USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 576 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 GLN : amide:sc= -0.0878 K(o=-0.088,f=-1.2) USER MOD Single : A 6 LYS NZ :NH3+ -154:sc= 0.379 (180deg=-0.103) USER MOD Single : A 7 THR OG1 : rot -134:sc= -0.918 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 11 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0287) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -4:sc= 0.774! USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 40:sc= 0.621 USER MOD Single : A 25 ASN : amide:sc= -0.398 K(o=-0.4,f=-4.4!) USER MOD Single : A 27 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 31 GLN : amide:sc= -0.0314 K(o=-0.031,f=-1.8) USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0361) USER MOD Single : A 40 GLN : amide:sc= -0.0214 X(o=-0.021,f=0) USER MOD Single : A 41 GLN : amide:sc= -1.95 K(o=-1.9,f=-2.7) USER MOD Single : A 48 LYS NZ :NH3+ 152:sc= -0.762 (180deg=-2.6!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0518 K(o=-0.052,f=-1.5!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 120:sc= -0.231 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00753 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -14.158 4.910 1.782 1.00 0.00 N ATOM 21 CA GLN A 2 -14.373 3.497 1.480 1.00 0.00 C ATOM 22 C GLN A 2 -13.584 2.603 2.438 1.00 0.00 C ATOM 23 O GLN A 2 -14.079 1.566 2.878 1.00 0.00 O ATOM 24 CB GLN A 2 -13.974 3.191 0.034 1.00 0.00 C ATOM 25 CG GLN A 2 -14.939 3.755 -0.996 1.00 0.00 C ATOM 26 CD GLN A 2 -16.281 3.043 -0.990 1.00 0.00 C ATOM 27 OE1 GLN A 2 -16.394 1.918 -0.503 1.00 0.00 O ATOM 28 NE2 GLN A 2 -17.307 3.695 -1.533 1.00 0.00 N ATOM 0 HA GLN A 2 -15.435 3.287 1.608 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.979 3.595 -0.153 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.908 2.111 -0.095 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -15.094 4.816 -0.801 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -14.494 3.675 -1.988 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -17.169 4.626 -1.926 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -18.231 3.263 -1.556 1.00 0.00 H new ATOM 37 N ILE A 3 -12.356 3.009 2.760 1.00 0.00 N ATOM 38 CA ILE A 3 -11.510 2.238 3.663 1.00 0.00 C ATOM 39 C ILE A 3 -10.765 3.156 4.631 1.00 0.00 C ATOM 40 O ILE A 3 -10.858 4.379 4.530 1.00 0.00 O ATOM 41 CB ILE A 3 -10.486 1.388 2.885 1.00 0.00 C ATOM 42 CG1 ILE A 3 -9.652 2.277 1.961 1.00 0.00 C ATOM 43 CG2 ILE A 3 -11.193 0.302 2.088 1.00 0.00 C ATOM 44 CD1 ILE A 3 -8.578 1.524 1.207 1.00 0.00 C ATOM 0 H ILE A 3 -11.928 3.866 2.409 1.00 0.00 H new ATOM 0 HA ILE A 3 -12.166 1.574 4.226 1.00 0.00 H new ATOM 0 HB ILE A 3 -9.817 0.908 3.599 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.313 2.765 1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.185 3.065 2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.456 -0.289 1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.748 -0.345 2.767 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.883 0.761 1.380 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.026 2.217 0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -7.894 1.058 1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.039 0.754 0.589 1.00 0.00 H new ATOM 56 N PHE A 4 -10.027 2.563 5.569 1.00 0.00 N ATOM 57 CA PHE A 4 -9.273 3.340 6.547 1.00 0.00 C ATOM 58 C PHE A 4 -7.778 3.061 6.427 1.00 0.00 C ATOM 59 O PHE A 4 -7.250 2.167 7.089 1.00 0.00 O ATOM 60 CB PHE A 4 -9.753 3.020 7.963 1.00 0.00 C ATOM 61 CG PHE A 4 -10.851 3.927 8.444 1.00 0.00 C ATOM 62 CD1 PHE A 4 -10.552 5.144 9.034 1.00 0.00 C ATOM 63 CD2 PHE A 4 -12.180 3.560 8.305 1.00 0.00 C ATOM 64 CE1 PHE A 4 -11.560 5.980 9.478 1.00 0.00 C ATOM 65 CE2 PHE A 4 -13.192 4.392 8.747 1.00 0.00 C ATOM 66 CZ PHE A 4 -12.881 5.603 9.334 1.00 0.00 C ATOM 0 H PHE A 4 -9.937 1.552 5.671 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.444 4.397 6.344 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -10.105 1.989 7.994 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.909 3.090 8.649 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -9.521 5.443 9.148 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -12.428 2.614 7.847 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -11.315 6.926 9.937 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -14.224 4.095 8.633 1.00 0.00 H new ATOM 0 HZ PHE A 4 -13.670 6.254 9.680 1.00 0.00 H new ATOM 76 N VAL A 5 -7.097 3.829 5.578 1.00 0.00 N ATOM 77 CA VAL A 5 -5.664 3.658 5.376 1.00 0.00 C ATOM 78 C VAL A 5 -4.879 4.817 5.985 1.00 0.00 C ATOM 79 O VAL A 5 -5.168 5.983 5.713 1.00 0.00 O ATOM 80 CB VAL A 5 -5.316 3.550 3.879 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.853 3.174 3.695 1.00 0.00 C ATOM 82 CG2 VAL A 5 -6.223 2.541 3.192 1.00 0.00 C ATOM 0 H VAL A 5 -7.516 4.574 5.021 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.384 2.730 5.875 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.477 4.524 3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.627 3.103 2.631 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.221 3.937 4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.662 2.213 4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.963 2.478 2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.096 1.563 3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.261 2.858 3.292 1.00 0.00 H new ATOM 92 N LYS A 6 -3.882 4.493 6.807 1.00 0.00 N ATOM 93 CA LYS A 6 -3.059 5.514 7.445 1.00 0.00 C ATOM 94 C LYS A 6 -1.666 5.553 6.822 1.00 0.00 C ATOM 95 O LYS A 6 -1.189 4.551 6.289 1.00 0.00 O ATOM 96 CB LYS A 6 -2.954 5.247 8.948 1.00 0.00 C ATOM 97 CG LYS A 6 -2.211 3.966 9.291 1.00 0.00 C ATOM 98 CD LYS A 6 -2.077 3.783 10.794 1.00 0.00 C ATOM 99 CE LYS A 6 -1.284 4.916 11.426 1.00 0.00 C ATOM 100 NZ LYS A 6 0.059 5.067 10.803 1.00 0.00 N ATOM 0 H LYS A 6 -3.627 3.535 7.045 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.534 6.482 7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.449 6.088 9.423 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.958 5.199 9.370 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.740 3.113 8.866 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.220 3.986 8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.068 3.735 11.245 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.586 2.833 11.003 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.839 5.849 11.324 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.170 4.728 12.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.712 5.499 11.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.419 4.132 10.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.014 5.676 9.963 1.00 0.00 H new ATOM 114 N THR A 7 -1.015 6.713 6.890 1.00 0.00 N ATOM 115 CA THR A 7 0.322 6.868 6.328 1.00 0.00 C ATOM 116 C THR A 7 1.365 7.023 7.447 1.00 0.00 C ATOM 117 O THR A 7 1.206 6.424 8.511 1.00 0.00 O ATOM 118 CB THR A 7 0.348 8.041 5.339 1.00 0.00 C ATOM 119 OG1 THR A 7 -0.967 8.510 5.072 1.00 0.00 O ATOM 120 CG2 THR A 7 0.986 7.669 4.014 1.00 0.00 C ATOM 0 H THR A 7 -1.391 7.555 7.327 1.00 0.00 H new ATOM 0 HA THR A 7 0.585 5.968 5.772 1.00 0.00 H new ATOM 0 HB THR A 7 0.945 8.819 5.816 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.079 8.637 4.107 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.979 8.534 3.351 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.014 7.349 4.182 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.424 6.856 3.555 1.00 0.00 H new ATOM 128 N LEU A 8 2.438 7.799 7.228 1.00 0.00 N ATOM 129 CA LEU A 8 3.460 7.954 8.262 1.00 0.00 C ATOM 130 C LEU A 8 2.906 8.667 9.497 1.00 0.00 C ATOM 131 O LEU A 8 3.310 8.369 10.621 1.00 0.00 O ATOM 132 CB LEU A 8 4.691 8.686 7.719 1.00 0.00 C ATOM 133 CG LEU A 8 4.476 10.159 7.359 1.00 0.00 C ATOM 134 CD1 LEU A 8 5.700 10.982 7.731 1.00 0.00 C ATOM 135 CD2 LEU A 8 4.163 10.306 5.879 1.00 0.00 C ATOM 0 H LEU A 8 2.614 8.315 6.366 1.00 0.00 H new ATOM 0 HA LEU A 8 3.767 6.953 8.566 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.486 8.624 8.462 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.042 8.160 6.831 1.00 0.00 H new ATOM 0 HG LEU A 8 3.625 10.532 7.928 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.530 12.026 7.468 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.880 10.902 8.803 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.568 10.608 7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.013 11.359 5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.994 9.916 5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.257 9.748 5.642 1.00 0.00 H new ATOM 147 N THR A 9 1.984 9.607 9.290 1.00 0.00 N ATOM 148 CA THR A 9 1.391 10.343 10.400 1.00 0.00 C ATOM 149 C THR A 9 -0.079 9.967 10.585 1.00 0.00 C ATOM 150 O THR A 9 -0.485 9.536 11.664 1.00 0.00 O ATOM 151 CB THR A 9 1.525 11.848 10.171 1.00 0.00 C ATOM 152 OG1 THR A 9 0.833 12.242 8.999 1.00 0.00 O ATOM 153 CG2 THR A 9 2.962 12.303 10.033 1.00 0.00 C ATOM 0 H THR A 9 1.635 9.874 8.369 1.00 0.00 H new ATOM 0 HA THR A 9 1.929 10.074 11.309 1.00 0.00 H new ATOM 0 HB THR A 9 1.095 12.316 11.056 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.930 13.209 8.871 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.989 13.381 9.872 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.510 12.058 10.943 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.424 11.798 9.184 1.00 0.00 H new ATOM 161 N GLY A 10 -0.874 10.130 9.528 1.00 0.00 N ATOM 162 CA GLY A 10 -2.285 9.797 9.609 1.00 0.00 C ATOM 163 C GLY A 10 -3.125 10.537 8.582 1.00 0.00 C ATOM 164 O GLY A 10 -4.063 11.250 8.939 1.00 0.00 O ATOM 0 H GLY A 10 -0.567 10.485 8.622 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.409 8.723 9.467 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.652 10.031 10.608 1.00 0.00 H new ATOM 168 N LYS A 11 -2.793 10.368 7.303 1.00 0.00 N ATOM 169 CA LYS A 11 -3.532 11.027 6.230 1.00 0.00 C ATOM 170 C LYS A 11 -4.772 10.221 5.848 1.00 0.00 C ATOM 171 O LYS A 11 -4.811 9.005 6.034 1.00 0.00 O ATOM 172 CB LYS A 11 -2.638 11.224 5.002 1.00 0.00 C ATOM 173 CG LYS A 11 -1.410 12.078 5.275 1.00 0.00 C ATOM 174 CD LYS A 11 -1.438 13.373 4.478 1.00 0.00 C ATOM 175 CE LYS A 11 -0.506 13.312 3.278 1.00 0.00 C ATOM 176 NZ LYS A 11 -0.877 12.215 2.342 1.00 0.00 N ATOM 0 H LYS A 11 -2.020 9.783 6.986 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.851 12.004 6.594 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.318 10.249 4.635 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.223 11.687 4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.355 12.307 6.339 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.511 11.515 5.023 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.455 13.571 4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.149 14.204 5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.532 14.265 2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.518 13.166 3.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.283 12.270 1.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.730 11.297 2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.877 12.311 2.074 1.00 0.00 H new ATOM 190 N THR A 12 -5.783 10.904 5.311 1.00 0.00 N ATOM 191 CA THR A 12 -7.018 10.242 4.906 1.00 0.00 C ATOM 192 C THR A 12 -7.066 10.063 3.388 1.00 0.00 C ATOM 193 O THR A 12 -7.126 11.042 2.644 1.00 0.00 O ATOM 194 CB THR A 12 -8.234 11.044 5.384 1.00 0.00 C ATOM 195 OG1 THR A 12 -9.434 10.306 5.202 1.00 0.00 O ATOM 196 CG2 THR A 12 -8.394 12.375 4.677 1.00 0.00 C ATOM 0 H THR A 12 -5.769 11.911 5.148 1.00 0.00 H new ATOM 0 HA THR A 12 -7.043 9.255 5.369 1.00 0.00 H new ATOM 0 HB THR A 12 -8.051 11.236 6.441 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.195 10.837 5.516 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.274 12.889 5.064 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.510 12.988 4.851 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.514 12.206 3.607 1.00 0.00 H new ATOM 204 N ILE A 13 -7.038 8.811 2.935 1.00 0.00 N ATOM 205 CA ILE A 13 -7.079 8.517 1.507 1.00 0.00 C ATOM 206 C ILE A 13 -8.319 7.702 1.148 1.00 0.00 C ATOM 207 O ILE A 13 -8.791 6.892 1.945 1.00 0.00 O ATOM 208 CB ILE A 13 -5.823 7.745 1.057 1.00 0.00 C ATOM 209 CG1 ILE A 13 -5.687 6.444 1.848 1.00 0.00 C ATOM 210 CG2 ILE A 13 -4.581 8.606 1.225 1.00 0.00 C ATOM 211 CD1 ILE A 13 -5.171 5.286 1.021 1.00 0.00 C ATOM 0 H ILE A 13 -6.987 7.988 3.535 1.00 0.00 H new ATOM 0 HA ILE A 13 -7.114 9.475 0.987 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.927 7.497 0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.013 6.608 2.689 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.658 6.178 2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.703 8.046 0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.678 9.507 0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.470 8.883 2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.100 4.396 1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.856 5.095 0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.185 5.532 0.626 1.00 0.00 H new ATOM 223 N THR A 14 -8.845 7.920 -0.057 1.00 0.00 N ATOM 224 CA THR A 14 -10.030 7.200 -0.512 1.00 0.00 C ATOM 225 C THR A 14 -9.660 6.142 -1.548 1.00 0.00 C ATOM 226 O THR A 14 -9.209 6.469 -2.646 1.00 0.00 O ATOM 227 CB THR A 14 -11.055 8.173 -1.104 1.00 0.00 C ATOM 228 OG1 THR A 14 -10.722 8.509 -2.443 1.00 0.00 O ATOM 229 CG2 THR A 14 -11.185 9.463 -0.319 1.00 0.00 C ATOM 0 H THR A 14 -8.470 8.587 -0.732 1.00 0.00 H new ATOM 0 HA THR A 14 -10.472 6.701 0.351 1.00 0.00 H new ATOM 0 HB THR A 14 -12.008 7.645 -1.059 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.865 8.097 -2.680 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.927 10.105 -0.794 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.499 9.239 0.700 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.223 9.975 -0.298 1.00 0.00 H new ATOM 237 N LEU A 15 -9.853 4.871 -1.197 1.00 0.00 N ATOM 238 CA LEU A 15 -9.537 3.774 -2.103 1.00 0.00 C ATOM 239 C LEU A 15 -10.718 2.813 -2.227 1.00 0.00 C ATOM 240 O LEU A 15 -11.378 2.498 -1.236 1.00 0.00 O ATOM 241 CB LEU A 15 -8.296 3.022 -1.613 1.00 0.00 C ATOM 242 CG LEU A 15 -7.201 2.828 -2.663 1.00 0.00 C ATOM 243 CD1 LEU A 15 -5.826 2.878 -2.016 1.00 0.00 C ATOM 244 CD2 LEU A 15 -7.398 1.512 -3.400 1.00 0.00 C ATOM 0 H LEU A 15 -10.226 4.579 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.331 4.194 -3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.874 3.562 -0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.604 2.043 -1.246 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.269 3.641 -3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.060 2.738 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.686 3.845 -1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.745 2.086 -1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.610 1.390 -4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.357 0.687 -2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.368 1.515 -3.897 1.00 0.00 H new ATOM 256 N GLU A 16 -10.982 2.349 -3.447 1.00 0.00 N ATOM 257 CA GLU A 16 -12.085 1.424 -3.688 1.00 0.00 C ATOM 258 C GLU A 16 -11.596 -0.023 -3.674 1.00 0.00 C ATOM 259 O GLU A 16 -10.399 -0.282 -3.809 1.00 0.00 O ATOM 260 CB GLU A 16 -12.758 1.735 -5.027 1.00 0.00 C ATOM 261 CG GLU A 16 -13.956 2.663 -4.905 1.00 0.00 C ATOM 262 CD GLU A 16 -15.277 1.928 -5.014 1.00 0.00 C ATOM 263 OE1 GLU A 16 -15.756 1.732 -6.150 1.00 0.00 O ATOM 264 OE2 GLU A 16 -15.834 1.549 -3.962 1.00 0.00 O ATOM 0 H GLU A 16 -10.449 2.598 -4.280 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.813 1.550 -2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.026 2.187 -5.696 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.078 0.801 -5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.912 3.183 -3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.902 3.424 -5.684 1.00 0.00 H new ATOM 271 N VAL A 17 -12.524 -0.963 -3.508 1.00 0.00 N ATOM 272 CA VAL A 17 -12.177 -2.378 -3.477 1.00 0.00 C ATOM 273 C VAL A 17 -13.061 -3.185 -4.425 1.00 0.00 C ATOM 274 O VAL A 17 -14.276 -3.255 -4.246 1.00 0.00 O ATOM 275 CB VAL A 17 -12.308 -2.957 -2.055 1.00 0.00 C ATOM 276 CG1 VAL A 17 -11.756 -4.373 -2.002 1.00 0.00 C ATOM 277 CG2 VAL A 17 -11.602 -2.063 -1.048 1.00 0.00 C ATOM 0 H VAL A 17 -13.519 -0.769 -3.393 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.139 -2.455 -3.800 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.365 -2.995 -1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -11.857 -4.765 -0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.311 -5.006 -2.694 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.703 -4.364 -2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.705 -2.488 -0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.545 -1.990 -1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -12.049 -1.069 -1.068 1.00 0.00 H new ATOM 287 N GLU A 18 -12.443 -3.798 -5.436 1.00 0.00 N ATOM 288 CA GLU A 18 -13.180 -4.599 -6.406 1.00 0.00 C ATOM 289 C GLU A 18 -13.047 -6.087 -6.090 1.00 0.00 C ATOM 290 O GLU A 18 -12.174 -6.491 -5.322 1.00 0.00 O ATOM 291 CB GLU A 18 -12.673 -4.319 -7.823 1.00 0.00 C ATOM 292 CG GLU A 18 -13.442 -3.221 -8.538 1.00 0.00 C ATOM 293 CD GLU A 18 -13.732 -3.559 -9.986 1.00 0.00 C ATOM 294 OE1 GLU A 18 -14.358 -4.611 -10.236 1.00 0.00 O ATOM 295 OE2 GLU A 18 -13.334 -2.773 -10.871 1.00 0.00 O ATOM 0 H GLU A 18 -11.437 -3.754 -5.601 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.233 -4.323 -6.345 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.620 -4.041 -7.775 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.735 -5.236 -8.410 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.382 -3.042 -8.016 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.870 -2.294 -8.493 1.00 0.00 H new ATOM 302 N PRO A 19 -13.917 -6.928 -6.679 1.00 0.00 N ATOM 303 CA PRO A 19 -13.892 -8.375 -6.454 1.00 0.00 C ATOM 304 C PRO A 19 -12.512 -8.981 -6.714 1.00 0.00 C ATOM 305 O PRO A 19 -11.859 -9.465 -5.788 1.00 0.00 O ATOM 306 CB PRO A 19 -14.923 -8.926 -7.453 1.00 0.00 C ATOM 307 CG PRO A 19 -15.228 -7.799 -8.383 1.00 0.00 C ATOM 308 CD PRO A 19 -14.988 -6.538 -7.605 1.00 0.00 C ATOM 0 HA PRO A 19 -14.121 -8.624 -5.418 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.524 -9.783 -7.995 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.823 -9.264 -6.940 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.590 -7.839 -9.266 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.259 -7.851 -8.732 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.684 -5.715 -8.252 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.883 -6.213 -7.075 1.00 0.00 H new ATOM 316 N SER A 20 -12.069 -8.955 -7.972 1.00 0.00 N ATOM 317 CA SER A 20 -10.762 -9.505 -8.335 1.00 0.00 C ATOM 318 C SER A 20 -9.651 -8.453 -8.249 1.00 0.00 C ATOM 319 O SER A 20 -8.724 -8.462 -9.058 1.00 0.00 O ATOM 320 CB SER A 20 -10.810 -10.093 -9.748 1.00 0.00 C ATOM 321 OG SER A 20 -11.946 -10.922 -9.919 1.00 0.00 O ATOM 0 H SER A 20 -12.593 -8.561 -8.753 1.00 0.00 H new ATOM 0 HA SER A 20 -10.531 -10.292 -7.617 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.832 -9.286 -10.480 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.904 -10.669 -9.936 1.00 0.00 H new ATOM 0 HG SER A 20 -11.953 -11.283 -10.830 1.00 0.00 H new ATOM 327 N ASP A 21 -9.736 -7.548 -7.273 1.00 0.00 N ATOM 328 CA ASP A 21 -8.721 -6.510 -7.112 1.00 0.00 C ATOM 329 C ASP A 21 -7.445 -7.085 -6.501 1.00 0.00 C ATOM 330 O ASP A 21 -7.437 -7.504 -5.343 1.00 0.00 O ATOM 331 CB ASP A 21 -9.251 -5.371 -6.238 1.00 0.00 C ATOM 332 CG ASP A 21 -8.546 -4.055 -6.513 1.00 0.00 C ATOM 333 OD1 ASP A 21 -8.771 -3.477 -7.597 1.00 0.00 O ATOM 334 OD2 ASP A 21 -7.772 -3.605 -5.643 1.00 0.00 O ATOM 0 H ASP A 21 -10.491 -7.514 -6.588 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.485 -6.116 -8.101 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.320 -5.251 -6.412 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.126 -5.634 -5.188 1.00 0.00 H new ATOM 339 N THR A 22 -6.365 -7.103 -7.281 1.00 0.00 N ATOM 340 CA THR A 22 -5.089 -7.627 -6.801 1.00 0.00 C ATOM 341 C THR A 22 -4.307 -6.551 -6.051 1.00 0.00 C ATOM 342 O THR A 22 -4.714 -5.390 -6.016 1.00 0.00 O ATOM 343 CB THR A 22 -4.254 -8.161 -7.968 1.00 0.00 C ATOM 344 OG1 THR A 22 -3.057 -8.755 -7.497 1.00 0.00 O ATOM 345 CG2 THR A 22 -3.874 -7.094 -8.971 1.00 0.00 C ATOM 0 H THR A 22 -6.348 -6.763 -8.242 1.00 0.00 H new ATOM 0 HA THR A 22 -5.300 -8.446 -6.114 1.00 0.00 H new ATOM 0 HB THR A 22 -4.889 -8.893 -8.466 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.244 -9.266 -6.682 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.284 -7.541 -9.771 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.777 -6.651 -9.390 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.287 -6.321 -8.475 1.00 0.00 H new ATOM 353 N ILE A 23 -3.181 -6.940 -5.453 1.00 0.00 N ATOM 354 CA ILE A 23 -2.352 -5.996 -4.708 1.00 0.00 C ATOM 355 C ILE A 23 -1.702 -4.978 -5.646 1.00 0.00 C ATOM 356 O ILE A 23 -1.619 -3.792 -5.322 1.00 0.00 O ATOM 357 CB ILE A 23 -1.249 -6.717 -3.901 1.00 0.00 C ATOM 358 CG1 ILE A 23 -1.873 -7.730 -2.940 1.00 0.00 C ATOM 359 CG2 ILE A 23 -0.402 -5.711 -3.136 1.00 0.00 C ATOM 360 CD1 ILE A 23 -2.844 -7.113 -1.958 1.00 0.00 C ATOM 0 H ILE A 23 -2.825 -7.896 -5.470 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.013 -5.479 -4.013 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.602 -7.250 -4.598 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.391 -8.496 -3.518 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.079 -8.231 -2.387 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.369 -6.238 -2.574 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.067 -5.022 -3.838 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.035 -5.152 -2.447 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.247 -7.890 -1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.326 -6.368 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.659 -6.636 -2.503 1.00 0.00 H new ATOM 372 N GLU A 24 -1.241 -5.443 -6.807 1.00 0.00 N ATOM 373 CA GLU A 24 -0.599 -4.560 -7.782 1.00 0.00 C ATOM 374 C GLU A 24 -1.496 -3.369 -8.122 1.00 0.00 C ATOM 375 O GLU A 24 -1.016 -2.244 -8.264 1.00 0.00 O ATOM 376 CB GLU A 24 -0.252 -5.328 -9.062 1.00 0.00 C ATOM 377 CG GLU A 24 1.022 -4.845 -9.736 1.00 0.00 C ATOM 378 CD GLU A 24 1.653 -5.904 -10.618 1.00 0.00 C ATOM 379 OE1 GLU A 24 1.763 -7.064 -10.167 1.00 0.00 O ATOM 380 OE2 GLU A 24 2.038 -5.574 -11.760 1.00 0.00 O ATOM 0 H GLU A 24 -1.299 -6.420 -7.095 1.00 0.00 H new ATOM 0 HA GLU A 24 0.320 -4.185 -7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.148 -6.386 -8.824 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.081 -5.240 -9.765 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.799 -3.963 -10.337 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.738 -4.539 -8.974 1.00 0.00 H new ATOM 387 N ASN A 25 -2.799 -3.619 -8.253 1.00 0.00 N ATOM 388 CA ASN A 25 -3.749 -2.556 -8.576 1.00 0.00 C ATOM 389 C ASN A 25 -3.784 -1.502 -7.471 1.00 0.00 C ATOM 390 O ASN A 25 -3.590 -0.314 -7.730 1.00 0.00 O ATOM 391 CB ASN A 25 -5.152 -3.132 -8.789 1.00 0.00 C ATOM 392 CG ASN A 25 -5.406 -3.519 -10.235 1.00 0.00 C ATOM 393 OD1 ASN A 25 -5.334 -4.695 -10.593 1.00 0.00 O ATOM 394 ND2 ASN A 25 -5.705 -2.533 -11.078 1.00 0.00 N ATOM 0 H ASN A 25 -3.218 -4.542 -8.141 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.417 -2.082 -9.500 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.283 -4.008 -8.153 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.894 -2.398 -8.477 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.884 -2.739 -12.061 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.755 -1.572 -10.741 1.00 0.00 H new ATOM 401 N VAL A 26 -4.031 -1.941 -6.238 1.00 0.00 N ATOM 402 CA VAL A 26 -4.088 -1.025 -5.101 1.00 0.00 C ATOM 403 C VAL A 26 -2.732 -0.358 -4.857 1.00 0.00 C ATOM 404 O VAL A 26 -2.670 0.816 -4.494 1.00 0.00 O ATOM 405 CB VAL A 26 -4.538 -1.741 -3.810 1.00 0.00 C ATOM 406 CG1 VAL A 26 -3.539 -2.816 -3.411 1.00 0.00 C ATOM 407 CG2 VAL A 26 -4.734 -0.738 -2.682 1.00 0.00 C ATOM 0 H VAL A 26 -4.194 -2.920 -6.002 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.825 -0.263 -5.354 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.494 -2.226 -4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.878 -3.307 -2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.458 -3.552 -4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.564 -2.360 -3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.051 -1.262 -1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.795 -0.219 -2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.496 -0.013 -2.968 1.00 0.00 H new ATOM 417 N LYS A 27 -1.649 -1.110 -5.058 1.00 0.00 N ATOM 418 CA LYS A 27 -0.302 -0.576 -4.855 1.00 0.00 C ATOM 419 C LYS A 27 -0.079 0.679 -5.699 1.00 0.00 C ATOM 420 O LYS A 27 0.520 1.648 -5.233 1.00 0.00 O ATOM 421 CB LYS A 27 0.755 -1.629 -5.200 1.00 0.00 C ATOM 422 CG LYS A 27 2.114 -1.354 -4.575 1.00 0.00 C ATOM 423 CD LYS A 27 3.236 -1.508 -5.589 1.00 0.00 C ATOM 424 CE LYS A 27 4.592 -1.600 -4.909 1.00 0.00 C ATOM 425 NZ LYS A 27 5.701 -1.727 -5.895 1.00 0.00 N ATOM 0 H LYS A 27 -1.677 -2.084 -5.359 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.205 -0.310 -3.802 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.403 -2.606 -4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.866 -1.679 -6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.129 -0.344 -4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.278 -2.039 -3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.067 -2.403 -6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.228 -0.660 -6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.751 -0.713 -4.296 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.604 -2.458 -4.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.609 -1.787 -5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.563 -2.587 -6.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.707 -0.896 -6.520 1.00 0.00 H new ATOM 439 N ALA A 28 -0.563 0.657 -6.940 1.00 0.00 N ATOM 440 CA ALA A 28 -0.409 1.801 -7.836 1.00 0.00 C ATOM 441 C ALA A 28 -1.025 3.062 -7.231 1.00 0.00 C ATOM 442 O ALA A 28 -0.480 4.156 -7.376 1.00 0.00 O ATOM 443 CB ALA A 28 -1.034 1.509 -9.194 1.00 0.00 C ATOM 0 H ALA A 28 -1.062 -0.135 -7.345 1.00 0.00 H new ATOM 0 HA ALA A 28 0.658 1.975 -7.972 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.908 2.374 -9.846 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.545 0.643 -9.641 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.097 1.301 -9.068 1.00 0.00 H new ATOM 449 N LYS A 29 -2.162 2.906 -6.551 1.00 0.00 N ATOM 450 CA LYS A 29 -2.836 4.043 -5.929 1.00 0.00 C ATOM 451 C LYS A 29 -1.965 4.658 -4.835 1.00 0.00 C ATOM 452 O LYS A 29 -1.854 5.879 -4.736 1.00 0.00 O ATOM 453 CB LYS A 29 -4.186 3.616 -5.343 1.00 0.00 C ATOM 454 CG LYS A 29 -5.304 3.557 -6.370 1.00 0.00 C ATOM 455 CD LYS A 29 -5.539 2.136 -6.857 1.00 0.00 C ATOM 456 CE LYS A 29 -6.515 2.100 -8.022 1.00 0.00 C ATOM 457 NZ LYS A 29 -5.823 2.264 -9.331 1.00 0.00 N ATOM 0 H LYS A 29 -2.631 2.010 -6.418 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.009 4.793 -6.700 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.078 2.635 -4.880 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.466 4.313 -4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.222 3.949 -5.933 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.056 4.197 -7.217 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.591 1.693 -7.162 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.926 1.529 -6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.056 1.154 -8.013 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.255 2.891 -7.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.523 2.234 -10.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.327 3.178 -9.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.135 1.495 -9.459 1.00 0.00 H new ATOM 471 N ILE A 30 -1.347 3.807 -4.017 1.00 0.00 N ATOM 472 CA ILE A 30 -0.487 4.281 -2.937 1.00 0.00 C ATOM 473 C ILE A 30 0.759 4.968 -3.495 1.00 0.00 C ATOM 474 O ILE A 30 1.104 6.074 -3.082 1.00 0.00 O ATOM 475 CB ILE A 30 -0.054 3.131 -2.004 1.00 0.00 C ATOM 476 CG1 ILE A 30 -1.279 2.358 -1.508 1.00 0.00 C ATOM 477 CG2 ILE A 30 0.748 3.671 -0.828 1.00 0.00 C ATOM 478 CD1 ILE A 30 -1.117 0.855 -1.588 1.00 0.00 C ATOM 0 H ILE A 30 -1.426 2.792 -4.082 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.072 4.997 -2.360 1.00 0.00 H new ATOM 0 HB ILE A 30 0.581 2.448 -2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.482 2.639 -0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.148 2.654 -2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.045 2.846 -0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.638 4.180 -1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.136 4.374 -0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.022 0.371 -1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.944 0.562 -2.624 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.268 0.548 -0.977 1.00 0.00 H new ATOM 490 N GLN A 31 1.429 4.308 -4.439 1.00 0.00 N ATOM 491 CA GLN A 31 2.632 4.869 -5.050 1.00 0.00 C ATOM 492 C GLN A 31 2.324 6.201 -5.732 1.00 0.00 C ATOM 493 O GLN A 31 3.093 7.154 -5.623 1.00 0.00 O ATOM 494 CB GLN A 31 3.229 3.890 -6.067 1.00 0.00 C ATOM 495 CG GLN A 31 4.509 4.391 -6.714 1.00 0.00 C ATOM 496 CD GLN A 31 5.756 3.840 -6.045 1.00 0.00 C ATOM 497 OE1 GLN A 31 6.136 4.284 -4.962 1.00 0.00 O ATOM 498 NE2 GLN A 31 6.403 2.869 -6.686 1.00 0.00 N ATOM 0 H GLN A 31 1.161 3.390 -4.795 1.00 0.00 H new ATOM 0 HA GLN A 31 3.360 5.042 -4.257 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.430 2.941 -5.570 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.492 3.693 -6.845 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.513 4.111 -7.768 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.530 5.480 -6.673 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.054 2.529 -7.582 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.247 2.465 -6.281 1.00 0.00 H new ATOM 507 N ASP A 32 1.193 6.261 -6.434 1.00 0.00 N ATOM 508 CA ASP A 32 0.791 7.483 -7.129 1.00 0.00 C ATOM 509 C ASP A 32 0.597 8.643 -6.147 1.00 0.00 C ATOM 510 O ASP A 32 0.724 9.807 -6.526 1.00 0.00 O ATOM 511 CB ASP A 32 -0.499 7.253 -7.920 1.00 0.00 C ATOM 512 CG ASP A 32 -0.231 6.794 -9.340 1.00 0.00 C ATOM 513 OD1 ASP A 32 0.778 6.091 -9.557 1.00 0.00 O ATOM 514 OD2 ASP A 32 -1.031 7.136 -10.236 1.00 0.00 O ATOM 0 H ASP A 32 0.542 5.482 -6.536 1.00 0.00 H new ATOM 0 HA ASP A 32 1.592 7.747 -7.820 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.108 6.507 -7.409 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.078 8.176 -7.942 1.00 0.00 H new ATOM 519 N LYS A 33 0.286 8.326 -4.888 1.00 0.00 N ATOM 520 CA LYS A 33 0.075 9.360 -3.878 1.00 0.00 C ATOM 521 C LYS A 33 1.402 9.972 -3.432 1.00 0.00 C ATOM 522 O LYS A 33 1.627 11.170 -3.604 1.00 0.00 O ATOM 523 CB LYS A 33 -0.667 8.787 -2.665 1.00 0.00 C ATOM 524 CG LYS A 33 -1.966 8.084 -3.024 1.00 0.00 C ATOM 525 CD LYS A 33 -3.138 8.627 -2.222 1.00 0.00 C ATOM 526 CE LYS A 33 -3.733 9.866 -2.872 1.00 0.00 C ATOM 527 NZ LYS A 33 -4.198 10.856 -1.862 1.00 0.00 N ATOM 0 H LYS A 33 0.176 7.371 -4.548 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.534 10.144 -4.329 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.014 8.084 -2.149 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.882 9.595 -1.966 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.165 8.208 -4.089 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.864 7.014 -2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.905 7.858 -2.132 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.808 8.868 -1.212 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.988 10.330 -3.518 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.570 9.576 -3.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.534 11.713 -2.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.975 10.445 -1.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.411 11.102 -1.229 1.00 0.00 H new ATOM 541 N GLU A 34 2.280 9.151 -2.856 1.00 0.00 N ATOM 542 CA GLU A 34 3.575 9.631 -2.390 1.00 0.00 C ATOM 543 C GLU A 34 4.689 9.231 -3.355 1.00 0.00 C ATOM 544 O GLU A 34 5.537 10.051 -3.707 1.00 0.00 O ATOM 545 CB GLU A 34 3.873 9.082 -0.993 1.00 0.00 C ATOM 546 CG GLU A 34 3.490 10.035 0.129 1.00 0.00 C ATOM 547 CD GLU A 34 2.360 9.503 0.987 1.00 0.00 C ATOM 548 OE1 GLU A 34 1.218 9.428 0.486 1.00 0.00 O ATOM 549 OE2 GLU A 34 2.615 9.161 2.161 1.00 0.00 O ATOM 0 H GLU A 34 2.117 8.156 -2.703 1.00 0.00 H new ATOM 0 HA GLU A 34 3.534 10.719 -2.346 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.338 8.142 -0.859 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.937 8.856 -0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.362 10.220 0.757 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.196 10.994 -0.298 1.00 0.00 H new ATOM 556 N GLY A 35 4.689 7.967 -3.776 1.00 0.00 N ATOM 557 CA GLY A 35 5.712 7.494 -4.686 1.00 0.00 C ATOM 558 C GLY A 35 6.965 7.056 -3.953 1.00 0.00 C ATOM 559 O GLY A 35 8.077 7.368 -4.373 1.00 0.00 O ATOM 0 H GLY A 35 4.000 7.267 -3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.322 6.659 -5.268 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.963 8.285 -5.392 1.00 0.00 H new ATOM 563 N ILE A 36 6.780 6.335 -2.846 1.00 0.00 N ATOM 564 CA ILE A 36 7.906 5.860 -2.044 1.00 0.00 C ATOM 565 C ILE A 36 8.557 4.624 -2.673 1.00 0.00 C ATOM 566 O ILE A 36 7.963 3.546 -2.701 1.00 0.00 O ATOM 567 CB ILE A 36 7.461 5.524 -0.602 1.00 0.00 C ATOM 568 CG1 ILE A 36 8.668 5.145 0.259 1.00 0.00 C ATOM 569 CG2 ILE A 36 6.430 4.405 -0.604 1.00 0.00 C ATOM 570 CD1 ILE A 36 8.363 5.102 1.741 1.00 0.00 C ATOM 0 H ILE A 36 5.864 6.068 -2.486 1.00 0.00 H new ATOM 0 HA ILE A 36 8.637 6.668 -2.013 1.00 0.00 H new ATOM 0 HB ILE A 36 6.998 6.412 -0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.037 4.169 -0.056 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.470 5.862 0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.131 4.184 0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.557 4.715 -1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.863 3.512 -1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.264 4.827 2.290 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.023 6.083 2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.583 4.365 1.931 1.00 0.00 H new ATOM 582 N PRO A 37 9.792 4.766 -3.196 1.00 0.00 N ATOM 583 CA PRO A 37 10.519 3.657 -3.834 1.00 0.00 C ATOM 584 C PRO A 37 10.761 2.471 -2.896 1.00 0.00 C ATOM 585 O PRO A 37 10.559 1.320 -3.285 1.00 0.00 O ATOM 586 CB PRO A 37 11.856 4.284 -4.246 1.00 0.00 C ATOM 587 CG PRO A 37 11.602 5.751 -4.282 1.00 0.00 C ATOM 588 CD PRO A 37 10.577 6.015 -3.219 1.00 0.00 C ATOM 0 HA PRO A 37 9.947 3.243 -4.664 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.643 4.038 -3.533 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.181 3.916 -5.219 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.517 6.311 -4.090 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.238 6.061 -5.262 1.00 0.00 H new ATOM 0 HD2 PRO A 37 11.040 6.218 -2.253 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.956 6.877 -3.462 1.00 0.00 H new ATOM 596 N PRO A 38 11.211 2.728 -1.650 1.00 0.00 N ATOM 597 CA PRO A 38 11.492 1.674 -0.669 1.00 0.00 C ATOM 598 C PRO A 38 10.494 0.516 -0.718 1.00 0.00 C ATOM 599 O PRO A 38 9.288 0.710 -0.562 1.00 0.00 O ATOM 600 CB PRO A 38 11.390 2.423 0.654 1.00 0.00 C ATOM 601 CG PRO A 38 11.892 3.790 0.337 1.00 0.00 C ATOM 602 CD PRO A 38 11.496 4.067 -1.093 1.00 0.00 C ATOM 0 HA PRO A 38 12.455 1.195 -0.846 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.363 2.450 1.019 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.991 1.947 1.429 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.458 4.529 1.010 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.974 3.844 0.458 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.622 4.716 -1.147 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.297 4.565 -1.640 1.00 0.00 H new ATOM 610 N ASP A 39 11.015 -0.696 -0.935 1.00 0.00 N ATOM 611 CA ASP A 39 10.185 -1.900 -1.005 1.00 0.00 C ATOM 612 C ASP A 39 9.583 -2.286 0.353 1.00 0.00 C ATOM 613 O ASP A 39 8.813 -3.243 0.433 1.00 0.00 O ATOM 614 CB ASP A 39 10.999 -3.076 -1.556 1.00 0.00 C ATOM 615 CG ASP A 39 10.132 -4.093 -2.272 1.00 0.00 C ATOM 616 OD1 ASP A 39 8.930 -4.183 -1.946 1.00 0.00 O ATOM 617 OD2 ASP A 39 10.656 -4.801 -3.158 1.00 0.00 O ATOM 0 H ASP A 39 12.012 -0.868 -1.065 1.00 0.00 H new ATOM 0 HA ASP A 39 9.358 -1.670 -1.677 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.756 -2.700 -2.244 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.527 -3.565 -0.737 1.00 0.00 H new ATOM 622 N GLN A 40 9.931 -1.563 1.423 1.00 0.00 N ATOM 623 CA GLN A 40 9.405 -1.880 2.750 1.00 0.00 C ATOM 624 C GLN A 40 8.100 -1.133 3.049 1.00 0.00 C ATOM 625 O GLN A 40 7.633 -1.136 4.188 1.00 0.00 O ATOM 626 CB GLN A 40 10.445 -1.552 3.825 1.00 0.00 C ATOM 627 CG GLN A 40 11.815 -2.147 3.548 1.00 0.00 C ATOM 628 CD GLN A 40 12.914 -1.483 4.358 1.00 0.00 C ATOM 629 OE1 GLN A 40 13.544 -2.117 5.205 1.00 0.00 O ATOM 630 NE2 GLN A 40 13.153 -0.197 4.104 1.00 0.00 N ATOM 0 H GLN A 40 10.566 -0.765 1.395 1.00 0.00 H new ATOM 0 HA GLN A 40 9.187 -2.948 2.762 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.539 -0.469 3.910 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.088 -1.917 4.788 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.796 -3.213 3.773 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.042 -2.049 2.486 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.608 0.292 3.394 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.881 0.298 4.620 1.00 0.00 H new ATOM 639 N GLN A 41 7.502 -0.504 2.034 1.00 0.00 N ATOM 640 CA GLN A 41 6.249 0.220 2.226 1.00 0.00 C ATOM 641 C GLN A 41 5.058 -0.714 2.025 1.00 0.00 C ATOM 642 O GLN A 41 4.471 -0.760 0.944 1.00 0.00 O ATOM 643 CB GLN A 41 6.155 1.403 1.259 1.00 0.00 C ATOM 644 CG GLN A 41 4.894 2.234 1.434 1.00 0.00 C ATOM 645 CD GLN A 41 3.796 1.844 0.459 1.00 0.00 C ATOM 646 OE1 GLN A 41 2.697 1.471 0.867 1.00 0.00 O ATOM 647 NE2 GLN A 41 4.086 1.929 -0.838 1.00 0.00 N ATOM 0 H GLN A 41 7.863 -0.483 1.080 1.00 0.00 H new ATOM 0 HA GLN A 41 6.230 0.602 3.247 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.025 2.045 1.398 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.195 1.029 0.236 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.527 2.119 2.454 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.137 3.288 1.299 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.010 2.243 -1.134 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.384 1.680 -1.535 1.00 0.00 H new ATOM 656 N ARG A 42 4.709 -1.468 3.068 1.00 0.00 N ATOM 657 CA ARG A 42 3.594 -2.405 2.992 1.00 0.00 C ATOM 658 C ARG A 42 2.732 -2.333 4.252 1.00 0.00 C ATOM 659 O ARG A 42 2.966 -1.498 5.124 1.00 0.00 O ATOM 660 CB ARG A 42 4.112 -3.834 2.796 1.00 0.00 C ATOM 661 CG ARG A 42 5.262 -3.941 1.805 1.00 0.00 C ATOM 662 CD ARG A 42 6.122 -5.166 2.081 1.00 0.00 C ATOM 663 NE ARG A 42 7.296 -5.226 1.209 1.00 0.00 N ATOM 664 CZ ARG A 42 8.390 -5.935 1.489 1.00 0.00 C ATOM 665 NH1 ARG A 42 8.461 -6.646 2.608 1.00 0.00 N ATOM 666 NH2 ARG A 42 9.414 -5.936 0.646 1.00 0.00 N ATOM 0 H ARG A 42 5.182 -1.447 3.971 1.00 0.00 H new ATOM 0 HA ARG A 42 2.978 -2.127 2.136 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.437 -4.228 3.759 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.291 -4.464 2.455 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.866 -3.994 0.791 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.877 -3.043 1.861 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.445 -5.154 3.122 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.523 -6.066 1.944 1.00 0.00 H new ATOM 0 HE ARG A 42 7.276 -4.696 0.338 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.676 -6.652 3.259 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.301 -7.186 2.817 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.365 -5.394 -0.217 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.251 -6.478 0.861 1.00 0.00 H new ATOM 680 N LEU A 43 1.736 -3.216 4.344 1.00 0.00 N ATOM 681 CA LEU A 43 0.850 -3.245 5.501 1.00 0.00 C ATOM 682 C LEU A 43 1.288 -4.319 6.494 1.00 0.00 C ATOM 683 O LEU A 43 1.920 -5.305 6.113 1.00 0.00 O ATOM 684 CB LEU A 43 -0.593 -3.502 5.061 1.00 0.00 C ATOM 685 CG LEU A 43 -1.112 -2.572 3.962 1.00 0.00 C ATOM 686 CD1 LEU A 43 -2.011 -3.332 2.998 1.00 0.00 C ATOM 687 CD2 LEU A 43 -1.855 -1.393 4.571 1.00 0.00 C ATOM 0 H LEU A 43 1.526 -3.916 3.633 1.00 0.00 H new ATOM 0 HA LEU A 43 0.905 -2.274 5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.672 -4.531 4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.244 -3.410 5.931 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.258 -2.189 3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.370 -2.654 2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.447 -4.143 2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.861 -3.745 3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.218 -0.741 3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.700 -1.758 5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.181 -0.834 5.219 1.00 0.00 H new ATOM 699 N ILE A 44 0.951 -4.126 7.768 1.00 0.00 N ATOM 700 CA ILE A 44 1.315 -5.082 8.805 1.00 0.00 C ATOM 701 C ILE A 44 0.079 -5.804 9.344 1.00 0.00 C ATOM 702 O ILE A 44 -0.345 -5.569 10.476 1.00 0.00 O ATOM 703 CB ILE A 44 2.053 -4.392 9.971 1.00 0.00 C ATOM 704 CG1 ILE A 44 2.471 -5.419 11.025 1.00 0.00 C ATOM 705 CG2 ILE A 44 1.178 -3.309 10.590 1.00 0.00 C ATOM 706 CD1 ILE A 44 3.498 -4.894 12.006 1.00 0.00 C ATOM 0 H ILE A 44 0.428 -3.317 8.104 1.00 0.00 H new ATOM 0 HA ILE A 44 1.984 -5.811 8.348 1.00 0.00 H new ATOM 0 HB ILE A 44 2.954 -3.921 9.579 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.588 -5.744 11.575 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.875 -6.298 10.524 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.714 -2.833 11.411 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.934 -2.562 9.834 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.259 -3.756 10.968 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.748 -5.675 12.724 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.397 -4.596 11.467 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.089 -4.033 12.534 1.00 0.00 H new ATOM 718 N PHE A 45 -0.498 -6.686 8.529 1.00 0.00 N ATOM 719 CA PHE A 45 -1.684 -7.435 8.935 1.00 0.00 C ATOM 720 C PHE A 45 -1.744 -8.796 8.241 1.00 0.00 C ATOM 721 O PHE A 45 -1.571 -8.890 7.026 1.00 0.00 O ATOM 722 CB PHE A 45 -2.949 -6.633 8.624 1.00 0.00 C ATOM 723 CG PHE A 45 -4.007 -6.745 9.685 1.00 0.00 C ATOM 724 CD1 PHE A 45 -4.663 -7.945 9.903 1.00 0.00 C ATOM 725 CD2 PHE A 45 -4.342 -5.650 10.464 1.00 0.00 C ATOM 726 CE1 PHE A 45 -5.636 -8.051 10.879 1.00 0.00 C ATOM 727 CE2 PHE A 45 -5.314 -5.749 11.441 1.00 0.00 C ATOM 728 CZ PHE A 45 -5.962 -6.951 11.649 1.00 0.00 C ATOM 0 H PHE A 45 -0.165 -6.898 7.589 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.622 -7.604 10.010 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.682 -5.584 8.498 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.361 -6.974 7.674 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.412 -8.808 9.304 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.838 -4.708 10.306 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.141 -8.992 11.040 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.567 -4.888 12.041 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.722 -7.031 12.412 1.00 0.00 H new ATOM 738 N ALA A 46 -1.995 -9.847 9.020 1.00 0.00 N ATOM 739 CA ALA A 46 -2.081 -11.199 8.478 1.00 0.00 C ATOM 740 C ALA A 46 -0.807 -11.592 7.727 1.00 0.00 C ATOM 741 O ALA A 46 -0.854 -12.406 6.805 1.00 0.00 O ATOM 742 CB ALA A 46 -3.290 -11.319 7.561 1.00 0.00 C ATOM 0 H ALA A 46 -2.142 -9.787 10.028 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.194 -11.886 9.317 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.345 -12.332 7.162 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.197 -11.101 8.125 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.195 -10.610 6.739 1.00 0.00 H new ATOM 748 N GLY A 47 0.332 -11.018 8.127 1.00 0.00 N ATOM 749 CA GLY A 47 1.594 -11.335 7.477 1.00 0.00 C ATOM 750 C GLY A 47 1.494 -11.348 5.959 1.00 0.00 C ATOM 751 O GLY A 47 2.080 -12.209 5.304 1.00 0.00 O ATOM 0 H GLY A 47 0.400 -10.342 8.887 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.346 -10.606 7.780 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.939 -12.310 7.821 1.00 0.00 H new ATOM 755 N LYS A 48 0.752 -10.395 5.397 1.00 0.00 N ATOM 756 CA LYS A 48 0.586 -10.315 3.950 1.00 0.00 C ATOM 757 C LYS A 48 1.509 -9.255 3.353 1.00 0.00 C ATOM 758 O LYS A 48 1.521 -8.108 3.802 1.00 0.00 O ATOM 759 CB LYS A 48 -0.869 -10.001 3.597 1.00 0.00 C ATOM 760 CG LYS A 48 -1.329 -8.631 4.072 1.00 0.00 C ATOM 761 CD LYS A 48 -1.595 -7.690 2.905 1.00 0.00 C ATOM 762 CE LYS A 48 -2.929 -6.977 3.055 1.00 0.00 C ATOM 763 NZ LYS A 48 -3.026 -6.245 4.348 1.00 0.00 N ATOM 0 H LYS A 48 0.259 -9.671 5.920 1.00 0.00 H new ATOM 0 HA LYS A 48 0.853 -11.283 3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.993 -10.062 2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.513 -10.763 4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.236 -8.738 4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.570 -8.198 4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.794 -6.954 2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.586 -8.254 1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.061 -6.276 2.231 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.739 -7.704 2.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.667 -5.433 4.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.396 -6.883 5.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.083 -5.907 4.627 1.00 0.00 H new ATOM 777 N GLN A 49 2.283 -9.642 2.340 1.00 0.00 N ATOM 778 CA GLN A 49 3.205 -8.717 1.689 1.00 0.00 C ATOM 779 C GLN A 49 2.522 -7.983 0.537 1.00 0.00 C ATOM 780 O GLN A 49 1.605 -8.514 -0.090 1.00 0.00 O ATOM 781 CB GLN A 49 4.440 -9.463 1.174 1.00 0.00 C ATOM 782 CG GLN A 49 5.553 -9.577 2.201 1.00 0.00 C ATOM 783 CD GLN A 49 6.737 -10.381 1.693 1.00 0.00 C ATOM 784 OE1 GLN A 49 6.611 -11.153 0.742 1.00 0.00 O ATOM 785 NE2 GLN A 49 7.896 -10.207 2.325 1.00 0.00 N ATOM 0 H GLN A 49 2.289 -10.586 1.955 1.00 0.00 H new ATOM 0 HA GLN A 49 3.519 -7.981 2.430 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.144 -10.463 0.858 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.822 -8.950 0.291 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.889 -8.578 2.479 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.162 -10.045 3.105 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.957 -9.557 3.109 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.723 -10.724 2.025 1.00 0.00 H new ATOM 794 N LEU A 50 2.974 -6.761 0.262 1.00 0.00 N ATOM 795 CA LEU A 50 2.401 -5.959 -0.817 1.00 0.00 C ATOM 796 C LEU A 50 2.938 -6.395 -2.185 1.00 0.00 C ATOM 797 O LEU A 50 2.318 -6.119 -3.213 1.00 0.00 O ATOM 798 CB LEU A 50 2.694 -4.473 -0.596 1.00 0.00 C ATOM 799 CG LEU A 50 1.559 -3.525 -0.987 1.00 0.00 C ATOM 800 CD1 LEU A 50 0.508 -3.470 0.110 1.00 0.00 C ATOM 801 CD2 LEU A 50 2.104 -2.134 -1.274 1.00 0.00 C ATOM 0 H LEU A 50 3.733 -6.306 0.770 1.00 0.00 H new ATOM 0 HA LEU A 50 1.323 -6.118 -0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.931 -4.317 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.584 -4.205 -1.166 1.00 0.00 H new ATOM 0 HG LEU A 50 1.089 -3.905 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.291 -2.791 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.097 -4.467 0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.964 -3.113 1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.284 -1.472 -1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.599 -1.746 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.821 -2.186 -2.094 1.00 0.00 H new ATOM 813 N GLU A 51 4.089 -7.068 -2.202 1.00 0.00 N ATOM 814 CA GLU A 51 4.686 -7.523 -3.456 1.00 0.00 C ATOM 815 C GLU A 51 3.999 -8.788 -3.974 1.00 0.00 C ATOM 816 O GLU A 51 3.846 -8.964 -5.182 1.00 0.00 O ATOM 817 CB GLU A 51 6.185 -7.782 -3.276 1.00 0.00 C ATOM 818 CG GLU A 51 6.496 -8.892 -2.284 1.00 0.00 C ATOM 819 CD GLU A 51 7.937 -9.358 -2.366 1.00 0.00 C ATOM 820 OE1 GLU A 51 8.362 -9.783 -3.460 1.00 0.00 O ATOM 821 OE2 GLU A 51 8.640 -9.297 -1.335 1.00 0.00 O ATOM 0 H GLU A 51 4.623 -7.308 -1.367 1.00 0.00 H new ATOM 0 HA GLU A 51 4.546 -6.732 -4.192 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.620 -8.037 -4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.667 -6.863 -2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.288 -8.540 -1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.833 -9.737 -2.470 1.00 0.00 H new ATOM 828 N ASP A 52 3.580 -9.665 -3.058 1.00 0.00 N ATOM 829 CA ASP A 52 2.907 -10.899 -3.431 1.00 0.00 C ATOM 830 C ASP A 52 1.810 -10.617 -4.441 1.00 0.00 C ATOM 831 O ASP A 52 0.833 -9.935 -4.130 1.00 0.00 O ATOM 832 CB ASP A 52 2.317 -11.592 -2.198 1.00 0.00 C ATOM 833 CG ASP A 52 3.381 -12.228 -1.327 1.00 0.00 C ATOM 834 OD1 ASP A 52 4.489 -11.659 -1.232 1.00 0.00 O ATOM 835 OD2 ASP A 52 3.106 -13.295 -0.739 1.00 0.00 O ATOM 0 H ASP A 52 3.698 -9.538 -2.053 1.00 0.00 H new ATOM 0 HA ASP A 52 3.643 -11.564 -3.883 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.757 -10.865 -1.610 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.609 -12.356 -2.518 1.00 0.00 H new ATOM 840 N GLY A 53 1.970 -11.137 -5.646 1.00 0.00 N ATOM 841 CA GLY A 53 0.976 -10.925 -6.680 1.00 0.00 C ATOM 842 C GLY A 53 -0.325 -11.665 -6.406 1.00 0.00 C ATOM 843 O GLY A 53 -0.853 -12.341 -7.289 1.00 0.00 O ATOM 0 H GLY A 53 2.770 -11.703 -5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.771 -9.858 -6.767 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.380 -11.251 -7.638 1.00 0.00 H new ATOM 847 N ARG A 54 -0.851 -11.538 -5.184 1.00 0.00 N ATOM 848 CA ARG A 54 -2.096 -12.203 -4.820 1.00 0.00 C ATOM 849 C ARG A 54 -3.235 -11.192 -4.713 1.00 0.00 C ATOM 850 O ARG A 54 -3.045 -10.005 -4.975 1.00 0.00 O ATOM 851 CB ARG A 54 -1.932 -12.951 -3.496 1.00 0.00 C ATOM 852 CG ARG A 54 -0.667 -13.792 -3.424 1.00 0.00 C ATOM 853 CD ARG A 54 -0.983 -15.263 -3.200 1.00 0.00 C ATOM 854 NE ARG A 54 -1.830 -15.808 -4.258 1.00 0.00 N ATOM 855 CZ ARG A 54 -1.374 -16.181 -5.453 1.00 0.00 C ATOM 856 NH1 ARG A 54 -0.083 -16.071 -5.743 1.00 0.00 N ATOM 857 NH2 ARG A 54 -2.210 -16.668 -6.361 1.00 0.00 N ATOM 0 H ARG A 54 -0.433 -10.983 -4.437 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.342 -12.921 -5.603 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.925 -12.229 -2.679 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.797 -13.597 -3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.101 -13.678 -4.348 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.033 -13.428 -2.615 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.053 -15.830 -3.151 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.481 -15.384 -2.238 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.828 -15.909 -4.071 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.566 -15.699 -5.049 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.260 -16.358 -6.660 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.203 -16.757 -6.144 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.860 -16.953 -7.276 1.00 0.00 H new ATOM 871 N THR A 55 -4.418 -11.661 -4.319 1.00 0.00 N ATOM 872 CA THR A 55 -5.572 -10.784 -4.175 1.00 0.00 C ATOM 873 C THR A 55 -5.773 -10.402 -2.712 1.00 0.00 C ATOM 874 O THR A 55 -5.706 -11.255 -1.828 1.00 0.00 O ATOM 875 CB THR A 55 -6.831 -11.463 -4.716 1.00 0.00 C ATOM 876 OG1 THR A 55 -6.607 -11.968 -6.020 1.00 0.00 O ATOM 877 CG2 THR A 55 -8.028 -10.539 -4.781 1.00 0.00 C ATOM 0 H THR A 55 -4.599 -12.640 -4.095 1.00 0.00 H new ATOM 0 HA THR A 55 -5.387 -9.878 -4.752 1.00 0.00 H new ATOM 0 HB THR A 55 -7.050 -12.267 -4.013 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.423 -12.400 -6.348 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.887 -11.083 -5.173 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.258 -10.170 -3.781 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.802 -9.697 -5.435 1.00 0.00 H new ATOM 885 N LEU A 56 -6.021 -9.118 -2.456 1.00 0.00 N ATOM 886 CA LEU A 56 -6.231 -8.646 -1.087 1.00 0.00 C ATOM 887 C LEU A 56 -7.292 -9.491 -0.381 1.00 0.00 C ATOM 888 O LEU A 56 -7.163 -9.795 0.805 1.00 0.00 O ATOM 889 CB LEU A 56 -6.642 -7.169 -1.076 1.00 0.00 C ATOM 890 CG LEU A 56 -7.757 -6.790 -2.059 1.00 0.00 C ATOM 891 CD1 LEU A 56 -9.048 -6.490 -1.311 1.00 0.00 C ATOM 892 CD2 LEU A 56 -7.341 -5.596 -2.907 1.00 0.00 C ATOM 0 H LEU A 56 -6.081 -8.392 -3.170 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.288 -8.748 -0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.964 -6.906 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.764 -6.563 -1.298 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.932 -7.637 -2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.828 -6.223 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.356 -7.372 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.886 -5.660 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.145 -5.343 -3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.137 -4.743 -2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.443 -5.846 -3.472 1.00 0.00 H new ATOM 904 N SER A 57 -8.335 -9.876 -1.115 1.00 0.00 N ATOM 905 CA SER A 57 -9.405 -10.694 -0.548 1.00 0.00 C ATOM 906 C SER A 57 -8.856 -11.991 0.053 1.00 0.00 C ATOM 907 O SER A 57 -9.442 -12.541 0.986 1.00 0.00 O ATOM 908 CB SER A 57 -10.457 -11.020 -1.613 1.00 0.00 C ATOM 909 OG SER A 57 -11.297 -12.082 -1.192 1.00 0.00 O ATOM 0 H SER A 57 -8.461 -9.636 -2.098 1.00 0.00 H new ATOM 0 HA SER A 57 -9.872 -10.116 0.250 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.059 -10.135 -1.817 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.963 -11.291 -2.546 1.00 0.00 H new ATOM 0 HG SER A 57 -11.961 -12.270 -1.888 1.00 0.00 H new ATOM 915 N ASP A 58 -7.734 -12.482 -0.481 1.00 0.00 N ATOM 916 CA ASP A 58 -7.131 -13.717 0.019 1.00 0.00 C ATOM 917 C ASP A 58 -6.894 -13.656 1.530 1.00 0.00 C ATOM 918 O ASP A 58 -7.018 -14.666 2.222 1.00 0.00 O ATOM 919 CB ASP A 58 -5.809 -14.001 -0.699 1.00 0.00 C ATOM 920 CG ASP A 58 -5.990 -14.188 -2.193 1.00 0.00 C ATOM 921 OD1 ASP A 58 -7.024 -14.759 -2.598 1.00 0.00 O ATOM 922 OD2 ASP A 58 -5.097 -13.765 -2.958 1.00 0.00 O ATOM 0 H ASP A 58 -7.230 -12.046 -1.253 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.833 -14.526 -0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.118 -13.178 -0.520 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.354 -14.897 -0.276 1.00 0.00 H new ATOM 927 N TYR A 59 -6.550 -12.472 2.043 1.00 0.00 N ATOM 928 CA TYR A 59 -6.299 -12.310 3.474 1.00 0.00 C ATOM 929 C TYR A 59 -7.501 -11.695 4.199 1.00 0.00 C ATOM 930 O TYR A 59 -7.363 -11.189 5.313 1.00 0.00 O ATOM 931 CB TYR A 59 -5.059 -11.442 3.696 1.00 0.00 C ATOM 932 CG TYR A 59 -3.758 -12.158 3.410 1.00 0.00 C ATOM 933 CD1 TYR A 59 -3.241 -12.212 2.122 1.00 0.00 C ATOM 934 CD2 TYR A 59 -3.047 -12.781 4.430 1.00 0.00 C ATOM 935 CE1 TYR A 59 -2.053 -12.866 1.857 1.00 0.00 C ATOM 936 CE2 TYR A 59 -1.858 -13.437 4.172 1.00 0.00 C ATOM 937 CZ TYR A 59 -1.365 -13.476 2.885 1.00 0.00 C ATOM 938 OH TYR A 59 -0.182 -14.129 2.624 1.00 0.00 O ATOM 0 H TYR A 59 -6.440 -11.620 1.493 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.131 -13.303 3.891 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.125 -10.559 3.060 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.052 -11.091 4.728 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.776 -11.735 1.314 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.430 -12.752 5.439 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.665 -12.899 0.850 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.318 -13.917 4.975 1.00 0.00 H new ATOM 0 HH TYR A 59 0.176 -14.503 3.456 1.00 0.00 H new ATOM 948 N ASN A 60 -8.680 -11.743 3.574 1.00 0.00 N ATOM 949 CA ASN A 60 -9.893 -11.192 4.177 1.00 0.00 C ATOM 950 C ASN A 60 -9.816 -9.671 4.355 1.00 0.00 C ATOM 951 O ASN A 60 -10.613 -9.095 5.097 1.00 0.00 O ATOM 952 CB ASN A 60 -10.155 -11.857 5.531 1.00 0.00 C ATOM 953 CG ASN A 60 -11.636 -11.956 5.851 1.00 0.00 C ATOM 954 OD1 ASN A 60 -12.474 -11.411 5.133 1.00 0.00 O ATOM 955 ND2 ASN A 60 -11.971 -12.653 6.936 1.00 0.00 N ATOM 0 H ASN A 60 -8.819 -12.157 2.652 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.716 -11.402 3.494 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.718 -12.856 5.533 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.654 -11.289 6.315 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.952 -12.750 7.197 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.246 -13.090 7.505 1.00 0.00 H new ATOM 962 N ILE A 61 -8.873 -9.016 3.675 1.00 0.00 N ATOM 963 CA ILE A 61 -8.737 -7.566 3.778 1.00 0.00 C ATOM 964 C ILE A 61 -9.591 -6.864 2.722 1.00 0.00 C ATOM 965 O ILE A 61 -9.069 -6.305 1.756 1.00 0.00 O ATOM 966 CB ILE A 61 -7.264 -7.121 3.638 1.00 0.00 C ATOM 967 CG1 ILE A 61 -7.140 -5.607 3.834 1.00 0.00 C ATOM 968 CG2 ILE A 61 -6.701 -7.539 2.287 1.00 0.00 C ATOM 969 CD1 ILE A 61 -6.471 -5.222 5.135 1.00 0.00 C ATOM 0 H ILE A 61 -8.199 -9.463 3.053 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.088 -7.280 4.769 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.681 -7.615 4.415 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.573 -5.186 3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.134 -5.161 3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.663 -7.216 2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.751 -8.624 2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.285 -7.077 1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.416 -4.136 5.208 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.050 -5.614 5.972 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.464 -5.639 5.164 1.00 0.00 H new ATOM 981 N GLN A 62 -10.911 -6.902 2.904 1.00 0.00 N ATOM 982 CA GLN A 62 -11.829 -6.277 1.955 1.00 0.00 C ATOM 983 C GLN A 62 -12.206 -4.860 2.392 1.00 0.00 C ATOM 984 O GLN A 62 -11.716 -4.362 3.405 1.00 0.00 O ATOM 985 CB GLN A 62 -13.089 -7.133 1.796 1.00 0.00 C ATOM 986 CG GLN A 62 -13.968 -7.165 3.037 1.00 0.00 C ATOM 987 CD GLN A 62 -15.260 -7.930 2.815 1.00 0.00 C ATOM 988 OE1 GLN A 62 -15.323 -8.831 1.978 1.00 0.00 O ATOM 989 NE2 GLN A 62 -16.303 -7.577 3.564 1.00 0.00 N ATOM 0 H GLN A 62 -11.366 -7.357 3.696 1.00 0.00 H new ATOM 0 HA GLN A 62 -11.320 -6.207 0.994 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -13.673 -6.752 0.958 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -12.796 -8.152 1.543 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.415 -7.622 3.858 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.201 -6.144 3.339 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -16.209 -6.825 4.247 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -17.195 -8.059 3.455 1.00 0.00 H new ATOM 998 N LYS A 63 -13.075 -4.212 1.614 1.00 0.00 N ATOM 999 CA LYS A 63 -13.513 -2.848 1.914 1.00 0.00 C ATOM 1000 C LYS A 63 -13.914 -2.696 3.382 1.00 0.00 C ATOM 1001 O LYS A 63 -14.444 -3.626 3.991 1.00 0.00 O ATOM 1002 CB LYS A 63 -14.688 -2.450 1.013 1.00 0.00 C ATOM 1003 CG LYS A 63 -15.851 -3.428 1.059 1.00 0.00 C ATOM 1004 CD LYS A 63 -17.076 -2.870 0.353 1.00 0.00 C ATOM 1005 CE LYS A 63 -16.953 -2.994 -1.157 1.00 0.00 C ATOM 1006 NZ LYS A 63 -18.282 -3.126 -1.815 1.00 0.00 N ATOM 0 H LYS A 63 -13.489 -4.610 0.771 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.669 -2.185 1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -15.043 -1.463 1.309 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.335 -2.367 -0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.557 -4.367 0.591 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.098 -3.652 2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.966 -3.401 0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.208 -1.822 0.624 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.438 -2.118 -1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.340 -3.861 -1.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.153 -3.208 -2.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.764 -3.976 -1.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.859 -2.287 -1.604 1.00 0.00 H new ATOM 1020 N GLU A 64 -13.656 -1.512 3.940 1.00 0.00 N ATOM 1021 CA GLU A 64 -13.986 -1.223 5.335 1.00 0.00 C ATOM 1022 C GLU A 64 -13.170 -2.076 6.317 1.00 0.00 C ATOM 1023 O GLU A 64 -13.482 -2.115 7.507 1.00 0.00 O ATOM 1024 CB GLU A 64 -15.482 -1.443 5.578 1.00 0.00 C ATOM 1025 CG GLU A 64 -16.168 -0.267 6.255 1.00 0.00 C ATOM 1026 CD GLU A 64 -15.874 -0.198 7.740 1.00 0.00 C ATOM 1027 OE1 GLU A 64 -16.490 -0.971 8.504 1.00 0.00 O ATOM 1028 OE2 GLU A 64 -15.027 0.629 8.139 1.00 0.00 O ATOM 0 H GLU A 64 -13.218 -0.736 3.444 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.730 -0.179 5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.972 -1.638 4.624 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.615 -2.333 6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.845 0.660 5.781 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -17.245 -0.343 6.105 1.00 0.00 H new ATOM 1035 N SER A 65 -12.123 -2.749 5.832 1.00 0.00 N ATOM 1036 CA SER A 65 -11.288 -3.573 6.700 1.00 0.00 C ATOM 1037 C SER A 65 -10.354 -2.704 7.537 1.00 0.00 C ATOM 1038 O SER A 65 -10.365 -1.479 7.421 1.00 0.00 O ATOM 1039 CB SER A 65 -10.472 -4.575 5.878 1.00 0.00 C ATOM 1040 OG SER A 65 -9.612 -5.335 6.710 1.00 0.00 O ATOM 0 H SER A 65 -11.838 -2.738 4.853 1.00 0.00 H new ATOM 0 HA SER A 65 -11.947 -4.125 7.370 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.145 -5.242 5.339 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.884 -4.043 5.130 1.00 0.00 H new ATOM 0 HG SER A 65 -9.835 -6.286 6.629 1.00 0.00 H new ATOM 1046 N THR A 66 -9.537 -3.343 8.371 1.00 0.00 N ATOM 1047 CA THR A 66 -8.589 -2.623 9.212 1.00 0.00 C ATOM 1048 C THR A 66 -7.166 -2.812 8.690 1.00 0.00 C ATOM 1049 O THR A 66 -6.416 -3.644 9.200 1.00 0.00 O ATOM 1050 CB THR A 66 -8.685 -3.106 10.660 1.00 0.00 C ATOM 1051 OG1 THR A 66 -9.014 -4.484 10.709 1.00 0.00 O ATOM 1052 CG2 THR A 66 -9.720 -2.358 11.473 1.00 0.00 C ATOM 0 H THR A 66 -9.514 -4.357 8.481 1.00 0.00 H new ATOM 0 HA THR A 66 -8.837 -1.562 9.180 1.00 0.00 H new ATOM 0 HB THR A 66 -7.702 -2.919 11.092 1.00 0.00 H new ATOM 0 HG1 THR A 66 -9.069 -4.774 11.643 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.737 -2.750 12.490 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.467 -1.298 11.497 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.702 -2.487 11.018 1.00 0.00 H new ATOM 1060 N LEU A 67 -6.802 -2.043 7.663 1.00 0.00 N ATOM 1061 CA LEU A 67 -5.472 -2.145 7.073 1.00 0.00 C ATOM 1062 C LEU A 67 -4.545 -1.052 7.601 1.00 0.00 C ATOM 1063 O LEU A 67 -4.810 0.137 7.427 1.00 0.00 O ATOM 1064 CB LEU A 67 -5.560 -2.060 5.546 1.00 0.00 C ATOM 1065 CG LEU A 67 -5.916 -0.679 4.991 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -4.655 0.109 4.674 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -6.790 -0.811 3.752 1.00 0.00 C ATOM 0 H LEU A 67 -7.407 -1.348 7.227 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.056 -3.112 7.356 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.603 -2.368 5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.305 -2.776 5.200 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.478 -0.137 5.751 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.927 1.088 4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.066 0.234 5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.066 -0.430 3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.033 0.181 3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.254 -1.372 2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.710 -1.336 4.010 1.00 0.00 H new ATOM 1079 N HIS A 68 -3.451 -1.462 8.242 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.484 -0.515 8.785 1.00 0.00 C ATOM 1081 C HIS A 68 -1.208 -0.508 7.944 1.00 0.00 C ATOM 1082 O HIS A 68 -0.713 -1.562 7.547 1.00 0.00 O ATOM 1083 CB HIS A 68 -2.152 -0.867 10.236 1.00 0.00 C ATOM 1084 CG HIS A 68 -3.142 -0.332 11.222 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -2.805 0.024 12.511 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -4.471 -0.095 11.104 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -3.882 0.457 13.143 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -4.905 0.396 12.312 1.00 0.00 N ATOM 0 H HIS A 68 -3.214 -2.442 8.397 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.927 0.481 8.755 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.101 -1.951 10.336 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.163 -0.478 10.479 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.076 -0.261 10.225 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.918 0.802 14.166 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.863 0.669 12.531 1.00 0.00 H new ATOM 1097 N LEU A 69 -0.677 0.684 7.674 1.00 0.00 N ATOM 1098 CA LEU A 69 0.541 0.811 6.880 1.00 0.00 C ATOM 1099 C LEU A 69 1.773 0.876 7.781 1.00 0.00 C ATOM 1100 O LEU A 69 1.653 0.977 9.002 1.00 0.00 O ATOM 1101 CB LEU A 69 0.471 2.056 5.992 1.00 0.00 C ATOM 1102 CG LEU A 69 0.864 1.833 4.531 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -0.171 0.970 3.825 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.030 3.164 3.814 1.00 0.00 C ATOM 0 H LEU A 69 -1.070 1.570 7.992 1.00 0.00 H new ATOM 0 HA LEU A 69 0.626 -0.071 6.245 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.545 2.449 6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.122 2.822 6.414 1.00 0.00 H new ATOM 0 HG LEU A 69 1.820 1.309 4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.126 0.822 2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.240 0.003 4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.141 1.465 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.310 2.986 2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.090 3.715 3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.809 3.747 4.305 1.00 0.00 H new ATOM 1116 N VAL A 70 2.959 0.816 7.175 1.00 0.00 N ATOM 1117 CA VAL A 70 4.203 0.868 7.931 1.00 0.00 C ATOM 1118 C VAL A 70 4.862 2.240 7.814 1.00 0.00 C ATOM 1119 O VAL A 70 5.038 2.760 6.713 1.00 0.00 O ATOM 1120 CB VAL A 70 5.196 -0.209 7.453 1.00 0.00 C ATOM 1121 CG1 VAL A 70 6.424 -0.244 8.351 1.00 0.00 C ATOM 1122 CG2 VAL A 70 4.525 -1.574 7.405 1.00 0.00 C ATOM 0 H VAL A 70 3.081 0.732 6.166 1.00 0.00 H new ATOM 0 HA VAL A 70 3.947 0.679 8.974 1.00 0.00 H new ATOM 0 HB VAL A 70 5.519 0.048 6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.112 -1.011 7.996 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.919 0.727 8.328 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.121 -0.473 9.373 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.243 -2.321 7.065 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.169 -1.840 8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.682 -1.541 6.715 1.00 0.00 H new ATOM 1132 N LEU A 71 5.224 2.824 8.956 1.00 0.00 N ATOM 1133 CA LEU A 71 5.863 4.138 8.971 1.00 0.00 C ATOM 1134 C LEU A 71 7.333 4.033 8.568 1.00 0.00 C ATOM 1135 O LEU A 71 8.192 3.730 9.397 1.00 0.00 O ATOM 1136 CB LEU A 71 5.745 4.781 10.356 1.00 0.00 C ATOM 1137 CG LEU A 71 6.353 3.970 11.505 1.00 0.00 C ATOM 1138 CD1 LEU A 71 7.678 4.574 11.952 1.00 0.00 C ATOM 1139 CD2 LEU A 71 5.381 3.888 12.674 1.00 0.00 C ATOM 0 H LEU A 71 5.086 2.410 9.878 1.00 0.00 H new ATOM 0 HA LEU A 71 5.348 4.768 8.246 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.227 5.758 10.328 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.690 4.952 10.571 1.00 0.00 H new ATOM 0 HG LEU A 71 6.545 2.959 11.144 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.091 3.982 12.768 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.377 4.577 11.116 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.515 5.597 12.292 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.830 3.308 13.481 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.156 4.893 13.031 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.460 3.404 12.348 1.00 0.00 H new