USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 625 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 60 ASN : amide:sc= -0.479 X(o=-0.73,f=-0.8) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.255 X(o=-0.73,f=-0.79) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.293 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.29 K(o=0.58,f=-0.11) USER MOD Set 3.1: A 7 THR OG1 : rot 125:sc= 1.52 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.838 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 140:sc= 0.439 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 176:sc= 0.411 USER MOD Single : A 1 MET CE :methyl -168:sc= -0.086 (180deg=-0.414) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0.241 X(o=0.24,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -138:sc= 0.892 (180deg=0.258) USER MOD Single : A 14 THR OG1 : rot -82:sc= 0.127 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= 1.04 (180deg=0.79) USER MOD Single : A 31 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.35) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 1.09 K(o=1.1,f=-0.04) USER MOD Single : A 41 ASN : amide:sc= -0.248 K(o=-0.25,f=-2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0422 K(o=-0.042,f=-0.8) USER MOD Single : A 55 THR OG1 : rot -44:sc= 1.31 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 170:sc= 0.499 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -116:sc= 1.31 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.878 -4.969 -0.329 1.00 0.00 N ATOM 2 CA MET A 1 13.961 -4.209 0.534 1.00 0.00 C ATOM 3 C MET A 1 12.567 -4.775 0.365 1.00 0.00 C ATOM 4 O MET A 1 12.059 -4.775 -0.756 1.00 0.00 O ATOM 5 CB MET A 1 14.006 -2.715 0.179 1.00 0.00 C ATOM 6 CG MET A 1 12.878 -1.888 0.807 1.00 0.00 C ATOM 7 SD MET A 1 12.942 -0.131 0.371 1.00 0.00 S ATOM 8 CE MET A 1 11.702 0.516 1.515 1.00 0.00 C ATOM 0 H1 MET A 1 15.843 -4.594 -0.226 1.00 0.00 H new ATOM 0 H2 MET A 1 14.865 -5.971 -0.052 1.00 0.00 H new ATOM 0 H3 MET A 1 14.576 -4.880 -1.320 1.00 0.00 H new ATOM 0 HA MET A 1 14.262 -4.301 1.578 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.964 -2.305 0.499 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.960 -2.609 -0.905 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.919 -2.298 0.491 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.926 -1.987 1.891 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.456 1.542 1.243 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.803 -0.099 1.463 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.098 0.495 2.530 1.00 0.00 H new ATOM 18 N GLN A 2 11.956 -5.296 1.429 1.00 0.00 N ATOM 19 CA GLN A 2 10.603 -5.823 1.339 1.00 0.00 C ATOM 20 C GLN A 2 9.705 -5.067 2.308 1.00 0.00 C ATOM 21 O GLN A 2 10.188 -4.418 3.232 1.00 0.00 O ATOM 22 CB GLN A 2 10.553 -7.351 1.516 1.00 0.00 C ATOM 23 CG GLN A 2 10.979 -7.856 2.900 1.00 0.00 C ATOM 24 CD GLN A 2 10.570 -9.316 3.079 1.00 0.00 C ATOM 25 OE1 GLN A 2 11.002 -10.202 2.347 1.00 0.00 O ATOM 26 NE2 GLN A 2 9.730 -9.620 4.055 1.00 0.00 N ATOM 0 H GLN A 2 12.377 -5.362 2.356 1.00 0.00 H new ATOM 0 HA GLN A 2 10.222 -5.657 0.331 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.537 -7.692 1.318 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.195 -7.810 0.764 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.058 -7.757 3.015 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.518 -7.244 3.676 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.369 -8.886 4.665 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.443 -10.588 4.198 1.00 0.00 H new ATOM 35 N ILE A 3 8.407 -5.067 2.053 1.00 0.00 N ATOM 36 CA ILE A 3 7.403 -4.433 2.891 1.00 0.00 C ATOM 37 C ILE A 3 6.281 -5.451 3.077 1.00 0.00 C ATOM 38 O ILE A 3 6.220 -6.467 2.372 1.00 0.00 O ATOM 39 CB ILE A 3 6.922 -3.083 2.309 1.00 0.00 C ATOM 40 CG1 ILE A 3 6.310 -3.248 0.898 1.00 0.00 C ATOM 41 CG2 ILE A 3 8.079 -2.065 2.324 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.573 -2.001 0.401 1.00 0.00 C ATOM 0 H ILE A 3 8.011 -5.523 1.231 1.00 0.00 H new ATOM 0 HA ILE A 3 7.818 -4.164 3.862 1.00 0.00 H new ATOM 0 HB ILE A 3 6.121 -2.700 2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.104 -3.496 0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.618 -4.090 0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.734 -1.116 1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.418 -1.915 3.349 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.904 -2.443 1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.170 -2.189 -0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.757 -1.764 1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.266 -1.161 0.359 1.00 0.00 H new ATOM 54 N PHE A 4 5.363 -5.158 3.986 1.00 0.00 N ATOM 55 CA PHE A 4 4.221 -5.990 4.291 1.00 0.00 C ATOM 56 C PHE A 4 2.978 -5.122 4.160 1.00 0.00 C ATOM 57 O PHE A 4 3.032 -3.908 4.366 1.00 0.00 O ATOM 58 CB PHE A 4 4.343 -6.572 5.705 1.00 0.00 C ATOM 59 CG PHE A 4 5.567 -7.433 5.955 1.00 0.00 C ATOM 60 CD1 PHE A 4 5.558 -8.801 5.619 1.00 0.00 C ATOM 61 CD2 PHE A 4 6.702 -6.876 6.574 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.666 -9.611 5.929 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.814 -7.683 6.866 1.00 0.00 C ATOM 64 CZ PHE A 4 7.790 -9.054 6.563 1.00 0.00 C ATOM 0 H PHE A 4 5.399 -4.306 4.546 1.00 0.00 H new ATOM 0 HA PHE A 4 4.163 -6.834 3.603 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.348 -5.748 6.419 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.454 -7.167 5.912 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.699 -9.229 5.123 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.718 -5.826 6.825 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.653 -10.662 5.680 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.690 -7.248 7.325 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.633 -9.679 6.817 1.00 0.00 H new ATOM 74 N VAL A 5 1.844 -5.720 3.812 1.00 0.00 N ATOM 75 CA VAL A 5 0.590 -4.990 3.677 1.00 0.00 C ATOM 76 C VAL A 5 -0.514 -5.848 4.288 1.00 0.00 C ATOM 77 O VAL A 5 -0.561 -7.053 4.044 1.00 0.00 O ATOM 78 CB VAL A 5 0.302 -4.602 2.206 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.758 -3.492 2.175 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.533 -4.101 1.425 1.00 0.00 C ATOM 0 H VAL A 5 1.768 -6.718 3.617 1.00 0.00 H new ATOM 0 HA VAL A 5 0.647 -4.041 4.211 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.036 -5.517 1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.965 -3.215 1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.674 -3.850 2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.389 -2.621 2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.240 -3.852 0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.938 -3.214 1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.293 -4.882 1.404 1.00 0.00 H new ATOM 90 N LYS A 6 -1.332 -5.288 5.174 1.00 0.00 N ATOM 91 CA LYS A 6 -2.458 -5.976 5.805 1.00 0.00 C ATOM 92 C LYS A 6 -3.677 -5.592 4.972 1.00 0.00 C ATOM 93 O LYS A 6 -3.922 -4.394 4.801 1.00 0.00 O ATOM 94 CB LYS A 6 -2.642 -5.613 7.289 1.00 0.00 C ATOM 95 CG LYS A 6 -3.649 -6.582 7.950 1.00 0.00 C ATOM 96 CD LYS A 6 -3.024 -7.910 8.407 1.00 0.00 C ATOM 97 CE LYS A 6 -2.266 -7.747 9.730 1.00 0.00 C ATOM 98 NZ LYS A 6 -1.509 -8.962 10.100 1.00 0.00 N ATOM 0 H LYS A 6 -1.230 -4.321 5.482 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.291 -7.053 5.820 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.684 -5.663 7.806 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.999 -4.587 7.379 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.102 -6.089 8.810 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.452 -6.793 7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.806 -8.660 8.524 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.343 -8.277 7.639 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.579 -6.905 9.650 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.974 -7.507 10.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.587 -8.689 10.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.045 -9.502 10.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.362 -9.550 9.255 1.00 0.00 H new ATOM 112 N THR A 7 -4.360 -6.555 4.359 1.00 0.00 N ATOM 113 CA THR A 7 -5.527 -6.249 3.543 1.00 0.00 C ATOM 114 C THR A 7 -6.681 -5.819 4.450 1.00 0.00 C ATOM 115 O THR A 7 -6.650 -6.024 5.673 1.00 0.00 O ATOM 116 CB THR A 7 -5.952 -7.475 2.712 1.00 0.00 C ATOM 117 OG1 THR A 7 -6.413 -8.501 3.561 1.00 0.00 O ATOM 118 CG2 THR A 7 -4.823 -8.015 1.831 1.00 0.00 C ATOM 0 H THR A 7 -4.126 -7.546 4.412 1.00 0.00 H new ATOM 0 HA THR A 7 -5.271 -5.441 2.858 1.00 0.00 H new ATOM 0 HB THR A 7 -6.753 -7.142 2.052 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.315 -8.771 3.288 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.181 -8.878 1.269 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.500 -7.239 1.137 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.983 -8.313 2.458 1.00 0.00 H new ATOM 126 N LEU A 8 -7.732 -5.256 3.846 1.00 0.00 N ATOM 127 CA LEU A 8 -8.903 -4.832 4.608 1.00 0.00 C ATOM 128 C LEU A 8 -9.656 -6.039 5.186 1.00 0.00 C ATOM 129 O LEU A 8 -10.504 -5.856 6.054 1.00 0.00 O ATOM 130 CB LEU A 8 -9.847 -3.973 3.742 1.00 0.00 C ATOM 131 CG LEU A 8 -10.811 -4.743 2.810 1.00 0.00 C ATOM 132 CD1 LEU A 8 -11.845 -3.771 2.251 1.00 0.00 C ATOM 133 CD2 LEU A 8 -10.101 -5.408 1.633 1.00 0.00 C ATOM 0 H LEU A 8 -7.793 -5.086 2.842 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.550 -4.221 5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.441 -3.344 4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.239 -3.307 3.130 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.272 -5.528 3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.529 -4.306 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.406 -3.325 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.340 -2.986 1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.831 -5.932 1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.599 -4.648 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.365 -6.119 2.007 1.00 0.00 H new ATOM 145 N THR A 9 -9.347 -7.255 4.733 1.00 0.00 N ATOM 146 CA THR A 9 -9.963 -8.490 5.186 1.00 0.00 C ATOM 147 C THR A 9 -9.146 -9.140 6.307 1.00 0.00 C ATOM 148 O THR A 9 -9.628 -10.087 6.933 1.00 0.00 O ATOM 149 CB THR A 9 -10.155 -9.440 3.990 1.00 0.00 C ATOM 150 OG1 THR A 9 -8.980 -9.595 3.209 1.00 0.00 O ATOM 151 CG2 THR A 9 -11.254 -8.934 3.055 1.00 0.00 C ATOM 0 H THR A 9 -8.637 -7.406 4.017 1.00 0.00 H new ATOM 0 HA THR A 9 -10.943 -8.265 5.606 1.00 0.00 H new ATOM 0 HB THR A 9 -10.423 -10.400 4.431 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.159 -10.209 2.466 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.367 -9.625 2.220 1.00 0.00 H new ATOM 0 HG22 THR A 9 -12.195 -8.868 3.602 1.00 0.00 H new ATOM 0 HG23 THR A 9 -10.984 -7.948 2.677 1.00 0.00 H new ATOM 159 N GLY A 10 -7.912 -8.689 6.550 1.00 0.00 N ATOM 160 CA GLY A 10 -7.047 -9.239 7.582 1.00 0.00 C ATOM 161 C GLY A 10 -5.982 -10.186 7.042 1.00 0.00 C ATOM 162 O GLY A 10 -5.277 -10.822 7.830 1.00 0.00 O ATOM 0 H GLY A 10 -7.487 -7.924 6.027 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.559 -8.420 8.111 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.658 -9.770 8.312 1.00 0.00 H new ATOM 166 N LYS A 11 -5.833 -10.299 5.717 1.00 0.00 N ATOM 167 CA LYS A 11 -4.812 -11.172 5.144 1.00 0.00 C ATOM 168 C LYS A 11 -3.516 -10.373 5.261 1.00 0.00 C ATOM 169 O LYS A 11 -3.521 -9.148 5.417 1.00 0.00 O ATOM 170 CB LYS A 11 -5.143 -11.493 3.662 1.00 0.00 C ATOM 171 CG LYS A 11 -5.214 -12.992 3.321 1.00 0.00 C ATOM 172 CD LYS A 11 -3.874 -13.745 3.243 1.00 0.00 C ATOM 173 CE LYS A 11 -2.949 -13.329 2.087 1.00 0.00 C ATOM 174 NZ LYS A 11 -3.551 -13.539 0.755 1.00 0.00 N ATOM 0 H LYS A 11 -6.401 -9.802 5.031 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.745 -12.133 5.655 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.099 -11.033 3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.389 -11.027 3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.837 -13.482 4.069 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.722 -13.100 2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.340 -13.601 4.182 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.081 -14.812 3.154 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.689 -12.276 2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.020 -13.895 2.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.838 -13.936 0.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.350 -14.199 0.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.889 -12.630 0.380 1.00 0.00 H new ATOM 188 N THR A 12 -2.390 -11.049 5.100 1.00 0.00 N ATOM 189 CA THR A 12 -1.081 -10.435 5.202 1.00 0.00 C ATOM 190 C THR A 12 -0.380 -10.717 3.879 1.00 0.00 C ATOM 191 O THR A 12 -0.393 -11.856 3.405 1.00 0.00 O ATOM 192 CB THR A 12 -0.410 -11.083 6.425 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.103 -10.707 7.607 1.00 0.00 O ATOM 194 CG2 THR A 12 1.081 -10.780 6.569 1.00 0.00 C ATOM 0 H THR A 12 -2.361 -12.047 4.893 1.00 0.00 H new ATOM 0 HA THR A 12 -1.074 -9.355 5.353 1.00 0.00 H new ATOM 0 HB THR A 12 -0.473 -12.159 6.265 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.714 -11.173 8.376 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.469 -11.278 7.458 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.613 -11.142 5.689 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.226 -9.704 6.663 1.00 0.00 H new ATOM 202 N ILE A 13 0.191 -9.670 3.291 1.00 0.00 N ATOM 203 CA ILE A 13 0.925 -9.650 2.034 1.00 0.00 C ATOM 204 C ILE A 13 2.368 -9.254 2.342 1.00 0.00 C ATOM 205 O ILE A 13 2.601 -8.534 3.318 1.00 0.00 O ATOM 206 CB ILE A 13 0.273 -8.633 1.064 1.00 0.00 C ATOM 207 CG1 ILE A 13 -1.269 -8.690 1.041 1.00 0.00 C ATOM 208 CG2 ILE A 13 0.819 -8.756 -0.372 1.00 0.00 C ATOM 209 CD1 ILE A 13 -1.849 -10.026 0.558 1.00 0.00 C ATOM 0 H ILE A 13 0.148 -8.743 3.715 1.00 0.00 H new ATOM 0 HA ILE A 13 0.904 -10.630 1.557 1.00 0.00 H new ATOM 0 HB ILE A 13 0.555 -7.660 1.467 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.642 -8.488 2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.640 -7.893 0.396 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.330 -8.021 -1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.894 -8.576 -0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.620 -9.758 -0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.938 -9.977 0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.510 -10.224 -0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.512 -10.828 1.215 1.00 0.00 H new ATOM 221 N THR A 14 3.291 -9.654 1.474 1.00 0.00 N ATOM 222 CA THR A 14 4.724 -9.396 1.502 1.00 0.00 C ATOM 223 C THR A 14 5.097 -9.000 0.062 1.00 0.00 C ATOM 224 O THR A 14 4.660 -9.684 -0.867 1.00 0.00 O ATOM 225 CB THR A 14 5.467 -10.651 1.986 1.00 0.00 C ATOM 226 OG1 THR A 14 4.858 -11.191 3.150 1.00 0.00 O ATOM 227 CG2 THR A 14 6.931 -10.338 2.306 1.00 0.00 C ATOM 0 H THR A 14 3.032 -10.216 0.663 1.00 0.00 H new ATOM 0 HA THR A 14 5.003 -8.600 2.193 1.00 0.00 H new ATOM 0 HB THR A 14 5.417 -11.379 1.176 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.174 -10.704 3.940 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.431 -11.245 2.646 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.427 -9.964 1.411 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.979 -9.582 3.090 1.00 0.00 H new ATOM 235 N LEU A 15 5.819 -7.896 -0.156 1.00 0.00 N ATOM 236 CA LEU A 15 6.221 -7.415 -1.486 1.00 0.00 C ATOM 237 C LEU A 15 7.655 -6.906 -1.467 1.00 0.00 C ATOM 238 O LEU A 15 8.112 -6.446 -0.422 1.00 0.00 O ATOM 239 CB LEU A 15 5.331 -6.242 -1.930 1.00 0.00 C ATOM 240 CG LEU A 15 3.879 -6.605 -2.268 1.00 0.00 C ATOM 241 CD1 LEU A 15 3.133 -5.311 -2.610 1.00 0.00 C ATOM 242 CD2 LEU A 15 3.785 -7.589 -3.439 1.00 0.00 C ATOM 0 H LEU A 15 6.148 -7.298 0.602 1.00 0.00 H new ATOM 0 HA LEU A 15 6.122 -8.256 -2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.325 -5.493 -1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.784 -5.776 -2.805 1.00 0.00 H new ATOM 0 HG LEU A 15 3.431 -7.099 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.096 -5.542 -2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.162 -4.637 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.609 -4.832 -3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.738 -7.816 -3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.237 -7.144 -4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.313 -8.508 -3.185 1.00 0.00 H new ATOM 254 N GLU A 16 8.352 -6.990 -2.600 1.00 0.00 N ATOM 255 CA GLU A 16 9.726 -6.539 -2.786 1.00 0.00 C ATOM 256 C GLU A 16 9.639 -5.206 -3.528 1.00 0.00 C ATOM 257 O GLU A 16 9.102 -5.120 -4.637 1.00 0.00 O ATOM 258 CB GLU A 16 10.542 -7.608 -3.520 1.00 0.00 C ATOM 259 CG GLU A 16 12.037 -7.263 -3.556 1.00 0.00 C ATOM 260 CD GLU A 16 12.853 -8.485 -3.982 1.00 0.00 C ATOM 261 OE1 GLU A 16 12.971 -8.743 -5.200 1.00 0.00 O ATOM 262 OE2 GLU A 16 13.294 -9.249 -3.095 1.00 0.00 O ATOM 0 H GLU A 16 7.955 -7.392 -3.449 1.00 0.00 H new ATOM 0 HA GLU A 16 10.252 -6.387 -1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.404 -8.571 -3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.169 -7.713 -4.539 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.211 -6.441 -4.250 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.363 -6.924 -2.573 1.00 0.00 H new ATOM 269 N VAL A 17 10.118 -4.140 -2.895 1.00 0.00 N ATOM 270 CA VAL A 17 10.084 -2.780 -3.420 1.00 0.00 C ATOM 271 C VAL A 17 11.468 -2.133 -3.289 1.00 0.00 C ATOM 272 O VAL A 17 12.460 -2.799 -2.988 1.00 0.00 O ATOM 273 CB VAL A 17 8.959 -2.003 -2.691 1.00 0.00 C ATOM 274 CG1 VAL A 17 7.579 -2.656 -2.887 1.00 0.00 C ATOM 275 CG2 VAL A 17 9.225 -1.872 -1.181 1.00 0.00 C ATOM 0 H VAL A 17 10.554 -4.201 -1.975 1.00 0.00 H new ATOM 0 HA VAL A 17 9.852 -2.769 -4.485 1.00 0.00 H new ATOM 0 HB VAL A 17 8.956 -1.011 -3.143 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.823 -2.076 -2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.337 -2.683 -3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.598 -3.672 -2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.409 -1.320 -0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.293 -2.865 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.162 -1.338 -1.022 1.00 0.00 H new ATOM 285 N GLU A 18 11.548 -0.834 -3.548 1.00 0.00 N ATOM 286 CA GLU A 18 12.752 -0.026 -3.463 1.00 0.00 C ATOM 287 C GLU A 18 12.317 1.352 -2.948 1.00 0.00 C ATOM 288 O GLU A 18 11.135 1.700 -3.072 1.00 0.00 O ATOM 289 CB GLU A 18 13.441 0.060 -4.844 1.00 0.00 C ATOM 290 CG GLU A 18 12.550 0.696 -5.926 1.00 0.00 C ATOM 291 CD GLU A 18 13.241 0.864 -7.277 1.00 0.00 C ATOM 292 OE1 GLU A 18 13.244 -0.124 -8.056 1.00 0.00 O ATOM 293 OE2 GLU A 18 13.723 1.981 -7.563 1.00 0.00 O ATOM 0 H GLU A 18 10.734 -0.292 -3.837 1.00 0.00 H new ATOM 0 HA GLU A 18 13.485 -0.463 -2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.358 0.641 -4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.729 -0.942 -5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.660 0.080 -6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.213 1.672 -5.577 1.00 0.00 H new ATOM 300 N PRO A 19 13.224 2.181 -2.402 1.00 0.00 N ATOM 301 CA PRO A 19 12.877 3.514 -1.921 1.00 0.00 C ATOM 302 C PRO A 19 12.261 4.400 -3.009 1.00 0.00 C ATOM 303 O PRO A 19 11.591 5.373 -2.671 1.00 0.00 O ATOM 304 CB PRO A 19 14.175 4.132 -1.399 1.00 0.00 C ATOM 305 CG PRO A 19 14.999 2.903 -1.044 1.00 0.00 C ATOM 306 CD PRO A 19 14.636 1.930 -2.165 1.00 0.00 C ATOM 0 HA PRO A 19 12.116 3.438 -1.144 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.665 4.746 -2.154 1.00 0.00 H new ATOM 0 HB3 PRO A 19 14.002 4.770 -0.532 1.00 0.00 H new ATOM 0 HG2 PRO A 19 16.067 3.121 -1.025 1.00 0.00 H new ATOM 0 HG3 PRO A 19 14.737 2.508 -0.062 1.00 0.00 H new ATOM 0 HD2 PRO A 19 15.230 2.113 -3.060 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.814 0.896 -1.870 1.00 0.00 H new ATOM 314 N SER A 20 12.424 4.067 -4.288 1.00 0.00 N ATOM 315 CA SER A 20 11.900 4.857 -5.386 1.00 0.00 C ATOM 316 C SER A 20 10.822 4.093 -6.162 1.00 0.00 C ATOM 317 O SER A 20 10.604 4.361 -7.339 1.00 0.00 O ATOM 318 CB SER A 20 13.087 5.301 -6.249 1.00 0.00 C ATOM 319 OG SER A 20 14.020 5.996 -5.426 1.00 0.00 O ATOM 0 H SER A 20 12.929 3.233 -4.588 1.00 0.00 H new ATOM 0 HA SER A 20 11.390 5.747 -5.017 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.563 4.435 -6.710 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.745 5.946 -7.058 1.00 0.00 H new ATOM 0 HG SER A 20 14.784 6.283 -5.968 1.00 0.00 H new ATOM 325 N ASP A 21 10.061 3.229 -5.485 1.00 0.00 N ATOM 326 CA ASP A 21 8.967 2.499 -6.127 1.00 0.00 C ATOM 327 C ASP A 21 7.789 3.444 -5.878 1.00 0.00 C ATOM 328 O ASP A 21 7.613 3.939 -4.752 1.00 0.00 O ATOM 329 CB ASP A 21 8.737 1.124 -5.472 1.00 0.00 C ATOM 330 CG ASP A 21 7.821 0.193 -6.277 1.00 0.00 C ATOM 331 OD1 ASP A 21 7.102 -0.611 -5.643 1.00 0.00 O ATOM 332 OD2 ASP A 21 7.896 0.200 -7.526 1.00 0.00 O ATOM 0 H ASP A 21 10.183 3.019 -4.494 1.00 0.00 H new ATOM 0 HA ASP A 21 9.143 2.270 -7.178 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.701 0.635 -5.331 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.307 1.273 -4.482 1.00 0.00 H new ATOM 337 N THR A 22 7.026 3.787 -6.913 1.00 0.00 N ATOM 338 CA THR A 22 5.902 4.702 -6.746 1.00 0.00 C ATOM 339 C THR A 22 4.785 4.000 -5.975 1.00 0.00 C ATOM 340 O THR A 22 4.666 2.772 -6.011 1.00 0.00 O ATOM 341 CB THR A 22 5.422 5.168 -8.137 1.00 0.00 C ATOM 342 OG1 THR A 22 5.291 4.073 -9.027 1.00 0.00 O ATOM 343 CG2 THR A 22 6.388 6.174 -8.767 1.00 0.00 C ATOM 0 H THR A 22 7.164 3.449 -7.866 1.00 0.00 H new ATOM 0 HA THR A 22 6.206 5.579 -6.175 1.00 0.00 H new ATOM 0 HB THR A 22 4.454 5.643 -7.979 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.984 4.396 -9.900 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.012 6.476 -9.745 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.471 7.050 -8.124 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.369 5.713 -8.882 1.00 0.00 H new ATOM 351 N ILE A 23 3.891 4.774 -5.348 1.00 0.00 N ATOM 352 CA ILE A 23 2.767 4.174 -4.624 1.00 0.00 C ATOM 353 C ILE A 23 1.904 3.433 -5.646 1.00 0.00 C ATOM 354 O ILE A 23 1.275 2.439 -5.309 1.00 0.00 O ATOM 355 CB ILE A 23 1.987 5.230 -3.820 1.00 0.00 C ATOM 356 CG1 ILE A 23 2.852 5.836 -2.695 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.672 4.685 -3.230 1.00 0.00 C ATOM 358 CD1 ILE A 23 3.536 4.844 -1.747 1.00 0.00 C ATOM 0 H ILE A 23 3.922 5.793 -5.327 1.00 0.00 H new ATOM 0 HA ILE A 23 3.121 3.462 -3.878 1.00 0.00 H new ATOM 0 HB ILE A 23 1.728 6.013 -4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.622 6.456 -3.154 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.223 6.498 -2.100 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.167 5.475 -2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.026 4.340 -4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.891 3.854 -2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.113 5.392 -1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.780 4.238 -1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.202 4.196 -2.317 1.00 0.00 H new ATOM 370 N GLU A 24 1.893 3.903 -6.891 1.00 0.00 N ATOM 371 CA GLU A 24 1.174 3.333 -8.010 1.00 0.00 C ATOM 372 C GLU A 24 1.601 1.876 -8.180 1.00 0.00 C ATOM 373 O GLU A 24 0.741 1.000 -8.265 1.00 0.00 O ATOM 374 CB GLU A 24 1.505 4.228 -9.205 1.00 0.00 C ATOM 375 CG GLU A 24 1.096 3.746 -10.598 1.00 0.00 C ATOM 376 CD GLU A 24 1.431 4.843 -11.605 1.00 0.00 C ATOM 377 OE1 GLU A 24 0.885 5.963 -11.461 1.00 0.00 O ATOM 378 OE2 GLU A 24 2.295 4.629 -12.480 1.00 0.00 O ATOM 0 H GLU A 24 2.417 4.738 -7.153 1.00 0.00 H new ATOM 0 HA GLU A 24 0.092 3.305 -7.880 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.036 5.197 -9.036 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.583 4.392 -9.211 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.623 2.826 -10.851 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.030 3.521 -10.623 1.00 0.00 H new ATOM 385 N ASN A 25 2.912 1.619 -8.201 1.00 0.00 N ATOM 386 CA ASN A 25 3.494 0.290 -8.334 1.00 0.00 C ATOM 387 C ASN A 25 3.145 -0.545 -7.107 1.00 0.00 C ATOM 388 O ASN A 25 2.604 -1.639 -7.246 1.00 0.00 O ATOM 389 CB ASN A 25 5.011 0.362 -8.541 1.00 0.00 C ATOM 390 CG ASN A 25 5.359 0.501 -10.013 1.00 0.00 C ATOM 391 OD1 ASN A 25 5.059 -0.389 -10.800 1.00 0.00 O ATOM 392 ND2 ASN A 25 5.968 1.595 -10.428 1.00 0.00 N ATOM 0 H ASN A 25 3.614 2.355 -8.123 1.00 0.00 H new ATOM 0 HA ASN A 25 3.074 -0.188 -9.219 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.416 1.209 -7.987 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.479 -0.536 -8.137 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.195 1.709 -11.416 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.211 2.327 -9.761 1.00 0.00 H new ATOM 399 N VAL A 26 3.407 -0.040 -5.900 1.00 0.00 N ATOM 400 CA VAL A 26 3.113 -0.747 -4.650 1.00 0.00 C ATOM 401 C VAL A 26 1.639 -1.173 -4.600 1.00 0.00 C ATOM 402 O VAL A 26 1.314 -2.306 -4.236 1.00 0.00 O ATOM 403 CB VAL A 26 3.451 0.170 -3.454 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.108 -0.490 -2.108 1.00 0.00 C ATOM 405 CG2 VAL A 26 4.931 0.562 -3.423 1.00 0.00 C ATOM 0 H VAL A 26 3.832 0.877 -5.760 1.00 0.00 H new ATOM 0 HA VAL A 26 3.724 -1.648 -4.598 1.00 0.00 H new ATOM 0 HB VAL A 26 2.841 1.062 -3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.362 0.190 -1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.042 -0.715 -2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.677 -1.413 -2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.119 1.207 -2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.544 -0.336 -3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.186 1.095 -4.339 1.00 0.00 H new ATOM 415 N LYS A 27 0.733 -0.276 -4.988 1.00 0.00 N ATOM 416 CA LYS A 27 -0.703 -0.506 -4.980 1.00 0.00 C ATOM 417 C LYS A 27 -1.152 -1.411 -6.139 1.00 0.00 C ATOM 418 O LYS A 27 -2.290 -1.875 -6.110 1.00 0.00 O ATOM 419 CB LYS A 27 -1.389 0.867 -4.956 1.00 0.00 C ATOM 420 CG LYS A 27 -2.780 0.839 -4.318 1.00 0.00 C ATOM 421 CD LYS A 27 -3.415 2.235 -4.264 1.00 0.00 C ATOM 422 CE LYS A 27 -3.614 2.744 -5.695 1.00 0.00 C ATOM 423 NZ LYS A 27 -4.599 3.832 -5.798 1.00 0.00 N ATOM 0 H LYS A 27 0.988 0.653 -5.324 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.000 -1.061 -4.090 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.760 1.570 -4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.473 1.241 -5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.426 0.169 -4.885 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.708 0.434 -3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.371 2.195 -3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.776 2.919 -3.706 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.657 3.092 -6.085 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.933 1.915 -6.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.685 4.129 -6.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.522 3.498 -5.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.287 4.639 -5.221 1.00 0.00 H new ATOM 437 N ALA A 28 -0.295 -1.662 -7.135 1.00 0.00 N ATOM 438 CA ALA A 28 -0.552 -2.532 -8.278 1.00 0.00 C ATOM 439 C ALA A 28 -0.099 -3.943 -7.894 1.00 0.00 C ATOM 440 O ALA A 28 -0.858 -4.902 -8.017 1.00 0.00 O ATOM 441 CB ALA A 28 0.206 -2.012 -9.501 1.00 0.00 C ATOM 0 H ALA A 28 0.635 -1.244 -7.164 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.611 -2.548 -8.535 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.012 -2.663 -10.353 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.129 -1.001 -9.734 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.275 -2.000 -9.289 1.00 0.00 H new ATOM 447 N LYS A 29 1.101 -4.066 -7.318 1.00 0.00 N ATOM 448 CA LYS A 29 1.699 -5.322 -6.865 1.00 0.00 C ATOM 449 C LYS A 29 0.716 -6.092 -5.974 1.00 0.00 C ATOM 450 O LYS A 29 0.613 -7.318 -6.085 1.00 0.00 O ATOM 451 CB LYS A 29 3.012 -5.014 -6.127 1.00 0.00 C ATOM 452 CG LYS A 29 4.206 -4.620 -7.021 1.00 0.00 C ATOM 453 CD LYS A 29 5.286 -3.920 -6.177 1.00 0.00 C ATOM 454 CE LYS A 29 6.567 -3.572 -6.944 1.00 0.00 C ATOM 455 NZ LYS A 29 7.528 -4.692 -6.989 1.00 0.00 N ATOM 0 H LYS A 29 1.704 -3.261 -7.149 1.00 0.00 H new ATOM 0 HA LYS A 29 1.922 -5.957 -7.722 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.829 -4.205 -5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.293 -5.890 -5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.623 -5.507 -7.497 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.871 -3.958 -7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.867 -3.004 -5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.545 -4.563 -5.336 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.308 -3.280 -7.962 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.042 -2.710 -6.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.207 -4.536 -7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.039 -4.748 -6.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.016 -5.582 -7.153 1.00 0.00 H new ATOM 469 N ILE A 30 -0.018 -5.410 -5.089 1.00 0.00 N ATOM 470 CA ILE A 30 -0.998 -6.057 -4.213 1.00 0.00 C ATOM 471 C ILE A 30 -2.166 -6.684 -5.003 1.00 0.00 C ATOM 472 O ILE A 30 -2.754 -7.654 -4.526 1.00 0.00 O ATOM 473 CB ILE A 30 -1.493 -5.107 -3.098 1.00 0.00 C ATOM 474 CG1 ILE A 30 -2.098 -3.811 -3.669 1.00 0.00 C ATOM 475 CG2 ILE A 30 -0.365 -4.802 -2.097 1.00 0.00 C ATOM 476 CD1 ILE A 30 -2.765 -2.915 -2.625 1.00 0.00 C ATOM 0 H ILE A 30 0.050 -4.400 -4.961 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.481 -6.880 -3.720 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.292 -5.622 -2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.311 -3.245 -4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.833 -4.072 -4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.737 -4.132 -1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.023 -5.731 -1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.466 -4.327 -2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.164 -2.025 -3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.577 -3.460 -2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.030 -2.620 -1.876 1.00 0.00 H new ATOM 488 N GLN A 31 -2.506 -6.210 -6.205 1.00 0.00 N ATOM 489 CA GLN A 31 -3.605 -6.767 -7.006 1.00 0.00 C ATOM 490 C GLN A 31 -3.150 -8.081 -7.642 1.00 0.00 C ATOM 491 O GLN A 31 -3.948 -8.939 -8.008 1.00 0.00 O ATOM 492 CB GLN A 31 -4.048 -5.785 -8.098 1.00 0.00 C ATOM 493 CG GLN A 31 -4.178 -4.355 -7.563 1.00 0.00 C ATOM 494 CD GLN A 31 -4.970 -3.438 -8.481 1.00 0.00 C ATOM 495 OE1 GLN A 31 -5.006 -3.578 -9.701 1.00 0.00 O ATOM 496 NE2 GLN A 31 -5.612 -2.440 -7.914 1.00 0.00 N ATOM 0 H GLN A 31 -2.028 -5.428 -6.653 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.457 -6.947 -6.350 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.327 -5.802 -8.916 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.005 -6.107 -8.509 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.660 -4.383 -6.586 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.182 -3.938 -7.416 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.582 -2.324 -6.901 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.140 -1.782 -8.487 1.00 0.00 H new ATOM 505 N ASP A 32 -1.841 -8.257 -7.787 1.00 0.00 N ATOM 506 CA ASP A 32 -1.219 -9.462 -8.323 1.00 0.00 C ATOM 507 C ASP A 32 -1.113 -10.511 -7.187 1.00 0.00 C ATOM 508 O ASP A 32 -1.050 -11.719 -7.435 1.00 0.00 O ATOM 509 CB ASP A 32 0.108 -9.079 -8.981 1.00 0.00 C ATOM 510 CG ASP A 32 1.028 -10.266 -9.220 1.00 0.00 C ATOM 511 OD1 ASP A 32 0.605 -11.258 -9.854 1.00 0.00 O ATOM 512 OD2 ASP A 32 2.187 -10.175 -8.751 1.00 0.00 O ATOM 0 H ASP A 32 -1.162 -7.542 -7.526 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.814 -9.930 -9.107 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.095 -8.589 -9.933 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.621 -8.352 -8.351 1.00 0.00 H new ATOM 517 N LYS A 33 -1.119 -10.077 -5.920 1.00 0.00 N ATOM 518 CA LYS A 33 -1.037 -10.937 -4.735 1.00 0.00 C ATOM 519 C LYS A 33 -2.393 -11.253 -4.087 1.00 0.00 C ATOM 520 O LYS A 33 -2.432 -12.145 -3.243 1.00 0.00 O ATOM 521 CB LYS A 33 -0.074 -10.319 -3.707 1.00 0.00 C ATOM 522 CG LYS A 33 1.416 -10.495 -4.043 1.00 0.00 C ATOM 523 CD LYS A 33 1.852 -11.967 -3.999 1.00 0.00 C ATOM 524 CE LYS A 33 3.378 -12.109 -3.947 1.00 0.00 C ATOM 525 NZ LYS A 33 3.759 -13.531 -3.831 1.00 0.00 N ATOM 0 H LYS A 33 -1.183 -9.086 -5.685 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.653 -11.897 -5.081 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.290 -9.254 -3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.269 -10.765 -2.732 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.613 -10.089 -5.035 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.016 -9.919 -3.338 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.412 -12.450 -3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.469 -12.486 -4.878 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.820 -11.680 -4.846 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.773 -11.550 -3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.795 -13.611 -3.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.352 -13.930 -2.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.398 -14.055 -4.654 1.00 0.00 H new ATOM 539 N GLU A 34 -3.479 -10.536 -4.377 1.00 0.00 N ATOM 540 CA GLU A 34 -4.811 -10.780 -3.807 1.00 0.00 C ATOM 541 C GLU A 34 -5.840 -10.290 -4.839 1.00 0.00 C ATOM 542 O GLU A 34 -5.504 -9.463 -5.691 1.00 0.00 O ATOM 543 CB GLU A 34 -4.934 -10.018 -2.470 1.00 0.00 C ATOM 544 CG GLU A 34 -6.117 -10.398 -1.558 1.00 0.00 C ATOM 545 CD GLU A 34 -5.767 -11.512 -0.563 1.00 0.00 C ATOM 546 OE1 GLU A 34 -4.977 -11.263 0.368 1.00 0.00 O ATOM 547 OE2 GLU A 34 -6.238 -12.664 -0.686 1.00 0.00 O ATOM 0 H GLU A 34 -3.460 -9.751 -5.029 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.981 -11.836 -3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.011 -10.166 -1.909 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.005 -8.953 -2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.444 -9.515 -1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.957 -10.719 -2.175 1.00 0.00 H new ATOM 554 N GLY A 35 -7.095 -10.734 -4.760 1.00 0.00 N ATOM 555 CA GLY A 35 -8.160 -10.345 -5.671 1.00 0.00 C ATOM 556 C GLY A 35 -8.734 -8.994 -5.269 1.00 0.00 C ATOM 557 O GLY A 35 -9.864 -8.930 -4.780 1.00 0.00 O ATOM 0 H GLY A 35 -7.401 -11.390 -4.041 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.776 -10.296 -6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.947 -11.099 -5.663 1.00 0.00 H new ATOM 561 N ILE A 36 -7.979 -7.910 -5.462 1.00 0.00 N ATOM 562 CA ILE A 36 -8.397 -6.554 -5.114 1.00 0.00 C ATOM 563 C ILE A 36 -8.161 -5.589 -6.295 1.00 0.00 C ATOM 564 O ILE A 36 -7.010 -5.278 -6.590 1.00 0.00 O ATOM 565 CB ILE A 36 -7.742 -6.105 -3.780 1.00 0.00 C ATOM 566 CG1 ILE A 36 -6.195 -6.211 -3.746 1.00 0.00 C ATOM 567 CG2 ILE A 36 -8.371 -6.911 -2.624 1.00 0.00 C ATOM 568 CD1 ILE A 36 -5.561 -5.840 -2.402 1.00 0.00 C ATOM 0 H ILE A 36 -7.046 -7.953 -5.871 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.472 -6.537 -4.934 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.945 -5.039 -3.673 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.908 -7.232 -3.999 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.782 -5.563 -4.519 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.920 -6.606 -1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.444 -6.723 -2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.194 -7.975 -2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.478 -5.943 -2.470 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.813 -4.809 -2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.940 -6.504 -1.625 1.00 0.00 H new ATOM 580 N PRO A 37 -9.217 -5.115 -6.983 1.00 0.00 N ATOM 581 CA PRO A 37 -9.106 -4.185 -8.104 1.00 0.00 C ATOM 582 C PRO A 37 -8.856 -2.757 -7.584 1.00 0.00 C ATOM 583 O PRO A 37 -8.994 -2.509 -6.380 1.00 0.00 O ATOM 584 CB PRO A 37 -10.461 -4.296 -8.818 1.00 0.00 C ATOM 585 CG PRO A 37 -11.436 -4.548 -7.675 1.00 0.00 C ATOM 586 CD PRO A 37 -10.617 -5.425 -6.735 1.00 0.00 C ATOM 0 HA PRO A 37 -8.275 -4.413 -8.772 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.705 -3.384 -9.362 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.469 -5.111 -9.542 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.749 -3.620 -7.196 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.341 -5.052 -8.016 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.878 -5.227 -5.696 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.817 -6.481 -6.918 1.00 0.00 H new ATOM 594 N PRO A 38 -8.516 -1.776 -8.449 1.00 0.00 N ATOM 595 CA PRO A 38 -8.287 -0.395 -8.031 1.00 0.00 C ATOM 596 C PRO A 38 -9.643 0.307 -7.839 1.00 0.00 C ATOM 597 O PRO A 38 -9.932 1.344 -8.442 1.00 0.00 O ATOM 598 CB PRO A 38 -7.441 0.214 -9.158 1.00 0.00 C ATOM 599 CG PRO A 38 -7.956 -0.513 -10.401 1.00 0.00 C ATOM 600 CD PRO A 38 -8.299 -1.914 -9.885 1.00 0.00 C ATOM 0 HA PRO A 38 -7.769 -0.297 -7.077 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.583 1.292 -9.232 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.376 0.043 -9.002 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.830 -0.016 -10.822 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.200 -0.549 -11.186 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.190 -2.303 -10.378 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.489 -2.614 -10.091 1.00 0.00 H new ATOM 608 N ASP A 39 -10.490 -0.250 -6.979 1.00 0.00 N ATOM 609 CA ASP A 39 -11.818 0.219 -6.626 1.00 0.00 C ATOM 610 C ASP A 39 -12.053 -0.237 -5.191 1.00 0.00 C ATOM 611 O ASP A 39 -11.753 -1.385 -4.860 1.00 0.00 O ATOM 612 CB ASP A 39 -12.875 -0.364 -7.566 1.00 0.00 C ATOM 613 CG ASP A 39 -14.255 0.227 -7.279 1.00 0.00 C ATOM 614 OD1 ASP A 39 -14.365 1.279 -6.611 1.00 0.00 O ATOM 615 OD2 ASP A 39 -15.257 -0.399 -7.681 1.00 0.00 O ATOM 0 H ASP A 39 -10.244 -1.103 -6.476 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.893 1.303 -6.717 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.597 -0.161 -8.600 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -12.909 -1.447 -7.452 1.00 0.00 H new ATOM 620 N GLN A 40 -12.586 0.650 -4.346 1.00 0.00 N ATOM 621 CA GLN A 40 -12.845 0.428 -2.923 1.00 0.00 C ATOM 622 C GLN A 40 -11.522 -0.039 -2.299 1.00 0.00 C ATOM 623 O GLN A 40 -11.480 -0.979 -1.506 1.00 0.00 O ATOM 624 CB GLN A 40 -13.976 -0.607 -2.707 1.00 0.00 C ATOM 625 CG GLN A 40 -15.258 -0.411 -3.528 1.00 0.00 C ATOM 626 CD GLN A 40 -15.886 0.965 -3.352 1.00 0.00 C ATOM 627 OE1 GLN A 40 -16.462 1.300 -2.321 1.00 0.00 O ATOM 628 NE2 GLN A 40 -15.843 1.813 -4.365 1.00 0.00 N ATOM 0 H GLN A 40 -12.861 1.584 -4.650 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.189 1.346 -2.446 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.578 -1.597 -2.930 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -14.245 -0.602 -1.651 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -15.032 -0.567 -4.583 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -15.984 -1.172 -3.242 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.369 1.551 -5.229 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.284 2.729 -4.282 1.00 0.00 H new ATOM 637 N ASN A 41 -10.434 0.684 -2.584 1.00 0.00 N ATOM 638 CA ASN A 41 -9.098 0.356 -2.107 1.00 0.00 C ATOM 639 C ASN A 41 -8.296 1.627 -1.846 1.00 0.00 C ATOM 640 O ASN A 41 -8.478 2.599 -2.580 1.00 0.00 O ATOM 641 CB ASN A 41 -8.467 -0.515 -3.208 1.00 0.00 C ATOM 642 CG ASN A 41 -7.010 -0.889 -2.986 1.00 0.00 C ATOM 643 OD1 ASN A 41 -6.139 -0.025 -2.914 1.00 0.00 O ATOM 644 ND2 ASN A 41 -6.699 -2.172 -2.987 1.00 0.00 N ATOM 0 H ASN A 41 -10.463 1.524 -3.161 1.00 0.00 H new ATOM 0 HA ASN A 41 -9.118 -0.180 -1.158 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.050 -1.431 -3.302 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.549 0.014 -4.158 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.722 -2.460 -2.927 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.435 -2.875 -3.047 1.00 0.00 H new ATOM 651 N ARG A 42 -7.454 1.681 -0.813 1.00 0.00 N ATOM 652 CA ARG A 42 -6.631 2.848 -0.468 1.00 0.00 C ATOM 653 C ARG A 42 -5.515 2.388 0.462 1.00 0.00 C ATOM 654 O ARG A 42 -5.796 1.675 1.424 1.00 0.00 O ATOM 655 CB ARG A 42 -7.510 3.919 0.204 1.00 0.00 C ATOM 656 CG ARG A 42 -6.716 5.073 0.807 1.00 0.00 C ATOM 657 CD ARG A 42 -7.632 6.114 1.460 1.00 0.00 C ATOM 658 NE ARG A 42 -8.266 6.994 0.467 1.00 0.00 N ATOM 659 CZ ARG A 42 -7.737 8.128 -0.013 1.00 0.00 C ATOM 660 NH1 ARG A 42 -6.496 8.486 0.300 1.00 0.00 N ATOM 661 NH2 ARG A 42 -8.454 8.887 -0.819 1.00 0.00 N ATOM 0 H ARG A 42 -7.320 0.896 -0.175 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.192 3.290 -1.363 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.210 4.316 -0.531 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.104 3.449 0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.019 4.685 1.550 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.120 5.550 0.029 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.404 5.605 2.038 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.054 6.716 2.161 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.183 6.719 0.115 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.934 7.895 0.912 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.106 9.352 -0.072 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.402 8.609 -1.072 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.060 9.752 -1.189 1.00 0.00 H new ATOM 675 N LEU A 43 -4.277 2.816 0.210 1.00 0.00 N ATOM 676 CA LEU A 43 -3.095 2.453 0.995 1.00 0.00 C ATOM 677 C LEU A 43 -2.818 3.491 2.096 1.00 0.00 C ATOM 678 O LEU A 43 -2.923 4.694 1.843 1.00 0.00 O ATOM 679 CB LEU A 43 -1.922 2.346 0.005 1.00 0.00 C ATOM 680 CG LEU A 43 -0.660 1.672 0.567 1.00 0.00 C ATOM 681 CD1 LEU A 43 -0.852 0.168 0.798 1.00 0.00 C ATOM 682 CD2 LEU A 43 0.486 1.879 -0.431 1.00 0.00 C ATOM 0 H LEU A 43 -4.063 3.442 -0.567 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.246 1.504 1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.254 1.789 -0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.660 3.348 -0.335 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.438 2.126 1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.069 -0.260 1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.662 0.010 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.099 -0.317 -0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.391 1.407 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.220 1.431 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.663 2.946 -0.566 1.00 0.00 H new ATOM 694 N ILE A 44 -2.423 3.059 3.299 1.00 0.00 N ATOM 695 CA ILE A 44 -2.121 3.900 4.470 1.00 0.00 C ATOM 696 C ILE A 44 -0.821 3.396 5.121 1.00 0.00 C ATOM 697 O ILE A 44 -0.585 2.185 5.150 1.00 0.00 O ATOM 698 CB ILE A 44 -3.285 3.792 5.498 1.00 0.00 C ATOM 699 CG1 ILE A 44 -4.716 3.907 4.920 1.00 0.00 C ATOM 700 CG2 ILE A 44 -3.113 4.777 6.670 1.00 0.00 C ATOM 701 CD1 ILE A 44 -5.133 5.306 4.463 1.00 0.00 C ATOM 0 H ILE A 44 -2.298 2.066 3.495 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.005 4.939 4.160 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.199 2.766 5.856 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.802 3.227 4.073 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.423 3.565 5.676 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.947 4.667 7.363 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.179 4.564 7.190 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.091 5.797 6.287 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.151 5.274 4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.088 5.993 5.308 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.458 5.649 3.679 1.00 0.00 H new ATOM 713 N PHE A 45 0.007 4.287 5.677 1.00 0.00 N ATOM 714 CA PHE A 45 1.262 3.955 6.360 1.00 0.00 C ATOM 715 C PHE A 45 1.379 4.832 7.606 1.00 0.00 C ATOM 716 O PHE A 45 1.431 6.056 7.480 1.00 0.00 O ATOM 717 CB PHE A 45 2.472 4.154 5.442 1.00 0.00 C ATOM 718 CG PHE A 45 3.811 4.084 6.162 1.00 0.00 C ATOM 719 CD1 PHE A 45 4.183 2.935 6.889 1.00 0.00 C ATOM 720 CD2 PHE A 45 4.672 5.198 6.143 1.00 0.00 C ATOM 721 CE1 PHE A 45 5.396 2.915 7.601 1.00 0.00 C ATOM 722 CE2 PHE A 45 5.888 5.175 6.849 1.00 0.00 C ATOM 723 CZ PHE A 45 6.250 4.032 7.582 1.00 0.00 C ATOM 0 H PHE A 45 -0.183 5.289 5.664 1.00 0.00 H new ATOM 0 HA PHE A 45 1.250 2.902 6.642 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.451 3.395 4.660 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.386 5.122 4.949 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.537 2.070 6.899 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.396 6.078 5.581 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.673 2.037 8.165 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.542 6.034 6.828 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.181 4.012 8.129 1.00 0.00 H new ATOM 733 N ALA A 46 1.453 4.223 8.798 1.00 0.00 N ATOM 734 CA ALA A 46 1.558 4.930 10.083 1.00 0.00 C ATOM 735 C ALA A 46 0.441 5.982 10.232 1.00 0.00 C ATOM 736 O ALA A 46 0.659 7.079 10.747 1.00 0.00 O ATOM 737 CB ALA A 46 2.975 5.481 10.298 1.00 0.00 C ATOM 0 H ALA A 46 1.441 3.208 8.898 1.00 0.00 H new ATOM 0 HA ALA A 46 1.397 4.218 10.893 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.023 5.999 11.256 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.690 4.658 10.294 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.220 6.178 9.496 1.00 0.00 H new ATOM 743 N GLY A 47 -0.746 5.670 9.704 1.00 0.00 N ATOM 744 CA GLY A 47 -1.921 6.529 9.731 1.00 0.00 C ATOM 745 C GLY A 47 -1.913 7.599 8.635 1.00 0.00 C ATOM 746 O GLY A 47 -2.940 8.241 8.417 1.00 0.00 O ATOM 0 H GLY A 47 -0.915 4.782 9.232 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.815 5.914 9.623 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.985 7.016 10.704 1.00 0.00 H new ATOM 750 N LYS A 48 -0.782 7.846 7.964 1.00 0.00 N ATOM 751 CA LYS A 48 -0.680 8.836 6.900 1.00 0.00 C ATOM 752 C LYS A 48 -1.229 8.209 5.630 1.00 0.00 C ATOM 753 O LYS A 48 -0.897 7.066 5.297 1.00 0.00 O ATOM 754 CB LYS A 48 0.755 9.354 6.726 1.00 0.00 C ATOM 755 CG LYS A 48 0.838 10.366 5.567 1.00 0.00 C ATOM 756 CD LYS A 48 1.928 11.427 5.737 1.00 0.00 C ATOM 757 CE LYS A 48 1.499 12.506 6.744 1.00 0.00 C ATOM 758 NZ LYS A 48 2.369 13.698 6.690 1.00 0.00 N ATOM 0 H LYS A 48 0.093 7.356 8.151 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.268 9.718 7.156 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.090 9.825 7.650 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.427 8.518 6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.016 9.824 4.638 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.126 10.865 5.465 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.850 10.954 6.077 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.143 11.889 4.774 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.469 12.801 6.541 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.519 12.089 7.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.042 14.398 7.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.348 13.424 6.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.331 14.113 5.737 1.00 0.00 H new ATOM 772 N GLN A 49 -2.129 8.926 4.977 1.00 0.00 N ATOM 773 CA GLN A 49 -2.752 8.488 3.747 1.00 0.00 C ATOM 774 C GLN A 49 -1.727 8.628 2.622 1.00 0.00 C ATOM 775 O GLN A 49 -1.042 9.647 2.515 1.00 0.00 O ATOM 776 CB GLN A 49 -4.002 9.342 3.489 1.00 0.00 C ATOM 777 CG GLN A 49 -5.078 9.137 4.575 1.00 0.00 C ATOM 778 CD GLN A 49 -5.113 10.221 5.657 1.00 0.00 C ATOM 779 OE1 GLN A 49 -4.810 11.392 5.428 1.00 0.00 O ATOM 780 NE2 GLN A 49 -5.476 9.856 6.873 1.00 0.00 N ATOM 0 H GLN A 49 -2.449 9.841 5.294 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.067 7.446 3.806 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.720 10.394 3.452 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.419 9.089 2.514 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.055 9.091 4.094 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.913 8.171 5.053 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.727 8.885 7.061 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.506 10.545 7.625 1.00 0.00 H new ATOM 789 N LEU A 50 -1.613 7.595 1.789 1.00 0.00 N ATOM 790 CA LEU A 50 -0.697 7.542 0.660 1.00 0.00 C ATOM 791 C LEU A 50 -1.512 7.510 -0.624 1.00 0.00 C ATOM 792 O LEU A 50 -2.611 6.947 -0.660 1.00 0.00 O ATOM 793 CB LEU A 50 0.167 6.272 0.715 1.00 0.00 C ATOM 794 CG LEU A 50 0.927 6.006 2.027 1.00 0.00 C ATOM 795 CD1 LEU A 50 1.765 4.741 1.834 1.00 0.00 C ATOM 796 CD2 LEU A 50 1.846 7.158 2.428 1.00 0.00 C ATOM 0 H LEU A 50 -2.174 6.749 1.887 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.047 8.416 0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.476 5.415 0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.895 6.321 -0.095 1.00 0.00 H new ATOM 0 HG LEU A 50 0.195 5.894 2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.316 4.527 2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.109 3.902 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.467 4.891 1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.354 6.911 3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.586 7.323 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.255 8.064 2.566 1.00 0.00 H new ATOM 808 N GLU A 51 -0.967 8.075 -1.691 1.00 0.00 N ATOM 809 CA GLU A 51 -1.579 8.128 -3.005 1.00 0.00 C ATOM 810 C GLU A 51 -0.464 8.176 -4.050 1.00 0.00 C ATOM 811 O GLU A 51 0.721 8.215 -3.706 1.00 0.00 O ATOM 812 CB GLU A 51 -2.620 9.262 -3.102 1.00 0.00 C ATOM 813 CG GLU A 51 -2.065 10.688 -2.992 1.00 0.00 C ATOM 814 CD GLU A 51 -3.118 11.737 -2.600 1.00 0.00 C ATOM 815 OE1 GLU A 51 -2.760 12.680 -1.854 1.00 0.00 O ATOM 816 OE2 GLU A 51 -4.303 11.638 -3.009 1.00 0.00 O ATOM 0 H GLU A 51 -0.052 8.525 -1.661 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.165 7.230 -3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.144 9.168 -4.053 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.360 9.119 -2.315 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.263 10.699 -2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.623 10.970 -3.948 1.00 0.00 H new ATOM 823 N ASP A 52 -0.847 8.160 -5.321 1.00 0.00 N ATOM 824 CA ASP A 52 0.035 8.152 -6.473 1.00 0.00 C ATOM 825 C ASP A 52 0.714 9.503 -6.675 1.00 0.00 C ATOM 826 O ASP A 52 0.317 10.525 -6.104 1.00 0.00 O ATOM 827 CB ASP A 52 -0.747 7.706 -7.723 1.00 0.00 C ATOM 828 CG ASP A 52 -1.502 8.847 -8.407 1.00 0.00 C ATOM 829 OD1 ASP A 52 -2.690 9.082 -8.080 1.00 0.00 O ATOM 830 OD2 ASP A 52 -0.910 9.533 -9.268 1.00 0.00 O ATOM 0 H ASP A 52 -1.832 8.152 -5.585 1.00 0.00 H new ATOM 0 HA ASP A 52 0.835 7.434 -6.294 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.054 7.260 -8.436 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.457 6.929 -7.440 1.00 0.00 H new ATOM 835 N GLY A 53 1.808 9.462 -7.429 1.00 0.00 N ATOM 836 CA GLY A 53 2.644 10.600 -7.765 1.00 0.00 C ATOM 837 C GLY A 53 3.927 10.606 -6.940 1.00 0.00 C ATOM 838 O GLY A 53 4.901 11.225 -7.369 1.00 0.00 O ATOM 0 H GLY A 53 2.148 8.592 -7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.891 10.572 -8.826 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.092 11.524 -7.591 1.00 0.00 H new ATOM 842 N ARG A 54 3.922 9.993 -5.749 1.00 0.00 N ATOM 843 CA ARG A 54 5.086 9.895 -4.857 1.00 0.00 C ATOM 844 C ARG A 54 5.672 8.484 -4.796 1.00 0.00 C ATOM 845 O ARG A 54 5.020 7.522 -5.216 1.00 0.00 O ATOM 846 CB ARG A 54 4.725 10.413 -3.461 1.00 0.00 C ATOM 847 CG ARG A 54 4.740 11.937 -3.328 1.00 0.00 C ATOM 848 CD ARG A 54 4.607 12.294 -1.842 1.00 0.00 C ATOM 849 NE ARG A 54 3.934 13.570 -1.631 1.00 0.00 N ATOM 850 CZ ARG A 54 3.779 14.179 -0.456 1.00 0.00 C ATOM 851 NH1 ARG A 54 4.122 13.574 0.681 1.00 0.00 N ATOM 852 NH2 ARG A 54 3.307 15.411 -0.436 1.00 0.00 N ATOM 0 H ARG A 54 3.090 9.541 -5.370 1.00 0.00 H new ATOM 0 HA ARG A 54 5.870 10.526 -5.276 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.733 10.047 -3.197 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.423 9.991 -2.738 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.666 12.344 -3.735 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.921 12.376 -3.898 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.053 11.506 -1.331 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.598 12.331 -1.391 1.00 0.00 H new ATOM 0 HE ARG A 54 3.549 14.036 -2.453 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.510 12.631 0.660 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.997 14.054 1.572 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.068 15.880 -1.310 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.181 15.894 0.453 1.00 0.00 H new ATOM 866 N THR A 55 6.859 8.375 -4.193 1.00 0.00 N ATOM 867 CA THR A 55 7.604 7.138 -3.990 1.00 0.00 C ATOM 868 C THR A 55 7.763 6.887 -2.485 1.00 0.00 C ATOM 869 O THR A 55 7.465 7.767 -1.673 1.00 0.00 O ATOM 870 CB THR A 55 8.974 7.195 -4.695 1.00 0.00 C ATOM 871 OG1 THR A 55 9.858 8.153 -4.122 1.00 0.00 O ATOM 872 CG2 THR A 55 8.889 7.446 -6.203 1.00 0.00 C ATOM 0 H THR A 55 7.346 9.188 -3.817 1.00 0.00 H new ATOM 0 HA THR A 55 7.051 6.309 -4.432 1.00 0.00 H new ATOM 0 HB THR A 55 9.378 6.195 -4.538 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.371 8.987 -3.952 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.894 7.472 -6.625 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.319 6.645 -6.674 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.394 8.400 -6.386 1.00 0.00 H new ATOM 880 N LEU A 56 8.231 5.692 -2.098 1.00 0.00 N ATOM 881 CA LEU A 56 8.457 5.335 -0.696 1.00 0.00 C ATOM 882 C LEU A 56 9.329 6.381 0.009 1.00 0.00 C ATOM 883 O LEU A 56 9.043 6.755 1.141 1.00 0.00 O ATOM 884 CB LEU A 56 9.134 3.959 -0.543 1.00 0.00 C ATOM 885 CG LEU A 56 8.147 2.783 -0.476 1.00 0.00 C ATOM 886 CD1 LEU A 56 7.646 2.396 -1.863 1.00 0.00 C ATOM 887 CD2 LEU A 56 8.812 1.571 0.171 1.00 0.00 C ATOM 0 H LEU A 56 8.463 4.945 -2.753 1.00 0.00 H new ATOM 0 HA LEU A 56 7.470 5.297 -0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.813 3.804 -1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.742 3.963 0.362 1.00 0.00 H new ATOM 0 HG LEU A 56 7.296 3.104 0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.950 1.561 -1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.139 3.247 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.491 2.103 -2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.102 0.745 0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.680 1.274 -0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.130 1.827 1.182 1.00 0.00 H new ATOM 899 N SER A 57 10.384 6.835 -0.662 1.00 0.00 N ATOM 900 CA SER A 57 11.344 7.811 -0.180 1.00 0.00 C ATOM 901 C SER A 57 10.659 9.119 0.190 1.00 0.00 C ATOM 902 O SER A 57 10.943 9.667 1.255 1.00 0.00 O ATOM 903 CB SER A 57 12.385 8.021 -1.278 1.00 0.00 C ATOM 904 OG SER A 57 13.353 8.999 -0.941 1.00 0.00 O ATOM 0 H SER A 57 10.599 6.512 -1.605 1.00 0.00 H new ATOM 0 HA SER A 57 11.827 7.447 0.727 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.887 7.075 -1.481 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.881 8.318 -2.198 1.00 0.00 H new ATOM 0 HG SER A 57 13.994 9.092 -1.676 1.00 0.00 H new ATOM 910 N ASP A 58 9.763 9.630 -0.653 1.00 0.00 N ATOM 911 CA ASP A 58 9.078 10.895 -0.399 1.00 0.00 C ATOM 912 C ASP A 58 8.293 10.809 0.902 1.00 0.00 C ATOM 913 O ASP A 58 8.385 11.709 1.738 1.00 0.00 O ATOM 914 CB ASP A 58 8.134 11.270 -1.536 1.00 0.00 C ATOM 915 CG ASP A 58 8.865 11.442 -2.853 1.00 0.00 C ATOM 916 OD1 ASP A 58 8.798 10.515 -3.690 1.00 0.00 O ATOM 917 OD2 ASP A 58 9.519 12.500 -3.019 1.00 0.00 O ATOM 0 H ASP A 58 9.493 9.180 -1.528 1.00 0.00 H new ATOM 0 HA ASP A 58 9.841 11.670 -0.325 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.372 10.498 -1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.616 12.196 -1.286 1.00 0.00 H new ATOM 922 N TYR A 59 7.566 9.713 1.111 1.00 0.00 N ATOM 923 CA TYR A 59 6.768 9.495 2.308 1.00 0.00 C ATOM 924 C TYR A 59 7.617 8.966 3.483 1.00 0.00 C ATOM 925 O TYR A 59 7.068 8.719 4.561 1.00 0.00 O ATOM 926 CB TYR A 59 5.635 8.518 1.981 1.00 0.00 C ATOM 927 CG TYR A 59 4.543 9.043 1.073 1.00 0.00 C ATOM 928 CD1 TYR A 59 3.606 9.981 1.553 1.00 0.00 C ATOM 929 CD2 TYR A 59 4.383 8.490 -0.210 1.00 0.00 C ATOM 930 CE1 TYR A 59 2.491 10.334 0.770 1.00 0.00 C ATOM 931 CE2 TYR A 59 3.269 8.835 -0.989 1.00 0.00 C ATOM 932 CZ TYR A 59 2.313 9.747 -0.503 1.00 0.00 C ATOM 933 OH TYR A 59 1.224 10.057 -1.255 1.00 0.00 O ATOM 0 H TYR A 59 7.516 8.944 0.443 1.00 0.00 H new ATOM 0 HA TYR A 59 6.355 10.453 2.625 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.069 7.632 1.518 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.178 8.197 2.917 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.744 10.430 2.525 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.118 7.799 -0.596 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.774 11.051 1.141 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.144 8.398 -1.969 1.00 0.00 H new ATOM 0 HH TYR A 59 1.335 9.692 -2.158 1.00 0.00 H new ATOM 943 N ASN A 60 8.935 8.807 3.297 1.00 0.00 N ATOM 944 CA ASN A 60 9.920 8.315 4.262 1.00 0.00 C ATOM 945 C ASN A 60 9.516 6.933 4.808 1.00 0.00 C ATOM 946 O ASN A 60 9.615 6.636 5.999 1.00 0.00 O ATOM 947 CB ASN A 60 10.152 9.411 5.322 1.00 0.00 C ATOM 948 CG ASN A 60 11.067 9.003 6.469 1.00 0.00 C ATOM 949 OD1 ASN A 60 12.144 8.440 6.278 1.00 0.00 O ATOM 950 ND2 ASN A 60 10.671 9.314 7.690 1.00 0.00 N ATOM 0 H ASN A 60 9.369 9.036 2.403 1.00 0.00 H new ATOM 0 HA ASN A 60 10.886 8.131 3.791 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.575 10.288 4.832 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.188 9.710 5.733 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.261 9.087 8.491 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.775 9.781 7.832 1.00 0.00 H new ATOM 957 N ILE A 61 9.122 6.034 3.903 1.00 0.00 N ATOM 958 CA ILE A 61 8.706 4.671 4.217 1.00 0.00 C ATOM 959 C ILE A 61 9.982 3.835 4.257 1.00 0.00 C ATOM 960 O ILE A 61 10.742 3.808 3.284 1.00 0.00 O ATOM 961 CB ILE A 61 7.692 4.148 3.168 1.00 0.00 C ATOM 962 CG1 ILE A 61 6.510 5.132 3.046 1.00 0.00 C ATOM 963 CG2 ILE A 61 7.202 2.736 3.537 1.00 0.00 C ATOM 964 CD1 ILE A 61 5.392 4.744 2.076 1.00 0.00 C ATOM 0 H ILE A 61 9.084 6.243 2.905 1.00 0.00 H new ATOM 0 HA ILE A 61 8.189 4.617 5.175 1.00 0.00 H new ATOM 0 HB ILE A 61 8.189 4.081 2.200 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.072 5.263 4.036 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.904 6.102 2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.491 2.390 2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.052 2.054 3.574 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.716 2.763 4.512 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.622 5.515 2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.801 4.646 1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.956 3.794 2.385 1.00 0.00 H new ATOM 976 N GLN A 62 10.239 3.169 5.383 1.00 0.00 N ATOM 977 CA GLN A 62 11.424 2.337 5.561 1.00 0.00 C ATOM 978 C GLN A 62 11.140 0.879 5.213 1.00 0.00 C ATOM 979 O GLN A 62 9.997 0.493 4.957 1.00 0.00 O ATOM 980 CB GLN A 62 11.983 2.502 6.988 1.00 0.00 C ATOM 981 CG GLN A 62 12.397 3.951 7.299 1.00 0.00 C ATOM 982 CD GLN A 62 13.232 4.559 6.172 1.00 0.00 C ATOM 983 OE1 GLN A 62 14.245 3.999 5.746 1.00 0.00 O ATOM 984 NE2 GLN A 62 12.786 5.666 5.606 1.00 0.00 N ATOM 0 H GLN A 62 9.627 3.193 6.199 1.00 0.00 H new ATOM 0 HA GLN A 62 12.193 2.673 4.865 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.230 2.181 7.708 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.845 1.847 7.114 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.505 4.557 7.458 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.968 3.974 8.227 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.947 6.121 5.966 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.280 6.066 4.808 1.00 0.00 H new ATOM 993 N LYS A 63 12.210 0.085 5.145 1.00 0.00 N ATOM 994 CA LYS A 63 12.140 -1.334 4.835 1.00 0.00 C ATOM 995 C LYS A 63 11.422 -2.083 5.952 1.00 0.00 C ATOM 996 O LYS A 63 11.358 -1.604 7.088 1.00 0.00 O ATOM 997 CB LYS A 63 13.542 -1.896 4.552 1.00 0.00 C ATOM 998 CG LYS A 63 14.451 -2.003 5.784 1.00 0.00 C ATOM 999 CD LYS A 63 15.827 -2.521 5.358 1.00 0.00 C ATOM 1000 CE LYS A 63 16.689 -2.821 6.585 1.00 0.00 C ATOM 1001 NZ LYS A 63 18.109 -3.004 6.233 1.00 0.00 N ATOM 0 H LYS A 63 13.160 0.419 5.307 1.00 0.00 H new ATOM 0 HA LYS A 63 11.556 -1.476 3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.439 -2.885 4.107 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.030 -1.262 3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.549 -1.029 6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.009 -2.676 6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.713 -3.423 4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.323 -1.781 4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.596 -2.005 7.302 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.319 -3.721 7.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.657 -3.205 7.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.202 -3.799 5.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.471 -2.137 5.787 1.00 0.00 H new ATOM 1015 N GLU A 64 10.877 -3.242 5.612 1.00 0.00 N ATOM 1016 CA GLU A 64 10.147 -4.140 6.487 1.00 0.00 C ATOM 1017 C GLU A 64 9.033 -3.412 7.261 1.00 0.00 C ATOM 1018 O GLU A 64 8.832 -3.636 8.456 1.00 0.00 O ATOM 1019 CB GLU A 64 11.135 -4.963 7.334 1.00 0.00 C ATOM 1020 CG GLU A 64 11.882 -6.033 6.511 1.00 0.00 C ATOM 1021 CD GLU A 64 13.005 -5.486 5.617 1.00 0.00 C ATOM 1022 OE1 GLU A 64 12.809 -5.339 4.388 1.00 0.00 O ATOM 1023 OE2 GLU A 64 14.123 -5.275 6.143 1.00 0.00 O ATOM 0 H GLU A 64 10.938 -3.600 4.659 1.00 0.00 H new ATOM 0 HA GLU A 64 9.594 -4.871 5.897 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.861 -4.291 7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.594 -5.448 8.146 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.306 -6.768 7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.161 -6.559 5.885 1.00 0.00 H new ATOM 1030 N SER A 65 8.363 -2.458 6.610 1.00 0.00 N ATOM 1031 CA SER A 65 7.254 -1.692 7.168 1.00 0.00 C ATOM 1032 C SER A 65 5.949 -2.468 6.923 1.00 0.00 C ATOM 1033 O SER A 65 5.931 -3.390 6.104 1.00 0.00 O ATOM 1034 CB SER A 65 7.228 -0.286 6.552 1.00 0.00 C ATOM 1035 OG SER A 65 7.468 -0.309 5.159 1.00 0.00 O ATOM 0 H SER A 65 8.587 -2.192 5.651 1.00 0.00 H new ATOM 0 HA SER A 65 7.374 -1.562 8.244 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.259 0.175 6.745 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.980 0.336 7.038 1.00 0.00 H new ATOM 0 HG SER A 65 8.302 0.166 4.963 1.00 0.00 H new ATOM 1041 N THR A 66 4.858 -2.128 7.615 1.00 0.00 N ATOM 1042 CA THR A 66 3.567 -2.786 7.445 1.00 0.00 C ATOM 1043 C THR A 66 2.538 -1.702 7.150 1.00 0.00 C ATOM 1044 O THR A 66 2.250 -0.844 7.987 1.00 0.00 O ATOM 1045 CB THR A 66 3.184 -3.679 8.635 1.00 0.00 C ATOM 1046 OG1 THR A 66 4.232 -4.563 8.986 1.00 0.00 O ATOM 1047 CG2 THR A 66 1.977 -4.535 8.238 1.00 0.00 C ATOM 0 H THR A 66 4.849 -1.384 8.312 1.00 0.00 H new ATOM 0 HA THR A 66 3.615 -3.483 6.608 1.00 0.00 H new ATOM 0 HB THR A 66 2.966 -3.029 9.483 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.954 -5.114 9.747 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.694 -5.175 9.074 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.141 -3.886 7.978 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.237 -5.154 7.379 1.00 0.00 H new ATOM 1055 N LEU A 67 1.991 -1.727 5.941 1.00 0.00 N ATOM 1056 CA LEU A 67 1.000 -0.776 5.473 1.00 0.00 C ATOM 1057 C LEU A 67 -0.399 -1.381 5.650 1.00 0.00 C ATOM 1058 O LEU A 67 -0.546 -2.596 5.807 1.00 0.00 O ATOM 1059 CB LEU A 67 1.315 -0.408 4.012 1.00 0.00 C ATOM 1060 CG LEU A 67 2.625 0.402 3.838 1.00 0.00 C ATOM 1061 CD1 LEU A 67 3.912 -0.439 3.893 1.00 0.00 C ATOM 1062 CD2 LEU A 67 2.601 1.118 2.489 1.00 0.00 C ATOM 0 H LEU A 67 2.234 -2.430 5.243 1.00 0.00 H new ATOM 0 HA LEU A 67 1.027 0.146 6.054 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.384 -1.323 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.485 0.170 3.606 1.00 0.00 H new ATOM 0 HG LEU A 67 2.653 1.091 4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.777 0.211 3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.978 -0.941 4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.894 -1.184 3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.521 1.689 2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.518 0.383 1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.747 1.794 2.451 1.00 0.00 H new ATOM 1074 N HIS A 68 -1.429 -0.536 5.633 1.00 0.00 N ATOM 1075 CA HIS A 68 -2.833 -0.924 5.776 1.00 0.00 C ATOM 1076 C HIS A 68 -3.594 -0.601 4.491 1.00 0.00 C ATOM 1077 O HIS A 68 -3.195 0.278 3.723 1.00 0.00 O ATOM 1078 CB HIS A 68 -3.488 -0.185 6.955 1.00 0.00 C ATOM 1079 CG HIS A 68 -3.340 -0.863 8.290 1.00 0.00 C ATOM 1080 ND1 HIS A 68 -2.324 -0.662 9.195 1.00 0.00 N ATOM 1081 CD2 HIS A 68 -4.251 -1.707 8.871 1.00 0.00 C ATOM 1082 CE1 HIS A 68 -2.620 -1.358 10.300 1.00 0.00 C ATOM 1083 NE2 HIS A 68 -3.779 -2.027 10.149 1.00 0.00 N ATOM 0 H HIS A 68 -1.306 0.470 5.516 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.873 -1.996 5.969 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.058 0.814 7.022 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.550 -0.062 6.742 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.168 -2.061 8.423 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -2.011 -1.380 11.192 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -4.224 -2.643 10.829 1.00 0.00 H new ATOM 1091 N LEU A 69 -4.706 -1.311 4.280 1.00 0.00 N ATOM 1092 CA LEU A 69 -5.603 -1.181 3.137 1.00 0.00 C ATOM 1093 C LEU A 69 -7.008 -0.868 3.673 1.00 0.00 C ATOM 1094 O LEU A 69 -7.509 -1.582 4.549 1.00 0.00 O ATOM 1095 CB LEU A 69 -5.495 -2.464 2.292 1.00 0.00 C ATOM 1096 CG LEU A 69 -4.236 -2.459 1.393 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -3.935 -3.856 0.837 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -4.336 -1.490 0.206 1.00 0.00 C ATOM 0 H LEU A 69 -5.017 -2.027 4.937 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.341 -0.360 2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.467 -3.332 2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.385 -2.565 1.670 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.431 -2.125 2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.044 -3.814 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.766 -4.547 1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.781 -4.201 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.419 -1.538 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.183 -1.768 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.477 -0.474 0.576 1.00 0.00 H new ATOM 1110 N VAL A 70 -7.620 0.228 3.212 1.00 0.00 N ATOM 1111 CA VAL A 70 -8.944 0.691 3.642 1.00 0.00 C ATOM 1112 C VAL A 70 -9.802 1.268 2.498 1.00 0.00 C ATOM 1113 O VAL A 70 -9.342 1.435 1.370 1.00 0.00 O ATOM 1114 CB VAL A 70 -8.746 1.773 4.739 1.00 0.00 C ATOM 1115 CG1 VAL A 70 -7.942 1.297 5.960 1.00 0.00 C ATOM 1116 CG2 VAL A 70 -8.072 3.047 4.203 1.00 0.00 C ATOM 0 H VAL A 70 -7.196 0.834 2.510 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.487 -0.175 4.019 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.766 1.990 5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.851 2.113 6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.456 0.458 6.429 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.949 0.982 5.641 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.959 3.767 5.013 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.090 2.797 3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.688 3.480 3.415 1.00 0.00 H new ATOM 1126 N LEU A 71 -11.079 1.551 2.771 1.00 0.00 N ATOM 1127 CA LEU A 71 -12.030 2.171 1.844 1.00 0.00 C ATOM 1128 C LEU A 71 -12.934 3.120 2.641 1.00 0.00 C ATOM 1129 O LEU A 71 -12.673 3.380 3.819 1.00 0.00 O ATOM 1130 CB LEU A 71 -12.821 1.125 1.036 1.00 0.00 C ATOM 1131 CG LEU A 71 -13.951 0.424 1.825 1.00 0.00 C ATOM 1132 CD1 LEU A 71 -15.292 0.547 1.103 1.00 0.00 C ATOM 1133 CD2 LEU A 71 -13.610 -1.040 2.065 1.00 0.00 C ATOM 0 H LEU A 71 -11.495 1.346 3.680 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.488 2.748 1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.254 1.611 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.128 0.368 0.669 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.041 0.924 2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.065 0.044 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.550 1.600 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -15.219 0.085 0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.418 -1.515 2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.483 -1.546 1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.685 -1.109 2.638 1.00 0.00 H new ATOM 1145 N ARG A 72 -13.996 3.654 2.040 1.00 0.00 N ATOM 1146 CA ARG A 72 -14.951 4.528 2.711 1.00 0.00 C ATOM 1147 C ARG A 72 -16.255 4.307 1.962 1.00 0.00 C ATOM 1148 O ARG A 72 -16.257 4.409 0.737 1.00 0.00 O ATOM 1149 CB ARG A 72 -14.465 5.996 2.716 1.00 0.00 C ATOM 1150 CG ARG A 72 -14.776 6.714 4.041 1.00 0.00 C ATOM 1151 CD ARG A 72 -13.931 6.178 5.208 1.00 0.00 C ATOM 1152 NE ARG A 72 -14.533 6.488 6.513 1.00 0.00 N ATOM 1153 CZ ARG A 72 -14.465 5.716 7.603 1.00 0.00 C ATOM 1154 NH1 ARG A 72 -13.664 4.658 7.636 1.00 0.00 N ATOM 1155 NH2 ARG A 72 -15.216 5.994 8.656 1.00 0.00 N ATOM 0 H ARG A 72 -14.219 3.488 1.059 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.075 4.300 3.770 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -13.390 6.020 2.537 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.937 6.535 1.895 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -14.594 7.782 3.924 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.834 6.595 4.277 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -13.819 5.098 5.108 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.931 6.609 5.159 1.00 0.00 H new ATOM 0 HE ARG A 72 -15.046 7.366 6.594 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.092 4.426 6.824 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.621 4.077 8.473 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.846 6.796 8.636 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -15.165 5.406 9.488 1.00 0.00 H new ATOM 1169 N LEU A 73 -17.352 4.032 2.668 1.00 0.00 N ATOM 1170 CA LEU A 73 -18.648 3.768 2.048 1.00 0.00 C ATOM 1171 C LEU A 73 -19.781 4.180 2.979 1.00 0.00 C ATOM 1172 O LEU A 73 -19.694 3.949 4.187 1.00 0.00 O ATOM 1173 CB LEU A 73 -18.778 2.244 1.780 1.00 0.00 C ATOM 1174 CG LEU A 73 -18.881 1.861 0.295 1.00 0.00 C ATOM 1175 CD1 LEU A 73 -18.888 0.339 0.148 1.00 0.00 C ATOM 1176 CD2 LEU A 73 -20.164 2.407 -0.339 1.00 0.00 C ATOM 0 H LEU A 73 -17.366 3.986 3.687 1.00 0.00 H new ATOM 0 HA LEU A 73 -18.712 4.338 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -17.915 1.738 2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -19.661 1.871 2.300 1.00 0.00 H new ATOM 0 HG LEU A 73 -18.019 2.294 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.961 0.076 -0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.966 -0.071 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -19.742 -0.074 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -20.203 2.117 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -21.030 1.999 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -20.173 3.494 -0.262 1.00 0.00 H new ATOM 1188 N ARG A 74 -20.826 4.802 2.434 1.00 0.00 N ATOM 1189 CA ARG A 74 -22.011 5.209 3.194 1.00 0.00 C ATOM 1190 C ARG A 74 -23.098 4.156 2.960 1.00 0.00 C ATOM 1191 O ARG A 74 -23.965 3.963 3.809 1.00 0.00 O ATOM 1192 CB ARG A 74 -22.471 6.614 2.785 1.00 0.00 C ATOM 1193 CG ARG A 74 -21.496 7.742 3.168 1.00 0.00 C ATOM 1194 CD ARG A 74 -21.305 7.903 4.683 1.00 0.00 C ATOM 1195 NE ARG A 74 -22.577 8.255 5.336 1.00 0.00 N ATOM 1196 CZ ARG A 74 -23.101 9.474 5.489 1.00 0.00 C ATOM 1197 NH1 ARG A 74 -22.395 10.563 5.217 1.00 0.00 N ATOM 1198 NH2 ARG A 74 -24.329 9.613 5.954 1.00 0.00 N ATOM 0 H ARG A 74 -20.876 5.040 1.444 1.00 0.00 H new ATOM 0 HA ARG A 74 -21.783 5.265 4.258 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -22.623 6.633 1.706 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -23.438 6.815 3.246 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -20.528 7.546 2.707 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -21.861 8.682 2.755 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -20.918 6.976 5.106 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -20.563 8.677 4.880 1.00 0.00 H new ATOM 0 HE ARG A 74 -23.120 7.479 5.715 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -21.434 10.478 4.885 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -22.813 11.485 5.340 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -24.879 8.789 6.197 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -24.728 10.545 6.070 1.00 0.00 H new ATOM 1212 N GLY A 75 -23.025 3.430 1.844 1.00 0.00 N ATOM 1213 CA GLY A 75 -23.920 2.354 1.450 1.00 0.00 C ATOM 1214 C GLY A 75 -23.386 1.035 2.021 1.00 0.00 C ATOM 1215 O GLY A 75 -23.366 0.023 1.327 1.00 0.00 O ATOM 0 H GLY A 75 -22.293 3.591 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -24.927 2.546 1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -23.986 2.296 0.364 1.00 0.00 H new ATOM 1219 N GLY A 76 -22.831 1.054 3.234 1.00 0.00 N ATOM 1220 CA GLY A 76 -22.262 -0.092 3.917 1.00 0.00 C ATOM 1221 C GLY A 76 -21.603 0.434 5.166 1.00 0.00 C ATOM 1222 O GLY A 76 -20.485 -0.004 5.501 1.00 0.00 O ATOM 0 H GLY A 76 -22.767 1.910 3.785 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -23.036 -0.819 4.164 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -21.537 -0.601 3.282 1.00 0.00 H new TER 1226 GLY A 76