USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 619 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 THR OG1 : rot 180:sc= -0.0434 USER MOD Set 1.2: A 63 TYR OH : rot 180:sc= 0.587 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 177:sc= 0.894 (180deg=0.887) USER MOD Single : A 11 THR OG1 : rot -69:sc= -0.862 USER MOD Single : A 12 THR OG1 : rot 68:sc= -0.146 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -170:sc= -0.553 USER MOD Single : A 31 MET CE :methyl -146:sc= 0 (180deg=-0.424) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -171:sc= 0.727 (180deg=0.672) USER MOD Single : A 37 GLN : amide:sc= -1.64! C(o=-1.6!,f=-3.3!) USER MOD Single : A 38 THR OG1 : rot -170:sc= -0.21 USER MOD Single : A 44 GLN : amide:sc= -0.559 K(o=-0.56,f=0) USER MOD Single : A 49 TYR OH : rot -84:sc= 0.342 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.696 USER MOD Single : A 64 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.0026) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0181 USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.27 USER MOD Single : A 74 LYS NZ :NH3+ 168:sc= -0.0227 (180deg=-0.185) USER MOD Single : A 75 THR OG1 : rot 38:sc= 0.11 USER MOD ----------------------------------------------------------------- ATOM 28 N SER A 4 -3.199 -3.366 -1.494 1.00 0.00 N ATOM 29 CA SER A 4 -4.123 -2.277 -1.807 1.00 0.00 C ATOM 30 C SER A 4 -3.515 -1.307 -2.827 1.00 0.00 C ATOM 31 O SER A 4 -2.313 -1.016 -2.791 1.00 0.00 O ATOM 32 CB SER A 4 -4.468 -1.508 -0.513 1.00 0.00 C ATOM 33 OG SER A 4 -4.998 -2.362 0.485 1.00 0.00 O ATOM 0 HA SER A 4 -5.025 -2.709 -2.240 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.572 -1.018 -0.132 1.00 0.00 H new ATOM 0 HB3 SER A 4 -5.189 -0.723 -0.739 1.00 0.00 H new ATOM 0 HG SER A 4 -5.202 -1.839 1.288 1.00 0.00 H new ATOM 39 N LEU A 5 -4.367 -0.815 -3.722 1.00 0.00 N ATOM 40 CA LEU A 5 -4.048 0.231 -4.700 1.00 0.00 C ATOM 41 C LEU A 5 -4.749 1.553 -4.307 1.00 0.00 C ATOM 42 O LEU A 5 -5.887 1.550 -3.819 1.00 0.00 O ATOM 43 CB LEU A 5 -4.417 -0.259 -6.136 1.00 0.00 C ATOM 44 CG LEU A 5 -5.733 -1.100 -6.311 1.00 0.00 C ATOM 45 CD1 LEU A 5 -7.018 -0.243 -6.224 1.00 0.00 C ATOM 46 CD2 LEU A 5 -5.684 -1.914 -7.623 1.00 0.00 C ATOM 0 H LEU A 5 -5.331 -1.141 -3.792 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.977 0.434 -4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.493 0.618 -6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.586 -0.857 -6.509 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.780 -1.793 -5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.891 -0.883 -6.353 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.065 0.244 -5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.004 0.514 -7.008 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.603 -2.490 -7.728 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.583 -1.234 -8.469 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.831 -2.592 -7.599 1.00 0.00 H new ATOM 58 N GLU A 6 -4.046 2.674 -4.499 1.00 0.00 N ATOM 59 CA GLU A 6 -4.522 4.000 -4.086 1.00 0.00 C ATOM 60 C GLU A 6 -5.205 4.691 -5.268 1.00 0.00 C ATOM 61 O GLU A 6 -4.557 5.002 -6.267 1.00 0.00 O ATOM 62 CB GLU A 6 -3.340 4.855 -3.561 1.00 0.00 C ATOM 63 CG GLU A 6 -3.763 6.224 -2.996 1.00 0.00 C ATOM 64 CD GLU A 6 -2.570 7.068 -2.536 1.00 0.00 C ATOM 65 OE1 GLU A 6 -2.226 8.064 -3.206 1.00 0.00 O ATOM 66 OE2 GLU A 6 -1.950 6.724 -1.510 1.00 0.00 O ATOM 0 H GLU A 6 -3.129 2.688 -4.946 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.245 3.887 -3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.818 4.297 -2.783 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.629 5.012 -4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.318 6.771 -3.758 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.441 6.072 -2.156 1.00 0.00 H new ATOM 73 N ILE A 7 -6.512 4.913 -5.159 1.00 0.00 N ATOM 74 CA ILE A 7 -7.308 5.583 -6.204 1.00 0.00 C ATOM 75 C ILE A 7 -7.866 6.918 -5.683 1.00 0.00 C ATOM 76 O ILE A 7 -7.632 7.301 -4.529 1.00 0.00 O ATOM 77 CB ILE A 7 -8.482 4.661 -6.695 1.00 0.00 C ATOM 78 CG1 ILE A 7 -9.468 4.350 -5.521 1.00 0.00 C ATOM 79 CG2 ILE A 7 -7.923 3.360 -7.325 1.00 0.00 C ATOM 80 CD1 ILE A 7 -10.754 3.658 -5.925 1.00 0.00 C ATOM 0 H ILE A 7 -7.058 4.635 -4.344 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.651 5.782 -7.051 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.042 5.191 -7.465 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.953 3.726 -4.790 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.719 5.285 -5.021 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.750 2.733 -7.660 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.290 3.611 -8.176 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.335 2.820 -6.583 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.368 3.487 -5.041 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.299 4.286 -6.630 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.521 2.703 -6.395 1.00 0.00 H new ATOM 92 N LYS A 8 -8.612 7.615 -6.554 1.00 0.00 N ATOM 93 CA LYS A 8 -9.230 8.918 -6.264 1.00 0.00 C ATOM 94 C LYS A 8 -10.706 8.895 -6.683 1.00 0.00 C ATOM 95 O LYS A 8 -11.060 8.196 -7.631 1.00 0.00 O ATOM 96 CB LYS A 8 -8.456 10.049 -7.009 1.00 0.00 C ATOM 97 CG LYS A 8 -6.974 10.228 -6.539 1.00 0.00 C ATOM 98 CD LYS A 8 -5.931 10.002 -7.657 1.00 0.00 C ATOM 99 CE LYS A 8 -5.962 11.102 -8.728 1.00 0.00 C ATOM 100 NZ LYS A 8 -4.892 10.925 -9.747 1.00 0.00 N ATOM 0 H LYS A 8 -8.806 7.282 -7.498 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.179 9.116 -5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.463 9.836 -8.078 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.986 10.991 -6.868 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.849 11.234 -6.137 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.775 9.532 -5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.935 9.958 -7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.113 9.036 -8.129 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.934 11.100 -9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.849 12.075 -8.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.983 11.660 -10.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.961 11.004 -9.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.983 9.987 -10.187 1.00 0.00 H new ATOM 114 N ILE A 9 -11.581 9.604 -5.927 1.00 0.00 N ATOM 115 CA ILE A 9 -13.029 9.703 -6.243 1.00 0.00 C ATOM 116 C ILE A 9 -13.459 11.190 -6.308 1.00 0.00 C ATOM 117 O ILE A 9 -13.599 11.861 -5.278 1.00 0.00 O ATOM 118 CB ILE A 9 -13.979 8.930 -5.220 1.00 0.00 C ATOM 119 CG1 ILE A 9 -13.721 7.374 -5.190 1.00 0.00 C ATOM 120 CG2 ILE A 9 -15.477 9.192 -5.545 1.00 0.00 C ATOM 121 CD1 ILE A 9 -12.489 6.927 -4.427 1.00 0.00 C ATOM 0 H ILE A 9 -11.307 10.118 -5.090 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.151 9.216 -7.210 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.736 9.326 -4.234 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.593 6.888 -4.753 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.639 7.018 -6.217 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.103 8.654 -4.833 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.683 10.260 -5.475 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.696 8.846 -6.555 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.408 5.841 -4.471 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.602 7.375 -4.874 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.570 7.243 -3.387 1.00 0.00 H new ATOM 133 N ARG A 10 -13.614 11.687 -7.534 1.00 0.00 N ATOM 134 CA ARG A 10 -14.239 12.982 -7.840 1.00 0.00 C ATOM 135 C ARG A 10 -15.759 12.927 -7.528 1.00 0.00 C ATOM 136 O ARG A 10 -16.488 12.128 -8.115 1.00 0.00 O ATOM 137 CB ARG A 10 -14.007 13.304 -9.343 1.00 0.00 C ATOM 138 CG ARG A 10 -14.616 14.632 -9.837 1.00 0.00 C ATOM 139 CD ARG A 10 -14.490 14.798 -11.365 1.00 0.00 C ATOM 140 NE ARG A 10 -15.021 16.092 -11.818 1.00 0.00 N ATOM 141 CZ ARG A 10 -15.320 16.406 -13.087 1.00 0.00 C ATOM 142 NH1 ARG A 10 -15.278 15.500 -14.055 1.00 0.00 N ATOM 143 NH2 ARG A 10 -15.691 17.637 -13.373 1.00 0.00 N ATOM 0 H ARG A 10 -13.301 11.190 -8.368 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.793 13.764 -7.225 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.934 13.324 -9.531 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.420 12.490 -9.939 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.668 14.675 -9.554 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.118 15.465 -9.340 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.443 14.713 -11.655 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.025 13.990 -11.864 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.174 16.809 -11.109 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.014 14.538 -13.842 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.510 15.765 -15.012 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.748 18.337 -12.634 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.921 17.890 -14.334 1.00 0.00 H new ATOM 157 N THR A 11 -16.207 13.755 -6.582 1.00 0.00 N ATOM 158 CA THR A 11 -17.619 13.847 -6.169 1.00 0.00 C ATOM 159 C THR A 11 -18.462 14.756 -7.101 1.00 0.00 C ATOM 160 O THR A 11 -17.919 15.469 -7.958 1.00 0.00 O ATOM 161 CB THR A 11 -17.674 14.425 -4.726 1.00 0.00 C ATOM 162 OG1 THR A 11 -17.154 15.761 -4.746 1.00 0.00 O ATOM 163 CG2 THR A 11 -16.847 13.592 -3.737 1.00 0.00 C ATOM 0 H THR A 11 -15.595 14.391 -6.071 1.00 0.00 H new ATOM 0 HA THR A 11 -18.043 12.844 -6.221 1.00 0.00 H new ATOM 0 HB THR A 11 -18.713 14.406 -4.396 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.191 15.735 -4.927 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.916 14.034 -2.743 1.00 0.00 H new ATOM 0 HG22 THR A 11 -17.232 12.573 -3.709 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.805 13.577 -4.056 1.00 0.00 H new ATOM 171 N THR A 12 -19.798 14.733 -6.887 1.00 0.00 N ATOM 172 CA THR A 12 -20.739 15.723 -7.463 1.00 0.00 C ATOM 173 C THR A 12 -20.511 17.128 -6.855 1.00 0.00 C ATOM 174 O THR A 12 -20.905 18.142 -7.444 1.00 0.00 O ATOM 175 CB THR A 12 -22.226 15.292 -7.214 1.00 0.00 C ATOM 176 OG1 THR A 12 -22.363 14.813 -5.865 1.00 0.00 O ATOM 177 CG2 THR A 12 -22.700 14.213 -8.197 1.00 0.00 C ATOM 0 H THR A 12 -20.255 14.027 -6.310 1.00 0.00 H new ATOM 0 HA THR A 12 -20.549 15.763 -8.536 1.00 0.00 H new ATOM 0 HB THR A 12 -22.853 16.169 -7.374 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.248 15.559 -5.240 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.736 13.952 -7.979 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.628 14.592 -9.216 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.073 13.327 -8.095 1.00 0.00 H new ATOM 185 N GLU A 13 -19.869 17.163 -5.667 1.00 0.00 N ATOM 186 CA GLU A 13 -19.527 18.413 -4.957 1.00 0.00 C ATOM 187 C GLU A 13 -18.434 19.196 -5.725 1.00 0.00 C ATOM 188 O GLU A 13 -18.229 20.390 -5.489 1.00 0.00 O ATOM 189 CB GLU A 13 -19.048 18.113 -3.501 1.00 0.00 C ATOM 190 CG GLU A 13 -19.872 17.047 -2.735 1.00 0.00 C ATOM 191 CD GLU A 13 -21.392 17.305 -2.743 1.00 0.00 C ATOM 192 OE1 GLU A 13 -21.843 18.264 -2.087 1.00 0.00 O ATOM 193 OE2 GLU A 13 -22.136 16.548 -3.402 1.00 0.00 O ATOM 0 H GLU A 13 -19.573 16.322 -5.172 1.00 0.00 H new ATOM 0 HA GLU A 13 -20.427 19.026 -4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -18.009 17.786 -3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -19.069 19.042 -2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -19.678 16.068 -3.173 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -19.526 17.008 -1.702 1.00 0.00 H new ATOM 200 N GLY A 14 -17.733 18.494 -6.642 1.00 0.00 N ATOM 201 CA GLY A 14 -16.718 19.108 -7.508 1.00 0.00 C ATOM 202 C GLY A 14 -15.315 19.048 -6.917 1.00 0.00 C ATOM 203 O GLY A 14 -14.417 19.779 -7.347 1.00 0.00 O ATOM 0 H GLY A 14 -17.858 17.494 -6.798 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.721 18.605 -8.475 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -16.985 20.149 -7.690 1.00 0.00 H new ATOM 207 N ARG A 15 -15.139 18.175 -5.919 1.00 0.00 N ATOM 208 CA ARG A 15 -13.847 17.943 -5.239 1.00 0.00 C ATOM 209 C ARG A 15 -13.384 16.505 -5.511 1.00 0.00 C ATOM 210 O ARG A 15 -14.213 15.635 -5.780 1.00 0.00 O ATOM 211 CB ARG A 15 -14.013 18.179 -3.712 1.00 0.00 C ATOM 212 CG ARG A 15 -15.021 17.224 -3.035 1.00 0.00 C ATOM 213 CD ARG A 15 -15.265 17.547 -1.562 1.00 0.00 C ATOM 214 NE ARG A 15 -15.823 18.911 -1.402 1.00 0.00 N ATOM 215 CZ ARG A 15 -16.822 19.267 -0.575 1.00 0.00 C ATOM 216 NH1 ARG A 15 -17.393 18.393 0.234 1.00 0.00 N ATOM 217 NH2 ARG A 15 -17.247 20.519 -0.574 1.00 0.00 N ATOM 0 H ARG A 15 -15.896 17.599 -5.551 1.00 0.00 H new ATOM 0 HA ARG A 15 -13.097 18.636 -5.620 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -13.042 18.067 -3.230 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -14.335 19.207 -3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.969 17.268 -3.571 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -14.654 16.201 -3.119 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -15.952 16.817 -1.135 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -14.330 17.466 -1.009 1.00 0.00 H new ATOM 0 HE ARG A 15 -15.411 19.649 -1.973 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -17.078 17.423 0.241 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -18.149 18.688 0.852 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -16.818 21.204 -1.196 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -18.004 20.800 0.049 1.00 0.00 H new ATOM 231 N THR A 16 -12.071 16.257 -5.443 1.00 0.00 N ATOM 232 CA THR A 16 -11.502 14.916 -5.649 1.00 0.00 C ATOM 233 C THR A 16 -10.925 14.384 -4.325 1.00 0.00 C ATOM 234 O THR A 16 -10.212 15.096 -3.617 1.00 0.00 O ATOM 235 CB THR A 16 -10.407 14.942 -6.762 1.00 0.00 C ATOM 236 OG1 THR A 16 -10.953 15.547 -7.947 1.00 0.00 O ATOM 237 CG2 THR A 16 -9.897 13.531 -7.108 1.00 0.00 C ATOM 0 H THR A 16 -11.374 16.975 -5.245 1.00 0.00 H new ATOM 0 HA THR A 16 -12.295 14.246 -5.980 1.00 0.00 H new ATOM 0 HB THR A 16 -9.563 15.519 -6.384 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.269 15.568 -8.649 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.137 13.600 -7.886 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.465 13.072 -6.219 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.727 12.921 -7.464 1.00 0.00 H new ATOM 245 N LEU A 17 -11.272 13.133 -4.000 1.00 0.00 N ATOM 246 CA LEU A 17 -10.849 12.437 -2.769 1.00 0.00 C ATOM 247 C LEU A 17 -9.701 11.490 -3.105 1.00 0.00 C ATOM 248 O LEU A 17 -9.453 11.244 -4.272 1.00 0.00 O ATOM 249 CB LEU A 17 -12.053 11.647 -2.191 1.00 0.00 C ATOM 250 CG LEU A 17 -13.355 12.489 -1.991 1.00 0.00 C ATOM 251 CD1 LEU A 17 -14.543 11.599 -1.597 1.00 0.00 C ATOM 252 CD2 LEU A 17 -13.143 13.637 -0.975 1.00 0.00 C ATOM 0 H LEU A 17 -11.868 12.559 -4.596 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.510 13.157 -2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.275 10.813 -2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.762 11.220 -1.231 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.595 12.949 -2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -15.432 12.216 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.724 10.865 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.318 11.084 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -14.070 14.199 -0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.852 13.220 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.357 14.301 -1.335 1.00 0.00 H new ATOM 264 N THR A 18 -8.989 10.983 -2.094 1.00 0.00 N ATOM 265 CA THR A 18 -7.949 9.956 -2.286 1.00 0.00 C ATOM 266 C THR A 18 -8.121 8.864 -1.219 1.00 0.00 C ATOM 267 O THR A 18 -8.042 9.157 -0.014 1.00 0.00 O ATOM 268 CB THR A 18 -6.512 10.569 -2.198 1.00 0.00 C ATOM 269 OG1 THR A 18 -6.402 11.691 -3.079 1.00 0.00 O ATOM 270 CG2 THR A 18 -5.421 9.539 -2.551 1.00 0.00 C ATOM 0 H THR A 18 -9.113 11.268 -1.123 1.00 0.00 H new ATOM 0 HA THR A 18 -8.063 9.529 -3.282 1.00 0.00 H new ATOM 0 HB THR A 18 -6.359 10.885 -1.166 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.500 12.069 -3.016 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.440 10.008 -2.477 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.475 8.700 -1.858 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.575 9.180 -3.568 1.00 0.00 H new ATOM 278 N VAL A 19 -8.379 7.615 -1.660 1.00 0.00 N ATOM 279 CA VAL A 19 -8.589 6.460 -0.761 1.00 0.00 C ATOM 280 C VAL A 19 -7.651 5.302 -1.167 1.00 0.00 C ATOM 281 O VAL A 19 -7.355 5.120 -2.355 1.00 0.00 O ATOM 282 CB VAL A 19 -10.102 5.981 -0.753 1.00 0.00 C ATOM 283 CG1 VAL A 19 -11.068 7.154 -0.434 1.00 0.00 C ATOM 284 CG2 VAL A 19 -10.505 5.284 -2.071 1.00 0.00 C ATOM 0 H VAL A 19 -8.448 7.378 -2.650 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.350 6.777 0.254 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.188 5.242 0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.095 6.790 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.831 7.564 0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.957 7.932 -1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.549 4.975 -2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.375 5.976 -2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.875 4.408 -2.227 1.00 0.00 H new ATOM 294 N ASP A 20 -7.172 4.535 -0.174 1.00 0.00 N ATOM 295 CA ASP A 20 -6.316 3.355 -0.399 1.00 0.00 C ATOM 296 C ASP A 20 -7.148 2.080 -0.135 1.00 0.00 C ATOM 297 O ASP A 20 -7.563 1.806 0.998 1.00 0.00 O ATOM 298 CB ASP A 20 -5.034 3.424 0.486 1.00 0.00 C ATOM 299 CG ASP A 20 -5.308 3.463 2.004 1.00 0.00 C ATOM 300 OD1 ASP A 20 -5.731 4.525 2.521 1.00 0.00 O ATOM 301 OD2 ASP A 20 -5.100 2.437 2.692 1.00 0.00 O ATOM 0 H ASP A 20 -7.367 4.715 0.811 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.972 3.333 -1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.408 2.560 0.264 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.464 4.311 0.209 1.00 0.00 H new ATOM 306 N VAL A 21 -7.439 1.329 -1.207 1.00 0.00 N ATOM 307 CA VAL A 21 -8.363 0.168 -1.184 1.00 0.00 C ATOM 308 C VAL A 21 -7.793 -1.001 -1.997 1.00 0.00 C ATOM 309 O VAL A 21 -7.060 -0.791 -2.955 1.00 0.00 O ATOM 310 CB VAL A 21 -9.780 0.549 -1.760 1.00 0.00 C ATOM 311 CG1 VAL A 21 -10.578 1.440 -0.778 1.00 0.00 C ATOM 312 CG2 VAL A 21 -9.642 1.241 -3.145 1.00 0.00 C ATOM 0 H VAL A 21 -7.039 1.506 -2.128 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.472 -0.132 -0.142 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.341 -0.377 -1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.549 1.681 -1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.723 0.907 0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.026 2.361 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.631 1.496 -3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.049 2.149 -3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.149 0.564 -3.843 1.00 0.00 H new ATOM 322 N LYS A 22 -8.144 -2.230 -1.601 1.00 0.00 N ATOM 323 CA LYS A 22 -7.741 -3.450 -2.315 1.00 0.00 C ATOM 324 C LYS A 22 -8.582 -3.611 -3.600 1.00 0.00 C ATOM 325 O LYS A 22 -9.753 -3.231 -3.604 1.00 0.00 O ATOM 326 CB LYS A 22 -7.933 -4.687 -1.398 1.00 0.00 C ATOM 327 CG LYS A 22 -7.150 -4.620 -0.068 1.00 0.00 C ATOM 328 CD LYS A 22 -7.447 -5.812 0.866 1.00 0.00 C ATOM 329 CE LYS A 22 -7.042 -7.165 0.259 1.00 0.00 C ATOM 330 NZ LYS A 22 -7.299 -8.296 1.191 1.00 0.00 N ATOM 0 H LYS A 22 -8.716 -2.408 -0.776 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.689 -3.370 -2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.994 -4.799 -1.176 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.625 -5.580 -1.943 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.082 -4.591 -0.283 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.397 -3.692 0.447 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.917 -5.669 1.808 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.512 -5.828 1.098 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.594 -7.326 -0.667 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.984 -7.143 -0.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.011 -9.189 0.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.753 -8.157 2.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.313 -8.334 1.419 1.00 0.00 H new ATOM 344 N PRO A 23 -8.010 -4.194 -4.702 1.00 0.00 N ATOM 345 CA PRO A 23 -8.795 -4.550 -5.918 1.00 0.00 C ATOM 346 C PRO A 23 -9.842 -5.648 -5.606 1.00 0.00 C ATOM 347 O PRO A 23 -10.843 -5.801 -6.308 1.00 0.00 O ATOM 348 CB PRO A 23 -7.707 -5.039 -6.916 1.00 0.00 C ATOM 349 CG PRO A 23 -6.557 -5.469 -6.046 1.00 0.00 C ATOM 350 CD PRO A 23 -6.572 -4.538 -4.856 1.00 0.00 C ATOM 0 HA PRO A 23 -9.378 -3.719 -6.316 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.072 -5.865 -7.527 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.411 -4.244 -7.600 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.670 -6.507 -5.732 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.612 -5.400 -6.585 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.177 -5.022 -3.963 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.964 -3.651 -5.033 1.00 0.00 H new ATOM 358 N ASP A 24 -9.586 -6.372 -4.505 1.00 0.00 N ATOM 359 CA ASP A 24 -10.456 -7.428 -3.968 1.00 0.00 C ATOM 360 C ASP A 24 -11.806 -6.873 -3.471 1.00 0.00 C ATOM 361 O ASP A 24 -12.806 -7.595 -3.455 1.00 0.00 O ATOM 362 CB ASP A 24 -9.730 -8.132 -2.794 1.00 0.00 C ATOM 363 CG ASP A 24 -8.347 -8.669 -3.189 1.00 0.00 C ATOM 364 OD1 ASP A 24 -8.244 -9.843 -3.596 1.00 0.00 O ATOM 365 OD2 ASP A 24 -7.354 -7.908 -3.107 1.00 0.00 O ATOM 0 H ASP A 24 -8.743 -6.234 -3.948 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.665 -8.132 -4.774 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.620 -7.430 -1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.346 -8.956 -2.433 1.00 0.00 H new ATOM 370 N ARG A 25 -11.808 -5.582 -3.075 1.00 0.00 N ATOM 371 CA ARG A 25 -12.969 -4.904 -2.461 1.00 0.00 C ATOM 372 C ARG A 25 -14.147 -4.772 -3.441 1.00 0.00 C ATOM 373 O ARG A 25 -13.964 -4.877 -4.651 1.00 0.00 O ATOM 374 CB ARG A 25 -12.540 -3.502 -1.931 1.00 0.00 C ATOM 375 CG ARG A 25 -11.517 -3.543 -0.771 1.00 0.00 C ATOM 376 CD ARG A 25 -12.078 -4.236 0.480 1.00 0.00 C ATOM 377 NE ARG A 25 -11.059 -4.425 1.527 1.00 0.00 N ATOM 378 CZ ARG A 25 -11.328 -4.649 2.825 1.00 0.00 C ATOM 379 NH1 ARG A 25 -12.570 -4.567 3.286 1.00 0.00 N ATOM 380 NH2 ARG A 25 -10.344 -4.927 3.667 1.00 0.00 N ATOM 0 H ARG A 25 -10.994 -4.975 -3.174 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.313 -5.518 -1.629 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.114 -2.930 -2.755 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -13.428 -2.966 -1.597 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.619 -4.065 -1.100 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.219 -2.526 -0.517 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.900 -3.644 0.881 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -12.490 -5.205 0.200 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.079 -4.383 1.247 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -13.334 -4.332 2.653 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -12.760 -4.739 4.273 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.382 -4.971 3.331 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.548 -5.097 4.652 1.00 0.00 H new ATOM 394 N THR A 26 -15.355 -4.562 -2.895 1.00 0.00 N ATOM 395 CA THR A 26 -16.566 -4.272 -3.684 1.00 0.00 C ATOM 396 C THR A 26 -16.679 -2.759 -3.907 1.00 0.00 C ATOM 397 O THR A 26 -16.027 -1.967 -3.214 1.00 0.00 O ATOM 398 CB THR A 26 -17.868 -4.804 -2.987 1.00 0.00 C ATOM 399 OG1 THR A 26 -17.956 -4.296 -1.645 1.00 0.00 O ATOM 400 CG2 THR A 26 -17.925 -6.342 -2.954 1.00 0.00 C ATOM 0 H THR A 26 -15.522 -4.588 -1.889 1.00 0.00 H new ATOM 0 HA THR A 26 -16.472 -4.789 -4.639 1.00 0.00 H new ATOM 0 HB THR A 26 -18.713 -4.449 -3.577 1.00 0.00 H new ATOM 0 HG1 THR A 26 -18.680 -4.754 -1.169 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.844 -6.662 -2.462 1.00 0.00 H new ATOM 0 HG22 THR A 26 -17.905 -6.729 -3.973 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.066 -6.726 -2.403 1.00 0.00 H new ATOM 408 N ILE A 27 -17.492 -2.358 -4.889 1.00 0.00 N ATOM 409 CA ILE A 27 -17.756 -0.936 -5.172 1.00 0.00 C ATOM 410 C ILE A 27 -18.515 -0.299 -3.977 1.00 0.00 C ATOM 411 O ILE A 27 -18.385 0.898 -3.728 1.00 0.00 O ATOM 412 CB ILE A 27 -18.546 -0.777 -6.529 1.00 0.00 C ATOM 413 CG1 ILE A 27 -17.728 -1.359 -7.729 1.00 0.00 C ATOM 414 CG2 ILE A 27 -18.967 0.686 -6.808 1.00 0.00 C ATOM 415 CD1 ILE A 27 -16.393 -0.683 -8.003 1.00 0.00 C ATOM 0 H ILE A 27 -17.985 -3.001 -5.509 1.00 0.00 H new ATOM 0 HA ILE A 27 -16.811 -0.407 -5.291 1.00 0.00 H new ATOM 0 HB ILE A 27 -19.464 -1.354 -6.422 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.548 -2.418 -7.543 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.340 -1.293 -8.629 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.506 0.735 -7.754 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -19.612 1.039 -6.003 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -18.079 1.316 -6.864 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -15.910 -1.164 -8.854 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -16.558 0.371 -8.227 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.753 -0.771 -7.125 1.00 0.00 H new ATOM 427 N GLU A 28 -19.260 -1.148 -3.222 1.00 0.00 N ATOM 428 CA GLU A 28 -19.896 -0.773 -1.931 1.00 0.00 C ATOM 429 C GLU A 28 -18.878 -0.147 -0.964 1.00 0.00 C ATOM 430 O GLU A 28 -19.170 0.866 -0.324 1.00 0.00 O ATOM 431 CB GLU A 28 -20.511 -2.021 -1.253 1.00 0.00 C ATOM 432 CG GLU A 28 -21.582 -2.730 -2.085 1.00 0.00 C ATOM 433 CD GLU A 28 -22.059 -4.052 -1.479 1.00 0.00 C ATOM 434 OE1 GLU A 28 -23.250 -4.164 -1.121 1.00 0.00 O ATOM 435 OE2 GLU A 28 -21.235 -4.987 -1.359 1.00 0.00 O ATOM 0 H GLU A 28 -19.437 -2.115 -3.493 1.00 0.00 H new ATOM 0 HA GLU A 28 -20.673 -0.042 -2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -19.713 -2.729 -1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -20.947 -1.723 -0.299 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -22.438 -2.065 -2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -21.187 -2.920 -3.083 1.00 0.00 H new ATOM 442 N GLU A 29 -17.685 -0.785 -0.883 1.00 0.00 N ATOM 443 CA GLU A 29 -16.556 -0.313 -0.059 1.00 0.00 C ATOM 444 C GLU A 29 -16.201 1.122 -0.430 1.00 0.00 C ATOM 445 O GLU A 29 -16.047 1.952 0.443 1.00 0.00 O ATOM 446 CB GLU A 29 -15.311 -1.227 -0.240 1.00 0.00 C ATOM 447 CG GLU A 29 -15.519 -2.700 0.161 1.00 0.00 C ATOM 448 CD GLU A 29 -15.634 -2.914 1.679 1.00 0.00 C ATOM 449 OE1 GLU A 29 -14.638 -2.657 2.396 1.00 0.00 O ATOM 450 OE2 GLU A 29 -16.687 -3.363 2.159 1.00 0.00 O ATOM 0 H GLU A 29 -17.483 -1.646 -1.392 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.861 -0.352 0.987 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.002 -1.191 -1.285 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.490 -0.818 0.350 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.423 -3.075 -0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.687 -3.292 -0.219 1.00 0.00 H new ATOM 457 N LEU A 30 -16.124 1.396 -1.748 1.00 0.00 N ATOM 458 CA LEU A 30 -15.777 2.727 -2.279 1.00 0.00 C ATOM 459 C LEU A 30 -16.814 3.773 -1.867 1.00 0.00 C ATOM 460 O LEU A 30 -16.448 4.883 -1.499 1.00 0.00 O ATOM 461 CB LEU A 30 -15.655 2.691 -3.821 1.00 0.00 C ATOM 462 CG LEU A 30 -14.624 1.678 -4.388 1.00 0.00 C ATOM 463 CD1 LEU A 30 -14.564 1.739 -5.929 1.00 0.00 C ATOM 464 CD2 LEU A 30 -13.231 1.889 -3.758 1.00 0.00 C ATOM 0 H LEU A 30 -16.301 0.700 -2.473 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.813 3.007 -1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.634 2.459 -4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.388 3.688 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 30 -14.959 0.677 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.833 1.018 -6.293 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.545 1.501 -6.341 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.272 2.741 -6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.530 1.165 -4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.882 2.899 -3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.295 1.752 -2.679 1.00 0.00 H new ATOM 476 N MET A 31 -18.101 3.385 -1.938 1.00 0.00 N ATOM 477 CA MET A 31 -19.244 4.236 -1.550 1.00 0.00 C ATOM 478 C MET A 31 -19.146 4.635 -0.059 1.00 0.00 C ATOM 479 O MET A 31 -19.505 5.753 0.328 1.00 0.00 O ATOM 480 CB MET A 31 -20.589 3.514 -1.861 1.00 0.00 C ATOM 481 CG MET A 31 -20.696 2.965 -3.294 1.00 0.00 C ATOM 482 SD MET A 31 -22.385 2.597 -3.820 1.00 0.00 S ATOM 483 CE MET A 31 -22.982 4.239 -4.216 1.00 0.00 C ATOM 0 H MET A 31 -18.381 2.462 -2.270 1.00 0.00 H new ATOM 0 HA MET A 31 -19.213 5.153 -2.139 1.00 0.00 H new ATOM 0 HB2 MET A 31 -20.717 2.690 -1.158 1.00 0.00 H new ATOM 0 HB3 MET A 31 -21.410 4.210 -1.689 1.00 0.00 H new ATOM 0 HG2 MET A 31 -20.263 3.690 -3.983 1.00 0.00 H new ATOM 0 HG3 MET A 31 -20.098 2.057 -3.369 1.00 0.00 H new ATOM 0 HE1 MET A 31 -24.042 4.310 -3.972 1.00 0.00 H new ATOM 0 HE2 MET A 31 -22.426 4.977 -3.638 1.00 0.00 H new ATOM 0 HE3 MET A 31 -22.841 4.430 -5.280 1.00 0.00 H new ATOM 493 N GLU A 32 -18.616 3.710 0.750 1.00 0.00 N ATOM 494 CA GLU A 32 -18.349 3.935 2.179 1.00 0.00 C ATOM 495 C GLU A 32 -17.149 4.880 2.378 1.00 0.00 C ATOM 496 O GLU A 32 -17.194 5.773 3.229 1.00 0.00 O ATOM 497 CB GLU A 32 -18.075 2.579 2.865 1.00 0.00 C ATOM 498 CG GLU A 32 -19.274 1.609 2.844 1.00 0.00 C ATOM 499 CD GLU A 32 -18.928 0.200 3.342 1.00 0.00 C ATOM 500 OE1 GLU A 32 -18.830 -0.002 4.569 1.00 0.00 O ATOM 501 OE2 GLU A 32 -18.735 -0.712 2.516 1.00 0.00 O ATOM 0 H GLU A 32 -18.358 2.776 0.431 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.223 4.406 2.628 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -17.226 2.101 2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.786 2.760 3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -20.073 2.018 3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -19.660 1.542 1.827 1.00 0.00 H new ATOM 508 N LYS A 33 -16.079 4.660 1.582 1.00 0.00 N ATOM 509 CA LYS A 33 -14.830 5.445 1.687 1.00 0.00 C ATOM 510 C LYS A 33 -15.098 6.928 1.361 1.00 0.00 C ATOM 511 O LYS A 33 -14.701 7.809 2.110 1.00 0.00 O ATOM 512 CB LYS A 33 -13.697 4.910 0.755 1.00 0.00 C ATOM 513 CG LYS A 33 -13.384 3.395 0.821 1.00 0.00 C ATOM 514 CD LYS A 33 -13.323 2.819 2.256 1.00 0.00 C ATOM 515 CE LYS A 33 -12.969 1.315 2.269 1.00 0.00 C ATOM 516 NZ LYS A 33 -13.023 0.731 3.637 1.00 0.00 N ATOM 0 H LYS A 33 -16.056 3.942 0.857 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.487 5.341 2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.961 5.156 -0.274 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.782 5.455 0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -14.144 2.854 0.257 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.430 3.211 0.327 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.582 3.370 2.835 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.285 2.968 2.746 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.659 0.777 1.620 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.970 1.176 1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.778 -0.279 3.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.346 1.225 4.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.983 0.838 4.022 1.00 0.00 H new ATOM 530 N LEU A 34 -15.798 7.182 0.241 1.00 0.00 N ATOM 531 CA LEU A 34 -16.124 8.551 -0.199 1.00 0.00 C ATOM 532 C LEU A 34 -17.082 9.226 0.796 1.00 0.00 C ATOM 533 O LEU A 34 -16.970 10.425 1.037 1.00 0.00 O ATOM 534 CB LEU A 34 -16.667 8.554 -1.667 1.00 0.00 C ATOM 535 CG LEU A 34 -17.948 7.696 -1.972 1.00 0.00 C ATOM 536 CD1 LEU A 34 -19.272 8.466 -1.741 1.00 0.00 C ATOM 537 CD2 LEU A 34 -17.897 7.091 -3.394 1.00 0.00 C ATOM 0 H LEU A 34 -16.151 6.453 -0.379 1.00 0.00 H new ATOM 0 HA LEU A 34 -15.210 9.146 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -16.881 9.586 -1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -15.867 8.208 -2.322 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.940 6.880 -1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -20.116 7.815 -1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.331 8.784 -0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -19.302 9.341 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.798 6.504 -3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.836 7.894 -4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -17.021 6.448 -3.485 1.00 0.00 H new ATOM 549 N LYS A 35 -17.991 8.432 1.397 1.00 0.00 N ATOM 550 CA LYS A 35 -18.918 8.914 2.443 1.00 0.00 C ATOM 551 C LYS A 35 -18.154 9.499 3.655 1.00 0.00 C ATOM 552 O LYS A 35 -18.445 10.608 4.091 1.00 0.00 O ATOM 553 CB LYS A 35 -19.867 7.762 2.886 1.00 0.00 C ATOM 554 CG LYS A 35 -20.690 8.024 4.175 1.00 0.00 C ATOM 555 CD LYS A 35 -21.620 9.258 4.080 1.00 0.00 C ATOM 556 CE LYS A 35 -22.252 9.621 5.433 1.00 0.00 C ATOM 557 NZ LYS A 35 -23.178 10.776 5.319 1.00 0.00 N ATOM 0 H LYS A 35 -18.104 7.443 1.173 1.00 0.00 H new ATOM 0 HA LYS A 35 -19.517 9.721 2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -20.560 7.554 2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -19.270 6.862 3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -21.292 7.143 4.396 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.005 8.160 5.012 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -21.052 10.110 3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -22.409 9.060 3.355 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -22.793 8.759 5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -21.465 9.856 6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -23.465 11.086 6.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -22.699 11.558 4.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -24.020 10.494 4.778 1.00 0.00 H new ATOM 571 N GLU A 36 -17.178 8.752 4.186 1.00 0.00 N ATOM 572 CA GLU A 36 -16.412 9.179 5.379 1.00 0.00 C ATOM 573 C GLU A 36 -15.413 10.313 5.043 1.00 0.00 C ATOM 574 O GLU A 36 -14.972 11.037 5.940 1.00 0.00 O ATOM 575 CB GLU A 36 -15.688 7.971 6.024 1.00 0.00 C ATOM 576 CG GLU A 36 -14.682 7.265 5.103 1.00 0.00 C ATOM 577 CD GLU A 36 -13.968 6.082 5.764 1.00 0.00 C ATOM 578 OE1 GLU A 36 -12.866 6.274 6.321 1.00 0.00 O ATOM 579 OE2 GLU A 36 -14.513 4.961 5.750 1.00 0.00 O ATOM 0 H GLU A 36 -16.895 7.846 3.812 1.00 0.00 H new ATOM 0 HA GLU A 36 -17.122 9.580 6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.166 8.312 6.918 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.435 7.247 6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.203 6.912 4.213 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.937 7.988 4.771 1.00 0.00 H new ATOM 586 N GLN A 37 -15.064 10.455 3.747 1.00 0.00 N ATOM 587 CA GLN A 37 -14.168 11.526 3.264 1.00 0.00 C ATOM 588 C GLN A 37 -14.919 12.874 3.146 1.00 0.00 C ATOM 589 O GLN A 37 -14.686 13.793 3.939 1.00 0.00 O ATOM 590 CB GLN A 37 -13.542 11.133 1.893 1.00 0.00 C ATOM 591 CG GLN A 37 -12.534 9.959 1.920 1.00 0.00 C ATOM 592 CD GLN A 37 -11.167 10.303 2.527 1.00 0.00 C ATOM 593 OE1 GLN A 37 -11.049 11.132 3.427 1.00 0.00 O ATOM 594 NE2 GLN A 37 -10.113 9.701 2.001 1.00 0.00 N ATOM 0 H GLN A 37 -15.394 9.833 3.009 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.368 11.649 3.994 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.350 10.877 1.207 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.039 12.008 1.481 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.971 9.136 2.485 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.385 9.602 0.901 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.236 9.016 1.255 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.177 9.921 2.342 1.00 0.00 H new ATOM 603 N THR A 38 -15.853 12.967 2.183 1.00 0.00 N ATOM 604 CA THR A 38 -16.523 14.241 1.831 1.00 0.00 C ATOM 605 C THR A 38 -17.816 14.458 2.641 1.00 0.00 C ATOM 606 O THR A 38 -18.255 15.604 2.799 1.00 0.00 O ATOM 607 CB THR A 38 -16.824 14.330 0.294 1.00 0.00 C ATOM 608 OG1 THR A 38 -17.477 15.569 -0.046 1.00 0.00 O ATOM 609 CG2 THR A 38 -17.677 13.162 -0.189 1.00 0.00 C ATOM 0 H THR A 38 -16.166 12.170 1.628 1.00 0.00 H new ATOM 0 HA THR A 38 -15.827 15.038 2.092 1.00 0.00 H new ATOM 0 HB THR A 38 -15.858 14.286 -0.209 1.00 0.00 H new ATOM 0 HG1 THR A 38 -17.792 15.529 -0.973 1.00 0.00 H new ATOM 0 HG21 THR A 38 -17.861 13.264 -1.258 1.00 0.00 H new ATOM 0 HG22 THR A 38 -17.153 12.225 0.001 1.00 0.00 H new ATOM 0 HG23 THR A 38 -18.628 13.161 0.344 1.00 0.00 H new ATOM 617 N GLY A 39 -18.439 13.365 3.120 1.00 0.00 N ATOM 618 CA GLY A 39 -19.628 13.456 3.981 1.00 0.00 C ATOM 619 C GLY A 39 -20.955 13.268 3.262 1.00 0.00 C ATOM 620 O GLY A 39 -21.991 13.110 3.925 1.00 0.00 O ATOM 0 H GLY A 39 -18.137 12.411 2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.548 12.705 4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.631 14.430 4.470 1.00 0.00 H new ATOM 624 N VAL A 40 -20.943 13.286 1.916 1.00 0.00 N ATOM 625 CA VAL A 40 -22.174 13.137 1.106 1.00 0.00 C ATOM 626 C VAL A 40 -22.670 11.657 1.152 1.00 0.00 C ATOM 627 O VAL A 40 -21.854 10.735 1.006 1.00 0.00 O ATOM 628 CB VAL A 40 -21.958 13.651 -0.384 1.00 0.00 C ATOM 629 CG1 VAL A 40 -21.034 12.727 -1.206 1.00 0.00 C ATOM 630 CG2 VAL A 40 -23.305 13.891 -1.116 1.00 0.00 C ATOM 0 H VAL A 40 -20.094 13.402 1.362 1.00 0.00 H new ATOM 0 HA VAL A 40 -22.953 13.766 1.538 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.450 14.612 -0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.923 13.127 -2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -20.056 12.671 -0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.470 11.729 -1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -23.111 14.241 -2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -23.869 12.959 -1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -23.883 14.642 -0.577 1.00 0.00 H new ATOM 640 N PRO A 41 -24.003 11.404 1.430 1.00 0.00 N ATOM 641 CA PRO A 41 -24.555 10.027 1.540 1.00 0.00 C ATOM 642 C PRO A 41 -24.512 9.265 0.184 1.00 0.00 C ATOM 643 O PRO A 41 -25.067 9.756 -0.806 1.00 0.00 O ATOM 644 CB PRO A 41 -26.011 10.264 2.035 1.00 0.00 C ATOM 645 CG PRO A 41 -26.352 11.650 1.581 1.00 0.00 C ATOM 646 CD PRO A 41 -25.059 12.431 1.678 1.00 0.00 C ATOM 0 HA PRO A 41 -23.978 9.395 2.214 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -26.697 9.530 1.612 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -26.079 10.176 3.119 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -26.734 11.647 0.560 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -27.126 12.091 2.210 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -25.019 13.232 0.940 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -24.944 12.894 2.658 1.00 0.00 H new ATOM 654 N PRO A 42 -23.862 8.044 0.131 1.00 0.00 N ATOM 655 CA PRO A 42 -23.610 7.293 -1.138 1.00 0.00 C ATOM 656 C PRO A 42 -24.902 6.864 -1.864 1.00 0.00 C ATOM 657 O PRO A 42 -24.869 6.550 -3.055 1.00 0.00 O ATOM 658 CB PRO A 42 -22.803 6.054 -0.667 1.00 0.00 C ATOM 659 CG PRO A 42 -23.152 5.893 0.782 1.00 0.00 C ATOM 660 CD PRO A 42 -23.339 7.295 1.308 1.00 0.00 C ATOM 0 HA PRO A 42 -23.088 7.910 -1.870 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -23.073 5.166 -1.239 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -21.732 6.206 -0.801 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -24.061 5.303 0.904 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -22.360 5.373 1.321 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -24.040 7.320 2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -22.400 7.717 1.667 1.00 0.00 H new ATOM 668 N GLU A 43 -26.021 6.854 -1.122 1.00 0.00 N ATOM 669 CA GLU A 43 -27.365 6.544 -1.652 1.00 0.00 C ATOM 670 C GLU A 43 -27.785 7.528 -2.771 1.00 0.00 C ATOM 671 O GLU A 43 -28.588 7.184 -3.646 1.00 0.00 O ATOM 672 CB GLU A 43 -28.395 6.577 -0.492 1.00 0.00 C ATOM 673 CG GLU A 43 -28.483 7.940 0.231 1.00 0.00 C ATOM 674 CD GLU A 43 -29.505 7.968 1.375 1.00 0.00 C ATOM 675 OE1 GLU A 43 -30.686 8.288 1.122 1.00 0.00 O ATOM 676 OE2 GLU A 43 -29.138 7.644 2.521 1.00 0.00 O ATOM 0 H GLU A 43 -26.021 7.063 -0.124 1.00 0.00 H new ATOM 0 HA GLU A 43 -27.336 5.548 -2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -29.379 6.322 -0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -28.133 5.808 0.235 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -27.500 8.195 0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -28.743 8.710 -0.495 1.00 0.00 H new ATOM 683 N GLN A 44 -27.233 8.754 -2.709 1.00 0.00 N ATOM 684 CA GLN A 44 -27.497 9.826 -3.690 1.00 0.00 C ATOM 685 C GLN A 44 -26.433 9.859 -4.802 1.00 0.00 C ATOM 686 O GLN A 44 -26.440 10.783 -5.620 1.00 0.00 O ATOM 687 CB GLN A 44 -27.520 11.205 -2.976 1.00 0.00 C ATOM 688 CG GLN A 44 -28.596 11.367 -1.888 1.00 0.00 C ATOM 689 CD GLN A 44 -28.641 12.770 -1.257 1.00 0.00 C ATOM 690 OE1 GLN A 44 -29.701 13.242 -0.857 1.00 0.00 O ATOM 691 NE2 GLN A 44 -27.494 13.439 -1.142 1.00 0.00 N ATOM 0 H GLN A 44 -26.586 9.032 -1.971 1.00 0.00 H new ATOM 0 HA GLN A 44 -28.466 9.618 -4.145 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -26.543 11.378 -2.525 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -27.667 11.981 -3.727 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -29.571 11.142 -2.320 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -28.418 10.632 -1.103 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -26.626 13.025 -1.482 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -27.484 14.365 -0.714 1.00 0.00 H new ATOM 700 N LEU A 45 -25.517 8.869 -4.824 1.00 0.00 N ATOM 701 CA LEU A 45 -24.375 8.835 -5.773 1.00 0.00 C ATOM 702 C LEU A 45 -24.276 7.498 -6.521 1.00 0.00 C ATOM 703 O LEU A 45 -24.831 6.479 -6.099 1.00 0.00 O ATOM 704 CB LEU A 45 -23.012 9.135 -5.062 1.00 0.00 C ATOM 705 CG LEU A 45 -22.773 10.602 -4.563 1.00 0.00 C ATOM 706 CD1 LEU A 45 -23.147 11.631 -5.647 1.00 0.00 C ATOM 707 CD2 LEU A 45 -23.488 10.887 -3.234 1.00 0.00 C ATOM 0 H LEU A 45 -25.544 8.071 -4.189 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.574 9.623 -6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -22.924 8.468 -4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.208 8.877 -5.751 1.00 0.00 H new ATOM 0 HG LEU A 45 -21.705 10.704 -4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -22.970 12.638 -5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.536 11.463 -6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -24.200 11.521 -5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -23.293 11.915 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -24.561 10.743 -3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.118 10.205 -2.468 1.00 0.00 H new ATOM 719 N ARG A 46 -23.543 7.545 -7.649 1.00 0.00 N ATOM 720 CA ARG A 46 -23.203 6.389 -8.492 1.00 0.00 C ATOM 721 C ARG A 46 -21.692 6.452 -8.742 1.00 0.00 C ATOM 722 O ARG A 46 -21.198 7.485 -9.214 1.00 0.00 O ATOM 723 CB ARG A 46 -23.931 6.435 -9.875 1.00 0.00 C ATOM 724 CG ARG A 46 -25.421 6.829 -9.840 1.00 0.00 C ATOM 725 CD ARG A 46 -26.049 6.835 -11.242 1.00 0.00 C ATOM 726 NE ARG A 46 -27.367 7.482 -11.269 1.00 0.00 N ATOM 727 CZ ARG A 46 -28.309 7.283 -12.208 1.00 0.00 C ATOM 728 NH1 ARG A 46 -28.147 6.374 -13.170 1.00 0.00 N ATOM 729 NH2 ARG A 46 -29.421 8.008 -12.178 1.00 0.00 N ATOM 0 H ARG A 46 -23.159 8.419 -8.009 1.00 0.00 H new ATOM 0 HA ARG A 46 -23.512 5.474 -7.986 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -23.404 7.140 -10.518 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -23.846 5.453 -10.341 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -25.965 6.132 -9.202 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -25.524 7.818 -9.393 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -25.381 7.350 -11.933 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -26.145 5.809 -11.597 1.00 0.00 H new ATOM 0 HE ARG A 46 -27.585 8.134 -10.516 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -27.296 5.813 -13.204 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -28.874 6.239 -13.872 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -29.554 8.708 -11.448 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -30.142 7.865 -12.885 1.00 0.00 H new ATOM 743 N VAL A 47 -20.967 5.376 -8.426 1.00 0.00 N ATOM 744 CA VAL A 47 -19.525 5.290 -8.694 1.00 0.00 C ATOM 745 C VAL A 47 -19.312 5.001 -10.193 1.00 0.00 C ATOM 746 O VAL A 47 -19.919 4.082 -10.736 1.00 0.00 O ATOM 747 CB VAL A 47 -18.848 4.194 -7.796 1.00 0.00 C ATOM 748 CG1 VAL A 47 -17.340 4.064 -8.092 1.00 0.00 C ATOM 749 CG2 VAL A 47 -19.089 4.493 -6.296 1.00 0.00 C ATOM 0 H VAL A 47 -21.357 4.545 -7.981 1.00 0.00 H new ATOM 0 HA VAL A 47 -19.052 6.239 -8.443 1.00 0.00 H new ATOM 0 HB VAL A 47 -19.311 3.238 -8.039 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.908 3.296 -7.451 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -17.197 3.787 -9.136 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -16.848 5.017 -7.898 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -18.612 3.722 -5.690 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -18.665 5.465 -6.046 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -20.160 4.502 -6.094 1.00 0.00 H new ATOM 759 N ILE A 48 -18.478 5.827 -10.856 1.00 0.00 N ATOM 760 CA ILE A 48 -18.261 5.788 -12.322 1.00 0.00 C ATOM 761 C ILE A 48 -16.750 5.655 -12.622 1.00 0.00 C ATOM 762 O ILE A 48 -15.946 6.417 -12.087 1.00 0.00 O ATOM 763 CB ILE A 48 -18.808 7.110 -13.009 1.00 0.00 C ATOM 764 CG1 ILE A 48 -20.314 7.366 -12.662 1.00 0.00 C ATOM 765 CG2 ILE A 48 -18.591 7.105 -14.543 1.00 0.00 C ATOM 766 CD1 ILE A 48 -21.289 6.301 -13.123 1.00 0.00 C ATOM 0 H ILE A 48 -17.929 6.548 -10.387 1.00 0.00 H new ATOM 0 HA ILE A 48 -18.800 4.930 -12.724 1.00 0.00 H new ATOM 0 HB ILE A 48 -18.224 7.934 -12.598 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -20.405 7.471 -11.581 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -20.611 8.318 -13.101 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -18.981 8.029 -14.969 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -17.526 7.027 -14.759 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -19.113 6.255 -14.982 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -22.300 6.582 -12.829 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -21.239 6.207 -14.208 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -21.030 5.347 -12.664 1.00 0.00 H new ATOM 778 N TYR A 49 -16.372 4.692 -13.479 1.00 0.00 N ATOM 779 CA TYR A 49 -14.979 4.517 -13.942 1.00 0.00 C ATOM 780 C TYR A 49 -14.901 4.714 -15.457 1.00 0.00 C ATOM 781 O TYR A 49 -15.417 3.898 -16.222 1.00 0.00 O ATOM 782 CB TYR A 49 -14.443 3.123 -13.555 1.00 0.00 C ATOM 783 CG TYR A 49 -13.023 2.789 -14.044 1.00 0.00 C ATOM 784 CD1 TYR A 49 -12.801 1.827 -15.035 1.00 0.00 C ATOM 785 CD2 TYR A 49 -11.905 3.402 -13.481 1.00 0.00 C ATOM 786 CE1 TYR A 49 -11.523 1.499 -15.438 1.00 0.00 C ATOM 787 CE2 TYR A 49 -10.631 3.081 -13.892 1.00 0.00 C ATOM 788 CZ TYR A 49 -10.442 2.127 -14.863 1.00 0.00 C ATOM 789 OH TYR A 49 -9.162 1.794 -15.256 1.00 0.00 O ATOM 0 H TYR A 49 -17.021 4.011 -13.872 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.357 5.268 -13.454 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -14.462 3.037 -12.469 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -15.127 2.370 -13.946 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -13.645 1.332 -15.493 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -12.041 4.143 -12.707 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.371 0.751 -16.203 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.780 3.579 -13.451 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.862 1.005 -14.759 1.00 0.00 H new ATOM 799 N ASN A 50 -14.291 5.834 -15.854 1.00 0.00 N ATOM 800 CA ASN A 50 -13.904 6.144 -17.242 1.00 0.00 C ATOM 801 C ASN A 50 -15.158 6.365 -18.135 1.00 0.00 C ATOM 802 O ASN A 50 -15.102 6.243 -19.362 1.00 0.00 O ATOM 803 CB ASN A 50 -12.949 5.032 -17.791 1.00 0.00 C ATOM 804 CG ASN A 50 -12.064 5.502 -18.951 1.00 0.00 C ATOM 805 OD1 ASN A 50 -12.441 5.402 -20.115 1.00 0.00 O ATOM 806 ND2 ASN A 50 -10.880 6.016 -18.638 1.00 0.00 N ATOM 0 H ASN A 50 -14.043 6.577 -15.201 1.00 0.00 H new ATOM 0 HA ASN A 50 -13.351 7.083 -17.262 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -12.313 4.678 -16.980 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.546 4.182 -18.122 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.254 6.342 -19.375 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.596 6.085 -17.661 1.00 0.00 H new ATOM 813 N GLY A 51 -16.275 6.751 -17.485 1.00 0.00 N ATOM 814 CA GLY A 51 -17.565 6.951 -18.165 1.00 0.00 C ATOM 815 C GLY A 51 -18.481 5.732 -18.098 1.00 0.00 C ATOM 816 O GLY A 51 -19.565 5.744 -18.677 1.00 0.00 O ATOM 0 H GLY A 51 -16.306 6.931 -16.481 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.075 7.804 -17.718 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.382 7.201 -19.210 1.00 0.00 H new ATOM 820 N ARG A 52 -18.033 4.675 -17.396 1.00 0.00 N ATOM 821 CA ARG A 52 -18.804 3.426 -17.189 1.00 0.00 C ATOM 822 C ARG A 52 -19.413 3.410 -15.778 1.00 0.00 C ATOM 823 O ARG A 52 -18.745 3.789 -14.819 1.00 0.00 O ATOM 824 CB ARG A 52 -17.881 2.191 -17.394 1.00 0.00 C ATOM 825 CG ARG A 52 -18.505 0.840 -16.989 1.00 0.00 C ATOM 826 CD ARG A 52 -17.596 -0.352 -17.293 1.00 0.00 C ATOM 827 NE ARG A 52 -18.232 -1.615 -16.899 1.00 0.00 N ATOM 828 CZ ARG A 52 -17.710 -2.836 -17.081 1.00 0.00 C ATOM 829 NH1 ARG A 52 -16.543 -3.006 -17.691 1.00 0.00 N ATOM 830 NH2 ARG A 52 -18.372 -3.895 -16.640 1.00 0.00 N ATOM 0 H ARG A 52 -17.116 4.660 -16.950 1.00 0.00 H new ATOM 0 HA ARG A 52 -19.613 3.383 -17.918 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -17.593 2.141 -18.444 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.967 2.339 -16.819 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -18.731 0.855 -15.923 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -19.452 0.711 -17.514 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.364 -0.374 -18.358 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.650 -0.237 -16.763 1.00 0.00 H new ATOM 0 HE ARG A 52 -19.146 -1.559 -16.450 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.024 -2.197 -18.033 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.166 -3.945 -17.818 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.268 -3.776 -16.168 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.985 -4.830 -16.772 1.00 0.00 H new ATOM 844 N GLU A 53 -20.676 2.949 -15.656 1.00 0.00 N ATOM 845 CA GLU A 53 -21.372 2.874 -14.359 1.00 0.00 C ATOM 846 C GLU A 53 -20.961 1.592 -13.623 1.00 0.00 C ATOM 847 O GLU A 53 -21.003 0.497 -14.199 1.00 0.00 O ATOM 848 CB GLU A 53 -22.912 2.938 -14.554 1.00 0.00 C ATOM 849 CG GLU A 53 -23.696 3.366 -13.290 1.00 0.00 C ATOM 850 CD GLU A 53 -25.173 3.694 -13.576 1.00 0.00 C ATOM 851 OE1 GLU A 53 -26.019 2.780 -13.523 1.00 0.00 O ATOM 852 OE2 GLU A 53 -25.494 4.866 -13.879 1.00 0.00 O ATOM 0 H GLU A 53 -21.234 2.623 -16.445 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.082 3.732 -13.752 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.136 3.637 -15.360 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.267 1.958 -14.873 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.644 2.567 -12.550 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.215 4.240 -12.850 1.00 0.00 H new ATOM 859 N LEU A 54 -20.538 1.737 -12.360 1.00 0.00 N ATOM 860 CA LEU A 54 -20.044 0.618 -11.548 1.00 0.00 C ATOM 861 C LEU A 54 -21.130 0.166 -10.566 1.00 0.00 C ATOM 862 O LEU A 54 -21.624 0.971 -9.762 1.00 0.00 O ATOM 863 CB LEU A 54 -18.759 1.009 -10.768 1.00 0.00 C ATOM 864 CG LEU A 54 -17.600 1.678 -11.586 1.00 0.00 C ATOM 865 CD1 LEU A 54 -16.302 1.716 -10.766 1.00 0.00 C ATOM 866 CD2 LEU A 54 -17.390 1.013 -12.966 1.00 0.00 C ATOM 0 H LEU A 54 -20.529 2.633 -11.873 1.00 0.00 H new ATOM 0 HA LEU A 54 -19.795 -0.202 -12.221 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -19.044 1.691 -9.967 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -18.364 0.110 -10.296 1.00 0.00 H new ATOM 0 HG LEU A 54 -17.899 2.707 -11.787 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.513 2.184 -11.355 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -16.464 2.291 -9.854 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.006 0.700 -10.506 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.577 1.514 -13.491 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -17.140 -0.039 -12.829 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -18.305 1.095 -13.552 1.00 0.00 H new ATOM 878 N GLU A 55 -21.491 -1.118 -10.656 1.00 0.00 N ATOM 879 CA GLU A 55 -22.467 -1.746 -9.770 1.00 0.00 C ATOM 880 C GLU A 55 -21.828 -2.001 -8.387 1.00 0.00 C ATOM 881 O GLU A 55 -20.755 -2.607 -8.327 1.00 0.00 O ATOM 882 CB GLU A 55 -22.966 -3.071 -10.396 1.00 0.00 C ATOM 883 CG GLU A 55 -23.662 -2.898 -11.755 1.00 0.00 C ATOM 884 CD GLU A 55 -25.050 -2.241 -11.662 1.00 0.00 C ATOM 885 OE1 GLU A 55 -25.139 -1.000 -11.570 1.00 0.00 O ATOM 886 OE2 GLU A 55 -26.067 -2.971 -11.674 1.00 0.00 O ATOM 0 H GLU A 55 -21.108 -1.754 -11.355 1.00 0.00 H new ATOM 0 HA GLU A 55 -23.321 -1.082 -9.640 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -22.118 -3.745 -10.517 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -23.658 -3.550 -9.703 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -23.027 -2.294 -12.404 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -23.764 -3.875 -12.228 1.00 0.00 H new ATOM 893 N PRO A 56 -22.478 -1.522 -7.268 1.00 0.00 N ATOM 894 CA PRO A 56 -22.000 -1.710 -5.869 1.00 0.00 C ATOM 895 C PRO A 56 -21.646 -3.180 -5.555 1.00 0.00 C ATOM 896 O PRO A 56 -20.562 -3.480 -5.037 1.00 0.00 O ATOM 897 CB PRO A 56 -23.186 -1.219 -4.995 1.00 0.00 C ATOM 898 CG PRO A 56 -23.963 -0.288 -5.878 1.00 0.00 C ATOM 899 CD PRO A 56 -23.731 -0.735 -7.311 1.00 0.00 C ATOM 0 HA PRO A 56 -21.077 -1.160 -5.683 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -23.803 -2.054 -4.663 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -22.831 -0.709 -4.100 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -25.024 -0.319 -5.632 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -23.633 0.741 -5.737 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -24.563 -1.337 -7.676 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -23.638 0.120 -7.981 1.00 0.00 H new ATOM 907 N ARG A 57 -22.581 -4.068 -5.938 1.00 0.00 N ATOM 908 CA ARG A 57 -22.495 -5.533 -5.749 1.00 0.00 C ATOM 909 C ARG A 57 -21.193 -6.134 -6.327 1.00 0.00 C ATOM 910 O ARG A 57 -20.667 -7.125 -5.803 1.00 0.00 O ATOM 911 CB ARG A 57 -23.726 -6.192 -6.444 1.00 0.00 C ATOM 912 CG ARG A 57 -23.911 -5.772 -7.922 1.00 0.00 C ATOM 913 CD ARG A 57 -25.100 -6.451 -8.616 1.00 0.00 C ATOM 914 NE ARG A 57 -25.349 -5.859 -9.948 1.00 0.00 N ATOM 915 CZ ARG A 57 -25.589 -6.538 -11.081 1.00 0.00 C ATOM 916 NH1 ARG A 57 -25.556 -7.866 -11.112 1.00 0.00 N ATOM 917 NH2 ARG A 57 -25.834 -5.865 -12.192 1.00 0.00 N ATOM 0 H ARG A 57 -23.443 -3.781 -6.401 1.00 0.00 H new ATOM 0 HA ARG A 57 -22.489 -5.735 -4.678 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -23.621 -7.276 -6.395 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -24.627 -5.933 -5.887 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -24.044 -4.691 -7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -23.000 -6.005 -8.473 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -24.903 -7.518 -8.720 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -25.992 -6.350 -7.998 1.00 0.00 H new ATOM 0 HE ARG A 57 -25.337 -4.841 -10.012 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -25.345 -8.391 -10.263 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -25.742 -8.361 -11.985 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -25.839 -4.845 -12.180 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -26.018 -6.366 -13.061 1.00 0.00 H new ATOM 931 N THR A 58 -20.690 -5.520 -7.402 1.00 0.00 N ATOM 932 CA THR A 58 -19.522 -6.007 -8.155 1.00 0.00 C ATOM 933 C THR A 58 -18.211 -5.480 -7.522 1.00 0.00 C ATOM 934 O THR A 58 -18.220 -4.460 -6.833 1.00 0.00 O ATOM 935 CB THR A 58 -19.650 -5.571 -9.647 1.00 0.00 C ATOM 936 OG1 THR A 58 -20.957 -5.930 -10.135 1.00 0.00 O ATOM 937 CG2 THR A 58 -18.581 -6.219 -10.549 1.00 0.00 C ATOM 0 H THR A 58 -21.085 -4.660 -7.782 1.00 0.00 H new ATOM 0 HA THR A 58 -19.489 -7.096 -8.113 1.00 0.00 H new ATOM 0 HB THR A 58 -19.500 -4.492 -9.684 1.00 0.00 H new ATOM 0 HG1 THR A 58 -21.043 -5.656 -11.072 1.00 0.00 H new ATOM 0 HG21 THR A 58 -18.718 -5.880 -11.576 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.589 -5.932 -10.201 1.00 0.00 H new ATOM 0 HG23 THR A 58 -18.680 -7.304 -10.509 1.00 0.00 H new ATOM 945 N THR A 59 -17.097 -6.207 -7.732 1.00 0.00 N ATOM 946 CA THR A 59 -15.780 -5.859 -7.173 1.00 0.00 C ATOM 947 C THR A 59 -14.955 -4.951 -8.118 1.00 0.00 C ATOM 948 O THR A 59 -15.267 -4.813 -9.310 1.00 0.00 O ATOM 949 CB THR A 59 -14.983 -7.158 -6.814 1.00 0.00 C ATOM 950 OG1 THR A 59 -15.005 -8.068 -7.922 1.00 0.00 O ATOM 951 CG2 THR A 59 -15.570 -7.857 -5.575 1.00 0.00 C ATOM 0 H THR A 59 -17.087 -7.056 -8.297 1.00 0.00 H new ATOM 0 HA THR A 59 -15.956 -5.285 -6.263 1.00 0.00 H new ATOM 0 HB THR A 59 -13.957 -6.864 -6.591 1.00 0.00 H new ATOM 0 HG1 THR A 59 -14.503 -8.877 -7.691 1.00 0.00 H new ATOM 0 HG21 THR A 59 -14.992 -8.754 -5.355 1.00 0.00 H new ATOM 0 HG22 THR A 59 -15.528 -7.180 -4.721 1.00 0.00 H new ATOM 0 HG23 THR A 59 -16.607 -8.132 -5.769 1.00 0.00 H new ATOM 959 N LEU A 60 -13.885 -4.353 -7.547 1.00 0.00 N ATOM 960 CA LEU A 60 -12.982 -3.391 -8.228 1.00 0.00 C ATOM 961 C LEU A 60 -12.185 -4.073 -9.350 1.00 0.00 C ATOM 962 O LEU A 60 -11.996 -3.509 -10.433 1.00 0.00 O ATOM 963 CB LEU A 60 -11.984 -2.766 -7.189 1.00 0.00 C ATOM 964 CG LEU A 60 -12.493 -1.556 -6.341 1.00 0.00 C ATOM 965 CD1 LEU A 60 -13.819 -1.853 -5.643 1.00 0.00 C ATOM 966 CD2 LEU A 60 -11.427 -1.104 -5.318 1.00 0.00 C ATOM 0 H LEU A 60 -13.617 -4.528 -6.578 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.599 -2.607 -8.668 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.677 -3.554 -6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.092 -2.448 -7.728 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.672 -0.738 -7.039 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.130 -0.982 -5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.579 -2.085 -6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.695 -2.705 -4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.809 -0.261 -4.743 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.197 -1.929 -4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.522 -0.803 -5.845 1.00 0.00 H new ATOM 978 N GLU A 61 -11.718 -5.288 -9.040 1.00 0.00 N ATOM 979 CA GLU A 61 -10.907 -6.125 -9.943 1.00 0.00 C ATOM 980 C GLU A 61 -11.629 -6.416 -11.281 1.00 0.00 C ATOM 981 O GLU A 61 -10.982 -6.552 -12.323 1.00 0.00 O ATOM 982 CB GLU A 61 -10.536 -7.439 -9.211 1.00 0.00 C ATOM 983 CG GLU A 61 -11.744 -8.226 -8.666 1.00 0.00 C ATOM 984 CD GLU A 61 -11.347 -9.519 -7.939 1.00 0.00 C ATOM 985 OE1 GLU A 61 -11.093 -10.534 -8.622 1.00 0.00 O ATOM 986 OE2 GLU A 61 -11.287 -9.531 -6.691 1.00 0.00 O ATOM 0 H GLU A 61 -11.895 -5.729 -8.137 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.000 -5.578 -10.201 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.980 -8.079 -9.897 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.868 -7.203 -8.383 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.305 -7.590 -7.981 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.412 -8.472 -9.492 1.00 0.00 H new ATOM 993 N GLU A 62 -12.972 -6.471 -11.236 1.00 0.00 N ATOM 994 CA GLU A 62 -13.815 -6.694 -12.425 1.00 0.00 C ATOM 995 C GLU A 62 -13.781 -5.476 -13.364 1.00 0.00 C ATOM 996 O GLU A 62 -13.771 -5.632 -14.589 1.00 0.00 O ATOM 997 CB GLU A 62 -15.272 -7.007 -11.995 1.00 0.00 C ATOM 998 CG GLU A 62 -15.417 -8.270 -11.125 1.00 0.00 C ATOM 999 CD GLU A 62 -14.941 -9.552 -11.831 1.00 0.00 C ATOM 1000 OE1 GLU A 62 -15.721 -10.132 -12.616 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -13.787 -9.985 -11.615 1.00 0.00 O ATOM 0 H GLU A 62 -13.505 -6.362 -10.373 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.416 -7.549 -12.971 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.668 -6.153 -11.445 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.886 -7.123 -12.888 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.847 -8.137 -10.205 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.462 -8.388 -10.838 1.00 0.00 H new ATOM 1008 N TYR A 63 -13.735 -4.274 -12.769 1.00 0.00 N ATOM 1009 CA TYR A 63 -13.719 -2.997 -13.516 1.00 0.00 C ATOM 1010 C TYR A 63 -12.286 -2.499 -13.787 1.00 0.00 C ATOM 1011 O TYR A 63 -12.114 -1.483 -14.472 1.00 0.00 O ATOM 1012 CB TYR A 63 -14.511 -1.926 -12.731 1.00 0.00 C ATOM 1013 CG TYR A 63 -15.989 -2.274 -12.538 1.00 0.00 C ATOM 1014 CD1 TYR A 63 -16.556 -2.398 -11.272 1.00 0.00 C ATOM 1015 CD2 TYR A 63 -16.817 -2.483 -13.641 1.00 0.00 C ATOM 1016 CE1 TYR A 63 -17.889 -2.705 -11.116 1.00 0.00 C ATOM 1017 CE2 TYR A 63 -18.149 -2.788 -13.486 1.00 0.00 C ATOM 1018 CZ TYR A 63 -18.680 -2.904 -12.228 1.00 0.00 C ATOM 1019 OH TYR A 63 -20.012 -3.209 -12.077 1.00 0.00 O ATOM 0 H TYR A 63 -13.708 -4.155 -11.756 1.00 0.00 H new ATOM 0 HA TYR A 63 -14.189 -3.174 -14.483 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -14.048 -1.788 -11.754 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -14.436 -0.974 -13.256 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -15.939 -2.251 -10.398 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -16.404 -2.404 -14.636 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -18.314 -2.790 -10.127 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -18.775 -2.936 -14.354 1.00 0.00 H new ATOM 0 HH TYR A 63 -20.425 -3.316 -12.959 1.00 0.00 H new ATOM 1029 N ASN A 64 -11.282 -3.221 -13.249 1.00 0.00 N ATOM 1030 CA ASN A 64 -9.854 -2.851 -13.348 1.00 0.00 C ATOM 1031 C ASN A 64 -9.623 -1.451 -12.733 1.00 0.00 C ATOM 1032 O ASN A 64 -9.092 -0.527 -13.373 1.00 0.00 O ATOM 1033 CB ASN A 64 -9.336 -2.961 -14.817 1.00 0.00 C ATOM 1034 CG ASN A 64 -7.805 -2.853 -14.946 1.00 0.00 C ATOM 1035 OD1 ASN A 64 -7.089 -3.850 -14.836 1.00 0.00 O ATOM 1036 ND2 ASN A 64 -7.293 -1.658 -15.195 1.00 0.00 N ATOM 0 H ASN A 64 -11.440 -4.084 -12.729 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.264 -3.562 -12.769 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.660 -3.913 -15.236 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.798 -2.176 -15.415 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.285 -1.547 -15.300 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.907 -0.848 -15.282 1.00 0.00 H new ATOM 1043 N ILE A 65 -10.089 -1.300 -11.484 1.00 0.00 N ATOM 1044 CA ILE A 65 -9.863 -0.085 -10.691 1.00 0.00 C ATOM 1045 C ILE A 65 -8.413 -0.112 -10.180 1.00 0.00 C ATOM 1046 O ILE A 65 -8.129 -0.685 -9.134 1.00 0.00 O ATOM 1047 CB ILE A 65 -10.893 0.020 -9.496 1.00 0.00 C ATOM 1048 CG1 ILE A 65 -12.365 -0.092 -10.009 1.00 0.00 C ATOM 1049 CG2 ILE A 65 -10.696 1.320 -8.683 1.00 0.00 C ATOM 1050 CD1 ILE A 65 -12.796 1.006 -10.952 1.00 0.00 C ATOM 0 H ILE A 65 -10.631 -2.014 -10.998 1.00 0.00 H new ATOM 0 HA ILE A 65 -10.019 0.797 -11.312 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.698 -0.820 -8.829 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -12.487 -1.051 -10.512 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -13.035 -0.096 -9.149 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -11.422 1.355 -7.871 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.688 1.341 -8.269 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -10.839 2.182 -9.335 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -13.831 0.842 -11.253 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -12.712 1.970 -10.450 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -12.156 1.000 -11.835 1.00 0.00 H new ATOM 1062 N THR A 66 -7.502 0.424 -11.004 1.00 0.00 N ATOM 1063 CA THR A 66 -6.044 0.421 -10.760 1.00 0.00 C ATOM 1064 C THR A 66 -5.562 1.740 -10.095 1.00 0.00 C ATOM 1065 O THR A 66 -6.269 2.740 -10.157 1.00 0.00 O ATOM 1066 CB THR A 66 -5.305 0.147 -12.119 1.00 0.00 C ATOM 1067 OG1 THR A 66 -5.900 0.920 -13.187 1.00 0.00 O ATOM 1068 CG2 THR A 66 -5.327 -1.350 -12.472 1.00 0.00 C ATOM 0 H THR A 66 -7.759 0.882 -11.878 1.00 0.00 H new ATOM 0 HA THR A 66 -5.803 -0.373 -10.053 1.00 0.00 H new ATOM 0 HB THR A 66 -4.266 0.454 -12.000 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.426 0.738 -14.025 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.808 -1.509 -13.417 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.829 -1.917 -11.685 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.360 -1.687 -12.564 1.00 0.00 H new ATOM 1076 N PRO A 67 -4.340 1.766 -9.439 1.00 0.00 N ATOM 1077 CA PRO A 67 -3.882 2.943 -8.661 1.00 0.00 C ATOM 1078 C PRO A 67 -3.634 4.189 -9.544 1.00 0.00 C ATOM 1079 O PRO A 67 -2.975 4.109 -10.591 1.00 0.00 O ATOM 1080 CB PRO A 67 -2.574 2.454 -7.984 1.00 0.00 C ATOM 1081 CG PRO A 67 -2.076 1.354 -8.871 1.00 0.00 C ATOM 1082 CD PRO A 67 -3.315 0.680 -9.418 1.00 0.00 C ATOM 0 HA PRO A 67 -4.636 3.272 -7.946 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.844 3.260 -7.904 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.762 2.093 -6.973 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.457 1.750 -9.676 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.460 0.649 -8.313 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.142 0.276 -10.415 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.628 -0.152 -8.787 1.00 0.00 H new ATOM 1090 N GLY A 68 -4.202 5.329 -9.117 1.00 0.00 N ATOM 1091 CA GLY A 68 -4.016 6.610 -9.795 1.00 0.00 C ATOM 1092 C GLY A 68 -5.263 7.084 -10.522 1.00 0.00 C ATOM 1093 O GLY A 68 -5.371 8.272 -10.845 1.00 0.00 O ATOM 0 H GLY A 68 -4.801 5.382 -8.293 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.721 7.362 -9.064 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.197 6.521 -10.509 1.00 0.00 H new ATOM 1097 N VAL A 69 -6.211 6.163 -10.781 1.00 0.00 N ATOM 1098 CA VAL A 69 -7.447 6.482 -11.523 1.00 0.00 C ATOM 1099 C VAL A 69 -8.383 7.365 -10.668 1.00 0.00 C ATOM 1100 O VAL A 69 -8.376 7.278 -9.431 1.00 0.00 O ATOM 1101 CB VAL A 69 -8.192 5.183 -12.008 1.00 0.00 C ATOM 1102 CG1 VAL A 69 -7.252 4.292 -12.861 1.00 0.00 C ATOM 1103 CG2 VAL A 69 -8.825 4.390 -10.834 1.00 0.00 C ATOM 0 H VAL A 69 -6.144 5.189 -10.486 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.159 7.041 -12.413 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.019 5.504 -12.642 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.790 3.401 -13.184 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.916 4.850 -13.735 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.389 3.998 -12.264 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.326 3.504 -11.222 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.044 4.089 -10.136 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.550 5.020 -10.318 1.00 0.00 H new ATOM 1113 N THR A 70 -9.162 8.227 -11.337 1.00 0.00 N ATOM 1114 CA THR A 70 -10.069 9.174 -10.679 1.00 0.00 C ATOM 1115 C THR A 70 -11.516 8.846 -11.057 1.00 0.00 C ATOM 1116 O THR A 70 -11.980 9.243 -12.126 1.00 0.00 O ATOM 1117 CB THR A 70 -9.732 10.648 -11.082 1.00 0.00 C ATOM 1118 OG1 THR A 70 -8.333 10.892 -10.886 1.00 0.00 O ATOM 1119 CG2 THR A 70 -10.553 11.679 -10.280 1.00 0.00 C ATOM 0 H THR A 70 -9.179 8.286 -12.355 1.00 0.00 H new ATOM 0 HA THR A 70 -9.943 9.081 -9.600 1.00 0.00 H new ATOM 0 HB THR A 70 -9.995 10.767 -12.133 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.123 11.815 -11.140 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.282 12.686 -10.597 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.616 11.516 -10.459 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.342 11.564 -9.217 1.00 0.00 H new ATOM 1127 N LEU A 71 -12.199 8.093 -10.180 1.00 0.00 N ATOM 1128 CA LEU A 71 -13.634 7.767 -10.306 1.00 0.00 C ATOM 1129 C LEU A 71 -14.481 9.039 -10.205 1.00 0.00 C ATOM 1130 O LEU A 71 -14.034 10.048 -9.674 1.00 0.00 O ATOM 1131 CB LEU A 71 -14.056 6.764 -9.181 1.00 0.00 C ATOM 1132 CG LEU A 71 -13.777 5.234 -9.420 1.00 0.00 C ATOM 1133 CD1 LEU A 71 -12.453 4.959 -10.153 1.00 0.00 C ATOM 1134 CD2 LEU A 71 -13.815 4.476 -8.078 1.00 0.00 C ATOM 0 H LEU A 71 -11.766 7.686 -9.351 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.801 7.307 -11.280 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.548 7.058 -8.263 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -15.125 6.886 -9.007 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.569 4.871 -10.076 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.326 3.884 -10.284 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.470 5.444 -11.129 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.624 5.354 -9.566 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.621 3.418 -8.252 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.054 4.879 -7.411 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.797 4.594 -7.621 1.00 0.00 H new ATOM 1146 N GLU A 72 -15.706 8.978 -10.721 1.00 0.00 N ATOM 1147 CA GLU A 72 -16.644 10.105 -10.703 1.00 0.00 C ATOM 1148 C GLU A 72 -17.930 9.683 -10.004 1.00 0.00 C ATOM 1149 O GLU A 72 -18.300 8.509 -10.028 1.00 0.00 O ATOM 1150 CB GLU A 72 -16.939 10.594 -12.144 1.00 0.00 C ATOM 1151 CG GLU A 72 -15.685 11.014 -12.934 1.00 0.00 C ATOM 1152 CD GLU A 72 -16.007 11.553 -14.333 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -15.938 12.782 -14.543 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -16.339 10.749 -15.230 1.00 0.00 O ATOM 0 H GLU A 72 -16.081 8.141 -11.167 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.196 10.934 -10.155 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.449 9.800 -12.689 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.625 11.439 -12.096 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.148 11.778 -12.372 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.017 10.157 -13.026 1.00 0.00 H new ATOM 1161 N LEU A 73 -18.584 10.638 -9.350 1.00 0.00 N ATOM 1162 CA LEU A 73 -19.886 10.431 -8.721 1.00 0.00 C ATOM 1163 C LEU A 73 -20.950 11.184 -9.501 1.00 0.00 C ATOM 1164 O LEU A 73 -20.799 12.377 -9.787 1.00 0.00 O ATOM 1165 CB LEU A 73 -19.862 10.867 -7.239 1.00 0.00 C ATOM 1166 CG LEU A 73 -18.959 9.999 -6.313 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -18.964 10.520 -4.857 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -19.373 8.504 -6.383 1.00 0.00 C ATOM 0 H LEU A 73 -18.223 11.586 -9.240 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.125 9.368 -8.739 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -19.523 11.902 -7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -20.881 10.845 -6.853 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.935 10.082 -6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.323 9.888 -4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.592 11.544 -4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -19.981 10.495 -4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -18.729 7.917 -5.728 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -20.409 8.398 -6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.272 8.146 -7.408 1.00 0.00 H new ATOM 1180 N LYS A 74 -21.982 10.446 -9.920 1.00 0.00 N ATOM 1181 CA LYS A 74 -23.183 10.988 -10.579 1.00 0.00 C ATOM 1182 C LYS A 74 -24.371 10.801 -9.630 1.00 0.00 C ATOM 1183 O LYS A 74 -24.384 9.858 -8.850 1.00 0.00 O ATOM 1184 CB LYS A 74 -23.427 10.267 -11.947 1.00 0.00 C ATOM 1185 CG LYS A 74 -22.647 10.855 -13.160 1.00 0.00 C ATOM 1186 CD LYS A 74 -21.116 10.941 -12.945 1.00 0.00 C ATOM 1187 CE LYS A 74 -20.374 11.544 -14.141 1.00 0.00 C ATOM 1188 NZ LYS A 74 -20.848 12.915 -14.440 1.00 0.00 N ATOM 0 H LYS A 74 -22.010 9.432 -9.810 1.00 0.00 H new ATOM 0 HA LYS A 74 -23.053 12.049 -10.794 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -23.157 9.217 -11.838 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -24.493 10.301 -12.171 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.846 10.241 -14.038 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -23.030 11.853 -13.375 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -20.913 11.542 -12.059 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.726 9.942 -12.749 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -19.304 11.565 -13.933 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -20.516 10.910 -15.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -20.197 13.368 -15.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.800 12.870 -14.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.880 13.471 -13.561 1.00 0.00 H new ATOM 1202 N THR A 75 -25.348 11.707 -9.693 1.00 0.00 N ATOM 1203 CA THR A 75 -26.511 11.682 -8.797 1.00 0.00 C ATOM 1204 C THR A 75 -27.384 10.433 -9.058 1.00 0.00 C ATOM 1205 O THR A 75 -27.796 10.186 -10.195 1.00 0.00 O ATOM 1206 CB THR A 75 -27.362 12.983 -8.955 1.00 0.00 C ATOM 1207 OG1 THR A 75 -27.716 13.175 -10.340 1.00 0.00 O ATOM 1208 CG2 THR A 75 -26.610 14.231 -8.428 1.00 0.00 C ATOM 0 H THR A 75 -25.358 12.476 -10.362 1.00 0.00 H new ATOM 0 HA THR A 75 -26.142 11.633 -7.773 1.00 0.00 H new ATOM 0 HB THR A 75 -28.265 12.861 -8.357 1.00 0.00 H new ATOM 0 HG1 THR A 75 -27.906 12.307 -10.752 1.00 0.00 H new ATOM 0 HG21 THR A 75 -27.236 15.114 -8.556 1.00 0.00 H new ATOM 0 HG22 THR A 75 -26.382 14.099 -7.370 1.00 0.00 H new ATOM 0 HG23 THR A 75 -25.683 14.360 -8.986 1.00 0.00 H new ATOM 1216 N ARG A 76 -27.590 9.621 -8.013 1.00 0.00 N ATOM 1217 CA ARG A 76 -28.519 8.484 -8.034 1.00 0.00 C ATOM 1218 C ARG A 76 -29.925 9.024 -7.716 1.00 0.00 C ATOM 1219 O ARG A 76 -30.317 9.132 -6.550 1.00 0.00 O ATOM 1220 CB ARG A 76 -28.069 7.383 -7.008 1.00 0.00 C ATOM 1221 CG ARG A 76 -28.416 5.908 -7.366 1.00 0.00 C ATOM 1222 CD ARG A 76 -29.922 5.539 -7.359 1.00 0.00 C ATOM 1223 NE ARG A 76 -30.691 6.100 -8.499 1.00 0.00 N ATOM 1224 CZ ARG A 76 -30.624 5.683 -9.785 1.00 0.00 C ATOM 1225 NH1 ARG A 76 -29.774 4.740 -10.168 1.00 0.00 N ATOM 1226 NH2 ARG A 76 -31.416 6.237 -10.690 1.00 0.00 N ATOM 0 H ARG A 76 -27.111 9.736 -7.120 1.00 0.00 H new ATOM 0 HA ARG A 76 -28.525 8.008 -9.015 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -26.989 7.457 -6.882 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -28.519 7.614 -6.043 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -28.015 5.692 -8.356 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -27.900 5.254 -6.663 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -30.019 4.453 -7.369 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -30.366 5.890 -6.428 1.00 0.00 H new ATOM 0 HE ARG A 76 -31.328 6.870 -8.294 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -29.149 4.309 -9.487 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -29.745 4.445 -11.144 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -32.069 6.971 -10.415 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -31.373 5.930 -11.662 1.00 0.00 H new