USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 132:sc= 0.155 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.192 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.448 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.482 K(o=0.93,f=0) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 151:sc= 1.22 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 131:sc= 0.976 USER MOD Single : A 1 MET CE :methyl -177:sc= -0.0425 (180deg=-0.0715) USER MOD Single : A 1 MET N :NH3+ 176:sc= 1.3 (180deg=1.18) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00014 USER MOD Single : A 9 THR OG1 : rot 119:sc= 0.306 USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= 1.18 (180deg=0.576) USER MOD Single : A 14 THR OG1 : rot -71:sc= 0.158 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= 1.19 (180deg=1.02) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= 0.591 (180deg=0.454) USER MOD Single : A 31 GLN : amide:sc= -0.569 X(o=-0.57,f=-0.83) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= 0.115 (180deg=-0.0958) USER MOD Single : A 40 GLN : amide:sc=-0.00386 X(o=-0.0039,f=-0.28) USER MOD Single : A 41 GLN : amide:sc= -0.8 K(o=-0.8,f=-4.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 59 TYR OH : rot 90:sc= 0.626 USER MOD Single : A 60 ASN : amide:sc= -0.054 X(o=-0.054,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.00266 K(o=-0.0027,f=-0.69) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 85:sc= 1.35 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.225 X(o=-0.23,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.638 2.495 -1.037 1.00 9.67 N ATOM 2 CA MET A 1 -14.204 3.079 0.252 1.00 10.38 C ATOM 3 C MET A 1 -12.901 3.799 0.194 1.00 9.62 C ATOM 4 O MET A 1 -12.259 3.782 -0.856 1.00 9.62 O ATOM 5 CB MET A 1 -14.239 1.912 1.253 1.00 13.77 C ATOM 6 CG MET A 1 -13.012 1.008 1.118 1.00 16.29 C ATOM 7 SD MET A 1 -12.956 -0.367 2.306 1.00 17.17 S ATOM 8 CE MET A 1 -11.409 -0.872 1.499 1.00 16.11 C ATOM 0 H1 MET A 1 -15.516 1.956 -0.896 1.00 9.67 H new ATOM 0 H2 MET A 1 -14.806 3.257 -1.724 1.00 9.67 H new ATOM 0 H3 MET A 1 -13.897 1.861 -1.398 1.00 9.67 H new ATOM 0 HA MET A 1 -14.873 3.882 0.562 1.00 10.38 H new ATOM 0 HB2 MET A 1 -14.290 2.306 2.268 1.00 13.77 H new ATOM 0 HB3 MET A 1 -15.143 1.324 1.094 1.00 13.77 H new ATOM 0 HG2 MET A 1 -12.986 0.600 0.108 1.00 16.29 H new ATOM 0 HG3 MET A 1 -12.114 1.614 1.240 1.00 16.29 H new ATOM 0 HE1 MET A 1 -11.048 -1.796 1.950 1.00 16.11 H new ATOM 0 HE2 MET A 1 -11.589 -1.033 0.436 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.660 -0.090 1.626 1.00 16.11 H new ATOM 20 N GLN A 2 -12.466 4.369 1.332 1.00 9.27 N ATOM 21 CA GLN A 2 -11.226 5.073 1.443 1.00 9.07 C ATOM 22 C GLN A 2 -10.162 4.404 2.244 1.00 8.72 C ATOM 23 O GLN A 2 -10.427 3.742 3.246 1.00 8.22 O ATOM 24 CB GLN A 2 -11.488 6.517 1.901 1.00 14.46 C ATOM 25 CG GLN A 2 -12.299 7.265 0.840 1.00 17.01 C ATOM 26 CD GLN A 2 -12.614 8.645 1.399 1.00 20.10 C ATOM 27 OE1 GLN A 2 -11.882 9.154 2.246 1.00 21.89 O ATOM 28 NE2 GLN A 2 -13.736 9.256 0.932 1.00 19.49 N ATOM 0 H GLN A 2 -12.995 4.339 2.204 1.00 9.27 H new ATOM 0 HA GLN A 2 -10.798 5.075 0.441 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -12.028 6.514 2.848 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -10.542 7.029 2.075 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -11.734 7.347 -0.088 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -13.217 6.726 0.608 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -14.313 8.795 0.229 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -14.001 10.176 1.285 1.00 19.49 H new ATOM 37 N ILE A 3 -8.862 4.592 1.954 1.00 5.87 N ATOM 38 CA ILE A 3 -7.761 4.292 2.815 1.00 5.07 C ATOM 39 C ILE A 3 -6.776 5.409 2.880 1.00 4.01 C ATOM 40 O ILE A 3 -6.698 6.225 1.964 1.00 4.61 O ATOM 41 CB ILE A 3 -7.034 3.015 2.515 1.00 6.55 C ATOM 42 CG1 ILE A 3 -6.542 3.011 1.057 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.879 1.760 2.791 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.719 1.842 0.518 1.00 10.83 C ATOM 0 H ILE A 3 -8.562 4.979 1.059 1.00 5.87 H new ATOM 0 HA ILE A 3 -8.240 4.154 3.784 1.00 5.07 H new ATOM 0 HB ILE A 3 -6.181 2.976 3.193 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -7.422 3.105 0.421 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.948 3.914 0.916 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.296 0.870 2.554 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.164 1.738 3.843 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.776 1.782 2.172 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -5.468 2.025 -0.527 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.802 1.744 1.099 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -6.299 0.922 0.597 1.00 10.83 H new ATOM 56 N PHE A 4 -6.045 5.349 4.007 1.00 4.55 N ATOM 57 CA PHE A 4 -5.027 6.314 4.289 1.00 4.68 C ATOM 58 C PHE A 4 -3.724 5.605 4.149 1.00 5.30 C ATOM 59 O PHE A 4 -3.483 4.458 4.523 1.00 5.58 O ATOM 60 CB PHE A 4 -5.211 6.807 5.734 1.00 4.83 C ATOM 61 CG PHE A 4 -6.499 7.540 5.889 1.00 7.97 C ATOM 62 CD1 PHE A 4 -6.728 8.636 5.091 1.00 6.69 C ATOM 63 CD2 PHE A 4 -7.339 7.280 6.946 1.00 8.34 C ATOM 64 CE1 PHE A 4 -7.812 9.451 5.318 1.00 9.10 C ATOM 65 CE2 PHE A 4 -8.360 8.153 7.239 1.00 10.61 C ATOM 66 CZ PHE A 4 -8.663 9.165 6.360 1.00 8.90 C ATOM 0 H PHE A 4 -6.158 4.632 4.724 1.00 4.55 H new ATOM 0 HA PHE A 4 -5.072 7.172 3.618 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -5.187 5.958 6.417 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -4.382 7.460 6.008 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -6.051 8.859 4.279 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -7.197 6.392 7.545 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -7.993 10.307 4.685 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -8.921 8.044 8.155 1.00 10.61 H new ATOM 0 HZ PHE A 4 -9.570 9.736 6.488 1.00 8.90 H new ATOM 76 N VAL A 5 -2.783 6.218 3.410 1.00 4.44 N ATOM 77 CA VAL A 5 -1.511 5.633 3.120 1.00 3.87 C ATOM 78 C VAL A 5 -0.487 6.697 3.319 1.00 4.93 C ATOM 79 O VAL A 5 -0.516 7.833 2.848 1.00 6.84 O ATOM 80 CB VAL A 5 -1.275 5.191 1.706 1.00 2.99 C ATOM 81 CG1 VAL A 5 0.063 4.463 1.494 1.00 5.28 C ATOM 82 CG2 VAL A 5 -2.431 4.233 1.372 1.00 9.13 C ATOM 0 H VAL A 5 -2.910 7.145 3.003 1.00 4.44 H new ATOM 0 HA VAL A 5 -1.463 4.754 3.763 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.232 6.069 1.062 1.00 2.99 H new ATOM 0 HG11 VAL A 5 0.159 4.176 0.447 1.00 5.28 H new ATOM 0 HG12 VAL A 5 0.885 5.126 1.765 1.00 5.28 H new ATOM 0 HG13 VAL A 5 0.095 3.571 2.119 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -2.320 3.871 0.350 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -2.413 3.388 2.060 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -3.380 4.760 1.469 1.00 9.13 H new ATOM 92 N LYS A 6 0.570 6.323 4.061 1.00 6.04 N ATOM 93 CA LYS A 6 1.611 7.265 4.333 1.00 6.12 C ATOM 94 C LYS A 6 2.790 6.975 3.470 1.00 6.57 C ATOM 95 O LYS A 6 3.078 5.820 3.158 1.00 5.76 O ATOM 96 CB LYS A 6 1.929 7.134 5.832 1.00 7.45 C ATOM 97 CG LYS A 6 0.846 7.900 6.595 1.00 11.12 C ATOM 98 CD LYS A 6 0.981 7.808 8.116 1.00 14.54 C ATOM 99 CE LYS A 6 0.731 9.173 8.761 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.703 9.516 8.890 1.00 20.55 N ATOM 0 H LYS A 6 0.704 5.395 4.463 1.00 6.04 H new ATOM 0 HA LYS A 6 1.316 8.290 4.109 1.00 6.12 H new ATOM 0 HB2 LYS A 6 1.942 6.086 6.132 1.00 7.45 H new ATOM 0 HB3 LYS A 6 2.916 7.541 6.053 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.879 8.949 6.299 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.132 7.517 6.302 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.271 7.079 8.506 1.00 14.54 H new ATOM 0 HD3 LYS A 6 1.978 7.453 8.377 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.189 9.187 9.750 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.228 9.941 8.168 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.838 10.140 9.711 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.022 10.003 8.028 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.258 8.646 9.021 1.00 20.55 H new ATOM 114 N THR A 7 3.543 8.010 3.058 1.00 7.41 N ATOM 115 CA THR A 7 4.787 7.902 2.362 1.00 7.48 C ATOM 116 C THR A 7 5.876 7.745 3.367 1.00 8.75 C ATOM 117 O THR A 7 5.669 7.646 4.576 1.00 8.58 O ATOM 118 CB THR A 7 5.040 8.995 1.366 1.00 9.61 C ATOM 119 OG1 THR A 7 4.886 10.246 2.022 1.00 11.78 O ATOM 120 CG2 THR A 7 3.947 8.986 0.285 1.00 9.17 C ATOM 0 H THR A 7 3.267 8.978 3.220 1.00 7.41 H new ATOM 0 HA THR A 7 4.750 7.015 1.730 1.00 7.48 H new ATOM 0 HB THR A 7 6.033 8.848 0.941 1.00 9.61 H new ATOM 0 HG1 THR A 7 5.050 10.972 1.384 1.00 11.78 H new ATOM 0 HG21 THR A 7 4.139 9.783 -0.433 1.00 9.17 H new ATOM 0 HG22 THR A 7 3.952 8.025 -0.229 1.00 9.17 H new ATOM 0 HG23 THR A 7 2.974 9.144 0.750 1.00 9.17 H new ATOM 128 N LEU A 8 7.104 7.672 2.825 1.00 9.84 N ATOM 129 CA LEU A 8 8.341 7.663 3.542 1.00 14.15 C ATOM 130 C LEU A 8 8.557 8.883 4.368 1.00 17.37 C ATOM 131 O LEU A 8 8.867 8.742 5.550 1.00 17.01 O ATOM 132 CB LEU A 8 9.568 7.511 2.627 1.00 16.63 C ATOM 133 CG LEU A 8 10.826 7.024 3.366 1.00 18.88 C ATOM 134 CD1 LEU A 8 10.672 5.639 4.016 1.00 18.59 C ATOM 135 CD2 LEU A 8 12.008 6.910 2.389 1.00 19.31 C ATOM 0 H LEU A 8 7.241 7.615 1.816 1.00 9.84 H new ATOM 0 HA LEU A 8 8.248 6.792 4.191 1.00 14.15 H new ATOM 0 HB2 LEU A 8 9.331 6.809 1.828 1.00 16.63 H new ATOM 0 HB3 LEU A 8 9.781 8.470 2.156 1.00 16.63 H new ATOM 0 HG LEU A 8 10.994 7.766 4.147 1.00 18.88 H new ATOM 0 HD11 LEU A 8 11.601 5.367 4.517 1.00 18.59 H new ATOM 0 HD12 LEU A 8 9.862 5.667 4.745 1.00 18.59 H new ATOM 0 HD13 LEU A 8 10.444 4.900 3.248 1.00 18.59 H new ATOM 0 HD21 LEU A 8 12.892 6.564 2.926 1.00 19.31 H new ATOM 0 HD22 LEU A 8 11.761 6.199 1.601 1.00 19.31 H new ATOM 0 HD23 LEU A 8 12.210 7.886 1.947 1.00 19.31 H new ATOM 147 N THR A 9 8.369 10.132 3.904 1.00 18.33 N ATOM 148 CA THR A 9 8.745 11.266 4.688 1.00 19.24 C ATOM 149 C THR A 9 7.622 11.793 5.513 1.00 19.48 C ATOM 150 O THR A 9 7.529 11.466 6.695 1.00 23.14 O ATOM 151 CB THR A 9 9.254 12.307 3.735 1.00 18.97 C ATOM 152 OG1 THR A 9 8.277 12.632 2.757 1.00 20.24 O ATOM 153 CG2 THR A 9 10.440 11.762 2.923 1.00 19.70 C ATOM 0 H THR A 9 7.961 10.355 2.996 1.00 18.33 H new ATOM 0 HA THR A 9 9.515 10.977 5.404 1.00 19.24 H new ATOM 0 HB THR A 9 9.523 13.168 4.346 1.00 18.97 H new ATOM 0 HG1 THR A 9 8.045 13.582 2.829 1.00 20.24 H new ATOM 0 HG21 THR A 9 10.796 12.531 2.237 1.00 19.70 H new ATOM 0 HG22 THR A 9 11.246 11.479 3.601 1.00 19.70 H new ATOM 0 HG23 THR A 9 10.121 10.888 2.354 1.00 19.70 H new ATOM 161 N GLY A 10 6.677 12.574 4.958 1.00 19.43 N ATOM 162 CA GLY A 10 5.573 13.197 5.620 1.00 18.74 C ATOM 163 C GLY A 10 4.423 13.545 4.740 1.00 17.62 C ATOM 164 O GLY A 10 4.182 14.718 4.457 1.00 19.74 O ATOM 0 H GLY A 10 6.689 12.786 3.960 1.00 19.43 H new ATOM 0 HA2 GLY A 10 5.219 12.532 6.408 1.00 18.74 H new ATOM 0 HA3 GLY A 10 5.927 14.106 6.106 1.00 18.74 H new ATOM 168 N LYS A 11 3.780 12.524 4.145 1.00 13.56 N ATOM 169 CA LYS A 11 2.569 12.744 3.417 1.00 11.91 C ATOM 170 C LYS A 11 1.600 11.636 3.653 1.00 10.18 C ATOM 171 O LYS A 11 1.882 10.443 3.559 1.00 9.10 O ATOM 172 CB LYS A 11 2.870 13.087 1.949 1.00 13.43 C ATOM 173 CG LYS A 11 1.676 13.653 1.177 1.00 16.69 C ATOM 174 CD LYS A 11 2.189 14.007 -0.220 1.00 17.92 C ATOM 175 CE LYS A 11 1.061 14.353 -1.195 1.00 20.81 C ATOM 176 NZ LYS A 11 1.533 14.363 -2.597 1.00 21.93 N ATOM 0 H LYS A 11 4.095 11.554 4.167 1.00 13.56 H new ATOM 0 HA LYS A 11 2.054 13.628 3.794 1.00 11.91 H new ATOM 0 HB2 LYS A 11 3.685 13.811 1.917 1.00 13.43 H new ATOM 0 HB3 LYS A 11 3.222 12.188 1.443 1.00 13.43 H new ATOM 0 HG2 LYS A 11 0.869 12.922 1.120 1.00 16.69 H new ATOM 0 HG3 LYS A 11 1.273 14.534 1.677 1.00 16.69 H new ATOM 0 HD2 LYS A 11 2.873 14.853 -0.148 1.00 17.92 H new ATOM 0 HD3 LYS A 11 2.761 13.168 -0.616 1.00 17.92 H new ATOM 0 HE2 LYS A 11 0.253 13.629 -1.088 1.00 20.81 H new ATOM 0 HE3 LYS A 11 0.649 15.330 -0.943 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 0.716 14.313 -3.239 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 2.063 15.239 -2.779 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 2.153 13.544 -2.761 1.00 21.93 H new ATOM 190 N THR A 12 0.341 11.945 4.011 1.00 9.63 N ATOM 191 CA THR A 12 -0.704 10.996 4.239 1.00 9.85 C ATOM 192 C THR A 12 -1.642 11.216 3.102 1.00 11.66 C ATOM 193 O THR A 12 -2.333 12.229 3.006 1.00 12.33 O ATOM 194 CB THR A 12 -1.539 11.070 5.483 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.644 10.928 6.575 1.00 10.91 O ATOM 196 CG2 THR A 12 -2.600 9.957 5.518 1.00 9.63 C ATOM 0 H THR A 12 0.036 12.909 4.149 1.00 9.63 H new ATOM 0 HA THR A 12 -0.197 10.037 4.343 1.00 9.85 H new ATOM 0 HB THR A 12 -2.078 12.016 5.523 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.813 11.637 7.231 1.00 10.91 H new ATOM 0 HG21 THR A 12 -3.186 10.042 6.433 1.00 9.63 H new ATOM 0 HG22 THR A 12 -3.259 10.055 4.655 1.00 9.63 H new ATOM 0 HG23 THR A 12 -2.108 8.985 5.491 1.00 9.63 H new ATOM 204 N ILE A 13 -1.714 10.252 2.166 1.00 10.42 N ATOM 205 CA ILE A 13 -2.558 10.232 1.011 1.00 11.84 C ATOM 206 C ILE A 13 -3.777 9.405 1.234 1.00 10.55 C ATOM 207 O ILE A 13 -3.797 8.352 1.870 1.00 11.92 O ATOM 208 CB ILE A 13 -1.792 9.877 -0.228 1.00 14.86 C ATOM 209 CG1 ILE A 13 -1.722 8.356 -0.443 1.00 14.87 C ATOM 210 CG2 ILE A 13 -0.510 10.718 -0.349 1.00 17.08 C ATOM 211 CD1 ILE A 13 -1.223 7.939 -1.825 1.00 16.46 C ATOM 0 H ILE A 13 -1.132 9.417 2.224 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.926 11.244 0.841 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.334 10.180 -1.124 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -1.066 7.924 0.313 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -2.714 7.932 -0.285 1.00 14.87 H new ATOM 0 HG21 ILE A 13 0.024 10.438 -1.257 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.771 11.775 -0.393 1.00 17.08 H new ATOM 0 HG23 ILE A 13 0.127 10.537 0.517 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -1.204 6.851 -1.892 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -1.891 8.338 -2.589 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -0.218 8.329 -1.982 1.00 16.46 H new ATOM 223 N THR A 14 -4.915 9.859 0.680 1.00 9.39 N ATOM 224 CA THR A 14 -6.181 9.208 0.817 1.00 9.63 C ATOM 225 C THR A 14 -6.666 8.716 -0.503 1.00 11.20 C ATOM 226 O THR A 14 -6.818 9.509 -1.431 1.00 11.63 O ATOM 227 CB THR A 14 -7.304 10.128 1.194 1.00 10.38 C ATOM 228 OG1 THR A 14 -6.962 10.934 2.312 1.00 16.30 O ATOM 229 CG2 THR A 14 -8.532 9.339 1.678 1.00 11.66 C ATOM 0 H THR A 14 -4.956 10.709 0.117 1.00 9.39 H new ATOM 0 HA THR A 14 -5.986 8.446 1.571 1.00 9.63 H new ATOM 0 HB THR A 14 -7.505 10.716 0.299 1.00 10.38 H new ATOM 0 HG1 THR A 14 -6.929 10.378 3.118 1.00 16.30 H new ATOM 0 HG21 THR A 14 -9.329 10.033 1.944 1.00 11.66 H new ATOM 0 HG22 THR A 14 -8.877 8.678 0.882 1.00 11.66 H new ATOM 0 HG23 THR A 14 -8.262 8.745 2.551 1.00 11.66 H new ATOM 237 N LEU A 15 -6.724 7.382 -0.665 1.00 8.29 N ATOM 238 CA LEU A 15 -7.009 6.713 -1.897 1.00 9.03 C ATOM 239 C LEU A 15 -8.418 6.235 -1.816 1.00 8.59 C ATOM 240 O LEU A 15 -8.966 5.883 -0.773 1.00 7.79 O ATOM 241 CB LEU A 15 -6.120 5.464 -2.009 1.00 11.08 C ATOM 242 CG LEU A 15 -4.618 5.751 -2.177 1.00 15.79 C ATOM 243 CD1 LEU A 15 -3.815 4.440 -2.152 1.00 15.27 C ATOM 244 CD2 LEU A 15 -4.314 6.406 -3.534 1.00 15.88 C ATOM 0 H LEU A 15 -6.563 6.735 0.107 1.00 8.29 H new ATOM 0 HA LEU A 15 -6.840 7.381 -2.742 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -6.261 4.854 -1.116 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -6.459 4.870 -2.858 1.00 11.08 H new ATOM 0 HG LEU A 15 -4.341 6.414 -1.358 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -2.754 4.661 -2.272 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -3.975 3.934 -1.200 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -4.146 3.795 -2.966 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -3.243 6.593 -3.616 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -4.628 5.740 -4.338 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -4.855 7.349 -3.612 1.00 15.88 H new ATOM 256 N GLU A 16 -9.059 6.052 -2.984 1.00 11.04 N ATOM 257 CA GLU A 16 -10.284 5.331 -3.139 1.00 11.50 C ATOM 258 C GLU A 16 -10.054 3.970 -3.698 1.00 10.13 C ATOM 259 O GLU A 16 -9.490 3.731 -4.765 1.00 9.83 O ATOM 260 CB GLU A 16 -11.325 6.117 -3.955 1.00 17.22 C ATOM 261 CG GLU A 16 -11.851 7.332 -3.188 1.00 23.33 C ATOM 262 CD GLU A 16 -12.891 8.078 -4.011 1.00 26.99 C ATOM 263 OE1 GLU A 16 -12.855 7.962 -5.265 1.00 28.90 O ATOM 264 OE2 GLU A 16 -13.723 8.834 -3.442 1.00 28.86 O ATOM 0 H GLU A 16 -8.705 6.426 -3.864 1.00 11.04 H new ATOM 0 HA GLU A 16 -10.703 5.204 -2.141 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -10.878 6.445 -4.893 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -12.157 5.461 -4.211 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -12.290 7.010 -2.244 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -11.025 8.000 -2.944 1.00 23.33 H new ATOM 271 N VAL A 17 -10.504 2.977 -2.910 1.00 8.99 N ATOM 272 CA VAL A 17 -10.276 1.612 -3.270 1.00 8.85 C ATOM 273 C VAL A 17 -11.602 0.975 -3.034 1.00 8.04 C ATOM 274 O VAL A 17 -12.479 1.460 -2.321 1.00 8.99 O ATOM 275 CB VAL A 17 -9.227 0.967 -2.414 1.00 9.78 C ATOM 276 CG1 VAL A 17 -7.868 1.517 -2.879 1.00 12.05 C ATOM 277 CG2 VAL A 17 -9.346 1.312 -0.920 1.00 10.54 C ATOM 0 H VAL A 17 -11.017 3.115 -2.039 1.00 8.99 H new ATOM 0 HA VAL A 17 -9.911 1.511 -4.292 1.00 8.85 H new ATOM 0 HB VAL A 17 -9.341 -0.112 -2.519 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -7.072 1.073 -2.281 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -7.715 1.268 -3.929 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -7.853 2.600 -2.757 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -8.553 0.809 -0.366 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -9.254 2.390 -0.787 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -10.315 0.982 -0.547 1.00 10.54 H new ATOM 287 N GLU A 18 -11.730 -0.237 -3.601 1.00 7.29 N ATOM 288 CA GLU A 18 -12.771 -1.157 -3.262 1.00 7.08 C ATOM 289 C GLU A 18 -12.163 -2.422 -2.761 1.00 6.45 C ATOM 290 O GLU A 18 -11.025 -2.663 -3.159 1.00 5.28 O ATOM 291 CB GLU A 18 -13.660 -1.438 -4.485 1.00 10.28 C ATOM 292 CG GLU A 18 -14.131 -0.155 -5.175 1.00 12.65 C ATOM 293 CD GLU A 18 -14.961 -0.402 -6.427 1.00 14.15 C ATOM 294 OE1 GLU A 18 -14.652 -1.377 -7.163 1.00 14.33 O ATOM 295 OE2 GLU A 18 -16.015 0.267 -6.598 1.00 18.17 O ATOM 0 H GLU A 18 -11.092 -0.588 -4.315 1.00 7.29 H new ATOM 0 HA GLU A 18 -13.396 -0.722 -2.482 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -13.108 -2.049 -5.199 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -14.528 -2.019 -4.173 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -14.720 0.431 -4.469 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -13.260 0.445 -5.440 1.00 12.65 H new ATOM 302 N PRO A 19 -12.743 -3.245 -1.938 1.00 7.24 N ATOM 303 CA PRO A 19 -12.111 -4.383 -1.335 1.00 7.07 C ATOM 304 C PRO A 19 -11.748 -5.490 -2.264 1.00 6.65 C ATOM 305 O PRO A 19 -10.966 -6.352 -1.865 1.00 6.37 O ATOM 306 CB PRO A 19 -13.022 -4.982 -0.266 1.00 7.61 C ATOM 307 CG PRO A 19 -14.377 -4.392 -0.691 1.00 8.16 C ATOM 308 CD PRO A 19 -14.085 -3.064 -1.406 1.00 7.49 C ATOM 0 HA PRO A 19 -11.181 -3.982 -0.932 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.021 -6.072 -0.283 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.735 -4.679 0.741 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.906 -5.078 -1.353 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -15.016 -4.230 0.177 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -14.807 -2.869 -2.199 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -14.132 -2.220 -0.718 1.00 7.49 H new ATOM 316 N SER A 20 -12.272 -5.482 -3.503 1.00 6.80 N ATOM 317 CA SER A 20 -11.893 -6.255 -4.645 1.00 6.28 C ATOM 318 C SER A 20 -10.699 -5.781 -5.398 1.00 8.45 C ATOM 319 O SER A 20 -10.215 -6.436 -6.320 1.00 7.26 O ATOM 320 CB SER A 20 -13.080 -6.064 -5.604 1.00 8.57 C ATOM 321 OG SER A 20 -14.227 -6.669 -5.025 1.00 11.13 O ATOM 0 H SER A 20 -13.050 -4.861 -3.726 1.00 6.80 H new ATOM 0 HA SER A 20 -11.652 -7.263 -4.306 1.00 6.28 H new ATOM 0 HB2 SER A 20 -13.259 -5.003 -5.779 1.00 8.57 H new ATOM 0 HB3 SER A 20 -12.862 -6.515 -6.572 1.00 8.57 H new ATOM 0 HG SER A 20 -14.994 -6.555 -5.624 1.00 11.13 H new ATOM 327 N ASP A 21 -10.078 -4.653 -5.010 1.00 7.50 N ATOM 328 CA ASP A 21 -8.849 -4.111 -5.501 1.00 7.70 C ATOM 329 C ASP A 21 -7.831 -5.014 -4.894 1.00 7.08 C ATOM 330 O ASP A 21 -7.799 -5.189 -3.677 1.00 8.11 O ATOM 331 CB ASP A 21 -8.559 -2.618 -5.274 1.00 11.00 C ATOM 332 CG ASP A 21 -9.639 -1.868 -6.040 1.00 15.32 C ATOM 333 OD1 ASP A 21 -10.067 -2.305 -7.142 1.00 14.36 O ATOM 334 OD2 ASP A 21 -9.948 -0.718 -5.628 1.00 18.03 O ATOM 0 H ASP A 21 -10.478 -4.064 -4.280 1.00 7.50 H new ATOM 0 HA ASP A 21 -8.864 -4.094 -6.591 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -8.588 -2.370 -4.213 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -7.566 -2.352 -5.636 1.00 11.00 H new ATOM 339 N THR A 22 -6.888 -5.457 -5.746 1.00 5.37 N ATOM 340 CA THR A 22 -5.632 -6.080 -5.465 1.00 6.01 C ATOM 341 C THR A 22 -4.700 -4.989 -5.063 1.00 8.01 C ATOM 342 O THR A 22 -4.767 -3.868 -5.565 1.00 8.11 O ATOM 343 CB THR A 22 -4.986 -6.928 -6.520 1.00 8.92 C ATOM 344 OG1 THR A 22 -4.975 -6.182 -7.729 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.868 -8.173 -6.715 1.00 9.65 C ATOM 0 H THR A 22 -7.028 -5.365 -6.752 1.00 5.37 H new ATOM 0 HA THR A 22 -5.850 -6.818 -4.693 1.00 6.01 H new ATOM 0 HB THR A 22 -3.972 -7.214 -6.241 1.00 8.92 H new ATOM 0 HG1 THR A 22 -4.556 -6.713 -8.438 1.00 10.22 H new ATOM 0 HG21 THR A 22 -5.428 -8.815 -7.478 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.937 -8.721 -5.775 1.00 9.65 H new ATOM 0 HG23 THR A 22 -6.865 -7.867 -7.030 1.00 9.65 H new ATOM 353 N ILE A 23 -3.679 -5.357 -4.268 1.00 8.32 N ATOM 354 CA ILE A 23 -2.695 -4.414 -3.835 1.00 9.92 C ATOM 355 C ILE A 23 -1.855 -3.987 -4.989 1.00 10.01 C ATOM 356 O ILE A 23 -1.395 -2.846 -4.990 1.00 8.71 O ATOM 357 CB ILE A 23 -1.777 -4.978 -2.791 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.603 -5.507 -1.607 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.656 -4.081 -2.241 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.493 -4.482 -0.904 1.00 12.30 C ATOM 0 H ILE A 23 -3.535 -6.307 -3.925 1.00 8.32 H new ATOM 0 HA ILE A 23 -3.242 -3.574 -3.407 1.00 9.92 H new ATOM 0 HB ILE A 23 -1.245 -5.757 -3.338 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.232 -6.322 -1.963 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.919 -5.930 -0.872 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.081 -4.632 -1.497 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.001 -3.779 -3.056 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -1.092 -3.195 -1.779 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.028 -4.965 -0.086 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.876 -3.676 -0.508 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -4.210 -4.074 -1.616 1.00 12.30 H new ATOM 372 N GLU A 24 -1.647 -4.795 -6.045 1.00 9.54 N ATOM 373 CA GLU A 24 -1.151 -4.341 -7.307 1.00 11.81 C ATOM 374 C GLU A 24 -1.895 -3.177 -7.864 1.00 11.14 C ATOM 375 O GLU A 24 -1.251 -2.260 -8.372 1.00 10.62 O ATOM 376 CB GLU A 24 -1.254 -5.501 -8.311 1.00 19.24 C ATOM 377 CG GLU A 24 -0.467 -5.258 -9.601 1.00 27.76 C ATOM 378 CD GLU A 24 -0.569 -6.571 -10.363 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.720 -6.994 -10.654 1.00 36.51 O ATOM 380 OE2 GLU A 24 0.534 -7.056 -10.729 1.00 34.80 O ATOM 0 H GLU A 24 -1.830 -5.798 -6.019 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.124 -4.014 -7.145 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.891 -6.414 -7.839 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -2.303 -5.665 -8.559 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.890 -4.433 -10.174 1.00 27.76 H new ATOM 0 HG3 GLU A 24 0.571 -5.001 -9.390 1.00 27.76 H new ATOM 387 N ASN A 25 -3.238 -3.132 -7.818 1.00 9.43 N ATOM 388 CA ASN A 25 -3.966 -1.966 -8.213 1.00 10.96 C ATOM 389 C ASN A 25 -3.814 -0.831 -7.261 1.00 9.68 C ATOM 390 O ASN A 25 -3.696 0.325 -7.666 1.00 9.33 O ATOM 391 CB ASN A 25 -5.477 -2.172 -8.414 1.00 16.78 C ATOM 392 CG ASN A 25 -5.763 -2.843 -9.750 1.00 22.31 C ATOM 393 OD1 ASN A 25 -6.300 -2.317 -10.723 1.00 25.66 O ATOM 394 ND2 ASN A 25 -5.434 -4.162 -9.782 1.00 24.70 N ATOM 0 H ASN A 25 -3.823 -3.907 -7.506 1.00 9.43 H new ATOM 0 HA ASN A 25 -3.510 -1.736 -9.176 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -5.875 -2.783 -7.604 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -5.988 -1.210 -8.369 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -5.633 -4.717 -10.614 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -4.989 -4.596 -8.974 1.00 24.70 H new ATOM 401 N VAL A 26 -3.682 -1.109 -5.951 1.00 6.52 N ATOM 402 CA VAL A 26 -3.451 -0.110 -4.955 1.00 5.53 C ATOM 403 C VAL A 26 -2.140 0.551 -5.209 1.00 4.42 C ATOM 404 O VAL A 26 -1.984 1.771 -5.181 1.00 3.40 O ATOM 405 CB VAL A 26 -3.537 -0.605 -3.542 1.00 3.86 C ATOM 406 CG1 VAL A 26 -3.268 0.527 -2.536 1.00 7.25 C ATOM 407 CG2 VAL A 26 -4.929 -1.235 -3.368 1.00 8.12 C ATOM 0 H VAL A 26 -3.738 -2.055 -5.575 1.00 6.52 H new ATOM 0 HA VAL A 26 -4.264 0.610 -5.047 1.00 5.53 H new ATOM 0 HB VAL A 26 -2.770 -1.353 -3.342 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -3.338 0.136 -1.521 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -2.269 0.931 -2.701 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -4.006 1.317 -2.672 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -5.034 -1.610 -2.350 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -5.695 -0.483 -3.559 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -5.046 -2.059 -4.072 1.00 8.12 H new ATOM 417 N LYS A 27 -1.089 -0.193 -5.598 1.00 2.64 N ATOM 418 CA LYS A 27 0.211 0.331 -5.885 1.00 4.14 C ATOM 419 C LYS A 27 0.274 1.154 -7.125 1.00 5.58 C ATOM 420 O LYS A 27 1.016 2.118 -7.308 1.00 4.11 O ATOM 421 CB LYS A 27 1.220 -0.821 -6.031 1.00 3.97 C ATOM 422 CG LYS A 27 1.458 -1.627 -4.753 1.00 7.45 C ATOM 423 CD LYS A 27 2.261 -2.906 -4.998 1.00 9.02 C ATOM 424 CE LYS A 27 3.673 -2.702 -5.552 1.00 12.90 C ATOM 425 NZ LYS A 27 4.277 -4.045 -5.705 1.00 15.47 N ATOM 0 H LYS A 27 -1.148 -1.204 -5.718 1.00 2.64 H new ATOM 0 HA LYS A 27 0.454 0.981 -5.045 1.00 4.14 H new ATOM 0 HB2 LYS A 27 0.869 -1.497 -6.811 1.00 3.97 H new ATOM 0 HB3 LYS A 27 2.172 -0.412 -6.369 1.00 3.97 H new ATOM 0 HG2 LYS A 27 1.986 -1.005 -4.030 1.00 7.45 H new ATOM 0 HG3 LYS A 27 0.497 -1.887 -4.309 1.00 7.45 H new ATOM 0 HD2 LYS A 27 2.334 -3.454 -4.059 1.00 9.02 H new ATOM 0 HD3 LYS A 27 1.705 -3.536 -5.692 1.00 9.02 H new ATOM 0 HE2 LYS A 27 3.640 -2.183 -6.510 1.00 12.90 H new ATOM 0 HE3 LYS A 27 4.267 -2.087 -4.876 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 5.093 -3.987 -6.347 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 4.590 -4.393 -4.776 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 3.572 -4.700 -6.100 1.00 15.47 H new ATOM 439 N ALA A 28 -0.514 0.761 -8.142 1.00 6.61 N ATOM 440 CA ALA A 28 -0.765 1.474 -9.356 1.00 7.74 C ATOM 441 C ALA A 28 -1.504 2.748 -9.128 1.00 9.17 C ATOM 442 O ALA A 28 -1.252 3.751 -9.794 1.00 11.45 O ATOM 443 CB ALA A 28 -1.605 0.642 -10.339 1.00 7.68 C ATOM 0 H ALA A 28 -1.015 -0.127 -8.111 1.00 6.61 H new ATOM 0 HA ALA A 28 0.222 1.684 -9.769 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.775 1.217 -11.249 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.073 -0.277 -10.584 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -2.563 0.396 -9.881 1.00 7.68 H new ATOM 449 N LYS A 29 -2.409 2.807 -8.134 1.00 8.96 N ATOM 450 CA LYS A 29 -3.130 4.024 -7.926 1.00 7.90 C ATOM 451 C LYS A 29 -2.190 5.041 -7.377 1.00 6.92 C ATOM 452 O LYS A 29 -2.206 6.234 -7.676 1.00 6.87 O ATOM 453 CB LYS A 29 -4.226 3.837 -6.864 1.00 10.28 C ATOM 454 CG LYS A 29 -5.550 3.263 -7.373 1.00 14.94 C ATOM 455 CD LYS A 29 -6.319 2.625 -6.214 1.00 19.69 C ATOM 456 CE LYS A 29 -7.533 1.802 -6.650 1.00 22.63 C ATOM 457 NZ LYS A 29 -8.579 2.605 -7.322 1.00 24.98 N ATOM 0 H LYS A 29 -2.636 2.044 -7.496 1.00 8.96 H new ATOM 0 HA LYS A 29 -3.570 4.326 -8.877 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -3.842 3.180 -6.084 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -4.424 4.803 -6.399 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -6.148 4.053 -7.827 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -5.361 2.520 -8.148 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -5.641 1.983 -5.651 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -6.651 3.411 -5.535 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -7.203 1.012 -7.324 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -7.965 1.315 -5.776 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -9.243 1.971 -7.811 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -9.094 3.166 -6.614 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -8.136 3.243 -8.014 1.00 24.98 H new ATOM 471 N ILE A 30 -1.305 4.580 -6.475 1.00 4.57 N ATOM 472 CA ILE A 30 -0.294 5.432 -5.929 1.00 5.58 C ATOM 473 C ILE A 30 0.674 5.857 -6.979 1.00 7.26 C ATOM 474 O ILE A 30 1.123 7.000 -7.046 1.00 9.46 O ATOM 475 CB ILE A 30 0.450 4.825 -4.777 1.00 5.36 C ATOM 476 CG1 ILE A 30 -0.567 4.557 -3.654 1.00 2.94 C ATOM 477 CG2 ILE A 30 1.538 5.791 -4.279 1.00 2.78 C ATOM 478 CD1 ILE A 30 -0.049 3.462 -2.724 1.00 2.00 C ATOM 0 H ILE A 30 -1.289 3.622 -6.125 1.00 4.57 H new ATOM 0 HA ILE A 30 -0.827 6.301 -5.542 1.00 5.58 H new ATOM 0 HB ILE A 30 0.935 3.899 -5.085 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -0.744 5.471 -3.088 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.523 4.258 -4.083 1.00 2.94 H new ATOM 0 HG21 ILE A 30 2.071 5.339 -3.443 1.00 2.78 H new ATOM 0 HG22 ILE A 30 2.239 5.997 -5.087 1.00 2.78 H new ATOM 0 HG23 ILE A 30 1.076 6.723 -3.953 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.777 3.281 -1.933 1.00 2.00 H new ATOM 0 HD12 ILE A 30 0.105 2.545 -3.292 1.00 2.00 H new ATOM 0 HD13 ILE A 30 0.896 3.777 -2.282 1.00 2.00 H new ATOM 490 N GLN A 31 1.059 4.993 -7.935 1.00 7.06 N ATOM 491 CA GLN A 31 1.730 5.312 -9.157 1.00 8.67 C ATOM 492 C GLN A 31 1.129 6.382 -10.002 1.00 10.90 C ATOM 493 O GLN A 31 1.896 7.307 -10.264 1.00 9.63 O ATOM 494 CB GLN A 31 2.041 4.050 -9.979 1.00 9.12 C ATOM 495 CG GLN A 31 3.085 4.359 -11.053 1.00 10.76 C ATOM 496 CD GLN A 31 3.442 3.132 -11.880 1.00 13.78 C ATOM 497 OE1 GLN A 31 2.957 2.006 -11.782 1.00 14.48 O ATOM 498 NE2 GLN A 31 4.104 3.506 -13.008 1.00 14.76 N ATOM 0 H GLN A 31 0.887 3.992 -7.845 1.00 7.06 H new ATOM 0 HA GLN A 31 2.661 5.764 -8.814 1.00 8.67 H new ATOM 0 HB2 GLN A 31 2.408 3.261 -9.322 1.00 9.12 H new ATOM 0 HB3 GLN A 31 1.129 3.678 -10.445 1.00 9.12 H new ATOM 0 HG2 GLN A 31 2.706 5.141 -11.711 1.00 10.76 H new ATOM 0 HG3 GLN A 31 3.986 4.750 -10.580 1.00 10.76 H new ATOM 0 HE21 GLN A 31 4.502 4.442 -13.079 1.00 14.76 H new ATOM 0 HE22 GLN A 31 4.202 2.850 -13.783 1.00 14.76 H new ATOM 507 N ASP A 32 -0.181 6.375 -10.307 1.00 10.93 N ATOM 508 CA ASP A 32 -0.845 7.377 -11.080 1.00 14.01 C ATOM 509 C ASP A 32 -0.914 8.669 -10.341 1.00 14.04 C ATOM 510 O ASP A 32 -0.637 9.685 -10.976 1.00 13.39 O ATOM 511 CB ASP A 32 -2.221 6.739 -11.340 1.00 18.01 C ATOM 512 CG ASP A 32 -2.876 7.217 -12.628 1.00 24.33 C ATOM 513 OD1 ASP A 32 -2.966 8.453 -12.854 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.441 6.375 -13.375 1.00 25.17 O ATOM 0 H ASP A 32 -0.808 5.632 -9.998 1.00 10.93 H new ATOM 0 HA ASP A 32 -0.337 7.643 -12.007 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.109 5.655 -11.379 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.881 6.962 -10.501 1.00 18.01 H new ATOM 519 N LYS A 33 -1.206 8.764 -9.031 1.00 14.22 N ATOM 520 CA LYS A 33 -1.272 10.006 -8.327 1.00 14.00 C ATOM 521 C LYS A 33 0.056 10.667 -8.184 1.00 12.37 C ATOM 522 O LYS A 33 0.220 11.782 -8.675 1.00 12.17 O ATOM 523 CB LYS A 33 -1.977 9.651 -7.007 1.00 18.62 C ATOM 524 CG LYS A 33 -2.535 10.875 -6.278 1.00 24.00 C ATOM 525 CD LYS A 33 -2.968 10.512 -4.856 1.00 27.61 C ATOM 526 CE LYS A 33 -3.465 11.744 -4.097 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.683 12.983 -4.308 1.00 30.06 N ATOM 0 H LYS A 33 -1.402 7.952 -8.445 1.00 14.22 H new ATOM 0 HA LYS A 33 -1.831 10.772 -8.865 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.791 8.955 -7.212 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -1.274 9.135 -6.353 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -1.779 11.659 -6.243 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.385 11.276 -6.830 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.758 9.762 -4.894 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.130 10.066 -4.321 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -4.499 11.934 -4.386 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -3.469 11.515 -3.031 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -2.893 13.660 -3.547 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.668 12.758 -4.301 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.938 13.403 -5.225 1.00 30.06 H new ATOM 541 N GLU A 34 1.036 9.971 -7.578 1.00 10.11 N ATOM 542 CA GLU A 34 2.205 10.593 -7.040 1.00 10.07 C ATOM 543 C GLU A 34 3.456 10.459 -7.840 1.00 9.32 C ATOM 544 O GLU A 34 4.323 11.317 -7.688 1.00 11.61 O ATOM 545 CB GLU A 34 2.383 9.923 -5.668 1.00 14.77 C ATOM 546 CG GLU A 34 1.268 10.126 -4.640 1.00 18.75 C ATOM 547 CD GLU A 34 1.389 11.528 -4.060 1.00 22.28 C ATOM 548 OE1 GLU A 34 2.404 11.895 -3.409 1.00 25.19 O ATOM 549 OE2 GLU A 34 0.412 12.292 -4.282 1.00 21.95 O ATOM 0 H GLU A 34 1.015 8.958 -7.460 1.00 10.11 H new ATOM 0 HA GLU A 34 2.051 11.672 -7.017 1.00 10.07 H new ATOM 0 HB2 GLU A 34 2.503 8.852 -5.828 1.00 14.77 H new ATOM 0 HB3 GLU A 34 3.314 10.287 -5.233 1.00 14.77 H new ATOM 0 HG2 GLU A 34 0.293 9.994 -5.109 1.00 18.75 H new ATOM 0 HG3 GLU A 34 1.344 9.381 -3.848 1.00 18.75 H new ATOM 556 N GLY A 35 3.543 9.479 -8.757 1.00 7.22 N ATOM 557 CA GLY A 35 4.603 9.216 -9.679 1.00 6.29 C ATOM 558 C GLY A 35 5.781 8.567 -9.037 1.00 6.93 C ATOM 559 O GLY A 35 6.901 9.073 -8.988 1.00 7.41 O ATOM 0 H GLY A 35 2.788 8.801 -8.861 1.00 7.22 H new ATOM 0 HA2 GLY A 35 4.232 8.575 -10.478 1.00 6.29 H new ATOM 0 HA3 GLY A 35 4.917 10.152 -10.141 1.00 6.29 H new ATOM 563 N ILE A 36 5.501 7.399 -8.432 1.00 5.86 N ATOM 564 CA ILE A 36 6.408 6.548 -7.727 1.00 6.07 C ATOM 565 C ILE A 36 6.289 5.170 -8.281 1.00 6.36 C ATOM 566 O ILE A 36 5.176 4.740 -8.577 1.00 6.18 O ATOM 567 CB ILE A 36 6.000 6.594 -6.284 1.00 7.47 C ATOM 568 CG1 ILE A 36 7.012 5.845 -5.400 1.00 8.52 C ATOM 569 CG2 ILE A 36 4.534 6.207 -6.025 1.00 7.36 C ATOM 570 CD1 ILE A 36 6.543 5.784 -3.947 1.00 9.49 C ATOM 0 H ILE A 36 4.555 7.018 -8.438 1.00 5.86 H new ATOM 0 HA ILE A 36 7.447 6.863 -7.829 1.00 6.07 H new ATOM 0 HB ILE A 36 6.032 7.642 -5.986 1.00 7.47 H new ATOM 0 HG12 ILE A 36 7.153 4.834 -5.782 1.00 8.52 H new ATOM 0 HG13 ILE A 36 7.981 6.342 -5.451 1.00 8.52 H new ATOM 0 HG21 ILE A 36 4.325 6.267 -4.957 1.00 7.36 H new ATOM 0 HG22 ILE A 36 3.877 6.891 -6.563 1.00 7.36 H new ATOM 0 HG23 ILE A 36 4.360 5.188 -6.372 1.00 7.36 H new ATOM 0 HD11 ILE A 36 7.280 5.248 -3.349 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.427 6.796 -3.559 1.00 9.49 H new ATOM 0 HD13 ILE A 36 5.586 5.264 -3.895 1.00 9.49 H new ATOM 582 N PRO A 37 7.320 4.420 -8.538 1.00 8.65 N ATOM 583 CA PRO A 37 7.223 3.222 -9.320 1.00 9.18 C ATOM 584 C PRO A 37 6.783 2.131 -8.407 1.00 9.85 C ATOM 585 O PRO A 37 6.921 2.300 -7.196 1.00 8.51 O ATOM 586 CB PRO A 37 8.553 2.951 -10.019 1.00 11.42 C ATOM 587 CG PRO A 37 9.516 3.877 -9.260 1.00 9.27 C ATOM 588 CD PRO A 37 8.659 4.982 -8.622 1.00 8.33 C ATOM 0 HA PRO A 37 6.488 3.307 -10.120 1.00 9.18 H new ATOM 0 HB2 PRO A 37 8.848 1.905 -9.940 1.00 11.42 H new ATOM 0 HB3 PRO A 37 8.510 3.191 -11.081 1.00 11.42 H new ATOM 0 HG2 PRO A 37 10.064 3.324 -8.497 1.00 9.27 H new ATOM 0 HG3 PRO A 37 10.256 4.304 -9.937 1.00 9.27 H new ATOM 0 HD2 PRO A 37 9.036 5.253 -7.636 1.00 8.33 H new ATOM 0 HD3 PRO A 37 8.669 5.888 -9.228 1.00 8.33 H new ATOM 596 N PRO A 38 6.275 1.051 -8.923 1.00 8.71 N ATOM 597 CA PRO A 38 5.659 0.061 -8.089 1.00 9.08 C ATOM 598 C PRO A 38 6.595 -0.866 -7.394 1.00 9.28 C ATOM 599 O PRO A 38 6.127 -1.396 -6.387 1.00 6.50 O ATOM 600 CB PRO A 38 4.734 -0.762 -8.984 1.00 10.31 C ATOM 601 CG PRO A 38 5.338 -0.564 -10.383 1.00 10.81 C ATOM 602 CD PRO A 38 5.920 0.857 -10.321 1.00 12.00 C ATOM 0 HA PRO A 38 5.144 0.596 -7.291 1.00 9.08 H new ATOM 0 HB2 PRO A 38 4.723 -1.813 -8.695 1.00 10.31 H new ATOM 0 HB3 PRO A 38 3.705 -0.407 -8.935 1.00 10.31 H new ATOM 0 HG2 PRO A 38 6.108 -1.305 -10.597 1.00 10.81 H new ATOM 0 HG3 PRO A 38 4.583 -0.655 -11.164 1.00 10.81 H new ATOM 0 HD2 PRO A 38 6.791 0.956 -10.968 1.00 12.00 H new ATOM 0 HD3 PRO A 38 5.192 1.598 -10.651 1.00 12.00 H new ATOM 610 N ASP A 39 7.850 -0.962 -7.870 1.00 11.20 N ATOM 611 CA ASP A 39 8.983 -1.699 -7.404 1.00 14.96 C ATOM 612 C ASP A 39 9.398 -1.132 -6.090 1.00 13.99 C ATOM 613 O ASP A 39 9.712 -1.833 -5.130 1.00 13.75 O ATOM 614 CB ASP A 39 9.961 -1.557 -8.582 1.00 24.16 C ATOM 615 CG ASP A 39 11.321 -2.186 -8.316 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.498 -3.306 -7.766 1.00 34.22 O ATOM 617 OD2 ASP A 39 12.290 -1.435 -8.606 1.00 35.55 O ATOM 0 H ASP A 39 8.100 -0.440 -8.710 1.00 11.20 H new ATOM 0 HA ASP A 39 8.852 -2.757 -7.179 1.00 14.96 H new ATOM 0 HB2 ASP A 39 9.522 -2.018 -9.467 1.00 24.16 H new ATOM 0 HB3 ASP A 39 10.096 -0.499 -8.808 1.00 24.16 H new ATOM 622 N GLN A 40 9.415 0.205 -5.941 1.00 11.60 N ATOM 623 CA GLN A 40 9.693 0.868 -4.705 1.00 10.76 C ATOM 624 C GLN A 40 8.699 0.661 -3.614 1.00 8.01 C ATOM 625 O GLN A 40 9.071 0.741 -2.444 1.00 8.96 O ATOM 626 CB GLN A 40 9.810 2.364 -5.044 1.00 11.14 C ATOM 627 CG GLN A 40 10.689 3.203 -4.115 1.00 14.85 C ATOM 628 CD GLN A 40 10.996 4.543 -4.769 1.00 16.11 C ATOM 629 OE1 GLN A 40 10.251 5.514 -4.645 1.00 20.52 O ATOM 630 NE2 GLN A 40 12.157 4.556 -5.477 1.00 18.16 N ATOM 0 H GLN A 40 9.228 0.848 -6.710 1.00 11.60 H new ATOM 0 HA GLN A 40 10.607 0.438 -4.295 1.00 10.76 H new ATOM 0 HB2 GLN A 40 10.199 2.456 -6.058 1.00 11.14 H new ATOM 0 HB3 GLN A 40 8.808 2.793 -5.047 1.00 11.14 H new ATOM 0 HG2 GLN A 40 10.182 3.360 -3.163 1.00 14.85 H new ATOM 0 HG3 GLN A 40 11.616 2.672 -3.899 1.00 14.85 H new ATOM 0 HE21 GLN A 40 12.727 3.712 -5.538 1.00 18.16 H new ATOM 0 HE22 GLN A 40 12.458 5.410 -5.947 1.00 18.16 H new ATOM 639 N GLN A 41 7.402 0.450 -3.900 1.00 6.52 N ATOM 640 CA GLN A 41 6.439 0.494 -2.843 1.00 3.87 C ATOM 641 C GLN A 41 6.326 -0.780 -2.080 1.00 4.79 C ATOM 642 O GLN A 41 6.047 -1.834 -2.650 1.00 6.34 O ATOM 643 CB GLN A 41 5.105 0.801 -3.544 1.00 4.20 C ATOM 644 CG GLN A 41 4.819 2.213 -4.059 1.00 3.20 C ATOM 645 CD GLN A 41 3.599 2.255 -4.968 1.00 4.89 C ATOM 646 OE1 GLN A 41 2.547 1.777 -4.546 1.00 5.21 O ATOM 647 NE2 GLN A 41 3.807 2.717 -6.230 1.00 7.13 N ATOM 0 H GLN A 41 7.028 0.255 -4.829 1.00 6.52 H new ATOM 0 HA GLN A 41 6.732 1.239 -2.103 1.00 3.87 H new ATOM 0 HB2 GLN A 41 5.022 0.123 -4.393 1.00 4.20 H new ATOM 0 HB3 GLN A 41 4.306 0.541 -2.849 1.00 4.20 H new ATOM 0 HG2 GLN A 41 4.663 2.882 -3.213 1.00 3.20 H new ATOM 0 HG3 GLN A 41 5.688 2.583 -4.602 1.00 3.20 H new ATOM 0 HE21 GLN A 41 4.717 3.098 -6.490 1.00 7.13 H new ATOM 0 HE22 GLN A 41 3.053 2.683 -6.916 1.00 7.13 H new ATOM 656 N ARG A 42 6.555 -0.766 -0.755 1.00 5.73 N ATOM 657 CA ARG A 42 6.245 -1.845 0.130 1.00 6.97 C ATOM 658 C ARG A 42 5.243 -1.243 1.054 1.00 7.15 C ATOM 659 O ARG A 42 5.565 -0.416 1.905 1.00 7.33 O ATOM 660 CB ARG A 42 7.595 -2.320 0.694 1.00 13.23 C ATOM 661 CG ARG A 42 7.381 -3.222 1.911 1.00 21.27 C ATOM 662 CD ARG A 42 8.615 -4.083 2.188 1.00 26.14 C ATOM 663 NE ARG A 42 8.950 -4.948 1.022 1.00 32.26 N ATOM 664 CZ ARG A 42 9.894 -5.931 1.096 1.00 34.32 C ATOM 665 NH1 ARG A 42 10.530 -6.342 2.232 1.00 35.30 N ATOM 666 NH2 ARG A 42 10.114 -6.671 -0.030 1.00 36.39 N ATOM 0 H ARG A 42 6.975 0.033 -0.280 1.00 5.73 H new ATOM 0 HA ARG A 42 5.793 -2.755 -0.264 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.146 -2.862 -0.075 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.202 -1.459 0.975 1.00 13.23 H new ATOM 0 HG2 ARG A 42 7.158 -2.610 2.785 1.00 21.27 H new ATOM 0 HG3 ARG A 42 6.517 -3.865 1.743 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.464 -3.440 2.421 1.00 26.14 H new ATOM 0 HD3 ARG A 42 8.436 -4.705 3.065 1.00 26.14 H new ATOM 0 HE ARG A 42 8.458 -4.801 0.141 1.00 32.26 H new ATOM 0 HH11 ARG A 42 10.311 -5.903 3.126 1.00 35.30 H new ATOM 0 HH12 ARG A 42 11.224 -7.088 2.186 1.00 35.30 H new ATOM 0 HH21 ARG A 42 9.582 -6.478 -0.879 1.00 36.39 H new ATOM 0 HH22 ARG A 42 10.810 -7.417 -0.022 1.00 36.39 H new ATOM 680 N LEU A 43 3.967 -1.583 0.796 1.00 4.65 N ATOM 681 CA LEU A 43 2.947 -1.217 1.728 1.00 3.51 C ATOM 682 C LEU A 43 2.858 -2.124 2.907 1.00 5.56 C ATOM 683 O LEU A 43 2.686 -3.337 2.804 1.00 4.19 O ATOM 684 CB LEU A 43 1.574 -1.344 1.046 1.00 3.74 C ATOM 685 CG LEU A 43 1.266 -0.137 0.144 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.065 -0.378 -0.786 1.00 6.41 C ATOM 687 CD2 LEU A 43 0.922 1.121 0.960 1.00 9.55 C ATOM 0 H LEU A 43 3.649 -2.093 -0.028 1.00 4.65 H new ATOM 0 HA LEU A 43 3.201 -0.208 2.052 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.547 -2.257 0.452 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.798 -1.436 1.806 1.00 3.74 H new ATOM 0 HG LEU A 43 2.178 0.003 -0.437 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.105 0.508 -1.398 1.00 6.41 H new ATOM 0 HD12 LEU A 43 0.270 -1.232 -1.432 1.00 6.41 H new ATOM 0 HD13 LEU A 43 -0.823 -0.581 -0.188 1.00 6.41 H new ATOM 0 HD21 LEU A 43 0.712 1.948 0.282 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.045 0.926 1.577 1.00 9.55 H new ATOM 0 HD23 LEU A 43 1.765 1.382 1.600 1.00 9.55 H new ATOM 699 N ILE A 44 3.179 -1.625 4.114 1.00 4.58 N ATOM 700 CA ILE A 44 2.989 -2.294 5.363 1.00 5.55 C ATOM 701 C ILE A 44 1.692 -1.922 5.996 1.00 5.46 C ATOM 702 O ILE A 44 1.344 -0.743 6.039 1.00 6.04 O ATOM 703 CB ILE A 44 4.113 -2.086 6.334 1.00 6.80 C ATOM 704 CG1 ILE A 44 5.524 -2.460 5.849 1.00 10.31 C ATOM 705 CG2 ILE A 44 3.834 -2.598 7.757 1.00 7.39 C ATOM 706 CD1 ILE A 44 5.728 -3.966 5.687 1.00 13.90 C ATOM 0 H ILE A 44 3.595 -0.700 4.224 1.00 4.58 H new ATOM 0 HA ILE A 44 2.974 -3.356 5.117 1.00 5.55 H new ATOM 0 HB ILE A 44 4.134 -0.998 6.391 1.00 6.80 H new ATOM 0 HG12 ILE A 44 5.714 -1.970 4.894 1.00 10.31 H new ATOM 0 HG13 ILE A 44 6.258 -2.075 6.557 1.00 10.31 H new ATOM 0 HG21 ILE A 44 4.701 -2.405 8.389 1.00 7.39 H new ATOM 0 HG22 ILE A 44 2.965 -2.082 8.165 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.638 -3.670 7.726 1.00 7.39 H new ATOM 0 HD11 ILE A 44 6.744 -4.161 5.343 1.00 13.90 H new ATOM 0 HD12 ILE A 44 5.569 -4.460 6.646 1.00 13.90 H new ATOM 0 HD13 ILE A 44 5.017 -4.353 4.957 1.00 13.90 H new ATOM 718 N PHE A 45 0.946 -2.985 6.345 1.00 6.75 N ATOM 719 CA PHE A 45 -0.131 -2.836 7.275 1.00 4.70 C ATOM 720 C PHE A 45 0.305 -3.421 8.574 1.00 6.34 C ATOM 721 O PHE A 45 0.562 -4.622 8.637 1.00 5.45 O ATOM 722 CB PHE A 45 -1.374 -3.546 6.713 1.00 5.51 C ATOM 723 CG PHE A 45 -2.730 -3.225 7.239 1.00 5.98 C ATOM 724 CD1 PHE A 45 -3.144 -1.914 7.269 1.00 6.86 C ATOM 725 CD2 PHE A 45 -3.548 -4.234 7.691 1.00 5.87 C ATOM 726 CE1 PHE A 45 -4.319 -1.574 7.897 1.00 6.68 C ATOM 727 CE2 PHE A 45 -4.764 -3.884 8.229 1.00 6.64 C ATOM 728 CZ PHE A 45 -5.102 -2.567 8.436 1.00 6.84 C ATOM 0 H PHE A 45 1.084 -3.932 5.991 1.00 6.75 H new ATOM 0 HA PHE A 45 -0.390 -1.789 7.432 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -1.393 -3.360 5.639 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.222 -4.617 6.848 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -2.544 -1.149 6.798 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -3.245 -5.268 7.625 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -4.623 -0.540 7.966 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -5.468 -4.659 8.494 1.00 6.64 H new ATOM 0 HZ PHE A 45 -5.976 -2.315 9.018 1.00 6.84 H new ATOM 738 N ALA A 46 0.481 -2.678 9.681 1.00 6.53 N ATOM 739 CA ALA A 46 0.863 -3.122 10.986 1.00 7.15 C ATOM 740 C ALA A 46 2.266 -3.622 10.977 1.00 9.00 C ATOM 741 O ALA A 46 3.189 -2.810 10.925 1.00 11.15 O ATOM 742 CB ALA A 46 -0.168 -4.048 11.653 1.00 8.99 C ATOM 0 H ALA A 46 0.342 -1.668 9.658 1.00 6.53 H new ATOM 0 HA ALA A 46 0.857 -2.259 11.652 1.00 7.15 H new ATOM 0 HB1 ALA A 46 0.192 -4.343 12.639 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -1.117 -3.522 11.756 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -0.310 -4.937 11.038 1.00 8.99 H new ATOM 748 N GLY A 47 2.330 -4.963 11.061 1.00 9.35 N ATOM 749 CA GLY A 47 3.530 -5.722 10.888 1.00 11.68 C ATOM 750 C GLY A 47 3.523 -6.740 9.801 1.00 11.14 C ATOM 751 O GLY A 47 4.374 -7.628 9.773 1.00 13.93 O ATOM 0 H GLY A 47 1.513 -5.542 11.257 1.00 9.35 H new ATOM 0 HA2 GLY A 47 4.348 -5.027 10.699 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.752 -6.228 11.828 1.00 11.68 H new ATOM 755 N LYS A 48 2.605 -6.589 8.829 1.00 10.47 N ATOM 756 CA LYS A 48 2.422 -7.581 7.816 1.00 8.82 C ATOM 757 C LYS A 48 2.823 -6.852 6.580 1.00 7.68 C ATOM 758 O LYS A 48 2.489 -5.710 6.269 1.00 6.47 O ATOM 759 CB LYS A 48 0.970 -8.059 7.641 1.00 9.74 C ATOM 760 CG LYS A 48 0.939 -9.275 6.712 1.00 14.14 C ATOM 761 CD LYS A 48 -0.423 -9.964 6.611 1.00 16.32 C ATOM 762 CE LYS A 48 -0.988 -10.759 7.790 1.00 20.04 C ATOM 763 NZ LYS A 48 -2.252 -11.434 7.418 1.00 23.92 N ATOM 0 H LYS A 48 1.990 -5.780 8.745 1.00 10.47 H new ATOM 0 HA LYS A 48 2.986 -8.482 8.058 1.00 8.82 H new ATOM 0 HB2 LYS A 48 0.542 -8.318 8.610 1.00 9.74 H new ATOM 0 HB3 LYS A 48 0.360 -7.257 7.227 1.00 9.74 H new ATOM 0 HG2 LYS A 48 1.248 -8.962 5.715 1.00 14.14 H new ATOM 0 HG3 LYS A 48 1.674 -10.001 7.060 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -1.154 -9.194 6.364 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -0.376 -10.643 5.760 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -0.258 -11.500 8.116 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -1.163 -10.091 8.633 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -2.615 -11.966 8.235 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -2.953 -10.723 7.129 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -2.077 -12.088 6.629 1.00 23.92 H new ATOM 777 N GLN A 49 3.551 -7.637 5.766 1.00 8.89 N ATOM 778 CA GLN A 49 3.915 -7.285 4.428 1.00 7.18 C ATOM 779 C GLN A 49 2.867 -7.735 3.469 1.00 8.23 C ATOM 780 O GLN A 49 2.404 -8.859 3.659 1.00 9.70 O ATOM 781 CB GLN A 49 5.341 -7.719 4.051 1.00 11.67 C ATOM 782 CG GLN A 49 5.768 -7.091 2.723 1.00 15.82 C ATOM 783 CD GLN A 49 7.107 -7.691 2.317 1.00 20.21 C ATOM 784 OE1 GLN A 49 7.872 -8.091 3.193 1.00 23.23 O ATOM 785 NE2 GLN A 49 7.222 -7.973 0.992 1.00 20.67 N ATOM 0 H GLN A 49 3.900 -8.552 6.050 1.00 8.89 H new ATOM 0 HA GLN A 49 3.955 -6.197 4.367 1.00 7.18 H new ATOM 0 HB2 GLN A 49 6.035 -7.424 4.838 1.00 11.67 H new ATOM 0 HB3 GLN A 49 5.387 -8.805 3.976 1.00 11.67 H new ATOM 0 HG2 GLN A 49 5.018 -7.281 1.955 1.00 15.82 H new ATOM 0 HG3 GLN A 49 5.852 -6.009 2.825 1.00 15.82 H new ATOM 0 HE21 GLN A 49 6.542 -7.599 0.330 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.989 -8.558 0.660 1.00 20.67 H new ATOM 794 N LEU A 50 2.415 -6.907 2.511 1.00 6.51 N ATOM 795 CA LEU A 50 1.264 -7.128 1.692 1.00 7.41 C ATOM 796 C LEU A 50 1.704 -7.344 0.284 1.00 8.27 C ATOM 797 O LEU A 50 2.508 -6.546 -0.197 1.00 8.34 O ATOM 798 CB LEU A 50 0.373 -5.875 1.737 1.00 7.13 C ATOM 799 CG LEU A 50 0.041 -5.236 3.095 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.116 -4.278 2.764 1.00 9.11 C ATOM 801 CD2 LEU A 50 -0.506 -6.241 4.123 1.00 8.14 C ATOM 0 H LEU A 50 2.884 -6.027 2.295 1.00 6.51 H new ATOM 0 HA LEU A 50 0.715 -7.997 2.053 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.851 -5.111 1.124 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.571 -6.127 1.254 1.00 7.13 H new ATOM 0 HG LEU A 50 0.936 -4.788 3.527 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.434 -3.764 3.671 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.782 -3.545 2.030 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.953 -4.845 2.356 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -0.720 -5.724 5.059 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -1.422 -6.691 3.740 1.00 8.14 H new ATOM 0 HD23 LEU A 50 0.235 -7.020 4.300 1.00 8.14 H new ATOM 813 N GLU A 51 1.216 -8.350 -0.463 1.00 9.43 N ATOM 814 CA GLU A 51 1.642 -8.658 -1.792 1.00 11.90 C ATOM 815 C GLU A 51 0.606 -8.379 -2.826 1.00 11.49 C ATOM 816 O GLU A 51 -0.561 -8.088 -2.568 1.00 9.88 O ATOM 817 CB GLU A 51 2.190 -10.095 -1.772 1.00 16.56 C ATOM 818 CG GLU A 51 3.106 -10.544 -2.913 1.00 26.06 C ATOM 819 CD GLU A 51 3.789 -11.820 -2.441 1.00 29.86 C ATOM 820 OE1 GLU A 51 4.782 -11.656 -1.682 1.00 33.44 O ATOM 821 OE2 GLU A 51 3.360 -12.957 -2.772 1.00 32.13 O ATOM 0 H GLU A 51 0.489 -8.979 -0.123 1.00 9.43 H new ATOM 0 HA GLU A 51 2.444 -7.989 -2.105 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.735 -10.229 -0.837 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.338 -10.774 -1.744 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.533 -10.724 -3.823 1.00 26.06 H new ATOM 0 HG3 GLU A 51 3.841 -9.774 -3.147 1.00 26.06 H new ATOM 828 N ASP A 52 1.042 -8.476 -4.095 1.00 12.71 N ATOM 829 CA ASP A 52 0.492 -7.860 -5.263 1.00 16.56 C ATOM 830 C ASP A 52 -0.741 -8.547 -5.740 1.00 15.83 C ATOM 831 O ASP A 52 -1.721 -7.878 -6.063 1.00 17.21 O ATOM 832 CB ASP A 52 1.588 -7.999 -6.333 1.00 21.05 C ATOM 833 CG ASP A 52 2.836 -7.222 -5.939 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.493 -7.581 -4.925 1.00 28.37 O ATOM 835 OD2 ASP A 52 3.206 -6.332 -6.751 1.00 25.82 O ATOM 0 H ASP A 52 1.860 -9.042 -4.323 1.00 12.71 H new ATOM 0 HA ASP A 52 0.209 -6.828 -5.054 1.00 16.56 H new ATOM 0 HB2 ASP A 52 1.838 -9.051 -6.468 1.00 21.05 H new ATOM 0 HB3 ASP A 52 1.215 -7.634 -7.290 1.00 21.05 H new ATOM 840 N GLY A 53 -0.730 -9.892 -5.755 1.00 15.00 N ATOM 841 CA GLY A 53 -1.816 -10.731 -6.160 1.00 11.77 C ATOM 842 C GLY A 53 -3.009 -10.839 -5.274 1.00 11.10 C ATOM 843 O GLY A 53 -3.919 -11.619 -5.550 1.00 11.25 O ATOM 0 H GLY A 53 0.089 -10.427 -5.466 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -2.159 -10.380 -7.133 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -1.420 -11.736 -6.305 1.00 11.77 H new ATOM 847 N ARG A 54 -3.043 -10.196 -4.093 1.00 8.53 N ATOM 848 CA ARG A 54 -4.117 -10.323 -3.158 1.00 9.05 C ATOM 849 C ARG A 54 -4.785 -9.031 -2.835 1.00 8.96 C ATOM 850 O ARG A 54 -4.327 -7.963 -3.238 1.00 11.60 O ATOM 851 CB ARG A 54 -3.441 -10.850 -1.882 1.00 7.97 C ATOM 852 CG ARG A 54 -2.901 -12.270 -2.063 1.00 9.62 C ATOM 853 CD ARG A 54 -4.018 -13.302 -1.897 1.00 12.20 C ATOM 854 NE ARG A 54 -3.408 -14.566 -2.396 1.00 18.23 N ATOM 855 CZ ARG A 54 -4.023 -15.739 -2.727 1.00 22.08 C ATOM 856 NH1 ARG A 54 -5.362 -16.003 -2.736 1.00 23.38 N ATOM 857 NH2 ARG A 54 -3.234 -16.786 -3.106 1.00 25.50 N ATOM 0 H ARG A 54 -2.302 -9.570 -3.780 1.00 8.53 H new ATOM 0 HA ARG A 54 -4.895 -10.966 -3.570 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -2.624 -10.184 -1.603 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -4.157 -10.837 -1.060 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -2.452 -12.370 -3.051 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -2.113 -12.460 -1.334 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -4.329 -13.391 -0.856 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -4.903 -13.030 -2.472 1.00 12.20 H new ATOM 0 HE ARG A 54 -2.394 -14.553 -2.505 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -6.027 -15.275 -2.474 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -5.698 -16.928 -3.005 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -2.220 -16.676 -3.135 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -3.658 -17.678 -3.360 1.00 25.50 H new ATOM 871 N THR A 55 -5.918 -9.130 -2.117 1.00 9.05 N ATOM 872 CA THR A 55 -6.800 -8.004 -2.132 1.00 9.03 C ATOM 873 C THR A 55 -6.574 -7.292 -0.843 1.00 8.15 C ATOM 874 O THR A 55 -5.742 -7.636 -0.004 1.00 5.91 O ATOM 875 CB THR A 55 -8.253 -8.324 -2.319 1.00 11.15 C ATOM 876 OG1 THR A 55 -8.759 -9.311 -1.432 1.00 11.95 O ATOM 877 CG2 THR A 55 -8.509 -8.977 -3.688 1.00 11.71 C ATOM 0 H THR A 55 -6.212 -9.933 -1.560 1.00 9.05 H new ATOM 0 HA THR A 55 -6.567 -7.396 -3.006 1.00 9.03 H new ATOM 0 HB THR A 55 -8.730 -7.356 -2.169 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.602 -8.999 -1.041 1.00 11.95 H new ATOM 0 HG21 THR A 55 -9.571 -9.197 -3.793 1.00 11.71 H new ATOM 0 HG22 THR A 55 -8.199 -8.295 -4.480 1.00 11.71 H new ATOM 0 HG23 THR A 55 -7.938 -9.902 -3.762 1.00 11.71 H new ATOM 885 N LEU A 56 -7.438 -6.288 -0.611 1.00 6.91 N ATOM 886 CA LEU A 56 -7.499 -5.584 0.632 1.00 8.29 C ATOM 887 C LEU A 56 -8.252 -6.371 1.649 1.00 8.05 C ATOM 888 O LEU A 56 -7.884 -6.421 2.821 1.00 10.17 O ATOM 889 CB LEU A 56 -8.157 -4.226 0.340 1.00 6.60 C ATOM 890 CG LEU A 56 -7.377 -3.364 -0.667 1.00 7.73 C ATOM 891 CD1 LEU A 56 -8.259 -2.362 -1.432 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.391 -2.470 0.103 1.00 9.85 C ATOM 0 H LEU A 56 -8.110 -5.958 -1.304 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.505 -5.431 1.053 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.163 -4.395 -0.043 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.260 -3.674 1.274 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.916 -4.070 -1.358 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -7.642 -1.789 -2.124 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -9.024 -2.902 -1.990 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -8.737 -1.684 -0.725 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.832 -1.854 -0.601 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.942 -1.827 0.789 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.699 -3.094 0.668 1.00 9.85 H new ATOM 904 N SER A 57 -9.322 -7.069 1.229 1.00 8.92 N ATOM 905 CA SER A 57 -10.017 -7.984 2.080 1.00 9.00 C ATOM 906 C SER A 57 -9.280 -9.159 2.624 1.00 9.44 C ATOM 907 O SER A 57 -9.543 -9.580 3.749 1.00 10.91 O ATOM 908 CB SER A 57 -11.358 -8.471 1.506 1.00 10.32 C ATOM 909 OG SER A 57 -11.270 -9.226 0.306 1.00 13.59 O ATOM 0 H SER A 57 -9.710 -6.998 0.288 1.00 8.92 H new ATOM 0 HA SER A 57 -10.171 -7.325 2.934 1.00 9.00 H new ATOM 0 HB2 SER A 57 -11.858 -9.078 2.261 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.992 -7.603 1.323 1.00 10.32 H new ATOM 0 HG SER A 57 -12.169 -9.492 0.020 1.00 13.59 H new ATOM 915 N ASP A 58 -8.299 -9.691 1.872 1.00 9.11 N ATOM 916 CA ASP A 58 -7.475 -10.815 2.191 1.00 7.91 C ATOM 917 C ASP A 58 -6.649 -10.503 3.390 1.00 9.12 C ATOM 918 O ASP A 58 -6.511 -11.276 4.337 1.00 8.61 O ATOM 919 CB ASP A 58 -6.541 -11.313 1.075 1.00 8.41 C ATOM 920 CG ASP A 58 -7.369 -11.736 -0.129 1.00 11.50 C ATOM 921 OD1 ASP A 58 -8.400 -12.440 0.040 1.00 11.70 O ATOM 922 OD2 ASP A 58 -7.019 -11.417 -1.297 1.00 10.05 O ATOM 0 H ASP A 58 -8.064 -9.298 0.961 1.00 9.11 H new ATOM 0 HA ASP A 58 -8.182 -11.626 2.364 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -5.844 -10.525 0.791 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -5.945 -12.152 1.433 1.00 8.41 H new ATOM 927 N TYR A 59 -6.152 -9.256 3.480 1.00 7.97 N ATOM 928 CA TYR A 59 -5.360 -8.630 4.492 1.00 8.45 C ATOM 929 C TYR A 59 -6.161 -7.914 5.525 1.00 10.98 C ATOM 930 O TYR A 59 -5.551 -7.447 6.485 1.00 12.95 O ATOM 931 CB TYR A 59 -4.293 -7.689 3.906 1.00 7.94 C ATOM 932 CG TYR A 59 -3.268 -8.320 3.028 1.00 6.91 C ATOM 933 CD1 TYR A 59 -2.272 -9.147 3.490 1.00 6.98 C ATOM 934 CD2 TYR A 59 -3.348 -8.076 1.678 1.00 4.59 C ATOM 935 CE1 TYR A 59 -1.394 -9.700 2.588 1.00 6.52 C ATOM 936 CE2 TYR A 59 -2.546 -8.712 0.760 1.00 5.39 C ATOM 937 CZ TYR A 59 -1.577 -9.566 1.232 1.00 6.76 C ATOM 938 OH TYR A 59 -0.741 -10.369 0.428 1.00 7.63 O ATOM 0 H TYR A 59 -6.338 -8.594 2.727 1.00 7.97 H new ATOM 0 HA TYR A 59 -4.857 -9.457 4.992 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -4.799 -6.910 3.336 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -3.780 -7.197 4.732 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -2.181 -9.359 4.545 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.070 -7.355 1.324 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -0.541 -10.252 2.953 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.673 -8.546 -0.300 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.177 -11.230 0.261 1.00 7.63 H new ATOM 948 N ASN A 60 -7.504 -7.887 5.462 1.00 12.38 N ATOM 949 CA ASN A 60 -8.410 -7.355 6.432 1.00 13.94 C ATOM 950 C ASN A 60 -8.342 -5.867 6.386 1.00 14.16 C ATOM 951 O ASN A 60 -8.438 -5.258 7.450 1.00 14.26 O ATOM 952 CB ASN A 60 -8.236 -7.962 7.834 1.00 19.23 C ATOM 953 CG ASN A 60 -8.341 -9.474 7.697 1.00 22.65 C ATOM 954 OD1 ASN A 60 -7.372 -10.202 7.908 1.00 25.45 O ATOM 955 ND2 ASN A 60 -9.531 -9.994 7.293 1.00 24.09 N ATOM 0 H ASN A 60 -7.999 -8.273 4.658 1.00 12.38 H new ATOM 0 HA ASN A 60 -9.426 -7.652 6.172 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -7.271 -7.682 8.255 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -9.001 -7.585 8.512 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -9.629 -11.001 7.161 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -10.325 -9.377 7.122 1.00 24.09 H new ATOM 962 N ILE A 61 -8.158 -5.183 5.242 1.00 11.08 N ATOM 963 CA ILE A 61 -8.052 -3.758 5.196 1.00 11.78 C ATOM 964 C ILE A 61 -9.390 -3.181 4.886 1.00 13.74 C ATOM 965 O ILE A 61 -10.004 -3.334 3.831 1.00 14.60 O ATOM 966 CB ILE A 61 -7.181 -3.341 4.048 1.00 11.80 C ATOM 967 CG1 ILE A 61 -5.722 -3.703 4.373 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.265 -1.818 3.844 1.00 13.29 C ATOM 969 CD1 ILE A 61 -4.679 -3.613 3.260 1.00 11.42 C ATOM 0 H ILE A 61 -8.081 -5.631 4.329 1.00 11.08 H new ATOM 0 HA ILE A 61 -7.654 -3.421 6.153 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.516 -3.851 3.145 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -5.394 -3.056 5.187 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -5.712 -4.724 4.754 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.629 -1.527 3.008 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.296 -1.536 3.631 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.930 -1.311 4.749 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -3.703 -3.900 3.652 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -4.956 -4.284 2.447 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.633 -2.590 2.886 1.00 11.42 H new ATOM 981 N GLN A 62 -10.065 -2.418 5.765 1.00 13.97 N ATOM 982 CA GLN A 62 -11.333 -1.778 5.603 1.00 15.52 C ATOM 983 C GLN A 62 -11.143 -0.301 5.606 1.00 13.94 C ATOM 984 O GLN A 62 -10.057 0.272 5.687 1.00 12.15 O ATOM 985 CB GLN A 62 -12.191 -2.246 6.790 1.00 19.53 C ATOM 986 CG GLN A 62 -12.457 -3.753 6.791 1.00 26.38 C ATOM 987 CD GLN A 62 -13.581 -4.210 7.710 1.00 30.61 C ATOM 988 OE1 GLN A 62 -14.562 -3.493 7.902 1.00 33.23 O ATOM 989 NE2 GLN A 62 -13.432 -5.408 8.337 1.00 32.71 N ATOM 0 H GLN A 62 -9.676 -2.232 6.689 1.00 13.97 H new ATOM 0 HA GLN A 62 -11.818 -2.033 4.661 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -11.692 -1.972 7.720 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.144 -1.716 6.771 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -12.691 -4.066 5.773 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -11.541 -4.268 7.080 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -12.607 -5.979 8.156 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -14.146 -5.735 8.988 1.00 32.71 H new ATOM 998 N LYS A 63 -12.249 0.453 5.474 1.00 11.73 N ATOM 999 CA LYS A 63 -12.149 1.879 5.482 1.00 11.97 C ATOM 1000 C LYS A 63 -11.373 2.653 6.491 1.00 10.41 C ATOM 1001 O LYS A 63 -11.341 2.344 7.682 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.540 2.524 5.351 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.542 2.178 6.454 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.809 3.030 6.555 1.00 20.19 C ATOM 1005 CE LYS A 63 -15.699 4.463 7.080 1.00 23.42 C ATOM 1006 NZ LYS A 63 -16.928 5.267 7.262 1.00 25.97 N ATOM 0 H LYS A 63 -13.194 0.085 5.364 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.485 1.965 4.622 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.416 3.607 5.325 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.967 2.229 4.393 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.846 1.140 6.318 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.022 2.235 7.410 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -16.254 3.077 5.561 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -16.513 2.498 7.195 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -15.191 4.420 8.043 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -15.047 5.011 6.400 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -16.676 6.209 7.623 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -17.417 5.365 6.349 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -17.556 4.792 7.942 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.764 3.803 6.152 1.00 10.04 N ATOM 1021 CA GLU A 64 -9.951 4.580 7.035 1.00 10.94 C ATOM 1022 C GLU A 64 -8.801 3.875 7.669 1.00 9.74 C ATOM 1023 O GLU A 64 -8.330 4.273 8.733 1.00 9.42 O ATOM 1024 CB GLU A 64 -10.727 5.312 8.143 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.889 6.171 7.639 1.00 24.16 C ATOM 1026 CD GLU A 64 -12.314 7.088 8.776 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -11.724 8.188 8.951 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -13.308 6.828 9.505 1.00 32.61 O ATOM 0 H GLU A 64 -10.842 4.210 5.220 1.00 10.04 H new ATOM 0 HA GLU A 64 -9.547 5.304 6.327 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -11.114 4.575 8.846 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -10.035 5.947 8.696 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -11.584 6.755 6.770 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -12.721 5.542 7.324 1.00 24.16 H new ATOM 1035 N SER A 65 -8.239 2.859 6.991 1.00 6.85 N ATOM 1036 CA SER A 65 -7.062 2.221 7.494 1.00 6.90 C ATOM 1037 C SER A 65 -5.831 2.982 7.140 1.00 4.72 C ATOM 1038 O SER A 65 -5.838 3.532 6.040 1.00 3.91 O ATOM 1039 CB SER A 65 -7.057 0.785 6.942 1.00 7.28 C ATOM 1040 OG SER A 65 -8.158 0.072 7.486 1.00 10.56 O ATOM 0 H SER A 65 -8.591 2.484 6.110 1.00 6.85 H new ATOM 0 HA SER A 65 -7.069 2.194 8.584 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.120 0.801 5.854 1.00 7.28 H new ATOM 0 HB3 SER A 65 -6.122 0.287 7.200 1.00 7.28 H new ATOM 0 HG SER A 65 -8.956 0.238 6.942 1.00 10.56 H new ATOM 1046 N THR A 66 -4.863 3.083 8.068 1.00 4.48 N ATOM 1047 CA THR A 66 -3.525 3.531 7.834 1.00 3.80 C ATOM 1048 C THR A 66 -2.638 2.446 7.328 1.00 4.60 C ATOM 1049 O THR A 66 -2.504 1.369 7.908 1.00 5.33 O ATOM 1050 CB THR A 66 -3.019 4.291 9.024 1.00 2.85 C ATOM 1051 OG1 THR A 66 -3.697 5.539 9.039 1.00 2.15 O ATOM 1052 CG2 THR A 66 -1.524 4.610 8.857 1.00 3.40 C ATOM 0 H THR A 66 -5.026 2.836 9.044 1.00 4.48 H new ATOM 0 HA THR A 66 -3.521 4.245 7.010 1.00 3.80 H new ATOM 0 HB THR A 66 -3.179 3.703 9.928 1.00 2.85 H new ATOM 0 HG1 THR A 66 -3.394 6.067 9.807 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.170 5.162 9.728 1.00 3.40 H new ATOM 0 HG22 THR A 66 -0.962 3.681 8.763 1.00 3.40 H new ATOM 0 HG23 THR A 66 -1.379 5.214 7.961 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.032 2.660 6.146 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.029 1.813 5.581 1.00 3.85 C ATOM 1062 C LEU A 67 0.210 2.637 5.505 1.00 3.80 C ATOM 1063 O LEU A 67 0.082 3.857 5.407 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.311 1.290 4.163 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.499 0.359 3.866 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -3.807 1.161 3.975 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.434 -0.458 2.564 1.00 8.12 C ATOM 0 H LEU A 67 -2.253 3.463 5.557 1.00 4.17 H new ATOM 0 HA LEU A 67 -0.970 0.929 6.216 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.426 2.164 3.521 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.412 0.769 3.834 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.452 -0.420 4.627 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -4.653 0.507 3.766 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -3.902 1.566 4.982 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -3.793 1.979 3.254 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.330 -1.072 2.474 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.371 0.219 1.712 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -1.554 -1.101 2.582 1.00 8.12 H new ATOM 1079 N HIS A 68 1.396 2.005 5.462 1.00 2.94 N ATOM 1080 CA HIS A 68 2.612 2.747 5.341 1.00 4.17 C ATOM 1081 C HIS A 68 3.514 2.270 4.255 1.00 5.32 C ATOM 1082 O HIS A 68 3.861 1.092 4.187 1.00 7.70 O ATOM 1083 CB HIS A 68 3.392 2.642 6.662 1.00 5.57 C ATOM 1084 CG HIS A 68 2.935 3.509 7.798 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.813 3.191 8.536 1.00 13.74 N ATOM 1086 CD2 HIS A 68 3.412 4.637 8.390 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.669 4.117 9.521 1.00 14.75 C ATOM 1088 NE2 HIS A 68 2.606 5.042 9.435 1.00 16.30 N ATOM 0 H HIS A 68 1.513 0.993 5.510 1.00 2.94 H new ATOM 0 HA HIS A 68 2.317 3.768 5.099 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.357 1.604 6.994 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.437 2.876 6.457 1.00 5.57 H new ATOM 0 HD2 HIS A 68 4.310 5.152 8.081 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.893 4.098 10.272 1.00 14.75 H new ATOM 0 HE2 HIS A 68 2.712 5.875 10.014 1.00 16.30 H new ATOM 1096 N LEU A 69 3.995 3.099 3.311 1.00 5.29 N ATOM 1097 CA LEU A 69 5.100 2.794 2.456 1.00 3.97 C ATOM 1098 C LEU A 69 6.410 2.932 3.152 1.00 5.07 C ATOM 1099 O LEU A 69 6.615 3.956 3.801 1.00 4.34 O ATOM 1100 CB LEU A 69 5.154 3.688 1.205 1.00 6.08 C ATOM 1101 CG LEU A 69 3.918 3.492 0.309 1.00 7.37 C ATOM 1102 CD1 LEU A 69 3.731 4.625 -0.714 1.00 9.96 C ATOM 1103 CD2 LEU A 69 3.960 2.138 -0.418 1.00 6.87 C ATOM 0 H LEU A 69 3.596 4.022 3.136 1.00 5.29 H new ATOM 0 HA LEU A 69 4.934 1.758 2.162 1.00 3.97 H new ATOM 0 HB2 LEU A 69 5.222 4.733 1.508 1.00 6.08 H new ATOM 0 HB3 LEU A 69 6.055 3.462 0.635 1.00 6.08 H new ATOM 0 HG LEU A 69 3.060 3.512 0.982 1.00 7.37 H new ATOM 0 HD11 LEU A 69 2.843 4.429 -1.316 1.00 9.96 H new ATOM 0 HD12 LEU A 69 3.612 5.573 -0.189 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.605 4.677 -1.363 1.00 9.96 H new ATOM 0 HD21 LEU A 69 3.072 2.032 -1.042 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.851 2.088 -1.044 1.00 6.87 H new ATOM 0 HD23 LEU A 69 3.986 1.332 0.315 1.00 6.87 H new ATOM 1115 N VAL A 70 7.229 1.869 3.251 1.00 4.29 N ATOM 1116 CA VAL A 70 8.413 1.784 4.047 1.00 6.26 C ATOM 1117 C VAL A 70 9.533 1.747 3.064 1.00 9.22 C ATOM 1118 O VAL A 70 9.229 1.782 1.873 1.00 9.36 O ATOM 1119 CB VAL A 70 8.451 0.600 4.967 1.00 8.69 C ATOM 1120 CG1 VAL A 70 7.294 0.807 5.959 1.00 9.76 C ATOM 1121 CG2 VAL A 70 8.271 -0.751 4.254 1.00 8.54 C ATOM 0 H VAL A 70 7.049 1.007 2.736 1.00 4.29 H new ATOM 0 HA VAL A 70 8.471 2.634 4.726 1.00 6.26 H new ATOM 0 HB VAL A 70 9.432 0.550 5.440 1.00 8.69 H new ATOM 0 HG11 VAL A 70 7.264 -0.025 6.662 1.00 9.76 H new ATOM 0 HG12 VAL A 70 7.445 1.738 6.505 1.00 9.76 H new ATOM 0 HG13 VAL A 70 6.351 0.855 5.414 1.00 9.76 H new ATOM 0 HG21 VAL A 70 8.310 -1.557 4.987 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.307 -0.769 3.746 1.00 8.54 H new ATOM 0 HG23 VAL A 70 9.068 -0.886 3.523 1.00 8.54 H new ATOM 1131 N LEU A 71 10.777 1.642 3.563 1.00 12.71 N ATOM 1132 CA LEU A 71 11.969 1.448 2.797 1.00 16.06 C ATOM 1133 C LEU A 71 12.270 0.018 2.504 1.00 18.09 C ATOM 1134 O LEU A 71 12.595 -0.774 3.387 1.00 19.26 O ATOM 1135 CB LEU A 71 13.107 2.082 3.615 1.00 17.10 C ATOM 1136 CG LEU A 71 14.452 2.181 2.876 1.00 19.37 C ATOM 1137 CD1 LEU A 71 14.179 2.733 1.467 1.00 19.57 C ATOM 1138 CD2 LEU A 71 15.477 2.932 3.742 1.00 17.51 C ATOM 0 H LEU A 71 10.962 1.696 4.565 1.00 12.71 H new ATOM 0 HA LEU A 71 11.847 1.911 1.818 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.802 3.083 3.922 1.00 17.10 H new ATOM 0 HB3 LEU A 71 13.250 1.499 4.525 1.00 17.10 H new ATOM 0 HG LEU A 71 14.928 1.213 2.719 1.00 19.37 H new ATOM 0 HD11 LEU A 71 15.118 2.814 0.920 1.00 19.57 H new ATOM 0 HD12 LEU A 71 13.506 2.059 0.936 1.00 19.57 H new ATOM 0 HD13 LEU A 71 13.719 3.718 1.545 1.00 19.57 H new ATOM 0 HD21 LEU A 71 16.426 2.996 3.209 1.00 17.51 H new ATOM 0 HD22 LEU A 71 15.110 3.937 3.952 1.00 17.51 H new ATOM 0 HD23 LEU A 71 15.623 2.396 4.680 1.00 17.51 H new