USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 598 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 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -58:sc= -0.0899 USER MOD Single : A 17 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0173) USER MOD Single : A 21 ASN : amide:sc= -3.87! K(o=-3.9!,f=-1.8) USER MOD Single : A 22 ASN : amide:sc= -4.96! C(o=-5!,f=-8.1!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -162:sc= 0 (180deg=-0.264) USER MOD Single : A 37 SER OG : rot -48:sc= 0.216 USER MOD Single : A 38 LYS NZ :NH3+ -172:sc= 0.974 (180deg=0.941) USER MOD Single : A 41 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0885) USER MOD Single : A 42 SER OG : rot 180:sc= -0.0242 USER MOD Single : A 44 SER OG : rot -89:sc= 0.65 USER MOD Single : A 48 GLN : amide:sc= -0.723 K(o=-0.72,f=0) USER MOD Single : A 53 THR OG1 : rot 169:sc= 0.772 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.00265 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0133 USER MOD Single : A 60 SER OG : rot 87:sc= 1.29 USER MOD Single : A 67 SER OG : rot 180:sc= -1.32! USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -163:sc= -0.193 (180deg=-1.21!) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 26 N VAL A 3 1.461 13.406 -0.779 1.00 0.00 N ATOM 27 CA VAL A 3 0.741 12.573 0.224 1.00 0.00 C ATOM 28 C VAL A 3 0.401 11.193 -0.353 1.00 0.00 C ATOM 29 O VAL A 3 -0.033 10.317 0.373 1.00 0.00 O ATOM 30 CB VAL A 3 -0.574 13.300 0.624 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.345 14.812 0.605 1.00 0.00 C ATOM 32 CG2 VAL A 3 -1.727 12.962 -0.339 1.00 0.00 C ATOM 0 HA VAL A 3 1.382 12.433 1.094 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.849 12.963 1.623 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.266 15.323 0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.443 15.070 1.313 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.048 15.122 -0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.629 13.489 -0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.459 13.270 -1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.911 11.888 -0.324 1.00 0.00 H new ATOM 42 N TYR A 4 0.530 10.980 -1.646 1.00 0.00 N ATOM 43 CA TYR A 4 0.124 9.646 -2.192 1.00 0.00 C ATOM 44 C TYR A 4 1.189 8.586 -1.865 1.00 0.00 C ATOM 45 O TYR A 4 0.886 7.529 -1.349 1.00 0.00 O ATOM 46 CB TYR A 4 -0.144 9.753 -3.698 1.00 0.00 C ATOM 47 CG TYR A 4 -1.588 10.126 -3.959 1.00 0.00 C ATOM 48 CD1 TYR A 4 -2.603 9.200 -3.700 1.00 0.00 C ATOM 49 CD2 TYR A 4 -1.907 11.384 -4.487 1.00 0.00 C ATOM 50 CE1 TYR A 4 -3.934 9.528 -3.965 1.00 0.00 C ATOM 51 CE2 TYR A 4 -3.242 11.715 -4.748 1.00 0.00 C ATOM 52 CZ TYR A 4 -4.256 10.786 -4.488 1.00 0.00 C ATOM 53 OH TYR A 4 -5.572 11.109 -4.750 1.00 0.00 O ATOM 0 H TYR A 4 0.888 11.651 -2.326 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.803 9.327 -1.716 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.515 10.501 -4.138 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.085 8.803 -4.182 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.357 8.230 -3.294 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.123 12.098 -4.693 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.716 8.810 -3.766 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -3.489 12.687 -5.150 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.620 12.020 -5.108 1.00 0.00 H new ATOM 63 N CYS A 5 2.432 8.867 -2.152 1.00 0.00 N ATOM 64 CA CYS A 5 3.509 7.879 -1.846 1.00 0.00 C ATOM 65 C CYS A 5 3.437 7.534 -0.351 1.00 0.00 C ATOM 66 O CYS A 5 3.556 6.387 0.033 1.00 0.00 O ATOM 67 CB CYS A 5 4.883 8.483 -2.155 1.00 0.00 C ATOM 68 SG CYS A 5 5.174 8.430 -3.928 1.00 0.00 S ATOM 0 H CYS A 5 2.748 9.735 -2.584 1.00 0.00 H new ATOM 0 HA CYS A 5 3.371 6.986 -2.455 1.00 0.00 H new ATOM 0 HB2 CYS A 5 4.929 9.512 -1.799 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.662 7.929 -1.631 1.00 0.00 H new ATOM 73 N GLU A 6 3.263 8.511 0.496 1.00 0.00 N ATOM 74 CA GLU A 6 3.209 8.228 1.959 1.00 0.00 C ATOM 75 C GLU A 6 2.129 7.189 2.263 1.00 0.00 C ATOM 76 O GLU A 6 2.326 6.303 3.072 1.00 0.00 O ATOM 77 CB GLU A 6 2.900 9.527 2.709 1.00 0.00 C ATOM 78 CG GLU A 6 2.701 9.230 4.196 1.00 0.00 C ATOM 79 CD GLU A 6 2.764 10.536 4.992 1.00 0.00 C ATOM 80 OE1 GLU A 6 3.854 10.910 5.394 1.00 0.00 O ATOM 81 OE2 GLU A 6 1.722 11.141 5.185 1.00 0.00 O ATOM 0 H GLU A 6 3.156 9.492 0.239 1.00 0.00 H new ATOM 0 HA GLU A 6 4.172 7.832 2.282 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.716 10.237 2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.003 9.991 2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.740 8.742 4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.470 8.541 4.546 1.00 0.00 H new ATOM 88 N VAL A 7 0.984 7.296 1.654 1.00 0.00 N ATOM 89 CA VAL A 7 -0.097 6.316 1.955 1.00 0.00 C ATOM 90 C VAL A 7 0.206 4.938 1.346 1.00 0.00 C ATOM 91 O VAL A 7 -0.069 3.920 1.948 1.00 0.00 O ATOM 92 CB VAL A 7 -1.442 6.856 1.451 1.00 0.00 C ATOM 93 CG1 VAL A 7 -2.521 5.781 1.636 1.00 0.00 C ATOM 94 CG2 VAL A 7 -1.825 8.147 2.234 1.00 0.00 C ATOM 0 H VAL A 7 0.749 8.012 0.967 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.151 6.184 3.036 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.361 7.105 0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.478 6.161 1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.249 4.891 1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.603 5.526 2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.781 8.523 1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.906 7.917 3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.056 8.905 2.084 1.00 0.00 H new ATOM 104 N CYS A 8 0.769 4.884 0.160 1.00 0.00 N ATOM 105 CA CYS A 8 1.078 3.564 -0.467 1.00 0.00 C ATOM 106 C CYS A 8 2.068 2.802 0.400 1.00 0.00 C ATOM 107 O CYS A 8 2.018 1.592 0.490 1.00 0.00 O ATOM 108 CB CYS A 8 1.657 3.801 -1.866 1.00 0.00 C ATOM 109 SG CYS A 8 3.421 4.179 -1.802 1.00 0.00 S ATOM 0 H CYS A 8 1.026 5.698 -0.398 1.00 0.00 H new ATOM 0 HA CYS A 8 0.168 2.969 -0.552 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.496 2.916 -2.481 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.126 4.623 -2.346 1.00 0.00 H new ATOM 114 N GLU A 9 2.953 3.488 1.065 1.00 0.00 N ATOM 115 CA GLU A 9 3.912 2.778 1.943 1.00 0.00 C ATOM 116 C GLU A 9 3.201 2.436 3.246 1.00 0.00 C ATOM 117 O GLU A 9 3.516 1.449 3.883 1.00 0.00 O ATOM 118 CB GLU A 9 5.103 3.690 2.255 1.00 0.00 C ATOM 119 CG GLU A 9 5.918 3.932 0.986 1.00 0.00 C ATOM 120 CD GLU A 9 7.092 4.860 1.303 1.00 0.00 C ATOM 121 OE1 GLU A 9 7.721 4.660 2.328 1.00 0.00 O ATOM 122 OE2 GLU A 9 7.343 5.757 0.513 1.00 0.00 O ATOM 0 H GLU A 9 3.051 4.503 1.037 1.00 0.00 H new ATOM 0 HA GLU A 9 4.270 1.875 1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.750 4.639 2.657 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.731 3.234 3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.286 2.985 0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.288 4.376 0.215 1.00 0.00 H new ATOM 129 N PHE A 10 2.232 3.214 3.655 1.00 0.00 N ATOM 130 CA PHE A 10 1.523 2.869 4.914 1.00 0.00 C ATOM 131 C PHE A 10 0.679 1.601 4.695 1.00 0.00 C ATOM 132 O PHE A 10 0.725 0.683 5.489 1.00 0.00 O ATOM 133 CB PHE A 10 0.625 4.027 5.350 1.00 0.00 C ATOM 134 CG PHE A 10 -0.055 3.641 6.637 1.00 0.00 C ATOM 135 CD1 PHE A 10 0.588 3.861 7.859 1.00 0.00 C ATOM 136 CD2 PHE A 10 -1.313 3.037 6.603 1.00 0.00 C ATOM 137 CE1 PHE A 10 -0.029 3.474 9.054 1.00 0.00 C ATOM 138 CE2 PHE A 10 -1.936 2.654 7.798 1.00 0.00 C ATOM 139 CZ PHE A 10 -1.293 2.871 9.023 1.00 0.00 C ATOM 0 H PHE A 10 1.909 4.057 3.180 1.00 0.00 H new ATOM 0 HA PHE A 10 2.257 2.684 5.699 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.215 4.933 5.489 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.115 4.244 4.580 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.561 4.330 7.881 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.805 2.865 5.657 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.468 3.640 9.998 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.912 2.192 7.774 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.772 2.573 9.944 1.00 0.00 H new ATOM 149 N LEU A 11 -0.078 1.522 3.624 1.00 0.00 N ATOM 150 CA LEU A 11 -0.887 0.283 3.390 1.00 0.00 C ATOM 151 C LEU A 11 0.067 -0.900 3.219 1.00 0.00 C ATOM 152 O LEU A 11 -0.150 -1.958 3.776 1.00 0.00 O ATOM 153 CB LEU A 11 -1.755 0.401 2.121 1.00 0.00 C ATOM 154 CG LEU A 11 -2.662 1.642 2.189 1.00 0.00 C ATOM 155 CD1 LEU A 11 -3.177 1.980 0.785 1.00 0.00 C ATOM 156 CD2 LEU A 11 -3.862 1.371 3.100 1.00 0.00 C ATOM 0 H LEU A 11 -0.170 2.248 2.914 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.547 0.140 4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.114 0.462 1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.366 -0.495 2.009 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.083 2.475 2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.819 2.859 0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.332 2.185 0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.746 1.137 0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.496 2.257 3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.435 0.532 2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.510 1.131 4.103 1.00 0.00 H new ATOM 168 N VAL A 12 1.120 -0.750 2.455 1.00 0.00 N ATOM 169 CA VAL A 12 2.061 -1.885 2.264 1.00 0.00 C ATOM 170 C VAL A 12 2.632 -2.315 3.627 1.00 0.00 C ATOM 171 O VAL A 12 2.621 -3.480 3.965 1.00 0.00 O ATOM 172 CB VAL A 12 3.194 -1.423 1.329 1.00 0.00 C ATOM 173 CG1 VAL A 12 4.401 -2.359 1.433 1.00 0.00 C ATOM 174 CG2 VAL A 12 2.690 -1.421 -0.116 1.00 0.00 C ATOM 0 H VAL A 12 1.364 0.107 1.959 1.00 0.00 H new ATOM 0 HA VAL A 12 1.546 -2.738 1.822 1.00 0.00 H new ATOM 0 HB VAL A 12 3.499 -0.420 1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.189 -2.013 0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.771 -2.363 2.458 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.103 -3.369 1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.490 -1.094 -0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.377 -2.427 -0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.844 -0.740 -0.205 1.00 0.00 H new ATOM 184 N LYS A 13 3.119 -1.387 4.416 1.00 0.00 N ATOM 185 CA LYS A 13 3.679 -1.765 5.752 1.00 0.00 C ATOM 186 C LYS A 13 2.585 -2.458 6.564 1.00 0.00 C ATOM 187 O LYS A 13 2.815 -3.453 7.222 1.00 0.00 O ATOM 188 CB LYS A 13 4.168 -0.502 6.484 1.00 0.00 C ATOM 189 CG LYS A 13 4.405 -0.800 7.988 1.00 0.00 C ATOM 190 CD LYS A 13 5.622 -0.018 8.503 1.00 0.00 C ATOM 191 CE LYS A 13 5.350 1.483 8.404 1.00 0.00 C ATOM 192 NZ LYS A 13 6.529 2.237 8.916 1.00 0.00 N ATOM 0 H LYS A 13 3.153 -0.392 4.195 1.00 0.00 H new ATOM 0 HA LYS A 13 4.524 -2.443 5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.092 -0.146 6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.432 0.295 6.377 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.520 -0.528 8.563 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.563 -1.869 8.133 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.831 -0.292 9.537 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.506 -0.276 7.920 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.150 1.760 7.369 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.462 1.741 8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.344 3.258 8.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.700 1.981 9.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.367 1.999 8.348 1.00 0.00 H new ATOM 206 N GLU A 14 1.405 -1.917 6.541 1.00 0.00 N ATOM 207 CA GLU A 14 0.291 -2.509 7.330 1.00 0.00 C ATOM 208 C GLU A 14 -0.110 -3.848 6.715 1.00 0.00 C ATOM 209 O GLU A 14 -0.356 -4.801 7.423 1.00 0.00 O ATOM 210 CB GLU A 14 -0.895 -1.527 7.321 1.00 0.00 C ATOM 211 CG GLU A 14 -1.670 -1.618 8.634 1.00 0.00 C ATOM 212 CD GLU A 14 -2.874 -0.678 8.583 1.00 0.00 C ATOM 213 OE1 GLU A 14 -3.128 -0.135 7.521 1.00 0.00 O ATOM 214 OE2 GLU A 14 -3.519 -0.515 9.605 1.00 0.00 O ATOM 0 H GLU A 14 1.160 -1.084 6.006 1.00 0.00 H new ATOM 0 HA GLU A 14 0.603 -2.683 8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.532 -0.510 7.175 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.556 -1.753 6.484 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.002 -2.642 8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.023 -1.352 9.470 1.00 0.00 H new ATOM 221 N VAL A 15 -0.176 -3.950 5.424 1.00 0.00 N ATOM 222 CA VAL A 15 -0.568 -5.254 4.830 1.00 0.00 C ATOM 223 C VAL A 15 0.494 -6.311 5.153 1.00 0.00 C ATOM 224 O VAL A 15 0.169 -7.434 5.465 1.00 0.00 O ATOM 225 CB VAL A 15 -0.739 -5.105 3.303 1.00 0.00 C ATOM 226 CG1 VAL A 15 -0.615 -6.472 2.610 1.00 0.00 C ATOM 227 CG2 VAL A 15 -2.122 -4.518 2.999 1.00 0.00 C ATOM 0 H VAL A 15 0.021 -3.201 4.760 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.519 -5.574 5.256 1.00 0.00 H new ATOM 0 HB VAL A 15 0.042 -4.443 2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.738 -6.347 1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.368 -6.896 2.816 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.386 -7.143 2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.244 -4.412 1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.893 -5.183 3.388 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.214 -3.540 3.472 1.00 0.00 H new ATOM 237 N THR A 16 1.757 -5.998 5.053 1.00 0.00 N ATOM 238 CA THR A 16 2.756 -7.065 5.326 1.00 0.00 C ATOM 239 C THR A 16 2.638 -7.550 6.762 1.00 0.00 C ATOM 240 O THR A 16 2.711 -8.734 7.029 1.00 0.00 O ATOM 241 CB THR A 16 4.197 -6.620 5.081 1.00 0.00 C ATOM 242 OG1 THR A 16 4.692 -5.972 6.244 1.00 0.00 O ATOM 243 CG2 THR A 16 4.312 -5.670 3.877 1.00 0.00 C ATOM 0 H THR A 16 2.130 -5.082 4.803 1.00 0.00 H new ATOM 0 HA THR A 16 2.530 -7.869 4.626 1.00 0.00 H new ATOM 0 HB THR A 16 4.787 -7.509 4.858 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.122 -5.204 6.458 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.354 -5.380 3.741 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.956 -6.175 2.979 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.708 -4.780 4.056 1.00 0.00 H new ATOM 251 N LYS A 17 2.441 -6.666 7.696 1.00 0.00 N ATOM 252 CA LYS A 17 2.308 -7.131 9.096 1.00 0.00 C ATOM 253 C LYS A 17 1.132 -8.099 9.142 1.00 0.00 C ATOM 254 O LYS A 17 1.125 -9.069 9.874 1.00 0.00 O ATOM 255 CB LYS A 17 2.035 -5.943 10.033 1.00 0.00 C ATOM 256 CG LYS A 17 1.999 -6.441 11.499 1.00 0.00 C ATOM 257 CD LYS A 17 1.023 -5.616 12.344 1.00 0.00 C ATOM 258 CE LYS A 17 0.890 -6.263 13.731 1.00 0.00 C ATOM 259 NZ LYS A 17 2.109 -5.964 14.535 1.00 0.00 N ATOM 0 H LYS A 17 2.368 -5.659 7.553 1.00 0.00 H new ATOM 0 HA LYS A 17 3.228 -7.614 9.423 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.810 -5.186 9.914 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.087 -5.472 9.774 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.705 -7.490 11.522 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.998 -6.380 11.931 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.382 -4.591 12.440 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.050 -5.569 11.856 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.004 -5.882 14.239 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.762 -7.341 13.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.979 -6.313 15.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.932 -6.433 14.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.268 -4.936 14.555 1.00 0.00 H new ATOM 273 N LEU A 18 0.140 -7.829 8.346 1.00 0.00 N ATOM 274 CA LEU A 18 -1.052 -8.707 8.302 1.00 0.00 C ATOM 275 C LEU A 18 -0.678 -10.001 7.574 1.00 0.00 C ATOM 276 O LEU A 18 -1.062 -11.083 7.973 1.00 0.00 O ATOM 277 CB LEU A 18 -2.188 -7.959 7.582 1.00 0.00 C ATOM 278 CG LEU A 18 -2.733 -6.724 8.395 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.261 -6.701 8.343 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.322 -6.726 9.884 1.00 0.00 C ATOM 0 H LEU A 18 0.106 -7.027 7.717 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.393 -8.964 9.305 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.830 -7.617 6.611 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.008 -8.652 7.394 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.291 -5.846 7.923 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.631 -5.845 8.907 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.589 -6.622 7.306 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.654 -7.620 8.779 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.735 -5.845 10.377 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.706 -7.625 10.366 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.235 -6.709 9.961 1.00 0.00 H new ATOM 292 N ILE A 19 0.105 -9.899 6.533 1.00 0.00 N ATOM 293 CA ILE A 19 0.548 -11.117 5.805 1.00 0.00 C ATOM 294 C ILE A 19 1.469 -11.878 6.747 1.00 0.00 C ATOM 295 O ILE A 19 1.542 -13.091 6.734 1.00 0.00 O ATOM 296 CB ILE A 19 1.316 -10.711 4.535 1.00 0.00 C ATOM 297 CG1 ILE A 19 0.341 -10.035 3.560 1.00 0.00 C ATOM 298 CG2 ILE A 19 1.928 -11.949 3.873 1.00 0.00 C ATOM 299 CD1 ILE A 19 1.098 -9.506 2.341 1.00 0.00 C ATOM 0 H ILE A 19 0.457 -9.019 6.156 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.302 -11.731 5.506 1.00 0.00 H new ATOM 0 HB ILE A 19 2.118 -10.021 4.799 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.421 -10.747 3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.176 -9.216 4.060 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.469 -11.651 2.975 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.615 -12.431 4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.135 -12.647 3.604 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.397 -9.029 1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.843 -8.778 2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.594 -10.333 1.834 1.00 0.00 H new ATOM 311 N ASP A 20 2.175 -11.153 7.569 1.00 0.00 N ATOM 312 CA ASP A 20 3.102 -11.790 8.531 1.00 0.00 C ATOM 313 C ASP A 20 2.319 -12.393 9.696 1.00 0.00 C ATOM 314 O ASP A 20 2.810 -13.277 10.370 1.00 0.00 O ATOM 315 CB ASP A 20 4.072 -10.736 9.069 1.00 0.00 C ATOM 316 CG ASP A 20 4.855 -10.120 7.908 1.00 0.00 C ATOM 317 OD1 ASP A 20 4.452 -10.322 6.774 1.00 0.00 O ATOM 318 OD2 ASP A 20 5.844 -9.456 8.173 1.00 0.00 O ATOM 0 H ASP A 20 2.145 -10.134 7.612 1.00 0.00 H new ATOM 0 HA ASP A 20 3.654 -12.582 8.024 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.523 -9.960 9.603 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.758 -11.190 9.784 1.00 0.00 H new ATOM 323 N ASN A 21 1.106 -11.937 9.956 1.00 0.00 N ATOM 324 CA ASN A 21 0.333 -12.520 11.104 1.00 0.00 C ATOM 325 C ASN A 21 -0.504 -13.717 10.614 1.00 0.00 C ATOM 326 O ASN A 21 -1.128 -14.388 11.403 1.00 0.00 O ATOM 327 CB ASN A 21 -0.550 -11.461 11.768 1.00 0.00 C ATOM 328 CG ASN A 21 -1.309 -12.089 12.938 1.00 0.00 C ATOM 329 OD1 ASN A 21 -0.914 -11.949 14.079 1.00 0.00 O ATOM 330 ND2 ASN A 21 -2.391 -12.780 12.704 1.00 0.00 N ATOM 0 H ASN A 21 0.630 -11.202 9.433 1.00 0.00 H new ATOM 0 HA ASN A 21 1.037 -12.872 11.858 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.062 -10.631 12.121 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.253 -11.052 11.043 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.904 -13.202 13.478 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.724 -12.898 11.747 1.00 0.00 H new ATOM 337 N ASN A 22 -0.452 -14.026 9.332 1.00 0.00 N ATOM 338 CA ASN A 22 -1.169 -15.240 8.778 1.00 0.00 C ATOM 339 C ASN A 22 -2.642 -14.978 8.411 1.00 0.00 C ATOM 340 O ASN A 22 -3.394 -15.914 8.218 1.00 0.00 O ATOM 341 CB ASN A 22 -1.069 -16.427 9.779 1.00 0.00 C ATOM 342 CG ASN A 22 -2.324 -16.556 10.667 1.00 0.00 C ATOM 343 OD1 ASN A 22 -3.043 -15.601 10.884 1.00 0.00 O ATOM 344 ND2 ASN A 22 -2.614 -17.716 11.190 1.00 0.00 N ATOM 0 H ASN A 22 0.061 -13.485 8.636 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.663 -15.492 7.846 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.923 -17.354 9.225 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.192 -16.292 10.412 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.441 -17.818 11.778 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.013 -18.521 11.011 1.00 0.00 H new ATOM 351 N LYS A 23 -3.084 -13.763 8.318 1.00 0.00 N ATOM 352 CA LYS A 23 -4.520 -13.557 7.969 1.00 0.00 C ATOM 353 C LYS A 23 -4.751 -13.943 6.497 1.00 0.00 C ATOM 354 O LYS A 23 -3.888 -13.785 5.657 1.00 0.00 O ATOM 355 CB LYS A 23 -4.909 -12.095 8.210 1.00 0.00 C ATOM 356 CG LYS A 23 -4.222 -11.555 9.503 1.00 0.00 C ATOM 357 CD LYS A 23 -5.213 -10.782 10.394 1.00 0.00 C ATOM 358 CE LYS A 23 -4.540 -10.455 11.729 1.00 0.00 C ATOM 359 NZ LYS A 23 -5.473 -9.653 12.570 1.00 0.00 N ATOM 0 H LYS A 23 -2.533 -12.917 8.463 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.144 -14.189 8.601 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.615 -11.488 7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.992 -12.011 8.304 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.800 -12.388 10.066 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.393 -10.902 9.229 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.528 -9.864 9.897 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.110 -11.377 10.562 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.266 -11.375 12.246 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.618 -9.899 11.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.017 -9.430 13.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.713 -8.770 12.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.341 -10.199 12.743 1.00 0.00 H new ATOM 373 N THR A 24 -5.920 -14.446 6.185 1.00 0.00 N ATOM 374 CA THR A 24 -6.234 -14.848 4.773 1.00 0.00 C ATOM 375 C THR A 24 -6.492 -13.610 3.904 1.00 0.00 C ATOM 376 O THR A 24 -6.626 -12.508 4.397 1.00 0.00 O ATOM 377 CB THR A 24 -7.491 -15.739 4.744 1.00 0.00 C ATOM 378 OG1 THR A 24 -8.636 -14.938 4.484 1.00 0.00 O ATOM 379 CG2 THR A 24 -7.674 -16.448 6.087 1.00 0.00 C ATOM 0 H THR A 24 -6.678 -14.597 6.851 1.00 0.00 H new ATOM 0 HA THR A 24 -5.378 -15.397 4.380 1.00 0.00 H new ATOM 0 HB THR A 24 -7.371 -16.485 3.959 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.435 -15.506 4.464 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.566 -17.073 6.050 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.803 -17.070 6.291 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.784 -15.706 6.878 1.00 0.00 H new ATOM 387 N GLU A 25 -6.576 -13.795 2.609 1.00 0.00 N ATOM 388 CA GLU A 25 -6.841 -12.640 1.700 1.00 0.00 C ATOM 389 C GLU A 25 -8.197 -12.033 2.072 1.00 0.00 C ATOM 390 O GLU A 25 -8.344 -10.832 2.185 1.00 0.00 O ATOM 391 CB GLU A 25 -6.861 -13.129 0.247 1.00 0.00 C ATOM 392 CG GLU A 25 -6.655 -11.944 -0.700 1.00 0.00 C ATOM 393 CD GLU A 25 -7.065 -12.344 -2.120 1.00 0.00 C ATOM 394 OE1 GLU A 25 -8.237 -12.613 -2.324 1.00 0.00 O ATOM 395 OE2 GLU A 25 -6.199 -12.377 -2.979 1.00 0.00 O ATOM 0 H GLU A 25 -6.472 -14.697 2.144 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.060 -11.886 1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.078 -13.871 0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.811 -13.618 0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.247 -11.092 -0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.611 -11.632 -0.686 1.00 0.00 H new ATOM 402 N LYS A 26 -9.189 -12.860 2.252 1.00 0.00 N ATOM 403 CA LYS A 26 -10.546 -12.353 2.604 1.00 0.00 C ATOM 404 C LYS A 26 -10.492 -11.472 3.854 1.00 0.00 C ATOM 405 O LYS A 26 -11.265 -10.547 3.998 1.00 0.00 O ATOM 406 CB LYS A 26 -11.492 -13.534 2.838 1.00 0.00 C ATOM 407 CG LYS A 26 -12.916 -13.015 3.100 1.00 0.00 C ATOM 408 CD LYS A 26 -13.946 -14.128 2.831 1.00 0.00 C ATOM 409 CE LYS A 26 -14.323 -14.160 1.345 1.00 0.00 C ATOM 410 NZ LYS A 26 -15.395 -15.172 1.130 1.00 0.00 N ATOM 0 H LYS A 26 -9.117 -13.874 2.170 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.916 -11.748 1.776 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.489 -14.192 1.969 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.148 -14.125 3.687 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.002 -12.672 4.131 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.122 -12.157 2.460 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.535 -15.092 3.129 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -14.838 -13.961 3.435 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.666 -13.176 1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.449 -14.405 0.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.653 -15.196 0.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.051 -16.109 1.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -16.230 -14.918 1.695 1.00 0.00 H new ATOM 424 N GLU A 27 -9.595 -11.737 4.757 1.00 0.00 N ATOM 425 CA GLU A 27 -9.518 -10.891 5.981 1.00 0.00 C ATOM 426 C GLU A 27 -8.851 -9.548 5.646 1.00 0.00 C ATOM 427 O GLU A 27 -9.186 -8.528 6.216 1.00 0.00 O ATOM 428 CB GLU A 27 -8.698 -11.599 7.059 1.00 0.00 C ATOM 429 CG GLU A 27 -9.489 -12.763 7.653 1.00 0.00 C ATOM 430 CD GLU A 27 -8.546 -13.680 8.434 1.00 0.00 C ATOM 431 OE1 GLU A 27 -7.427 -13.867 7.986 1.00 0.00 O ATOM 432 OE2 GLU A 27 -8.959 -14.180 9.468 1.00 0.00 O ATOM 0 H GLU A 27 -8.916 -12.496 4.704 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.529 -10.718 6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.765 -11.966 6.632 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.433 -10.893 7.846 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.272 -12.385 8.310 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.982 -13.323 6.859 1.00 0.00 H new ATOM 439 N ILE A 28 -7.904 -9.532 4.747 1.00 0.00 N ATOM 440 CA ILE A 28 -7.221 -8.244 4.411 1.00 0.00 C ATOM 441 C ILE A 28 -8.225 -7.315 3.734 1.00 0.00 C ATOM 442 O ILE A 28 -8.267 -6.132 4.007 1.00 0.00 O ATOM 443 CB ILE A 28 -6.021 -8.557 3.495 1.00 0.00 C ATOM 444 CG1 ILE A 28 -5.238 -9.756 4.121 1.00 0.00 C ATOM 445 CG2 ILE A 28 -5.141 -7.310 3.319 1.00 0.00 C ATOM 446 CD1 ILE A 28 -3.717 -9.559 4.138 1.00 0.00 C ATOM 0 H ILE A 28 -7.574 -10.348 4.232 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.851 -7.743 5.306 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.356 -8.838 2.497 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.586 -9.912 5.142 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.472 -10.662 3.562 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.298 -7.548 2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.730 -6.510 2.871 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.770 -6.987 4.291 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.242 -10.432 4.587 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.355 -9.433 3.118 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.472 -8.672 4.722 1.00 0.00 H new ATOM 458 N LEU A 29 -9.038 -7.831 2.862 1.00 0.00 N ATOM 459 CA LEU A 29 -10.041 -6.971 2.179 1.00 0.00 C ATOM 460 C LEU A 29 -11.124 -6.530 3.174 1.00 0.00 C ATOM 461 O LEU A 29 -11.629 -5.431 3.111 1.00 0.00 O ATOM 462 CB LEU A 29 -10.680 -7.772 1.049 1.00 0.00 C ATOM 463 CG LEU A 29 -9.578 -8.315 0.133 1.00 0.00 C ATOM 464 CD1 LEU A 29 -10.211 -9.216 -0.936 1.00 0.00 C ATOM 465 CD2 LEU A 29 -8.838 -7.143 -0.544 1.00 0.00 C ATOM 0 H LEU A 29 -9.053 -8.814 2.591 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.551 -6.083 1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.269 -8.594 1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.364 -7.141 0.481 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.865 -8.892 0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.432 -9.606 -1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.728 -10.046 -0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.924 -8.638 -1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.055 -7.534 -1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.544 -6.560 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.391 -6.506 0.219 1.00 0.00 H new ATOM 477 N ASP A 30 -11.479 -7.381 4.095 1.00 0.00 N ATOM 478 CA ASP A 30 -12.518 -7.004 5.099 1.00 0.00 C ATOM 479 C ASP A 30 -11.972 -5.877 5.985 1.00 0.00 C ATOM 480 O ASP A 30 -12.672 -4.940 6.315 1.00 0.00 O ATOM 481 CB ASP A 30 -12.857 -8.217 5.967 1.00 0.00 C ATOM 482 CG ASP A 30 -14.053 -7.886 6.863 1.00 0.00 C ATOM 483 OD1 ASP A 30 -15.165 -7.908 6.364 1.00 0.00 O ATOM 484 OD2 ASP A 30 -13.834 -7.616 8.032 1.00 0.00 O ATOM 0 H ASP A 30 -11.096 -8.321 4.198 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.419 -6.667 4.586 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.088 -9.075 5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.997 -8.492 6.577 1.00 0.00 H new ATOM 489 N ALA A 31 -10.738 -5.978 6.392 1.00 0.00 N ATOM 490 CA ALA A 31 -10.147 -4.933 7.281 1.00 0.00 C ATOM 491 C ALA A 31 -10.000 -3.596 6.530 1.00 0.00 C ATOM 492 O ALA A 31 -9.988 -2.545 7.137 1.00 0.00 O ATOM 493 CB ALA A 31 -8.780 -5.425 7.771 1.00 0.00 C ATOM 0 H ALA A 31 -10.108 -6.742 6.147 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.807 -4.763 8.132 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.335 -4.673 8.422 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.905 -6.356 8.324 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.127 -5.597 6.915 1.00 0.00 H new ATOM 499 N PHE A 32 -9.916 -3.610 5.228 1.00 0.00 N ATOM 500 CA PHE A 32 -9.804 -2.320 4.469 1.00 0.00 C ATOM 501 C PHE A 32 -10.966 -1.400 4.856 1.00 0.00 C ATOM 502 O PHE A 32 -10.906 -0.199 4.679 1.00 0.00 O ATOM 503 CB PHE A 32 -9.882 -2.637 2.967 1.00 0.00 C ATOM 504 CG PHE A 32 -8.542 -3.126 2.422 1.00 0.00 C ATOM 505 CD1 PHE A 32 -7.494 -3.557 3.270 1.00 0.00 C ATOM 506 CD2 PHE A 32 -8.349 -3.134 1.034 1.00 0.00 C ATOM 507 CE1 PHE A 32 -6.282 -3.980 2.719 1.00 0.00 C ATOM 508 CE2 PHE A 32 -7.132 -3.560 0.492 1.00 0.00 C ATOM 509 CZ PHE A 32 -6.099 -3.978 1.334 1.00 0.00 C ATOM 0 H PHE A 32 -9.920 -4.453 4.654 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.862 -1.824 4.702 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.644 -3.397 2.795 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.193 -1.745 2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.631 -3.559 4.341 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.144 -2.809 0.379 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.483 -4.310 3.366 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.991 -3.566 -0.579 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.158 -4.300 0.914 1.00 0.00 H new ATOM 519 N ASP A 33 -12.031 -1.957 5.358 1.00 0.00 N ATOM 520 CA ASP A 33 -13.209 -1.122 5.726 1.00 0.00 C ATOM 521 C ASP A 33 -12.929 -0.307 6.991 1.00 0.00 C ATOM 522 O ASP A 33 -13.597 0.674 7.252 1.00 0.00 O ATOM 523 CB ASP A 33 -14.413 -2.033 5.978 1.00 0.00 C ATOM 524 CG ASP A 33 -14.657 -2.913 4.751 1.00 0.00 C ATOM 525 OD1 ASP A 33 -13.702 -3.185 4.042 1.00 0.00 O ATOM 526 OD2 ASP A 33 -15.795 -3.299 4.541 1.00 0.00 O ATOM 0 H ASP A 33 -12.138 -2.957 5.530 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.415 -0.435 4.905 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.233 -2.656 6.855 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.298 -1.433 6.189 1.00 0.00 H new ATOM 531 N LYS A 34 -11.950 -0.690 7.779 1.00 0.00 N ATOM 532 CA LYS A 34 -11.633 0.083 9.026 1.00 0.00 C ATOM 533 C LYS A 34 -10.127 0.359 9.099 1.00 0.00 C ATOM 534 O LYS A 34 -9.624 0.802 10.113 1.00 0.00 O ATOM 535 CB LYS A 34 -12.076 -0.712 10.263 1.00 0.00 C ATOM 536 CG LYS A 34 -11.542 -2.143 10.192 1.00 0.00 C ATOM 537 CD LYS A 34 -11.788 -2.851 11.530 1.00 0.00 C ATOM 538 CE LYS A 34 -13.290 -3.074 11.740 1.00 0.00 C ATOM 539 NZ LYS A 34 -13.493 -4.121 12.781 1.00 0.00 N ATOM 0 H LYS A 34 -11.357 -1.503 7.613 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.170 1.031 9.001 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.711 -0.225 11.167 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.164 -0.725 10.325 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.035 -2.686 9.386 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.476 -2.133 9.965 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.265 -3.807 11.546 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.384 -2.253 12.347 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.768 -2.143 12.046 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.758 -3.380 10.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.511 -4.274 12.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.050 -5.009 12.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.060 -3.811 13.674 1.00 0.00 H new ATOM 553 N MET A 35 -9.396 0.115 8.037 1.00 0.00 N ATOM 554 CA MET A 35 -7.926 0.385 8.074 1.00 0.00 C ATOM 555 C MET A 35 -7.698 1.879 7.824 1.00 0.00 C ATOM 556 O MET A 35 -6.876 2.493 8.476 1.00 0.00 O ATOM 557 CB MET A 35 -7.208 -0.465 6.996 1.00 0.00 C ATOM 558 CG MET A 35 -5.883 -1.070 7.523 1.00 0.00 C ATOM 559 SD MET A 35 -6.142 -2.796 8.018 1.00 0.00 S ATOM 560 CE MET A 35 -5.501 -3.578 6.512 1.00 0.00 C ATOM 0 H MET A 35 -9.750 -0.256 7.155 1.00 0.00 H new ATOM 0 HA MET A 35 -7.517 0.114 9.047 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.868 -1.268 6.668 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.002 0.155 6.123 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.116 -1.016 6.750 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.521 -0.490 8.372 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.850 -4.609 6.460 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.856 -3.031 5.639 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.411 -3.565 6.531 1.00 0.00 H new ATOM 570 N CYS A 36 -8.406 2.493 6.906 1.00 0.00 N ATOM 571 CA CYS A 36 -8.168 3.943 6.696 1.00 0.00 C ATOM 572 C CYS A 36 -8.567 4.643 7.993 1.00 0.00 C ATOM 573 O CYS A 36 -8.443 5.844 8.127 1.00 0.00 O ATOM 574 CB CYS A 36 -8.988 4.464 5.511 1.00 0.00 C ATOM 575 SG CYS A 36 -8.033 4.271 3.985 1.00 0.00 S ATOM 0 H CYS A 36 -9.116 2.063 6.313 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.122 4.138 6.458 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.928 3.916 5.436 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.242 5.513 5.664 1.00 0.00 H new ATOM 580 N SER A 37 -9.048 3.900 8.949 1.00 0.00 N ATOM 581 CA SER A 37 -9.459 4.528 10.240 1.00 0.00 C ATOM 582 C SER A 37 -8.237 4.748 11.143 1.00 0.00 C ATOM 583 O SER A 37 -8.359 5.260 12.238 1.00 0.00 O ATOM 584 CB SER A 37 -10.455 3.614 10.954 1.00 0.00 C ATOM 585 OG SER A 37 -11.111 4.346 11.981 1.00 0.00 O ATOM 0 H SER A 37 -9.175 2.889 8.896 1.00 0.00 H new ATOM 0 HA SER A 37 -9.921 5.492 10.030 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.186 3.228 10.243 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.937 2.754 11.378 1.00 0.00 H new ATOM 0 HG SER A 37 -10.445 4.826 12.517 1.00 0.00 H new ATOM 591 N LYS A 38 -7.060 4.354 10.707 1.00 0.00 N ATOM 592 CA LYS A 38 -5.834 4.529 11.559 1.00 0.00 C ATOM 593 C LYS A 38 -4.992 5.721 11.061 1.00 0.00 C ATOM 594 O LYS A 38 -3.834 5.849 11.409 1.00 0.00 O ATOM 595 CB LYS A 38 -4.990 3.242 11.511 1.00 0.00 C ATOM 596 CG LYS A 38 -5.586 2.183 12.449 1.00 0.00 C ATOM 597 CD LYS A 38 -6.980 1.764 11.955 1.00 0.00 C ATOM 598 CE LYS A 38 -7.338 0.383 12.515 1.00 0.00 C ATOM 599 NZ LYS A 38 -8.806 0.160 12.381 1.00 0.00 N ATOM 0 H LYS A 38 -6.895 3.919 9.799 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.144 4.729 12.585 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.957 2.858 10.491 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.963 3.461 11.803 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.930 1.313 12.492 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.655 2.580 13.462 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.723 2.497 12.270 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.997 1.740 10.865 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.791 -0.392 11.979 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.043 0.315 13.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.071 -0.713 12.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.319 0.965 12.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.053 0.072 11.375 1.00 0.00 H new ATOM 613 N LEU A 39 -5.560 6.595 10.258 1.00 0.00 N ATOM 614 CA LEU A 39 -4.792 7.786 9.742 1.00 0.00 C ATOM 615 C LEU A 39 -5.572 9.069 10.094 1.00 0.00 C ATOM 616 O LEU A 39 -6.786 9.056 10.039 1.00 0.00 O ATOM 617 CB LEU A 39 -4.692 7.700 8.210 1.00 0.00 C ATOM 618 CG LEU A 39 -3.990 6.408 7.777 1.00 0.00 C ATOM 619 CD1 LEU A 39 -4.033 6.310 6.252 1.00 0.00 C ATOM 620 CD2 LEU A 39 -2.524 6.418 8.236 1.00 0.00 C ATOM 0 H LEU A 39 -6.526 6.537 9.935 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.797 7.800 10.188 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.690 7.739 7.774 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.144 8.561 7.829 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.498 5.556 8.229 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.536 5.394 5.932 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.070 6.296 5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.523 7.170 5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.038 5.494 7.922 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.009 7.269 7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.483 6.498 9.322 1.00 0.00 H new ATOM 632 N PRO A 40 -4.889 10.157 10.430 1.00 0.00 N ATOM 633 CA PRO A 40 -5.590 11.409 10.752 1.00 0.00 C ATOM 634 C PRO A 40 -6.677 11.690 9.697 1.00 0.00 C ATOM 635 O PRO A 40 -6.630 11.152 8.608 1.00 0.00 O ATOM 636 CB PRO A 40 -4.482 12.490 10.787 1.00 0.00 C ATOM 637 CG PRO A 40 -3.117 11.746 10.741 1.00 0.00 C ATOM 638 CD PRO A 40 -3.413 10.245 10.527 1.00 0.00 C ATOM 0 HA PRO A 40 -6.117 11.377 11.706 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.579 13.169 9.940 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.561 13.094 11.691 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.496 12.133 9.933 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.565 11.900 11.668 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.935 9.873 9.621 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.035 9.646 11.355 1.00 0.00 H new ATOM 646 N LYS A 41 -7.664 12.488 9.995 1.00 0.00 N ATOM 647 CA LYS A 41 -8.735 12.735 8.985 1.00 0.00 C ATOM 648 C LYS A 41 -8.190 13.465 7.751 1.00 0.00 C ATOM 649 O LYS A 41 -8.847 13.538 6.731 1.00 0.00 O ATOM 650 CB LYS A 41 -9.869 13.556 9.614 1.00 0.00 C ATOM 651 CG LYS A 41 -11.201 13.267 8.890 1.00 0.00 C ATOM 652 CD LYS A 41 -11.884 12.044 9.516 1.00 0.00 C ATOM 653 CE LYS A 41 -13.057 11.604 8.639 1.00 0.00 C ATOM 654 NZ LYS A 41 -14.126 12.641 8.681 1.00 0.00 N ATOM 0 H LYS A 41 -7.777 12.976 10.884 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.117 11.767 8.662 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.961 13.311 10.672 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.636 14.619 9.552 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.857 14.135 8.958 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.017 13.089 7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.168 11.228 9.619 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.237 12.286 10.518 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.721 11.454 7.613 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.448 10.649 8.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.981 12.278 8.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.346 12.873 9.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.799 13.497 8.189 1.00 0.00 H new ATOM 668 N SER A 42 -7.043 14.079 7.851 1.00 0.00 N ATOM 669 CA SER A 42 -6.538 14.879 6.697 1.00 0.00 C ATOM 670 C SER A 42 -6.084 14.018 5.516 1.00 0.00 C ATOM 671 O SER A 42 -5.897 14.506 4.420 1.00 0.00 O ATOM 672 CB SER A 42 -5.407 15.805 7.145 1.00 0.00 C ATOM 673 OG SER A 42 -4.729 16.306 5.999 1.00 0.00 O ATOM 0 H SER A 42 -6.438 14.063 8.672 1.00 0.00 H new ATOM 0 HA SER A 42 -7.380 15.473 6.342 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.808 16.630 7.734 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.711 15.264 7.786 1.00 0.00 H new ATOM 0 HG SER A 42 -4.004 16.901 6.282 1.00 0.00 H new ATOM 679 N LEU A 43 -5.928 12.734 5.728 1.00 0.00 N ATOM 680 CA LEU A 43 -5.508 11.816 4.613 1.00 0.00 C ATOM 681 C LEU A 43 -6.661 10.861 4.301 1.00 0.00 C ATOM 682 O LEU A 43 -6.544 10.014 3.438 1.00 0.00 O ATOM 683 CB LEU A 43 -4.290 10.979 5.024 1.00 0.00 C ATOM 684 CG LEU A 43 -3.190 11.864 5.603 1.00 0.00 C ATOM 685 CD1 LEU A 43 -1.927 11.032 5.841 1.00 0.00 C ATOM 686 CD2 LEU A 43 -2.874 13.009 4.634 1.00 0.00 C ATOM 0 H LEU A 43 -6.073 12.276 6.628 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.250 12.420 3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.588 10.234 5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.908 10.437 4.159 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.533 12.280 6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.145 11.668 6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.148 10.227 6.542 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.588 10.607 4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.088 13.636 5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.539 12.598 3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.770 13.609 4.475 1.00 0.00 H new ATOM 698 N SER A 44 -7.759 10.972 5.014 1.00 0.00 N ATOM 699 CA SER A 44 -8.923 10.055 4.781 1.00 0.00 C ATOM 700 C SER A 44 -9.074 9.751 3.289 1.00 0.00 C ATOM 701 O SER A 44 -8.912 8.641 2.825 1.00 0.00 O ATOM 702 CB SER A 44 -10.203 10.711 5.302 1.00 0.00 C ATOM 703 OG SER A 44 -10.325 12.012 4.742 1.00 0.00 O ATOM 0 H SER A 44 -7.899 11.663 5.751 1.00 0.00 H new ATOM 0 HA SER A 44 -8.746 9.120 5.313 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.070 10.106 5.037 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.178 10.772 6.390 1.00 0.00 H new ATOM 0 HG SER A 44 -9.865 12.660 5.316 1.00 0.00 H new ATOM 709 N GLU A 45 -9.542 10.748 2.587 1.00 0.00 N ATOM 710 CA GLU A 45 -9.925 10.647 1.151 1.00 0.00 C ATOM 711 C GLU A 45 -8.899 10.094 0.175 1.00 0.00 C ATOM 712 O GLU A 45 -9.158 9.161 -0.559 1.00 0.00 O ATOM 713 CB GLU A 45 -10.251 12.062 0.672 1.00 0.00 C ATOM 714 CG GLU A 45 -11.385 12.652 1.516 1.00 0.00 C ATOM 715 CD GLU A 45 -12.681 11.890 1.234 1.00 0.00 C ATOM 716 OE1 GLU A 45 -13.040 11.780 0.074 1.00 0.00 O ATOM 717 OE2 GLU A 45 -13.291 11.428 2.183 1.00 0.00 O ATOM 0 H GLU A 45 -9.681 11.680 2.977 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.745 9.929 1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.365 12.693 0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.541 12.042 -0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.136 12.587 2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.514 13.709 1.283 1.00 0.00 H new ATOM 724 N GLU A 46 -7.738 10.660 0.165 1.00 0.00 N ATOM 725 CA GLU A 46 -6.693 10.173 -0.756 1.00 0.00 C ATOM 726 C GLU A 46 -6.468 8.679 -0.516 1.00 0.00 C ATOM 727 O GLU A 46 -6.002 7.973 -1.381 1.00 0.00 O ATOM 728 CB GLU A 46 -5.412 10.988 -0.515 1.00 0.00 C ATOM 729 CG GLU A 46 -4.614 10.421 0.673 1.00 0.00 C ATOM 730 CD GLU A 46 -3.700 9.293 0.191 1.00 0.00 C ATOM 731 OE1 GLU A 46 -2.641 9.602 -0.322 1.00 0.00 O ATOM 732 OE2 GLU A 46 -4.073 8.143 0.348 1.00 0.00 O ATOM 0 H GLU A 46 -7.465 11.444 0.758 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.995 10.302 -1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.794 10.975 -1.413 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.670 12.029 -0.321 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.021 11.210 1.134 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.296 10.048 1.436 1.00 0.00 H new ATOM 739 N CYS A 47 -6.813 8.186 0.641 1.00 0.00 N ATOM 740 CA CYS A 47 -6.629 6.730 0.903 1.00 0.00 C ATOM 741 C CYS A 47 -7.766 5.969 0.223 1.00 0.00 C ATOM 742 O CYS A 47 -7.555 4.948 -0.402 1.00 0.00 O ATOM 743 CB CYS A 47 -6.641 6.470 2.427 1.00 0.00 C ATOM 744 SG CYS A 47 -8.304 6.020 3.011 1.00 0.00 S ATOM 0 H CYS A 47 -7.211 8.723 1.411 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.673 6.391 0.504 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.941 5.670 2.667 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.298 7.361 2.952 1.00 0.00 H new ATOM 749 N GLN A 48 -8.964 6.451 0.343 1.00 0.00 N ATOM 750 CA GLN A 48 -10.103 5.741 -0.295 1.00 0.00 C ATOM 751 C GLN A 48 -9.789 5.511 -1.770 1.00 0.00 C ATOM 752 O GLN A 48 -10.083 4.470 -2.323 1.00 0.00 O ATOM 753 CB GLN A 48 -11.375 6.585 -0.179 1.00 0.00 C ATOM 754 CG GLN A 48 -11.845 6.606 1.274 1.00 0.00 C ATOM 755 CD GLN A 48 -13.106 7.465 1.390 1.00 0.00 C ATOM 756 OE1 GLN A 48 -14.008 7.142 2.137 1.00 0.00 O ATOM 757 NE2 GLN A 48 -13.207 8.553 0.678 1.00 0.00 N ATOM 0 H GLN A 48 -9.206 7.301 0.852 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.257 4.786 0.207 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -11.182 7.601 -0.524 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -12.156 6.174 -0.819 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.050 5.592 1.616 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -11.060 7.005 1.916 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -12.450 8.824 0.051 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -14.043 9.133 0.748 1.00 0.00 H new ATOM 766 N GLU A 49 -9.213 6.484 -2.419 1.00 0.00 N ATOM 767 CA GLU A 49 -8.903 6.332 -3.863 1.00 0.00 C ATOM 768 C GLU A 49 -7.788 5.299 -4.072 1.00 0.00 C ATOM 769 O GLU A 49 -7.843 4.496 -4.983 1.00 0.00 O ATOM 770 CB GLU A 49 -8.474 7.685 -4.437 1.00 0.00 C ATOM 771 CG GLU A 49 -8.389 7.594 -5.963 1.00 0.00 C ATOM 772 CD GLU A 49 -9.796 7.451 -6.546 1.00 0.00 C ATOM 773 OE1 GLU A 49 -10.676 8.172 -6.103 1.00 0.00 O ATOM 774 OE2 GLU A 49 -9.971 6.624 -7.425 1.00 0.00 O ATOM 0 H GLU A 49 -8.944 7.378 -2.009 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.797 5.982 -4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.188 8.456 -4.148 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.507 7.975 -4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.907 8.485 -6.365 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.775 6.741 -6.253 1.00 0.00 H new ATOM 781 N VAL A 50 -6.780 5.299 -3.231 1.00 0.00 N ATOM 782 CA VAL A 50 -5.688 4.296 -3.398 1.00 0.00 C ATOM 783 C VAL A 50 -6.230 2.911 -3.071 1.00 0.00 C ATOM 784 O VAL A 50 -6.075 1.977 -3.834 1.00 0.00 O ATOM 785 CB VAL A 50 -4.511 4.583 -2.452 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.373 3.600 -2.745 1.00 0.00 C ATOM 787 CG2 VAL A 50 -4.007 6.020 -2.651 1.00 0.00 C ATOM 0 H VAL A 50 -6.669 5.942 -2.447 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.336 4.351 -4.428 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.847 4.465 -1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.537 3.801 -2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.724 2.580 -2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.047 3.718 -3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.173 6.210 -1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.676 6.150 -3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.814 6.721 -2.438 1.00 0.00 H new ATOM 797 N VAL A 51 -6.834 2.756 -1.920 1.00 0.00 N ATOM 798 CA VAL A 51 -7.342 1.416 -1.530 1.00 0.00 C ATOM 799 C VAL A 51 -8.377 0.931 -2.551 1.00 0.00 C ATOM 800 O VAL A 51 -8.304 -0.170 -3.058 1.00 0.00 O ATOM 801 CB VAL A 51 -7.910 1.474 -0.106 1.00 0.00 C ATOM 802 CG1 VAL A 51 -8.302 0.079 0.362 1.00 0.00 C ATOM 803 CG2 VAL A 51 -6.856 2.050 0.850 1.00 0.00 C ATOM 0 H VAL A 51 -6.994 3.499 -1.240 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.526 0.693 -1.529 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.793 2.113 -0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.704 0.134 1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.059 -0.330 -0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.424 -0.567 0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.264 2.089 1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.970 1.415 0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.584 3.056 0.529 1.00 0.00 H new ATOM 813 N ASP A 52 -9.377 1.736 -2.801 1.00 0.00 N ATOM 814 CA ASP A 52 -10.478 1.332 -3.724 1.00 0.00 C ATOM 815 C ASP A 52 -9.984 1.101 -5.153 1.00 0.00 C ATOM 816 O ASP A 52 -10.397 0.171 -5.818 1.00 0.00 O ATOM 817 CB ASP A 52 -11.542 2.433 -3.735 1.00 0.00 C ATOM 818 CG ASP A 52 -12.746 1.972 -4.558 1.00 0.00 C ATOM 819 OD1 ASP A 52 -13.201 0.862 -4.333 1.00 0.00 O ATOM 820 OD2 ASP A 52 -13.193 2.735 -5.398 1.00 0.00 O ATOM 0 H ASP A 52 -9.478 2.668 -2.399 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.889 0.390 -3.361 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.852 2.664 -2.716 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.128 3.349 -4.158 1.00 0.00 H new ATOM 825 N THR A 53 -9.124 1.950 -5.644 1.00 0.00 N ATOM 826 CA THR A 53 -8.631 1.793 -7.041 1.00 0.00 C ATOM 827 C THR A 53 -7.424 0.861 -7.092 1.00 0.00 C ATOM 828 O THR A 53 -7.294 0.079 -8.013 1.00 0.00 O ATOM 829 CB THR A 53 -8.236 3.167 -7.589 1.00 0.00 C ATOM 830 OG1 THR A 53 -9.307 4.079 -7.386 1.00 0.00 O ATOM 831 CG2 THR A 53 -7.936 3.059 -9.085 1.00 0.00 C ATOM 0 H THR A 53 -8.741 2.748 -5.137 1.00 0.00 H new ATOM 0 HA THR A 53 -9.427 1.359 -7.646 1.00 0.00 H new ATOM 0 HB THR A 53 -7.347 3.523 -7.069 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.000 4.991 -7.573 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.655 4.039 -9.471 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.116 2.358 -9.242 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.823 2.703 -9.609 1.00 0.00 H new ATOM 839 N TYR A 54 -6.526 0.945 -6.142 1.00 0.00 N ATOM 840 CA TYR A 54 -5.310 0.069 -6.181 1.00 0.00 C ATOM 841 C TYR A 54 -5.328 -0.998 -5.080 1.00 0.00 C ATOM 842 O TYR A 54 -4.306 -1.385 -4.556 1.00 0.00 O ATOM 843 CB TYR A 54 -4.066 0.932 -6.027 1.00 0.00 C ATOM 844 CG TYR A 54 -3.910 1.819 -7.239 1.00 0.00 C ATOM 845 CD1 TYR A 54 -4.540 3.065 -7.267 1.00 0.00 C ATOM 846 CD2 TYR A 54 -3.136 1.402 -8.328 1.00 0.00 C ATOM 847 CE1 TYR A 54 -4.402 3.900 -8.376 1.00 0.00 C ATOM 848 CE2 TYR A 54 -2.994 2.238 -9.444 1.00 0.00 C ATOM 849 CZ TYR A 54 -3.627 3.488 -9.468 1.00 0.00 C ATOM 850 OH TYR A 54 -3.488 4.312 -10.566 1.00 0.00 O ATOM 0 H TYR A 54 -6.580 1.578 -5.344 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.304 -0.448 -7.141 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.143 1.541 -5.126 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.185 0.300 -5.911 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.137 3.384 -6.426 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.649 0.438 -8.308 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.892 4.862 -8.393 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.397 1.919 -10.285 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.918 3.875 -11.233 1.00 0.00 H new ATOM 860 N GLY A 55 -6.495 -1.440 -4.695 1.00 0.00 N ATOM 861 CA GLY A 55 -6.598 -2.439 -3.593 1.00 0.00 C ATOM 862 C GLY A 55 -6.335 -3.860 -4.088 1.00 0.00 C ATOM 863 O GLY A 55 -5.537 -4.579 -3.521 1.00 0.00 O ATOM 0 H GLY A 55 -7.386 -1.150 -5.099 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.884 -2.189 -2.808 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.591 -2.387 -3.148 1.00 0.00 H new ATOM 867 N SER A 56 -7.009 -4.292 -5.118 1.00 0.00 N ATOM 868 CA SER A 56 -6.790 -5.684 -5.591 1.00 0.00 C ATOM 869 C SER A 56 -5.404 -5.814 -6.204 1.00 0.00 C ATOM 870 O SER A 56 -4.819 -6.879 -6.233 1.00 0.00 O ATOM 871 CB SER A 56 -7.829 -6.055 -6.645 1.00 0.00 C ATOM 872 OG SER A 56 -9.092 -5.517 -6.276 1.00 0.00 O ATOM 0 H SER A 56 -7.693 -3.749 -5.645 1.00 0.00 H new ATOM 0 HA SER A 56 -6.881 -6.354 -4.736 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.528 -5.669 -7.619 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.897 -7.139 -6.738 1.00 0.00 H new ATOM 0 HG SER A 56 -9.759 -5.754 -6.954 1.00 0.00 H new ATOM 878 N SER A 57 -4.903 -4.744 -6.760 1.00 0.00 N ATOM 879 CA SER A 57 -3.588 -4.826 -7.447 1.00 0.00 C ATOM 880 C SER A 57 -2.430 -4.859 -6.448 1.00 0.00 C ATOM 881 O SER A 57 -1.550 -5.687 -6.547 1.00 0.00 O ATOM 882 CB SER A 57 -3.421 -3.660 -8.421 1.00 0.00 C ATOM 883 OG SER A 57 -3.452 -2.436 -7.698 1.00 0.00 O ATOM 0 H SER A 57 -5.345 -3.825 -6.767 1.00 0.00 H new ATOM 0 HA SER A 57 -3.566 -5.760 -8.008 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.478 -3.754 -8.960 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.217 -3.676 -9.166 1.00 0.00 H new ATOM 0 HG SER A 57 -3.343 -1.686 -8.320 1.00 0.00 H new ATOM 889 N ILE A 58 -2.438 -3.998 -5.463 1.00 0.00 N ATOM 890 CA ILE A 58 -1.345 -4.017 -4.449 1.00 0.00 C ATOM 891 C ILE A 58 -1.274 -5.404 -3.819 1.00 0.00 C ATOM 892 O ILE A 58 -0.240 -6.039 -3.763 1.00 0.00 O ATOM 893 CB ILE A 58 -1.648 -2.994 -3.334 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.445 -1.570 -3.870 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.702 -3.233 -2.140 1.00 0.00 C ATOM 896 CD1 ILE A 58 -1.932 -0.545 -2.834 1.00 0.00 C ATOM 0 H ILE A 58 -3.153 -3.285 -5.318 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.402 -3.767 -4.936 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.681 -3.114 -3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.391 -1.403 -4.092 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.991 -1.443 -4.805 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.918 -2.509 -1.354 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.850 -4.242 -1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.332 -3.117 -2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.784 0.463 -3.222 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.991 -0.705 -2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.366 -0.664 -1.910 1.00 0.00 H new ATOM 908 N LEU A 59 -2.389 -5.845 -3.322 1.00 0.00 N ATOM 909 CA LEU A 59 -2.454 -7.165 -2.655 1.00 0.00 C ATOM 910 C LEU A 59 -2.080 -8.257 -3.653 1.00 0.00 C ATOM 911 O LEU A 59 -1.683 -9.335 -3.278 1.00 0.00 O ATOM 912 CB LEU A 59 -3.885 -7.374 -2.108 1.00 0.00 C ATOM 913 CG LEU A 59 -4.221 -8.868 -1.850 1.00 0.00 C ATOM 914 CD1 LEU A 59 -3.246 -9.483 -0.823 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.673 -8.989 -1.311 1.00 0.00 C ATOM 0 H LEU A 59 -3.273 -5.337 -3.351 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.750 -7.210 -1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.999 -6.816 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.603 -6.962 -2.817 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.124 -9.409 -2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.502 -10.530 -0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.227 -9.414 -1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.320 -8.940 0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.908 -10.038 -1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.763 -8.431 -0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.369 -8.583 -2.045 1.00 0.00 H new ATOM 927 N SER A 60 -2.236 -8.027 -4.931 1.00 0.00 N ATOM 928 CA SER A 60 -1.911 -9.124 -5.887 1.00 0.00 C ATOM 929 C SER A 60 -0.393 -9.178 -6.099 1.00 0.00 C ATOM 930 O SER A 60 0.194 -10.231 -6.260 1.00 0.00 O ATOM 931 CB SER A 60 -2.617 -8.852 -7.213 1.00 0.00 C ATOM 932 OG SER A 60 -3.980 -9.240 -7.107 1.00 0.00 O ATOM 0 H SER A 60 -2.564 -7.154 -5.344 1.00 0.00 H new ATOM 0 HA SER A 60 -2.248 -10.081 -5.489 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.547 -7.794 -7.465 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.131 -9.405 -8.017 1.00 0.00 H new ATOM 0 HG SER A 60 -4.506 -8.493 -6.751 1.00 0.00 H new ATOM 938 N ILE A 61 0.235 -8.029 -6.104 1.00 0.00 N ATOM 939 CA ILE A 61 1.712 -7.958 -6.309 1.00 0.00 C ATOM 940 C ILE A 61 2.450 -8.513 -5.091 1.00 0.00 C ATOM 941 O ILE A 61 3.401 -9.259 -5.206 1.00 0.00 O ATOM 942 CB ILE A 61 2.125 -6.489 -6.502 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.180 -5.795 -7.541 1.00 0.00 C ATOM 944 CG2 ILE A 61 3.599 -6.439 -6.938 1.00 0.00 C ATOM 945 CD1 ILE A 61 1.962 -5.104 -8.667 1.00 0.00 C ATOM 0 H ILE A 61 -0.220 -7.126 -5.973 1.00 0.00 H new ATOM 0 HA ILE A 61 1.971 -8.549 -7.187 1.00 0.00 H new ATOM 0 HB ILE A 61 2.026 -5.942 -5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.508 -6.538 -7.971 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.558 -5.060 -7.030 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.902 -5.401 -7.078 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.221 -6.899 -6.170 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.720 -6.982 -7.876 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.264 -4.638 -9.362 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.615 -4.341 -8.242 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.564 -5.842 -9.198 1.00 0.00 H new ATOM 957 N LEU A 62 2.037 -8.114 -3.923 1.00 0.00 N ATOM 958 CA LEU A 62 2.722 -8.568 -2.683 1.00 0.00 C ATOM 959 C LEU A 62 2.716 -10.102 -2.623 1.00 0.00 C ATOM 960 O LEU A 62 3.679 -10.722 -2.220 1.00 0.00 O ATOM 961 CB LEU A 62 1.976 -7.959 -1.473 1.00 0.00 C ATOM 962 CG LEU A 62 2.866 -6.934 -0.748 1.00 0.00 C ATOM 963 CD1 LEU A 62 1.994 -6.009 0.111 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.882 -7.682 0.129 1.00 0.00 C ATOM 0 H LEU A 62 1.247 -7.487 -3.773 1.00 0.00 H new ATOM 0 HA LEU A 62 3.761 -8.239 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.058 -7.478 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.686 -8.750 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 62 3.402 -6.326 -1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.627 -5.284 0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.283 -5.483 -0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.451 -6.601 0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.516 -6.962 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.352 -8.290 0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.500 -8.325 -0.498 1.00 0.00 H new ATOM 976 N LEU A 63 1.638 -10.710 -3.024 1.00 0.00 N ATOM 977 CA LEU A 63 1.559 -12.195 -2.996 1.00 0.00 C ATOM 978 C LEU A 63 2.497 -12.777 -4.063 1.00 0.00 C ATOM 979 O LEU A 63 2.795 -13.954 -4.057 1.00 0.00 O ATOM 980 CB LEU A 63 0.107 -12.631 -3.240 1.00 0.00 C ATOM 981 CG LEU A 63 -0.717 -12.565 -1.931 1.00 0.00 C ATOM 982 CD1 LEU A 63 -0.395 -11.299 -1.128 1.00 0.00 C ATOM 983 CD2 LEU A 63 -2.208 -12.581 -2.279 1.00 0.00 C ATOM 0 H LEU A 63 0.803 -10.240 -3.372 1.00 0.00 H new ATOM 0 HA LEU A 63 1.873 -12.569 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.348 -11.988 -3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.090 -13.647 -3.635 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.458 -13.428 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.991 -11.285 -0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.664 -11.292 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.628 -10.419 -1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.796 -12.535 -1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.445 -11.721 -2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.446 -13.499 -2.817 1.00 0.00 H new ATOM 995 N GLU A 64 2.976 -11.964 -4.973 1.00 0.00 N ATOM 996 CA GLU A 64 3.904 -12.481 -6.025 1.00 0.00 C ATOM 997 C GLU A 64 5.344 -12.384 -5.503 1.00 0.00 C ATOM 998 O GLU A 64 6.290 -12.228 -6.251 1.00 0.00 O ATOM 999 CB GLU A 64 3.750 -11.665 -7.313 1.00 0.00 C ATOM 1000 CG GLU A 64 2.463 -12.077 -8.033 1.00 0.00 C ATOM 1001 CD GLU A 64 2.629 -13.482 -8.616 1.00 0.00 C ATOM 1002 OE1 GLU A 64 3.609 -13.703 -9.309 1.00 0.00 O ATOM 1003 OE2 GLU A 64 1.772 -14.312 -8.361 1.00 0.00 O ATOM 0 H GLU A 64 2.765 -10.968 -5.032 1.00 0.00 H new ATOM 0 HA GLU A 64 3.664 -13.520 -6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.723 -10.601 -7.080 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.610 -11.827 -7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.623 -12.057 -7.338 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.236 -11.367 -8.828 1.00 0.00 H new ATOM 1010 N GLU A 65 5.499 -12.538 -4.218 1.00 0.00 N ATOM 1011 CA GLU A 65 6.860 -12.528 -3.604 1.00 0.00 C ATOM 1012 C GLU A 65 7.714 -11.340 -4.077 1.00 0.00 C ATOM 1013 O GLU A 65 8.925 -11.419 -4.129 1.00 0.00 O ATOM 1014 CB GLU A 65 7.572 -13.810 -4.046 1.00 0.00 C ATOM 1015 CG GLU A 65 6.880 -15.027 -3.424 1.00 0.00 C ATOM 1016 CD GLU A 65 5.501 -15.212 -4.059 1.00 0.00 C ATOM 1017 OE1 GLU A 65 5.423 -15.192 -5.276 1.00 0.00 O ATOM 1018 OE2 GLU A 65 4.546 -15.369 -3.317 1.00 0.00 O ATOM 0 H GLU A 65 4.733 -12.672 -3.558 1.00 0.00 H new ATOM 0 HA GLU A 65 6.743 -12.452 -2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.559 -13.888 -5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.618 -13.780 -3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.485 -15.920 -3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.781 -14.891 -2.347 1.00 0.00 H new ATOM 1025 N VAL A 66 7.095 -10.231 -4.386 1.00 0.00 N ATOM 1026 CA VAL A 66 7.860 -9.016 -4.815 1.00 0.00 C ATOM 1027 C VAL A 66 8.151 -8.169 -3.560 1.00 0.00 C ATOM 1028 O VAL A 66 7.353 -8.108 -2.646 1.00 0.00 O ATOM 1029 CB VAL A 66 6.997 -8.224 -5.824 1.00 0.00 C ATOM 1030 CG1 VAL A 66 7.337 -6.727 -5.786 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.251 -8.756 -7.241 1.00 0.00 C ATOM 0 H VAL A 66 6.082 -10.111 -4.360 1.00 0.00 H new ATOM 0 HA VAL A 66 8.802 -9.284 -5.294 1.00 0.00 H new ATOM 0 HB VAL A 66 5.949 -8.352 -5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.715 -6.194 -6.505 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.150 -6.337 -4.786 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.388 -6.586 -6.040 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.643 -8.198 -7.953 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.305 -8.636 -7.491 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.986 -9.812 -7.286 1.00 0.00 H new ATOM 1041 N SER A 67 9.289 -7.517 -3.511 1.00 0.00 N ATOM 1042 CA SER A 67 9.621 -6.679 -2.316 1.00 0.00 C ATOM 1043 C SER A 67 8.465 -5.685 -2.054 1.00 0.00 C ATOM 1044 O SER A 67 7.792 -5.293 -2.985 1.00 0.00 O ATOM 1045 CB SER A 67 10.928 -5.912 -2.579 1.00 0.00 C ATOM 1046 OG SER A 67 11.768 -6.699 -3.413 1.00 0.00 O ATOM 0 H SER A 67 9.999 -7.529 -4.244 1.00 0.00 H new ATOM 0 HA SER A 67 9.752 -7.315 -1.441 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.714 -4.956 -3.056 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.432 -5.693 -1.637 1.00 0.00 H new ATOM 0 HG SER A 67 12.603 -6.215 -3.586 1.00 0.00 H new ATOM 1052 N PRO A 68 8.249 -5.302 -0.806 1.00 0.00 N ATOM 1053 CA PRO A 68 7.156 -4.363 -0.469 1.00 0.00 C ATOM 1054 C PRO A 68 7.395 -2.962 -1.072 1.00 0.00 C ATOM 1055 O PRO A 68 6.475 -2.301 -1.499 1.00 0.00 O ATOM 1056 CB PRO A 68 7.173 -4.282 1.079 1.00 0.00 C ATOM 1057 CG PRO A 68 8.468 -4.986 1.563 1.00 0.00 C ATOM 1058 CD PRO A 68 9.043 -5.762 0.362 1.00 0.00 C ATOM 0 HA PRO A 68 6.202 -4.706 -0.870 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.153 -3.244 1.410 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.292 -4.767 1.499 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.189 -4.255 1.929 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.252 -5.662 2.390 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.104 -5.551 0.226 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.948 -6.838 0.505 1.00 0.00 H new ATOM 1066 N GLU A 69 8.610 -2.491 -1.062 1.00 0.00 N ATOM 1067 CA GLU A 69 8.886 -1.117 -1.585 1.00 0.00 C ATOM 1068 C GLU A 69 8.841 -1.096 -3.119 1.00 0.00 C ATOM 1069 O GLU A 69 8.641 -0.058 -3.737 1.00 0.00 O ATOM 1070 CB GLU A 69 10.270 -0.683 -1.082 1.00 0.00 C ATOM 1071 CG GLU A 69 10.771 0.548 -1.848 1.00 0.00 C ATOM 1072 CD GLU A 69 9.672 1.613 -1.902 1.00 0.00 C ATOM 1073 OE1 GLU A 69 9.152 1.953 -0.853 1.00 0.00 O ATOM 1074 OE2 GLU A 69 9.371 2.070 -2.993 1.00 0.00 O ATOM 0 H GLU A 69 9.426 -2.995 -0.715 1.00 0.00 H new ATOM 0 HA GLU A 69 8.122 -0.426 -1.227 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.220 -0.457 -0.017 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.978 -1.503 -1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.658 0.953 -1.361 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.064 0.264 -2.859 1.00 0.00 H new ATOM 1081 N LEU A 70 9.001 -2.222 -3.748 1.00 0.00 N ATOM 1082 CA LEU A 70 8.950 -2.217 -5.234 1.00 0.00 C ATOM 1083 C LEU A 70 7.497 -1.954 -5.651 1.00 0.00 C ATOM 1084 O LEU A 70 7.213 -1.636 -6.789 1.00 0.00 O ATOM 1085 CB LEU A 70 9.474 -3.548 -5.796 1.00 0.00 C ATOM 1086 CG LEU A 70 11.001 -3.622 -5.643 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.478 -5.061 -5.889 1.00 0.00 C ATOM 1088 CD2 LEU A 70 11.707 -2.678 -6.636 1.00 0.00 C ATOM 0 H LEU A 70 9.162 -3.129 -3.310 1.00 0.00 H new ATOM 0 HA LEU A 70 9.591 -1.434 -5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.007 -4.382 -5.271 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.201 -3.640 -6.847 1.00 0.00 H new ATOM 0 HG LEU A 70 11.254 -3.312 -4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.561 -5.109 -5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.010 -5.728 -5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.201 -5.369 -6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.786 -2.752 -6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.446 -2.961 -7.656 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.389 -1.652 -6.452 1.00 0.00 H new ATOM 1100 N VAL A 71 6.574 -2.112 -4.733 1.00 0.00 N ATOM 1101 CA VAL A 71 5.136 -1.898 -5.078 1.00 0.00 C ATOM 1102 C VAL A 71 4.890 -0.436 -5.462 1.00 0.00 C ATOM 1103 O VAL A 71 4.329 -0.164 -6.502 1.00 0.00 O ATOM 1104 CB VAL A 71 4.231 -2.308 -3.888 1.00 0.00 C ATOM 1105 CG1 VAL A 71 2.840 -1.631 -3.966 1.00 0.00 C ATOM 1106 CG2 VAL A 71 4.060 -3.830 -3.884 1.00 0.00 C ATOM 0 H VAL A 71 6.754 -2.379 -3.765 1.00 0.00 H new ATOM 0 HA VAL A 71 4.886 -2.524 -5.934 1.00 0.00 H new ATOM 0 HB VAL A 71 4.712 -1.978 -2.967 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.235 -1.943 -3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.961 -0.548 -3.947 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.344 -1.925 -4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.424 -4.122 -3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.599 -4.147 -4.819 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.035 -4.305 -3.781 1.00 0.00 H new ATOM 1116 N CYS A 72 5.250 0.516 -4.648 1.00 0.00 N ATOM 1117 CA CYS A 72 4.944 1.922 -5.036 1.00 0.00 C ATOM 1118 C CYS A 72 5.774 2.336 -6.264 1.00 0.00 C ATOM 1119 O CYS A 72 5.371 3.181 -7.037 1.00 0.00 O ATOM 1120 CB CYS A 72 5.224 2.868 -3.849 1.00 0.00 C ATOM 1121 SG CYS A 72 3.942 4.137 -3.754 1.00 0.00 S ATOM 0 H CYS A 72 5.729 0.390 -3.756 1.00 0.00 H new ATOM 0 HA CYS A 72 3.889 1.992 -5.300 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.254 2.299 -2.920 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.202 3.335 -3.968 1.00 0.00 H new ATOM 1126 N SER A 73 6.923 1.738 -6.457 1.00 0.00 N ATOM 1127 CA SER A 73 7.749 2.108 -7.652 1.00 0.00 C ATOM 1128 C SER A 73 7.176 1.467 -8.939 1.00 0.00 C ATOM 1129 O SER A 73 7.164 2.089 -9.983 1.00 0.00 O ATOM 1130 CB SER A 73 9.196 1.658 -7.447 1.00 0.00 C ATOM 1131 OG SER A 73 10.045 2.407 -8.306 1.00 0.00 O ATOM 0 H SER A 73 7.322 1.021 -5.851 1.00 0.00 H new ATOM 0 HA SER A 73 7.721 3.192 -7.765 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.491 1.803 -6.408 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.292 0.593 -7.660 1.00 0.00 H new ATOM 0 HG SER A 73 10.974 2.123 -8.177 1.00 0.00 H new ATOM 1137 N MET A 74 6.705 0.245 -8.887 1.00 0.00 N ATOM 1138 CA MET A 74 6.144 -0.400 -10.127 1.00 0.00 C ATOM 1139 C MET A 74 4.769 0.204 -10.484 1.00 0.00 C ATOM 1140 O MET A 74 4.478 0.427 -11.642 1.00 0.00 O ATOM 1141 CB MET A 74 5.984 -1.931 -9.901 1.00 0.00 C ATOM 1142 CG MET A 74 7.170 -2.720 -10.487 1.00 0.00 C ATOM 1143 SD MET A 74 6.694 -4.457 -10.713 1.00 0.00 S ATOM 1144 CE MET A 74 5.839 -4.713 -9.136 1.00 0.00 C ATOM 0 H MET A 74 6.682 -0.335 -8.048 1.00 0.00 H new ATOM 0 HA MET A 74 6.836 -0.217 -10.949 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.903 -2.135 -8.833 1.00 0.00 H new ATOM 0 HB3 MET A 74 5.057 -2.272 -10.362 1.00 0.00 H new ATOM 0 HG2 MET A 74 7.471 -2.288 -11.441 1.00 0.00 H new ATOM 0 HG3 MET A 74 8.030 -2.652 -9.821 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.736 -5.782 -8.947 1.00 0.00 H new ATOM 0 HE2 MET A 74 6.415 -4.256 -8.331 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.851 -4.255 -9.179 1.00 0.00 H new ATOM 1154 N LEU A 75 3.918 0.456 -9.528 1.00 0.00 N ATOM 1155 CA LEU A 75 2.578 1.021 -9.875 1.00 0.00 C ATOM 1156 C LEU A 75 2.720 2.487 -10.305 1.00 0.00 C ATOM 1157 O LEU A 75 1.755 3.221 -10.369 1.00 0.00 O ATOM 1158 CB LEU A 75 1.641 0.921 -8.662 1.00 0.00 C ATOM 1159 CG LEU A 75 1.548 -0.535 -8.162 1.00 0.00 C ATOM 1160 CD1 LEU A 75 0.463 -0.645 -7.087 1.00 0.00 C ATOM 1161 CD2 LEU A 75 1.208 -1.484 -9.324 1.00 0.00 C ATOM 0 H LEU A 75 4.086 0.299 -8.534 1.00 0.00 H new ATOM 0 HA LEU A 75 2.156 0.450 -10.702 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.006 1.563 -7.860 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.649 1.282 -8.932 1.00 0.00 H new ATOM 0 HG LEU A 75 2.513 -0.819 -7.743 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.401 -1.675 -6.737 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.712 0.008 -6.251 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.497 -0.346 -7.507 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.147 -2.507 -8.952 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.250 -1.198 -9.759 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.986 -1.421 -10.085 1.00 0.00 H new ATOM 1173 N HIS A 76 3.916 2.914 -10.606 1.00 0.00 N ATOM 1174 CA HIS A 76 4.129 4.328 -11.041 1.00 0.00 C ATOM 1175 C HIS A 76 3.453 5.287 -10.052 1.00 0.00 C ATOM 1176 O HIS A 76 3.136 6.406 -10.402 1.00 0.00 O ATOM 1177 CB HIS A 76 3.548 4.530 -12.444 1.00 0.00 C ATOM 1178 CG HIS A 76 4.217 3.585 -13.404 1.00 0.00 C ATOM 1179 ND1 HIS A 76 3.536 2.992 -14.455 1.00 0.00 N ATOM 1180 CD2 HIS A 76 5.507 3.119 -13.483 1.00 0.00 C ATOM 1181 CE1 HIS A 76 4.409 2.211 -15.116 1.00 0.00 C ATOM 1182 NE2 HIS A 76 5.625 2.251 -14.564 1.00 0.00 N ATOM 0 H HIS A 76 4.760 2.343 -10.570 1.00 0.00 H new ATOM 0 HA HIS A 76 5.198 4.538 -11.063 1.00 0.00 H new ATOM 0 HB2 HIS A 76 2.472 4.353 -12.433 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.698 5.560 -12.767 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.307 3.386 -12.809 1.00 0.00 H new ATOM 0 HE1 HIS A 76 4.158 1.623 -15.987 1.00 0.00 H new ATOM 0 HE2 HIS A 76 6.461 1.752 -14.870 1.00 0.00 H new ATOM 1190 N LEU A 77 3.224 4.888 -8.831 1.00 0.00 N ATOM 1191 CA LEU A 77 2.566 5.823 -7.871 1.00 0.00 C ATOM 1192 C LEU A 77 3.620 6.738 -7.247 1.00 0.00 C ATOM 1193 O LEU A 77 3.288 7.724 -6.619 1.00 0.00 O ATOM 1194 CB LEU A 77 1.840 5.035 -6.758 1.00 0.00 C ATOM 1195 CG LEU A 77 0.505 4.425 -7.241 1.00 0.00 C ATOM 1196 CD1 LEU A 77 -0.256 3.892 -6.025 1.00 0.00 C ATOM 1197 CD2 LEU A 77 -0.385 5.468 -7.954 1.00 0.00 C ATOM 0 H LEU A 77 3.460 3.968 -8.459 1.00 0.00 H new ATOM 0 HA LEU A 77 1.832 6.421 -8.411 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.491 4.238 -6.397 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.649 5.697 -5.914 1.00 0.00 H new ATOM 0 HG LEU A 77 0.735 3.631 -7.952 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.202 3.458 -6.349 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.342 3.129 -5.527 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.451 4.710 -5.331 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.313 4.995 -8.276 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.613 6.283 -7.267 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.142 5.863 -8.823 1.00 0.00 H new ATOM 1209 N CYS A 78 4.885 6.440 -7.433 1.00 0.00 N ATOM 1210 CA CYS A 78 5.962 7.318 -6.870 1.00 0.00 C ATOM 1211 C CYS A 78 6.928 7.705 -7.994 1.00 0.00 C ATOM 1212 O CYS A 78 8.120 7.822 -7.794 1.00 0.00 O ATOM 1213 CB CYS A 78 6.726 6.587 -5.765 1.00 0.00 C ATOM 1214 SG CYS A 78 5.715 6.516 -4.269 1.00 0.00 S ATOM 0 H CYS A 78 5.218 5.627 -7.950 1.00 0.00 H new ATOM 0 HA CYS A 78 5.508 8.212 -6.443 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.981 5.579 -6.092 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.664 7.101 -5.557 1.00 0.00 H new