USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 721 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 38:sc= 0.974 USER MOD Single : A 3 SER OG : rot -61:sc= 0.153 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -174:sc= -0.282 USER MOD Single : A 11 LYS NZ :NH3+ -116:sc= -2.21 (180deg=-4.53!) USER MOD Single : A 14 LYS NZ :NH3+ -161:sc= -0.0394 (180deg=-0.282) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -163:sc=-0.00899 (180deg=-0.238) USER MOD Single : A 23 LYS NZ :NH3+ 139:sc= -0.318 (180deg=-0.963) USER MOD Single : A 24 ASN : amide:sc= -0.0661 X(o=-0.066,f=0) USER MOD Single : A 28 GLN : amide:sc= -0.0137 K(o=-0.014,f=-1.3) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 31 ASN : amide:sc= -1.37 K(o=-1.4,f=-3.4!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0575 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.269 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -50:sc= 1.17 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 92:sc= 1.29 USER MOD Single : A 44 GLN : amide:sc= -9.96! C(o=-10!,f=-14!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.252 X(o=-0.25,f=-0.52) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.1 K(o=-0.1,f=-3.1!) USER MOD Single : A 74 THR OG1 : rot 44:sc= 0.202 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 52:sc= 1.22 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.108 11.939 -6.143 1.00 0.00 N ATOM 2 CA GLY A 1 19.258 11.977 -7.028 1.00 0.00 C ATOM 3 C GLY A 1 18.877 11.788 -8.482 1.00 0.00 C ATOM 4 O GLY A 1 18.031 12.511 -9.008 1.00 0.00 O ATOM 0 H1 GLY A 1 18.422 12.073 -5.160 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.446 12.698 -6.402 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.632 11.019 -6.232 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.771 12.932 -6.911 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.963 11.199 -6.736 1.00 0.00 H new ATOM 8 N SER A 2 19.503 10.815 -9.135 1.00 0.00 N ATOM 9 CA SER A 2 19.230 10.537 -10.539 1.00 0.00 C ATOM 10 C SER A 2 17.739 10.314 -10.769 1.00 0.00 C ATOM 11 O SER A 2 17.205 9.247 -10.461 1.00 0.00 O ATOM 12 CB SER A 2 20.017 9.310 -11.002 1.00 0.00 C ATOM 13 OG SER A 2 19.630 8.154 -10.280 1.00 0.00 O ATOM 0 H SER A 2 20.204 10.205 -8.713 1.00 0.00 H new ATOM 0 HA SER A 2 19.545 11.403 -11.122 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.852 9.149 -12.067 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.084 9.486 -10.867 1.00 0.00 H new ATOM 0 HG SER A 2 18.664 8.178 -10.118 1.00 0.00 H new ATOM 19 N SER A 3 17.071 11.327 -11.310 1.00 0.00 N ATOM 20 CA SER A 3 15.639 11.244 -11.578 1.00 0.00 C ATOM 21 C SER A 3 14.848 11.162 -10.276 1.00 0.00 C ATOM 22 O SER A 3 13.904 10.381 -10.158 1.00 0.00 O ATOM 23 CB SER A 3 15.332 10.027 -12.452 1.00 0.00 C ATOM 24 OG SER A 3 14.023 10.104 -12.991 1.00 0.00 O ATOM 0 H SER A 3 17.498 12.216 -11.572 1.00 0.00 H new ATOM 0 HA SER A 3 15.340 12.148 -12.109 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.059 9.964 -13.262 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.433 9.116 -11.861 1.00 0.00 H new ATOM 0 HG SER A 3 13.369 10.121 -12.261 1.00 0.00 H new ATOM 30 N GLY A 4 15.241 11.974 -9.298 1.00 0.00 N ATOM 31 CA GLY A 4 14.559 11.977 -8.018 1.00 0.00 C ATOM 32 C GLY A 4 14.030 13.348 -7.647 1.00 0.00 C ATOM 33 O GLY A 4 14.779 14.205 -7.179 1.00 0.00 O ATOM 0 H GLY A 4 16.019 12.629 -9.370 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.732 11.268 -8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.245 11.634 -7.243 1.00 0.00 H new ATOM 37 N SER A 5 12.734 13.557 -7.857 1.00 0.00 N ATOM 38 CA SER A 5 12.105 14.836 -7.547 1.00 0.00 C ATOM 39 C SER A 5 11.643 14.876 -6.094 1.00 0.00 C ATOM 40 O SER A 5 11.190 13.870 -5.547 1.00 0.00 O ATOM 41 CB SER A 5 10.918 15.084 -8.480 1.00 0.00 C ATOM 42 OG SER A 5 11.355 15.460 -9.774 1.00 0.00 O ATOM 0 H SER A 5 12.099 12.857 -8.241 1.00 0.00 H new ATOM 0 HA SER A 5 12.845 15.623 -7.696 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.309 14.182 -8.546 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.283 15.867 -8.065 1.00 0.00 H new ATOM 0 HG SER A 5 10.577 15.611 -10.351 1.00 0.00 H new ATOM 48 N SER A 6 11.760 16.046 -5.474 1.00 0.00 N ATOM 49 CA SER A 6 11.358 16.218 -4.083 1.00 0.00 C ATOM 50 C SER A 6 9.866 16.520 -3.982 1.00 0.00 C ATOM 51 O SER A 6 9.220 16.854 -4.975 1.00 0.00 O ATOM 52 CB SER A 6 12.163 17.344 -3.432 1.00 0.00 C ATOM 53 OG SER A 6 11.759 18.609 -3.924 1.00 0.00 O ATOM 0 H SER A 6 12.130 16.889 -5.913 1.00 0.00 H new ATOM 0 HA SER A 6 11.559 15.286 -3.555 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.031 17.312 -2.351 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.225 17.196 -3.628 1.00 0.00 H new ATOM 0 HG SER A 6 12.287 19.312 -3.491 1.00 0.00 H new ATOM 59 N GLY A 7 9.324 16.399 -2.773 1.00 0.00 N ATOM 60 CA GLY A 7 7.912 16.663 -2.564 1.00 0.00 C ATOM 61 C GLY A 7 7.259 15.637 -1.658 1.00 0.00 C ATOM 62 O GLY A 7 7.905 14.685 -1.221 1.00 0.00 O ATOM 0 H GLY A 7 9.837 16.123 -1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.791 17.656 -2.130 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.401 16.671 -3.527 1.00 0.00 H new ATOM 66 N SER A 8 5.976 15.832 -1.375 1.00 0.00 N ATOM 67 CA SER A 8 5.236 14.919 -0.511 1.00 0.00 C ATOM 68 C SER A 8 4.071 14.285 -1.263 1.00 0.00 C ATOM 69 O SER A 8 3.873 13.070 -1.213 1.00 0.00 O ATOM 70 CB SER A 8 4.718 15.659 0.724 1.00 0.00 C ATOM 71 OG SER A 8 5.757 15.865 1.666 1.00 0.00 O ATOM 0 H SER A 8 5.426 16.614 -1.731 1.00 0.00 H new ATOM 0 HA SER A 8 5.915 14.128 -0.193 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.296 16.619 0.427 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.913 15.086 1.185 1.00 0.00 H new ATOM 0 HG SER A 8 5.384 16.254 2.484 1.00 0.00 H new ATOM 77 N ILE A 9 3.301 15.115 -1.960 1.00 0.00 N ATOM 78 CA ILE A 9 2.155 14.636 -2.723 1.00 0.00 C ATOM 79 C ILE A 9 2.523 13.411 -3.554 1.00 0.00 C ATOM 80 O ILE A 9 1.761 12.446 -3.627 1.00 0.00 O ATOM 81 CB ILE A 9 1.603 15.729 -3.656 1.00 0.00 C ATOM 82 CG1 ILE A 9 1.330 17.012 -2.869 1.00 0.00 C ATOM 83 CG2 ILE A 9 0.337 15.246 -4.347 1.00 0.00 C ATOM 84 CD1 ILE A 9 0.456 16.800 -1.652 1.00 0.00 C ATOM 0 H ILE A 9 3.450 16.123 -2.012 1.00 0.00 H new ATOM 0 HA ILE A 9 1.385 14.365 -2.001 1.00 0.00 H new ATOM 0 HB ILE A 9 2.350 15.945 -4.419 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.280 17.444 -2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.853 17.738 -3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.041 16.030 -5.003 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.561 14.356 -4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.417 15.005 -3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.304 17.752 -1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.508 16.397 -1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.941 16.099 -0.973 1.00 0.00 H new ATOM 96 N LEU A 10 3.694 13.456 -4.178 1.00 0.00 N ATOM 97 CA LEU A 10 4.165 12.350 -5.004 1.00 0.00 C ATOM 98 C LEU A 10 4.465 11.122 -4.149 1.00 0.00 C ATOM 99 O LEU A 10 4.296 9.986 -4.595 1.00 0.00 O ATOM 100 CB LEU A 10 5.416 12.762 -5.780 1.00 0.00 C ATOM 101 CG LEU A 10 5.191 13.692 -6.973 1.00 0.00 C ATOM 102 CD1 LEU A 10 6.473 14.428 -7.327 1.00 0.00 C ATOM 103 CD2 LEU A 10 4.676 12.906 -8.171 1.00 0.00 C ATOM 0 H LEU A 10 4.336 14.247 -4.128 1.00 0.00 H new ATOM 0 HA LEU A 10 3.375 12.095 -5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.103 13.250 -5.089 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.911 11.859 -6.137 1.00 0.00 H new ATOM 0 HG LEU A 10 4.438 14.431 -6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.292 15.085 -8.178 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.799 15.022 -6.473 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.248 13.706 -7.584 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.521 13.583 -9.011 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.406 12.145 -8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.732 12.426 -7.913 1.00 0.00 H new ATOM 115 N LYS A 11 4.908 11.357 -2.919 1.00 0.00 N ATOM 116 CA LYS A 11 5.228 10.272 -2.000 1.00 0.00 C ATOM 117 C LYS A 11 4.026 9.354 -1.803 1.00 0.00 C ATOM 118 O LYS A 11 4.153 8.130 -1.852 1.00 0.00 O ATOM 119 CB LYS A 11 5.679 10.836 -0.651 1.00 0.00 C ATOM 120 CG LYS A 11 6.819 11.833 -0.759 1.00 0.00 C ATOM 121 CD LYS A 11 8.111 11.159 -1.194 1.00 0.00 C ATOM 122 CE LYS A 11 8.723 10.347 -0.063 1.00 0.00 C ATOM 123 NZ LYS A 11 8.126 8.986 0.029 1.00 0.00 N ATOM 0 H LYS A 11 5.054 12.291 -2.535 1.00 0.00 H new ATOM 0 HA LYS A 11 6.041 9.689 -2.433 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.830 11.319 -0.166 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.988 10.012 -0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.555 12.612 -1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.969 12.321 0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.914 10.508 -2.046 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.822 11.914 -1.528 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.799 10.262 -0.218 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.577 10.872 0.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.628 8.886 0.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.453 8.849 -0.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.879 8.272 -0.033 1.00 0.00 H new ATOM 137 N ILE A 12 2.860 9.952 -1.581 1.00 0.00 N ATOM 138 CA ILE A 12 1.635 9.188 -1.379 1.00 0.00 C ATOM 139 C ILE A 12 1.168 8.544 -2.681 1.00 0.00 C ATOM 140 O ILE A 12 0.766 7.381 -2.700 1.00 0.00 O ATOM 141 CB ILE A 12 0.504 10.072 -0.822 1.00 0.00 C ATOM 142 CG1 ILE A 12 0.831 10.516 0.606 1.00 0.00 C ATOM 143 CG2 ILE A 12 -0.820 9.325 -0.861 1.00 0.00 C ATOM 144 CD1 ILE A 12 1.632 11.797 0.671 1.00 0.00 C ATOM 0 H ILE A 12 2.738 10.964 -1.536 1.00 0.00 H new ATOM 0 HA ILE A 12 1.866 8.409 -0.653 1.00 0.00 H new ATOM 0 HB ILE A 12 0.415 10.960 -1.447 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.099 10.650 1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.387 9.723 1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.610 9.963 -0.464 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.055 9.055 -1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.746 8.421 -0.256 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.827 12.052 1.713 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.578 11.661 0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.069 12.603 0.200 1.00 0.00 H new ATOM 156 N GLU A 13 1.227 9.309 -3.767 1.00 0.00 N ATOM 157 CA GLU A 13 0.811 8.812 -5.073 1.00 0.00 C ATOM 158 C GLU A 13 1.614 7.575 -5.466 1.00 0.00 C ATOM 159 O GLU A 13 1.100 6.669 -6.122 1.00 0.00 O ATOM 160 CB GLU A 13 0.978 9.901 -6.135 1.00 0.00 C ATOM 161 CG GLU A 13 -0.121 10.950 -6.110 1.00 0.00 C ATOM 162 CD GLU A 13 -1.490 10.367 -6.404 1.00 0.00 C ATOM 163 OE1 GLU A 13 -1.567 9.407 -7.200 1.00 0.00 O ATOM 164 OE2 GLU A 13 -2.482 10.870 -5.838 1.00 0.00 O ATOM 0 H GLU A 13 1.558 10.274 -3.768 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.241 8.535 -5.009 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.940 10.392 -5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.002 9.435 -7.120 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.137 11.431 -5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.105 11.725 -6.842 1.00 0.00 H new ATOM 171 N LYS A 14 2.879 7.545 -5.061 1.00 0.00 N ATOM 172 CA LYS A 14 3.755 6.421 -5.369 1.00 0.00 C ATOM 173 C LYS A 14 3.402 5.207 -4.515 1.00 0.00 C ATOM 174 O LYS A 14 3.210 4.106 -5.033 1.00 0.00 O ATOM 175 CB LYS A 14 5.217 6.810 -5.141 1.00 0.00 C ATOM 176 CG LYS A 14 6.208 5.799 -5.692 1.00 0.00 C ATOM 177 CD LYS A 14 7.638 6.301 -5.578 1.00 0.00 C ATOM 178 CE LYS A 14 8.023 7.163 -6.772 1.00 0.00 C ATOM 179 NZ LYS A 14 8.145 6.360 -8.020 1.00 0.00 N ATOM 0 H LYS A 14 3.321 8.287 -4.518 1.00 0.00 H new ATOM 0 HA LYS A 14 3.614 6.159 -6.418 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.403 7.779 -5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.390 6.930 -4.072 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.108 4.858 -5.151 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.976 5.593 -6.737 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.750 6.878 -4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.318 5.452 -5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.274 7.942 -6.914 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.970 7.664 -6.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.704 6.888 -8.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.618 5.458 -7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.198 6.171 -8.405 1.00 0.00 H new ATOM 193 N VAL A 15 3.318 5.414 -3.204 1.00 0.00 N ATOM 194 CA VAL A 15 2.986 4.337 -2.280 1.00 0.00 C ATOM 195 C VAL A 15 1.771 3.553 -2.762 1.00 0.00 C ATOM 196 O VAL A 15 1.649 2.355 -2.504 1.00 0.00 O ATOM 197 CB VAL A 15 2.704 4.879 -0.866 1.00 0.00 C ATOM 198 CG1 VAL A 15 2.325 3.745 0.075 1.00 0.00 C ATOM 199 CG2 VAL A 15 3.912 5.639 -0.337 1.00 0.00 C ATOM 0 H VAL A 15 3.475 6.318 -2.759 1.00 0.00 H new ATOM 0 HA VAL A 15 3.851 3.674 -2.243 1.00 0.00 H new ATOM 0 HB VAL A 15 1.863 5.570 -0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.129 4.147 1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.430 3.247 -0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.144 3.028 0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.696 6.015 0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.772 4.971 -0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.134 6.476 -0.999 1.00 0.00 H new ATOM 209 N LEU A 16 0.875 4.236 -3.466 1.00 0.00 N ATOM 210 CA LEU A 16 -0.332 3.604 -3.987 1.00 0.00 C ATOM 211 C LEU A 16 -0.153 3.210 -5.450 1.00 0.00 C ATOM 212 O LEU A 16 -0.666 2.184 -5.895 1.00 0.00 O ATOM 213 CB LEU A 16 -1.528 4.546 -3.844 1.00 0.00 C ATOM 214 CG LEU A 16 -1.750 5.143 -2.454 1.00 0.00 C ATOM 215 CD1 LEU A 16 -2.711 6.319 -2.526 1.00 0.00 C ATOM 216 CD2 LEU A 16 -2.272 4.082 -1.496 1.00 0.00 C ATOM 0 H LEU A 16 0.962 5.228 -3.689 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.518 2.700 -3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.407 5.364 -4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.428 4.004 -4.133 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.793 5.505 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.857 6.731 -1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.297 7.088 -3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.669 5.983 -2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.424 4.524 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.218 3.690 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.547 3.271 -1.421 1.00 0.00 H new ATOM 228 N LYS A 17 0.582 4.031 -6.192 1.00 0.00 N ATOM 229 CA LYS A 17 0.834 3.767 -7.604 1.00 0.00 C ATOM 230 C LYS A 17 1.239 2.313 -7.823 1.00 0.00 C ATOM 231 O LYS A 17 0.865 1.699 -8.822 1.00 0.00 O ATOM 232 CB LYS A 17 1.930 4.698 -8.130 1.00 0.00 C ATOM 233 CG LYS A 17 2.392 4.359 -9.537 1.00 0.00 C ATOM 234 CD LYS A 17 1.541 5.056 -10.585 1.00 0.00 C ATOM 235 CE LYS A 17 0.343 4.209 -10.987 1.00 0.00 C ATOM 236 NZ LYS A 17 0.683 3.245 -12.068 1.00 0.00 N ATOM 0 H LYS A 17 1.014 4.885 -5.839 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.089 3.955 -8.153 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.562 5.724 -8.115 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.785 4.656 -7.456 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.435 4.652 -9.659 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.345 3.280 -9.687 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.196 6.014 -10.196 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.148 5.269 -11.465 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.025 3.664 -10.117 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.465 4.859 -11.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.160 2.687 -12.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.010 3.765 -12.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.437 2.608 -11.740 1.00 0.00 H new ATOM 250 N ARG A 18 2.003 1.768 -6.882 1.00 0.00 N ATOM 251 CA ARG A 18 2.457 0.386 -6.972 1.00 0.00 C ATOM 252 C ARG A 18 1.464 -0.558 -6.300 1.00 0.00 C ATOM 253 O ARG A 18 1.102 -1.593 -6.859 1.00 0.00 O ATOM 254 CB ARG A 18 3.836 0.237 -6.327 1.00 0.00 C ATOM 255 CG ARG A 18 4.634 -0.942 -6.859 1.00 0.00 C ATOM 256 CD ARG A 18 5.435 -0.561 -8.094 1.00 0.00 C ATOM 257 NE ARG A 18 6.520 -1.503 -8.356 1.00 0.00 N ATOM 258 CZ ARG A 18 7.595 -1.204 -9.075 1.00 0.00 C ATOM 259 NH1 ARG A 18 7.731 0.005 -9.601 1.00 0.00 N ATOM 260 NH2 ARG A 18 8.540 -2.117 -9.269 1.00 0.00 N ATOM 0 H ARG A 18 2.320 2.263 -6.048 1.00 0.00 H new ATOM 0 HA ARG A 18 2.526 0.121 -8.027 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.405 1.153 -6.490 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.714 0.125 -5.250 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.309 -1.305 -6.084 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.957 -1.761 -7.102 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.772 -0.523 -8.958 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.847 0.440 -7.964 1.00 0.00 H new ATOM 0 HE ARG A 18 6.448 -2.442 -7.965 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.008 0.709 -9.454 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.559 0.231 -10.153 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.440 -3.048 -8.865 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.366 -1.887 -9.822 1.00 0.00 H new ATOM 274 N MET A 19 1.030 -0.193 -5.099 1.00 0.00 N ATOM 275 CA MET A 19 0.078 -1.008 -4.351 1.00 0.00 C ATOM 276 C MET A 19 -0.975 -1.602 -5.280 1.00 0.00 C ATOM 277 O MET A 19 -1.441 -2.722 -5.070 1.00 0.00 O ATOM 278 CB MET A 19 -0.597 -0.171 -3.263 1.00 0.00 C ATOM 279 CG MET A 19 -1.646 -0.935 -2.473 1.00 0.00 C ATOM 280 SD MET A 19 -3.218 -1.063 -3.347 1.00 0.00 S ATOM 281 CE MET A 19 -3.845 0.604 -3.163 1.00 0.00 C ATOM 0 H MET A 19 1.321 0.660 -4.622 1.00 0.00 H new ATOM 0 HA MET A 19 0.626 -1.826 -3.882 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.164 0.200 -2.577 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.063 0.700 -3.723 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.273 -1.936 -2.255 1.00 0.00 H new ATOM 0 HG3 MET A 19 -1.806 -0.439 -1.516 1.00 0.00 H new ATOM 0 HE1 MET A 19 -4.914 0.616 -3.374 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.673 0.947 -2.143 1.00 0.00 H new ATOM 0 HE3 MET A 19 -3.330 1.265 -3.860 1.00 0.00 H new ATOM 291 N ARG A 20 -1.348 -0.845 -6.306 1.00 0.00 N ATOM 292 CA ARG A 20 -2.349 -1.297 -7.265 1.00 0.00 C ATOM 293 C ARG A 20 -1.836 -2.493 -8.063 1.00 0.00 C ATOM 294 O ARG A 20 -2.491 -3.532 -8.131 1.00 0.00 O ATOM 295 CB ARG A 20 -2.724 -0.160 -8.218 1.00 0.00 C ATOM 296 CG ARG A 20 -3.754 0.799 -7.643 1.00 0.00 C ATOM 297 CD ARG A 20 -4.263 1.768 -8.699 1.00 0.00 C ATOM 298 NE ARG A 20 -5.628 2.210 -8.426 1.00 0.00 N ATOM 299 CZ ARG A 20 -5.926 3.218 -7.614 1.00 0.00 C ATOM 300 NH1 ARG A 20 -4.960 3.886 -6.999 1.00 0.00 N ATOM 301 NH2 ARG A 20 -7.192 3.560 -7.416 1.00 0.00 N ATOM 0 H ARG A 20 -0.972 0.084 -6.495 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.235 -1.604 -6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.824 0.398 -8.477 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.112 -0.585 -9.143 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.591 0.233 -7.233 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.312 1.357 -6.818 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.604 2.635 -8.743 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.226 1.289 -9.678 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.395 1.717 -8.884 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.985 3.626 -7.149 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.192 4.660 -6.376 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.938 3.049 -7.888 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.420 4.334 -6.792 1.00 0.00 H new ATOM 315 N GLU A 21 -0.661 -2.337 -8.665 1.00 0.00 N ATOM 316 CA GLU A 21 -0.063 -3.403 -9.459 1.00 0.00 C ATOM 317 C GLU A 21 -0.143 -4.739 -8.724 1.00 0.00 C ATOM 318 O GLU A 21 -0.126 -5.802 -9.345 1.00 0.00 O ATOM 319 CB GLU A 21 1.396 -3.073 -9.780 1.00 0.00 C ATOM 320 CG GLU A 21 1.573 -2.289 -11.069 1.00 0.00 C ATOM 321 CD GLU A 21 1.469 -3.164 -12.303 1.00 0.00 C ATOM 322 OE1 GLU A 21 0.340 -3.345 -12.808 1.00 0.00 O ATOM 323 OE2 GLU A 21 2.514 -3.668 -12.764 1.00 0.00 O ATOM 0 H GLU A 21 -0.105 -1.483 -8.618 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.623 -3.485 -10.390 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.820 -2.500 -8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.963 -4.001 -9.848 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.818 -1.505 -11.120 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.545 -1.795 -11.059 1.00 0.00 H new ATOM 330 N ILE A 22 -0.231 -4.674 -7.399 1.00 0.00 N ATOM 331 CA ILE A 22 -0.314 -5.877 -6.581 1.00 0.00 C ATOM 332 C ILE A 22 -1.732 -6.441 -6.576 1.00 0.00 C ATOM 333 O ILE A 22 -1.930 -7.652 -6.682 1.00 0.00 O ATOM 334 CB ILE A 22 0.122 -5.601 -5.130 1.00 0.00 C ATOM 335 CG1 ILE A 22 1.639 -5.417 -5.057 1.00 0.00 C ATOM 336 CG2 ILE A 22 -0.324 -6.735 -4.219 1.00 0.00 C ATOM 337 CD1 ILE A 22 2.085 -3.988 -5.275 1.00 0.00 C ATOM 0 H ILE A 22 -0.247 -3.802 -6.870 1.00 0.00 H new ATOM 0 HA ILE A 22 0.364 -6.608 -7.023 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.353 -4.680 -4.792 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.991 -5.754 -4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.111 -6.055 -5.805 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.009 -6.526 -3.197 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.410 -6.823 -4.253 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.127 -7.669 -4.554 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.172 -3.932 -5.209 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.763 -3.653 -6.261 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.642 -3.348 -4.512 1.00 0.00 H new ATOM 349 N LYS A 23 -2.715 -5.556 -6.452 1.00 0.00 N ATOM 350 CA LYS A 23 -4.114 -5.963 -6.437 1.00 0.00 C ATOM 351 C LYS A 23 -4.553 -6.457 -7.811 1.00 0.00 C ATOM 352 O LYS A 23 -5.199 -7.497 -7.930 1.00 0.00 O ATOM 353 CB LYS A 23 -5.001 -4.796 -5.995 1.00 0.00 C ATOM 354 CG LYS A 23 -6.470 -5.161 -5.872 1.00 0.00 C ATOM 355 CD LYS A 23 -7.282 -4.019 -5.287 1.00 0.00 C ATOM 356 CE LYS A 23 -8.766 -4.179 -5.582 1.00 0.00 C ATOM 357 NZ LYS A 23 -9.066 -4.003 -7.029 1.00 0.00 N ATOM 0 H LYS A 23 -2.568 -4.551 -6.360 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.220 -6.782 -5.726 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.646 -4.425 -5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.897 -3.980 -6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.864 -5.423 -6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.575 -6.043 -5.241 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.127 -3.977 -4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.929 -3.073 -5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.096 -5.167 -5.260 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.332 -3.450 -5.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.767 -4.711 -7.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.447 -3.049 -7.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.194 -4.126 -7.582 1.00 0.00 H new ATOM 371 N ASN A 24 -4.196 -5.705 -8.846 1.00 0.00 N ATOM 372 CA ASN A 24 -4.552 -6.068 -10.214 1.00 0.00 C ATOM 373 C ASN A 24 -3.947 -7.416 -10.594 1.00 0.00 C ATOM 374 O ASN A 24 -4.600 -8.244 -11.227 1.00 0.00 O ATOM 375 CB ASN A 24 -4.078 -4.990 -11.190 1.00 0.00 C ATOM 376 CG ASN A 24 -4.764 -5.089 -12.539 1.00 0.00 C ATOM 377 OD1 ASN A 24 -4.113 -5.269 -13.567 1.00 0.00 O ATOM 378 ND2 ASN A 24 -6.087 -4.969 -12.539 1.00 0.00 N ATOM 0 H ASN A 24 -3.661 -4.841 -8.765 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.638 -6.148 -10.271 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.267 -4.006 -10.760 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.000 -5.076 -11.326 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.604 -5.025 -13.416 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.586 -4.821 -11.662 1.00 0.00 H new ATOM 385 N GLU A 25 -2.694 -7.628 -10.202 1.00 0.00 N ATOM 386 CA GLU A 25 -2.001 -8.875 -10.502 1.00 0.00 C ATOM 387 C GLU A 25 -2.529 -10.014 -9.634 1.00 0.00 C ATOM 388 O GLU A 25 -2.764 -11.121 -10.119 1.00 0.00 O ATOM 389 CB GLU A 25 -0.495 -8.712 -10.288 1.00 0.00 C ATOM 390 CG GLU A 25 0.327 -9.865 -10.839 1.00 0.00 C ATOM 391 CD GLU A 25 0.254 -9.963 -12.350 1.00 0.00 C ATOM 392 OE1 GLU A 25 0.015 -8.925 -13.001 1.00 0.00 O ATOM 393 OE2 GLU A 25 0.435 -11.079 -12.882 1.00 0.00 O ATOM 0 H GLU A 25 -2.139 -6.953 -9.676 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.187 -9.122 -11.547 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.168 -7.786 -10.760 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.297 -8.613 -9.221 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.367 -9.742 -10.536 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.024 -10.799 -10.401 1.00 0.00 H new ATOM 400 N LEU A 26 -2.713 -9.733 -8.349 1.00 0.00 N ATOM 401 CA LEU A 26 -3.212 -10.732 -7.412 1.00 0.00 C ATOM 402 C LEU A 26 -4.621 -11.178 -7.790 1.00 0.00 C ATOM 403 O LEU A 26 -4.972 -12.350 -7.648 1.00 0.00 O ATOM 404 CB LEU A 26 -3.207 -10.172 -5.988 1.00 0.00 C ATOM 405 CG LEU A 26 -4.184 -10.823 -5.008 1.00 0.00 C ATOM 406 CD1 LEU A 26 -3.853 -12.295 -4.822 1.00 0.00 C ATOM 407 CD2 LEU A 26 -4.161 -10.097 -3.671 1.00 0.00 C ATOM 0 H LEU A 26 -2.524 -8.821 -7.932 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.552 -11.598 -7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.199 -10.269 -5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.429 -9.106 -6.037 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.189 -10.748 -5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.559 -12.741 -4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.921 -12.807 -5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.841 -12.394 -4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.862 -10.574 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.156 -10.141 -3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.448 -9.056 -3.817 1.00 0.00 H new ATOM 419 N LEU A 27 -5.423 -10.237 -8.274 1.00 0.00 N ATOM 420 CA LEU A 27 -6.794 -10.532 -8.677 1.00 0.00 C ATOM 421 C LEU A 27 -6.819 -11.369 -9.951 1.00 0.00 C ATOM 422 O LEU A 27 -7.676 -12.237 -10.119 1.00 0.00 O ATOM 423 CB LEU A 27 -7.575 -9.235 -8.890 1.00 0.00 C ATOM 424 CG LEU A 27 -7.990 -8.485 -7.624 1.00 0.00 C ATOM 425 CD1 LEU A 27 -8.632 -7.153 -7.977 1.00 0.00 C ATOM 426 CD2 LEU A 27 -8.940 -9.332 -6.789 1.00 0.00 C ATOM 0 H LEU A 27 -5.148 -9.263 -8.397 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.265 -11.105 -7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.970 -8.566 -9.502 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.473 -9.465 -9.463 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.095 -8.288 -7.033 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.920 -6.634 -7.063 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.920 -6.542 -8.532 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.516 -7.326 -8.590 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.225 -8.782 -5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.832 -9.561 -7.373 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.445 -10.260 -6.504 1.00 0.00 H new ATOM 438 N GLN A 28 -5.871 -11.106 -10.845 1.00 0.00 N ATOM 439 CA GLN A 28 -5.784 -11.836 -12.104 1.00 0.00 C ATOM 440 C GLN A 28 -4.523 -12.692 -12.152 1.00 0.00 C ATOM 441 O GLN A 28 -3.857 -12.777 -13.182 1.00 0.00 O ATOM 442 CB GLN A 28 -5.799 -10.864 -13.285 1.00 0.00 C ATOM 443 CG GLN A 28 -7.093 -10.074 -13.407 1.00 0.00 C ATOM 444 CD GLN A 28 -8.192 -10.858 -14.096 1.00 0.00 C ATOM 445 OE1 GLN A 28 -8.026 -12.037 -14.411 1.00 0.00 O ATOM 446 NE2 GLN A 28 -9.324 -10.206 -14.334 1.00 0.00 N ATOM 0 H GLN A 28 -5.153 -10.393 -10.721 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.651 -12.494 -12.173 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.966 -10.168 -13.183 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.636 -11.423 -14.207 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.430 -9.780 -12.413 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.903 -9.156 -13.963 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.418 -9.229 -14.056 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.099 -10.682 -14.795 1.00 0.00 H new ATOM 455 N ALA A 29 -4.201 -13.323 -11.028 1.00 0.00 N ATOM 456 CA ALA A 29 -3.019 -14.174 -10.941 1.00 0.00 C ATOM 457 C ALA A 29 -3.400 -15.650 -11.000 1.00 0.00 C ATOM 458 O ALA A 29 -4.393 -16.068 -10.404 1.00 0.00 O ATOM 459 CB ALA A 29 -2.247 -13.877 -9.664 1.00 0.00 C ATOM 0 H ALA A 29 -4.741 -13.262 -10.165 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.381 -13.956 -11.797 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.368 -14.519 -9.613 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.934 -12.833 -9.662 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.885 -14.066 -8.801 1.00 0.00 H new ATOM 465 N GLN A 30 -2.605 -16.432 -11.722 1.00 0.00 N ATOM 466 CA GLN A 30 -2.861 -17.862 -11.858 1.00 0.00 C ATOM 467 C GLN A 30 -2.456 -18.611 -10.593 1.00 0.00 C ATOM 468 O GLN A 30 -3.059 -19.623 -10.240 1.00 0.00 O ATOM 469 CB GLN A 30 -2.105 -18.424 -13.063 1.00 0.00 C ATOM 470 CG GLN A 30 -2.302 -17.617 -14.336 1.00 0.00 C ATOM 471 CD GLN A 30 -3.486 -18.095 -15.153 1.00 0.00 C ATOM 472 OE1 GLN A 30 -3.480 -19.207 -15.684 1.00 0.00 O ATOM 473 NE2 GLN A 30 -4.511 -17.258 -15.257 1.00 0.00 N ATOM 0 H GLN A 30 -1.779 -16.101 -12.221 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.931 -18.001 -12.012 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.041 -18.462 -12.828 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.430 -19.449 -13.239 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.444 -16.567 -14.078 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.399 -17.677 -14.943 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.473 -16.347 -14.801 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.336 -17.526 -15.793 1.00 0.00 H new ATOM 482 N ASN A 31 -1.429 -18.107 -9.917 1.00 0.00 N ATOM 483 CA ASN A 31 -0.941 -18.730 -8.691 1.00 0.00 C ATOM 484 C ASN A 31 -0.787 -17.696 -7.580 1.00 0.00 C ATOM 485 O ASN A 31 0.318 -17.277 -7.237 1.00 0.00 O ATOM 486 CB ASN A 31 0.398 -19.425 -8.945 1.00 0.00 C ATOM 487 CG ASN A 31 0.289 -20.531 -9.977 1.00 0.00 C ATOM 488 OD1 ASN A 31 -0.804 -20.858 -10.440 1.00 0.00 O ATOM 489 ND2 ASN A 31 1.425 -21.112 -10.344 1.00 0.00 N ATOM 0 H ASN A 31 -0.918 -17.269 -10.197 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.673 -19.472 -8.374 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.128 -18.689 -9.281 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.772 -19.841 -8.009 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.414 -21.861 -11.036 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.308 -20.809 -9.934 1.00 0.00 H new ATOM 496 N PRO A 32 -1.923 -17.275 -7.003 1.00 0.00 N ATOM 497 CA PRO A 32 -1.941 -16.287 -5.920 1.00 0.00 C ATOM 498 C PRO A 32 -1.369 -16.841 -4.619 1.00 0.00 C ATOM 499 O PRO A 32 -1.305 -16.138 -3.610 1.00 0.00 O ATOM 500 CB PRO A 32 -3.429 -15.967 -5.757 1.00 0.00 C ATOM 501 CG PRO A 32 -4.134 -17.180 -6.257 1.00 0.00 C ATOM 502 CD PRO A 32 -3.276 -17.733 -7.361 1.00 0.00 C ATOM 0 HA PRO A 32 -1.327 -15.417 -6.152 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.679 -15.765 -4.715 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.709 -15.082 -6.329 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.264 -17.912 -5.460 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.129 -16.929 -6.625 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.333 -18.821 -7.408 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.583 -17.355 -8.336 1.00 0.00 H new ATOM 510 N SER A 33 -0.954 -18.102 -4.651 1.00 0.00 N ATOM 511 CA SER A 33 -0.391 -18.751 -3.473 1.00 0.00 C ATOM 512 C SER A 33 1.033 -18.266 -3.214 1.00 0.00 C ATOM 513 O SER A 33 1.409 -17.992 -2.075 1.00 0.00 O ATOM 514 CB SER A 33 -0.400 -20.271 -3.648 1.00 0.00 C ATOM 515 OG SER A 33 0.496 -20.672 -4.669 1.00 0.00 O ATOM 0 H SER A 33 -0.997 -18.695 -5.480 1.00 0.00 H new ATOM 0 HA SER A 33 -1.008 -18.488 -2.614 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.124 -20.750 -2.709 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.408 -20.606 -3.892 1.00 0.00 H new ATOM 0 HG SER A 33 0.473 -21.647 -4.760 1.00 0.00 H new ATOM 521 N GLU A 34 1.820 -18.164 -4.281 1.00 0.00 N ATOM 522 CA GLU A 34 3.202 -17.714 -4.170 1.00 0.00 C ATOM 523 C GLU A 34 3.273 -16.192 -4.082 1.00 0.00 C ATOM 524 O GLU A 34 4.336 -15.622 -3.834 1.00 0.00 O ATOM 525 CB GLU A 34 4.020 -18.206 -5.366 1.00 0.00 C ATOM 526 CG GLU A 34 3.473 -17.745 -6.707 1.00 0.00 C ATOM 527 CD GLU A 34 4.062 -16.421 -7.154 1.00 0.00 C ATOM 528 OE1 GLU A 34 4.839 -15.827 -6.378 1.00 0.00 O ATOM 529 OE2 GLU A 34 3.747 -15.980 -8.279 1.00 0.00 O ATOM 0 H GLU A 34 1.524 -18.387 -5.231 1.00 0.00 H new ATOM 0 HA GLU A 34 3.621 -18.133 -3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.047 -17.856 -5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.051 -19.295 -5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.682 -18.504 -7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.389 -17.652 -6.640 1.00 0.00 H new ATOM 536 N LEU A 35 2.133 -15.541 -4.288 1.00 0.00 N ATOM 537 CA LEU A 35 2.065 -14.084 -4.232 1.00 0.00 C ATOM 538 C LEU A 35 1.744 -13.608 -2.819 1.00 0.00 C ATOM 539 O LEU A 35 2.251 -12.579 -2.370 1.00 0.00 O ATOM 540 CB LEU A 35 1.008 -13.566 -5.209 1.00 0.00 C ATOM 541 CG LEU A 35 1.363 -13.659 -6.693 1.00 0.00 C ATOM 542 CD1 LEU A 35 0.108 -13.584 -7.549 1.00 0.00 C ATOM 543 CD2 LEU A 35 2.339 -12.557 -7.078 1.00 0.00 C ATOM 0 H LEU A 35 1.245 -15.998 -4.495 1.00 0.00 H new ATOM 0 HA LEU A 35 3.040 -13.688 -4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.085 -14.120 -5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.801 -12.523 -4.970 1.00 0.00 H new ATOM 0 HG LEU A 35 1.843 -14.621 -6.872 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.381 -13.652 -8.602 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.557 -14.409 -7.293 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.401 -12.638 -7.366 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.581 -12.639 -8.138 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.886 -11.585 -6.883 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.251 -12.657 -6.489 1.00 0.00 H new ATOM 555 N TYR A 36 0.902 -14.362 -2.123 1.00 0.00 N ATOM 556 CA TYR A 36 0.514 -14.017 -0.760 1.00 0.00 C ATOM 557 C TYR A 36 1.737 -13.667 0.083 1.00 0.00 C ATOM 558 O TYR A 36 1.642 -12.916 1.054 1.00 0.00 O ATOM 559 CB TYR A 36 -0.250 -15.175 -0.116 1.00 0.00 C ATOM 560 CG TYR A 36 -1.493 -15.577 -0.876 1.00 0.00 C ATOM 561 CD1 TYR A 36 -2.332 -14.621 -1.434 1.00 0.00 C ATOM 562 CD2 TYR A 36 -1.828 -16.917 -1.039 1.00 0.00 C ATOM 563 CE1 TYR A 36 -3.469 -14.984 -2.129 1.00 0.00 C ATOM 564 CE2 TYR A 36 -2.961 -17.290 -1.734 1.00 0.00 C ATOM 565 CZ TYR A 36 -3.780 -16.320 -2.276 1.00 0.00 C ATOM 566 OH TYR A 36 -4.910 -16.687 -2.968 1.00 0.00 O ATOM 0 H TYR A 36 0.474 -15.217 -2.480 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.136 -13.143 -0.805 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.412 -16.037 -0.037 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.530 -14.894 0.899 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.091 -13.574 -1.322 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.191 -17.679 -0.615 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.111 -14.227 -2.555 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.205 -18.335 -1.853 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.983 -17.664 -2.981 1.00 0.00 H new ATOM 576 N LEU A 37 2.885 -14.218 -0.296 1.00 0.00 N ATOM 577 CA LEU A 37 4.128 -13.966 0.423 1.00 0.00 C ATOM 578 C LEU A 37 4.850 -12.749 -0.148 1.00 0.00 C ATOM 579 O LEU A 37 5.283 -11.866 0.593 1.00 0.00 O ATOM 580 CB LEU A 37 5.039 -15.192 0.353 1.00 0.00 C ATOM 581 CG LEU A 37 4.867 -16.221 1.470 1.00 0.00 C ATOM 582 CD1 LEU A 37 4.946 -15.549 2.832 1.00 0.00 C ATOM 583 CD2 LEU A 37 3.545 -16.960 1.315 1.00 0.00 C ATOM 0 H LEU A 37 2.980 -14.842 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 37 3.881 -13.764 1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.871 -15.690 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.074 -14.851 0.357 1.00 0.00 H new ATOM 0 HG LEU A 37 5.678 -16.946 1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.821 -16.297 3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.917 -15.066 2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.157 -14.802 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.439 -17.689 2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.722 -16.247 1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.526 -17.474 0.354 1.00 0.00 H new ATOM 595 N SER A 38 4.975 -12.707 -1.471 1.00 0.00 N ATOM 596 CA SER A 38 5.645 -11.599 -2.141 1.00 0.00 C ATOM 597 C SER A 38 4.774 -10.346 -2.123 1.00 0.00 C ATOM 598 O SER A 38 5.167 -9.311 -1.585 1.00 0.00 O ATOM 599 CB SER A 38 5.983 -11.978 -3.584 1.00 0.00 C ATOM 600 OG SER A 38 7.245 -12.619 -3.661 1.00 0.00 O ATOM 0 H SER A 38 4.621 -13.428 -2.100 1.00 0.00 H new ATOM 0 HA SER A 38 6.568 -11.386 -1.603 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.211 -12.638 -3.980 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.987 -11.083 -4.207 1.00 0.00 H new ATOM 0 HG SER A 38 7.437 -12.853 -4.593 1.00 0.00 H new ATOM 606 N SER A 39 3.589 -10.448 -2.716 1.00 0.00 N ATOM 607 CA SER A 39 2.662 -9.324 -2.773 1.00 0.00 C ATOM 608 C SER A 39 2.715 -8.512 -1.482 1.00 0.00 C ATOM 609 O SER A 39 2.660 -7.281 -1.506 1.00 0.00 O ATOM 610 CB SER A 39 1.237 -9.822 -3.018 1.00 0.00 C ATOM 611 OG SER A 39 0.789 -10.634 -1.947 1.00 0.00 O ATOM 0 H SER A 39 3.248 -11.298 -3.164 1.00 0.00 H new ATOM 0 HA SER A 39 2.960 -8.680 -3.600 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.567 -8.971 -3.138 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.202 -10.389 -3.948 1.00 0.00 H new ATOM 0 HG SER A 39 1.462 -11.319 -1.752 1.00 0.00 H new ATOM 617 N LYS A 40 2.821 -9.208 -0.356 1.00 0.00 N ATOM 618 CA LYS A 40 2.883 -8.555 0.946 1.00 0.00 C ATOM 619 C LYS A 40 4.251 -7.921 1.172 1.00 0.00 C ATOM 620 O LYS A 40 4.376 -6.697 1.240 1.00 0.00 O ATOM 621 CB LYS A 40 2.586 -9.562 2.060 1.00 0.00 C ATOM 622 CG LYS A 40 1.974 -8.934 3.300 1.00 0.00 C ATOM 623 CD LYS A 40 1.419 -9.988 4.243 1.00 0.00 C ATOM 624 CE LYS A 40 2.470 -10.456 5.237 1.00 0.00 C ATOM 625 NZ LYS A 40 1.867 -11.217 6.366 1.00 0.00 N ATOM 0 H LYS A 40 2.866 -10.226 -0.319 1.00 0.00 H new ATOM 0 HA LYS A 40 2.129 -7.768 0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.908 -10.325 1.677 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.511 -10.067 2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.728 -8.341 3.818 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.177 -8.251 3.007 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.563 -9.581 4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.058 -10.839 3.666 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.200 -11.083 4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.010 -9.593 5.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.616 -11.518 7.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.189 -10.611 6.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.374 -12.054 5.996 1.00 0.00 H new ATOM 639 N THR A 41 5.276 -8.759 1.287 1.00 0.00 N ATOM 640 CA THR A 41 6.635 -8.280 1.505 1.00 0.00 C ATOM 641 C THR A 41 6.878 -6.963 0.776 1.00 0.00 C ATOM 642 O THR A 41 7.398 -6.010 1.355 1.00 0.00 O ATOM 643 CB THR A 41 7.676 -9.313 1.037 1.00 0.00 C ATOM 644 OG1 THR A 41 7.379 -10.597 1.595 1.00 0.00 O ATOM 645 CG2 THR A 41 9.080 -8.890 1.446 1.00 0.00 C ATOM 0 H THR A 41 5.191 -9.774 1.233 1.00 0.00 H new ATOM 0 HA THR A 41 6.747 -8.123 2.578 1.00 0.00 H new ATOM 0 HB THR A 41 7.632 -9.371 -0.051 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.804 -11.097 0.978 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.798 -9.635 1.105 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.315 -7.926 0.995 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.133 -8.806 2.531 1.00 0.00 H new ATOM 653 N GLU A 42 6.497 -6.919 -0.497 1.00 0.00 N ATOM 654 CA GLU A 42 6.674 -5.718 -1.304 1.00 0.00 C ATOM 655 C GLU A 42 5.842 -4.563 -0.753 1.00 0.00 C ATOM 656 O GLU A 42 6.384 -3.549 -0.311 1.00 0.00 O ATOM 657 CB GLU A 42 6.285 -5.992 -2.759 1.00 0.00 C ATOM 658 CG GLU A 42 6.704 -4.891 -3.719 1.00 0.00 C ATOM 659 CD GLU A 42 8.186 -4.580 -3.638 1.00 0.00 C ATOM 660 OE1 GLU A 42 8.992 -5.533 -3.640 1.00 0.00 O ATOM 661 OE2 GLU A 42 8.538 -3.383 -3.572 1.00 0.00 O ATOM 0 H GLU A 42 6.065 -7.700 -0.991 1.00 0.00 H new ATOM 0 HA GLU A 42 7.726 -5.437 -1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.738 -6.931 -3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.205 -6.123 -2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.454 -5.187 -4.738 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.134 -3.988 -3.501 1.00 0.00 H new ATOM 668 N LEU A 43 4.524 -4.725 -0.784 1.00 0.00 N ATOM 669 CA LEU A 43 3.615 -3.697 -0.287 1.00 0.00 C ATOM 670 C LEU A 43 4.207 -2.988 0.927 1.00 0.00 C ATOM 671 O LEU A 43 4.387 -1.770 0.920 1.00 0.00 O ATOM 672 CB LEU A 43 2.264 -4.314 0.076 1.00 0.00 C ATOM 673 CG LEU A 43 1.340 -4.643 -1.096 1.00 0.00 C ATOM 674 CD1 LEU A 43 0.365 -5.747 -0.715 1.00 0.00 C ATOM 675 CD2 LEU A 43 0.588 -3.399 -1.547 1.00 0.00 C ATOM 0 H LEU A 43 4.061 -5.558 -1.148 1.00 0.00 H new ATOM 0 HA LEU A 43 3.470 -2.962 -1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.445 -5.230 0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.742 -3.628 0.743 1.00 0.00 H new ATOM 0 HG LEU A 43 1.951 -4.997 -1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.284 -5.967 -1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.920 -6.644 -0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.240 -5.422 0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.065 -3.652 -2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.011 -3.016 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.301 -2.637 -1.862 1.00 0.00 H new ATOM 687 N GLN A 44 4.508 -3.758 1.968 1.00 0.00 N ATOM 688 CA GLN A 44 5.080 -3.203 3.189 1.00 0.00 C ATOM 689 C GLN A 44 6.010 -2.038 2.872 1.00 0.00 C ATOM 690 O GLN A 44 5.725 -0.891 3.219 1.00 0.00 O ATOM 691 CB GLN A 44 5.842 -4.285 3.957 1.00 0.00 C ATOM 692 CG GLN A 44 4.939 -5.224 4.741 1.00 0.00 C ATOM 693 CD GLN A 44 4.273 -6.263 3.861 1.00 0.00 C ATOM 694 OE1 GLN A 44 4.794 -7.364 3.678 1.00 0.00 O ATOM 695 NE2 GLN A 44 3.114 -5.918 3.311 1.00 0.00 N ATOM 0 H GLN A 44 4.365 -4.768 1.990 1.00 0.00 H new ATOM 0 HA GLN A 44 4.263 -2.834 3.809 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.436 -4.868 3.253 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.540 -3.808 4.644 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.525 -5.727 5.511 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.173 -4.642 5.253 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.719 -4.995 3.490 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.619 -6.576 2.710 1.00 0.00 H new ATOM 704 N GLY A 45 7.125 -2.337 2.212 1.00 0.00 N ATOM 705 CA GLY A 45 8.080 -1.303 1.862 1.00 0.00 C ATOM 706 C GLY A 45 7.410 0.010 1.507 1.00 0.00 C ATOM 707 O GLY A 45 7.656 1.033 2.147 1.00 0.00 O ATOM 0 H GLY A 45 7.383 -3.278 1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.762 -1.145 2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.682 -1.640 1.018 1.00 0.00 H new ATOM 711 N LEU A 46 6.562 -0.018 0.485 1.00 0.00 N ATOM 712 CA LEU A 46 5.855 1.179 0.045 1.00 0.00 C ATOM 713 C LEU A 46 5.428 2.029 1.238 1.00 0.00 C ATOM 714 O LEU A 46 5.824 3.188 1.361 1.00 0.00 O ATOM 715 CB LEU A 46 4.630 0.795 -0.786 1.00 0.00 C ATOM 716 CG LEU A 46 4.911 0.045 -2.089 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.663 -0.681 -2.566 1.00 0.00 C ATOM 718 CD2 LEU A 46 5.417 1.002 -3.157 1.00 0.00 C ATOM 0 H LEU A 46 6.347 -0.857 -0.054 1.00 0.00 H new ATOM 0 HA LEU A 46 6.535 1.767 -0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.976 0.179 -0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.079 1.704 -1.025 1.00 0.00 H new ATOM 0 HG LEU A 46 5.687 -0.697 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.882 -1.209 -3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.346 -1.397 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.865 0.042 -2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.612 0.451 -4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.665 1.768 -3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.338 1.474 -2.815 1.00 0.00 H new ATOM 730 N ILE A 47 4.619 1.443 2.115 1.00 0.00 N ATOM 731 CA ILE A 47 4.142 2.146 3.300 1.00 0.00 C ATOM 732 C ILE A 47 5.265 2.935 3.962 1.00 0.00 C ATOM 733 O ILE A 47 5.107 4.114 4.279 1.00 0.00 O ATOM 734 CB ILE A 47 3.541 1.170 4.329 1.00 0.00 C ATOM 735 CG1 ILE A 47 2.373 0.399 3.711 1.00 0.00 C ATOM 736 CG2 ILE A 47 3.088 1.922 5.571 1.00 0.00 C ATOM 737 CD1 ILE A 47 1.573 -0.396 4.719 1.00 0.00 C ATOM 0 H ILE A 47 4.281 0.485 2.027 1.00 0.00 H new ATOM 0 HA ILE A 47 3.366 2.835 2.966 1.00 0.00 H new ATOM 0 HB ILE A 47 4.310 0.455 4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.710 1.102 3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.758 -0.279 2.949 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.666 1.218 6.288 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.941 2.430 6.020 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.332 2.657 5.296 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.762 -0.917 4.210 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.222 -1.124 5.206 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.158 0.279 5.468 1.00 0.00 H new ATOM 749 N GLY A 48 6.404 2.278 4.164 1.00 0.00 N ATOM 750 CA GLY A 48 7.539 2.935 4.785 1.00 0.00 C ATOM 751 C GLY A 48 7.757 4.339 4.257 1.00 0.00 C ATOM 752 O GLY A 48 8.055 5.256 5.022 1.00 0.00 O ATOM 0 H GLY A 48 6.560 1.303 3.909 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.386 2.976 5.863 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.437 2.342 4.613 1.00 0.00 H new ATOM 756 N GLN A 49 7.608 4.507 2.947 1.00 0.00 N ATOM 757 CA GLN A 49 7.793 5.810 2.319 1.00 0.00 C ATOM 758 C GLN A 49 6.875 6.853 2.949 1.00 0.00 C ATOM 759 O GLN A 49 7.287 7.985 3.202 1.00 0.00 O ATOM 760 CB GLN A 49 7.523 5.717 0.816 1.00 0.00 C ATOM 761 CG GLN A 49 8.529 4.857 0.069 1.00 0.00 C ATOM 762 CD GLN A 49 8.408 4.992 -1.436 1.00 0.00 C ATOM 763 OE1 GLN A 49 9.246 5.619 -2.084 1.00 0.00 O ATOM 764 NE2 GLN A 49 7.363 4.401 -2.002 1.00 0.00 N ATOM 0 H GLN A 49 7.360 3.758 2.301 1.00 0.00 H new ATOM 0 HA GLN A 49 8.826 6.119 2.477 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.524 5.311 0.659 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.530 6.721 0.391 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.537 5.135 0.375 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.388 3.813 0.349 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.692 3.891 -1.427 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.231 4.457 -3.012 1.00 0.00 H new ATOM 773 N LEU A 50 5.630 6.465 3.200 1.00 0.00 N ATOM 774 CA LEU A 50 4.653 7.367 3.800 1.00 0.00 C ATOM 775 C LEU A 50 5.197 7.978 5.089 1.00 0.00 C ATOM 776 O LEU A 50 5.227 9.199 5.243 1.00 0.00 O ATOM 777 CB LEU A 50 3.350 6.620 4.087 1.00 0.00 C ATOM 778 CG LEU A 50 2.524 6.216 2.865 1.00 0.00 C ATOM 779 CD1 LEU A 50 1.450 5.212 3.255 1.00 0.00 C ATOM 780 CD2 LEU A 50 1.901 7.441 2.213 1.00 0.00 C ATOM 0 H LEU A 50 5.273 5.531 2.997 1.00 0.00 H new ATOM 0 HA LEU A 50 4.455 8.172 3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.588 5.720 4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.730 7.246 4.729 1.00 0.00 H new ATOM 0 HG LEU A 50 3.188 5.743 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.872 4.936 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.919 4.322 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.788 5.657 3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.317 7.134 1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.250 7.943 2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.689 8.125 1.897 1.00 0.00 H new ATOM 792 N ASP A 51 5.626 7.121 6.009 1.00 0.00 N ATOM 793 CA ASP A 51 6.171 7.577 7.282 1.00 0.00 C ATOM 794 C ASP A 51 6.979 8.859 7.099 1.00 0.00 C ATOM 795 O ASP A 51 6.707 9.871 7.744 1.00 0.00 O ATOM 796 CB ASP A 51 7.050 6.490 7.903 1.00 0.00 C ATOM 797 CG ASP A 51 6.259 5.534 8.774 1.00 0.00 C ATOM 798 OD1 ASP A 51 5.597 6.005 9.722 1.00 0.00 O ATOM 799 OD2 ASP A 51 6.302 4.315 8.507 1.00 0.00 O ATOM 0 H ASP A 51 5.607 6.107 5.897 1.00 0.00 H new ATOM 0 HA ASP A 51 5.337 7.787 7.952 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.545 5.930 7.110 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.833 6.957 8.500 1.00 0.00 H new ATOM 804 N GLU A 52 7.973 8.806 6.218 1.00 0.00 N ATOM 805 CA GLU A 52 8.821 9.962 5.953 1.00 0.00 C ATOM 806 C GLU A 52 8.002 11.249 5.956 1.00 0.00 C ATOM 807 O GLU A 52 8.163 12.099 6.832 1.00 0.00 O ATOM 808 CB GLU A 52 9.534 9.802 4.610 1.00 0.00 C ATOM 809 CG GLU A 52 10.645 8.766 4.631 1.00 0.00 C ATOM 810 CD GLU A 52 11.743 9.106 5.620 1.00 0.00 C ATOM 811 OE1 GLU A 52 12.396 10.156 5.443 1.00 0.00 O ATOM 812 OE2 GLU A 52 11.948 8.324 6.572 1.00 0.00 O ATOM 0 H GLU A 52 8.211 7.975 5.676 1.00 0.00 H new ATOM 0 HA GLU A 52 9.566 10.024 6.746 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.803 9.523 3.851 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.951 10.764 4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.224 7.793 4.882 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.075 8.679 3.633 1.00 0.00 H new ATOM 819 N VAL A 53 7.122 11.386 4.970 1.00 0.00 N ATOM 820 CA VAL A 53 6.276 12.568 4.858 1.00 0.00 C ATOM 821 C VAL A 53 5.750 13.000 6.222 1.00 0.00 C ATOM 822 O VAL A 53 5.184 12.195 6.962 1.00 0.00 O ATOM 823 CB VAL A 53 5.083 12.319 3.915 1.00 0.00 C ATOM 824 CG1 VAL A 53 4.262 13.587 3.745 1.00 0.00 C ATOM 825 CG2 VAL A 53 5.568 11.803 2.568 1.00 0.00 C ATOM 0 H VAL A 53 6.976 10.692 4.236 1.00 0.00 H new ATOM 0 HA VAL A 53 6.897 13.362 4.444 1.00 0.00 H new ATOM 0 HB VAL A 53 4.442 11.558 4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.424 13.391 3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.884 13.908 4.715 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.889 14.372 3.322 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.713 11.632 1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.231 12.539 2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.108 10.867 2.710 1.00 0.00 H new ATOM 835 N SER A 54 5.940 14.273 6.548 1.00 0.00 N ATOM 836 CA SER A 54 5.488 14.812 7.825 1.00 0.00 C ATOM 837 C SER A 54 4.160 15.546 7.666 1.00 0.00 C ATOM 838 O SER A 54 3.833 16.035 6.583 1.00 0.00 O ATOM 839 CB SER A 54 6.541 15.757 8.406 1.00 0.00 C ATOM 840 OG SER A 54 6.386 15.892 9.808 1.00 0.00 O ATOM 0 H SER A 54 6.405 14.952 5.945 1.00 0.00 H new ATOM 0 HA SER A 54 5.342 13.978 8.511 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.538 15.378 8.182 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.458 16.735 7.932 1.00 0.00 H new ATOM 0 HG SER A 54 7.072 16.500 10.156 1.00 0.00 H new ATOM 846 N LEU A 55 3.398 15.622 8.752 1.00 0.00 N ATOM 847 CA LEU A 55 2.106 16.297 8.735 1.00 0.00 C ATOM 848 C LEU A 55 2.276 17.792 8.487 1.00 0.00 C ATOM 849 O LEU A 55 2.599 18.549 9.401 1.00 0.00 O ATOM 850 CB LEU A 55 1.371 16.068 10.056 1.00 0.00 C ATOM 851 CG LEU A 55 1.246 14.614 10.512 1.00 0.00 C ATOM 852 CD1 LEU A 55 1.049 14.541 12.018 1.00 0.00 C ATOM 853 CD2 LEU A 55 0.099 13.925 9.788 1.00 0.00 C ATOM 0 H LEU A 55 3.653 15.224 9.656 1.00 0.00 H new ATOM 0 HA LEU A 55 1.515 15.877 7.921 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.885 16.630 10.836 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.369 16.488 9.968 1.00 0.00 H new ATOM 0 HG LEU A 55 2.171 14.095 10.262 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.962 13.498 12.323 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.903 14.996 12.519 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.140 15.076 12.292 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.025 12.891 10.125 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.834 14.445 10.006 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.283 13.944 8.714 1.00 0.00 H new ATOM 865 N GLU A 56 2.053 18.210 7.244 1.00 0.00 N ATOM 866 CA GLU A 56 2.180 19.615 6.877 1.00 0.00 C ATOM 867 C GLU A 56 1.101 20.455 7.554 1.00 0.00 C ATOM 868 O GLU A 56 0.276 19.936 8.307 1.00 0.00 O ATOM 869 CB GLU A 56 2.092 19.779 5.359 1.00 0.00 C ATOM 870 CG GLU A 56 3.430 19.649 4.652 1.00 0.00 C ATOM 871 CD GLU A 56 4.493 20.555 5.245 1.00 0.00 C ATOM 872 OE1 GLU A 56 4.244 21.774 5.346 1.00 0.00 O ATOM 873 OE2 GLU A 56 5.573 20.044 5.608 1.00 0.00 O ATOM 0 H GLU A 56 1.784 17.596 6.476 1.00 0.00 H new ATOM 0 HA GLU A 56 3.155 19.965 7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.407 19.031 4.961 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.665 20.756 5.132 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.767 18.614 4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.303 19.886 3.596 1.00 0.00 H new ATOM 880 N LYS A 57 1.113 21.756 7.282 1.00 0.00 N ATOM 881 CA LYS A 57 0.136 22.669 7.863 1.00 0.00 C ATOM 882 C LYS A 57 -1.127 22.728 7.011 1.00 0.00 C ATOM 883 O LYS A 57 -1.738 23.785 6.863 1.00 0.00 O ATOM 884 CB LYS A 57 0.736 24.069 8.002 1.00 0.00 C ATOM 885 CG LYS A 57 1.780 24.178 9.100 1.00 0.00 C ATOM 886 CD LYS A 57 1.137 24.361 10.464 1.00 0.00 C ATOM 887 CE LYS A 57 0.669 25.792 10.674 1.00 0.00 C ATOM 888 NZ LYS A 57 0.157 26.013 12.055 1.00 0.00 N ATOM 0 H LYS A 57 1.789 22.202 6.662 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.131 22.295 8.851 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.188 24.357 7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.065 24.780 8.202 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.398 23.280 9.106 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.441 25.019 8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.290 23.682 10.562 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.851 24.093 11.243 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.495 26.476 10.479 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.115 26.027 9.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.152 27.001 12.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.648 25.378 12.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.913 25.814 12.741 1.00 0.00 H new ATOM 902 N ASN A 58 -1.513 21.584 6.453 1.00 0.00 N ATOM 903 CA ASN A 58 -2.705 21.506 5.617 1.00 0.00 C ATOM 904 C ASN A 58 -3.391 20.151 5.771 1.00 0.00 C ATOM 905 O ASN A 58 -2.745 19.119 5.949 1.00 0.00 O ATOM 906 CB ASN A 58 -2.340 21.742 4.149 1.00 0.00 C ATOM 907 CG ASN A 58 -1.882 23.164 3.889 1.00 0.00 C ATOM 908 OD1 ASN A 58 -0.704 23.486 4.045 1.00 0.00 O ATOM 909 ND2 ASN A 58 -2.813 24.022 3.490 1.00 0.00 N ATOM 0 H ASN A 58 -1.018 20.699 6.565 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.398 22.282 5.942 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.550 21.050 3.858 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.204 21.521 3.522 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.564 24.993 3.299 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.777 23.711 3.374 1.00 0.00 H new ATOM 916 N PRO A 59 -4.730 20.155 5.700 1.00 0.00 N ATOM 917 CA PRO A 59 -5.532 18.935 5.827 1.00 0.00 C ATOM 918 C PRO A 59 -5.373 18.008 4.626 1.00 0.00 C ATOM 919 O PRO A 59 -5.993 16.946 4.563 1.00 0.00 O ATOM 920 CB PRO A 59 -6.968 19.461 5.910 1.00 0.00 C ATOM 921 CG PRO A 59 -6.928 20.778 5.216 1.00 0.00 C ATOM 922 CD PRO A 59 -5.564 21.349 5.489 1.00 0.00 C ATOM 0 HA PRO A 59 -5.231 18.338 6.688 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.668 18.780 5.427 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.291 19.568 6.945 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -7.094 20.660 4.145 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.710 21.440 5.589 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.204 21.948 4.652 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.568 21.997 6.366 1.00 0.00 H new ATOM 930 N CYS A 60 -4.539 18.416 3.677 1.00 0.00 N ATOM 931 CA CYS A 60 -4.298 17.622 2.478 1.00 0.00 C ATOM 932 C CYS A 60 -3.304 16.500 2.759 1.00 0.00 C ATOM 933 O CYS A 60 -3.626 15.320 2.612 1.00 0.00 O ATOM 934 CB CYS A 60 -3.776 18.510 1.348 1.00 0.00 C ATOM 935 SG CYS A 60 -5.064 19.446 0.491 1.00 0.00 S ATOM 0 H CYS A 60 -4.018 19.292 3.714 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.245 17.177 2.172 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.045 19.208 1.757 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.251 17.887 0.624 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.525 20.169 -0.446 1.00 0.00 H new ATOM 941 N ILE A 61 -2.094 16.875 3.161 1.00 0.00 N ATOM 942 CA ILE A 61 -1.053 15.900 3.462 1.00 0.00 C ATOM 943 C ILE A 61 -1.372 15.131 4.740 1.00 0.00 C ATOM 944 O ILE A 61 -1.042 13.952 4.866 1.00 0.00 O ATOM 945 CB ILE A 61 0.323 16.575 3.613 1.00 0.00 C ATOM 946 CG1 ILE A 61 0.814 17.088 2.258 1.00 0.00 C ATOM 947 CG2 ILE A 61 1.327 15.603 4.214 1.00 0.00 C ATOM 948 CD1 ILE A 61 0.381 18.506 1.954 1.00 0.00 C ATOM 0 H ILE A 61 -1.811 17.847 3.286 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.019 15.206 2.622 1.00 0.00 H new ATOM 0 HB ILE A 61 0.223 17.425 4.288 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.902 17.036 2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.444 16.428 1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.294 16.095 4.314 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.980 15.282 5.196 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.427 14.735 3.563 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.765 18.802 0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.708 18.560 1.947 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.773 19.178 2.718 1.00 0.00 H new ATOM 960 N ARG A 62 -2.018 15.807 5.685 1.00 0.00 N ATOM 961 CA ARG A 62 -2.383 15.187 6.954 1.00 0.00 C ATOM 962 C ARG A 62 -3.315 13.999 6.729 1.00 0.00 C ATOM 963 O ARG A 62 -3.239 12.998 7.440 1.00 0.00 O ATOM 964 CB ARG A 62 -3.055 16.210 7.871 1.00 0.00 C ATOM 965 CG ARG A 62 -3.697 15.594 9.103 1.00 0.00 C ATOM 966 CD ARG A 62 -4.469 16.629 9.905 1.00 0.00 C ATOM 967 NE ARG A 62 -4.714 16.189 11.276 1.00 0.00 N ATOM 968 CZ ARG A 62 -3.788 16.200 12.228 1.00 0.00 C ATOM 969 NH1 ARG A 62 -2.562 16.628 11.960 1.00 0.00 N ATOM 970 NH2 ARG A 62 -4.088 15.784 13.452 1.00 0.00 N ATOM 0 H ARG A 62 -2.299 16.783 5.596 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.471 14.827 7.430 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.314 16.944 8.187 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.816 16.748 7.305 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.369 14.791 8.801 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.927 15.146 9.731 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.912 17.566 9.919 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.421 16.832 9.414 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.648 15.855 11.515 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.328 16.950 11.021 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.853 16.635 12.693 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.030 15.455 13.662 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.376 15.793 14.182 1.00 0.00 H new ATOM 984 N GLU A 63 -4.192 14.120 5.739 1.00 0.00 N ATOM 985 CA GLU A 63 -5.139 13.057 5.423 1.00 0.00 C ATOM 986 C GLU A 63 -4.514 12.036 4.477 1.00 0.00 C ATOM 987 O GLU A 63 -4.299 10.882 4.847 1.00 0.00 O ATOM 988 CB GLU A 63 -6.407 13.642 4.796 1.00 0.00 C ATOM 989 CG GLU A 63 -7.627 12.752 4.951 1.00 0.00 C ATOM 990 CD GLU A 63 -8.334 12.955 6.277 1.00 0.00 C ATOM 991 OE1 GLU A 63 -7.804 12.492 7.309 1.00 0.00 O ATOM 992 OE2 GLU A 63 -9.417 13.577 6.284 1.00 0.00 O ATOM 0 H GLU A 63 -4.267 14.943 5.141 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.403 12.552 6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.614 14.611 5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.229 13.820 3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.324 12.953 4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.325 11.709 4.861 1.00 0.00 H new ATOM 999 N ALA A 64 -4.227 12.470 3.254 1.00 0.00 N ATOM 1000 CA ALA A 64 -3.626 11.595 2.255 1.00 0.00 C ATOM 1001 C ALA A 64 -2.652 10.614 2.899 1.00 0.00 C ATOM 1002 O ALA A 64 -2.718 9.409 2.654 1.00 0.00 O ATOM 1003 CB ALA A 64 -2.921 12.418 1.188 1.00 0.00 C ATOM 0 H ALA A 64 -4.401 13.422 2.931 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.424 11.019 1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.477 11.751 0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.642 13.074 0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.139 13.020 1.650 1.00 0.00 H new ATOM 1009 N ARG A 65 -1.749 11.137 3.721 1.00 0.00 N ATOM 1010 CA ARG A 65 -0.761 10.307 4.398 1.00 0.00 C ATOM 1011 C ARG A 65 -1.435 9.166 5.155 1.00 0.00 C ATOM 1012 O ARG A 65 -1.092 7.998 4.973 1.00 0.00 O ATOM 1013 CB ARG A 65 0.070 11.152 5.364 1.00 0.00 C ATOM 1014 CG ARG A 65 1.337 10.461 5.844 1.00 0.00 C ATOM 1015 CD ARG A 65 2.354 11.463 6.367 1.00 0.00 C ATOM 1016 NE ARG A 65 2.180 11.727 7.793 1.00 0.00 N ATOM 1017 CZ ARG A 65 2.577 10.894 8.748 1.00 0.00 C ATOM 1018 NH1 ARG A 65 3.168 9.751 8.432 1.00 0.00 N ATOM 1019 NH2 ARG A 65 2.383 11.205 10.023 1.00 0.00 N ATOM 0 H ARG A 65 -1.681 12.132 3.934 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.103 9.879 3.641 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.340 12.088 4.875 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.543 11.409 6.228 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.089 9.749 6.631 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.775 9.891 5.025 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.360 11.084 6.189 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.262 12.396 5.812 1.00 0.00 H new ATOM 0 HE ARG A 65 1.729 12.599 8.070 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.319 9.509 7.453 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.472 9.113 9.168 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.929 12.084 10.270 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.688 10.565 10.756 1.00 0.00 H new ATOM 1033 N ARG A 66 -2.396 9.513 6.006 1.00 0.00 N ATOM 1034 CA ARG A 66 -3.117 8.519 6.791 1.00 0.00 C ATOM 1035 C ARG A 66 -3.934 7.601 5.888 1.00 0.00 C ATOM 1036 O ARG A 66 -3.616 6.421 5.732 1.00 0.00 O ATOM 1037 CB ARG A 66 -4.035 9.206 7.803 1.00 0.00 C ATOM 1038 CG ARG A 66 -4.700 8.243 8.774 1.00 0.00 C ATOM 1039 CD ARG A 66 -5.257 8.973 9.987 1.00 0.00 C ATOM 1040 NE ARG A 66 -6.479 9.708 9.670 1.00 0.00 N ATOM 1041 CZ ARG A 66 -7.359 10.099 10.583 1.00 0.00 C ATOM 1042 NH1 ARG A 66 -7.155 9.826 11.865 1.00 0.00 N ATOM 1043 NH2 ARG A 66 -8.447 10.765 10.217 1.00 0.00 N ATOM 0 H ARG A 66 -2.693 10.475 6.169 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.385 7.915 7.327 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.456 9.937 8.368 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.807 9.757 7.265 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.505 7.711 8.267 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.977 7.494 9.098 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.462 8.254 10.780 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.507 9.665 10.370 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.666 9.933 8.693 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.320 9.314 12.151 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.833 10.128 12.565 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.608 10.977 9.232 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.122 11.065 10.920 1.00 0.00 H new ATOM 1057 N ARG A 67 -4.991 8.149 5.295 1.00 0.00 N ATOM 1058 CA ARG A 67 -5.855 7.379 4.408 1.00 0.00 C ATOM 1059 C ARG A 67 -5.045 6.361 3.610 1.00 0.00 C ATOM 1060 O ARG A 67 -5.483 5.230 3.404 1.00 0.00 O ATOM 1061 CB ARG A 67 -6.604 8.311 3.455 1.00 0.00 C ATOM 1062 CG ARG A 67 -5.878 8.551 2.141 1.00 0.00 C ATOM 1063 CD ARG A 67 -6.427 9.771 1.417 1.00 0.00 C ATOM 1064 NE ARG A 67 -5.692 10.053 0.187 1.00 0.00 N ATOM 1065 CZ ARG A 67 -5.963 11.079 -0.613 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -6.947 11.915 -0.312 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -5.250 11.270 -1.714 1.00 0.00 N ATOM 0 H ARG A 67 -5.269 9.123 5.413 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.578 6.842 5.022 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.587 7.889 3.245 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -6.767 9.268 3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.814 8.688 2.332 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.977 7.673 1.503 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.479 9.610 1.182 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.376 10.637 2.076 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.929 9.428 -0.072 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.497 11.771 0.535 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.154 12.702 -0.927 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.492 10.629 -1.948 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.459 12.058 -2.327 1.00 0.00 H new ATOM 1081 N ALA A 68 -3.863 6.773 3.162 1.00 0.00 N ATOM 1082 CA ALA A 68 -2.993 5.897 2.387 1.00 0.00 C ATOM 1083 C ALA A 68 -2.604 4.660 3.189 1.00 0.00 C ATOM 1084 O ALA A 68 -2.801 3.531 2.742 1.00 0.00 O ATOM 1085 CB ALA A 68 -1.750 6.651 1.939 1.00 0.00 C ATOM 0 H ALA A 68 -3.487 7.707 3.323 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.542 5.567 1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.109 5.985 1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.042 7.500 1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.207 7.009 2.813 1.00 0.00 H new ATOM 1091 N VAL A 69 -2.050 4.880 4.377 1.00 0.00 N ATOM 1092 CA VAL A 69 -1.634 3.783 5.243 1.00 0.00 C ATOM 1093 C VAL A 69 -2.689 2.685 5.283 1.00 0.00 C ATOM 1094 O VAL A 69 -2.386 1.511 5.070 1.00 0.00 O ATOM 1095 CB VAL A 69 -1.361 4.272 6.677 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -0.995 3.103 7.580 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -0.262 5.325 6.682 1.00 0.00 C ATOM 0 H VAL A 69 -1.879 5.809 4.762 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.712 3.381 4.824 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.271 4.729 7.065 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.806 3.468 8.589 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.818 2.388 7.601 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.099 2.614 7.197 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.083 5.659 7.704 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.654 4.897 6.274 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.569 6.174 6.071 1.00 0.00 H new ATOM 1107 N ILE A 70 -3.930 3.074 5.558 1.00 0.00 N ATOM 1108 CA ILE A 70 -5.031 2.122 5.625 1.00 0.00 C ATOM 1109 C ILE A 70 -5.305 1.500 4.259 1.00 0.00 C ATOM 1110 O ILE A 70 -5.396 0.280 4.129 1.00 0.00 O ATOM 1111 CB ILE A 70 -6.321 2.788 6.140 1.00 0.00 C ATOM 1112 CG1 ILE A 70 -6.111 3.326 7.558 1.00 0.00 C ATOM 1113 CG2 ILE A 70 -7.477 1.799 6.109 1.00 0.00 C ATOM 1114 CD1 ILE A 70 -7.044 4.461 7.917 1.00 0.00 C ATOM 0 H ILE A 70 -4.197 4.042 5.738 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.730 1.341 6.324 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.567 3.625 5.486 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.250 2.513 8.271 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.081 3.667 7.660 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.381 2.285 6.476 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.637 1.459 5.086 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.242 0.944 6.743 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.839 4.792 8.935 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.890 5.291 7.227 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.077 4.119 7.848 1.00 0.00 H new ATOM 1126 N GLU A 71 -5.433 2.349 3.244 1.00 0.00 N ATOM 1127 CA GLU A 71 -5.695 1.882 1.887 1.00 0.00 C ATOM 1128 C GLU A 71 -4.762 0.732 1.518 1.00 0.00 C ATOM 1129 O GLU A 71 -5.210 -0.339 1.109 1.00 0.00 O ATOM 1130 CB GLU A 71 -5.528 3.030 0.888 1.00 0.00 C ATOM 1131 CG GLU A 71 -6.771 3.891 0.739 1.00 0.00 C ATOM 1132 CD GLU A 71 -7.766 3.313 -0.249 1.00 0.00 C ATOM 1133 OE1 GLU A 71 -7.349 2.958 -1.371 1.00 0.00 O ATOM 1134 OE2 GLU A 71 -8.961 3.217 0.100 1.00 0.00 O ATOM 0 H GLU A 71 -5.360 3.362 3.335 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.723 1.521 1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.696 3.659 1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.263 2.618 -0.086 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.252 4.000 1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.480 4.890 0.414 1.00 0.00 H new ATOM 1141 N VAL A 72 -3.460 0.963 1.665 1.00 0.00 N ATOM 1142 CA VAL A 72 -2.464 -0.053 1.347 1.00 0.00 C ATOM 1143 C VAL A 72 -2.556 -1.232 2.309 1.00 0.00 C ATOM 1144 O VAL A 72 -2.402 -2.385 1.907 1.00 0.00 O ATOM 1145 CB VAL A 72 -1.037 0.527 1.398 1.00 0.00 C ATOM 1146 CG1 VAL A 72 -0.006 -0.576 1.214 1.00 0.00 C ATOM 1147 CG2 VAL A 72 -0.864 1.610 0.344 1.00 0.00 C ATOM 0 H VAL A 72 -3.072 1.844 2.002 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.673 -0.397 0.334 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.882 0.978 2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.996 -0.148 1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.116 -1.314 2.009 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.157 -1.058 0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.149 2.008 0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.039 1.186 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.579 2.413 0.526 1.00 0.00 H new ATOM 1157 N GLN A 73 -2.807 -0.935 3.579 1.00 0.00 N ATOM 1158 CA GLN A 73 -2.920 -1.972 4.598 1.00 0.00 C ATOM 1159 C GLN A 73 -4.089 -2.903 4.300 1.00 0.00 C ATOM 1160 O GLN A 73 -4.059 -4.087 4.640 1.00 0.00 O ATOM 1161 CB GLN A 73 -3.094 -1.341 5.981 1.00 0.00 C ATOM 1162 CG GLN A 73 -1.780 -1.063 6.693 1.00 0.00 C ATOM 1163 CD GLN A 73 -1.951 -0.902 8.191 1.00 0.00 C ATOM 1164 OE1 GLN A 73 -2.172 0.202 8.687 1.00 0.00 O ATOM 1165 NE2 GLN A 73 -1.850 -2.008 8.920 1.00 0.00 N ATOM 0 H GLN A 73 -2.936 0.015 3.928 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.001 -2.558 4.587 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.646 -0.407 5.878 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.700 -2.003 6.600 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.085 -1.879 6.496 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.333 -0.157 6.283 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.666 -2.903 8.466 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.957 -1.962 9.933 1.00 0.00 H new ATOM 1174 N THR A 74 -5.122 -2.363 3.661 1.00 0.00 N ATOM 1175 CA THR A 74 -6.304 -3.145 3.319 1.00 0.00 C ATOM 1176 C THR A 74 -5.919 -4.445 2.623 1.00 0.00 C ATOM 1177 O THR A 74 -6.659 -5.429 2.670 1.00 0.00 O ATOM 1178 CB THR A 74 -7.258 -2.351 2.406 1.00 0.00 C ATOM 1179 OG1 THR A 74 -7.469 -1.039 2.942 1.00 0.00 O ATOM 1180 CG2 THR A 74 -8.593 -3.067 2.265 1.00 0.00 C ATOM 0 H THR A 74 -5.164 -1.386 3.370 1.00 0.00 H new ATOM 0 HA THR A 74 -6.814 -3.373 4.255 1.00 0.00 H new ATOM 0 HB THR A 74 -6.800 -2.272 1.420 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.614 -0.668 3.245 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.250 -2.488 1.616 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.433 -4.054 1.831 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.054 -3.173 3.247 1.00 0.00 H new ATOM 1188 N LEU A 75 -4.757 -4.445 1.979 1.00 0.00 N ATOM 1189 CA LEU A 75 -4.273 -5.627 1.274 1.00 0.00 C ATOM 1190 C LEU A 75 -3.551 -6.572 2.228 1.00 0.00 C ATOM 1191 O LEU A 75 -3.825 -7.773 2.253 1.00 0.00 O ATOM 1192 CB LEU A 75 -3.336 -5.217 0.135 1.00 0.00 C ATOM 1193 CG LEU A 75 -4.012 -4.778 -1.164 1.00 0.00 C ATOM 1194 CD1 LEU A 75 -3.000 -4.129 -2.097 1.00 0.00 C ATOM 1195 CD2 LEU A 75 -4.684 -5.962 -1.843 1.00 0.00 C ATOM 0 H LEU A 75 -4.133 -3.640 1.930 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.134 -6.150 0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.705 -4.401 0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.677 -6.057 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.779 -4.042 -0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.498 -3.822 -3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.565 -3.256 -1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.211 -4.844 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.160 -5.630 -2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.937 -6.722 -2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.437 -6.383 -1.178 1.00 0.00 H new ATOM 1207 N ILE A 76 -2.628 -6.023 3.011 1.00 0.00 N ATOM 1208 CA ILE A 76 -1.870 -6.818 3.969 1.00 0.00 C ATOM 1209 C ILE A 76 -2.795 -7.665 4.835 1.00 0.00 C ATOM 1210 O ILE A 76 -2.455 -8.787 5.215 1.00 0.00 O ATOM 1211 CB ILE A 76 -1.005 -5.926 4.880 1.00 0.00 C ATOM 1212 CG1 ILE A 76 -0.052 -5.074 4.039 1.00 0.00 C ATOM 1213 CG2 ILE A 76 -0.227 -6.778 5.871 1.00 0.00 C ATOM 1214 CD1 ILE A 76 0.819 -4.151 4.863 1.00 0.00 C ATOM 0 H ILE A 76 -2.387 -5.032 3.001 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.219 -7.473 3.391 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.661 -5.259 5.440 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.586 -5.732 3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.634 -4.479 3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.379 -6.134 6.508 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.923 -7.346 6.488 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.421 -7.466 5.329 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.469 -3.578 4.202 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.189 -3.469 5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.428 -4.741 5.548 1.00 0.00 H new ATOM 1226 N THR A 77 -3.967 -7.122 5.147 1.00 0.00 N ATOM 1227 CA THR A 77 -4.943 -7.827 5.969 1.00 0.00 C ATOM 1228 C THR A 77 -5.714 -8.854 5.147 1.00 0.00 C ATOM 1229 O THR A 77 -5.959 -9.971 5.602 1.00 0.00 O ATOM 1230 CB THR A 77 -5.942 -6.851 6.618 1.00 0.00 C ATOM 1231 OG1 THR A 77 -5.243 -5.912 7.442 1.00 0.00 O ATOM 1232 CG2 THR A 77 -6.968 -7.603 7.454 1.00 0.00 C ATOM 0 H THR A 77 -4.264 -6.195 4.843 1.00 0.00 H new ATOM 0 HA THR A 77 -4.385 -8.338 6.754 1.00 0.00 H new ATOM 0 HB THR A 77 -6.465 -6.318 5.824 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.885 -5.294 7.850 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.663 -6.893 7.902 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.518 -8.296 6.818 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.459 -8.159 8.241 1.00 0.00 H new ATOM 1240 N TYR A 78 -6.093 -8.470 3.933 1.00 0.00 N ATOM 1241 CA TYR A 78 -6.839 -9.356 3.049 1.00 0.00 C ATOM 1242 C TYR A 78 -6.037 -10.617 2.740 1.00 0.00 C ATOM 1243 O TYR A 78 -6.597 -11.709 2.627 1.00 0.00 O ATOM 1244 CB TYR A 78 -7.193 -8.634 1.748 1.00 0.00 C ATOM 1245 CG TYR A 78 -7.586 -9.567 0.624 1.00 0.00 C ATOM 1246 CD1 TYR A 78 -8.855 -10.129 0.574 1.00 0.00 C ATOM 1247 CD2 TYR A 78 -6.687 -9.884 -0.386 1.00 0.00 C ATOM 1248 CE1 TYR A 78 -9.218 -10.982 -0.451 1.00 0.00 C ATOM 1249 CE2 TYR A 78 -7.042 -10.736 -1.415 1.00 0.00 C ATOM 1250 CZ TYR A 78 -8.308 -11.282 -1.443 1.00 0.00 C ATOM 1251 OH TYR A 78 -8.666 -12.130 -2.465 1.00 0.00 O ATOM 0 H TYR A 78 -5.895 -7.550 3.539 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.758 -9.645 3.558 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.014 -7.942 1.938 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.339 -8.036 1.430 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.570 -9.896 1.349 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.695 -9.458 -0.367 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -10.209 -11.411 -0.475 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.331 -10.973 -2.193 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.912 -12.236 -3.081 1.00 0.00 H new ATOM 1261 N ILE A 79 -4.726 -10.458 2.606 1.00 0.00 N ATOM 1262 CA ILE A 79 -3.846 -11.584 2.314 1.00 0.00 C ATOM 1263 C ILE A 79 -3.705 -12.501 3.524 1.00 0.00 C ATOM 1264 O ILE A 79 -3.746 -13.725 3.396 1.00 0.00 O ATOM 1265 CB ILE A 79 -2.447 -11.108 1.879 1.00 0.00 C ATOM 1266 CG1 ILE A 79 -2.537 -10.318 0.571 1.00 0.00 C ATOM 1267 CG2 ILE A 79 -1.508 -12.294 1.724 1.00 0.00 C ATOM 1268 CD1 ILE A 79 -1.420 -9.314 0.393 1.00 0.00 C ATOM 0 H ILE A 79 -4.248 -9.561 2.695 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.304 -12.137 1.494 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.047 -10.452 2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.525 -11.015 -0.267 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.493 -9.796 0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.524 -11.941 1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.424 -12.819 2.676 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.902 -12.974 0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.548 -8.791 -0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.445 -8.594 1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.461 -9.832 0.395 1.00 0.00 H new ATOM 1280 N ASP A 80 -3.541 -11.901 4.698 1.00 0.00 N ATOM 1281 CA ASP A 80 -3.397 -12.663 5.932 1.00 0.00 C ATOM 1282 C ASP A 80 -4.608 -13.562 6.161 1.00 0.00 C ATOM 1283 O ASP A 80 -4.472 -14.705 6.599 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.217 -11.719 7.122 1.00 0.00 C ATOM 1285 CG ASP A 80 -3.272 -12.445 8.452 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -2.856 -13.622 8.503 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -3.730 -11.836 9.441 1.00 0.00 O ATOM 0 H ASP A 80 -3.505 -10.889 4.821 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.512 -13.292 5.839 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.260 -11.204 7.032 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.994 -10.955 7.096 1.00 0.00 H new ATOM 1292 N LEU A 81 -5.792 -13.040 5.861 1.00 0.00 N ATOM 1293 CA LEU A 81 -7.028 -13.795 6.033 1.00 0.00 C ATOM 1294 C LEU A 81 -7.073 -14.990 5.086 1.00 0.00 C ATOM 1295 O LEU A 81 -7.248 -16.130 5.515 1.00 0.00 O ATOM 1296 CB LEU A 81 -8.238 -12.892 5.792 1.00 0.00 C ATOM 1297 CG LEU A 81 -8.705 -12.061 6.988 1.00 0.00 C ATOM 1298 CD1 LEU A 81 -9.567 -10.898 6.525 1.00 0.00 C ATOM 1299 CD2 LEU A 81 -9.467 -12.932 7.977 1.00 0.00 C ATOM 0 H LEU A 81 -5.922 -12.096 5.497 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.058 -14.166 7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.002 -12.212 4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.070 -13.514 5.460 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.827 -11.657 7.491 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.890 -10.318 7.389 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.989 -10.261 5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.441 -11.280 5.997 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.792 -12.325 8.822 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.338 -13.365 7.485 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.817 -13.731 8.334 1.00 0.00 H new ATOM 1311 N LYS A 82 -6.911 -14.721 3.795 1.00 0.00 N ATOM 1312 CA LYS A 82 -6.930 -15.773 2.785 1.00 0.00 C ATOM 1313 C LYS A 82 -5.872 -16.830 3.083 1.00 0.00 C ATOM 1314 O LYS A 82 -6.148 -18.028 3.027 1.00 0.00 O ATOM 1315 CB LYS A 82 -6.694 -15.177 1.395 1.00 0.00 C ATOM 1316 CG LYS A 82 -7.929 -14.526 0.796 1.00 0.00 C ATOM 1317 CD LYS A 82 -8.857 -15.556 0.172 1.00 0.00 C ATOM 1318 CE LYS A 82 -10.205 -14.949 -0.183 1.00 0.00 C ATOM 1319 NZ LYS A 82 -10.987 -15.831 -1.092 1.00 0.00 N ATOM 0 H LYS A 82 -6.765 -13.783 3.423 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.911 -16.248 2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.897 -14.436 1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -6.347 -15.964 0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.463 -13.976 1.571 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.628 -13.801 0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.395 -15.968 -0.725 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.001 -16.385 0.865 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.775 -14.771 0.729 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.053 -13.980 -0.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.899 -15.382 -1.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.455 -15.981 -1.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.154 -16.747 -0.628 1.00 0.00 H new ATOM 1333 N GLU A 83 -4.662 -16.380 3.400 1.00 0.00 N ATOM 1334 CA GLU A 83 -3.565 -17.289 3.706 1.00 0.00 C ATOM 1335 C GLU A 83 -3.955 -18.257 4.820 1.00 0.00 C ATOM 1336 O GLU A 83 -3.898 -19.474 4.647 1.00 0.00 O ATOM 1337 CB GLU A 83 -2.318 -16.500 4.114 1.00 0.00 C ATOM 1338 CG GLU A 83 -1.464 -16.061 2.937 1.00 0.00 C ATOM 1339 CD GLU A 83 -0.513 -17.145 2.469 1.00 0.00 C ATOM 1340 OE1 GLU A 83 -0.995 -18.220 2.055 1.00 0.00 O ATOM 1341 OE2 GLU A 83 0.714 -16.918 2.518 1.00 0.00 O ATOM 0 H GLU A 83 -4.417 -15.391 3.451 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.344 -17.866 2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.624 -15.619 4.679 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.713 -17.113 4.782 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.113 -15.771 2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.891 -15.177 3.218 1.00 0.00 H new ATOM 1348 N SER A 84 -4.351 -17.706 5.963 1.00 0.00 N ATOM 1349 CA SER A 84 -4.747 -18.519 7.107 1.00 0.00 C ATOM 1350 C SER A 84 -3.609 -19.439 7.538 1.00 0.00 C ATOM 1351 O SER A 84 -3.840 -20.553 8.005 1.00 0.00 O ATOM 1352 CB SER A 84 -5.987 -19.349 6.766 1.00 0.00 C ATOM 1353 OG SER A 84 -7.155 -18.546 6.774 1.00 0.00 O ATOM 0 H SER A 84 -4.406 -16.700 6.121 1.00 0.00 H new ATOM 0 HA SER A 84 -4.983 -17.849 7.933 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.863 -19.807 5.785 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.095 -20.161 7.486 1.00 0.00 H new ATOM 0 HG SER A 84 -7.015 -17.760 6.206 1.00 0.00 H new ATOM 1359 N GLY A 85 -2.378 -18.962 7.379 1.00 0.00 N ATOM 1360 CA GLY A 85 -1.221 -19.754 7.757 1.00 0.00 C ATOM 1361 C GLY A 85 -1.127 -19.964 9.255 1.00 0.00 C ATOM 1362 O GLY A 85 -2.113 -19.850 9.983 1.00 0.00 O ATOM 0 H GLY A 85 -2.161 -18.042 6.996 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.269 -20.723 7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.315 -19.260 7.405 1.00 0.00 H new ATOM 1366 N PRO A 86 0.085 -20.280 9.737 1.00 0.00 N ATOM 1367 CA PRO A 86 0.333 -20.514 11.162 1.00 0.00 C ATOM 1368 C PRO A 86 0.229 -19.235 11.987 1.00 0.00 C ATOM 1369 O PRO A 86 -0.020 -19.281 13.192 1.00 0.00 O ATOM 1370 CB PRO A 86 1.765 -21.053 11.189 1.00 0.00 C ATOM 1371 CG PRO A 86 2.399 -20.506 9.957 1.00 0.00 C ATOM 1372 CD PRO A 86 1.305 -20.431 8.927 1.00 0.00 C ATOM 0 HA PRO A 86 -0.401 -21.193 11.597 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.294 -20.727 12.085 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.778 -22.143 11.190 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.828 -19.521 10.143 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.211 -21.149 9.618 1.00 0.00 H new ATOM 0 HD2 PRO A 86 1.446 -19.587 8.251 1.00 0.00 H new ATOM 0 HD3 PRO A 86 1.270 -21.330 8.311 1.00 0.00 H new ATOM 1380 N SER A 87 0.423 -18.096 11.331 1.00 0.00 N ATOM 1381 CA SER A 87 0.355 -16.805 12.004 1.00 0.00 C ATOM 1382 C SER A 87 -0.788 -16.778 13.014 1.00 0.00 C ATOM 1383 O SER A 87 -0.599 -16.406 14.173 1.00 0.00 O ATOM 1384 CB SER A 87 0.173 -15.681 10.982 1.00 0.00 C ATOM 1385 OG SER A 87 0.675 -14.453 11.478 1.00 0.00 O ATOM 0 H SER A 87 0.629 -18.041 10.333 1.00 0.00 H new ATOM 0 HA SER A 87 1.293 -16.653 12.538 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.687 -15.940 10.057 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.884 -15.574 10.740 1.00 0.00 H new ATOM 0 HG SER A 87 0.548 -13.752 10.805 1.00 0.00 H new ATOM 1391 N SER A 88 -1.975 -17.176 12.566 1.00 0.00 N ATOM 1392 CA SER A 88 -3.150 -17.195 13.429 1.00 0.00 C ATOM 1393 C SER A 88 -3.273 -18.534 14.150 1.00 0.00 C ATOM 1394 O SER A 88 -2.797 -19.559 13.665 1.00 0.00 O ATOM 1395 CB SER A 88 -4.414 -16.925 12.611 1.00 0.00 C ATOM 1396 OG SER A 88 -4.832 -18.090 11.920 1.00 0.00 O ATOM 0 H SER A 88 -2.148 -17.489 11.611 1.00 0.00 H new ATOM 0 HA SER A 88 -3.035 -16.409 14.176 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.212 -16.583 13.270 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.225 -16.123 11.897 1.00 0.00 H new ATOM 0 HG SER A 88 -5.643 -17.892 11.406 1.00 0.00 H new ATOM 1402 N GLY A 89 -3.917 -18.516 15.313 1.00 0.00 N ATOM 1403 CA GLY A 89 -4.091 -19.733 16.083 1.00 0.00 C ATOM 1404 C GLY A 89 -5.175 -19.603 17.136 1.00 0.00 C ATOM 1405 O GLY A 89 -6.332 -19.330 16.816 1.00 0.00 O ATOM 0 H GLY A 89 -4.321 -17.680 15.735 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.340 -20.553 15.409 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.149 -19.992 16.566 1.00 0.00 H new TER 1409 GLY A 89