USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 602 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 NoAdj : A 56 ASNHD21 : A 56 ASN OD1 : A 105 LALA :(metal ligand) USER MOD NoAdj : A 56 ASNHD22 : A 56 ASN OD1 : A 105 LALA :(metal ligand) USER MOD Single : A 1 LYS N :NH3+ -175:sc= 0 (180deg=-0.0404) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 40:sc= -0.288 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.696 X(o=-0.7,f=-0.54) USER MOD Single : A 22 GLN : amide:sc= -2.14! C(o=-2.1!,f=-5.1!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0503 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= -0.0564 (180deg=-0.459) USER MOD Single : A 74 SER OG : rot -89:sc= 1.16 USER MOD Single : A 75 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LYS A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LYS A 1 3.529 0.376 -0.961 1.00 0.00 C ATOM 4 O LYS A 1 4.448 -0.324 -1.383 1.00 0.00 O ATOM 5 CB LYS A 1 1.395 0.903 -2.278 1.00 0.00 C ATOM 6 CG LYS A 1 0.377 0.119 -3.107 1.00 0.00 C ATOM 7 CD LYS A 1 -0.274 1.013 -4.165 1.00 0.00 C ATOM 8 CE LYS A 1 -1.261 0.219 -5.023 1.00 0.00 C ATOM 9 NZ LYS A 1 -1.704 1.024 -6.183 1.00 0.00 N ATOM 0 H1 LYS A 1 0.357 -0.337 -0.177 1.00 0.00 H new ATOM 0 H2 LYS A 1 1.791 -0.629 0.685 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.291 0.966 0.384 1.00 0.00 H new ATOM 0 HA LYS A 1 2.081 -0.998 -1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 1 0.897 1.730 -1.772 1.00 0.00 H new ATOM 0 HB3 LYS A 1 2.147 1.338 -2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 1 0.869 -0.724 -3.591 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -0.390 -0.293 -2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -0.793 1.839 -3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 1 0.496 1.450 -4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -0.792 -0.702 -5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -2.124 -0.070 -4.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -2.373 0.470 -6.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -2.170 1.890 -5.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -0.880 1.278 -6.764 1.00 0.00 H new ATOM 23 N SER A 2 3.693 1.480 -0.247 1.00 0.00 N ATOM 24 CA SER A 2 5.021 1.957 0.099 1.00 0.00 C ATOM 25 C SER A 2 5.566 1.169 1.292 1.00 0.00 C ATOM 26 O SER A 2 4.803 0.553 2.034 1.00 0.00 O ATOM 27 CB SER A 2 5.003 3.454 0.415 1.00 0.00 C ATOM 28 OG SER A 2 5.676 4.218 -0.582 1.00 0.00 O ATOM 0 H SER A 2 2.928 2.058 0.101 1.00 0.00 H new ATOM 0 HA SER A 2 5.675 1.802 -0.759 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.971 3.795 0.498 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.474 3.626 1.383 1.00 0.00 H new ATOM 0 HG SER A 2 5.641 5.168 -0.345 1.00 0.00 H new ATOM 34 N PRO A 3 6.916 1.216 1.443 1.00 0.00 N ATOM 35 CA PRO A 3 7.573 0.514 2.533 1.00 0.00 C ATOM 36 C PRO A 3 7.364 1.246 3.860 1.00 0.00 C ATOM 37 O PRO A 3 7.078 0.620 4.880 1.00 0.00 O ATOM 38 CB PRO A 3 9.034 0.431 2.124 1.00 0.00 C ATOM 39 CG PRO A 3 9.227 1.489 1.049 1.00 0.00 C ATOM 40 CD PRO A 3 7.852 1.936 0.583 1.00 0.00 C ATOM 0 HA PRO A 3 7.163 -0.482 2.700 1.00 0.00 H new ATOM 0 HB2 PRO A 3 9.689 0.615 2.976 1.00 0.00 H new ATOM 0 HB3 PRO A 3 9.277 -0.561 1.744 1.00 0.00 H new ATOM 0 HG2 PRO A 3 9.790 2.335 1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 3 9.800 1.085 0.215 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.732 3.015 0.683 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.692 1.693 -0.467 1.00 0.00 H new ATOM 48 N GLU A 4 7.515 2.561 3.805 1.00 0.00 N ATOM 49 CA GLU A 4 7.347 3.384 4.990 1.00 0.00 C ATOM 50 C GLU A 4 5.979 3.128 5.625 1.00 0.00 C ATOM 51 O GLU A 4 5.862 3.056 6.847 1.00 0.00 O ATOM 52 CB GLU A 4 7.528 4.867 4.658 1.00 0.00 C ATOM 53 CG GLU A 4 8.617 5.495 5.530 1.00 0.00 C ATOM 54 CD GLU A 4 8.057 5.912 6.891 1.00 0.00 C ATOM 55 OE1 GLU A 4 7.413 5.051 7.528 1.00 0.00 O ATOM 56 OE2 GLU A 4 8.285 7.083 7.265 1.00 0.00 O ATOM 0 H GLU A 4 7.752 3.077 2.958 1.00 0.00 H new ATOM 0 HA GLU A 4 8.117 3.110 5.711 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.790 4.978 3.606 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.586 5.395 4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.431 4.784 5.670 1.00 0.00 H new ATOM 0 HG3 GLU A 4 9.037 6.364 5.024 1.00 0.00 H new ATOM 63 N GLU A 5 4.979 2.996 4.766 1.00 0.00 N ATOM 64 CA GLU A 5 3.624 2.749 5.228 1.00 0.00 C ATOM 65 C GLU A 5 3.509 1.337 5.805 1.00 0.00 C ATOM 66 O GLU A 5 2.738 1.103 6.734 1.00 0.00 O ATOM 67 CB GLU A 5 2.612 2.965 4.100 1.00 0.00 C ATOM 68 CG GLU A 5 1.905 4.313 4.248 1.00 0.00 C ATOM 69 CD GLU A 5 0.396 4.166 4.042 1.00 0.00 C ATOM 70 OE1 GLU A 5 -0.227 3.477 4.879 1.00 0.00 O ATOM 71 OE2 GLU A 5 -0.102 4.746 3.053 1.00 0.00 O ATOM 0 H GLU A 5 5.080 3.055 3.753 1.00 0.00 H new ATOM 0 HA GLU A 5 3.395 3.463 6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.121 2.921 3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.876 2.161 4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.102 4.724 5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.307 5.020 3.523 1.00 0.00 H new ATOM 78 N LEU A 6 4.287 0.432 5.230 1.00 0.00 N ATOM 79 CA LEU A 6 4.282 -0.951 5.675 1.00 0.00 C ATOM 80 C LEU A 6 4.699 -1.010 7.146 1.00 0.00 C ATOM 81 O LEU A 6 4.119 -1.760 7.930 1.00 0.00 O ATOM 82 CB LEU A 6 5.149 -1.813 4.755 1.00 0.00 C ATOM 83 CG LEU A 6 4.426 -2.478 3.582 1.00 0.00 C ATOM 84 CD1 LEU A 6 5.426 -3.035 2.567 1.00 0.00 C ATOM 85 CD2 LEU A 6 3.452 -3.550 4.074 1.00 0.00 C ATOM 0 H LEU A 6 4.925 0.630 4.459 1.00 0.00 H new ATOM 0 HA LEU A 6 3.277 -1.368 5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.951 -1.191 4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.618 -2.592 5.356 1.00 0.00 H new ATOM 0 HG LEU A 6 3.836 -1.718 3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.886 -3.502 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.044 -2.224 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.061 -3.776 3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.952 -4.007 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.000 -4.314 4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.709 -3.094 4.728 1.00 0.00 H new ATOM 97 N LYS A 7 5.701 -0.209 7.476 1.00 0.00 N ATOM 98 CA LYS A 7 6.202 -0.160 8.839 1.00 0.00 C ATOM 99 C LYS A 7 5.158 0.505 9.739 1.00 0.00 C ATOM 100 O LYS A 7 4.786 -0.045 10.774 1.00 0.00 O ATOM 101 CB LYS A 7 7.573 0.519 8.882 1.00 0.00 C ATOM 102 CG LYS A 7 8.470 -0.123 9.943 1.00 0.00 C ATOM 103 CD LYS A 7 9.775 0.658 10.103 1.00 0.00 C ATOM 104 CE LYS A 7 10.731 0.372 8.943 1.00 0.00 C ATOM 105 NZ LYS A 7 11.605 1.540 8.692 1.00 0.00 N ATOM 0 H LYS A 7 6.180 0.411 6.823 1.00 0.00 H new ATOM 0 HA LYS A 7 6.359 -1.168 9.223 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.050 0.446 7.905 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.451 1.580 9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.944 -0.158 10.897 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.690 -1.153 9.663 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.561 1.726 10.148 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.251 0.389 11.046 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.340 -0.503 9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.161 0.137 8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.248 1.329 7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.020 2.366 8.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.162 1.747 9.546 1.00 0.00 H new ATOM 119 N GLY A 8 4.716 1.678 9.311 1.00 0.00 N ATOM 120 CA GLY A 8 3.722 2.424 10.064 1.00 0.00 C ATOM 121 C GLY A 8 2.479 1.571 10.325 1.00 0.00 C ATOM 122 O GLY A 8 2.120 1.326 11.476 1.00 0.00 O ATOM 0 H GLY A 8 5.028 2.131 8.452 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.149 2.751 11.012 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.442 3.322 9.514 1.00 0.00 H new ATOM 126 N ILE A 9 1.856 1.142 9.238 1.00 0.00 N ATOM 127 CA ILE A 9 0.660 0.322 9.335 1.00 0.00 C ATOM 128 C ILE A 9 0.950 -0.892 10.219 1.00 0.00 C ATOM 129 O ILE A 9 0.168 -1.216 11.112 1.00 0.00 O ATOM 130 CB ILE A 9 0.145 -0.041 7.941 1.00 0.00 C ATOM 131 CG1 ILE A 9 -0.697 1.095 7.354 1.00 0.00 C ATOM 132 CG2 ILE A 9 -0.620 -1.366 7.966 1.00 0.00 C ATOM 133 CD1 ILE A 9 -1.360 0.666 6.044 1.00 0.00 C ATOM 0 H ILE A 9 2.157 1.347 8.285 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.146 0.879 9.812 1.00 0.00 H new ATOM 0 HB ILE A 9 1.005 -0.178 7.285 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.461 1.394 8.071 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.066 1.966 7.178 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.975 -1.600 6.962 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.041 -2.161 8.312 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.471 -1.282 8.642 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.952 1.491 5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.592 0.391 5.321 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.009 -0.190 6.228 1.00 0.00 H new ATOM 145 N PHE A 10 2.076 -1.532 9.939 1.00 0.00 N ATOM 146 CA PHE A 10 2.479 -2.704 10.697 1.00 0.00 C ATOM 147 C PHE A 10 2.444 -2.423 12.201 1.00 0.00 C ATOM 148 O PHE A 10 1.778 -3.132 12.954 1.00 0.00 O ATOM 149 CB PHE A 10 3.916 -3.032 10.285 1.00 0.00 C ATOM 150 CG PHE A 10 4.699 -3.823 11.334 1.00 0.00 C ATOM 151 CD1 PHE A 10 5.367 -3.167 12.321 1.00 0.00 C ATOM 152 CD2 PHE A 10 4.728 -5.181 11.280 1.00 0.00 C ATOM 153 CE1 PHE A 10 6.094 -3.901 13.295 1.00 0.00 C ATOM 154 CE2 PHE A 10 5.456 -5.916 12.254 1.00 0.00 C ATOM 155 CZ PHE A 10 6.123 -5.260 13.241 1.00 0.00 C ATOM 0 H PHE A 10 2.722 -1.261 9.198 1.00 0.00 H new ATOM 0 HA PHE A 10 1.799 -3.531 10.493 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.896 -3.602 9.356 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.445 -2.102 10.077 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.344 -2.088 12.364 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.197 -5.701 10.496 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.624 -3.380 14.079 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.480 -6.995 12.211 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.676 -5.818 13.982 1.00 0.00 H new ATOM 165 N GLU A 11 3.170 -1.386 12.594 1.00 0.00 N ATOM 166 CA GLU A 11 3.231 -1.002 13.994 1.00 0.00 C ATOM 167 C GLU A 11 1.841 -0.608 14.496 1.00 0.00 C ATOM 168 O GLU A 11 1.472 -0.925 15.626 1.00 0.00 O ATOM 169 CB GLU A 11 4.234 0.132 14.208 1.00 0.00 C ATOM 170 CG GLU A 11 5.279 -0.251 15.258 1.00 0.00 C ATOM 171 CD GLU A 11 5.486 0.882 16.265 1.00 0.00 C ATOM 172 OE1 GLU A 11 5.907 1.970 15.817 1.00 0.00 O ATOM 173 OE2 GLU A 11 5.217 0.635 17.461 1.00 0.00 O ATOM 0 H GLU A 11 3.721 -0.800 11.967 1.00 0.00 H new ATOM 0 HA GLU A 11 3.575 -1.860 14.572 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.729 0.367 13.266 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.708 1.033 14.525 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.961 -1.153 15.781 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.224 -0.483 14.767 1.00 0.00 H new ATOM 180 N LYS A 12 1.107 0.079 13.633 1.00 0.00 N ATOM 181 CA LYS A 12 -0.234 0.520 13.975 1.00 0.00 C ATOM 182 C LYS A 12 -1.102 -0.699 14.293 1.00 0.00 C ATOM 183 O LYS A 12 -2.126 -0.579 14.965 1.00 0.00 O ATOM 184 CB LYS A 12 -0.805 1.409 12.869 1.00 0.00 C ATOM 185 CG LYS A 12 -2.090 2.101 13.328 1.00 0.00 C ATOM 186 CD LYS A 12 -3.190 1.971 12.273 1.00 0.00 C ATOM 187 CE LYS A 12 -3.758 3.342 11.901 1.00 0.00 C ATOM 188 NZ LYS A 12 -4.867 3.198 10.932 1.00 0.00 N ATOM 0 H LYS A 12 1.416 0.341 12.697 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.213 1.140 14.871 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.067 2.158 12.583 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.009 0.807 11.983 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.428 1.662 14.267 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.890 3.155 13.522 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.790 1.486 11.383 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.989 1.333 12.652 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.114 3.850 12.797 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.972 3.964 11.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.241 4.138 10.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.517 2.733 10.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.624 2.622 11.353 1.00 0.00 H new ATOM 202 N TYR A 13 -0.661 -1.845 13.796 1.00 0.00 N ATOM 203 CA TYR A 13 -1.385 -3.085 14.018 1.00 0.00 C ATOM 204 C TYR A 13 -0.810 -3.849 15.213 1.00 0.00 C ATOM 205 O TYR A 13 -1.558 -4.360 16.045 1.00 0.00 O ATOM 206 CB TYR A 13 -1.189 -3.921 12.752 1.00 0.00 C ATOM 207 CG TYR A 13 -2.392 -3.910 11.807 1.00 0.00 C ATOM 208 CD1 TYR A 13 -2.576 -2.856 10.936 1.00 0.00 C ATOM 209 CD2 TYR A 13 -3.294 -4.955 11.826 1.00 0.00 C ATOM 210 CE1 TYR A 13 -3.709 -2.846 10.046 1.00 0.00 C ATOM 211 CE2 TYR A 13 -4.426 -4.945 10.936 1.00 0.00 C ATOM 212 CZ TYR A 13 -4.578 -3.891 10.090 1.00 0.00 C ATOM 213 OH TYR A 13 -5.647 -3.882 9.250 1.00 0.00 O ATOM 0 H TYR A 13 0.189 -1.941 13.240 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.436 -2.883 14.227 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.315 -3.550 12.216 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.974 -4.951 13.038 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.871 -2.038 10.921 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.151 -5.780 12.508 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.865 -2.027 9.359 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.139 -5.757 10.940 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.371 -3.541 8.373 1.00 0.00 H new ATOM 223 N ALA A 14 0.513 -3.902 15.260 1.00 0.00 N ATOM 224 CA ALA A 14 1.197 -4.594 16.338 1.00 0.00 C ATOM 225 C ALA A 14 0.934 -3.862 17.656 1.00 0.00 C ATOM 226 O ALA A 14 1.183 -4.404 18.732 1.00 0.00 O ATOM 227 CB ALA A 14 2.689 -4.695 16.016 1.00 0.00 C ATOM 0 H ALA A 14 1.130 -3.476 14.568 1.00 0.00 H new ATOM 0 HA ALA A 14 0.817 -5.610 16.443 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.202 -5.214 16.826 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.824 -5.249 15.087 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.106 -3.694 15.906 1.00 0.00 H new ATOM 233 N ALA A 15 0.433 -2.642 17.529 1.00 0.00 N ATOM 234 CA ALA A 15 0.133 -1.830 18.696 1.00 0.00 C ATOM 235 C ALA A 15 -1.265 -2.179 19.209 1.00 0.00 C ATOM 236 O ALA A 15 -1.558 -2.006 20.391 1.00 0.00 O ATOM 237 CB ALA A 15 0.270 -0.349 18.337 1.00 0.00 C ATOM 0 H ALA A 15 0.227 -2.196 16.635 1.00 0.00 H new ATOM 0 HA ALA A 15 0.840 -2.037 19.499 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.045 0.260 19.213 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.289 -0.147 18.007 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.426 -0.103 17.535 1.00 0.00 H new ATOM 243 N LYS A 16 -2.092 -2.664 18.294 1.00 0.00 N ATOM 244 CA LYS A 16 -3.453 -3.039 18.639 1.00 0.00 C ATOM 245 C LYS A 16 -3.426 -4.021 19.811 1.00 0.00 C ATOM 246 O LYS A 16 -3.897 -3.704 20.903 1.00 0.00 O ATOM 247 CB LYS A 16 -4.191 -3.570 17.408 1.00 0.00 C ATOM 248 CG LYS A 16 -5.300 -2.609 16.976 1.00 0.00 C ATOM 249 CD LYS A 16 -4.723 -1.415 16.213 1.00 0.00 C ATOM 250 CE LYS A 16 -5.760 -0.297 16.079 1.00 0.00 C ATOM 251 NZ LYS A 16 -5.158 1.011 16.420 1.00 0.00 N ATOM 0 H LYS A 16 -1.846 -2.806 17.314 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.017 -2.166 18.968 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.486 -3.709 16.589 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.618 -4.548 17.630 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.018 -3.135 16.347 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.843 -2.257 17.853 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.842 -1.038 16.732 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.397 -1.734 15.223 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.147 -0.272 15.060 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.606 -0.497 16.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.875 1.759 16.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.810 0.988 17.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.365 1.207 15.776 1.00 0.00 H new ATOM 265 N GLU A 17 -2.869 -5.194 19.546 1.00 0.00 N ATOM 266 CA GLU A 17 -2.774 -6.224 20.566 1.00 0.00 C ATOM 267 C GLU A 17 -1.308 -6.580 20.826 1.00 0.00 C ATOM 268 O GLU A 17 -0.554 -6.841 19.891 1.00 0.00 O ATOM 269 CB GLU A 17 -3.576 -7.465 20.168 1.00 0.00 C ATOM 270 CG GLU A 17 -5.079 -7.208 20.292 1.00 0.00 C ATOM 271 CD GLU A 17 -5.772 -8.355 21.031 1.00 0.00 C ATOM 272 OE1 GLU A 17 -5.919 -9.427 20.404 1.00 0.00 O ATOM 273 OE2 GLU A 17 -6.139 -8.135 22.205 1.00 0.00 O ATOM 0 H GLU A 17 -2.479 -5.454 18.640 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.203 -5.834 21.489 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.335 -7.745 19.143 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.293 -8.305 20.803 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.249 -6.272 20.825 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.515 -7.094 19.300 1.00 0.00 H new ATOM 280 N GLY A 18 -0.950 -6.578 22.102 1.00 0.00 N ATOM 281 CA GLY A 18 0.411 -6.897 22.497 1.00 0.00 C ATOM 282 C GLY A 18 1.384 -5.806 22.043 1.00 0.00 C ATOM 283 O GLY A 18 0.983 -4.845 21.389 1.00 0.00 O ATOM 0 H GLY A 18 -1.579 -6.361 22.875 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.463 -7.008 23.580 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.704 -7.854 22.065 1.00 0.00 H new ATOM 287 N ASP A 19 2.644 -5.993 22.406 1.00 0.00 N ATOM 288 CA ASP A 19 3.677 -5.038 22.044 1.00 0.00 C ATOM 289 C ASP A 19 3.717 -4.890 20.522 1.00 0.00 C ATOM 290 O ASP A 19 3.570 -5.871 19.795 1.00 0.00 O ATOM 291 CB ASP A 19 5.055 -5.513 22.509 1.00 0.00 C ATOM 292 CG ASP A 19 6.050 -4.396 22.829 1.00 0.00 C ATOM 293 OD1 ASP A 19 6.673 -3.898 21.866 1.00 0.00 O ATOM 294 OD2 ASP A 19 6.166 -4.065 24.029 1.00 0.00 O ATOM 0 H ASP A 19 2.973 -6.792 22.947 1.00 0.00 H new ATOM 0 HA ASP A 19 3.442 -4.089 22.525 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.929 -6.132 23.397 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.483 -6.150 21.735 1.00 0.00 H new ATOM 299 N PRO A 20 3.922 -3.622 20.073 1.00 0.00 N ATOM 300 CA PRO A 20 3.984 -3.333 18.650 1.00 0.00 C ATOM 301 C PRO A 20 5.314 -3.797 18.053 1.00 0.00 C ATOM 302 O PRO A 20 5.550 -3.639 16.856 1.00 0.00 O ATOM 303 CB PRO A 20 3.777 -1.831 18.545 1.00 0.00 C ATOM 304 CG PRO A 20 4.072 -1.272 19.927 1.00 0.00 C ATOM 305 CD PRO A 20 4.101 -2.436 20.904 1.00 0.00 C ATOM 0 HA PRO A 20 3.225 -3.867 18.079 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.441 -1.397 17.798 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.757 -1.598 18.239 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.027 -0.747 19.930 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.310 -0.549 20.217 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.045 -2.473 21.448 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.308 -2.349 21.647 1.00 0.00 H new ATOM 313 N ASN A 21 6.149 -4.360 18.915 1.00 0.00 N ATOM 314 CA ASN A 21 7.449 -4.848 18.488 1.00 0.00 C ATOM 315 C ASN A 21 7.357 -6.348 18.201 1.00 0.00 C ATOM 316 O ASN A 21 8.370 -6.997 17.944 1.00 0.00 O ATOM 317 CB ASN A 21 8.501 -4.638 19.578 1.00 0.00 C ATOM 318 CG ASN A 21 8.868 -3.159 19.710 1.00 0.00 C ATOM 319 OD1 ASN A 21 9.977 -2.739 19.423 1.00 0.00 O ATOM 320 ND2 ASN A 21 7.877 -2.394 20.160 1.00 0.00 N ATOM 0 H ASN A 21 5.950 -4.489 19.907 1.00 0.00 H new ATOM 0 HA ASN A 21 7.740 -4.295 17.595 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.122 -5.008 20.530 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.394 -5.218 19.343 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.022 -1.392 20.283 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.972 -2.810 20.382 1.00 0.00 H new ATOM 327 N GLN A 22 6.134 -6.854 18.255 1.00 0.00 N ATOM 328 CA GLN A 22 5.897 -8.266 18.004 1.00 0.00 C ATOM 329 C GLN A 22 4.463 -8.485 17.516 1.00 0.00 C ATOM 330 O GLN A 22 3.515 -7.991 18.124 1.00 0.00 O ATOM 331 CB GLN A 22 6.184 -9.100 19.253 1.00 0.00 C ATOM 332 CG GLN A 22 5.774 -8.349 20.521 1.00 0.00 C ATOM 333 CD GLN A 22 7.001 -7.955 21.346 1.00 0.00 C ATOM 334 OE1 GLN A 22 8.017 -7.521 20.828 1.00 0.00 O ATOM 335 NE2 GLN A 22 6.851 -8.130 22.656 1.00 0.00 N ATOM 0 H GLN A 22 5.297 -6.312 18.469 1.00 0.00 H new ATOM 0 HA GLN A 22 6.581 -8.596 17.222 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.644 -10.045 19.195 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.246 -9.342 19.297 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.210 -7.456 20.253 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.114 -8.975 21.121 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.974 -8.498 23.024 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.613 -7.897 23.292 1.00 0.00 H new ATOM 344 N LEU A 23 4.351 -9.225 16.423 1.00 0.00 N ATOM 345 CA LEU A 23 3.049 -9.515 15.846 1.00 0.00 C ATOM 346 C LEU A 23 2.532 -10.842 16.407 1.00 0.00 C ATOM 347 O LEU A 23 3.316 -11.682 16.846 1.00 0.00 O ATOM 348 CB LEU A 23 3.119 -9.478 14.319 1.00 0.00 C ATOM 349 CG LEU A 23 3.375 -8.106 13.692 1.00 0.00 C ATOM 350 CD1 LEU A 23 2.077 -7.494 13.163 1.00 0.00 C ATOM 351 CD2 LEU A 23 4.088 -7.178 14.677 1.00 0.00 C ATOM 0 H LEU A 23 5.140 -9.633 15.922 1.00 0.00 H new ATOM 0 HA LEU A 23 2.328 -8.747 16.127 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.908 -10.156 13.995 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.181 -9.867 13.923 1.00 0.00 H new ATOM 0 HG LEU A 23 4.039 -8.239 12.838 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.287 -6.519 12.723 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.648 -8.150 12.405 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.369 -7.376 13.984 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.258 -6.210 14.207 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.470 -7.046 15.565 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.045 -7.616 14.962 1.00 0.00 H new ATOM 363 N SER A 24 1.216 -10.989 16.373 1.00 0.00 N ATOM 364 CA SER A 24 0.585 -12.200 16.872 1.00 0.00 C ATOM 365 C SER A 24 -0.319 -12.801 15.794 1.00 0.00 C ATOM 366 O SER A 24 -0.662 -12.130 14.821 1.00 0.00 O ATOM 367 CB SER A 24 -0.218 -11.918 18.143 1.00 0.00 C ATOM 368 OG SER A 24 0.523 -11.146 19.083 1.00 0.00 O ATOM 0 H SER A 24 0.569 -10.290 16.008 1.00 0.00 H new ATOM 0 HA SER A 24 1.368 -12.917 17.121 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.135 -11.389 17.883 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.514 -12.862 18.602 1.00 0.00 H new ATOM 0 HG SER A 24 -0.025 -10.986 19.879 1.00 0.00 H new ATOM 374 N LYS A 25 -0.679 -14.059 16.003 1.00 0.00 N ATOM 375 CA LYS A 25 -1.537 -14.758 15.061 1.00 0.00 C ATOM 376 C LYS A 25 -2.805 -13.935 14.826 1.00 0.00 C ATOM 377 O LYS A 25 -3.076 -13.513 13.702 1.00 0.00 O ATOM 378 CB LYS A 25 -1.810 -16.184 15.542 1.00 0.00 C ATOM 379 CG LYS A 25 -2.698 -16.937 14.550 1.00 0.00 C ATOM 380 CD LYS A 25 -3.378 -18.133 15.220 1.00 0.00 C ATOM 381 CE LYS A 25 -4.751 -17.745 15.772 1.00 0.00 C ATOM 382 NZ LYS A 25 -5.753 -18.785 15.449 1.00 0.00 N ATOM 0 H LYS A 25 -0.392 -14.612 16.811 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.040 -14.861 14.096 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.867 -16.716 15.668 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.293 -16.156 16.519 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.454 -16.262 14.149 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.098 -17.281 13.707 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.488 -18.944 14.500 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.750 -18.507 16.028 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.691 -17.613 16.852 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.062 -16.789 15.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.679 -18.505 15.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.822 -18.892 14.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.463 -19.690 15.872 1.00 0.00 H new ATOM 396 N GLU A 26 -3.549 -13.732 15.903 1.00 0.00 N ATOM 397 CA GLU A 26 -4.783 -12.968 15.828 1.00 0.00 C ATOM 398 C GLU A 26 -4.512 -11.581 15.240 1.00 0.00 C ATOM 399 O GLU A 26 -5.295 -11.081 14.434 1.00 0.00 O ATOM 400 CB GLU A 26 -5.447 -12.861 17.202 1.00 0.00 C ATOM 401 CG GLU A 26 -6.831 -13.512 17.193 1.00 0.00 C ATOM 402 CD GLU A 26 -7.851 -12.641 17.931 1.00 0.00 C ATOM 403 OE1 GLU A 26 -7.594 -12.349 19.119 1.00 0.00 O ATOM 404 OE2 GLU A 26 -8.864 -12.287 17.290 1.00 0.00 O ATOM 0 H GLU A 26 -3.321 -14.083 16.833 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.474 -13.493 15.168 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.819 -13.343 17.952 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.536 -11.813 17.486 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.157 -13.668 16.165 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.778 -14.494 17.663 1.00 0.00 H new ATOM 411 N GLU A 27 -3.402 -10.999 15.667 1.00 0.00 N ATOM 412 CA GLU A 27 -3.018 -9.679 15.194 1.00 0.00 C ATOM 413 C GLU A 27 -2.814 -9.698 13.678 1.00 0.00 C ATOM 414 O GLU A 27 -3.450 -8.935 12.952 1.00 0.00 O ATOM 415 CB GLU A 27 -1.761 -9.184 15.911 1.00 0.00 C ATOM 416 CG GLU A 27 -2.101 -8.078 16.912 1.00 0.00 C ATOM 417 CD GLU A 27 -1.261 -6.826 16.653 1.00 0.00 C ATOM 418 OE1 GLU A 27 -0.927 -6.602 15.469 1.00 0.00 O ATOM 419 OE2 GLU A 27 -0.972 -6.121 17.643 1.00 0.00 O ATOM 0 H GLU A 27 -2.755 -11.417 16.336 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.824 -8.983 15.424 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.283 -10.015 16.430 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.044 -8.810 15.180 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.160 -7.831 16.840 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.925 -8.435 17.927 1.00 0.00 H new ATOM 426 N LEU A 28 -1.924 -10.579 13.244 1.00 0.00 N ATOM 427 CA LEU A 28 -1.628 -10.707 11.827 1.00 0.00 C ATOM 428 C LEU A 28 -2.931 -10.924 11.056 1.00 0.00 C ATOM 429 O LEU A 28 -3.146 -10.315 10.009 1.00 0.00 O ATOM 430 CB LEU A 28 -0.586 -11.803 11.595 1.00 0.00 C ATOM 431 CG LEU A 28 0.302 -11.633 10.360 1.00 0.00 C ATOM 432 CD1 LEU A 28 0.593 -10.155 10.093 1.00 0.00 C ATOM 433 CD2 LEU A 28 1.586 -12.455 10.491 1.00 0.00 C ATOM 0 H LEU A 28 -1.399 -11.211 13.848 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.181 -9.789 11.446 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.055 -11.859 12.474 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.104 -12.759 11.517 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.239 -12.016 9.495 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.226 -10.062 9.210 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.344 -9.624 9.925 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.105 -9.724 10.953 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.199 -12.317 9.600 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.141 -12.125 11.369 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.333 -13.510 10.597 1.00 0.00 H new ATOM 445 N LYS A 29 -3.767 -11.795 11.602 1.00 0.00 N ATOM 446 CA LYS A 29 -5.043 -12.101 10.979 1.00 0.00 C ATOM 447 C LYS A 29 -5.694 -10.802 10.497 1.00 0.00 C ATOM 448 O LYS A 29 -6.035 -10.673 9.322 1.00 0.00 O ATOM 449 CB LYS A 29 -5.923 -12.914 11.930 1.00 0.00 C ATOM 450 CG LYS A 29 -7.246 -13.294 11.262 1.00 0.00 C ATOM 451 CD LYS A 29 -7.784 -14.613 11.822 1.00 0.00 C ATOM 452 CE LYS A 29 -9.107 -14.397 12.559 1.00 0.00 C ATOM 453 NZ LYS A 29 -8.869 -13.762 13.875 1.00 0.00 N ATOM 0 H LYS A 29 -3.585 -12.299 12.470 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.897 -12.731 10.101 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.395 -13.816 12.238 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.120 -12.336 12.833 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.978 -12.502 11.420 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.101 -13.384 10.185 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.928 -15.325 11.010 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.052 -15.049 12.502 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.766 -13.769 11.959 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.614 -15.352 12.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.777 -13.622 14.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.258 -14.375 14.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.405 -12.842 13.737 1.00 0.00 H new ATOM 467 N LEU A 30 -5.847 -9.874 11.429 1.00 0.00 N ATOM 468 CA LEU A 30 -6.452 -8.590 11.115 1.00 0.00 C ATOM 469 C LEU A 30 -5.708 -7.956 9.938 1.00 0.00 C ATOM 470 O LEU A 30 -6.311 -7.646 8.911 1.00 0.00 O ATOM 471 CB LEU A 30 -6.503 -7.703 12.360 1.00 0.00 C ATOM 472 CG LEU A 30 -7.254 -8.277 13.562 1.00 0.00 C ATOM 473 CD1 LEU A 30 -7.626 -7.174 14.555 1.00 0.00 C ATOM 474 CD2 LEU A 30 -8.477 -9.079 13.113 1.00 0.00 C ATOM 0 H LEU A 30 -5.563 -9.985 12.402 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.488 -8.722 10.804 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.481 -7.483 12.667 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.965 -6.754 12.087 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.589 -8.967 14.081 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.159 -7.610 15.400 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.720 -6.684 14.911 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.265 -6.441 14.062 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.993 -9.476 13.987 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.153 -8.430 12.556 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.158 -9.903 12.475 1.00 0.00 H new ATOM 486 N LEU A 31 -4.408 -7.781 10.126 1.00 0.00 N ATOM 487 CA LEU A 31 -3.575 -7.189 9.092 1.00 0.00 C ATOM 488 C LEU A 31 -3.845 -7.893 7.761 1.00 0.00 C ATOM 489 O LEU A 31 -4.351 -7.279 6.822 1.00 0.00 O ATOM 490 CB LEU A 31 -2.104 -7.211 9.512 1.00 0.00 C ATOM 491 CG LEU A 31 -1.204 -6.162 8.857 1.00 0.00 C ATOM 492 CD1 LEU A 31 -0.505 -5.302 9.912 1.00 0.00 C ATOM 493 CD2 LEU A 31 -0.206 -6.816 7.899 1.00 0.00 C ATOM 0 H LEU A 31 -3.911 -8.039 10.979 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.828 -6.138 8.954 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.053 -7.080 10.593 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.698 -8.198 9.291 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.832 -5.497 8.264 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.128 -4.565 9.419 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.253 -4.791 10.518 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.108 -5.937 10.551 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.421 -6.048 7.447 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.420 -7.518 8.449 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.748 -7.348 7.117 1.00 0.00 H new ATOM 505 N LEU A 32 -3.496 -9.170 7.721 1.00 0.00 N ATOM 506 CA LEU A 32 -3.695 -9.963 6.520 1.00 0.00 C ATOM 507 C LEU A 32 -5.131 -9.781 6.026 1.00 0.00 C ATOM 508 O LEU A 32 -5.422 -10.013 4.853 1.00 0.00 O ATOM 509 CB LEU A 32 -3.311 -11.423 6.773 1.00 0.00 C ATOM 510 CG LEU A 32 -1.903 -11.661 7.321 1.00 0.00 C ATOM 511 CD1 LEU A 32 -1.769 -13.074 7.892 1.00 0.00 C ATOM 512 CD2 LEU A 32 -0.843 -11.370 6.257 1.00 0.00 C ATOM 0 H LEU A 32 -3.076 -9.676 8.501 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.038 -9.618 5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.029 -11.851 7.473 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.413 -11.972 5.837 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.734 -10.964 8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.759 -13.217 8.275 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.486 -13.209 8.701 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.966 -13.804 7.107 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.149 -11.547 6.673 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.999 -12.025 5.400 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.922 -10.330 5.939 1.00 0.00 H new ATOM 524 N GLN A 33 -5.992 -9.368 6.945 1.00 0.00 N ATOM 525 CA GLN A 33 -7.391 -9.153 6.617 1.00 0.00 C ATOM 526 C GLN A 33 -7.540 -7.934 5.705 1.00 0.00 C ATOM 527 O GLN A 33 -8.130 -8.027 4.630 1.00 0.00 O ATOM 528 CB GLN A 33 -8.233 -8.996 7.885 1.00 0.00 C ATOM 529 CG GLN A 33 -9.535 -9.792 7.780 1.00 0.00 C ATOM 530 CD GLN A 33 -10.439 -9.527 8.985 1.00 0.00 C ATOM 531 OE1 GLN A 33 -11.071 -8.489 9.104 1.00 0.00 O ATOM 532 NE2 GLN A 33 -10.466 -10.519 9.870 1.00 0.00 N ATOM 0 H GLN A 33 -5.747 -9.177 7.917 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.758 -10.029 6.083 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.663 -9.337 8.749 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.459 -7.942 8.048 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.058 -9.522 6.863 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.310 -10.857 7.717 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.913 -11.361 9.709 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.040 -10.438 10.709 1.00 0.00 H new ATOM 541 N THR A 34 -6.997 -6.818 6.168 1.00 0.00 N ATOM 542 CA THR A 34 -7.062 -5.581 5.408 1.00 0.00 C ATOM 543 C THR A 34 -5.821 -5.431 4.526 1.00 0.00 C ATOM 544 O THR A 34 -5.934 -5.185 3.326 1.00 0.00 O ATOM 545 CB THR A 34 -7.249 -4.428 6.396 1.00 0.00 C ATOM 546 OG1 THR A 34 -8.636 -4.113 6.304 1.00 0.00 O ATOM 547 CG2 THR A 34 -6.545 -3.148 5.941 1.00 0.00 C ATOM 0 H THR A 34 -6.509 -6.744 7.061 1.00 0.00 H new ATOM 0 HA THR A 34 -7.910 -5.582 4.723 1.00 0.00 H new ATOM 0 HB THR A 34 -6.870 -4.723 7.374 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.845 -3.375 6.914 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.709 -2.361 6.677 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.476 -3.336 5.843 1.00 0.00 H new ATOM 0 HG23 THR A 34 -6.948 -2.834 4.978 1.00 0.00 H new ATOM 555 N GLU A 35 -4.665 -5.586 5.155 1.00 0.00 N ATOM 556 CA GLU A 35 -3.404 -5.470 4.442 1.00 0.00 C ATOM 557 C GLU A 35 -3.452 -6.280 3.145 1.00 0.00 C ATOM 558 O GLU A 35 -3.272 -5.730 2.059 1.00 0.00 O ATOM 559 CB GLU A 35 -2.234 -5.915 5.323 1.00 0.00 C ATOM 560 CG GLU A 35 -0.924 -5.917 4.533 1.00 0.00 C ATOM 561 CD GLU A 35 -0.245 -4.547 4.593 1.00 0.00 C ATOM 562 OE1 GLU A 35 -0.584 -3.707 3.732 1.00 0.00 O ATOM 563 OE2 GLU A 35 0.598 -4.371 5.499 1.00 0.00 O ATOM 0 H GLU A 35 -4.575 -5.791 6.150 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.247 -4.422 4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.145 -5.248 6.180 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.428 -6.913 5.715 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.254 -6.677 4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.122 -6.184 3.495 1.00 0.00 H new ATOM 570 N PHE A 36 -3.696 -7.573 3.300 1.00 0.00 N ATOM 571 CA PHE A 36 -3.770 -8.463 2.154 1.00 0.00 C ATOM 572 C PHE A 36 -4.699 -9.645 2.436 1.00 0.00 C ATOM 573 O PHE A 36 -4.258 -10.682 2.929 1.00 0.00 O ATOM 574 CB PHE A 36 -2.355 -8.990 1.905 1.00 0.00 C ATOM 575 CG PHE A 36 -1.369 -7.923 1.426 1.00 0.00 C ATOM 576 CD1 PHE A 36 -1.688 -7.126 0.371 1.00 0.00 C ATOM 577 CD2 PHE A 36 -0.172 -7.772 2.054 1.00 0.00 C ATOM 578 CE1 PHE A 36 -0.773 -6.136 -0.074 1.00 0.00 C ATOM 579 CE2 PHE A 36 0.744 -6.782 1.609 1.00 0.00 C ATOM 580 CZ PHE A 36 0.424 -5.985 0.555 1.00 0.00 C ATOM 0 H PHE A 36 -3.845 -8.026 4.202 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.162 -7.926 1.291 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.976 -9.433 2.826 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.401 -9.787 1.163 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.638 -7.246 -0.128 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.082 -8.405 2.891 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.027 -5.503 -0.911 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.694 -6.662 2.108 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.120 -5.232 0.217 1.00 0.00 H new ATOM 590 N PRO A 37 -6.002 -9.443 2.104 1.00 0.00 N ATOM 591 CA PRO A 37 -6.998 -10.480 2.317 1.00 0.00 C ATOM 592 C PRO A 37 -6.867 -11.589 1.271 1.00 0.00 C ATOM 593 O PRO A 37 -7.277 -12.724 1.510 1.00 0.00 O ATOM 594 CB PRO A 37 -8.335 -9.760 2.255 1.00 0.00 C ATOM 595 CG PRO A 37 -8.065 -8.440 1.552 1.00 0.00 C ATOM 596 CD PRO A 37 -6.561 -8.227 1.520 1.00 0.00 C ATOM 0 HA PRO A 37 -6.878 -10.988 3.274 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.071 -10.350 1.709 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.737 -9.595 3.255 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.470 -8.457 0.540 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.555 -7.621 2.078 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.204 -8.077 0.501 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.274 -7.345 2.092 1.00 0.00 H new ATOM 604 N SER A 38 -6.295 -11.221 0.134 1.00 0.00 N ATOM 605 CA SER A 38 -6.105 -12.171 -0.949 1.00 0.00 C ATOM 606 C SER A 38 -5.087 -13.237 -0.538 1.00 0.00 C ATOM 607 O SER A 38 -5.179 -14.386 -0.967 1.00 0.00 O ATOM 608 CB SER A 38 -5.647 -11.465 -2.227 1.00 0.00 C ATOM 609 OG SER A 38 -6.560 -11.663 -3.303 1.00 0.00 O ATOM 0 H SER A 38 -5.957 -10.279 -0.061 1.00 0.00 H new ATOM 0 HA SER A 38 -7.062 -12.651 -1.154 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.541 -10.398 -2.033 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.663 -11.836 -2.514 1.00 0.00 H new ATOM 0 HG SER A 38 -6.233 -11.195 -4.100 1.00 0.00 H new ATOM 615 N LEU A 39 -4.140 -12.818 0.288 1.00 0.00 N ATOM 616 CA LEU A 39 -3.106 -13.722 0.762 1.00 0.00 C ATOM 617 C LEU A 39 -3.728 -14.749 1.710 1.00 0.00 C ATOM 618 O LEU A 39 -3.164 -15.820 1.928 1.00 0.00 O ATOM 619 CB LEU A 39 -1.949 -12.936 1.381 1.00 0.00 C ATOM 620 CG LEU A 39 -0.593 -13.079 0.685 1.00 0.00 C ATOM 621 CD1 LEU A 39 0.147 -14.323 1.180 1.00 0.00 C ATOM 622 CD2 LEU A 39 -0.754 -13.075 -0.836 1.00 0.00 C ATOM 0 H LEU A 39 -4.067 -11.864 0.641 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.674 -14.277 -0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.219 -11.880 1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.837 -13.249 2.419 1.00 0.00 H new ATOM 0 HG LEU A 39 0.018 -12.215 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.107 -14.402 0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.312 -14.245 2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.450 -15.210 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.224 -13.178 -1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.390 -13.907 -1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.211 -12.137 -1.151 1.00 0.00 H new ATOM 634 N LEU A 40 -4.883 -14.386 2.250 1.00 0.00 N ATOM 635 CA LEU A 40 -5.588 -15.262 3.170 1.00 0.00 C ATOM 636 C LEU A 40 -6.238 -16.403 2.384 1.00 0.00 C ATOM 637 O LEU A 40 -6.449 -17.489 2.921 1.00 0.00 O ATOM 638 CB LEU A 40 -6.574 -14.462 4.022 1.00 0.00 C ATOM 639 CG LEU A 40 -5.957 -13.479 5.018 1.00 0.00 C ATOM 640 CD1 LEU A 40 -7.032 -12.601 5.661 1.00 0.00 C ATOM 641 CD2 LEU A 40 -5.116 -14.214 6.065 1.00 0.00 C ATOM 0 H LEU A 40 -5.348 -13.497 2.068 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.891 -15.716 3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.233 -13.906 3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.199 -15.164 4.574 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.285 -12.817 4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.566 -11.912 6.365 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.550 -12.034 4.887 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.747 -13.231 6.190 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.689 -13.492 6.761 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.747 -14.915 6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.313 -14.759 5.569 1.00 0.00 H new ATOM 653 N LYS A 41 -6.536 -16.117 1.125 1.00 0.00 N ATOM 654 CA LYS A 41 -7.157 -17.105 0.260 1.00 0.00 C ATOM 655 C LYS A 41 -6.152 -18.219 -0.040 1.00 0.00 C ATOM 656 O LYS A 41 -6.538 -19.365 -0.262 1.00 0.00 O ATOM 657 CB LYS A 41 -7.728 -16.438 -0.993 1.00 0.00 C ATOM 658 CG LYS A 41 -6.659 -16.306 -2.079 1.00 0.00 C ATOM 659 CD LYS A 41 -6.855 -17.359 -3.172 1.00 0.00 C ATOM 660 CE LYS A 41 -5.515 -17.764 -3.790 1.00 0.00 C ATOM 661 NZ LYS A 41 -5.100 -16.780 -4.815 1.00 0.00 N ATOM 0 H LYS A 41 -6.359 -15.215 0.683 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.007 -17.569 0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.566 -17.024 -1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.117 -15.452 -0.739 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.702 -15.309 -2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.669 -16.417 -1.636 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.346 -18.237 -2.752 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.513 -16.966 -3.947 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.754 -17.831 -3.012 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.599 -18.753 -4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.189 -17.069 -5.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.819 -16.736 -5.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.000 -15.843 -4.376 1.00 0.00 H new ATOM 675 N GLY A 42 -4.882 -17.842 -0.037 1.00 0.00 N ATOM 676 CA GLY A 42 -3.818 -18.794 -0.306 1.00 0.00 C ATOM 677 C GLY A 42 -4.094 -20.133 0.380 1.00 0.00 C ATOM 678 O GLY A 42 -4.936 -20.216 1.272 1.00 0.00 O ATOM 0 H GLY A 42 -4.566 -16.890 0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.724 -18.945 -1.381 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.868 -18.391 0.044 1.00 0.00 H new ATOM 682 N MET A 43 -3.369 -21.150 -0.063 1.00 0.00 N ATOM 683 CA MET A 43 -3.525 -22.481 0.496 1.00 0.00 C ATOM 684 C MET A 43 -2.951 -22.551 1.913 1.00 0.00 C ATOM 685 O MET A 43 -3.052 -23.582 2.577 1.00 0.00 O ATOM 686 CB MET A 43 -2.810 -23.498 -0.396 1.00 0.00 C ATOM 687 CG MET A 43 -3.391 -23.490 -1.811 1.00 0.00 C ATOM 688 SD MET A 43 -2.094 -23.769 -3.005 1.00 0.00 S ATOM 689 CE MET A 43 -3.009 -23.528 -4.519 1.00 0.00 C ATOM 0 H MET A 43 -2.671 -21.078 -0.804 1.00 0.00 H new ATOM 0 HA MET A 43 -4.589 -22.712 0.543 1.00 0.00 H new ATOM 0 HB2 MET A 43 -1.745 -23.268 -0.435 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.905 -24.495 0.034 1.00 0.00 H new ATOM 0 HG2 MET A 43 -4.154 -24.262 -1.904 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.878 -22.535 -2.008 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.344 -23.666 -5.372 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.822 -24.252 -4.572 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.420 -22.519 -4.539 1.00 0.00 H new ATOM 699 N SER A 44 -2.361 -21.442 2.334 1.00 0.00 N ATOM 700 CA SER A 44 -1.771 -21.365 3.659 1.00 0.00 C ATOM 701 C SER A 44 -2.778 -20.770 4.646 1.00 0.00 C ATOM 702 O SER A 44 -2.936 -19.552 4.719 1.00 0.00 O ATOM 703 CB SER A 44 -0.488 -20.532 3.643 1.00 0.00 C ATOM 704 OG SER A 44 0.520 -21.120 2.826 1.00 0.00 O ATOM 0 H SER A 44 -2.279 -20.589 1.780 1.00 0.00 H new ATOM 0 HA SER A 44 -1.512 -22.375 3.978 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.711 -19.529 3.278 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.113 -20.425 4.661 1.00 0.00 H new ATOM 0 HG SER A 44 1.322 -20.557 2.841 1.00 0.00 H new ATOM 710 N THR A 45 -3.432 -21.657 5.381 1.00 0.00 N ATOM 711 CA THR A 45 -4.419 -21.235 6.361 1.00 0.00 C ATOM 712 C THR A 45 -3.773 -20.332 7.414 1.00 0.00 C ATOM 713 O THR A 45 -2.550 -20.207 7.464 1.00 0.00 O ATOM 714 CB THR A 45 -5.066 -22.489 6.951 1.00 0.00 C ATOM 715 OG1 THR A 45 -3.993 -23.156 7.610 1.00 0.00 O ATOM 716 CG2 THR A 45 -5.514 -23.479 5.873 1.00 0.00 C ATOM 0 H THR A 45 -3.298 -22.666 5.318 1.00 0.00 H new ATOM 0 HA THR A 45 -5.202 -20.634 5.899 1.00 0.00 H new ATOM 0 HB THR A 45 -5.923 -22.203 7.560 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.325 -23.981 8.023 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.966 -24.351 6.345 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.244 -23.000 5.220 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.651 -23.792 5.285 1.00 0.00 H new ATOM 724 N LEU A 46 -4.623 -19.726 8.229 1.00 0.00 N ATOM 725 CA LEU A 46 -4.150 -18.838 9.278 1.00 0.00 C ATOM 726 C LEU A 46 -3.081 -19.556 10.104 1.00 0.00 C ATOM 727 O LEU A 46 -1.919 -19.152 10.108 1.00 0.00 O ATOM 728 CB LEU A 46 -5.324 -18.319 10.110 1.00 0.00 C ATOM 729 CG LEU A 46 -5.114 -16.968 10.797 1.00 0.00 C ATOM 730 CD1 LEU A 46 -4.356 -17.135 12.115 1.00 0.00 C ATOM 731 CD2 LEU A 46 -4.422 -15.978 9.858 1.00 0.00 C ATOM 0 H LEU A 46 -5.637 -19.832 8.185 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.680 -17.954 8.846 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.197 -18.243 9.462 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.558 -19.060 10.874 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.092 -16.552 11.040 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.220 -16.160 12.583 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.925 -17.782 12.783 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.382 -17.583 11.920 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.285 -15.026 10.370 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.451 -16.375 9.563 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.037 -15.827 8.971 1.00 0.00 H new ATOM 743 N ASP A 47 -3.511 -20.608 10.784 1.00 0.00 N ATOM 744 CA ASP A 47 -2.605 -21.386 11.612 1.00 0.00 C ATOM 745 C ASP A 47 -1.307 -21.636 10.843 1.00 0.00 C ATOM 746 O ASP A 47 -0.220 -21.350 11.343 1.00 0.00 O ATOM 747 CB ASP A 47 -3.213 -22.744 11.968 1.00 0.00 C ATOM 748 CG ASP A 47 -3.294 -23.044 13.466 1.00 0.00 C ATOM 749 OD1 ASP A 47 -2.214 -23.237 14.065 1.00 0.00 O ATOM 750 OD2 ASP A 47 -4.433 -23.074 13.979 1.00 0.00 O ATOM 0 H ASP A 47 -4.475 -20.940 10.779 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.418 -20.824 12.527 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.217 -22.797 11.547 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.625 -23.526 11.488 1.00 0.00 H new ATOM 755 N GLU A 48 -1.462 -22.168 9.640 1.00 0.00 N ATOM 756 CA GLU A 48 -0.315 -22.461 8.797 1.00 0.00 C ATOM 757 C GLU A 48 0.545 -21.208 8.619 1.00 0.00 C ATOM 758 O GLU A 48 1.770 -21.274 8.710 1.00 0.00 O ATOM 759 CB GLU A 48 -0.758 -23.019 7.443 1.00 0.00 C ATOM 760 CG GLU A 48 -0.381 -24.496 7.309 1.00 0.00 C ATOM 761 CD GLU A 48 -0.136 -24.869 5.845 1.00 0.00 C ATOM 762 OE1 GLU A 48 0.443 -24.021 5.133 1.00 0.00 O ATOM 763 OE2 GLU A 48 -0.534 -25.993 5.472 1.00 0.00 O ATOM 0 H GLU A 48 -2.365 -22.404 9.228 1.00 0.00 H new ATOM 0 HA GLU A 48 0.287 -23.225 9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.836 -22.904 7.333 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.293 -22.447 6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.515 -24.701 7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.178 -25.117 7.718 1.00 0.00 H new ATOM 770 N LEU A 49 -0.130 -20.096 8.368 1.00 0.00 N ATOM 771 CA LEU A 49 0.558 -18.830 8.176 1.00 0.00 C ATOM 772 C LEU A 49 1.349 -18.488 9.440 1.00 0.00 C ATOM 773 O LEU A 49 2.525 -18.137 9.365 1.00 0.00 O ATOM 774 CB LEU A 49 -0.431 -17.741 7.756 1.00 0.00 C ATOM 775 CG LEU A 49 0.031 -16.814 6.630 1.00 0.00 C ATOM 776 CD1 LEU A 49 -0.355 -17.379 5.261 1.00 0.00 C ATOM 777 CD2 LEU A 49 -0.503 -15.395 6.835 1.00 0.00 C ATOM 0 H LEU A 49 -1.146 -20.045 8.293 1.00 0.00 H new ATOM 0 HA LEU A 49 1.277 -18.907 7.360 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.360 -18.221 7.447 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.663 -17.132 8.630 1.00 0.00 H new ATOM 0 HG LEU A 49 1.119 -16.757 6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.015 -16.701 4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.113 -18.354 5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.438 -17.485 5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.160 -14.756 6.021 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.593 -15.414 6.847 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.137 -15.002 7.784 1.00 0.00 H new ATOM 789 N PHE A 50 0.671 -18.602 10.573 1.00 0.00 N ATOM 790 CA PHE A 50 1.295 -18.308 11.852 1.00 0.00 C ATOM 791 C PHE A 50 2.578 -19.122 12.035 1.00 0.00 C ATOM 792 O PHE A 50 3.628 -18.568 12.359 1.00 0.00 O ATOM 793 CB PHE A 50 0.295 -18.704 12.939 1.00 0.00 C ATOM 794 CG PHE A 50 0.716 -18.294 14.352 1.00 0.00 C ATOM 795 CD1 PHE A 50 1.191 -17.040 14.583 1.00 0.00 C ATOM 796 CD2 PHE A 50 0.617 -19.183 15.376 1.00 0.00 C ATOM 797 CE1 PHE A 50 1.582 -16.660 15.893 1.00 0.00 C ATOM 798 CE2 PHE A 50 1.008 -18.802 16.687 1.00 0.00 C ATOM 799 CZ PHE A 50 1.482 -17.548 16.918 1.00 0.00 C ATOM 0 H PHE A 50 -0.305 -18.894 10.632 1.00 0.00 H new ATOM 0 HA PHE A 50 1.556 -17.251 11.905 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.670 -18.251 12.713 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.154 -19.785 12.912 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.270 -16.334 13.769 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.241 -20.179 15.192 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.959 -15.665 16.076 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.929 -19.508 17.501 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.779 -17.258 17.915 1.00 0.00 H new ATOM 809 N GLU A 51 2.452 -20.423 11.819 1.00 0.00 N ATOM 810 CA GLU A 51 3.588 -21.318 11.956 1.00 0.00 C ATOM 811 C GLU A 51 4.690 -20.932 10.969 1.00 0.00 C ATOM 812 O GLU A 51 5.833 -20.707 11.365 1.00 0.00 O ATOM 813 CB GLU A 51 3.164 -22.776 11.762 1.00 0.00 C ATOM 814 CG GLU A 51 4.285 -23.591 11.114 1.00 0.00 C ATOM 815 CD GLU A 51 5.584 -23.469 11.914 1.00 0.00 C ATOM 816 OE1 GLU A 51 5.500 -23.592 13.155 1.00 0.00 O ATOM 817 OE2 GLU A 51 6.631 -23.256 11.265 1.00 0.00 O ATOM 0 H GLU A 51 1.580 -20.879 11.550 1.00 0.00 H new ATOM 0 HA GLU A 51 3.983 -21.220 12.967 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.902 -23.213 12.725 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.271 -22.819 11.138 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.989 -24.638 11.052 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.448 -23.245 10.093 1.00 0.00 H new ATOM 824 N GLU A 52 4.309 -20.867 9.701 1.00 0.00 N ATOM 825 CA GLU A 52 5.252 -20.511 8.654 1.00 0.00 C ATOM 826 C GLU A 52 5.932 -19.181 8.981 1.00 0.00 C ATOM 827 O GLU A 52 7.159 -19.101 9.025 1.00 0.00 O ATOM 828 CB GLU A 52 4.559 -20.452 7.291 1.00 0.00 C ATOM 829 CG GLU A 52 5.580 -20.278 6.164 1.00 0.00 C ATOM 830 CD GLU A 52 5.278 -21.224 5.000 1.00 0.00 C ATOM 831 OE1 GLU A 52 5.248 -22.447 5.255 1.00 0.00 O ATOM 832 OE2 GLU A 52 5.083 -20.701 3.881 1.00 0.00 O ATOM 0 H GLU A 52 3.361 -21.055 9.375 1.00 0.00 H new ATOM 0 HA GLU A 52 6.018 -21.285 8.603 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.987 -21.366 7.130 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.850 -19.624 7.275 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.566 -19.246 5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.583 -20.472 6.544 1.00 0.00 H new ATOM 839 N LEU A 53 5.106 -18.169 9.203 1.00 0.00 N ATOM 840 CA LEU A 53 5.613 -16.846 9.525 1.00 0.00 C ATOM 841 C LEU A 53 6.614 -16.954 10.677 1.00 0.00 C ATOM 842 O LEU A 53 7.769 -16.555 10.540 1.00 0.00 O ATOM 843 CB LEU A 53 4.458 -15.882 9.803 1.00 0.00 C ATOM 844 CG LEU A 53 3.473 -15.667 8.652 1.00 0.00 C ATOM 845 CD1 LEU A 53 2.074 -15.341 9.181 1.00 0.00 C ATOM 846 CD2 LEU A 53 3.983 -14.596 7.686 1.00 0.00 C ATOM 0 H LEU A 53 4.089 -18.239 9.166 1.00 0.00 H new ATOM 0 HA LEU A 53 6.150 -16.427 8.674 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.903 -16.250 10.666 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.877 -14.915 10.082 1.00 0.00 H new ATOM 0 HG LEU A 53 3.397 -16.598 8.090 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.393 -15.193 8.343 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.717 -16.166 9.797 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.114 -14.432 9.781 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.264 -14.463 6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.107 -13.654 8.220 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.942 -14.907 7.271 1.00 0.00 H new ATOM 858 N ASP A 54 6.134 -17.497 11.786 1.00 0.00 N ATOM 859 CA ASP A 54 6.972 -17.663 12.962 1.00 0.00 C ATOM 860 C ASP A 54 7.934 -18.831 12.735 1.00 0.00 C ATOM 861 O ASP A 54 7.587 -19.984 12.987 1.00 0.00 O ATOM 862 CB ASP A 54 6.129 -17.978 14.199 1.00 0.00 C ATOM 863 CG ASP A 54 6.868 -17.853 15.533 1.00 0.00 C ATOM 864 OD1 ASP A 54 7.215 -16.705 15.884 1.00 0.00 O ATOM 865 OD2 ASP A 54 7.068 -18.909 16.172 1.00 0.00 O ATOM 0 H ASP A 54 5.175 -17.828 11.895 1.00 0.00 H new ATOM 0 HA ASP A 54 7.515 -16.732 13.124 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.268 -17.310 14.214 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.743 -18.993 14.108 1.00 0.00 H new ATOM 870 N LYS A 55 9.125 -18.492 12.263 1.00 0.00 N ATOM 871 CA LYS A 55 10.140 -19.498 12.000 1.00 0.00 C ATOM 872 C LYS A 55 11.250 -19.382 13.047 1.00 0.00 C ATOM 873 O LYS A 55 12.152 -20.217 13.095 1.00 0.00 O ATOM 874 CB LYS A 55 10.641 -19.389 10.559 1.00 0.00 C ATOM 875 CG LYS A 55 11.365 -18.061 10.328 1.00 0.00 C ATOM 876 CD LYS A 55 12.718 -18.285 9.649 1.00 0.00 C ATOM 877 CE LYS A 55 13.657 -17.103 9.896 1.00 0.00 C ATOM 878 NZ LYS A 55 14.971 -17.579 10.385 1.00 0.00 N ATOM 0 H LYS A 55 9.410 -17.535 12.056 1.00 0.00 H new ATOM 0 HA LYS A 55 9.718 -20.499 12.092 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.315 -20.217 10.341 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.800 -19.473 9.871 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.748 -17.409 9.710 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.512 -17.552 11.281 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.172 -19.200 10.028 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.573 -18.421 8.577 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.789 -16.537 8.974 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.214 -16.425 10.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.597 -16.764 10.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.842 -18.100 11.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.399 -18.208 9.675 1.00 0.00 H new ATOM 892 N ASN A 56 11.147 -18.340 13.859 1.00 0.00 N ATOM 893 CA ASN A 56 12.131 -18.105 14.902 1.00 0.00 C ATOM 894 C ASN A 56 11.703 -18.838 16.176 1.00 0.00 C ATOM 895 O ASN A 56 12.249 -18.593 17.250 1.00 0.00 O ATOM 896 CB ASN A 56 12.241 -16.614 15.229 1.00 0.00 C ATOM 897 CG ASN A 56 10.877 -16.034 15.611 1.00 0.00 C ATOM 898 OD1 ASN A 56 9.855 -16.700 15.563 1.00 0.00 O ATOM 899 ND2 ASN A 56 10.918 -14.760 15.990 1.00 0.00 N ATOM 0 H ASN A 56 10.398 -17.649 13.816 1.00 0.00 H new ATOM 0 HA ASN A 56 13.095 -18.468 14.545 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.944 -16.469 16.049 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.640 -16.078 14.368 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.060 -14.281 16.263 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.808 -14.261 16.007 1.00 0.00 H new ATOM 906 N GLY A 57 10.731 -19.722 16.013 1.00 0.00 N ATOM 907 CA GLY A 57 10.224 -20.493 17.136 1.00 0.00 C ATOM 908 C GLY A 57 10.196 -19.648 18.411 1.00 0.00 C ATOM 909 O GLY A 57 10.828 -19.999 19.406 1.00 0.00 O ATOM 0 H GLY A 57 10.280 -19.922 15.120 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.220 -20.853 16.911 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.850 -21.372 17.291 1.00 0.00 H new ATOM 913 N ASP A 58 9.456 -18.552 18.341 1.00 0.00 N ATOM 914 CA ASP A 58 9.337 -17.655 19.478 1.00 0.00 C ATOM 915 C ASP A 58 7.857 -17.440 19.800 1.00 0.00 C ATOM 916 O ASP A 58 7.406 -17.755 20.901 1.00 0.00 O ATOM 917 CB ASP A 58 9.956 -16.290 19.170 1.00 0.00 C ATOM 918 CG ASP A 58 9.276 -15.102 19.853 1.00 0.00 C ATOM 919 OD1 ASP A 58 8.868 -15.277 21.022 1.00 0.00 O ATOM 920 OD2 ASP A 58 9.179 -14.046 19.192 1.00 0.00 O ATOM 0 H ASP A 58 8.932 -18.264 17.514 1.00 0.00 H new ATOM 0 HA ASP A 58 9.861 -18.107 20.320 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.005 -16.308 19.466 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.932 -16.132 18.092 1.00 0.00 H new ATOM 925 N GLY A 59 7.142 -16.907 18.821 1.00 0.00 N ATOM 926 CA GLY A 59 5.722 -16.647 18.987 1.00 0.00 C ATOM 927 C GLY A 59 5.357 -15.252 18.476 1.00 0.00 C ATOM 928 O GLY A 59 4.180 -14.899 18.409 1.00 0.00 O ATOM 0 H GLY A 59 7.519 -16.648 17.909 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.146 -17.398 18.447 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.453 -16.735 20.040 1.00 0.00 H new ATOM 932 N GLU A 60 6.387 -14.495 18.128 1.00 0.00 N ATOM 933 CA GLU A 60 6.189 -13.147 17.624 1.00 0.00 C ATOM 934 C GLU A 60 6.578 -13.069 16.147 1.00 0.00 C ATOM 935 O GLU A 60 7.634 -13.561 15.752 1.00 0.00 O ATOM 936 CB GLU A 60 6.979 -12.131 18.453 1.00 0.00 C ATOM 937 CG GLU A 60 6.526 -12.145 19.914 1.00 0.00 C ATOM 938 CD GLU A 60 7.202 -13.280 20.687 1.00 0.00 C ATOM 939 OE1 GLU A 60 6.673 -14.410 20.613 1.00 0.00 O ATOM 940 OE2 GLU A 60 8.231 -12.991 21.334 1.00 0.00 O ATOM 0 H GLU A 60 7.362 -14.790 18.185 1.00 0.00 H new ATOM 0 HA GLU A 60 5.132 -12.898 17.714 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.043 -12.359 18.396 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.844 -11.133 18.036 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.764 -11.190 20.381 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.443 -12.262 19.962 1.00 0.00 H new ATOM 947 N VAL A 61 5.703 -12.448 15.370 1.00 0.00 N ATOM 948 CA VAL A 61 5.941 -12.299 13.944 1.00 0.00 C ATOM 949 C VAL A 61 6.447 -10.884 13.660 1.00 0.00 C ATOM 950 O VAL A 61 5.814 -10.131 12.922 1.00 0.00 O ATOM 951 CB VAL A 61 4.673 -12.649 13.162 1.00 0.00 C ATOM 952 CG1 VAL A 61 4.790 -12.208 11.702 1.00 0.00 C ATOM 953 CG2 VAL A 61 4.363 -14.144 13.260 1.00 0.00 C ATOM 0 H VAL A 61 4.828 -12.042 15.701 1.00 0.00 H new ATOM 0 HA VAL A 61 6.713 -12.993 13.612 1.00 0.00 H new ATOM 0 HB VAL A 61 3.842 -12.105 13.611 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.876 -12.469 11.169 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.940 -11.129 11.659 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.637 -12.711 11.237 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.457 -14.366 12.696 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.195 -14.716 12.850 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.215 -14.417 14.305 1.00 0.00 H new ATOM 963 N SER A 62 7.584 -10.564 14.262 1.00 0.00 N ATOM 964 CA SER A 62 8.182 -9.252 14.084 1.00 0.00 C ATOM 965 C SER A 62 8.181 -8.874 12.601 1.00 0.00 C ATOM 966 O SER A 62 7.885 -9.706 11.745 1.00 0.00 O ATOM 967 CB SER A 62 9.607 -9.216 14.640 1.00 0.00 C ATOM 968 OG SER A 62 10.166 -10.521 14.759 1.00 0.00 O ATOM 0 H SER A 62 8.106 -11.191 14.874 1.00 0.00 H new ATOM 0 HA SER A 62 7.587 -8.526 14.638 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.236 -8.610 13.987 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.603 -8.733 15.617 1.00 0.00 H new ATOM 0 HG SER A 62 11.076 -10.456 15.116 1.00 0.00 H new ATOM 974 N PHE A 63 8.516 -7.618 12.343 1.00 0.00 N ATOM 975 CA PHE A 63 8.558 -7.120 10.979 1.00 0.00 C ATOM 976 C PHE A 63 9.511 -7.953 10.120 1.00 0.00 C ATOM 977 O PHE A 63 9.449 -7.905 8.892 1.00 0.00 O ATOM 978 CB PHE A 63 9.075 -5.681 11.044 1.00 0.00 C ATOM 979 CG PHE A 63 8.923 -4.906 9.734 1.00 0.00 C ATOM 980 CD1 PHE A 63 7.720 -4.868 9.102 1.00 0.00 C ATOM 981 CD2 PHE A 63 9.991 -4.254 9.202 1.00 0.00 C ATOM 982 CE1 PHE A 63 7.579 -4.148 7.886 1.00 0.00 C ATOM 983 CE2 PHE A 63 9.850 -3.534 7.986 1.00 0.00 C ATOM 984 CZ PHE A 63 8.647 -3.496 7.354 1.00 0.00 C ATOM 0 H PHE A 63 8.761 -6.931 13.056 1.00 0.00 H new ATOM 0 HA PHE A 63 7.566 -7.176 10.532 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.542 -5.150 11.833 1.00 0.00 H new ATOM 0 HB3 PHE A 63 10.128 -5.696 11.325 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.871 -5.385 9.525 1.00 0.00 H new ATOM 0 HD2 PHE A 63 10.947 -4.284 9.704 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.623 -4.118 7.384 1.00 0.00 H new ATOM 0 HE2 PHE A 63 10.699 -3.017 7.563 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.540 -2.948 6.430 1.00 0.00 H new ATOM 994 N GLU A 64 10.370 -8.699 10.799 1.00 0.00 N ATOM 995 CA GLU A 64 11.334 -9.542 10.113 1.00 0.00 C ATOM 996 C GLU A 64 10.618 -10.672 9.370 1.00 0.00 C ATOM 997 O GLU A 64 10.754 -10.803 8.154 1.00 0.00 O ATOM 998 CB GLU A 64 12.369 -10.100 11.092 1.00 0.00 C ATOM 999 CG GLU A 64 12.587 -9.141 12.265 1.00 0.00 C ATOM 1000 CD GLU A 64 12.576 -7.686 11.792 1.00 0.00 C ATOM 1001 OE1 GLU A 64 13.287 -7.404 10.804 1.00 0.00 O ATOM 1002 OE2 GLU A 64 11.856 -6.888 12.431 1.00 0.00 O ATOM 0 H GLU A 64 10.418 -8.737 11.817 1.00 0.00 H new ATOM 0 HA GLU A 64 11.865 -8.932 9.382 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.036 -11.068 11.466 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.313 -10.266 10.573 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.807 -9.290 13.012 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.538 -9.363 12.749 1.00 0.00 H new ATOM 1009 N GLU A 65 9.872 -11.458 10.131 1.00 0.00 N ATOM 1010 CA GLU A 65 9.134 -12.572 9.560 1.00 0.00 C ATOM 1011 C GLU A 65 8.165 -12.072 8.487 1.00 0.00 C ATOM 1012 O GLU A 65 7.829 -12.806 7.559 1.00 0.00 O ATOM 1013 CB GLU A 65 8.393 -13.353 10.647 1.00 0.00 C ATOM 1014 CG GLU A 65 9.376 -13.992 11.630 1.00 0.00 C ATOM 1015 CD GLU A 65 8.893 -13.829 13.073 1.00 0.00 C ATOM 1016 OE1 GLU A 65 8.903 -12.673 13.547 1.00 0.00 O ATOM 1017 OE2 GLU A 65 8.524 -14.865 13.668 1.00 0.00 O ATOM 0 H GLU A 65 9.762 -11.346 11.139 1.00 0.00 H new ATOM 0 HA GLU A 65 9.845 -13.252 9.091 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.719 -12.686 11.184 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.777 -14.127 10.188 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.491 -15.051 11.399 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.358 -13.533 11.518 1.00 0.00 H new ATOM 1024 N PHE A 66 7.744 -10.827 8.649 1.00 0.00 N ATOM 1025 CA PHE A 66 6.820 -10.220 7.705 1.00 0.00 C ATOM 1026 C PHE A 66 7.416 -10.191 6.296 1.00 0.00 C ATOM 1027 O PHE A 66 6.712 -10.425 5.315 1.00 0.00 O ATOM 1028 CB PHE A 66 6.580 -8.784 8.174 1.00 0.00 C ATOM 1029 CG PHE A 66 5.377 -8.107 7.515 1.00 0.00 C ATOM 1030 CD1 PHE A 66 4.163 -8.721 7.523 1.00 0.00 C ATOM 1031 CD2 PHE A 66 5.520 -6.891 6.923 1.00 0.00 C ATOM 1032 CE1 PHE A 66 3.046 -8.093 6.911 1.00 0.00 C ATOM 1033 CE2 PHE A 66 4.403 -6.263 6.311 1.00 0.00 C ATOM 1034 CZ PHE A 66 3.189 -6.877 6.319 1.00 0.00 C ATOM 0 H PHE A 66 8.025 -10.221 9.420 1.00 0.00 H new ATOM 0 HA PHE A 66 5.895 -10.796 7.668 1.00 0.00 H new ATOM 0 HB2 PHE A 66 6.437 -8.785 9.255 1.00 0.00 H new ATOM 0 HB3 PHE A 66 7.473 -8.192 7.971 1.00 0.00 H new ATOM 0 HD1 PHE A 66 4.049 -9.686 7.995 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.483 -6.403 6.918 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.083 -8.581 6.916 1.00 0.00 H new ATOM 0 HE2 PHE A 66 4.517 -5.298 5.839 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.339 -6.399 5.855 1.00 0.00 H new ATOM 1044 N GLN A 67 8.708 -9.902 6.241 1.00 0.00 N ATOM 1045 CA GLN A 67 9.407 -9.840 4.968 1.00 0.00 C ATOM 1046 C GLN A 67 9.330 -11.190 4.253 1.00 0.00 C ATOM 1047 O GLN A 67 9.614 -11.282 3.060 1.00 0.00 O ATOM 1048 CB GLN A 67 10.861 -9.404 5.162 1.00 0.00 C ATOM 1049 CG GLN A 67 10.947 -8.165 6.056 1.00 0.00 C ATOM 1050 CD GLN A 67 12.324 -7.507 5.950 1.00 0.00 C ATOM 1051 OE1 GLN A 67 13.235 -7.788 6.712 1.00 0.00 O ATOM 1052 NE2 GLN A 67 12.425 -6.619 4.966 1.00 0.00 N ATOM 0 H GLN A 67 9.289 -9.708 7.057 1.00 0.00 H new ATOM 0 HA GLN A 67 8.918 -9.092 4.343 1.00 0.00 H new ATOM 0 HB2 GLN A 67 11.432 -10.219 5.607 1.00 0.00 H new ATOM 0 HB3 GLN A 67 11.313 -9.190 4.193 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.176 -7.451 5.769 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.752 -8.445 7.091 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.623 -6.431 4.364 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.304 -6.126 4.813 1.00 0.00 H new ATOM 1061 N VAL A 68 8.945 -12.205 5.014 1.00 0.00 N ATOM 1062 CA VAL A 68 8.828 -13.547 4.468 1.00 0.00 C ATOM 1063 C VAL A 68 7.534 -13.651 3.658 1.00 0.00 C ATOM 1064 O VAL A 68 7.503 -14.299 2.612 1.00 0.00 O ATOM 1065 CB VAL A 68 8.913 -14.579 5.594 1.00 0.00 C ATOM 1066 CG1 VAL A 68 8.994 -15.999 5.030 1.00 0.00 C ATOM 1067 CG2 VAL A 68 10.098 -14.287 6.517 1.00 0.00 C ATOM 0 H VAL A 68 8.710 -12.125 6.003 1.00 0.00 H new ATOM 0 HA VAL A 68 9.655 -13.757 3.790 1.00 0.00 H new ATOM 0 HB VAL A 68 8.001 -14.505 6.187 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.054 -16.714 5.851 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.105 -16.205 4.433 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.881 -16.092 4.403 1.00 0.00 H new ATOM 0 HG21 VAL A 68 10.136 -15.035 7.309 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.024 -14.320 5.942 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.980 -13.297 6.958 1.00 0.00 H new ATOM 1077 N LEU A 69 6.498 -13.004 4.171 1.00 0.00 N ATOM 1078 CA LEU A 69 5.205 -13.017 3.508 1.00 0.00 C ATOM 1079 C LEU A 69 5.241 -12.064 2.312 1.00 0.00 C ATOM 1080 O LEU A 69 4.581 -12.304 1.302 1.00 0.00 O ATOM 1081 CB LEU A 69 4.088 -12.708 4.507 1.00 0.00 C ATOM 1082 CG LEU A 69 2.710 -13.281 4.170 1.00 0.00 C ATOM 1083 CD1 LEU A 69 2.813 -14.751 3.758 1.00 0.00 C ATOM 1084 CD2 LEU A 69 1.733 -13.078 5.331 1.00 0.00 C ATOM 0 H LEU A 69 6.528 -12.467 5.038 1.00 0.00 H new ATOM 0 HA LEU A 69 4.986 -14.011 3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.387 -13.085 5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.997 -11.626 4.597 1.00 0.00 H new ATOM 0 HG LEU A 69 2.312 -12.734 3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.820 -15.134 3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.452 -14.839 2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.241 -15.329 4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.761 -13.494 5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.114 -13.582 6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.628 -12.013 5.536 1.00 0.00 H new ATOM 1096 N VAL A 70 6.019 -11.002 2.464 1.00 0.00 N ATOM 1097 CA VAL A 70 6.150 -10.012 1.409 1.00 0.00 C ATOM 1098 C VAL A 70 6.538 -10.711 0.105 1.00 0.00 C ATOM 1099 O VAL A 70 6.306 -10.182 -0.981 1.00 0.00 O ATOM 1100 CB VAL A 70 7.147 -8.930 1.827 1.00 0.00 C ATOM 1101 CG1 VAL A 70 7.766 -8.252 0.603 1.00 0.00 C ATOM 1102 CG2 VAL A 70 6.486 -7.902 2.748 1.00 0.00 C ATOM 0 H VAL A 70 6.565 -10.806 3.303 1.00 0.00 H new ATOM 0 HA VAL A 70 5.198 -9.509 1.237 1.00 0.00 H new ATOM 0 HB VAL A 70 7.950 -9.412 2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.471 -7.487 0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.289 -8.995 0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.979 -7.790 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.216 -7.144 3.031 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.654 -7.428 2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.116 -8.401 3.644 1.00 0.00 H new ATOM 1112 N LYS A 71 7.123 -11.891 0.255 1.00 0.00 N ATOM 1113 CA LYS A 71 7.547 -12.668 -0.898 1.00 0.00 C ATOM 1114 C LYS A 71 6.313 -13.198 -1.631 1.00 0.00 C ATOM 1115 O LYS A 71 6.208 -13.071 -2.850 1.00 0.00 O ATOM 1116 CB LYS A 71 8.528 -13.762 -0.475 1.00 0.00 C ATOM 1117 CG LYS A 71 9.639 -13.934 -1.512 1.00 0.00 C ATOM 1118 CD LYS A 71 9.482 -15.253 -2.272 1.00 0.00 C ATOM 1119 CE LYS A 71 10.506 -15.359 -3.404 1.00 0.00 C ATOM 1120 NZ LYS A 71 11.605 -16.274 -3.024 1.00 0.00 N ATOM 0 H LYS A 71 7.313 -12.328 1.157 1.00 0.00 H new ATOM 0 HA LYS A 71 8.092 -12.039 -1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.964 -13.510 0.492 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.995 -14.704 -0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.617 -13.101 -2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.610 -13.909 -1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.606 -16.090 -1.585 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.474 -15.323 -2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.020 -15.722 -4.310 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.909 -14.372 -3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.291 -16.335 -3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.079 -15.912 -2.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.218 -17.219 -2.829 1.00 0.00 H new ATOM 1134 N LYS A 72 5.410 -13.782 -0.857 1.00 0.00 N ATOM 1135 CA LYS A 72 4.187 -14.333 -1.417 1.00 0.00 C ATOM 1136 C LYS A 72 3.291 -13.189 -1.896 1.00 0.00 C ATOM 1137 O LYS A 72 2.514 -13.356 -2.835 1.00 0.00 O ATOM 1138 CB LYS A 72 3.509 -15.265 -0.412 1.00 0.00 C ATOM 1139 CG LYS A 72 4.402 -16.465 -0.088 1.00 0.00 C ATOM 1140 CD LYS A 72 5.405 -16.121 1.015 1.00 0.00 C ATOM 1141 CE LYS A 72 5.851 -17.379 1.762 1.00 0.00 C ATOM 1142 NZ LYS A 72 4.704 -18.001 2.462 1.00 0.00 N ATOM 0 H LYS A 72 5.501 -13.886 0.154 1.00 0.00 H new ATOM 0 HA LYS A 72 4.411 -14.950 -2.287 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.284 -14.717 0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.559 -15.613 -0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.785 -17.307 0.226 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.936 -16.778 -0.985 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.273 -15.625 0.580 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.954 -15.418 1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.286 -18.091 1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.629 -17.125 2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.052 -18.573 3.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.071 -17.257 2.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.182 -18.610 1.800 1.00 0.00 H new ATOM 1156 N ILE A 73 3.430 -12.052 -1.230 1.00 0.00 N ATOM 1157 CA ILE A 73 2.642 -10.881 -1.576 1.00 0.00 C ATOM 1158 C ILE A 73 3.191 -10.266 -2.865 1.00 0.00 C ATOM 1159 O ILE A 73 2.540 -9.423 -3.481 1.00 0.00 O ATOM 1160 CB ILE A 73 2.591 -9.903 -0.401 1.00 0.00 C ATOM 1161 CG1 ILE A 73 1.831 -10.507 0.782 1.00 0.00 C ATOM 1162 CG2 ILE A 73 2.004 -8.558 -0.832 1.00 0.00 C ATOM 1163 CD1 ILE A 73 2.383 -9.986 2.111 1.00 0.00 C ATOM 0 H ILE A 73 4.076 -11.917 -0.453 1.00 0.00 H new ATOM 0 HA ILE A 73 1.607 -11.162 -1.771 1.00 0.00 H new ATOM 0 HB ILE A 73 3.612 -9.717 -0.067 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.772 -10.261 0.702 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.909 -11.594 0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.979 -7.881 0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.623 -8.126 -1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.991 -8.706 -1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.826 -10.430 2.936 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.436 -10.255 2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.281 -8.901 2.147 1.00 0.00 H new ATOM 1175 N SER A 74 4.383 -10.711 -3.235 1.00 0.00 N ATOM 1176 CA SER A 74 5.026 -10.214 -4.439 1.00 0.00 C ATOM 1177 C SER A 74 4.634 -11.080 -5.638 1.00 0.00 C ATOM 1178 O SER A 74 4.393 -10.565 -6.728 1.00 0.00 O ATOM 1179 CB SER A 74 6.548 -10.187 -4.279 1.00 0.00 C ATOM 1180 OG SER A 74 7.148 -11.416 -4.678 1.00 0.00 O ATOM 0 H SER A 74 4.920 -11.410 -2.722 1.00 0.00 H new ATOM 0 HA SER A 74 4.687 -9.192 -4.611 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.961 -9.372 -4.874 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.800 -9.982 -3.239 1.00 0.00 H new ATOM 0 HG SER A 74 7.191 -12.024 -3.910 1.00 0.00 H new ATOM 1186 N GLN A 75 4.581 -12.382 -5.395 1.00 0.00 N ATOM 1187 CA GLN A 75 4.222 -13.324 -6.440 1.00 0.00 C ATOM 1188 C GLN A 75 2.742 -13.180 -6.799 1.00 0.00 C ATOM 1189 O GLN A 75 2.392 -13.067 -7.973 1.00 0.00 O ATOM 1190 CB GLN A 75 4.547 -14.759 -6.020 1.00 0.00 C ATOM 1191 CG GLN A 75 5.167 -15.543 -7.179 1.00 0.00 C ATOM 1192 CD GLN A 75 6.547 -14.988 -7.540 1.00 0.00 C ATOM 1193 OE1 GLN A 75 6.789 -14.524 -8.642 1.00 0.00 O ATOM 1194 NE2 GLN A 75 7.435 -15.061 -6.552 1.00 0.00 N ATOM 0 H GLN A 75 4.781 -12.806 -4.489 1.00 0.00 H new ATOM 0 HA GLN A 75 4.815 -13.097 -7.326 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.235 -14.747 -5.175 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.638 -15.258 -5.684 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.254 -16.595 -6.906 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.512 -15.493 -8.049 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.166 -15.462 -5.653 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.385 -14.716 -6.693 1.00 0.00 H new TER 1203 GLN A 75 HETATM 1204 LA LA A 105 9.599 -14.714 15.745 1.00 0.00 LA