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 -61:sc= -1.81! USER MOD Set 1.2: A 34 THR OG1 : rot 61:sc= 2.08 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -163:sc= -9.47! (180deg=-9.63!) USER MOD Single : A 1 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.116) USER MOD Single : A 2 SER OG : rot 147:sc= -4.55! 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= -0.329 X(o=-0.33,f=0) USER MOD Single : A 22 GLN : amide:sc= -3.79 K(o=-3.8,f=-7.8!) USER MOD Single : A 24 SER OG : rot 35:sc= -0.805 USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.254) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.286 X(o=-0.29,f=0) USER MOD Single : A 38 SER OG : rot -83:sc= 0.13 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -142:sc= -0.186 (180deg=-0.401) USER MOD Single : A 44 SER OG : rot 59:sc= -0.572! USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0329 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -3.42! K(o=-3.4!,f=-1) USER MOD Single : A 62 SER OG : rot 180:sc= -0.635 USER MOD Single : A 67 GLN : amide:sc= 0.195 X(o=0.2,f=-0.028) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.749 USER MOD Single : A 75 GLN : amide:sc= -0.0708 X(o=-0.071,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 12.029 5.139 1.393 1.00 0.00 N ATOM 2 CA MET A 0 12.260 5.478 2.826 1.00 0.00 C ATOM 3 C MET A 0 11.197 6.477 3.289 1.00 0.00 C ATOM 4 O MET A 0 11.409 7.674 3.269 1.00 0.00 O ATOM 5 CB MET A 0 13.650 6.103 2.985 1.00 0.00 C ATOM 6 CG MET A 0 14.709 5.146 2.434 1.00 0.00 C ATOM 7 SD MET A 0 16.360 5.782 2.825 1.00 0.00 S ATOM 8 CE MET A 0 16.904 6.089 1.125 1.00 0.00 C ATOM 0 H1 MET A 0 12.547 4.269 1.154 1.00 0.00 H new ATOM 0 H2 MET A 0 11.012 4.993 1.230 1.00 0.00 H new ATOM 0 H3 MET A 0 12.367 5.919 0.793 1.00 0.00 H new ATOM 0 HA MET A 0 12.197 4.572 3.429 1.00 0.00 H new ATOM 0 HB2 MET A 0 13.695 7.055 2.456 1.00 0.00 H new ATOM 0 HB3 MET A 0 13.847 6.313 4.036 1.00 0.00 H new ATOM 0 HG2 MET A 0 14.578 4.154 2.866 1.00 0.00 H new ATOM 0 HG3 MET A 0 14.594 5.041 1.355 1.00 0.00 H new ATOM 0 HE1 MET A 0 17.917 6.491 1.134 1.00 0.00 H new ATOM 0 HE2 MET A 0 16.890 5.154 0.564 1.00 0.00 H new ATOM 0 HE3 MET A 0 16.233 6.806 0.652 1.00 0.00 H new ATOM 18 N LYS A 1 10.055 6.000 3.707 1.00 0.00 N ATOM 19 CA LYS A 1 8.988 6.931 4.168 1.00 0.00 C ATOM 20 C LYS A 1 9.430 7.596 5.464 1.00 0.00 C ATOM 21 O LYS A 1 8.841 8.553 5.922 1.00 0.00 O ATOM 22 CB LYS A 1 7.690 6.161 4.417 1.00 0.00 C ATOM 23 CG LYS A 1 8.001 4.820 5.086 1.00 0.00 C ATOM 24 CD LYS A 1 6.800 4.378 5.927 1.00 0.00 C ATOM 25 CE LYS A 1 5.701 3.841 5.009 1.00 0.00 C ATOM 26 NZ LYS A 1 4.429 3.720 5.775 1.00 0.00 N ATOM 0 H LYS A 1 9.817 5.009 3.749 1.00 0.00 H new ATOM 0 HA LYS A 1 8.815 7.685 3.400 1.00 0.00 H new ATOM 0 HB2 LYS A 1 7.024 6.748 5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 1 7.169 5.995 3.474 1.00 0.00 H new ATOM 0 HG2 LYS A 1 8.226 4.068 4.330 1.00 0.00 H new ATOM 0 HG3 LYS A 1 8.886 4.912 5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 1 7.104 3.608 6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 1 6.423 5.218 6.510 1.00 0.00 H new ATOM 0 HE2 LYS A 1 5.564 4.509 4.159 1.00 0.00 H new ATOM 0 HE3 LYS A 1 5.990 2.870 4.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 4.096 2.735 5.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 4.592 3.997 6.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 3.710 4.343 5.355 1.00 0.00 H new ATOM 40 N SER A 2 10.463 7.088 6.057 1.00 0.00 N ATOM 41 CA SER A 2 10.960 7.671 7.324 1.00 0.00 C ATOM 42 C SER A 2 12.217 6.886 7.713 1.00 0.00 C ATOM 43 O SER A 2 12.638 6.034 6.963 1.00 0.00 O ATOM 44 CB SER A 2 9.863 7.547 8.383 1.00 0.00 C ATOM 45 OG SER A 2 10.157 6.460 9.251 1.00 0.00 O ATOM 0 H SER A 2 10.991 6.285 5.715 1.00 0.00 H new ATOM 0 HA SER A 2 11.209 8.728 7.227 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.790 8.472 8.955 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.897 7.391 7.903 1.00 0.00 H new ATOM 0 HG SER A 2 9.835 6.666 10.154 1.00 0.00 H new ATOM 51 N PRO A 3 12.796 7.198 8.842 1.00 0.00 N ATOM 52 CA PRO A 3 14.031 6.521 9.299 1.00 0.00 C ATOM 53 C PRO A 3 13.889 4.978 9.281 1.00 0.00 C ATOM 54 O PRO A 3 13.688 4.370 10.313 1.00 0.00 O ATOM 55 CB PRO A 3 14.231 7.029 10.733 1.00 0.00 C ATOM 56 CG PRO A 3 13.238 8.198 10.959 1.00 0.00 C ATOM 57 CD PRO A 3 12.281 8.234 9.759 1.00 0.00 C ATOM 0 HA PRO A 3 14.876 6.741 8.646 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.051 6.229 11.451 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.257 7.365 10.881 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.684 8.055 11.887 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.774 9.143 11.050 1.00 0.00 H new ATOM 0 HD2 PRO A 3 11.256 8.021 10.063 1.00 0.00 H new ATOM 0 HD3 PRO A 3 12.276 9.216 9.285 1.00 0.00 H new ATOM 65 N GLU A 4 14.004 4.330 8.129 1.00 0.00 N ATOM 66 CA GLU A 4 13.888 2.843 8.088 1.00 0.00 C ATOM 67 C GLU A 4 12.456 2.422 8.401 1.00 0.00 C ATOM 68 O GLU A 4 12.215 1.593 9.255 1.00 0.00 O ATOM 69 CB GLU A 4 14.844 2.219 9.108 1.00 0.00 C ATOM 70 CG GLU A 4 16.260 2.757 8.879 1.00 0.00 C ATOM 71 CD GLU A 4 17.277 1.823 9.540 1.00 0.00 C ATOM 72 OE1 GLU A 4 16.904 1.147 10.485 1.00 0.00 O ATOM 73 OE2 GLU A 4 18.410 1.800 9.088 1.00 0.00 O ATOM 0 H GLU A 4 14.172 4.776 7.227 1.00 0.00 H new ATOM 0 HA GLU A 4 14.151 2.495 7.089 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.515 2.452 10.121 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.836 1.133 9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 4 16.462 2.834 7.811 1.00 0.00 H new ATOM 0 HG3 GLU A 4 16.350 3.761 9.294 1.00 0.00 H new ATOM 80 N GLU A 5 11.502 2.985 7.715 1.00 0.00 N ATOM 81 CA GLU A 5 10.088 2.611 7.976 1.00 0.00 C ATOM 82 C GLU A 5 9.444 2.064 6.701 1.00 0.00 C ATOM 83 O GLU A 5 8.475 1.333 6.752 1.00 0.00 O ATOM 84 CB GLU A 5 9.328 3.832 8.445 1.00 0.00 C ATOM 85 CG GLU A 5 9.150 3.774 9.963 1.00 0.00 C ATOM 86 CD GLU A 5 7.665 3.900 10.308 1.00 0.00 C ATOM 87 OE1 GLU A 5 7.005 2.877 10.375 1.00 0.00 O ATOM 88 OE2 GLU A 5 7.214 5.016 10.499 1.00 0.00 O ATOM 0 H GLU A 5 11.641 3.686 6.987 1.00 0.00 H new ATOM 0 HA GLU A 5 10.057 1.839 8.745 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.867 4.737 8.166 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.355 3.877 7.956 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.546 2.835 10.351 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.714 4.578 10.437 1.00 0.00 H new ATOM 95 N LEU A 6 9.958 2.426 5.556 1.00 0.00 N ATOM 96 CA LEU A 6 9.351 1.939 4.291 1.00 0.00 C ATOM 97 C LEU A 6 9.538 0.429 4.185 1.00 0.00 C ATOM 98 O LEU A 6 8.644 -0.294 3.795 1.00 0.00 O ATOM 99 CB LEU A 6 10.031 2.574 3.083 1.00 0.00 C ATOM 100 CG LEU A 6 8.964 3.067 2.123 1.00 0.00 C ATOM 101 CD1 LEU A 6 9.581 3.348 0.752 1.00 0.00 C ATOM 102 CD2 LEU A 6 7.854 2.023 1.971 1.00 0.00 C ATOM 0 H LEU A 6 10.768 3.035 5.445 1.00 0.00 H new ATOM 0 HA LEU A 6 8.294 2.205 4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 6 10.666 3.402 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.677 1.848 2.589 1.00 0.00 H new ATOM 0 HG LEU A 6 8.538 3.985 2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.807 3.701 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.354 4.110 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.022 2.433 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.098 2.394 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.277 1.096 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.396 1.835 2.942 1.00 0.00 H new ATOM 114 N LYS A 7 10.705 -0.052 4.500 1.00 0.00 N ATOM 115 CA LYS A 7 10.951 -1.514 4.375 1.00 0.00 C ATOM 116 C LYS A 7 10.362 -2.260 5.572 1.00 0.00 C ATOM 117 O LYS A 7 10.526 -3.457 5.708 1.00 0.00 O ATOM 118 CB LYS A 7 12.451 -1.771 4.287 1.00 0.00 C ATOM 119 CG LYS A 7 12.706 -2.831 3.216 1.00 0.00 C ATOM 120 CD LYS A 7 14.180 -3.235 3.234 1.00 0.00 C ATOM 121 CE LYS A 7 14.770 -3.059 1.833 1.00 0.00 C ATOM 122 NZ LYS A 7 15.425 -4.326 1.403 1.00 0.00 N ATOM 0 H LYS A 7 11.495 0.499 4.836 1.00 0.00 H new ATOM 0 HA LYS A 7 10.466 -1.879 3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.978 -0.850 4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.834 -2.108 5.250 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.077 -3.703 3.396 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.437 -2.442 2.234 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.728 -2.624 3.951 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.281 -4.271 3.556 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.984 -2.787 1.128 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.495 -2.245 1.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.825 -4.204 0.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.186 -4.567 2.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.722 -5.092 1.388 1.00 0.00 H new ATOM 136 N GLY A 8 9.668 -1.574 6.435 1.00 0.00 N ATOM 137 CA GLY A 8 9.063 -2.267 7.608 1.00 0.00 C ATOM 138 C GLY A 8 7.613 -2.629 7.282 1.00 0.00 C ATOM 139 O GLY A 8 7.072 -3.594 7.784 1.00 0.00 O ATOM 0 H GLY A 8 9.493 -0.570 6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.630 -3.166 7.847 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.101 -1.623 8.486 1.00 0.00 H new ATOM 143 N ILE A 9 6.986 -1.866 6.433 1.00 0.00 N ATOM 144 CA ILE A 9 5.580 -2.154 6.053 1.00 0.00 C ATOM 145 C ILE A 9 5.588 -3.182 4.933 1.00 0.00 C ATOM 146 O ILE A 9 5.062 -4.258 5.057 1.00 0.00 O ATOM 147 CB ILE A 9 4.915 -0.856 5.598 1.00 0.00 C ATOM 148 CG1 ILE A 9 3.969 -1.100 4.442 1.00 0.00 C ATOM 149 CG2 ILE A 9 5.945 0.190 5.160 1.00 0.00 C ATOM 150 CD1 ILE A 9 3.324 0.224 4.130 1.00 0.00 C ATOM 0 H ILE A 9 7.394 -1.047 5.982 1.00 0.00 H new ATOM 0 HA ILE A 9 5.019 -2.553 6.898 1.00 0.00 H new ATOM 0 HB ILE A 9 4.362 -0.480 6.459 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.507 -1.483 3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.218 -1.845 4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.430 1.097 4.844 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.607 0.420 5.995 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.531 -0.202 4.329 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.629 0.103 3.299 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.783 0.581 5.007 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.092 0.948 3.858 1.00 0.00 H new ATOM 162 N PHE A 10 6.205 -2.854 3.851 1.00 0.00 N ATOM 163 CA PHE A 10 6.295 -3.833 2.734 1.00 0.00 C ATOM 164 C PHE A 10 6.521 -5.281 3.205 1.00 0.00 C ATOM 165 O PHE A 10 5.648 -6.111 3.128 1.00 0.00 O ATOM 166 CB PHE A 10 7.424 -3.435 1.791 1.00 0.00 C ATOM 167 CG PHE A 10 6.942 -3.253 0.393 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.651 -2.827 0.077 1.00 0.00 C ATOM 169 CD2 PHE A 10 7.819 -3.654 -0.609 1.00 0.00 C ATOM 170 CE1 PHE A 10 5.250 -2.811 -1.271 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.434 -3.618 -1.930 1.00 0.00 C ATOM 172 CZ PHE A 10 6.158 -3.209 -2.273 1.00 0.00 C ATOM 0 H PHE A 10 6.654 -1.954 3.682 1.00 0.00 H new ATOM 0 HA PHE A 10 5.332 -3.808 2.224 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.880 -2.509 2.141 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.200 -4.200 1.811 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.971 -2.515 0.855 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.810 -3.996 -0.349 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.252 -2.496 -1.537 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.131 -3.910 -2.702 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.857 -3.195 -3.310 1.00 0.00 H new ATOM 182 N GLU A 11 7.689 -5.604 3.665 1.00 0.00 N ATOM 183 CA GLU A 11 7.958 -7.014 4.102 1.00 0.00 C ATOM 184 C GLU A 11 6.877 -7.479 5.085 1.00 0.00 C ATOM 185 O GLU A 11 6.712 -8.651 5.347 1.00 0.00 O ATOM 186 CB GLU A 11 9.326 -7.080 4.784 1.00 0.00 C ATOM 187 CG GLU A 11 10.427 -6.849 3.747 1.00 0.00 C ATOM 188 CD GLU A 11 11.545 -7.874 3.950 1.00 0.00 C ATOM 189 OE1 GLU A 11 11.232 -9.011 4.260 1.00 0.00 O ATOM 190 OE2 GLU A 11 12.697 -7.504 3.790 1.00 0.00 O ATOM 0 H GLU A 11 8.475 -4.961 3.761 1.00 0.00 H new ATOM 0 HA GLU A 11 7.947 -7.666 3.228 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.389 -6.327 5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.459 -8.051 5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.017 -6.937 2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.824 -5.838 3.842 1.00 0.00 H new ATOM 197 N LYS A 12 6.162 -6.553 5.631 1.00 0.00 N ATOM 198 CA LYS A 12 5.073 -6.871 6.612 1.00 0.00 C ATOM 199 C LYS A 12 3.756 -7.168 5.884 1.00 0.00 C ATOM 200 O LYS A 12 3.371 -8.307 5.711 1.00 0.00 O ATOM 201 CB LYS A 12 4.871 -5.691 7.565 1.00 0.00 C ATOM 202 CG LYS A 12 3.732 -6.013 8.535 1.00 0.00 C ATOM 203 CD LYS A 12 4.186 -7.090 9.523 1.00 0.00 C ATOM 204 CE LYS A 12 4.310 -6.478 10.920 1.00 0.00 C ATOM 205 NZ LYS A 12 4.206 -7.554 11.946 1.00 0.00 N ATOM 0 H LYS A 12 6.280 -5.558 5.442 1.00 0.00 H new ATOM 0 HA LYS A 12 5.369 -7.754 7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.790 -5.494 8.118 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.639 -4.788 7.000 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.435 -5.113 9.074 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.857 -6.357 7.983 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.470 -7.912 9.536 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.144 -7.506 9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.263 -5.959 11.018 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.526 -5.737 11.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.290 -7.138 12.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.286 -8.030 11.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.969 -8.246 11.802 1.00 0.00 H new ATOM 219 N TYR A 13 3.054 -6.136 5.471 1.00 0.00 N ATOM 220 CA TYR A 13 1.752 -6.336 4.771 1.00 0.00 C ATOM 221 C TYR A 13 2.012 -6.770 3.335 1.00 0.00 C ATOM 222 O TYR A 13 1.238 -7.503 2.754 1.00 0.00 O ATOM 223 CB TYR A 13 0.966 -5.022 4.744 1.00 0.00 C ATOM 224 CG TYR A 13 0.823 -4.467 6.138 1.00 0.00 C ATOM 225 CD1 TYR A 13 -0.105 -5.022 7.026 1.00 0.00 C ATOM 226 CD2 TYR A 13 1.616 -3.387 6.538 1.00 0.00 C ATOM 227 CE1 TYR A 13 -0.234 -4.497 8.318 1.00 0.00 C ATOM 228 CE2 TYR A 13 1.487 -2.862 7.826 1.00 0.00 C ATOM 229 CZ TYR A 13 0.564 -3.418 8.717 1.00 0.00 C ATOM 230 OH TYR A 13 0.448 -2.905 9.992 1.00 0.00 O ATOM 0 H TYR A 13 3.332 -5.162 5.592 1.00 0.00 H new ATOM 0 HA TYR A 13 1.180 -7.098 5.301 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.476 -4.299 4.108 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.019 -5.189 4.309 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.721 -5.853 6.716 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.329 -2.958 5.850 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.949 -4.924 9.006 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.100 -2.027 8.133 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.462 -2.567 10.127 1.00 0.00 H new ATOM 240 N ALA A 14 3.093 -6.340 2.748 1.00 0.00 N ATOM 241 CA ALA A 14 3.361 -6.777 1.356 1.00 0.00 C ATOM 242 C ALA A 14 3.604 -8.284 1.388 1.00 0.00 C ATOM 243 O ALA A 14 3.363 -8.975 0.424 1.00 0.00 O ATOM 244 CB ALA A 14 4.607 -6.067 0.795 1.00 0.00 C ATOM 0 H ALA A 14 3.787 -5.718 3.163 1.00 0.00 H new ATOM 0 HA ALA A 14 2.514 -6.528 0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.787 -6.401 -0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.445 -4.989 0.801 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.472 -6.308 1.413 1.00 0.00 H new ATOM 250 N ASP A 15 4.078 -8.789 2.508 1.00 0.00 N ATOM 251 CA ASP A 15 4.357 -10.257 2.627 1.00 0.00 C ATOM 252 C ASP A 15 3.042 -11.014 2.757 1.00 0.00 C ATOM 253 O ASP A 15 2.986 -12.218 2.604 1.00 0.00 O ATOM 254 CB ASP A 15 5.237 -10.557 3.854 1.00 0.00 C ATOM 255 CG ASP A 15 6.675 -10.809 3.392 1.00 0.00 C ATOM 256 OD1 ASP A 15 6.842 -11.436 2.360 1.00 0.00 O ATOM 257 OD2 ASP A 15 7.585 -10.378 4.080 1.00 0.00 O ATOM 0 H ASP A 15 4.283 -8.244 3.345 1.00 0.00 H new ATOM 0 HA ASP A 15 4.890 -10.577 1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.208 -9.720 4.551 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.855 -11.428 4.386 1.00 0.00 H new ATOM 262 N LYS A 16 1.980 -10.313 3.029 1.00 0.00 N ATOM 263 CA LYS A 16 0.664 -10.980 3.161 1.00 0.00 C ATOM 264 C LYS A 16 0.380 -11.763 1.879 1.00 0.00 C ATOM 265 O LYS A 16 -0.440 -12.659 1.851 1.00 0.00 O ATOM 266 CB LYS A 16 -0.405 -9.912 3.380 1.00 0.00 C ATOM 267 CG LYS A 16 -1.438 -10.420 4.387 1.00 0.00 C ATOM 268 CD LYS A 16 -0.824 -10.427 5.788 1.00 0.00 C ATOM 269 CE LYS A 16 -1.849 -10.954 6.795 1.00 0.00 C ATOM 270 NZ LYS A 16 -1.381 -12.256 7.349 1.00 0.00 N ATOM 0 H LYS A 16 1.970 -9.302 3.166 1.00 0.00 H new ATOM 0 HA LYS A 16 0.661 -11.668 4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.054 -8.993 3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.891 -9.671 2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.323 -9.783 4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.763 -11.424 4.116 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.069 -11.052 5.802 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.512 -9.420 6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.987 -10.233 7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.818 -11.080 6.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.078 -12.613 8.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.271 -12.943 6.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.466 -12.122 7.825 1.00 0.00 H new ATOM 284 N GLU A 17 1.065 -11.432 0.817 1.00 0.00 N ATOM 285 CA GLU A 17 0.852 -12.158 -0.466 1.00 0.00 C ATOM 286 C GLU A 17 1.954 -13.212 -0.636 1.00 0.00 C ATOM 287 O GLU A 17 2.320 -13.892 0.304 1.00 0.00 O ATOM 288 CB GLU A 17 0.901 -11.173 -1.623 1.00 0.00 C ATOM 289 CG GLU A 17 -0.024 -9.989 -1.334 1.00 0.00 C ATOM 290 CD GLU A 17 -1.125 -9.932 -2.394 1.00 0.00 C ATOM 291 OE1 GLU A 17 -0.790 -9.834 -3.564 1.00 0.00 O ATOM 292 OE2 GLU A 17 -2.285 -9.986 -2.020 1.00 0.00 O ATOM 0 H GLU A 17 1.763 -10.689 0.784 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.122 -12.647 -0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.922 -10.821 -1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.598 -11.667 -2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.464 -10.091 -0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.546 -9.060 -1.336 1.00 0.00 H new ATOM 299 N GLY A 18 2.494 -13.354 -1.819 1.00 0.00 N ATOM 300 CA GLY A 18 3.571 -14.362 -2.024 1.00 0.00 C ATOM 301 C GLY A 18 4.887 -13.825 -1.454 1.00 0.00 C ATOM 302 O GLY A 18 5.647 -14.547 -0.841 1.00 0.00 O ATOM 0 H GLY A 18 2.236 -12.817 -2.647 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.305 -15.299 -1.534 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.684 -14.579 -3.086 1.00 0.00 H new ATOM 306 N ASP A 19 5.160 -12.561 -1.647 1.00 0.00 N ATOM 307 CA ASP A 19 6.427 -11.984 -1.109 1.00 0.00 C ATOM 308 C ASP A 19 6.092 -10.748 -0.283 1.00 0.00 C ATOM 309 O ASP A 19 4.967 -10.321 -0.242 1.00 0.00 O ATOM 310 CB ASP A 19 7.330 -11.550 -2.261 1.00 0.00 C ATOM 311 CG ASP A 19 8.773 -11.970 -1.971 1.00 0.00 C ATOM 312 OD1 ASP A 19 9.190 -11.848 -0.832 1.00 0.00 O ATOM 313 OD2 ASP A 19 9.436 -12.411 -2.897 1.00 0.00 O ATOM 0 H ASP A 19 4.563 -11.906 -2.152 1.00 0.00 H new ATOM 0 HA ASP A 19 6.933 -12.735 -0.502 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.990 -12.002 -3.193 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.275 -10.469 -2.392 1.00 0.00 H new ATOM 318 N GLY A 20 7.079 -10.148 0.316 1.00 0.00 N ATOM 319 CA GLY A 20 6.858 -8.898 1.103 1.00 0.00 C ATOM 320 C GLY A 20 7.490 -7.771 0.307 1.00 0.00 C ATOM 321 O GLY A 20 7.815 -6.722 0.825 1.00 0.00 O ATOM 0 H GLY A 20 8.046 -10.473 0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.794 -8.717 1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.311 -8.977 2.091 1.00 0.00 H new ATOM 325 N ASN A 21 7.669 -8.000 -0.968 1.00 0.00 N ATOM 326 CA ASN A 21 8.281 -6.975 -1.832 1.00 0.00 C ATOM 327 C ASN A 21 7.218 -6.415 -2.782 1.00 0.00 C ATOM 328 O ASN A 21 7.479 -5.556 -3.596 1.00 0.00 O ATOM 329 CB ASN A 21 9.415 -7.611 -2.631 1.00 0.00 C ATOM 330 CG ASN A 21 10.548 -8.010 -1.682 1.00 0.00 C ATOM 331 OD1 ASN A 21 11.177 -7.164 -1.079 1.00 0.00 O ATOM 332 ND2 ASN A 21 10.834 -9.274 -1.523 1.00 0.00 N ATOM 0 H ASN A 21 7.411 -8.865 -1.442 1.00 0.00 H new ATOM 0 HA ASN A 21 8.680 -6.162 -1.225 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.050 -8.487 -3.167 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.784 -6.910 -3.380 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.586 -9.551 -0.892 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.305 -9.984 -2.030 1.00 0.00 H new ATOM 339 N GLN A 22 6.014 -6.893 -2.674 1.00 0.00 N ATOM 340 CA GLN A 22 4.917 -6.370 -3.544 1.00 0.00 C ATOM 341 C GLN A 22 3.640 -6.268 -2.704 1.00 0.00 C ATOM 342 O GLN A 22 3.449 -7.009 -1.761 1.00 0.00 O ATOM 343 CB GLN A 22 4.700 -7.284 -4.748 1.00 0.00 C ATOM 344 CG GLN A 22 6.041 -7.836 -5.217 1.00 0.00 C ATOM 345 CD GLN A 22 6.297 -9.167 -4.520 1.00 0.00 C ATOM 346 OE1 GLN A 22 5.607 -9.516 -3.582 1.00 0.00 O ATOM 347 NE2 GLN A 22 7.261 -9.932 -4.936 1.00 0.00 N ATOM 0 H GLN A 22 5.736 -7.625 -2.021 1.00 0.00 H new ATOM 0 HA GLN A 22 5.187 -5.385 -3.926 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.032 -8.102 -4.481 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.220 -6.731 -5.556 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.036 -7.972 -6.299 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.840 -7.131 -4.988 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.840 -9.640 -5.723 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.438 -10.825 -4.476 1.00 0.00 H new ATOM 356 N LEU A 23 2.790 -5.322 -3.003 1.00 0.00 N ATOM 357 CA LEU A 23 1.560 -5.134 -2.177 1.00 0.00 C ATOM 358 C LEU A 23 0.274 -5.451 -2.957 1.00 0.00 C ATOM 359 O LEU A 23 0.301 -5.955 -4.057 1.00 0.00 O ATOM 360 CB LEU A 23 1.530 -3.676 -1.724 1.00 0.00 C ATOM 361 CG LEU A 23 2.032 -3.598 -0.288 1.00 0.00 C ATOM 362 CD1 LEU A 23 2.209 -2.135 0.116 1.00 0.00 C ATOM 363 CD2 LEU A 23 1.021 -4.269 0.646 1.00 0.00 C ATOM 0 H LEU A 23 2.893 -4.672 -3.782 1.00 0.00 H new ATOM 0 HA LEU A 23 1.596 -5.822 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.155 -3.065 -2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.517 -3.281 -1.792 1.00 0.00 H new ATOM 0 HG LEU A 23 2.991 -4.111 -0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.568 -2.082 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.933 -1.660 -0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.253 -1.618 0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.381 -4.213 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.061 -3.759 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.900 -5.314 0.361 1.00 0.00 H new ATOM 375 N SER A 24 -0.857 -5.148 -2.367 1.00 0.00 N ATOM 376 CA SER A 24 -2.157 -5.387 -3.000 1.00 0.00 C ATOM 377 C SER A 24 -3.139 -4.411 -2.331 1.00 0.00 C ATOM 378 O SER A 24 -2.816 -3.805 -1.331 1.00 0.00 O ATOM 379 CB SER A 24 -2.578 -6.839 -2.751 1.00 0.00 C ATOM 380 OG SER A 24 -2.083 -7.659 -3.800 1.00 0.00 O ATOM 0 H SER A 24 -0.916 -4.730 -1.438 1.00 0.00 H new ATOM 0 HA SER A 24 -2.129 -5.230 -4.078 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.190 -7.183 -1.792 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.664 -6.911 -2.700 1.00 0.00 H new ATOM 0 HG SER A 24 -1.210 -7.324 -4.093 1.00 0.00 H new ATOM 386 N LYS A 25 -4.311 -4.235 -2.860 1.00 0.00 N ATOM 387 CA LYS A 25 -5.269 -3.284 -2.231 1.00 0.00 C ATOM 388 C LYS A 25 -5.709 -3.824 -0.871 1.00 0.00 C ATOM 389 O LYS A 25 -6.102 -3.081 0.006 1.00 0.00 O ATOM 390 CB LYS A 25 -6.490 -3.118 -3.133 1.00 0.00 C ATOM 391 CG LYS A 25 -7.032 -1.694 -2.996 1.00 0.00 C ATOM 392 CD LYS A 25 -7.639 -1.247 -4.328 1.00 0.00 C ATOM 393 CE LYS A 25 -8.580 -2.334 -4.852 1.00 0.00 C ATOM 394 NZ LYS A 25 -9.659 -2.582 -3.854 1.00 0.00 N ATOM 0 H LYS A 25 -4.650 -4.706 -3.699 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.783 -2.318 -2.096 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.220 -3.318 -4.170 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.259 -3.840 -2.859 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.786 -1.655 -2.210 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.231 -1.015 -2.704 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.184 -0.312 -4.196 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.849 -1.055 -5.054 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.014 -2.026 -5.803 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.024 -3.253 -5.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.478 -3.014 -4.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.308 -3.224 -3.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.946 -1.681 -3.421 1.00 0.00 H new ATOM 408 N GLU A 26 -5.644 -5.113 -0.688 1.00 0.00 N ATOM 409 CA GLU A 26 -6.056 -5.702 0.616 1.00 0.00 C ATOM 410 C GLU A 26 -4.937 -5.507 1.641 1.00 0.00 C ATOM 411 O GLU A 26 -5.095 -5.805 2.808 1.00 0.00 O ATOM 412 CB GLU A 26 -6.326 -7.197 0.432 1.00 0.00 C ATOM 413 CG GLU A 26 -7.059 -7.734 1.661 1.00 0.00 C ATOM 414 CD GLU A 26 -8.517 -7.269 1.629 1.00 0.00 C ATOM 415 OE1 GLU A 26 -8.822 -6.399 0.831 1.00 0.00 O ATOM 416 OE2 GLU A 26 -9.301 -7.790 2.404 1.00 0.00 O ATOM 0 H GLU A 26 -5.323 -5.784 -1.386 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.961 -5.208 0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.925 -7.362 -0.464 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.387 -7.733 0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.014 -8.823 1.678 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.573 -7.381 2.571 1.00 0.00 H new ATOM 423 N GLU A 27 -3.808 -5.008 1.217 1.00 0.00 N ATOM 424 CA GLU A 27 -2.682 -4.794 2.171 1.00 0.00 C ATOM 425 C GLU A 27 -2.404 -3.296 2.307 1.00 0.00 C ATOM 426 O GLU A 27 -1.578 -2.877 3.094 1.00 0.00 O ATOM 427 CB GLU A 27 -1.429 -5.502 1.653 1.00 0.00 C ATOM 428 CG GLU A 27 -1.703 -7.003 1.535 1.00 0.00 C ATOM 429 CD GLU A 27 -2.011 -7.577 2.919 1.00 0.00 C ATOM 430 OE1 GLU A 27 -1.265 -7.289 3.839 1.00 0.00 O ATOM 431 OE2 GLU A 27 -2.991 -8.297 3.035 1.00 0.00 O ATOM 0 H GLU A 27 -3.616 -4.739 0.252 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.951 -5.202 3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.144 -5.096 0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.593 -5.326 2.330 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.542 -7.178 0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.839 -7.508 1.104 1.00 0.00 H new ATOM 438 N LEU A 28 -3.107 -2.482 1.568 1.00 0.00 N ATOM 439 CA LEU A 28 -2.908 -1.024 1.674 1.00 0.00 C ATOM 440 C LEU A 28 -3.834 -0.559 2.798 1.00 0.00 C ATOM 441 O LEU A 28 -3.548 0.359 3.542 1.00 0.00 O ATOM 442 CB LEU A 28 -3.266 -0.406 0.313 1.00 0.00 C ATOM 443 CG LEU A 28 -3.998 0.916 0.490 1.00 0.00 C ATOM 444 CD1 LEU A 28 -3.045 1.956 1.087 1.00 0.00 C ATOM 445 CD2 LEU A 28 -4.494 1.410 -0.873 1.00 0.00 C ATOM 0 H LEU A 28 -3.814 -2.774 0.893 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.885 -0.728 1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.358 -0.248 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.890 -1.098 -0.252 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.846 0.772 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.571 2.902 1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.687 1.608 2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.197 2.099 0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.019 2.357 -0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.644 1.552 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.173 0.673 -1.302 1.00 0.00 H new ATOM 457 N LYS A 29 -4.926 -1.253 2.935 1.00 0.00 N ATOM 458 CA LYS A 29 -5.903 -0.999 3.977 1.00 0.00 C ATOM 459 C LYS A 29 -5.274 -1.270 5.351 1.00 0.00 C ATOM 460 O LYS A 29 -5.261 -0.420 6.214 1.00 0.00 O ATOM 461 CB LYS A 29 -7.008 -1.988 3.723 1.00 0.00 C ATOM 462 CG LYS A 29 -7.969 -1.867 4.860 1.00 0.00 C ATOM 463 CD LYS A 29 -9.324 -2.414 4.443 1.00 0.00 C ATOM 464 CE LYS A 29 -9.614 -3.721 5.215 1.00 0.00 C ATOM 465 NZ LYS A 29 -10.804 -4.392 4.620 1.00 0.00 N ATOM 0 H LYS A 29 -5.176 -2.027 2.320 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.259 0.031 3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.503 -1.778 2.775 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.612 -3.001 3.658 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.595 -2.415 5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.064 -0.823 5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.103 -1.679 4.646 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.337 -2.603 3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.749 -4.383 5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.794 -3.503 6.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.001 -5.272 5.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.627 -3.760 4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.615 -4.613 3.621 1.00 0.00 H new ATOM 479 N LEU A 30 -4.750 -2.456 5.555 1.00 0.00 N ATOM 480 CA LEU A 30 -4.119 -2.787 6.870 1.00 0.00 C ATOM 481 C LEU A 30 -3.093 -1.712 7.217 1.00 0.00 C ATOM 482 O LEU A 30 -2.802 -1.455 8.369 1.00 0.00 O ATOM 483 CB LEU A 30 -3.421 -4.146 6.775 1.00 0.00 C ATOM 484 CG LEU A 30 -4.366 -5.167 6.138 1.00 0.00 C ATOM 485 CD1 LEU A 30 -3.794 -6.574 6.316 1.00 0.00 C ATOM 486 CD2 LEU A 30 -5.735 -5.083 6.816 1.00 0.00 C ATOM 0 H LEU A 30 -4.733 -3.208 4.866 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.885 -2.828 7.644 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.511 -4.058 6.181 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.122 -4.482 7.768 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.472 -4.951 5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.468 -7.301 5.862 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.818 -6.634 5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.688 -6.792 7.379 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.410 -5.810 6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.628 -5.299 7.879 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.143 -4.080 6.689 1.00 0.00 H new ATOM 498 N LEU A 31 -2.561 -1.073 6.219 1.00 0.00 N ATOM 499 CA LEU A 31 -1.567 0.006 6.451 1.00 0.00 C ATOM 500 C LEU A 31 -2.271 1.144 7.159 1.00 0.00 C ATOM 501 O LEU A 31 -1.836 1.634 8.175 1.00 0.00 O ATOM 502 CB LEU A 31 -1.075 0.513 5.106 1.00 0.00 C ATOM 503 CG LEU A 31 0.448 0.446 5.054 1.00 0.00 C ATOM 504 CD1 LEU A 31 1.039 1.242 6.219 1.00 0.00 C ATOM 505 CD2 LEU A 31 0.896 -1.013 5.156 1.00 0.00 C ATOM 0 H LEU A 31 -2.775 -1.255 5.238 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.730 -0.365 7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.502 -0.087 4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.409 1.539 4.950 1.00 0.00 H new ATOM 0 HG LEU A 31 0.796 0.871 4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.127 1.192 6.179 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.721 2.282 6.148 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.691 0.820 7.162 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.984 -1.063 5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.545 -1.436 6.097 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.478 -1.581 4.325 1.00 0.00 H new ATOM 517 N LEU A 32 -3.373 1.546 6.608 1.00 0.00 N ATOM 518 CA LEU A 32 -4.169 2.642 7.211 1.00 0.00 C ATOM 519 C LEU A 32 -4.502 2.271 8.637 1.00 0.00 C ATOM 520 O LEU A 32 -4.214 2.964 9.578 1.00 0.00 O ATOM 521 CB LEU A 32 -5.479 2.778 6.470 1.00 0.00 C ATOM 522 CG LEU A 32 -5.268 2.542 4.985 1.00 0.00 C ATOM 523 CD1 LEU A 32 -6.438 3.146 4.261 1.00 0.00 C ATOM 524 CD2 LEU A 32 -3.979 3.216 4.518 1.00 0.00 C ATOM 0 H LEU A 32 -3.764 1.156 5.750 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.598 3.569 7.162 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.202 2.062 6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.895 3.772 6.632 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.189 1.474 4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.319 2.995 3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.359 2.668 4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.486 4.214 4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.841 3.038 3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.042 4.289 4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.133 2.803 5.067 1.00 0.00 H new ATOM 536 N GLN A 33 -5.143 1.169 8.781 1.00 0.00 N ATOM 537 CA GLN A 33 -5.556 0.721 10.145 1.00 0.00 C ATOM 538 C GLN A 33 -4.340 0.575 11.062 1.00 0.00 C ATOM 539 O GLN A 33 -4.475 0.470 12.265 1.00 0.00 O ATOM 540 CB GLN A 33 -6.289 -0.619 10.050 1.00 0.00 C ATOM 541 CG GLN A 33 -7.696 -0.394 9.494 1.00 0.00 C ATOM 542 CD GLN A 33 -8.338 -1.744 9.169 1.00 0.00 C ATOM 543 OE1 GLN A 33 -9.397 -2.063 9.672 1.00 0.00 O ATOM 544 NE2 GLN A 33 -7.738 -2.555 8.342 1.00 0.00 N ATOM 0 H GLN A 33 -5.408 0.545 8.019 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.221 1.475 10.567 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.737 -1.302 9.405 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.346 -1.085 11.034 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.304 0.144 10.221 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.650 0.224 8.597 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.849 -2.287 7.920 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.158 -3.457 8.118 1.00 0.00 H new ATOM 553 N THR A 34 -3.158 0.571 10.520 1.00 0.00 N ATOM 554 CA THR A 34 -1.955 0.436 11.388 1.00 0.00 C ATOM 555 C THR A 34 -1.373 1.822 11.664 1.00 0.00 C ATOM 556 O THR A 34 -0.752 2.060 12.680 1.00 0.00 O ATOM 557 CB THR A 34 -0.920 -0.437 10.688 1.00 0.00 C ATOM 558 OG1 THR A 34 -1.439 -1.751 10.559 1.00 0.00 O ATOM 559 CG2 THR A 34 0.366 -0.465 11.515 1.00 0.00 C ATOM 0 H THR A 34 -2.971 0.655 9.521 1.00 0.00 H new ATOM 0 HA THR A 34 -2.232 -0.030 12.334 1.00 0.00 H new ATOM 0 HB THR A 34 -0.698 -0.033 9.700 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.259 -1.728 10.023 1.00 0.00 H new ATOM 0 HG21 THR A 34 1.107 -1.089 11.015 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.755 0.548 11.617 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.154 -0.874 12.503 1.00 0.00 H new ATOM 567 N GLU A 35 -1.586 2.740 10.767 1.00 0.00 N ATOM 568 CA GLU A 35 -1.071 4.123 10.964 1.00 0.00 C ATOM 569 C GLU A 35 -2.247 5.105 10.888 1.00 0.00 C ATOM 570 O GLU A 35 -2.439 5.922 11.766 1.00 0.00 O ATOM 571 CB GLU A 35 -0.036 4.452 9.881 1.00 0.00 C ATOM 572 CG GLU A 35 0.898 3.254 9.689 1.00 0.00 C ATOM 573 CD GLU A 35 2.184 3.710 8.997 1.00 0.00 C ATOM 574 OE1 GLU A 35 2.853 4.572 9.544 1.00 0.00 O ATOM 575 OE2 GLU A 35 2.479 3.189 7.935 1.00 0.00 O ATOM 0 H GLU A 35 -2.099 2.591 9.898 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.590 4.204 11.939 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.538 4.690 8.943 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.539 5.333 10.167 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.132 2.805 10.654 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.404 2.487 9.092 1.00 0.00 H new ATOM 582 N PHE A 36 -3.046 5.026 9.853 1.00 0.00 N ATOM 583 CA PHE A 36 -4.211 5.948 9.736 1.00 0.00 C ATOM 584 C PHE A 36 -5.362 5.233 9.011 1.00 0.00 C ATOM 585 O PHE A 36 -5.549 5.428 7.827 1.00 0.00 O ATOM 586 CB PHE A 36 -3.819 7.185 8.920 1.00 0.00 C ATOM 587 CG PHE A 36 -2.317 7.343 8.887 1.00 0.00 C ATOM 588 CD1 PHE A 36 -1.621 7.706 10.045 1.00 0.00 C ATOM 589 CD2 PHE A 36 -1.622 7.128 7.691 1.00 0.00 C ATOM 590 CE1 PHE A 36 -0.229 7.851 10.009 1.00 0.00 C ATOM 591 CE2 PHE A 36 -0.230 7.274 7.652 1.00 0.00 C ATOM 592 CZ PHE A 36 0.467 7.635 8.812 1.00 0.00 C ATOM 0 H PHE A 36 -2.940 4.362 9.086 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.523 6.247 10.737 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.203 7.095 7.904 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.275 8.074 9.355 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.158 7.874 10.967 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.160 6.849 6.797 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.308 8.129 10.904 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.305 7.108 6.729 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.541 7.747 8.784 1.00 0.00 H new ATOM 602 N PRO A 37 -6.107 4.436 9.741 1.00 0.00 N ATOM 603 CA PRO A 37 -7.252 3.695 9.178 1.00 0.00 C ATOM 604 C PRO A 37 -8.242 4.647 8.500 1.00 0.00 C ATOM 605 O PRO A 37 -9.126 4.222 7.784 1.00 0.00 O ATOM 606 CB PRO A 37 -7.918 3.023 10.387 1.00 0.00 C ATOM 607 CG PRO A 37 -7.060 3.345 11.636 1.00 0.00 C ATOM 608 CD PRO A 37 -5.877 4.209 11.178 1.00 0.00 C ATOM 0 HA PRO A 37 -6.935 2.979 8.420 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.936 3.391 10.517 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.986 1.946 10.237 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.654 3.873 12.382 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.705 2.427 12.103 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.840 5.151 11.726 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.928 3.702 11.351 1.00 0.00 H new ATOM 616 N SER A 38 -8.120 5.924 8.733 1.00 0.00 N ATOM 617 CA SER A 38 -9.079 6.878 8.114 1.00 0.00 C ATOM 618 C SER A 38 -8.698 7.158 6.663 1.00 0.00 C ATOM 619 O SER A 38 -9.266 8.020 6.021 1.00 0.00 O ATOM 620 CB SER A 38 -9.085 8.183 8.906 1.00 0.00 C ATOM 621 OG SER A 38 -7.867 8.296 9.630 1.00 0.00 O ATOM 0 H SER A 38 -7.402 6.346 9.322 1.00 0.00 H new ATOM 0 HA SER A 38 -10.074 6.434 8.132 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.201 9.031 8.231 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.932 8.203 9.591 1.00 0.00 H new ATOM 0 HG SER A 38 -7.936 7.791 10.467 1.00 0.00 H new ATOM 627 N LEU A 39 -7.764 6.431 6.126 1.00 0.00 N ATOM 628 CA LEU A 39 -7.389 6.662 4.708 1.00 0.00 C ATOM 629 C LEU A 39 -8.402 5.951 3.804 1.00 0.00 C ATOM 630 O LEU A 39 -8.224 5.870 2.607 1.00 0.00 O ATOM 631 CB LEU A 39 -5.985 6.118 4.445 1.00 0.00 C ATOM 632 CG LEU A 39 -5.069 7.268 4.020 1.00 0.00 C ATOM 633 CD1 LEU A 39 -4.966 8.287 5.155 1.00 0.00 C ATOM 634 CD2 LEU A 39 -3.676 6.720 3.699 1.00 0.00 C ATOM 0 H LEU A 39 -7.247 5.692 6.603 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.395 7.731 4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.594 5.639 5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.018 5.357 3.666 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.483 7.752 3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.313 9.105 4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.957 8.679 5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.554 7.804 6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.024 7.539 3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.263 6.235 4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.748 5.995 2.888 1.00 0.00 H new ATOM 646 N LEU A 40 -9.465 5.437 4.366 1.00 0.00 N ATOM 647 CA LEU A 40 -10.487 4.740 3.536 1.00 0.00 C ATOM 648 C LEU A 40 -11.793 5.532 3.569 1.00 0.00 C ATOM 649 O LEU A 40 -12.044 6.368 2.724 1.00 0.00 O ATOM 650 CB LEU A 40 -10.738 3.334 4.096 1.00 0.00 C ATOM 651 CG LEU A 40 -9.501 2.445 3.901 1.00 0.00 C ATOM 652 CD1 LEU A 40 -9.929 0.976 3.887 1.00 0.00 C ATOM 653 CD2 LEU A 40 -8.817 2.778 2.567 1.00 0.00 C ATOM 0 H LEU A 40 -9.668 5.471 5.365 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.126 4.664 2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.983 3.398 5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.597 2.886 3.596 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.804 2.624 4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.053 0.343 3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.410 0.728 4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.630 0.809 3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.941 2.142 2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.514 2.605 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.509 3.824 2.567 1.00 0.00 H new ATOM 665 N LYS A 41 -12.626 5.278 4.540 1.00 0.00 N ATOM 666 CA LYS A 41 -13.915 6.020 4.628 1.00 0.00 C ATOM 667 C LYS A 41 -14.814 5.623 3.453 1.00 0.00 C ATOM 668 O LYS A 41 -15.859 6.202 3.237 1.00 0.00 O ATOM 669 CB LYS A 41 -13.644 7.526 4.570 1.00 0.00 C ATOM 670 CG LYS A 41 -12.366 7.863 5.347 1.00 0.00 C ATOM 671 CD LYS A 41 -12.735 8.558 6.658 1.00 0.00 C ATOM 672 CE LYS A 41 -12.258 10.010 6.617 1.00 0.00 C ATOM 673 NZ LYS A 41 -12.794 10.745 7.796 1.00 0.00 N ATOM 0 H LYS A 41 -12.470 4.589 5.276 1.00 0.00 H new ATOM 0 HA LYS A 41 -14.410 5.774 5.567 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.543 7.845 3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.489 8.072 4.990 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.801 6.953 5.552 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.724 8.509 4.749 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.814 8.523 6.810 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.278 8.037 7.499 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.169 10.046 6.618 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.592 10.487 5.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.469 11.732 7.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.834 10.722 7.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.455 10.294 8.670 1.00 0.00 H new ATOM 687 N GLY A 42 -14.415 4.640 2.691 1.00 0.00 N ATOM 688 CA GLY A 42 -15.247 4.210 1.531 1.00 0.00 C ATOM 689 C GLY A 42 -15.450 5.391 0.579 1.00 0.00 C ATOM 690 O GLY A 42 -16.527 5.603 0.059 1.00 0.00 O ATOM 0 H GLY A 42 -13.549 4.117 2.822 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -14.761 3.387 1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.212 3.841 1.879 1.00 0.00 H new ATOM 694 N MET A 43 -14.422 6.162 0.348 1.00 0.00 N ATOM 695 CA MET A 43 -14.553 7.331 -0.571 1.00 0.00 C ATOM 696 C MET A 43 -13.223 8.098 -0.667 1.00 0.00 C ATOM 697 O MET A 43 -12.300 7.843 0.081 1.00 0.00 O ATOM 698 CB MET A 43 -15.664 8.259 -0.057 1.00 0.00 C ATOM 699 CG MET A 43 -16.884 8.128 -0.962 1.00 0.00 C ATOM 700 SD MET A 43 -18.332 7.667 0.021 1.00 0.00 S ATOM 701 CE MET A 43 -19.077 6.551 -1.192 1.00 0.00 C ATOM 0 H MET A 43 -13.496 6.033 0.756 1.00 0.00 H new ATOM 0 HA MET A 43 -14.810 6.972 -1.568 1.00 0.00 H new ATOM 0 HB2 MET A 43 -15.927 7.998 0.968 1.00 0.00 H new ATOM 0 HB3 MET A 43 -15.315 9.292 -0.044 1.00 0.00 H new ATOM 0 HG2 MET A 43 -17.068 9.071 -1.477 1.00 0.00 H new ATOM 0 HG3 MET A 43 -16.700 7.376 -1.729 1.00 0.00 H new ATOM 0 HE1 MET A 43 -20.161 6.665 -1.174 1.00 0.00 H new ATOM 0 HE2 MET A 43 -18.703 6.793 -2.187 1.00 0.00 H new ATOM 0 HE3 MET A 43 -18.816 5.521 -0.947 1.00 0.00 H new ATOM 711 N SER A 44 -13.110 9.033 -1.592 1.00 0.00 N ATOM 712 CA SER A 44 -11.851 9.805 -1.737 1.00 0.00 C ATOM 713 C SER A 44 -10.673 8.849 -1.965 1.00 0.00 C ATOM 714 O SER A 44 -10.353 8.514 -3.088 1.00 0.00 O ATOM 715 CB SER A 44 -11.608 10.664 -0.490 1.00 0.00 C ATOM 716 OG SER A 44 -12.259 10.082 0.630 1.00 0.00 O ATOM 0 H SER A 44 -13.847 9.286 -2.250 1.00 0.00 H new ATOM 0 HA SER A 44 -11.939 10.465 -2.600 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.538 10.747 -0.298 1.00 0.00 H new ATOM 0 HB3 SER A 44 -11.982 11.674 -0.655 1.00 0.00 H new ATOM 0 HG SER A 44 -11.911 9.178 0.777 1.00 0.00 H new ATOM 722 N THR A 45 -10.012 8.411 -0.924 1.00 0.00 N ATOM 723 CA THR A 45 -8.862 7.499 -1.113 1.00 0.00 C ATOM 724 C THR A 45 -9.349 6.057 -1.301 1.00 0.00 C ATOM 725 O THR A 45 -10.527 5.819 -1.482 1.00 0.00 O ATOM 726 CB THR A 45 -7.946 7.610 0.095 1.00 0.00 C ATOM 727 OG1 THR A 45 -8.197 8.838 0.765 1.00 0.00 O ATOM 728 CG2 THR A 45 -6.512 7.582 -0.402 1.00 0.00 C ATOM 0 H THR A 45 -10.224 8.649 0.045 1.00 0.00 H new ATOM 0 HA THR A 45 -8.310 7.780 -2.010 1.00 0.00 H new ATOM 0 HB THR A 45 -8.122 6.787 0.788 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.609 8.911 1.545 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.831 7.660 0.446 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.328 6.646 -0.930 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.345 8.419 -1.080 1.00 0.00 H new ATOM 736 N LEU A 46 -8.449 5.094 -1.314 1.00 0.00 N ATOM 737 CA LEU A 46 -8.870 3.683 -1.552 1.00 0.00 C ATOM 738 C LEU A 46 -9.118 3.518 -3.052 1.00 0.00 C ATOM 739 O LEU A 46 -9.492 2.466 -3.529 1.00 0.00 O ATOM 740 CB LEU A 46 -10.159 3.391 -0.789 1.00 0.00 C ATOM 741 CG LEU A 46 -10.332 1.879 -0.620 1.00 0.00 C ATOM 742 CD1 LEU A 46 -9.161 1.313 0.187 1.00 0.00 C ATOM 743 CD2 LEU A 46 -11.641 1.597 0.121 1.00 0.00 C ATOM 0 H LEU A 46 -7.448 5.230 -1.170 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.098 2.994 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.131 3.874 0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.012 3.806 -1.326 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.357 1.407 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.287 0.237 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.227 1.513 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.134 1.785 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.766 0.521 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.614 2.072 1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.477 1.997 -0.452 1.00 0.00 H new ATOM 755 N ASP A 47 -8.923 4.578 -3.789 1.00 0.00 N ATOM 756 CA ASP A 47 -9.148 4.553 -5.250 1.00 0.00 C ATOM 757 C ASP A 47 -8.066 5.352 -5.974 1.00 0.00 C ATOM 758 O ASP A 47 -7.404 4.855 -6.861 1.00 0.00 O ATOM 759 CB ASP A 47 -10.478 5.204 -5.535 1.00 0.00 C ATOM 760 CG ASP A 47 -11.527 4.139 -5.860 1.00 0.00 C ATOM 761 OD1 ASP A 47 -11.137 3.011 -6.114 1.00 0.00 O ATOM 762 OD2 ASP A 47 -12.701 4.470 -5.849 1.00 0.00 O ATOM 0 H ASP A 47 -8.610 5.478 -3.424 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.125 3.520 -5.596 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -10.798 5.789 -4.672 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.381 5.897 -6.371 1.00 0.00 H new ATOM 767 N GLU A 48 -7.885 6.594 -5.607 1.00 0.00 N ATOM 768 CA GLU A 48 -6.857 7.426 -6.271 1.00 0.00 C ATOM 769 C GLU A 48 -5.497 6.936 -5.840 1.00 0.00 C ATOM 770 O GLU A 48 -4.498 7.119 -6.506 1.00 0.00 O ATOM 771 CB GLU A 48 -7.035 8.855 -5.812 1.00 0.00 C ATOM 772 CG GLU A 48 -6.897 8.940 -4.289 1.00 0.00 C ATOM 773 CD GLU A 48 -5.816 9.960 -3.929 1.00 0.00 C ATOM 774 OE1 GLU A 48 -5.656 10.912 -4.675 1.00 0.00 O ATOM 775 OE2 GLU A 48 -5.165 9.771 -2.915 1.00 0.00 O ATOM 0 H GLU A 48 -8.412 7.064 -4.871 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.950 7.365 -7.355 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.291 9.493 -6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.014 9.224 -6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.848 9.230 -3.843 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.639 7.962 -3.882 1.00 0.00 H new ATOM 782 N LEU A 49 -5.476 6.297 -4.726 1.00 0.00 N ATOM 783 CA LEU A 49 -4.208 5.746 -4.199 1.00 0.00 C ATOM 784 C LEU A 49 -3.932 4.449 -4.942 1.00 0.00 C ATOM 785 O LEU A 49 -2.815 3.982 -5.034 1.00 0.00 O ATOM 786 CB LEU A 49 -4.374 5.471 -2.708 1.00 0.00 C ATOM 787 CG LEU A 49 -3.061 5.770 -1.986 1.00 0.00 C ATOM 788 CD1 LEU A 49 -2.865 7.283 -1.895 1.00 0.00 C ATOM 789 CD2 LEU A 49 -3.103 5.177 -0.577 1.00 0.00 C ATOM 0 H LEU A 49 -6.295 6.126 -4.142 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.382 6.443 -4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.174 6.088 -2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.661 4.431 -2.549 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.234 5.327 -2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.929 7.498 -1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.833 7.707 -2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.693 7.725 -1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.166 5.391 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.930 5.618 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.243 4.098 -0.640 1.00 0.00 H new ATOM 801 N PHE A 50 -4.966 3.877 -5.484 1.00 0.00 N ATOM 802 CA PHE A 50 -4.821 2.610 -6.248 1.00 0.00 C ATOM 803 C PHE A 50 -4.336 2.924 -7.666 1.00 0.00 C ATOM 804 O PHE A 50 -3.447 2.280 -8.187 1.00 0.00 O ATOM 805 CB PHE A 50 -6.180 1.918 -6.307 1.00 0.00 C ATOM 806 CG PHE A 50 -6.018 0.531 -6.887 1.00 0.00 C ATOM 807 CD1 PHE A 50 -5.048 -0.333 -6.365 1.00 0.00 C ATOM 808 CD2 PHE A 50 -6.837 0.108 -7.940 1.00 0.00 C ATOM 809 CE1 PHE A 50 -4.896 -1.619 -6.897 1.00 0.00 C ATOM 810 CE2 PHE A 50 -6.685 -1.178 -8.473 1.00 0.00 C ATOM 811 CZ PHE A 50 -5.714 -2.042 -7.951 1.00 0.00 C ATOM 0 H PHE A 50 -5.919 4.238 -5.430 1.00 0.00 H new ATOM 0 HA PHE A 50 -4.096 1.958 -5.761 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -6.612 1.857 -5.308 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.870 2.500 -6.918 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.417 -0.007 -5.552 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.587 0.774 -8.342 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.147 -2.285 -6.494 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.316 -1.504 -9.286 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.597 -3.034 -8.362 1.00 0.00 H new ATOM 821 N GLU A 51 -4.917 3.910 -8.296 1.00 0.00 N ATOM 822 CA GLU A 51 -4.496 4.269 -9.679 1.00 0.00 C ATOM 823 C GLU A 51 -3.113 4.919 -9.640 1.00 0.00 C ATOM 824 O GLU A 51 -2.260 4.633 -10.457 1.00 0.00 O ATOM 825 CB GLU A 51 -5.499 5.255 -10.280 1.00 0.00 C ATOM 826 CG GLU A 51 -5.335 5.282 -11.801 1.00 0.00 C ATOM 827 CD GLU A 51 -5.255 6.731 -12.282 1.00 0.00 C ATOM 828 OE1 GLU A 51 -5.940 7.564 -11.710 1.00 0.00 O ATOM 829 OE2 GLU A 51 -4.511 6.984 -13.215 1.00 0.00 O ATOM 0 H GLU A 51 -5.667 4.483 -7.910 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.459 3.367 -10.290 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.516 4.962 -10.018 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.338 6.251 -9.868 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.433 4.742 -12.089 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.175 4.776 -12.277 1.00 0.00 H new ATOM 836 N GLU A 52 -2.880 5.793 -8.699 1.00 0.00 N ATOM 837 CA GLU A 52 -1.549 6.455 -8.620 1.00 0.00 C ATOM 838 C GLU A 52 -0.454 5.400 -8.775 1.00 0.00 C ATOM 839 O GLU A 52 0.645 5.690 -9.206 1.00 0.00 O ATOM 840 CB GLU A 52 -1.400 7.152 -7.266 1.00 0.00 C ATOM 841 CG GLU A 52 -0.609 8.449 -7.448 1.00 0.00 C ATOM 842 CD GLU A 52 -1.470 9.471 -8.190 1.00 0.00 C ATOM 843 OE1 GLU A 52 -2.551 9.103 -8.622 1.00 0.00 O ATOM 844 OE2 GLU A 52 -1.035 10.605 -8.316 1.00 0.00 O ATOM 0 H GLU A 52 -3.551 6.076 -7.985 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.462 7.195 -9.416 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.382 7.368 -6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.888 6.497 -6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.311 8.845 -6.477 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.306 8.254 -8.007 1.00 0.00 H new ATOM 851 N LEU A 53 -0.746 4.177 -8.428 1.00 0.00 N ATOM 852 CA LEU A 53 0.275 3.100 -8.558 1.00 0.00 C ATOM 853 C LEU A 53 0.165 2.467 -9.952 1.00 0.00 C ATOM 854 O LEU A 53 0.036 3.160 -10.941 1.00 0.00 O ATOM 855 CB LEU A 53 0.033 2.044 -7.474 1.00 0.00 C ATOM 856 CG LEU A 53 -0.131 2.736 -6.118 1.00 0.00 C ATOM 857 CD1 LEU A 53 -0.768 1.768 -5.120 1.00 0.00 C ATOM 858 CD2 LEU A 53 1.241 3.170 -5.598 1.00 0.00 C ATOM 0 H LEU A 53 -1.649 3.877 -8.060 1.00 0.00 H new ATOM 0 HA LEU A 53 1.276 3.514 -8.434 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.859 1.464 -7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.868 1.345 -7.439 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.772 3.610 -6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.883 2.263 -4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.746 1.457 -5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.129 0.892 -5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.125 3.663 -4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.880 2.295 -5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.696 3.862 -6.306 1.00 0.00 H new ATOM 870 N ASP A 54 0.219 1.163 -10.047 1.00 0.00 N ATOM 871 CA ASP A 54 0.121 0.512 -11.385 1.00 0.00 C ATOM 872 C ASP A 54 -1.350 0.266 -11.729 1.00 0.00 C ATOM 873 O ASP A 54 -2.198 0.184 -10.861 1.00 0.00 O ATOM 874 CB ASP A 54 0.870 -0.822 -11.357 1.00 0.00 C ATOM 875 CG ASP A 54 1.498 -1.085 -12.726 1.00 0.00 C ATOM 876 OD1 ASP A 54 2.337 -0.298 -13.134 1.00 0.00 O ATOM 877 OD2 ASP A 54 1.128 -2.069 -13.345 1.00 0.00 O ATOM 0 H ASP A 54 0.326 0.525 -9.259 1.00 0.00 H new ATOM 0 HA ASP A 54 0.564 1.163 -12.139 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.643 -0.801 -10.589 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.186 -1.630 -11.098 1.00 0.00 H new ATOM 882 N LYS A 55 -1.661 0.150 -12.993 1.00 0.00 N ATOM 883 CA LYS A 55 -3.074 -0.086 -13.398 1.00 0.00 C ATOM 884 C LYS A 55 -3.194 -1.449 -14.087 1.00 0.00 C ATOM 885 O LYS A 55 -4.096 -1.681 -14.866 1.00 0.00 O ATOM 886 CB LYS A 55 -3.505 1.010 -14.371 1.00 0.00 C ATOM 887 CG LYS A 55 -2.665 0.913 -15.647 1.00 0.00 C ATOM 888 CD LYS A 55 -1.522 1.931 -15.591 1.00 0.00 C ATOM 889 CE LYS A 55 -2.095 3.367 -15.679 1.00 0.00 C ATOM 890 NZ LYS A 55 -1.100 4.250 -16.353 1.00 0.00 N ATOM 0 H LYS A 55 -0.994 0.209 -13.763 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.712 -0.071 -12.515 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.563 0.905 -14.610 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.378 1.990 -13.912 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.263 -0.094 -15.753 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.290 1.101 -16.520 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.960 1.810 -14.665 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.826 1.756 -16.412 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.032 3.364 -16.235 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.318 3.745 -14.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.479 5.216 -16.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.216 4.259 -15.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.909 3.891 -17.310 1.00 0.00 H new ATOM 904 N ASN A 56 -2.291 -2.352 -13.809 1.00 0.00 N ATOM 905 CA ASN A 56 -2.360 -3.692 -14.455 1.00 0.00 C ATOM 906 C ASN A 56 -1.538 -4.697 -13.643 1.00 0.00 C ATOM 907 O ASN A 56 -1.207 -5.767 -14.116 1.00 0.00 O ATOM 908 CB ASN A 56 -1.799 -3.603 -15.876 1.00 0.00 C ATOM 909 CG ASN A 56 -2.105 -4.895 -16.648 1.00 0.00 C ATOM 910 OD1 ASN A 56 -1.748 -5.019 -17.803 1.00 0.00 O ATOM 911 ND2 ASN A 56 -2.753 -5.871 -16.064 1.00 0.00 N ATOM 0 H ASN A 56 -1.512 -2.219 -13.164 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.398 -4.022 -14.494 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.235 -2.749 -16.394 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.722 -3.438 -15.840 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.955 -6.728 -16.578 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.056 -5.774 -15.095 1.00 0.00 H new ATOM 918 N GLY A 57 -1.213 -4.372 -12.422 1.00 0.00 N ATOM 919 CA GLY A 57 -0.425 -5.321 -11.592 1.00 0.00 C ATOM 920 C GLY A 57 -1.275 -6.556 -11.316 1.00 0.00 C ATOM 921 O GLY A 57 -0.786 -7.560 -10.847 1.00 0.00 O ATOM 0 H GLY A 57 -1.459 -3.493 -11.966 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.493 -5.602 -12.109 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.131 -4.848 -10.655 1.00 0.00 H new ATOM 925 N ASP A 58 -2.554 -6.460 -11.582 1.00 0.00 N ATOM 926 CA ASP A 58 -3.487 -7.585 -11.331 1.00 0.00 C ATOM 927 C ASP A 58 -3.982 -7.443 -9.901 1.00 0.00 C ATOM 928 O ASP A 58 -4.459 -8.377 -9.287 1.00 0.00 O ATOM 929 CB ASP A 58 -2.785 -8.935 -11.578 1.00 0.00 C ATOM 930 CG ASP A 58 -2.453 -9.655 -10.259 1.00 0.00 C ATOM 931 OD1 ASP A 58 -3.323 -10.336 -9.744 1.00 0.00 O ATOM 932 OD2 ASP A 58 -1.334 -9.517 -9.794 1.00 0.00 O ATOM 0 H ASP A 58 -2.994 -5.626 -11.972 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.336 -7.559 -12.015 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.425 -9.572 -12.189 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.868 -8.770 -12.143 1.00 0.00 H new ATOM 937 N GLY A 59 -3.860 -6.260 -9.366 1.00 0.00 N ATOM 938 CA GLY A 59 -4.305 -6.033 -7.979 1.00 0.00 C ATOM 939 C GLY A 59 -3.077 -5.934 -7.074 1.00 0.00 C ATOM 940 O GLY A 59 -3.172 -5.590 -5.912 1.00 0.00 O ATOM 0 H GLY A 59 -3.469 -5.444 -9.837 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.893 -5.118 -7.917 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.949 -6.849 -7.652 1.00 0.00 H new ATOM 944 N GLU A 60 -1.920 -6.232 -7.605 1.00 0.00 N ATOM 945 CA GLU A 60 -0.676 -6.156 -6.791 1.00 0.00 C ATOM 946 C GLU A 60 0.188 -5.010 -7.304 1.00 0.00 C ATOM 947 O GLU A 60 0.118 -4.633 -8.458 1.00 0.00 O ATOM 948 CB GLU A 60 0.094 -7.472 -6.916 1.00 0.00 C ATOM 949 CG GLU A 60 1.507 -7.302 -6.355 1.00 0.00 C ATOM 950 CD GLU A 60 2.338 -8.545 -6.682 1.00 0.00 C ATOM 951 OE1 GLU A 60 2.713 -8.697 -7.832 1.00 0.00 O ATOM 952 OE2 GLU A 60 2.583 -9.322 -5.775 1.00 0.00 O ATOM 0 H GLU A 60 -1.785 -6.526 -8.572 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.930 -5.983 -5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.428 -8.262 -6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.142 -7.778 -7.961 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.975 -6.415 -6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.466 -7.152 -5.276 1.00 0.00 H new ATOM 959 N VAL A 61 1.014 -4.469 -6.462 1.00 0.00 N ATOM 960 CA VAL A 61 1.902 -3.364 -6.892 1.00 0.00 C ATOM 961 C VAL A 61 3.332 -3.800 -6.616 1.00 0.00 C ATOM 962 O VAL A 61 3.597 -4.954 -6.364 1.00 0.00 O ATOM 963 CB VAL A 61 1.592 -2.087 -6.094 1.00 0.00 C ATOM 964 CG1 VAL A 61 0.610 -1.214 -6.875 1.00 0.00 C ATOM 965 CG2 VAL A 61 0.983 -2.453 -4.739 1.00 0.00 C ATOM 0 H VAL A 61 1.113 -4.748 -5.486 1.00 0.00 H new ATOM 0 HA VAL A 61 1.753 -3.148 -7.950 1.00 0.00 H new ATOM 0 HB VAL A 61 2.519 -1.536 -5.934 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.394 -0.310 -6.305 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.049 -0.941 -7.835 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.314 -1.767 -7.043 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.766 -1.543 -4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.060 -3.012 -4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.688 -3.065 -4.177 1.00 0.00 H new ATOM 975 N SER A 62 4.247 -2.894 -6.638 1.00 0.00 N ATOM 976 CA SER A 62 5.653 -3.258 -6.351 1.00 0.00 C ATOM 977 C SER A 62 6.258 -2.132 -5.508 1.00 0.00 C ATOM 978 O SER A 62 5.661 -1.090 -5.349 1.00 0.00 O ATOM 979 CB SER A 62 6.417 -3.426 -7.669 1.00 0.00 C ATOM 980 OG SER A 62 6.095 -2.346 -8.544 1.00 0.00 O ATOM 0 H SER A 62 4.086 -1.908 -6.843 1.00 0.00 H new ATOM 0 HA SER A 62 5.714 -4.200 -5.807 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.490 -3.448 -7.480 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.156 -4.376 -8.135 1.00 0.00 H new ATOM 0 HG SER A 62 6.584 -2.451 -9.387 1.00 0.00 H new ATOM 986 N PHE A 63 7.422 -2.320 -4.959 1.00 0.00 N ATOM 987 CA PHE A 63 8.030 -1.239 -4.127 1.00 0.00 C ATOM 988 C PHE A 63 8.328 -0.029 -5.016 1.00 0.00 C ATOM 989 O PHE A 63 8.645 1.043 -4.539 1.00 0.00 O ATOM 990 CB PHE A 63 9.322 -1.771 -3.511 1.00 0.00 C ATOM 991 CG PHE A 63 9.734 -0.965 -2.295 1.00 0.00 C ATOM 992 CD1 PHE A 63 8.849 -0.786 -1.220 1.00 0.00 C ATOM 993 CD2 PHE A 63 11.023 -0.422 -2.230 1.00 0.00 C ATOM 994 CE1 PHE A 63 9.254 -0.069 -0.087 1.00 0.00 C ATOM 995 CE2 PHE A 63 11.426 0.300 -1.099 1.00 0.00 C ATOM 996 CZ PHE A 63 10.543 0.474 -0.026 1.00 0.00 C ATOM 0 H PHE A 63 7.980 -3.169 -5.047 1.00 0.00 H new ATOM 0 HA PHE A 63 7.346 -0.935 -3.334 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.188 -2.815 -3.228 1.00 0.00 H new ATOM 0 HB3 PHE A 63 10.119 -1.742 -4.254 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.853 -1.202 -1.267 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.708 -0.560 -3.053 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.572 0.065 0.740 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.419 0.723 -1.055 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.856 1.026 0.848 1.00 0.00 H new ATOM 1006 N GLU A 64 8.220 -0.192 -6.307 1.00 0.00 N ATOM 1007 CA GLU A 64 8.484 0.947 -7.232 1.00 0.00 C ATOM 1008 C GLU A 64 7.244 1.848 -7.306 1.00 0.00 C ATOM 1009 O GLU A 64 7.343 3.039 -7.526 1.00 0.00 O ATOM 1010 CB GLU A 64 8.818 0.411 -8.624 1.00 0.00 C ATOM 1011 CG GLU A 64 10.252 -0.120 -8.628 1.00 0.00 C ATOM 1012 CD GLU A 64 11.029 0.513 -9.784 1.00 0.00 C ATOM 1013 OE1 GLU A 64 10.405 0.843 -10.778 1.00 0.00 O ATOM 1014 OE2 GLU A 64 12.233 0.657 -9.653 1.00 0.00 O ATOM 0 H GLU A 64 7.960 -1.067 -6.762 1.00 0.00 H new ATOM 0 HA GLU A 64 9.328 1.528 -6.859 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.123 -0.383 -8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.708 1.201 -9.367 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.739 0.110 -7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.249 -1.205 -8.730 1.00 0.00 H new ATOM 1021 N GLU A 65 6.077 1.292 -7.101 1.00 0.00 N ATOM 1022 CA GLU A 65 4.832 2.118 -7.135 1.00 0.00 C ATOM 1023 C GLU A 65 4.475 2.483 -5.698 1.00 0.00 C ATOM 1024 O GLU A 65 3.790 3.449 -5.430 1.00 0.00 O ATOM 1025 CB GLU A 65 3.686 1.319 -7.761 1.00 0.00 C ATOM 1026 CG GLU A 65 4.250 0.317 -8.768 1.00 0.00 C ATOM 1027 CD GLU A 65 5.212 1.034 -9.718 1.00 0.00 C ATOM 1028 OE1 GLU A 65 4.953 2.183 -10.035 1.00 0.00 O ATOM 1029 OE2 GLU A 65 6.190 0.422 -10.112 1.00 0.00 O ATOM 0 H GLU A 65 5.932 0.300 -6.911 1.00 0.00 H new ATOM 0 HA GLU A 65 4.993 3.015 -7.732 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.128 0.795 -6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.987 1.993 -8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.769 -0.486 -8.246 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.439 -0.142 -9.333 1.00 0.00 H new ATOM 1036 N PHE A 66 4.966 1.705 -4.774 1.00 0.00 N ATOM 1037 CA PHE A 66 4.710 1.959 -3.331 1.00 0.00 C ATOM 1038 C PHE A 66 5.523 3.176 -2.856 1.00 0.00 C ATOM 1039 O PHE A 66 5.564 3.488 -1.682 1.00 0.00 O ATOM 1040 CB PHE A 66 5.135 0.713 -2.545 1.00 0.00 C ATOM 1041 CG PHE A 66 4.468 0.743 -1.201 1.00 0.00 C ATOM 1042 CD1 PHE A 66 3.088 0.565 -1.134 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.204 1.007 -0.039 1.00 0.00 C ATOM 1044 CE1 PHE A 66 2.427 0.664 0.084 1.00 0.00 C ATOM 1045 CE2 PHE A 66 4.542 1.090 1.191 1.00 0.00 C ATOM 1046 CZ PHE A 66 3.149 0.928 1.246 1.00 0.00 C ATOM 0 H PHE A 66 5.546 0.887 -4.964 1.00 0.00 H new ATOM 0 HA PHE A 66 3.652 2.167 -3.170 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.854 -0.190 -3.087 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.219 0.690 -2.429 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.529 0.349 -2.033 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.274 1.145 -0.092 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.356 0.537 0.130 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.101 1.278 2.095 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.635 1.008 2.192 1.00 0.00 H new ATOM 1056 N GLN A 67 6.162 3.867 -3.763 1.00 0.00 N ATOM 1057 CA GLN A 67 6.968 5.071 -3.378 1.00 0.00 C ATOM 1058 C GLN A 67 6.049 6.273 -3.246 1.00 0.00 C ATOM 1059 O GLN A 67 6.232 7.128 -2.408 1.00 0.00 O ATOM 1060 CB GLN A 67 8.036 5.368 -4.432 1.00 0.00 C ATOM 1061 CG GLN A 67 8.860 4.113 -4.716 1.00 0.00 C ATOM 1062 CD GLN A 67 9.955 3.947 -3.644 1.00 0.00 C ATOM 1063 OE1 GLN A 67 10.861 4.754 -3.573 1.00 0.00 O ATOM 1064 NE2 GLN A 67 9.923 2.938 -2.800 1.00 0.00 N ATOM 0 H GLN A 67 6.162 3.651 -4.760 1.00 0.00 H new ATOM 0 HA GLN A 67 7.460 4.869 -2.427 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.564 5.718 -5.350 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.688 6.169 -4.084 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.212 3.237 -4.724 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.315 4.182 -5.704 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.167 2.255 -2.850 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.654 2.839 -2.095 1.00 0.00 H new ATOM 1073 N VAL A 68 5.065 6.349 -4.078 1.00 0.00 N ATOM 1074 CA VAL A 68 4.126 7.500 -3.996 1.00 0.00 C ATOM 1075 C VAL A 68 3.620 7.608 -2.553 1.00 0.00 C ATOM 1076 O VAL A 68 3.255 8.668 -2.083 1.00 0.00 O ATOM 1077 CB VAL A 68 2.950 7.267 -4.940 1.00 0.00 C ATOM 1078 CG1 VAL A 68 2.306 8.610 -5.275 1.00 0.00 C ATOM 1079 CG2 VAL A 68 3.457 6.607 -6.224 1.00 0.00 C ATOM 0 H VAL A 68 4.864 5.670 -4.812 1.00 0.00 H new ATOM 0 HA VAL A 68 4.632 8.422 -4.284 1.00 0.00 H new ATOM 0 HB VAL A 68 2.215 6.617 -4.465 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.464 8.452 -5.949 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.953 9.083 -4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.040 9.256 -5.756 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.620 6.439 -6.902 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.187 7.258 -6.704 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.926 5.653 -5.982 1.00 0.00 H new ATOM 1089 N LEU A 69 3.614 6.509 -1.851 1.00 0.00 N ATOM 1090 CA LEU A 69 3.156 6.506 -0.430 1.00 0.00 C ATOM 1091 C LEU A 69 4.314 6.926 0.455 1.00 0.00 C ATOM 1092 O LEU A 69 4.131 7.477 1.517 1.00 0.00 O ATOM 1093 CB LEU A 69 2.805 5.076 -0.024 1.00 0.00 C ATOM 1094 CG LEU A 69 1.547 5.004 0.867 1.00 0.00 C ATOM 1095 CD1 LEU A 69 1.786 3.968 1.962 1.00 0.00 C ATOM 1096 CD2 LEU A 69 1.247 6.353 1.533 1.00 0.00 C ATOM 0 H LEU A 69 3.911 5.600 -2.205 1.00 0.00 H new ATOM 0 HA LEU A 69 2.301 7.174 -0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.646 4.476 -0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.648 4.636 0.508 1.00 0.00 H new ATOM 0 HG LEU A 69 0.698 4.734 0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.905 3.905 2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.975 2.995 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.648 4.263 2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.354 6.263 2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.092 6.647 2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.081 7.109 0.765 1.00 0.00 H new ATOM 1108 N VAL A 70 5.507 6.615 0.046 1.00 0.00 N ATOM 1109 CA VAL A 70 6.676 6.960 0.880 1.00 0.00 C ATOM 1110 C VAL A 70 6.727 8.483 1.062 1.00 0.00 C ATOM 1111 O VAL A 70 7.165 8.986 2.078 1.00 0.00 O ATOM 1112 CB VAL A 70 7.962 6.460 0.210 1.00 0.00 C ATOM 1113 CG1 VAL A 70 8.416 7.435 -0.883 1.00 0.00 C ATOM 1114 CG2 VAL A 70 9.056 6.347 1.265 1.00 0.00 C ATOM 0 H VAL A 70 5.720 6.137 -0.830 1.00 0.00 H new ATOM 0 HA VAL A 70 6.587 6.482 1.856 1.00 0.00 H new ATOM 0 HB VAL A 70 7.770 5.489 -0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.330 7.063 -1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.636 7.523 -1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.606 8.413 -0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.975 5.992 0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.231 7.325 1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.745 5.643 2.037 1.00 0.00 H new ATOM 1124 N LYS A 71 6.261 9.214 0.083 1.00 0.00 N ATOM 1125 CA LYS A 71 6.253 10.700 0.183 1.00 0.00 C ATOM 1126 C LYS A 71 4.954 11.136 0.861 1.00 0.00 C ATOM 1127 O LYS A 71 4.557 12.283 0.806 1.00 0.00 O ATOM 1128 CB LYS A 71 6.319 11.298 -1.212 1.00 0.00 C ATOM 1129 CG LYS A 71 7.777 11.500 -1.627 1.00 0.00 C ATOM 1130 CD LYS A 71 7.836 11.795 -3.129 1.00 0.00 C ATOM 1131 CE LYS A 71 8.395 10.578 -3.871 1.00 0.00 C ATOM 1132 NZ LYS A 71 7.910 10.590 -5.282 1.00 0.00 N ATOM 0 H LYS A 71 5.883 8.840 -0.788 1.00 0.00 H new ATOM 0 HA LYS A 71 7.110 11.041 0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.818 10.640 -1.922 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.791 12.251 -1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.217 12.324 -1.065 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.360 10.609 -1.396 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.840 12.035 -3.502 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.464 12.666 -3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.485 10.595 -3.850 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.080 9.660 -3.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.289 9.764 -5.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.871 10.555 -5.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.231 11.460 -5.752 1.00 0.00 H new ATOM 1146 N LYS A 72 4.289 10.207 1.488 1.00 0.00 N ATOM 1147 CA LYS A 72 3.010 10.498 2.168 1.00 0.00 C ATOM 1148 C LYS A 72 3.153 10.209 3.665 1.00 0.00 C ATOM 1149 O LYS A 72 2.209 10.331 4.421 1.00 0.00 O ATOM 1150 CB LYS A 72 1.930 9.588 1.587 1.00 0.00 C ATOM 1151 CG LYS A 72 1.047 10.393 0.638 1.00 0.00 C ATOM 1152 CD LYS A 72 1.920 11.154 -0.360 1.00 0.00 C ATOM 1153 CE LYS A 72 1.221 11.194 -1.720 1.00 0.00 C ATOM 1154 NZ LYS A 72 0.088 12.161 -1.670 1.00 0.00 N ATOM 0 H LYS A 72 4.592 9.235 1.555 1.00 0.00 H new ATOM 0 HA LYS A 72 2.742 11.544 2.022 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.389 8.754 1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.327 9.162 2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.367 9.727 0.107 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.432 11.092 1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.101 12.167 -0.002 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.892 10.670 -0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.929 11.487 -2.496 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.854 10.201 -1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.387 12.188 -2.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.591 11.863 -0.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.450 13.108 -1.439 1.00 0.00 H new ATOM 1168 N ILE A 73 4.316 9.793 4.099 1.00 0.00 N ATOM 1169 CA ILE A 73 4.489 9.462 5.540 1.00 0.00 C ATOM 1170 C ILE A 73 5.552 10.287 6.189 1.00 0.00 C ATOM 1171 O ILE A 73 5.380 10.830 7.263 1.00 0.00 O ATOM 1172 CB ILE A 73 5.023 8.046 5.702 1.00 0.00 C ATOM 1173 CG1 ILE A 73 4.793 7.237 4.442 1.00 0.00 C ATOM 1174 CG2 ILE A 73 4.389 7.406 6.911 1.00 0.00 C ATOM 1175 CD1 ILE A 73 3.309 6.920 4.275 1.00 0.00 C ATOM 0 H ILE A 73 5.146 9.670 3.520 1.00 0.00 H new ATOM 0 HA ILE A 73 3.507 9.624 5.984 1.00 0.00 H new ATOM 0 HB ILE A 73 6.101 8.079 5.861 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.152 7.792 3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.366 6.311 4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.771 6.392 7.028 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.630 7.989 7.800 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.307 7.374 6.780 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.161 6.338 3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.961 6.345 5.133 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.744 7.850 4.207 1.00 0.00 H new ATOM 1187 N SER A 74 6.707 10.254 5.610 1.00 0.00 N ATOM 1188 CA SER A 74 7.833 10.891 6.265 1.00 0.00 C ATOM 1189 C SER A 74 7.428 12.265 6.809 1.00 0.00 C ATOM 1190 O SER A 74 7.449 12.506 7.999 1.00 0.00 O ATOM 1191 CB SER A 74 9.008 11.033 5.297 1.00 0.00 C ATOM 1192 OG SER A 74 8.773 10.226 4.151 1.00 0.00 O ATOM 0 H SER A 74 6.907 9.811 4.713 1.00 0.00 H new ATOM 0 HA SER A 74 8.144 10.262 7.099 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.128 12.076 5.003 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.935 10.731 5.785 1.00 0.00 H new ATOM 0 HG SER A 74 9.524 10.316 3.528 1.00 0.00 H new ATOM 1198 N GLN A 75 7.053 13.163 5.939 1.00 0.00 N ATOM 1199 CA GLN A 75 6.638 14.521 6.393 1.00 0.00 C ATOM 1200 C GLN A 75 5.163 14.739 6.053 1.00 0.00 C ATOM 1201 O GLN A 75 4.642 13.985 5.247 1.00 0.00 O ATOM 1202 CB GLN A 75 7.488 15.579 5.682 1.00 0.00 C ATOM 1203 CG GLN A 75 8.023 16.579 6.709 1.00 0.00 C ATOM 1204 CD GLN A 75 9.335 17.181 6.200 1.00 0.00 C ATOM 1205 OE1 GLN A 75 10.246 16.464 5.833 1.00 0.00 O ATOM 1206 NE2 GLN A 75 9.471 18.477 6.165 1.00 0.00 N ATOM 1207 OXT GLN A 75 4.577 15.657 6.605 1.00 0.00 O ATOM 0 H GLN A 75 7.016 13.014 4.931 1.00 0.00 H new ATOM 0 HA GLN A 75 6.781 14.606 7.470 1.00 0.00 H new ATOM 0 HB2 GLN A 75 8.316 15.103 5.157 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.890 16.097 4.932 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.291 17.368 6.880 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.185 16.082 7.666 1.00 0.00 H new ATOM 0 HE21 GLN A 75 8.707 19.078 6.473 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.342 18.890 5.830 1.00 0.00 H new TER 1216 GLN A 75