USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 606 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 13 TYR OH : rot 70:sc= 0.439 USER MOD Set 1.2: A 34 THR OG1 : rot 174:sc= 0.497! USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -149:sc= -0.668 (180deg=-3.46!) USER MOD Single : A 1 LYS NZ :NH3+ 152:sc= -6.84! (180deg=-8.11!) USER MOD Single : A 2 SER OG : rot 140:sc= -3.58! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -6.65 K(o=-6.6,f=-0.97) USER MOD Single : A 24 SER OG : rot 112:sc= -0.328 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0793 USER MOD Single : A 41 LYS NZ :NH3+ -173:sc= -0.014 (180deg=-0.104) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0282 USER MOD Single : A 45 THR OG1 : rot 85:sc= -1.56! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -3.1! K(o=-3.1!,f=-1.2) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0426 USER MOD Single : A 67 GLN : amide:sc= 0.33 K(o=0.33,f=-0.77) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 159:sc= -0.0177 (180deg=-0.725) USER MOD Single : A 74 SER OG : rot -73:sc= -2.16! USER MOD Single : A 75 GLN : amide:sc= -0.879 K(o=-0.88,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 10.075 10.210 1.340 1.00 0.00 N ATOM 2 CA MET A 0 10.605 9.288 2.385 1.00 0.00 C ATOM 3 C MET A 0 9.519 9.036 3.440 1.00 0.00 C ATOM 4 O MET A 0 8.840 9.948 3.865 1.00 0.00 O ATOM 5 CB MET A 0 11.831 9.923 3.055 1.00 0.00 C ATOM 6 CG MET A 0 12.696 10.626 2.004 1.00 0.00 C ATOM 7 SD MET A 0 12.930 12.358 2.478 1.00 0.00 S ATOM 8 CE MET A 0 13.532 12.954 0.880 1.00 0.00 C ATOM 0 H1 MET A 0 10.521 9.992 0.426 1.00 0.00 H new ATOM 0 H2 MET A 0 9.045 10.089 1.260 1.00 0.00 H new ATOM 0 H3 MET A 0 10.289 11.193 1.604 1.00 0.00 H new ATOM 0 HA MET A 0 10.893 8.343 1.924 1.00 0.00 H new ATOM 0 HB2 MET A 0 11.512 10.638 3.813 1.00 0.00 H new ATOM 0 HB3 MET A 0 12.415 9.157 3.565 1.00 0.00 H new ATOM 0 HG2 MET A 0 13.661 10.127 1.919 1.00 0.00 H new ATOM 0 HG3 MET A 0 12.219 10.566 1.026 1.00 0.00 H new ATOM 0 HE1 MET A 0 13.743 14.021 0.946 1.00 0.00 H new ATOM 0 HE2 MET A 0 14.443 12.420 0.612 1.00 0.00 H new ATOM 0 HE3 MET A 0 12.773 12.781 0.118 1.00 0.00 H new ATOM 18 N LYS A 1 9.356 7.812 3.880 1.00 0.00 N ATOM 19 CA LYS A 1 8.325 7.525 4.920 1.00 0.00 C ATOM 20 C LYS A 1 8.965 7.816 6.261 1.00 0.00 C ATOM 21 O LYS A 1 8.327 8.251 7.190 1.00 0.00 O ATOM 22 CB LYS A 1 7.845 6.068 4.791 1.00 0.00 C ATOM 23 CG LYS A 1 7.668 5.392 6.164 1.00 0.00 C ATOM 24 CD LYS A 1 6.966 4.035 5.967 1.00 0.00 C ATOM 25 CE LYS A 1 5.891 3.809 7.045 1.00 0.00 C ATOM 26 NZ LYS A 1 6.456 4.056 8.403 1.00 0.00 N ATOM 0 H LYS A 1 9.891 7.003 3.564 1.00 0.00 H new ATOM 0 HA LYS A 1 7.437 8.147 4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 1 6.898 6.045 4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 1 8.563 5.501 4.198 1.00 0.00 H new ATOM 0 HG2 LYS A 1 8.638 5.249 6.641 1.00 0.00 H new ATOM 0 HG3 LYS A 1 7.079 6.029 6.824 1.00 0.00 H new ATOM 0 HD2 LYS A 1 6.508 3.998 4.978 1.00 0.00 H new ATOM 0 HD3 LYS A 1 7.702 3.232 6.008 1.00 0.00 H new ATOM 0 HE2 LYS A 1 5.046 4.474 6.869 1.00 0.00 H new ATOM 0 HE3 LYS A 1 5.512 2.789 6.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 5.698 4.367 9.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 6.879 3.179 8.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 7.186 4.795 8.346 1.00 0.00 H new ATOM 40 N SER A 2 10.239 7.616 6.341 1.00 0.00 N ATOM 41 CA SER A 2 10.962 7.930 7.588 1.00 0.00 C ATOM 42 C SER A 2 12.430 7.557 7.360 1.00 0.00 C ATOM 43 O SER A 2 12.779 7.138 6.275 1.00 0.00 O ATOM 44 CB SER A 2 10.340 7.145 8.732 1.00 0.00 C ATOM 45 OG SER A 2 11.189 6.058 9.074 1.00 0.00 O ATOM 0 H SER A 2 10.817 7.244 5.587 1.00 0.00 H new ATOM 0 HA SER A 2 10.898 8.986 7.850 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.195 7.793 9.596 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.356 6.775 8.442 1.00 0.00 H new ATOM 0 HG SER A 2 11.214 5.957 10.048 1.00 0.00 H new ATOM 51 N PRO A 3 13.261 7.720 8.354 1.00 0.00 N ATOM 52 CA PRO A 3 14.692 7.398 8.210 1.00 0.00 C ATOM 53 C PRO A 3 14.881 5.980 7.648 1.00 0.00 C ATOM 54 O PRO A 3 15.957 5.618 7.214 1.00 0.00 O ATOM 55 CB PRO A 3 15.267 7.530 9.626 1.00 0.00 C ATOM 56 CG PRO A 3 14.162 8.157 10.517 1.00 0.00 C ATOM 57 CD PRO A 3 12.868 8.219 9.684 1.00 0.00 C ATOM 0 HA PRO A 3 15.199 8.060 7.508 1.00 0.00 H new ATOM 0 HB2 PRO A 3 15.565 6.555 10.012 1.00 0.00 H new ATOM 0 HB3 PRO A 3 16.159 8.157 9.622 1.00 0.00 H new ATOM 0 HG2 PRO A 3 14.010 7.559 11.416 1.00 0.00 H new ATOM 0 HG3 PRO A 3 14.455 9.155 10.844 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.083 7.603 10.123 1.00 0.00 H new ATOM 0 HD3 PRO A 3 12.481 9.236 9.628 1.00 0.00 H new ATOM 65 N GLU A 4 13.848 5.176 7.644 1.00 0.00 N ATOM 66 CA GLU A 4 13.969 3.793 7.105 1.00 0.00 C ATOM 67 C GLU A 4 12.765 2.987 7.571 1.00 0.00 C ATOM 68 O GLU A 4 12.902 1.983 8.241 1.00 0.00 O ATOM 69 CB GLU A 4 15.250 3.143 7.630 1.00 0.00 C ATOM 70 CG GLU A 4 15.396 3.436 9.126 1.00 0.00 C ATOM 71 CD GLU A 4 16.529 2.587 9.702 1.00 0.00 C ATOM 72 OE1 GLU A 4 16.421 1.374 9.648 1.00 0.00 O ATOM 73 OE2 GLU A 4 17.488 3.166 10.188 1.00 0.00 O ATOM 0 H GLU A 4 12.922 5.422 7.994 1.00 0.00 H new ATOM 0 HA GLU A 4 14.006 3.821 6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 4 15.220 2.067 7.461 1.00 0.00 H new ATOM 0 HB3 GLU A 4 16.114 3.527 7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.605 4.494 9.282 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.462 3.216 9.644 1.00 0.00 H new ATOM 80 N GLU A 5 11.580 3.413 7.225 1.00 0.00 N ATOM 81 CA GLU A 5 10.383 2.652 7.666 1.00 0.00 C ATOM 82 C GLU A 5 9.637 2.124 6.446 1.00 0.00 C ATOM 83 O GLU A 5 8.786 1.265 6.555 1.00 0.00 O ATOM 84 CB GLU A 5 9.467 3.549 8.470 1.00 0.00 C ATOM 85 CG GLU A 5 9.251 2.956 9.867 1.00 0.00 C ATOM 86 CD GLU A 5 9.862 3.886 10.917 1.00 0.00 C ATOM 87 OE1 GLU A 5 9.329 4.968 11.103 1.00 0.00 O ATOM 88 OE2 GLU A 5 10.851 3.500 11.516 1.00 0.00 O ATOM 0 H GLU A 5 11.393 4.244 6.664 1.00 0.00 H new ATOM 0 HA GLU A 5 10.701 1.816 8.289 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.900 4.546 8.552 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.510 3.658 7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.186 2.825 10.057 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.709 1.969 9.929 1.00 0.00 H new ATOM 95 N LEU A 6 9.934 2.641 5.284 1.00 0.00 N ATOM 96 CA LEU A 6 9.234 2.168 4.065 1.00 0.00 C ATOM 97 C LEU A 6 9.528 0.695 3.863 1.00 0.00 C ATOM 98 O LEU A 6 8.679 -0.071 3.450 1.00 0.00 O ATOM 99 CB LEU A 6 9.745 2.893 2.830 1.00 0.00 C ATOM 100 CG LEU A 6 8.579 3.286 1.942 1.00 0.00 C ATOM 101 CD1 LEU A 6 9.080 3.471 0.508 1.00 0.00 C ATOM 102 CD2 LEU A 6 7.488 2.207 1.948 1.00 0.00 C ATOM 0 H LEU A 6 10.631 3.370 5.131 1.00 0.00 H new ATOM 0 HA LEU A 6 8.168 2.355 4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 6 10.304 3.781 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.433 2.251 2.279 1.00 0.00 H new ATOM 0 HG LEU A 6 8.155 4.214 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.246 3.754 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.837 4.254 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.513 2.537 0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.666 2.517 1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.903 1.268 1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.119 2.068 2.964 1.00 0.00 H new ATOM 114 N LYS A 7 10.737 0.293 4.123 1.00 0.00 N ATOM 115 CA LYS A 7 11.082 -1.140 3.909 1.00 0.00 C ATOM 116 C LYS A 7 10.495 -1.982 5.042 1.00 0.00 C ATOM 117 O LYS A 7 10.582 -3.193 5.042 1.00 0.00 O ATOM 118 CB LYS A 7 12.598 -1.305 3.850 1.00 0.00 C ATOM 119 CG LYS A 7 12.948 -2.303 2.741 1.00 0.00 C ATOM 120 CD LYS A 7 14.455 -2.570 2.739 1.00 0.00 C ATOM 121 CE LYS A 7 14.928 -2.811 4.170 1.00 0.00 C ATOM 122 NZ LYS A 7 16.169 -3.637 4.153 1.00 0.00 N ATOM 0 H LYS A 7 11.493 0.883 4.470 1.00 0.00 H new ATOM 0 HA LYS A 7 10.660 -1.479 2.963 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.074 -0.344 3.656 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.976 -1.660 4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.405 -3.235 2.894 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.638 -1.908 1.773 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.681 -3.437 2.118 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.985 -1.722 2.307 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.119 -1.859 4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.150 -3.317 4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.490 -3.801 5.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.972 -4.550 3.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.911 -3.137 3.623 1.00 0.00 H new ATOM 136 N GLY A 8 9.883 -1.346 6.001 1.00 0.00 N ATOM 137 CA GLY A 8 9.269 -2.099 7.126 1.00 0.00 C ATOM 138 C GLY A 8 7.836 -2.486 6.749 1.00 0.00 C ATOM 139 O GLY A 8 7.436 -3.624 6.886 1.00 0.00 O ATOM 0 H GLY A 8 9.782 -0.332 6.053 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.854 -2.992 7.344 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.268 -1.490 8.030 1.00 0.00 H new ATOM 143 N ILE A 9 7.058 -1.547 6.273 1.00 0.00 N ATOM 144 CA ILE A 9 5.655 -1.871 5.890 1.00 0.00 C ATOM 145 C ILE A 9 5.647 -2.947 4.814 1.00 0.00 C ATOM 146 O ILE A 9 4.992 -3.941 4.942 1.00 0.00 O ATOM 147 CB ILE A 9 4.954 -0.619 5.379 1.00 0.00 C ATOM 148 CG1 ILE A 9 3.451 -0.812 5.489 1.00 0.00 C ATOM 149 CG2 ILE A 9 5.312 -0.333 3.928 1.00 0.00 C ATOM 150 CD1 ILE A 9 2.979 -0.240 6.823 1.00 0.00 C ATOM 0 H ILE A 9 7.334 -0.575 6.134 1.00 0.00 H new ATOM 0 HA ILE A 9 5.124 -2.242 6.767 1.00 0.00 H new ATOM 0 HB ILE A 9 5.280 0.226 5.985 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.945 -0.312 4.663 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.200 -1.871 5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.794 0.567 3.596 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.388 -0.185 3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.010 -1.176 3.306 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.901 -0.372 6.915 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.479 -0.761 7.640 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.219 0.822 6.869 1.00 0.00 H new ATOM 162 N PHE A 10 6.375 -2.770 3.760 1.00 0.00 N ATOM 163 CA PHE A 10 6.399 -3.826 2.712 1.00 0.00 C ATOM 164 C PHE A 10 6.493 -5.247 3.306 1.00 0.00 C ATOM 165 O PHE A 10 5.539 -5.982 3.328 1.00 0.00 O ATOM 166 CB PHE A 10 7.563 -3.583 1.750 1.00 0.00 C ATOM 167 CG PHE A 10 7.099 -3.372 0.340 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.819 -2.906 0.013 1.00 0.00 C ATOM 169 CD2 PHE A 10 7.979 -3.767 -0.664 1.00 0.00 C ATOM 170 CE1 PHE A 10 5.434 -2.853 -1.338 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.608 -3.695 -1.993 1.00 0.00 C ATOM 172 CZ PHE A 10 6.341 -3.247 -2.339 1.00 0.00 C ATOM 0 H PHE A 10 6.952 -1.950 3.573 1.00 0.00 H new ATOM 0 HA PHE A 10 5.454 -3.765 2.172 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.128 -2.711 2.079 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.243 -4.434 1.783 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.137 -2.591 0.789 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.961 -4.133 -0.402 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.445 -2.511 -1.607 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.305 -3.988 -2.764 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.051 -3.201 -3.378 1.00 0.00 H new ATOM 182 N GLU A 11 7.628 -5.652 3.772 1.00 0.00 N ATOM 183 CA GLU A 11 7.751 -7.039 4.335 1.00 0.00 C ATOM 184 C GLU A 11 6.664 -7.284 5.395 1.00 0.00 C ATOM 185 O GLU A 11 6.422 -8.400 5.809 1.00 0.00 O ATOM 186 CB GLU A 11 9.132 -7.209 4.971 1.00 0.00 C ATOM 187 CG GLU A 11 9.283 -6.230 6.136 1.00 0.00 C ATOM 188 CD GLU A 11 10.142 -6.865 7.231 1.00 0.00 C ATOM 189 OE1 GLU A 11 10.856 -7.806 6.928 1.00 0.00 O ATOM 190 OE2 GLU A 11 10.070 -6.398 8.356 1.00 0.00 O ATOM 0 H GLU A 11 8.482 -5.095 3.794 1.00 0.00 H new ATOM 0 HA GLU A 11 7.625 -7.761 3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.258 -8.233 5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.910 -7.030 4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.743 -5.305 5.789 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.303 -5.969 6.534 1.00 0.00 H new ATOM 197 N LYS A 12 6.021 -6.245 5.833 1.00 0.00 N ATOM 198 CA LYS A 12 4.943 -6.383 6.872 1.00 0.00 C ATOM 199 C LYS A 12 3.619 -6.789 6.212 1.00 0.00 C ATOM 200 O LYS A 12 3.043 -7.807 6.529 1.00 0.00 O ATOM 201 CB LYS A 12 4.756 -5.053 7.606 1.00 0.00 C ATOM 202 CG LYS A 12 3.666 -5.209 8.666 1.00 0.00 C ATOM 203 CD LYS A 12 4.312 -5.453 10.031 1.00 0.00 C ATOM 204 CE LYS A 12 3.720 -6.718 10.655 1.00 0.00 C ATOM 205 NZ LYS A 12 2.701 -6.339 11.674 1.00 0.00 N ATOM 0 H LYS A 12 6.190 -5.290 5.518 1.00 0.00 H new ATOM 0 HA LYS A 12 5.240 -7.154 7.583 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.692 -4.748 8.073 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.482 -4.270 6.899 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.046 -4.313 8.700 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.010 -6.041 8.409 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.391 -5.559 9.921 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.141 -4.598 10.685 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.265 -7.338 9.883 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.509 -7.312 11.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.298 -7.199 12.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.149 -5.764 12.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.944 -5.790 11.220 1.00 0.00 H new ATOM 219 N TYR A 13 3.133 -5.993 5.300 1.00 0.00 N ATOM 220 CA TYR A 13 1.863 -6.319 4.605 1.00 0.00 C ATOM 221 C TYR A 13 2.222 -6.858 3.226 1.00 0.00 C ATOM 222 O TYR A 13 1.604 -7.775 2.724 1.00 0.00 O ATOM 223 CB TYR A 13 1.008 -5.058 4.469 1.00 0.00 C ATOM 224 CG TYR A 13 0.906 -4.386 5.814 1.00 0.00 C ATOM 225 CD1 TYR A 13 0.745 -5.161 6.967 1.00 0.00 C ATOM 226 CD2 TYR A 13 0.979 -2.994 5.908 1.00 0.00 C ATOM 227 CE1 TYR A 13 0.656 -4.542 8.218 1.00 0.00 C ATOM 228 CE2 TYR A 13 0.893 -2.374 7.160 1.00 0.00 C ATOM 229 CZ TYR A 13 0.733 -3.148 8.314 1.00 0.00 C ATOM 230 OH TYR A 13 0.656 -2.541 9.549 1.00 0.00 O ATOM 0 H TYR A 13 3.570 -5.120 5.005 1.00 0.00 H new ATOM 0 HA TYR A 13 1.293 -7.058 5.168 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.452 -4.379 3.742 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.015 -5.315 4.100 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.689 -6.237 6.891 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.102 -2.397 5.016 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.528 -5.139 9.109 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.950 -1.298 7.235 1.00 0.00 H new ATOM 0 HH TYR A 13 1.470 -2.733 10.059 1.00 0.00 H new ATOM 240 N ALA A 14 3.240 -6.308 2.615 1.00 0.00 N ATOM 241 CA ALA A 14 3.656 -6.820 1.284 1.00 0.00 C ATOM 242 C ALA A 14 3.951 -8.320 1.433 1.00 0.00 C ATOM 243 O ALA A 14 3.910 -9.069 0.477 1.00 0.00 O ATOM 244 CB ALA A 14 4.919 -6.070 0.797 1.00 0.00 C ATOM 0 H ALA A 14 3.794 -5.533 2.980 1.00 0.00 H new ATOM 0 HA ALA A 14 2.867 -6.660 0.549 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.216 -6.453 -0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.702 -5.005 0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.730 -6.223 1.509 1.00 0.00 H new ATOM 250 N ASP A 15 4.257 -8.760 2.639 1.00 0.00 N ATOM 251 CA ASP A 15 4.568 -10.197 2.865 1.00 0.00 C ATOM 252 C ASP A 15 3.269 -10.965 3.150 1.00 0.00 C ATOM 253 O ASP A 15 3.177 -12.158 2.941 1.00 0.00 O ATOM 254 CB ASP A 15 5.518 -10.335 4.066 1.00 0.00 C ATOM 255 CG ASP A 15 4.738 -10.318 5.383 1.00 0.00 C ATOM 256 OD1 ASP A 15 3.724 -9.652 5.438 1.00 0.00 O ATOM 257 OD2 ASP A 15 5.172 -10.977 6.313 1.00 0.00 O ATOM 0 H ASP A 15 4.302 -8.175 3.473 1.00 0.00 H new ATOM 0 HA ASP A 15 5.045 -10.608 1.975 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.082 -11.264 3.984 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.243 -9.521 4.057 1.00 0.00 H new ATOM 262 N LYS A 16 2.279 -10.279 3.653 1.00 0.00 N ATOM 263 CA LYS A 16 0.986 -10.937 3.988 1.00 0.00 C ATOM 264 C LYS A 16 0.410 -11.617 2.746 1.00 0.00 C ATOM 265 O LYS A 16 -0.275 -12.616 2.837 1.00 0.00 O ATOM 266 CB LYS A 16 0.005 -9.878 4.497 1.00 0.00 C ATOM 267 CG LYS A 16 -0.429 -10.223 5.924 1.00 0.00 C ATOM 268 CD LYS A 16 0.477 -9.493 6.918 1.00 0.00 C ATOM 269 CE LYS A 16 0.343 -10.132 8.301 1.00 0.00 C ATOM 270 NZ LYS A 16 -0.147 -9.113 9.272 1.00 0.00 N ATOM 0 H LYS A 16 2.313 -9.278 3.848 1.00 0.00 H new ATOM 0 HA LYS A 16 1.149 -11.690 4.759 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.474 -8.894 4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.866 -9.830 3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.468 -9.933 6.081 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.371 -11.300 6.084 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.513 -9.541 6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.206 -8.438 6.966 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.349 -10.973 8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.306 -10.527 8.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.239 -9.546 10.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.529 -8.324 9.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.074 -8.757 8.963 1.00 0.00 H new ATOM 284 N GLU A 17 0.687 -11.093 1.584 1.00 0.00 N ATOM 285 CA GLU A 17 0.155 -11.723 0.344 1.00 0.00 C ATOM 286 C GLU A 17 1.023 -12.929 -0.005 1.00 0.00 C ATOM 287 O GLU A 17 0.585 -13.860 -0.648 1.00 0.00 O ATOM 288 CB GLU A 17 0.199 -10.714 -0.803 1.00 0.00 C ATOM 289 CG GLU A 17 1.621 -10.170 -0.948 1.00 0.00 C ATOM 290 CD GLU A 17 1.913 -9.892 -2.423 1.00 0.00 C ATOM 291 OE1 GLU A 17 1.362 -10.591 -3.257 1.00 0.00 O ATOM 292 OE2 GLU A 17 2.680 -8.983 -2.693 1.00 0.00 O ATOM 0 H GLU A 17 1.256 -10.259 1.440 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.876 -12.040 0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.117 -11.189 -1.732 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.497 -9.897 -0.610 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.733 -9.256 -0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.339 -10.889 -0.553 1.00 0.00 H new ATOM 299 N GLY A 18 2.255 -12.920 0.424 1.00 0.00 N ATOM 300 CA GLY A 18 3.155 -14.064 0.128 1.00 0.00 C ATOM 301 C GLY A 18 4.490 -13.541 -0.403 1.00 0.00 C ATOM 302 O GLY A 18 4.968 -13.976 -1.433 1.00 0.00 O ATOM 0 H GLY A 18 2.676 -12.167 0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.317 -14.655 1.029 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.693 -14.723 -0.607 1.00 0.00 H new ATOM 306 N ASP A 19 5.101 -12.616 0.290 1.00 0.00 N ATOM 307 CA ASP A 19 6.407 -12.083 -0.197 1.00 0.00 C ATOM 308 C ASP A 19 6.909 -10.940 0.694 1.00 0.00 C ATOM 309 O ASP A 19 7.742 -11.135 1.558 1.00 0.00 O ATOM 310 CB ASP A 19 6.245 -11.591 -1.638 1.00 0.00 C ATOM 311 CG ASP A 19 7.479 -11.982 -2.453 1.00 0.00 C ATOM 312 OD1 ASP A 19 8.510 -11.358 -2.265 1.00 0.00 O ATOM 313 OD2 ASP A 19 7.371 -12.896 -3.254 1.00 0.00 O ATOM 0 H ASP A 19 4.758 -12.211 1.161 1.00 0.00 H new ATOM 0 HA ASP A 19 7.145 -12.884 -0.159 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.350 -12.025 -2.083 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.115 -10.509 -1.652 1.00 0.00 H new ATOM 318 N GLY A 20 6.441 -9.746 0.469 1.00 0.00 N ATOM 319 CA GLY A 20 6.923 -8.584 1.271 1.00 0.00 C ATOM 320 C GLY A 20 7.532 -7.575 0.305 1.00 0.00 C ATOM 321 O GLY A 20 7.764 -6.431 0.644 1.00 0.00 O ATOM 0 H GLY A 20 5.742 -9.521 -0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.099 -8.134 1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.662 -8.906 2.004 1.00 0.00 H new ATOM 325 N ASN A 21 7.802 -8.000 -0.903 1.00 0.00 N ATOM 326 CA ASN A 21 8.402 -7.088 -1.895 1.00 0.00 C ATOM 327 C ASN A 21 7.321 -6.477 -2.814 1.00 0.00 C ATOM 328 O ASN A 21 7.612 -5.655 -3.656 1.00 0.00 O ATOM 329 CB ASN A 21 9.403 -7.883 -2.731 1.00 0.00 C ATOM 330 CG ASN A 21 10.759 -7.897 -2.026 1.00 0.00 C ATOM 331 OD1 ASN A 21 11.534 -6.969 -2.150 1.00 0.00 O ATOM 332 ND2 ASN A 21 11.080 -8.920 -1.283 1.00 0.00 N ATOM 0 H ASN A 21 7.628 -8.948 -1.237 1.00 0.00 H new ATOM 0 HA ASN A 21 8.900 -6.268 -1.377 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.045 -8.903 -2.874 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.501 -7.438 -3.721 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.981 -8.941 -0.806 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.430 -9.699 -1.179 1.00 0.00 H new ATOM 339 N GLN A 22 6.084 -6.855 -2.642 1.00 0.00 N ATOM 340 CA GLN A 22 4.983 -6.283 -3.479 1.00 0.00 C ATOM 341 C GLN A 22 3.707 -6.272 -2.638 1.00 0.00 C ATOM 342 O GLN A 22 3.636 -6.890 -1.596 1.00 0.00 O ATOM 343 CB GLN A 22 4.747 -7.115 -4.748 1.00 0.00 C ATOM 344 CG GLN A 22 6.079 -7.468 -5.419 1.00 0.00 C ATOM 345 CD GLN A 22 6.566 -8.830 -4.923 1.00 0.00 C ATOM 346 OE1 GLN A 22 7.403 -9.451 -5.548 1.00 0.00 O ATOM 347 NE2 GLN A 22 6.076 -9.328 -3.822 1.00 0.00 N ATOM 0 H GLN A 22 5.783 -7.542 -1.951 1.00 0.00 H new ATOM 0 HA GLN A 22 5.261 -5.276 -3.790 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.208 -8.028 -4.495 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.120 -6.557 -5.444 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.957 -7.488 -6.502 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.823 -6.703 -5.196 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.373 -8.809 -3.296 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.395 -10.237 -3.487 1.00 0.00 H new ATOM 356 N LEU A 23 2.711 -5.550 -3.055 1.00 0.00 N ATOM 357 CA LEU A 23 1.469 -5.475 -2.246 1.00 0.00 C ATOM 358 C LEU A 23 0.226 -5.707 -3.105 1.00 0.00 C ATOM 359 O LEU A 23 0.307 -6.053 -4.260 1.00 0.00 O ATOM 360 CB LEU A 23 1.417 -4.084 -1.621 1.00 0.00 C ATOM 361 CG LEU A 23 2.062 -4.161 -0.250 1.00 0.00 C ATOM 362 CD1 LEU A 23 2.391 -2.756 0.251 1.00 0.00 C ATOM 363 CD2 LEU A 23 1.102 -4.841 0.721 1.00 0.00 C ATOM 0 H LEU A 23 2.703 -5.009 -3.920 1.00 0.00 H new ATOM 0 HA LEU A 23 1.480 -6.252 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.942 -3.364 -2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.385 -3.742 -1.538 1.00 0.00 H new ATOM 0 HG LEU A 23 2.984 -4.738 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.854 -2.820 1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.080 -2.274 -0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.475 -2.170 0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.562 -4.898 1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.179 -4.264 0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.878 -5.847 0.366 1.00 0.00 H new ATOM 375 N SER A 24 -0.928 -5.524 -2.523 1.00 0.00 N ATOM 376 CA SER A 24 -2.191 -5.709 -3.234 1.00 0.00 C ATOM 377 C SER A 24 -3.238 -4.880 -2.481 1.00 0.00 C ATOM 378 O SER A 24 -2.913 -4.156 -1.561 1.00 0.00 O ATOM 379 CB SER A 24 -2.550 -7.188 -3.215 1.00 0.00 C ATOM 380 OG SER A 24 -1.385 -7.948 -2.925 1.00 0.00 O ATOM 0 H SER A 24 -1.033 -5.244 -1.548 1.00 0.00 H new ATOM 0 HA SER A 24 -2.134 -5.389 -4.274 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.319 -7.378 -2.466 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.963 -7.487 -4.179 1.00 0.00 H new ATOM 0 HG SER A 24 -1.475 -8.361 -2.041 1.00 0.00 H new ATOM 386 N LYS A 25 -4.476 -4.962 -2.852 1.00 0.00 N ATOM 387 CA LYS A 25 -5.518 -4.160 -2.145 1.00 0.00 C ATOM 388 C LYS A 25 -5.868 -4.815 -0.805 1.00 0.00 C ATOM 389 O LYS A 25 -6.410 -4.181 0.078 1.00 0.00 O ATOM 390 CB LYS A 25 -6.772 -4.084 -3.010 1.00 0.00 C ATOM 391 CG LYS A 25 -7.363 -2.673 -2.934 1.00 0.00 C ATOM 392 CD LYS A 25 -7.988 -2.304 -4.281 1.00 0.00 C ATOM 393 CE LYS A 25 -9.165 -3.238 -4.575 1.00 0.00 C ATOM 394 NZ LYS A 25 -9.883 -2.765 -5.791 1.00 0.00 N ATOM 0 H LYS A 25 -4.819 -5.547 -3.613 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.131 -3.157 -1.963 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.529 -4.332 -4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.505 -4.815 -2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.116 -2.625 -2.147 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.585 -1.955 -2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.328 -1.269 -4.264 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.243 -2.382 -5.073 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.806 -4.256 -4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.846 -3.262 -3.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.683 -3.399 -5.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.238 -1.800 -5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.231 -2.764 -6.601 1.00 0.00 H new ATOM 408 N GLU A 26 -5.575 -6.078 -0.646 1.00 0.00 N ATOM 409 CA GLU A 26 -5.904 -6.762 0.636 1.00 0.00 C ATOM 410 C GLU A 26 -4.840 -6.447 1.686 1.00 0.00 C ATOM 411 O GLU A 26 -4.925 -6.886 2.816 1.00 0.00 O ATOM 412 CB GLU A 26 -5.957 -8.272 0.409 1.00 0.00 C ATOM 413 CG GLU A 26 -7.109 -8.605 -0.539 1.00 0.00 C ATOM 414 CD GLU A 26 -6.544 -9.173 -1.842 1.00 0.00 C ATOM 415 OE1 GLU A 26 -6.349 -10.376 -1.905 1.00 0.00 O ATOM 416 OE2 GLU A 26 -6.315 -8.395 -2.753 1.00 0.00 O ATOM 0 H GLU A 26 -5.123 -6.664 -1.348 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.872 -6.408 0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.014 -8.621 -0.011 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.093 -8.789 1.359 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.780 -9.328 -0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.697 -7.710 -0.744 1.00 0.00 H new ATOM 423 N GLU A 27 -3.831 -5.701 1.332 1.00 0.00 N ATOM 424 CA GLU A 27 -2.769 -5.387 2.336 1.00 0.00 C ATOM 425 C GLU A 27 -2.439 -3.892 2.325 1.00 0.00 C ATOM 426 O GLU A 27 -1.530 -3.449 3.000 1.00 0.00 O ATOM 427 CB GLU A 27 -1.496 -6.194 2.036 1.00 0.00 C ATOM 428 CG GLU A 27 -1.572 -6.812 0.636 1.00 0.00 C ATOM 429 CD GLU A 27 -2.428 -8.080 0.680 1.00 0.00 C ATOM 430 OE1 GLU A 27 -2.620 -8.605 1.765 1.00 0.00 O ATOM 431 OE2 GLU A 27 -2.877 -8.503 -0.372 1.00 0.00 O ATOM 0 H GLU A 27 -3.694 -5.299 0.405 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.145 -5.659 3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.622 -5.546 2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.372 -6.980 2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.000 -6.096 -0.066 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.570 -7.050 0.278 1.00 0.00 H new ATOM 438 N LEU A 28 -3.176 -3.101 1.597 1.00 0.00 N ATOM 439 CA LEU A 28 -2.908 -1.649 1.588 1.00 0.00 C ATOM 440 C LEU A 28 -3.820 -1.041 2.658 1.00 0.00 C ATOM 441 O LEU A 28 -3.465 -0.118 3.362 1.00 0.00 O ATOM 442 CB LEU A 28 -3.202 -1.121 0.181 1.00 0.00 C ATOM 443 CG LEU A 28 -3.943 0.209 0.238 1.00 0.00 C ATOM 444 CD1 LEU A 28 -3.037 1.273 0.859 1.00 0.00 C ATOM 445 CD2 LEU A 28 -4.331 0.635 -1.180 1.00 0.00 C ATOM 0 H LEU A 28 -3.952 -3.404 1.009 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.874 -1.391 1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.268 -0.997 -0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.799 -1.850 -0.367 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.841 0.099 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.568 2.224 0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.758 0.970 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.138 1.385 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.861 1.586 -1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.432 0.745 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.977 -0.123 -1.624 1.00 0.00 H new ATOM 457 N LYS A 29 -4.975 -1.615 2.812 1.00 0.00 N ATOM 458 CA LYS A 29 -5.919 -1.204 3.829 1.00 0.00 C ATOM 459 C LYS A 29 -5.267 -1.385 5.205 1.00 0.00 C ATOM 460 O LYS A 29 -5.231 -0.480 6.010 1.00 0.00 O ATOM 461 CB LYS A 29 -7.088 -2.140 3.699 1.00 0.00 C ATOM 462 CG LYS A 29 -8.006 -1.837 4.839 1.00 0.00 C ATOM 463 CD LYS A 29 -9.406 -2.337 4.520 1.00 0.00 C ATOM 464 CE LYS A 29 -10.031 -2.958 5.789 1.00 0.00 C ATOM 465 NZ LYS A 29 -11.225 -3.765 5.407 1.00 0.00 N ATOM 0 H LYS A 29 -5.300 -2.390 2.234 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.224 -0.163 3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.595 -1.997 2.745 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.759 -3.178 3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.639 -2.311 5.749 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.027 -0.763 5.025 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.025 -1.514 4.162 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.366 -3.078 3.721 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.300 -3.587 6.297 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.317 -2.173 6.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.648 -4.184 6.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.923 -3.152 4.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.938 -4.522 4.755 1.00 0.00 H new ATOM 479 N LEU A 30 -4.742 -2.561 5.473 1.00 0.00 N ATOM 480 CA LEU A 30 -4.085 -2.812 6.791 1.00 0.00 C ATOM 481 C LEU A 30 -3.072 -1.703 7.068 1.00 0.00 C ATOM 482 O LEU A 30 -2.793 -1.367 8.201 1.00 0.00 O ATOM 483 CB LEU A 30 -3.363 -4.161 6.757 1.00 0.00 C ATOM 484 CG LEU A 30 -4.311 -5.264 7.232 1.00 0.00 C ATOM 485 CD1 LEU A 30 -5.467 -5.409 6.242 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.552 -6.590 7.320 1.00 0.00 C ATOM 0 H LEU A 30 -4.742 -3.355 4.833 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.840 -2.826 7.577 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.018 -4.375 5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.479 -4.128 7.394 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.703 -5.002 8.215 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.141 -6.195 6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.011 -4.467 6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.074 -5.668 5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.229 -7.375 7.659 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.158 -6.850 6.337 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.728 -6.491 8.027 1.00 0.00 H new ATOM 498 N LEU A 31 -2.537 -1.121 6.034 1.00 0.00 N ATOM 499 CA LEU A 31 -1.562 -0.016 6.216 1.00 0.00 C ATOM 500 C LEU A 31 -2.263 1.081 6.991 1.00 0.00 C ATOM 501 O LEU A 31 -1.855 1.464 8.063 1.00 0.00 O ATOM 502 CB LEU A 31 -1.153 0.518 4.850 1.00 0.00 C ATOM 503 CG LEU A 31 0.371 0.574 4.754 1.00 0.00 C ATOM 504 CD1 LEU A 31 0.805 0.260 3.320 1.00 0.00 C ATOM 505 CD2 LEU A 31 0.855 1.974 5.135 1.00 0.00 C ATOM 0 H LEU A 31 -2.735 -1.366 5.064 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.674 -0.361 6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.553 -0.122 4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.573 1.512 4.697 1.00 0.00 H new ATOM 0 HG LEU A 31 0.804 -0.159 5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.892 0.300 3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.461 -0.737 3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.372 0.993 2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.942 2.014 5.067 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.421 2.707 4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.547 2.200 6.156 1.00 0.00 H new ATOM 517 N LEU A 32 -3.344 1.556 6.453 1.00 0.00 N ATOM 518 CA LEU A 32 -4.136 2.597 7.139 1.00 0.00 C ATOM 519 C LEU A 32 -4.449 2.114 8.539 1.00 0.00 C ATOM 520 O LEU A 32 -4.100 2.697 9.534 1.00 0.00 O ATOM 521 CB LEU A 32 -5.457 2.739 6.422 1.00 0.00 C ATOM 522 CG LEU A 32 -5.234 3.216 5.002 1.00 0.00 C ATOM 523 CD1 LEU A 32 -5.109 2.016 4.062 1.00 0.00 C ATOM 524 CD2 LEU A 32 -6.437 4.033 4.605 1.00 0.00 C ATOM 0 H LEU A 32 -3.717 1.260 5.551 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.584 3.537 7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.979 1.782 6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.094 3.445 6.955 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.320 3.806 4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.949 2.367 3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.265 1.399 4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.024 1.425 4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.311 4.394 3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.332 3.414 4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.539 4.882 5.280 1.00 0.00 H new ATOM 536 N GLN A 33 -5.147 1.041 8.595 1.00 0.00 N ATOM 537 CA GLN A 33 -5.551 0.481 9.920 1.00 0.00 C ATOM 538 C GLN A 33 -4.366 0.464 10.889 1.00 0.00 C ATOM 539 O GLN A 33 -4.546 0.479 12.090 1.00 0.00 O ATOM 540 CB GLN A 33 -6.085 -0.942 9.741 1.00 0.00 C ATOM 541 CG GLN A 33 -7.397 -0.909 8.957 1.00 0.00 C ATOM 542 CD GLN A 33 -8.508 -1.532 9.804 1.00 0.00 C ATOM 543 OE1 GLN A 33 -8.869 -1.003 10.836 1.00 0.00 O ATOM 544 NE2 GLN A 33 -9.067 -2.646 9.413 1.00 0.00 N ATOM 0 H GLN A 33 -5.466 0.511 7.784 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.332 1.117 10.336 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.351 -1.552 9.214 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.244 -1.405 10.715 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.654 0.118 8.699 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.288 -1.456 8.020 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.765 -3.091 8.547 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.806 -3.070 9.974 1.00 0.00 H new ATOM 553 N THR A 34 -3.164 0.431 10.399 1.00 0.00 N ATOM 554 CA THR A 34 -1.997 0.414 11.327 1.00 0.00 C ATOM 555 C THR A 34 -1.558 1.849 11.619 1.00 0.00 C ATOM 556 O THR A 34 -1.096 2.160 12.700 1.00 0.00 O ATOM 557 CB THR A 34 -0.846 -0.362 10.690 1.00 0.00 C ATOM 558 OG1 THR A 34 -1.211 -1.731 10.595 1.00 0.00 O ATOM 559 CG2 THR A 34 0.408 -0.223 11.554 1.00 0.00 C ATOM 0 H THR A 34 -2.935 0.415 9.405 1.00 0.00 H new ATOM 0 HA THR A 34 -2.281 -0.072 12.260 1.00 0.00 H new ATOM 0 HB THR A 34 -0.639 0.035 9.696 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.522 -2.219 10.098 1.00 0.00 H new ATOM 0 HG21 THR A 34 1.228 -0.778 11.097 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.681 0.829 11.632 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.210 -0.622 12.549 1.00 0.00 H new ATOM 567 N GLU A 35 -1.703 2.726 10.667 1.00 0.00 N ATOM 568 CA GLU A 35 -1.301 4.138 10.887 1.00 0.00 C ATOM 569 C GLU A 35 -2.550 5.030 10.849 1.00 0.00 C ATOM 570 O GLU A 35 -2.799 5.791 11.761 1.00 0.00 O ATOM 571 CB GLU A 35 -0.315 4.574 9.797 1.00 0.00 C ATOM 572 CG GLU A 35 0.514 3.373 9.334 1.00 0.00 C ATOM 573 CD GLU A 35 1.988 3.771 9.262 1.00 0.00 C ATOM 574 OE1 GLU A 35 2.378 4.655 10.006 1.00 0.00 O ATOM 575 OE2 GLU A 35 2.701 3.187 8.463 1.00 0.00 O ATOM 0 H GLU A 35 -2.084 2.523 9.743 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.816 4.232 11.859 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.857 5.000 8.953 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.342 5.355 10.180 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.384 2.540 10.025 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.169 3.034 8.357 1.00 0.00 H new ATOM 582 N PHE A 36 -3.338 4.948 9.803 1.00 0.00 N ATOM 583 CA PHE A 36 -4.557 5.803 9.731 1.00 0.00 C ATOM 584 C PHE A 36 -5.689 5.046 9.017 1.00 0.00 C ATOM 585 O PHE A 36 -5.936 5.291 7.858 1.00 0.00 O ATOM 586 CB PHE A 36 -4.252 7.069 8.919 1.00 0.00 C ATOM 587 CG PHE A 36 -2.759 7.275 8.809 1.00 0.00 C ATOM 588 CD1 PHE A 36 -2.054 6.689 7.750 1.00 0.00 C ATOM 589 CD2 PHE A 36 -2.084 8.045 9.759 1.00 0.00 C ATOM 590 CE1 PHE A 36 -0.671 6.874 7.644 1.00 0.00 C ATOM 591 CE2 PHE A 36 -0.700 8.230 9.654 1.00 0.00 C ATOM 592 CZ PHE A 36 0.007 7.646 8.596 1.00 0.00 C ATOM 0 H PHE A 36 -3.189 4.331 9.005 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.858 6.062 10.746 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.689 6.985 7.924 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.711 7.935 9.396 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.577 6.095 7.016 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.629 8.497 10.574 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.127 6.422 6.828 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.178 8.824 10.390 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.074 7.791 8.514 1.00 0.00 H new ATOM 602 N PRO A 37 -6.349 4.160 9.726 1.00 0.00 N ATOM 603 CA PRO A 37 -7.469 3.377 9.165 1.00 0.00 C ATOM 604 C PRO A 37 -8.554 4.286 8.577 1.00 0.00 C ATOM 605 O PRO A 37 -9.238 3.918 7.645 1.00 0.00 O ATOM 606 CB PRO A 37 -8.048 2.609 10.361 1.00 0.00 C ATOM 607 CG PRO A 37 -7.140 2.890 11.585 1.00 0.00 C ATOM 608 CD PRO A 37 -6.037 3.859 11.133 1.00 0.00 C ATOM 0 HA PRO A 37 -7.129 2.729 8.358 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.071 2.928 10.562 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.084 1.541 10.148 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.720 3.323 12.400 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.705 1.963 11.960 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.034 4.765 11.739 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.050 3.407 11.231 1.00 0.00 H new ATOM 616 N SER A 38 -8.747 5.449 9.131 1.00 0.00 N ATOM 617 CA SER A 38 -9.825 6.336 8.609 1.00 0.00 C ATOM 618 C SER A 38 -9.380 7.065 7.339 1.00 0.00 C ATOM 619 O SER A 38 -10.068 7.941 6.852 1.00 0.00 O ATOM 620 CB SER A 38 -10.212 7.357 9.680 1.00 0.00 C ATOM 621 OG SER A 38 -9.095 7.598 10.527 1.00 0.00 O ATOM 0 H SER A 38 -8.212 5.822 9.915 1.00 0.00 H new ATOM 0 HA SER A 38 -10.686 5.715 8.359 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.535 8.287 9.212 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.053 6.986 10.265 1.00 0.00 H new ATOM 0 HG SER A 38 -9.340 8.253 11.213 1.00 0.00 H new ATOM 627 N LEU A 39 -8.261 6.706 6.779 1.00 0.00 N ATOM 628 CA LEU A 39 -7.825 7.387 5.526 1.00 0.00 C ATOM 629 C LEU A 39 -8.594 6.789 4.348 1.00 0.00 C ATOM 630 O LEU A 39 -8.397 7.167 3.210 1.00 0.00 O ATOM 631 CB LEU A 39 -6.323 7.189 5.306 1.00 0.00 C ATOM 632 CG LEU A 39 -5.625 8.550 5.287 1.00 0.00 C ATOM 633 CD1 LEU A 39 -5.987 9.327 6.552 1.00 0.00 C ATOM 634 CD2 LEU A 39 -4.111 8.343 5.233 1.00 0.00 C ATOM 0 H LEU A 39 -7.635 5.980 7.127 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.028 8.455 5.607 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.908 6.567 6.099 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.148 6.666 4.366 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.948 9.112 4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.489 10.297 6.538 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.066 9.473 6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.664 8.766 7.429 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.612 9.312 5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.789 7.781 6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.852 7.788 4.331 1.00 0.00 H new ATOM 646 N LEU A 40 -9.475 5.862 4.613 1.00 0.00 N ATOM 647 CA LEU A 40 -10.258 5.248 3.509 1.00 0.00 C ATOM 648 C LEU A 40 -11.753 5.342 3.818 1.00 0.00 C ATOM 649 O LEU A 40 -12.443 4.348 3.911 1.00 0.00 O ATOM 650 CB LEU A 40 -9.862 3.788 3.327 1.00 0.00 C ATOM 651 CG LEU A 40 -9.581 3.136 4.681 1.00 0.00 C ATOM 652 CD1 LEU A 40 -10.797 3.295 5.598 1.00 0.00 C ATOM 653 CD2 LEU A 40 -9.315 1.656 4.452 1.00 0.00 C ATOM 0 H LEU A 40 -9.684 5.506 5.546 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.045 5.788 2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.660 3.250 2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.977 3.721 2.694 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.719 3.611 5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.590 2.828 6.561 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.005 4.355 5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.663 2.815 5.141 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.112 1.171 5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.189 1.196 3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.453 1.539 3.795 1.00 0.00 H new ATOM 665 N LYS A 41 -12.261 6.532 3.973 1.00 0.00 N ATOM 666 CA LYS A 41 -13.715 6.683 4.272 1.00 0.00 C ATOM 667 C LYS A 41 -14.361 7.620 3.248 1.00 0.00 C ATOM 668 O LYS A 41 -15.247 8.388 3.567 1.00 0.00 O ATOM 669 CB LYS A 41 -13.914 7.247 5.688 1.00 0.00 C ATOM 670 CG LYS A 41 -12.827 8.278 6.023 1.00 0.00 C ATOM 671 CD LYS A 41 -13.255 9.660 5.525 1.00 0.00 C ATOM 672 CE LYS A 41 -13.771 10.489 6.704 1.00 0.00 C ATOM 673 NZ LYS A 41 -15.150 10.046 7.058 1.00 0.00 N ATOM 0 H LYS A 41 -11.736 7.404 3.906 1.00 0.00 H new ATOM 0 HA LYS A 41 -14.188 5.702 4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.897 7.711 5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.887 6.435 6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.658 8.305 7.099 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.884 7.990 5.559 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.413 10.165 5.052 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.033 9.561 4.768 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.109 10.372 7.562 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.773 11.548 6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.546 10.684 7.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.750 10.067 6.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.117 9.077 7.435 1.00 0.00 H new ATOM 687 N GLY A 42 -13.934 7.556 2.016 1.00 0.00 N ATOM 688 CA GLY A 42 -14.529 8.437 0.969 1.00 0.00 C ATOM 689 C GLY A 42 -14.458 7.733 -0.386 1.00 0.00 C ATOM 690 O GLY A 42 -15.141 6.757 -0.624 1.00 0.00 O ATOM 0 H GLY A 42 -13.198 6.931 1.688 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.565 8.668 1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.992 9.385 0.927 1.00 0.00 H new ATOM 694 N MET A 43 -13.636 8.216 -1.277 1.00 0.00 N ATOM 695 CA MET A 43 -13.528 7.563 -2.618 1.00 0.00 C ATOM 696 C MET A 43 -12.081 7.642 -3.089 1.00 0.00 C ATOM 697 O MET A 43 -11.589 6.762 -3.769 1.00 0.00 O ATOM 698 CB MET A 43 -14.369 8.301 -3.667 1.00 0.00 C ATOM 699 CG MET A 43 -15.353 9.270 -2.997 1.00 0.00 C ATOM 700 SD MET A 43 -16.910 8.413 -2.650 1.00 0.00 S ATOM 701 CE MET A 43 -17.616 9.666 -1.553 1.00 0.00 C ATOM 0 H MET A 43 -13.037 9.030 -1.138 1.00 0.00 H new ATOM 0 HA MET A 43 -13.877 6.535 -2.516 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.714 8.851 -4.343 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.918 7.579 -4.272 1.00 0.00 H new ATOM 0 HG2 MET A 43 -14.925 9.657 -2.072 1.00 0.00 H new ATOM 0 HG3 MET A 43 -15.535 10.126 -3.646 1.00 0.00 H new ATOM 0 HE1 MET A 43 -18.598 9.339 -1.212 1.00 0.00 H new ATOM 0 HE2 MET A 43 -16.961 9.807 -0.693 1.00 0.00 H new ATOM 0 HE3 MET A 43 -17.714 10.608 -2.092 1.00 0.00 H new ATOM 711 N SER A 44 -11.408 8.715 -2.772 1.00 0.00 N ATOM 712 CA SER A 44 -10.012 8.875 -3.242 1.00 0.00 C ATOM 713 C SER A 44 -9.032 8.125 -2.330 1.00 0.00 C ATOM 714 O SER A 44 -7.891 8.518 -2.186 1.00 0.00 O ATOM 715 CB SER A 44 -9.650 10.361 -3.260 1.00 0.00 C ATOM 716 OG SER A 44 -10.045 10.955 -2.031 1.00 0.00 O ATOM 0 H SER A 44 -11.769 9.485 -2.208 1.00 0.00 H new ATOM 0 HA SER A 44 -9.937 8.457 -4.246 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.577 10.484 -3.408 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.146 10.858 -4.094 1.00 0.00 H new ATOM 0 HG SER A 44 -9.813 11.907 -2.038 1.00 0.00 H new ATOM 722 N THR A 45 -9.453 7.054 -1.715 1.00 0.00 N ATOM 723 CA THR A 45 -8.528 6.298 -0.824 1.00 0.00 C ATOM 724 C THR A 45 -7.943 5.111 -1.597 1.00 0.00 C ATOM 725 O THR A 45 -7.800 5.169 -2.800 1.00 0.00 O ATOM 726 CB THR A 45 -9.300 5.808 0.401 1.00 0.00 C ATOM 727 OG1 THR A 45 -8.385 5.401 1.411 1.00 0.00 O ATOM 728 CG2 THR A 45 -10.196 4.636 0.005 1.00 0.00 C ATOM 0 H THR A 45 -10.395 6.670 -1.791 1.00 0.00 H new ATOM 0 HA THR A 45 -7.713 6.942 -0.494 1.00 0.00 H new ATOM 0 HB THR A 45 -9.920 6.617 0.788 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.110 6.181 1.937 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.746 4.287 0.879 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.900 4.959 -0.762 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.582 3.824 -0.385 1.00 0.00 H new ATOM 736 N LEU A 46 -7.605 4.038 -0.919 1.00 0.00 N ATOM 737 CA LEU A 46 -7.032 2.850 -1.623 1.00 0.00 C ATOM 738 C LEU A 46 -7.758 2.636 -2.948 1.00 0.00 C ATOM 739 O LEU A 46 -7.203 2.144 -3.909 1.00 0.00 O ATOM 740 CB LEU A 46 -7.193 1.606 -0.742 1.00 0.00 C ATOM 741 CG LEU A 46 -8.670 1.230 -0.598 1.00 0.00 C ATOM 742 CD1 LEU A 46 -8.822 -0.284 -0.757 1.00 0.00 C ATOM 743 CD2 LEU A 46 -9.171 1.646 0.787 1.00 0.00 C ATOM 0 H LEU A 46 -7.702 3.936 0.091 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.974 3.023 -1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.642 0.773 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.763 1.793 0.242 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.253 1.742 -1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.872 -0.557 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.463 -0.584 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.239 -0.791 0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.223 1.378 0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.590 1.133 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.058 2.724 0.906 1.00 0.00 H new ATOM 755 N ASP A 47 -8.998 3.008 -2.995 1.00 0.00 N ATOM 756 CA ASP A 47 -9.794 2.844 -4.238 1.00 0.00 C ATOM 757 C ASP A 47 -9.067 3.483 -5.418 1.00 0.00 C ATOM 758 O ASP A 47 -8.622 2.808 -6.326 1.00 0.00 O ATOM 759 CB ASP A 47 -11.140 3.518 -4.051 1.00 0.00 C ATOM 760 CG ASP A 47 -12.214 2.465 -3.777 1.00 0.00 C ATOM 761 OD1 ASP A 47 -11.971 1.597 -2.955 1.00 0.00 O ATOM 762 OD2 ASP A 47 -13.263 2.543 -4.395 1.00 0.00 O ATOM 0 H ASP A 47 -9.504 3.426 -2.214 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.930 1.782 -4.442 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.091 4.225 -3.222 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.398 4.090 -4.943 1.00 0.00 H new ATOM 767 N GLU A 48 -8.933 4.779 -5.408 1.00 0.00 N ATOM 768 CA GLU A 48 -8.221 5.458 -6.527 1.00 0.00 C ATOM 769 C GLU A 48 -6.724 5.400 -6.258 1.00 0.00 C ATOM 770 O GLU A 48 -5.920 5.870 -7.034 1.00 0.00 O ATOM 771 CB GLU A 48 -8.665 6.913 -6.622 1.00 0.00 C ATOM 772 CG GLU A 48 -9.330 7.140 -7.977 1.00 0.00 C ATOM 773 CD GLU A 48 -10.022 8.504 -7.986 1.00 0.00 C ATOM 774 OE1 GLU A 48 -11.099 8.605 -7.420 1.00 0.00 O ATOM 775 OE2 GLU A 48 -9.463 9.427 -8.556 1.00 0.00 O ATOM 0 H GLU A 48 -9.284 5.397 -4.676 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.454 4.958 -7.467 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.361 7.148 -5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.808 7.577 -6.507 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.585 7.093 -8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.056 6.351 -8.174 1.00 0.00 H new ATOM 782 N LEU A 49 -6.353 4.805 -5.166 1.00 0.00 N ATOM 783 CA LEU A 49 -4.916 4.675 -4.827 1.00 0.00 C ATOM 784 C LEU A 49 -4.427 3.337 -5.376 1.00 0.00 C ATOM 785 O LEU A 49 -3.247 3.051 -5.418 1.00 0.00 O ATOM 786 CB LEU A 49 -4.773 4.696 -3.309 1.00 0.00 C ATOM 787 CG LEU A 49 -3.667 5.677 -2.909 1.00 0.00 C ATOM 788 CD1 LEU A 49 -3.803 6.029 -1.426 1.00 0.00 C ATOM 789 CD2 LEU A 49 -2.301 5.034 -3.157 1.00 0.00 C ATOM 0 H LEU A 49 -6.993 4.398 -4.485 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.332 5.490 -5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.717 4.989 -2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.537 3.697 -2.942 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.756 6.585 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.015 6.727 -1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.775 6.489 -1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.716 5.122 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.513 5.732 -2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.213 4.125 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.202 4.786 -4.214 1.00 0.00 H new ATOM 801 N PHE A 50 -5.351 2.516 -5.795 1.00 0.00 N ATOM 802 CA PHE A 50 -4.999 1.183 -6.348 1.00 0.00 C ATOM 803 C PHE A 50 -4.514 1.328 -7.792 1.00 0.00 C ATOM 804 O PHE A 50 -3.490 0.795 -8.169 1.00 0.00 O ATOM 805 CB PHE A 50 -6.252 0.307 -6.314 1.00 0.00 C ATOM 806 CG PHE A 50 -6.025 -0.948 -7.124 1.00 0.00 C ATOM 807 CD1 PHE A 50 -4.885 -1.732 -6.904 1.00 0.00 C ATOM 808 CD2 PHE A 50 -6.958 -1.325 -8.097 1.00 0.00 C ATOM 809 CE1 PHE A 50 -4.680 -2.894 -7.657 1.00 0.00 C ATOM 810 CE2 PHE A 50 -6.752 -2.487 -8.851 1.00 0.00 C ATOM 811 CZ PHE A 50 -5.614 -3.270 -8.630 1.00 0.00 C ATOM 0 H PHE A 50 -6.350 2.719 -5.776 1.00 0.00 H new ATOM 0 HA PHE A 50 -4.203 0.731 -5.756 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -6.496 0.046 -5.284 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -7.103 0.859 -6.713 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.165 -1.440 -6.154 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.836 -0.720 -8.266 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.802 -3.500 -7.488 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.471 -2.778 -9.602 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.456 -4.166 -9.211 1.00 0.00 H new ATOM 821 N GLU A 51 -5.244 2.043 -8.604 1.00 0.00 N ATOM 822 CA GLU A 51 -4.826 2.219 -10.024 1.00 0.00 C ATOM 823 C GLU A 51 -3.730 3.283 -10.107 1.00 0.00 C ATOM 824 O GLU A 51 -2.839 3.209 -10.931 1.00 0.00 O ATOM 825 CB GLU A 51 -6.029 2.669 -10.854 1.00 0.00 C ATOM 826 CG GLU A 51 -5.593 2.884 -12.304 1.00 0.00 C ATOM 827 CD GLU A 51 -5.494 4.384 -12.592 1.00 0.00 C ATOM 828 OE1 GLU A 51 -4.530 4.989 -12.152 1.00 0.00 O ATOM 829 OE2 GLU A 51 -6.383 4.901 -13.247 1.00 0.00 O ATOM 0 H GLU A 51 -6.112 2.513 -8.346 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.446 1.273 -10.410 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.818 1.919 -10.807 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.442 3.592 -10.446 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.630 2.405 -12.480 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.308 2.419 -12.982 1.00 0.00 H new ATOM 836 N GLU A 52 -3.792 4.275 -9.264 1.00 0.00 N ATOM 837 CA GLU A 52 -2.758 5.346 -9.297 1.00 0.00 C ATOM 838 C GLU A 52 -1.374 4.733 -9.080 1.00 0.00 C ATOM 839 O GLU A 52 -0.367 5.324 -9.417 1.00 0.00 O ATOM 840 CB GLU A 52 -3.042 6.359 -8.188 1.00 0.00 C ATOM 841 CG GLU A 52 -2.822 7.773 -8.722 1.00 0.00 C ATOM 842 CD GLU A 52 -2.039 8.587 -7.691 1.00 0.00 C ATOM 843 OE1 GLU A 52 -1.166 8.019 -7.058 1.00 0.00 O ATOM 844 OE2 GLU A 52 -2.328 9.764 -7.551 1.00 0.00 O ATOM 0 H GLU A 52 -4.514 4.391 -8.553 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.785 5.844 -10.266 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.067 6.248 -7.833 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.388 6.175 -7.336 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.276 7.737 -9.665 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.781 8.250 -8.927 1.00 0.00 H new ATOM 851 N LEU A 53 -1.310 3.560 -8.513 1.00 0.00 N ATOM 852 CA LEU A 53 0.017 2.927 -8.273 1.00 0.00 C ATOM 853 C LEU A 53 0.340 1.944 -9.404 1.00 0.00 C ATOM 854 O LEU A 53 0.947 2.304 -10.392 1.00 0.00 O ATOM 855 CB LEU A 53 -0.007 2.191 -6.932 1.00 0.00 C ATOM 856 CG LEU A 53 -0.252 3.196 -5.805 1.00 0.00 C ATOM 857 CD1 LEU A 53 -0.063 2.505 -4.454 1.00 0.00 C ATOM 858 CD2 LEU A 53 0.744 4.354 -5.930 1.00 0.00 C ATOM 0 H LEU A 53 -2.116 3.014 -8.207 1.00 0.00 H new ATOM 0 HA LEU A 53 0.787 3.698 -8.248 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.790 1.433 -6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.938 1.672 -6.772 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.269 3.581 -5.876 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.238 3.221 -3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.770 1.681 -4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.954 2.120 -4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.571 5.071 -5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.761 3.968 -5.859 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.610 4.847 -6.893 1.00 0.00 H new ATOM 870 N ASP A 54 -0.056 0.703 -9.268 1.00 0.00 N ATOM 871 CA ASP A 54 0.238 -0.292 -10.340 1.00 0.00 C ATOM 872 C ASP A 54 -0.048 0.331 -11.702 1.00 0.00 C ATOM 873 O ASP A 54 0.604 0.042 -12.686 1.00 0.00 O ATOM 874 CB ASP A 54 -0.639 -1.533 -10.147 1.00 0.00 C ATOM 875 CG ASP A 54 0.056 -2.748 -10.767 1.00 0.00 C ATOM 876 OD1 ASP A 54 1.030 -2.549 -11.474 1.00 0.00 O ATOM 877 OD2 ASP A 54 -0.397 -3.854 -10.524 1.00 0.00 O ATOM 0 H ASP A 54 -0.568 0.339 -8.464 1.00 0.00 H new ATOM 0 HA ASP A 54 1.287 -0.583 -10.287 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.817 -1.705 -9.085 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.612 -1.380 -10.613 1.00 0.00 H new ATOM 882 N LYS A 55 -1.015 1.194 -11.757 1.00 0.00 N ATOM 883 CA LYS A 55 -1.359 1.863 -13.045 1.00 0.00 C ATOM 884 C LYS A 55 -1.604 0.818 -14.137 1.00 0.00 C ATOM 885 O LYS A 55 -1.590 1.126 -15.311 1.00 0.00 O ATOM 886 CB LYS A 55 -0.203 2.769 -13.465 1.00 0.00 C ATOM 887 CG LYS A 55 -0.270 4.080 -12.682 1.00 0.00 C ATOM 888 CD LYS A 55 0.795 5.049 -13.211 1.00 0.00 C ATOM 889 CE LYS A 55 2.209 4.428 -13.053 1.00 0.00 C ATOM 890 NZ LYS A 55 3.175 5.188 -13.897 1.00 0.00 N ATOM 0 H LYS A 55 -1.590 1.471 -10.961 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.266 2.452 -12.908 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.749 2.271 -13.280 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.255 2.970 -14.535 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.261 4.524 -12.780 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.109 3.890 -11.621 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.604 5.274 -14.260 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.741 5.992 -12.668 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.518 4.459 -12.008 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.194 3.379 -13.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.124 4.776 -13.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.881 5.137 -14.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.195 6.182 -13.593 1.00 0.00 H new ATOM 904 N ASN A 56 -1.825 -0.416 -13.770 1.00 0.00 N ATOM 905 CA ASN A 56 -2.064 -1.458 -14.808 1.00 0.00 C ATOM 906 C ASN A 56 -3.316 -2.268 -14.464 1.00 0.00 C ATOM 907 O ASN A 56 -3.858 -2.969 -15.297 1.00 0.00 O ATOM 908 CB ASN A 56 -0.858 -2.397 -14.876 1.00 0.00 C ATOM 909 CG ASN A 56 -1.142 -3.513 -15.879 1.00 0.00 C ATOM 910 OD1 ASN A 56 -0.642 -3.496 -16.988 1.00 0.00 O ATOM 911 ND2 ASN A 56 -1.926 -4.489 -15.530 1.00 0.00 N ATOM 0 H ASN A 56 -1.850 -0.745 -12.805 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.208 -0.970 -15.772 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.032 -1.843 -15.174 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.656 -2.820 -13.892 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.124 -5.244 -16.187 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.343 -4.500 -14.599 1.00 0.00 H new ATOM 918 N GLY A 57 -3.783 -2.187 -13.248 1.00 0.00 N ATOM 919 CA GLY A 57 -4.994 -2.964 -12.869 1.00 0.00 C ATOM 920 C GLY A 57 -4.625 -4.443 -12.761 1.00 0.00 C ATOM 921 O GLY A 57 -5.268 -5.299 -13.335 1.00 0.00 O ATOM 0 H GLY A 57 -3.379 -1.618 -12.504 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.389 -2.605 -11.919 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.778 -2.825 -13.613 1.00 0.00 H new ATOM 925 N ASP A 58 -3.599 -4.747 -12.017 1.00 0.00 N ATOM 926 CA ASP A 58 -3.190 -6.167 -11.856 1.00 0.00 C ATOM 927 C ASP A 58 -3.515 -6.602 -10.434 1.00 0.00 C ATOM 928 O ASP A 58 -3.513 -7.774 -10.114 1.00 0.00 O ATOM 929 CB ASP A 58 -1.685 -6.310 -12.102 1.00 0.00 C ATOM 930 CG ASP A 58 -1.439 -7.386 -13.162 1.00 0.00 C ATOM 931 OD1 ASP A 58 -2.387 -7.756 -13.834 1.00 0.00 O ATOM 932 OD2 ASP A 58 -0.306 -7.821 -13.284 1.00 0.00 O ATOM 0 H ASP A 58 -3.026 -4.071 -11.513 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.723 -6.789 -12.575 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.268 -5.358 -12.431 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.178 -6.576 -11.174 1.00 0.00 H new ATOM 937 N GLY A 59 -3.804 -5.662 -9.576 1.00 0.00 N ATOM 938 CA GLY A 59 -4.139 -6.020 -8.176 1.00 0.00 C ATOM 939 C GLY A 59 -2.857 -6.136 -7.347 1.00 0.00 C ATOM 940 O GLY A 59 -2.827 -6.791 -6.325 1.00 0.00 O ATOM 0 H GLY A 59 -3.822 -4.664 -9.787 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.794 -5.263 -7.745 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.684 -6.964 -8.153 1.00 0.00 H new ATOM 944 N GLU A 60 -1.796 -5.508 -7.776 1.00 0.00 N ATOM 945 CA GLU A 60 -0.524 -5.592 -7.005 1.00 0.00 C ATOM 946 C GLU A 60 0.166 -4.224 -6.990 1.00 0.00 C ATOM 947 O GLU A 60 -0.089 -3.379 -7.826 1.00 0.00 O ATOM 948 CB GLU A 60 0.396 -6.625 -7.661 1.00 0.00 C ATOM 949 CG GLU A 60 1.814 -6.488 -7.098 1.00 0.00 C ATOM 950 CD GLU A 60 2.629 -7.729 -7.466 1.00 0.00 C ATOM 951 OE1 GLU A 60 2.033 -8.783 -7.606 1.00 0.00 O ATOM 952 OE2 GLU A 60 3.835 -7.603 -7.602 1.00 0.00 O ATOM 0 H GLU A 60 -1.755 -4.943 -8.624 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.740 -5.893 -5.980 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.018 -7.631 -7.478 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.408 -6.481 -8.741 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.291 -5.594 -7.499 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.777 -6.371 -6.015 1.00 0.00 H new ATOM 959 N VAL A 61 1.050 -4.007 -6.053 1.00 0.00 N ATOM 960 CA VAL A 61 1.770 -2.707 -5.986 1.00 0.00 C ATOM 961 C VAL A 61 3.212 -2.984 -5.556 1.00 0.00 C ATOM 962 O VAL A 61 3.494 -3.262 -4.410 1.00 0.00 O ATOM 963 CB VAL A 61 1.059 -1.766 -4.996 1.00 0.00 C ATOM 964 CG1 VAL A 61 2.072 -0.960 -4.167 1.00 0.00 C ATOM 965 CG2 VAL A 61 0.183 -0.796 -5.791 1.00 0.00 C ATOM 0 H VAL A 61 1.304 -4.679 -5.329 1.00 0.00 H new ATOM 0 HA VAL A 61 1.774 -2.216 -6.959 1.00 0.00 H new ATOM 0 HB VAL A 61 0.458 -2.366 -4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.539 -0.305 -3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.705 -1.644 -3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.691 -0.359 -4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.329 -0.121 -5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.807 -0.217 -6.472 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.554 -1.358 -6.364 1.00 0.00 H new ATOM 975 N SER A 62 4.119 -2.913 -6.477 1.00 0.00 N ATOM 976 CA SER A 62 5.535 -3.191 -6.157 1.00 0.00 C ATOM 977 C SER A 62 6.133 -2.004 -5.392 1.00 0.00 C ATOM 978 O SER A 62 5.534 -0.956 -5.270 1.00 0.00 O ATOM 979 CB SER A 62 6.290 -3.403 -7.475 1.00 0.00 C ATOM 980 OG SER A 62 5.888 -2.399 -8.406 1.00 0.00 O ATOM 0 H SER A 62 3.937 -2.671 -7.451 1.00 0.00 H new ATOM 0 HA SER A 62 5.617 -4.081 -5.533 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.365 -3.351 -7.306 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.078 -4.394 -7.875 1.00 0.00 H new ATOM 0 HG SER A 62 6.367 -2.526 -9.251 1.00 0.00 H new ATOM 986 N PHE A 63 7.312 -2.182 -4.873 1.00 0.00 N ATOM 987 CA PHE A 63 7.996 -1.104 -4.096 1.00 0.00 C ATOM 988 C PHE A 63 8.229 0.104 -5.011 1.00 0.00 C ATOM 989 O PHE A 63 8.580 1.177 -4.564 1.00 0.00 O ATOM 990 CB PHE A 63 9.343 -1.663 -3.613 1.00 0.00 C ATOM 991 CG PHE A 63 9.819 -1.037 -2.311 1.00 0.00 C ATOM 992 CD1 PHE A 63 8.980 -0.955 -1.185 1.00 0.00 C ATOM 993 CD2 PHE A 63 11.140 -0.579 -2.222 1.00 0.00 C ATOM 994 CE1 PHE A 63 9.466 -0.419 0.015 1.00 0.00 C ATOM 995 CE2 PHE A 63 11.621 -0.036 -1.024 1.00 0.00 C ATOM 996 CZ PHE A 63 10.785 0.043 0.095 1.00 0.00 C ATOM 0 H PHE A 63 7.846 -3.047 -4.954 1.00 0.00 H new ATOM 0 HA PHE A 63 7.391 -0.789 -3.246 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.255 -2.741 -3.479 1.00 0.00 H new ATOM 0 HB3 PHE A 63 10.095 -1.498 -4.384 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.960 -1.305 -1.245 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.791 -0.645 -3.081 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.822 -0.362 0.880 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.638 0.322 -0.964 1.00 0.00 H new ATOM 0 HZ PHE A 63 11.157 0.460 1.019 1.00 0.00 H new ATOM 1006 N GLU A 64 8.040 -0.069 -6.295 1.00 0.00 N ATOM 1007 CA GLU A 64 8.253 1.057 -7.248 1.00 0.00 C ATOM 1008 C GLU A 64 7.077 2.042 -7.184 1.00 0.00 C ATOM 1009 O GLU A 64 7.262 3.241 -7.244 1.00 0.00 O ATOM 1010 CB GLU A 64 8.377 0.503 -8.668 1.00 0.00 C ATOM 1011 CG GLU A 64 9.074 1.535 -9.557 1.00 0.00 C ATOM 1012 CD GLU A 64 8.234 1.779 -10.810 1.00 0.00 C ATOM 1013 OE1 GLU A 64 7.614 0.838 -11.276 1.00 0.00 O ATOM 1014 OE2 GLU A 64 8.223 2.904 -11.284 1.00 0.00 O ATOM 0 H GLU A 64 7.746 -0.947 -6.724 1.00 0.00 H new ATOM 0 HA GLU A 64 9.168 1.583 -6.975 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.944 -0.428 -8.659 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.390 0.271 -9.067 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.211 2.468 -9.011 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.066 1.180 -9.835 1.00 0.00 H new ATOM 1021 N GLU A 65 5.871 1.552 -7.048 1.00 0.00 N ATOM 1022 CA GLU A 65 4.696 2.477 -6.967 1.00 0.00 C ATOM 1023 C GLU A 65 4.368 2.699 -5.495 1.00 0.00 C ATOM 1024 O GLU A 65 3.675 3.625 -5.124 1.00 0.00 O ATOM 1025 CB GLU A 65 3.462 1.889 -7.668 1.00 0.00 C ATOM 1026 CG GLU A 65 3.834 0.712 -8.575 1.00 0.00 C ATOM 1027 CD GLU A 65 3.175 -0.557 -8.044 1.00 0.00 C ATOM 1028 OE1 GLU A 65 3.179 -0.734 -6.840 1.00 0.00 O ATOM 1029 OE2 GLU A 65 2.676 -1.327 -8.848 1.00 0.00 O ATOM 0 H GLU A 65 5.648 0.558 -6.990 1.00 0.00 H new ATOM 0 HA GLU A 65 4.952 3.412 -7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.741 1.559 -6.920 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.975 2.665 -8.259 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.506 0.906 -9.596 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.917 0.589 -8.606 1.00 0.00 H new ATOM 1036 N PHE A 66 4.885 1.847 -4.659 1.00 0.00 N ATOM 1037 CA PHE A 66 4.654 1.962 -3.193 1.00 0.00 C ATOM 1038 C PHE A 66 5.446 3.167 -2.638 1.00 0.00 C ATOM 1039 O PHE A 66 5.460 3.422 -1.450 1.00 0.00 O ATOM 1040 CB PHE A 66 5.142 0.654 -2.552 1.00 0.00 C ATOM 1041 CG PHE A 66 4.599 0.517 -1.155 1.00 0.00 C ATOM 1042 CD1 PHE A 66 3.276 0.108 -0.953 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.410 0.822 -0.061 1.00 0.00 C ATOM 1044 CE1 PHE A 66 2.761 0.009 0.343 1.00 0.00 C ATOM 1045 CE2 PHE A 66 4.901 0.717 1.232 1.00 0.00 C ATOM 1046 CZ PHE A 66 3.574 0.317 1.439 1.00 0.00 C ATOM 0 H PHE A 66 5.471 1.059 -4.935 1.00 0.00 H new ATOM 0 HA PHE A 66 3.599 2.121 -2.970 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.824 -0.195 -3.157 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.232 0.638 -2.528 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.651 -0.132 -1.801 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.431 1.139 -0.216 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.739 -0.304 0.497 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.532 0.945 2.078 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.180 0.247 2.442 1.00 0.00 H new ATOM 1056 N GLN A 67 6.102 3.905 -3.502 1.00 0.00 N ATOM 1057 CA GLN A 67 6.900 5.100 -3.060 1.00 0.00 C ATOM 1058 C GLN A 67 5.990 6.308 -2.908 1.00 0.00 C ATOM 1059 O GLN A 67 6.164 7.135 -2.043 1.00 0.00 O ATOM 1060 CB GLN A 67 7.978 5.419 -4.095 1.00 0.00 C ATOM 1061 CG GLN A 67 8.828 4.180 -4.342 1.00 0.00 C ATOM 1062 CD GLN A 67 9.846 4.019 -3.200 1.00 0.00 C ATOM 1063 OE1 GLN A 67 10.486 4.978 -2.816 1.00 0.00 O ATOM 1064 NE2 GLN A 67 10.031 2.849 -2.626 1.00 0.00 N ATOM 0 H GLN A 67 6.120 3.730 -4.507 1.00 0.00 H new ATOM 0 HA GLN A 67 7.366 4.871 -2.102 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.517 5.748 -5.026 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.604 6.238 -3.742 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.192 3.297 -4.404 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.347 4.267 -5.296 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.499 2.037 -2.940 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.706 2.754 -1.867 1.00 0.00 H new ATOM 1073 N VAL A 68 5.027 6.423 -3.752 1.00 0.00 N ATOM 1074 CA VAL A 68 4.104 7.587 -3.644 1.00 0.00 C ATOM 1075 C VAL A 68 3.552 7.638 -2.213 1.00 0.00 C ATOM 1076 O VAL A 68 3.107 8.663 -1.734 1.00 0.00 O ATOM 1077 CB VAL A 68 2.961 7.418 -4.641 1.00 0.00 C ATOM 1078 CG1 VAL A 68 2.341 8.783 -4.925 1.00 0.00 C ATOM 1079 CG2 VAL A 68 3.510 6.824 -5.941 1.00 0.00 C ATOM 0 H VAL A 68 4.829 5.772 -4.512 1.00 0.00 H new ATOM 0 HA VAL A 68 4.632 8.514 -3.867 1.00 0.00 H new ATOM 0 HB VAL A 68 2.204 6.751 -4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.523 8.670 -5.637 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.958 9.209 -3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.098 9.446 -5.344 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.697 6.701 -6.657 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.262 7.494 -6.358 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.962 5.854 -5.735 1.00 0.00 H new ATOM 1089 N LEU A 69 3.594 6.524 -1.535 1.00 0.00 N ATOM 1090 CA LEU A 69 3.098 6.437 -0.125 1.00 0.00 C ATOM 1091 C LEU A 69 4.245 6.745 0.826 1.00 0.00 C ATOM 1092 O LEU A 69 4.044 7.165 1.940 1.00 0.00 O ATOM 1093 CB LEU A 69 2.683 4.986 0.128 1.00 0.00 C ATOM 1094 CG LEU A 69 1.219 4.854 0.588 1.00 0.00 C ATOM 1095 CD1 LEU A 69 1.178 4.836 2.111 1.00 0.00 C ATOM 1096 CD2 LEU A 69 0.359 6.012 0.071 1.00 0.00 C ATOM 0 H LEU A 69 3.960 5.647 -1.906 1.00 0.00 H new ATOM 0 HA LEU A 69 2.274 7.133 0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.825 4.408 -0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.337 4.553 0.885 1.00 0.00 H new ATOM 0 HG LEU A 69 0.814 3.927 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.145 4.743 2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.757 3.990 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.603 5.763 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.667 5.885 0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.754 6.955 0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.378 6.021 -1.019 1.00 0.00 H new ATOM 1108 N VAL A 70 5.442 6.488 0.407 1.00 0.00 N ATOM 1109 CA VAL A 70 6.604 6.728 1.291 1.00 0.00 C ATOM 1110 C VAL A 70 6.617 8.188 1.751 1.00 0.00 C ATOM 1111 O VAL A 70 7.087 8.501 2.822 1.00 0.00 O ATOM 1112 CB VAL A 70 7.901 6.430 0.534 1.00 0.00 C ATOM 1113 CG1 VAL A 70 8.146 7.510 -0.521 1.00 0.00 C ATOM 1114 CG2 VAL A 70 9.071 6.439 1.508 1.00 0.00 C ATOM 0 H VAL A 70 5.668 6.119 -0.517 1.00 0.00 H new ATOM 0 HA VAL A 70 6.527 6.073 2.159 1.00 0.00 H new ATOM 0 HB VAL A 70 7.813 5.454 0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.070 7.293 -1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.314 7.526 -1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.229 8.482 -0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.995 6.227 0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.143 7.419 1.981 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.914 5.678 2.272 1.00 0.00 H new ATOM 1124 N LYS A 71 6.102 9.087 0.958 1.00 0.00 N ATOM 1125 CA LYS A 71 6.092 10.516 1.378 1.00 0.00 C ATOM 1126 C LYS A 71 4.783 10.789 2.113 1.00 0.00 C ATOM 1127 O LYS A 71 4.284 11.897 2.138 1.00 0.00 O ATOM 1128 CB LYS A 71 6.201 11.423 0.145 1.00 0.00 C ATOM 1129 CG LYS A 71 4.858 11.469 -0.588 1.00 0.00 C ATOM 1130 CD LYS A 71 5.082 11.879 -2.046 1.00 0.00 C ATOM 1131 CE LYS A 71 4.277 13.145 -2.347 1.00 0.00 C ATOM 1132 NZ LYS A 71 4.764 13.755 -3.617 1.00 0.00 N ATOM 0 H LYS A 71 5.691 8.896 0.044 1.00 0.00 H new ATOM 0 HA LYS A 71 6.939 10.722 2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.495 12.428 0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.978 11.051 -0.523 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.375 10.493 -0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.190 12.178 -0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.142 12.057 -2.226 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.776 11.073 -2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.217 12.903 -2.430 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.378 13.856 -1.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.217 14.615 -3.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.770 13.999 -3.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.645 13.076 -4.396 1.00 0.00 H new ATOM 1146 N LYS A 72 4.218 9.771 2.699 1.00 0.00 N ATOM 1147 CA LYS A 72 2.948 9.927 3.417 1.00 0.00 C ATOM 1148 C LYS A 72 3.150 9.628 4.903 1.00 0.00 C ATOM 1149 O LYS A 72 2.229 9.731 5.690 1.00 0.00 O ATOM 1150 CB LYS A 72 1.946 8.937 2.840 1.00 0.00 C ATOM 1151 CG LYS A 72 0.768 9.706 2.275 1.00 0.00 C ATOM 1152 CD LYS A 72 1.274 10.783 1.313 1.00 0.00 C ATOM 1153 CE LYS A 72 0.143 11.206 0.376 1.00 0.00 C ATOM 1154 NZ LYS A 72 -1.132 11.295 1.143 1.00 0.00 N ATOM 0 H LYS A 72 4.599 8.825 2.704 1.00 0.00 H new ATOM 0 HA LYS A 72 2.584 10.948 3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.415 8.338 2.059 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.610 8.246 3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.093 9.027 1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.198 10.164 3.083 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.637 11.644 1.874 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.116 10.402 0.735 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.374 12.169 -0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.041 10.486 -0.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.803 11.902 0.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.539 10.344 1.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.945 11.701 2.082 1.00 0.00 H new ATOM 1168 N ILE A 73 4.326 9.205 5.299 1.00 0.00 N ATOM 1169 CA ILE A 73 4.520 8.848 6.730 1.00 0.00 C ATOM 1170 C ILE A 73 5.453 9.767 7.455 1.00 0.00 C ATOM 1171 O ILE A 73 5.195 10.187 8.566 1.00 0.00 O ATOM 1172 CB ILE A 73 5.227 7.515 6.829 1.00 0.00 C ATOM 1173 CG1 ILE A 73 5.085 6.745 5.532 1.00 0.00 C ATOM 1174 CG2 ILE A 73 4.694 6.756 8.014 1.00 0.00 C ATOM 1175 CD1 ILE A 73 3.622 6.647 5.106 1.00 0.00 C ATOM 0 H ILE A 73 5.145 9.094 4.701 1.00 0.00 H new ATOM 0 HA ILE A 73 3.519 8.877 7.160 1.00 0.00 H new ATOM 0 HB ILE A 73 6.295 7.668 6.985 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.662 7.237 4.749 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.499 5.744 5.653 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.202 5.794 8.088 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.870 7.331 8.923 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.623 6.593 7.890 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.552 6.089 4.172 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.051 6.133 5.880 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.217 7.649 4.962 1.00 0.00 H new ATOM 1187 N SER A 74 6.604 9.941 6.896 1.00 0.00 N ATOM 1188 CA SER A 74 7.646 10.675 7.605 1.00 0.00 C ATOM 1189 C SER A 74 7.053 11.847 8.399 1.00 0.00 C ATOM 1190 O SER A 74 7.402 12.075 9.539 1.00 0.00 O ATOM 1191 CB SER A 74 8.686 11.192 6.612 1.00 0.00 C ATOM 1192 OG SER A 74 9.930 10.551 6.850 1.00 0.00 O ATOM 0 H SER A 74 6.862 9.600 5.970 1.00 0.00 H new ATOM 0 HA SER A 74 8.124 9.994 8.309 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.356 11.000 5.591 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.796 12.272 6.714 1.00 0.00 H new ATOM 0 HG SER A 74 10.328 10.905 7.672 1.00 0.00 H new ATOM 1198 N GLN A 75 6.156 12.587 7.804 1.00 0.00 N ATOM 1199 CA GLN A 75 5.543 13.739 8.525 1.00 0.00 C ATOM 1200 C GLN A 75 4.049 13.813 8.201 1.00 0.00 C ATOM 1201 O GLN A 75 3.460 14.852 8.449 1.00 0.00 O ATOM 1202 CB GLN A 75 6.224 15.037 8.086 1.00 0.00 C ATOM 1203 CG GLN A 75 7.449 15.293 8.966 1.00 0.00 C ATOM 1204 CD GLN A 75 7.701 16.798 9.071 1.00 0.00 C ATOM 1205 OE1 GLN A 75 8.322 17.257 10.011 1.00 0.00 O ATOM 1206 NE2 GLN A 75 7.244 17.592 8.144 1.00 0.00 N ATOM 1207 OXT GLN A 75 3.520 12.829 7.712 1.00 0.00 O ATOM 0 H GLN A 75 5.822 12.443 6.851 1.00 0.00 H new ATOM 0 HA GLN A 75 5.674 13.604 9.599 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.522 14.968 7.040 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.526 15.871 8.164 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.291 14.871 9.958 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.323 14.797 8.544 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.723 17.209 7.355 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.407 18.597 8.207 1.00 0.00 H new TER 1216 GLN A 75