.967 4.818 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -1.457 -2.228 4.085 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.887 -3.048 3.415 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -4.213 -3.780 5.979 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -3.959 -4.918 4.635 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -3.415 -5.343 6.276 1.00 8.14 H new ATOM 813 N GLU A 51 -0.383 -8.288 4.759 1.00 9.43 N ATOM 814 CA GLU A 51 0.206 -9.292 3.929 1.00 11.90 C ATOM 815 C GLU A 51 -0.305 -9.206 2.532 1.00 11.49 C ATOM 816 O GLU A 51 -1.257 -8.474 2.265 1.00 9.88 O ATOM 817 CB GLU A 51 -0.147 -10.695 4.452 1.00 16.56 C ATOM 818 CG GLU A 51 0.483 -10.854 5.838 1.00 26.06 C ATOM 819 CD GLU A 51 0.133 -12.153 6.549 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.007 -12.383 7.034 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.019 -13.044 6.637 1.00 32.13 O ATOM 0 H GLU A 51 -1.240 -8.630 5.194 1.00 9.43 H new ATOM 0 HA GLU A 51 1.283 -9.126 3.948 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -1.228 -10.820 4.508 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.228 -11.461 3.773 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.567 -10.790 5.739 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.170 -10.018 6.463 1.00 26.06 H new ATOM 828 N ASP A 52 0.302 -10.030 1.659 1.00 12.71 N ATOM 829 CA ASP A 52 0.286 -9.831 0.243 1.00 16.56 C ATOM 830 C ASP A 52 -1.008 -10.217 -0.387 1.00 15.83 C ATOM 831 O ASP A 52 -1.569 -9.417 -1.134 1.00 17.21 O ATOM 832 CB ASP A 52 1.418 -10.596 -0.464 1.00 21.05 C ATOM 833 CG ASP A 52 2.726 -9.829 -0.330 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.155 -9.542 0.819 1.00 28.37 O ATOM 835 OD2 ASP A 52 3.422 -9.467 -1.316 1.00 25.82 O ATOM 0 H ASP A 52 0.820 -10.860 1.947 1.00 12.71 H new ATOM 0 HA ASP A 52 0.431 -8.758 0.114 1.00 16.56 H new ATOM 0 HB2 ASP A 52 1.523 -11.590 -0.029 1.00 21.05 H new ATOM 0 HB3 ASP A 52 1.173 -10.733 -1.517 1.00 21.05 H new ATOM 840 N GLY A 53 -1.328 -11.466 -0.004 1.00 15.00 N ATOM 841 CA GLY A 53 -2.315 -12.150 -0.780 1.00 11.77 C ATOM 842 C GLY A 53 -3.714 -11.641 -0.823 1.00 11.10 C ATOM 843 O GLY A 53 -4.347 -11.867 -1.854 1.00 11.25 O ATOM 0 H GLY A 53 -0.935 -11.975 0.788 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -1.952 -12.186 -1.807 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -2.355 -13.178 -0.420 1.00 11.77 H new ATOM 847 N ARG A 54 -4.244 -10.959 0.208 1.00 8.53 N ATOM 848 CA ARG A 54 -5.665 -10.809 0.270 1.00 9.05 C ATOM 849 C ARG A 54 -6.080 -9.425 -0.092 1.00 8.96 C ATOM 850 O ARG A 54 -5.228 -8.568 -0.323 1.00 11.60 O ATOM 851 CB ARG A 54 -6.142 -11.188 1.682 1.00 7.97 C ATOM 852 CG ARG A 54 -5.761 -12.486 2.396 1.00 9.62 C ATOM 853 CD ARG A 54 -6.832 -12.910 3.403 1.00 12.20 C ATOM 854 NE ARG A 54 -6.197 -13.902 4.316 1.00 18.23 N ATOM 855 CZ ARG A 54 -6.702 -14.416 5.476 1.00 22.08 C ATOM 856 NH1 ARG A 54 -7.848 -13.998 6.087 1.00 23.38 N ATOM 857 NH2 ARG A 54 -6.111 -15.526 6.006 1.00 25.50 N ATOM 0 H ARG A 54 -3.717 -10.528 0.968 1.00 8.53 H new ATOM 0 HA ARG A 54 -6.131 -11.474 -0.457 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -5.826 -10.377 2.338 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -7.231 -11.167 1.651 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -5.618 -13.278 1.661 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -4.809 -12.353 2.910 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -7.199 -12.049 3.962 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -7.690 -13.348 2.893 1.00 12.20 H new ATOM 0 HE ARG A 54 -5.274 -14.238 4.041 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -8.399 -13.245 5.676 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -8.153 -14.439 6.955 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -5.312 -15.952 5.537 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -6.469 -15.930 6.872 1.00 25.50 H new ATOM 871 N THR A 55 -7.385 -9.162 -0.284 1.00 9.05 N ATOM 872 CA THR A 55 -7.955 -7.932 -0.741 1.00 9.03 C ATOM 873 C THR A 55 -8.170 -6.909 0.320 1.00 8.15 C ATOM 874 O THR A 55 -8.206 -7.128 1.530 1.00 5.91 O ATOM 875 CB THR A 55 -9.152 -8.146 -1.618 1.00 11.15 C ATOM 876 OG1 THR A 55 -10.281 -8.610 -0.892 1.00 11.95 O ATOM 877 CG2 THR A 55 -8.978 -9.079 -2.829 1.00 11.71 C ATOM 0 H THR A 55 -8.099 -9.868 -0.105 1.00 9.05 H new ATOM 0 HA THR A 55 -7.186 -7.486 -1.372 1.00 9.03 H new ATOM 0 HB THR A 55 -9.300 -7.140 -2.011 1.00 11.15 H new ATOM 0 HG1 THR A 55 -10.095 -9.503 -0.533 1.00 11.95 H new ATOM 0 HG21 THR A 55 -9.919 -9.145 -3.376 1.00 11.71 H new ATOM 0 HG22 THR A 55 -8.204 -8.682 -3.486 1.00 11.71 H new ATOM 0 HG23 THR A 55 -8.688 -10.072 -2.485 1.00 11.71 H new ATOM 885 N LEU A 56 -8.498 -5.694 -0.154 1.00 6.91 N ATOM 886 CA LEU A 56 -8.811 -4.564 0.666 1.00 8.29 C ATOM 887 C LEU A 56 -10.155 -4.718 1.291 1.00 8.05 C ATOM 888 O LEU A 56 -10.336 -4.318 2.440 1.00 10.17 O ATOM 889 CB LEU A 56 -8.833 -3.267 -0.159 1.00 6.60 C ATOM 890 CG LEU A 56 -7.507 -2.741 -0.735 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.639 -1.506 -1.642 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.474 -2.471 0.371 1.00 9.85 C ATOM 0 H LEU A 56 -8.547 -5.490 -1.152 1.00 6.91 H new ATOM 0 HA LEU A 56 -8.037 -4.509 1.432 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.520 -3.415 -0.992 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -9.257 -2.482 0.468 1.00 6.60 H new ATOM 0 HG LEU A 56 -7.157 -3.550 -1.376 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.653 -1.210 -1.999 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.276 -1.746 -2.493 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -8.082 -0.686 -1.077 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.551 -2.101 -0.076 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.867 -1.725 1.062 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -6.270 -3.395 0.912 1.00 9.85 H new ATOM 904 N SER A 57 -11.130 -5.347 0.611 1.00 8.92 N ATOM 905 CA SER A 57 -12.332 -5.857 1.194 1.00 9.00 C ATOM 906 C SER A 57 -12.168 -6.854 2.289 1.00 9.44 C ATOM 907 O SER A 57 -12.968 -6.860 3.223 1.00 10.91 O ATOM 908 CB SER A 57 -13.099 -6.535 0.046 1.00 10.32 C ATOM 909 OG SER A 57 -14.317 -7.147 0.443 1.00 13.59 O ATOM 0 H SER A 57 -11.077 -5.508 -0.395 1.00 8.92 H new ATOM 0 HA SER A 57 -12.838 -5.013 1.663 1.00 9.00 H new ATOM 0 HB2 SER A 57 -13.312 -5.792 -0.723 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.457 -7.290 -0.409 1.00 10.32 H new ATOM 0 HG SER A 57 -14.748 -7.554 -0.337 1.00 13.59 H new ATOM 915 N ASP A 58 -11.217 -7.802 2.203 1.00 9.11 N ATOM 916 CA ASP A 58 -10.992 -8.699 3.293 1.00 7.91 C ATOM 917 C ASP A 58 -10.505 -8.069 4.553 1.00 9.12 C ATOM 918 O ASP A 58 -11.073 -8.284 5.622 1.00 8.61 O ATOM 919 CB ASP A 58 -9.918 -9.759 2.994 1.00 8.41 C ATOM 920 CG ASP A 58 -10.274 -10.459 1.691 1.00 11.50 C ATOM 921 OD1 ASP A 58 -11.404 -11.015 1.736 1.00 11.70 O ATOM 922 OD2 ASP A 58 -9.487 -10.436 0.707 1.00 10.05 O ATOM 0 H ASP A 58 -10.614 -7.946 1.393 1.00 9.11 H new ATOM 0 HA ASP A 58 -11.991 -9.115 3.422 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -8.937 -9.291 2.916 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -9.863 -10.481 3.808 1.00 8.41 H new ATOM 927 N TYR A 59 -9.453 -7.243 4.413 1.00 7.97 N ATOM 928 CA TYR A 59 -8.847 -6.483 5.462 1.00 8.45 C ATOM 929 C TYR A 59 -9.838 -5.583 6.117 1.00 10.98 C ATOM 930 O TYR A 59 -9.901 -5.577 7.346 1.00 12.95 O ATOM 931 CB TYR A 59 -7.622 -5.677 4.999 1.00 7.94 C ATOM 932 CG TYR A 59 -6.429 -6.569 5.057 1.00 6.91 C ATOM 933 CD1 TYR A 59 -5.967 -7.070 6.251 1.00 6.98 C ATOM 934 CD2 TYR A 59 -5.790 -6.953 3.902 1.00 4.59 C ATOM 935 CE1 TYR A 59 -4.839 -7.851 6.351 1.00 6.52 C ATOM 936 CE2 TYR A 59 -4.770 -7.875 3.922 1.00 5.39 C ATOM 937 CZ TYR A 59 -4.286 -8.244 5.155 1.00 6.76 C ATOM 938 OH TYR A 59 -3.120 -9.035 5.217 1.00 7.63 O ATOM 0 H TYR A 59 -8.998 -7.097 3.512 1.00 7.97 H new ATOM 0 HA TYR A 59 -8.490 -7.212 6.189 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -7.771 -5.307 3.985 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -7.477 -4.806 5.638 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -6.515 -6.840 7.153 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -6.095 -6.522 2.960 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -4.417 -8.136 7.303 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -4.367 -8.291 3.010 1.00 5.39 H new ATOM 0 HH TYR A 59 -2.823 -9.251 4.309 1.00 7.63 H new ATOM 948 N ASN A 60 -10.685 -4.972 5.269 1.00 12.38 N ATOM 949 CA ASN A 60 -11.660 -3.953 5.505 1.00 13.94 C ATOM 950 C ASN A 60 -11.037 -2.600 5.532 1.00 14.16 C ATOM 951 O ASN A 60 -11.102 -1.942 6.570 1.00 14.26 O ATOM 952 CB ASN A 60 -12.526 -4.207 6.750 1.00 19.23 C ATOM 953 CG ASN A 60 -13.274 -5.531 6.811 1.00 22.65 C ATOM 954 OD1 ASN A 60 -14.204 -5.809 6.056 1.00 25.45 O ATOM 955 ND2 ASN A 60 -12.762 -6.360 7.760 1.00 24.09 N ATOM 0 H ASN A 60 -10.681 -5.233 4.283 1.00 12.38 H new ATOM 0 HA ASN A 60 -12.346 -3.992 4.659 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -11.885 -4.139 7.629 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -13.256 -3.401 6.825 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -13.153 -7.294 7.886 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -11.987 -6.048 8.345 1.00 24.09 H new ATOM 962 N ILE A 61 -10.394 -2.148 4.441 1.00 11.08 N ATOM 963 CA ILE A 61 -9.737 -0.893 4.243 1.00 11.78 C ATOM 964 C ILE A 61 -10.611 -0.017 3.414 1.00 13.74 C ATOM 965 O ILE A 61 -10.772 -0.300 2.228 1.00 14.60 O ATOM 966 CB ILE A 61 -8.437 -1.126 3.533 1.00 11.80 C ATOM 967 CG1 ILE A 61 -7.656 -2.194 4.317 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.729 0.236 3.434 1.00 13.29 C ATOM 969 CD1 ILE A 61 -6.158 -2.361 4.064 1.00 11.42 C ATOM 0 H ILE A 61 -10.329 -2.730 3.606 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.544 -0.414 5.203 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.549 -1.508 2.518 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -7.787 -1.983 5.378 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -8.130 -3.156 4.122 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.774 0.114 2.922 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.354 0.931 2.874 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.556 0.630 4.436 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -5.768 -3.156 4.700 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.992 -2.619 3.018 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.644 -1.428 4.294 1.00 11.42 H new ATOM 981 N GLN A 62 -11.299 0.980 3.999 1.00 13.97 N ATOM 982 CA GLN A 62 -12.194 1.835 3.284 1.00 15.52 C ATOM 983 C GLN A 62 -11.484 2.976 2.640 1.00 13.94 C ATOM 984 O GLN A 62 -10.278 3.195 2.742 1.00 12.15 O ATOM 985 CB GLN A 62 -13.234 2.404 4.264 1.00 19.53 C ATOM 986 CG GLN A 62 -13.808 1.269 5.114 1.00 26.38 C ATOM 987 CD GLN A 62 -14.444 0.192 4.247 1.00 30.61 C ATOM 988 OE1 GLN A 62 -14.002 -0.949 4.124 1.00 33.23 O ATOM 989 NE2 GLN A 62 -15.496 0.616 3.497 1.00 32.71 N ATOM 0 H GLN A 62 -11.231 1.197 4.993 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.666 1.240 2.503 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.773 3.155 4.905 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -14.033 2.901 3.715 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -13.015 0.829 5.720 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -14.551 1.669 5.803 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -15.853 1.565 3.609 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -15.928 -0.015 2.822 1.00 32.71 H new ATOM 998 N LYS A 63 -12.207 3.870 1.943 1.00 11.73 N ATOM 999 CA LYS A 63 -11.623 5.054 1.392 1.00 11.97 C ATOM 1000 C LYS A 63 -11.101 6.063 2.355 1.00 10.41 C ATOM 1001 O LYS A 63 -11.505 6.095 3.516 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.666 5.880 0.620 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.001 6.291 1.245 1.00 16.98 C ATOM 1004 CD LYS A 63 -14.803 7.150 0.265 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.275 7.344 0.635 1.00 23.42 C ATOM 1006 NZ LYS A 63 -16.249 8.006 1.958 1.00 25.97 N ATOM 0 H LYS A 63 -13.206 3.772 1.760 1.00 11.73 H new ATOM 0 HA LYS A 63 -10.809 4.626 0.806 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -12.170 6.799 0.307 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -12.902 5.321 -0.285 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.573 5.403 1.514 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -13.824 6.847 2.166 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -14.330 8.129 0.191 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -14.749 6.694 -0.724 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -16.791 7.957 -0.104 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.800 6.390 0.680 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -17.197 8.371 2.182 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -15.961 7.319 2.684 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -15.571 8.794 1.939 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.180 6.908 1.857 1.00 10.04 N ATOM 1021 CA GLU A 64 -9.532 8.017 2.483 1.00 10.94 C ATOM 1022 C GLU A 64 -8.837 7.690 3.760 1.00 9.74 C ATOM 1023 O GLU A 64 -8.676 8.549 4.626 1.00 9.42 O ATOM 1024 CB GLU A 64 -10.416 9.273 2.565 1.00 18.31 C ATOM 1025 CG GLU A 64 -10.581 9.886 1.173 1.00 24.16 C ATOM 1026 CD GLU A 64 -11.174 11.287 1.199 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -10.744 12.213 1.939 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -12.177 11.402 0.445 1.00 32.61 O ATOM 0 H GLU A 64 -9.853 6.795 0.897 1.00 10.04 H new ATOM 0 HA GLU A 64 -8.721 8.275 1.802 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -11.392 9.015 2.976 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -9.967 10.001 3.241 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -9.609 9.919 0.681 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -11.221 9.239 0.572 1.00 24.16 H new ATOM 1035 N SER A 65 -8.419 6.415 3.840 1.00 6.85 N ATOM 1036 CA SER A 65 -7.473 5.952 4.808 1.00 6.90 C ATOM 1037 C SER A 65 -6.048 6.176 4.436 1.00 4.72 C ATOM 1038 O SER A 65 -5.704 6.237 3.257 1.00 3.91 O ATOM 1039 CB SER A 65 -7.489 4.414 4.812 1.00 7.28 C ATOM 1040 OG SER A 65 -8.750 3.794 5.019 1.00 10.56 O ATOM 0 H SER A 65 -8.749 5.683 3.212 1.00 6.85 H new ATOM 0 HA SER A 65 -7.755 6.473 5.723 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.090 4.066 3.859 1.00 7.28 H new ATOM 0 HB3 SER A 65 -6.807 4.068 5.589 1.00 7.28 H new ATOM 0 HG SER A 65 -9.184 3.639 4.154 1.00 10.56 H new ATOM 1046 N THR A 66 -5.117 6.224 5.405 1.00 4.48 N ATOM 1047 CA THR A 66 -3.740 6.542 5.187 1.00 3.80 C ATOM 1048 C THR A 66 -2.826 5.382 5.383 1.00 4.60 C ATOM 1049 O THR A 66 -2.557 5.029 6.530 1.00 5.33 O ATOM 1050 CB THR A 66 -3.281 7.715 6.003 1.00 2.85 C ATOM 1051 OG1 THR A 66 -4.063 8.851 5.666 1.00 2.15 O ATOM 1052 CG2 THR A 66 -1.870 8.252 5.709 1.00 3.40 C ATOM 0 H THR A 66 -5.333 6.033 6.383 1.00 4.48 H new ATOM 0 HA THR A 66 -3.685 6.821 4.135 1.00 3.80 H new ATOM 0 HB THR A 66 -3.345 7.330 7.021 1.00 2.85 H new ATOM 0 HG1 THR A 66 -3.769 9.620 6.197 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.659 9.098 6.364 1.00 3.40 H new ATOM 0 HG22 THR A 66 -1.137 7.465 5.885 1.00 3.40 H new ATOM 0 HG23 THR A 66 -1.813 8.575 4.669 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.463 4.665 4.305 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.589 3.533 4.293 1.00 3.85 C ATOM 1062 C LEU A 67 -0.152 3.927 4.332 1.00 3.80 C ATOM 1063 O LEU A 67 0.253 4.886 3.677 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.922 2.528 3.178 1.00 7.18 C ATOM 1065 CG LEU A 67 -3.214 1.704 3.308 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -4.526 2.479 3.098 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -3.109 0.485 2.377 1.00 8.12 C ATOM 0 H LEU A 67 -2.807 4.895 3.373 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.772 2.992 5.221 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.970 3.077 2.238 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -1.088 1.830 3.098 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.284 1.393 4.350 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -5.372 1.801 3.213 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -4.599 3.278 3.836 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -4.539 2.908 2.096 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -4.017 -0.112 2.456 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.985 0.823 1.348 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -2.250 -0.121 2.666 1.00 8.12 H new ATOM 1079 N HIS A 68 0.703 3.189 5.062 1.00 2.94 N ATOM 1080 CA HIS A 68 2.038 3.589 5.385 1.00 4.17 C ATOM 1081 C HIS A 68 3.095 2.709 4.811 1.00 5.32 C ATOM 1082 O HIS A 68 3.109 1.519 5.123 1.00 7.70 O ATOM 1083 CB HIS A 68 2.145 3.693 6.916 1.00 5.57 C ATOM 1084 CG HIS A 68 1.444 4.898 7.470 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.098 4.914 7.774 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.870 6.178 7.642 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.210 6.175 8.180 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.832 6.979 8.075 1.00 16.30 N ATOM 0 H HIS A 68 0.454 2.276 5.443 1.00 2.94 H new ATOM 0 HA HIS A 68 2.224 4.558 4.921 1.00 4.17 H new ATOM 0 HB2 HIS A 68 1.723 2.795 7.366 1.00 5.57 H new ATOM 0 HB3 HIS A 68 3.197 3.728 7.200 1.00 5.57 H new ATOM 0 HD2 HIS A 68 2.879 6.520 7.465 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -1.181 6.479 8.541 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.864 7.979 8.272 1.00 16.30 H new ATOM 1096 N LEU A 69 3.896 3.262 3.883 1.00 5.29 N ATOM 1097 CA LEU A 69 5.001 2.572 3.294 1.00 3.97 C ATOM 1098 C LEU A 69 6.295 2.655 4.029 1.00 5.07 C ATOM 1099 O LEU A 69 6.927 3.697 4.195 1.00 4.34 O ATOM 1100 CB LEU A 69 5.153 3.027 1.833 1.00 6.08 C ATOM 1101 CG LEU A 69 6.181 2.385 0.886 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.965 0.864 0.805 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.982 3.079 -0.472 1.00 6.87 C ATOM 0 H LEU A 69 3.772 4.212 3.533 1.00 5.29 H new ATOM 0 HA LEU A 69 4.754 1.512 3.351 1.00 3.97 H new ATOM 0 HB2 LEU A 69 4.176 2.911 1.363 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.370 4.095 1.856 1.00 6.08 H new ATOM 0 HG LEU A 69 7.205 2.516 1.235 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.701 0.427 0.130 1.00 9.96 H new ATOM 0 HD12 LEU A 69 6.078 0.427 1.797 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.962 0.658 0.430 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.685 2.669 -1.197 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.963 2.912 -0.820 1.00 6.87 H new ATOM 0 HD23 LEU A 69 6.157 4.149 -0.363 1.00 6.87 H new ATOM 1115 N VAL A 70 6.746 1.479 4.500 1.00 4.29 N ATOM 1116 CA VAL A 70 7.980 1.167 5.153 1.00 6.26 C ATOM 1117 C VAL A 70 8.809 0.389 4.190 1.00 9.22 C ATOM 1118 O VAL A 70 8.263 -0.260 3.298 1.00 9.36 O ATOM 1119 CB VAL A 70 7.846 0.630 6.547 1.00 8.69 C ATOM 1120 CG1 VAL A 70 6.987 1.542 7.438 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.160 -0.746 6.506 1.00 8.54 C ATOM 0 H VAL A 70 6.169 0.643 4.409 1.00 4.29 H new ATOM 0 HA VAL A 70 8.525 2.080 5.392 1.00 6.26 H new ATOM 0 HB VAL A 70 8.852 0.568 6.961 1.00 8.69 H new ATOM 0 HG11 VAL A 70 6.918 1.113 8.438 1.00 9.76 H new ATOM 0 HG12 VAL A 70 7.445 2.529 7.497 1.00 9.76 H new ATOM 0 HG13 VAL A 70 5.988 1.631 7.011 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.063 -1.135 7.520 1.00 8.54 H new ATOM 0 HG22 VAL A 70 6.171 -0.646 6.060 1.00 8.54 H new ATOM 0 HG23 VAL A 70 7.759 -1.434 5.909 1.00 8.54 H new ATOM 1131 N LEU A 71 10.142 0.400 4.367 1.00 12.71 N ATOM 1132 CA LEU A 71 10.968 -0.322 3.450 1.00 16.06 C ATOM 1133 C LEU A 71 11.715 -1.335 4.248 1.00 18.09 C ATOM 1134 O LEU A 71 11.587 -1.595 5.443 1.00 19.26 O ATOM 1135 CB LEU A 71 11.930 0.617 2.703 1.00 17.10 C ATOM 1136 CG LEU A 71 11.287 1.662 1.776 1.00 19.37 C ATOM 1137 CD1 LEU A 71 12.340 2.609 1.177 1.00 19.57 C ATOM 1138 CD2 LEU A 71 10.224 1.193 0.769 1.00 17.51 C ATOM 0 H LEU A 71 10.634 0.889 5.115 1.00 12.71 H new ATOM 0 HA LEU A 71 10.360 -0.805 2.685 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.536 1.143 3.441 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.610 0.006 2.109 1.00 17.10 H new ATOM 0 HG LEU A 71 10.653 2.230 2.457 1.00 19.37 H new ATOM 0 HD11 LEU A 71 11.850 3.334 0.527 1.00 19.57 H new ATOM 0 HD12 LEU A 71 12.857 3.133 1.981 1.00 19.57 H new ATOM 0 HD13 LEU A 71 13.061 2.032 0.598 1.00 19.57 H new ATOM 0 HD21 LEU A 71 9.869 2.046 0.191 1.00 17.51 H new ATOM 0 HD22 LEU A 71 10.661 0.455 0.096 1.00 17.51 H new ATOM 0 HD23 LEU A 71 9.388 0.745 1.305 1.00 17.51 H new