USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 528 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 13 LYS NZ :NH3+ 162:sc= 0.0264 (180deg=0.000757) USER MOD Single : A 16 THR OG1 : rot -99:sc= -4.94! USER MOD Single : A 17 LYS NZ :NH3+ 172:sc= -0.755 (180deg=-0.969) USER MOD Single : A 21 ASN : amide:sc= -3.64! K(o=-3.6!,f=-1.9) USER MOD Single : A 22 ASN : amide:sc= -9.53! C(o=-9.5!,f=-5.3!) USER MOD Single : A 23 LYS NZ :NH3+ -139:sc= -1.61! (180deg=-3.28!) USER MOD Single : A 24 THR OG1 : rot -140:sc= -0.187 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -156:sc= -1.27! (180deg=-2.59!) USER MOD Single : A 35 MET CE :methyl -129:sc= -2.32 (180deg=-6.45!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 134:sc= -0.127 (180deg=-0.841) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -56:sc= 0.0237 USER MOD Single : A 48 GLN : amide:sc= -1.58 K(o=-1.6,f=-3.7!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -46:sc= 0.00527 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -163:sc= -1 (180deg=-2.72!) USER MOD ----------------------------------------------------------------- ATOM 104 N CYS A 8 12.565 -2.517 10.035 1.00 0.00 N ATOM 105 CA CYS A 8 11.543 -2.436 8.952 1.00 0.00 C ATOM 106 C CYS A 8 11.149 -3.839 8.471 1.00 0.00 C ATOM 107 O CYS A 8 9.992 -4.200 8.499 1.00 0.00 O ATOM 108 CB CYS A 8 12.095 -1.613 7.780 1.00 0.00 C ATOM 109 SG CYS A 8 13.456 -2.503 6.979 1.00 0.00 S ATOM 0 HA CYS A 8 10.653 -1.948 9.348 1.00 0.00 H new ATOM 0 HB2 CYS A 8 11.303 -1.418 7.057 1.00 0.00 H new ATOM 0 HB3 CYS A 8 12.445 -0.645 8.138 1.00 0.00 H new ATOM 114 N GLU A 9 12.087 -4.626 8.013 1.00 0.00 N ATOM 115 CA GLU A 9 11.724 -5.997 7.509 1.00 0.00 C ATOM 116 C GLU A 9 10.880 -6.740 8.552 1.00 0.00 C ATOM 117 O GLU A 9 10.108 -7.618 8.224 1.00 0.00 O ATOM 118 CB GLU A 9 12.975 -6.845 7.178 1.00 0.00 C ATOM 119 CG GLU A 9 13.910 -6.980 8.406 1.00 0.00 C ATOM 120 CD GLU A 9 14.593 -8.354 8.399 1.00 0.00 C ATOM 121 OE1 GLU A 9 15.598 -8.491 7.720 1.00 0.00 O ATOM 122 OE2 GLU A 9 14.099 -9.242 9.074 1.00 0.00 O ATOM 0 H GLU A 9 13.078 -4.389 7.963 1.00 0.00 H new ATOM 0 HA GLU A 9 11.152 -5.858 6.592 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.666 -7.835 6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.520 -6.385 6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.662 -6.191 8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.337 -6.854 9.325 1.00 0.00 H new ATOM 129 N PHE A 10 11.037 -6.416 9.805 1.00 0.00 N ATOM 130 CA PHE A 10 10.265 -7.128 10.864 1.00 0.00 C ATOM 131 C PHE A 10 8.802 -6.663 10.898 1.00 0.00 C ATOM 132 O PHE A 10 7.904 -7.450 11.120 1.00 0.00 O ATOM 133 CB PHE A 10 10.911 -6.855 12.224 1.00 0.00 C ATOM 134 CG PHE A 10 10.174 -7.621 13.297 1.00 0.00 C ATOM 135 CD1 PHE A 10 10.370 -9.001 13.430 1.00 0.00 C ATOM 136 CD2 PHE A 10 9.294 -6.953 14.159 1.00 0.00 C ATOM 137 CE1 PHE A 10 9.687 -9.713 14.423 1.00 0.00 C ATOM 138 CE2 PHE A 10 8.611 -7.665 15.152 1.00 0.00 C ATOM 139 CZ PHE A 10 8.808 -9.045 15.284 1.00 0.00 C ATOM 0 H PHE A 10 11.667 -5.688 10.143 1.00 0.00 H new ATOM 0 HA PHE A 10 10.279 -8.195 10.640 1.00 0.00 H new ATOM 0 HB2 PHE A 10 11.960 -7.152 12.206 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.886 -5.787 12.442 1.00 0.00 H new ATOM 0 HD1 PHE A 10 11.048 -9.516 12.766 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.143 -5.889 14.057 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.838 -10.778 14.525 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.932 -7.150 15.816 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.282 -9.594 16.050 1.00 0.00 H new ATOM 149 N LEU A 11 8.551 -5.397 10.705 1.00 0.00 N ATOM 150 CA LEU A 11 7.140 -4.907 10.761 1.00 0.00 C ATOM 151 C LEU A 11 6.401 -5.235 9.461 1.00 0.00 C ATOM 152 O LEU A 11 5.354 -5.850 9.475 1.00 0.00 O ATOM 153 CB LEU A 11 7.128 -3.391 10.982 1.00 0.00 C ATOM 154 CG LEU A 11 7.936 -3.045 12.236 1.00 0.00 C ATOM 155 CD1 LEU A 11 8.194 -1.537 12.272 1.00 0.00 C ATOM 156 CD2 LEU A 11 7.164 -3.464 13.498 1.00 0.00 C ATOM 0 H LEU A 11 9.254 -4.684 10.512 1.00 0.00 H new ATOM 0 HA LEU A 11 6.635 -5.406 11.588 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.550 -2.884 10.114 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.102 -3.038 11.090 1.00 0.00 H new ATOM 0 HG LEU A 11 8.884 -3.581 12.208 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.769 -1.287 13.164 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.754 -1.242 11.385 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.243 -1.006 12.293 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.749 -3.213 14.383 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.210 -2.938 13.532 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.985 -4.539 13.475 1.00 0.00 H new ATOM 168 N VAL A 12 6.923 -4.820 8.341 1.00 0.00 N ATOM 169 CA VAL A 12 6.231 -5.098 7.053 1.00 0.00 C ATOM 170 C VAL A 12 6.028 -6.603 6.878 1.00 0.00 C ATOM 171 O VAL A 12 5.093 -7.028 6.242 1.00 0.00 O ATOM 172 CB VAL A 12 7.071 -4.549 5.906 1.00 0.00 C ATOM 173 CG1 VAL A 12 8.435 -5.240 5.887 1.00 0.00 C ATOM 174 CG2 VAL A 12 6.346 -4.771 4.574 1.00 0.00 C ATOM 0 H VAL A 12 7.798 -4.301 8.262 1.00 0.00 H new ATOM 0 HA VAL A 12 5.254 -4.614 7.055 1.00 0.00 H new ATOM 0 HB VAL A 12 7.219 -3.479 6.050 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.032 -4.844 5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.949 -5.056 6.830 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.298 -6.313 5.752 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.953 -4.376 3.759 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.184 -5.838 4.421 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.385 -4.257 4.593 1.00 0.00 H new ATOM 184 N LYS A 13 6.898 -7.405 7.437 1.00 0.00 N ATOM 185 CA LYS A 13 6.758 -8.892 7.310 1.00 0.00 C ATOM 186 C LYS A 13 5.743 -9.409 8.342 1.00 0.00 C ATOM 187 O LYS A 13 5.023 -10.356 8.093 1.00 0.00 O ATOM 188 CB LYS A 13 8.120 -9.541 7.559 1.00 0.00 C ATOM 189 CG LYS A 13 8.029 -11.091 7.435 1.00 0.00 C ATOM 190 CD LYS A 13 8.509 -11.771 8.728 1.00 0.00 C ATOM 191 CE LYS A 13 7.430 -11.647 9.806 1.00 0.00 C ATOM 192 NZ LYS A 13 7.845 -12.418 11.013 1.00 0.00 N ATOM 0 H LYS A 13 7.704 -7.094 7.979 1.00 0.00 H new ATOM 0 HA LYS A 13 6.406 -9.144 6.310 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.846 -9.157 6.843 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.479 -9.272 8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.000 -11.384 7.225 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.635 -11.429 6.594 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.728 -12.822 8.538 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.435 -11.309 9.071 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.278 -10.599 10.065 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.479 -12.024 9.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.291 -12.101 11.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.677 -13.432 10.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.857 -12.259 11.195 1.00 0.00 H new ATOM 206 N GLU A 14 5.665 -8.794 9.491 1.00 0.00 N ATOM 207 CA GLU A 14 4.676 -9.258 10.508 1.00 0.00 C ATOM 208 C GLU A 14 3.289 -8.766 10.090 1.00 0.00 C ATOM 209 O GLU A 14 2.385 -9.537 9.823 1.00 0.00 O ATOM 210 CB GLU A 14 5.041 -8.684 11.880 1.00 0.00 C ATOM 211 CG GLU A 14 4.166 -9.333 12.954 1.00 0.00 C ATOM 212 CD GLU A 14 4.601 -10.785 13.159 1.00 0.00 C ATOM 213 OE1 GLU A 14 5.797 -11.020 13.230 1.00 0.00 O ATOM 214 OE2 GLU A 14 3.732 -11.637 13.242 1.00 0.00 O ATOM 0 H GLU A 14 6.238 -7.997 9.769 1.00 0.00 H new ATOM 0 HA GLU A 14 4.682 -10.346 10.571 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.094 -8.867 12.094 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.898 -7.603 11.884 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.252 -8.781 13.890 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.118 -9.295 12.656 1.00 0.00 H new ATOM 221 N VAL A 15 3.119 -7.478 10.003 1.00 0.00 N ATOM 222 CA VAL A 15 1.806 -6.924 9.572 1.00 0.00 C ATOM 223 C VAL A 15 1.321 -7.722 8.366 1.00 0.00 C ATOM 224 O VAL A 15 0.158 -8.031 8.244 1.00 0.00 O ATOM 225 CB VAL A 15 1.967 -5.445 9.210 1.00 0.00 C ATOM 226 CG1 VAL A 15 2.747 -5.311 7.901 1.00 0.00 C ATOM 227 CG2 VAL A 15 0.584 -4.814 9.052 1.00 0.00 C ATOM 0 H VAL A 15 3.835 -6.782 10.212 1.00 0.00 H new ATOM 0 HA VAL A 15 1.076 -7.001 10.377 1.00 0.00 H new ATOM 0 HB VAL A 15 2.515 -4.935 10.002 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.858 -4.256 7.650 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.733 -5.762 8.017 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.207 -5.820 7.102 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.692 -3.760 8.794 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.038 -5.327 8.260 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.034 -4.904 9.989 1.00 0.00 H new ATOM 237 N THR A 16 2.224 -8.102 7.501 1.00 0.00 N ATOM 238 CA THR A 16 1.817 -8.924 6.335 1.00 0.00 C ATOM 239 C THR A 16 1.104 -10.166 6.877 1.00 0.00 C ATOM 240 O THR A 16 0.066 -10.551 6.394 1.00 0.00 O ATOM 241 CB THR A 16 3.063 -9.331 5.526 1.00 0.00 C ATOM 242 OG1 THR A 16 4.196 -9.083 6.310 1.00 0.00 O ATOM 243 CG2 THR A 16 3.142 -8.516 4.233 1.00 0.00 C ATOM 0 H THR A 16 3.218 -7.878 7.554 1.00 0.00 H new ATOM 0 HA THR A 16 1.154 -8.364 5.675 1.00 0.00 H new ATOM 0 HB THR A 16 3.007 -10.388 5.265 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.595 -8.227 6.047 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.027 -8.812 3.670 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.251 -8.699 3.632 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.205 -7.455 4.475 1.00 0.00 H new ATOM 251 N LYS A 17 1.657 -10.787 7.894 1.00 0.00 N ATOM 252 CA LYS A 17 1.003 -12.000 8.480 1.00 0.00 C ATOM 253 C LYS A 17 -0.497 -11.737 8.612 1.00 0.00 C ATOM 254 O LYS A 17 -1.313 -12.608 8.385 1.00 0.00 O ATOM 255 CB LYS A 17 1.594 -12.309 9.864 1.00 0.00 C ATOM 256 CG LYS A 17 3.084 -12.671 9.736 1.00 0.00 C ATOM 257 CD LYS A 17 3.241 -14.157 9.384 1.00 0.00 C ATOM 258 CE LYS A 17 4.726 -14.528 9.385 1.00 0.00 C ATOM 259 NZ LYS A 17 5.390 -13.915 8.200 1.00 0.00 N ATOM 0 H LYS A 17 2.530 -10.507 8.341 1.00 0.00 H new ATOM 0 HA LYS A 17 1.178 -12.855 7.827 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.477 -11.445 10.519 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.050 -13.134 10.324 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.550 -12.056 8.966 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.600 -12.455 10.672 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.701 -14.771 10.105 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.806 -14.358 8.405 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.199 -14.178 10.302 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.842 -15.612 9.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.419 -14.051 8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.039 -14.368 7.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.176 -12.898 8.170 1.00 0.00 H new ATOM 273 N LEU A 18 -0.866 -10.524 8.945 1.00 0.00 N ATOM 274 CA LEU A 18 -2.330 -10.187 9.055 1.00 0.00 C ATOM 275 C LEU A 18 -2.784 -9.593 7.719 1.00 0.00 C ATOM 276 O LEU A 18 -3.669 -10.106 7.067 1.00 0.00 O ATOM 277 CB LEU A 18 -2.599 -9.180 10.211 1.00 0.00 C ATOM 278 CG LEU A 18 -1.352 -9.003 11.075 1.00 0.00 C ATOM 279 CD1 LEU A 18 -1.588 -7.847 12.046 1.00 0.00 C ATOM 280 CD2 LEU A 18 -1.093 -10.300 11.857 1.00 0.00 C ATOM 0 H LEU A 18 -0.227 -9.755 9.145 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.891 -11.093 9.282 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.901 -8.217 9.798 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.426 -9.537 10.826 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.486 -8.783 10.450 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.705 -7.710 12.670 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.781 -6.933 11.484 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.447 -8.072 12.678 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.204 -10.180 12.476 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.951 -10.519 12.493 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.940 -11.122 11.158 1.00 0.00 H new ATOM 292 N ILE A 19 -2.168 -8.526 7.289 1.00 0.00 N ATOM 293 CA ILE A 19 -2.544 -7.913 5.990 1.00 0.00 C ATOM 294 C ILE A 19 -2.640 -9.033 4.942 1.00 0.00 C ATOM 295 O ILE A 19 -3.430 -8.977 4.022 1.00 0.00 O ATOM 296 CB ILE A 19 -1.440 -6.887 5.630 1.00 0.00 C ATOM 297 CG1 ILE A 19 -1.928 -5.450 5.856 1.00 0.00 C ATOM 298 CG2 ILE A 19 -0.970 -7.019 4.178 1.00 0.00 C ATOM 299 CD1 ILE A 19 -0.728 -4.485 5.890 1.00 0.00 C ATOM 0 H ILE A 19 -1.415 -8.051 7.788 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.506 -7.402 6.032 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.600 -7.105 6.289 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.615 -5.161 5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.481 -5.388 6.793 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.197 -6.278 3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.566 -8.018 4.016 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.813 -6.855 3.506 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.084 -3.467 6.051 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.057 -4.767 6.701 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.193 -4.537 4.942 1.00 0.00 H new ATOM 311 N ASP A 20 -1.831 -10.046 5.091 1.00 0.00 N ATOM 312 CA ASP A 20 -1.850 -11.176 4.127 1.00 0.00 C ATOM 313 C ASP A 20 -3.305 -11.606 3.882 1.00 0.00 C ATOM 314 O ASP A 20 -3.674 -11.978 2.786 1.00 0.00 O ATOM 315 CB ASP A 20 -1.054 -12.363 4.700 1.00 0.00 C ATOM 316 CG ASP A 20 0.441 -12.180 4.412 1.00 0.00 C ATOM 317 OD1 ASP A 20 0.842 -11.057 4.155 1.00 0.00 O ATOM 318 OD2 ASP A 20 1.157 -13.167 4.452 1.00 0.00 O ATOM 0 H ASP A 20 -1.153 -10.137 5.847 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.396 -10.860 3.188 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.219 -12.437 5.775 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.406 -13.295 4.258 1.00 0.00 H new ATOM 323 N ASN A 21 -4.139 -11.562 4.901 1.00 0.00 N ATOM 324 CA ASN A 21 -5.567 -11.972 4.717 1.00 0.00 C ATOM 325 C ASN A 21 -6.492 -11.161 5.621 1.00 0.00 C ATOM 326 O ASN A 21 -7.643 -11.506 5.805 1.00 0.00 O ATOM 327 CB ASN A 21 -5.731 -13.457 5.035 1.00 0.00 C ATOM 328 CG ASN A 21 -4.797 -14.279 4.145 1.00 0.00 C ATOM 329 OD1 ASN A 21 -5.223 -14.849 3.160 1.00 0.00 O ATOM 330 ND2 ASN A 21 -3.532 -14.365 4.451 1.00 0.00 N ATOM 0 H ASN A 21 -3.891 -11.262 5.844 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.838 -11.784 3.678 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.505 -13.641 6.085 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.765 -13.762 4.874 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.901 -14.910 3.864 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.174 -13.887 5.278 1.00 0.00 H new ATOM 337 N ASN A 22 -6.015 -10.080 6.169 1.00 0.00 N ATOM 338 CA ASN A 22 -6.880 -9.233 7.045 1.00 0.00 C ATOM 339 C ASN A 22 -7.344 -8.029 6.231 1.00 0.00 C ATOM 340 O ASN A 22 -8.522 -7.793 6.055 1.00 0.00 O ATOM 341 CB ASN A 22 -6.070 -8.767 8.251 1.00 0.00 C ATOM 342 CG ASN A 22 -5.638 -9.983 9.076 1.00 0.00 C ATOM 343 OD1 ASN A 22 -5.644 -9.936 10.290 1.00 0.00 O ATOM 344 ND2 ASN A 22 -5.268 -11.083 8.470 1.00 0.00 N ATOM 0 H ASN A 22 -5.060 -9.743 6.049 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.743 -9.798 7.398 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.194 -8.208 7.921 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.666 -8.091 8.864 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.986 -11.897 9.017 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.262 -11.126 7.451 1.00 0.00 H new ATOM 351 N LYS A 23 -6.414 -7.277 5.719 1.00 0.00 N ATOM 352 CA LYS A 23 -6.757 -6.097 4.899 1.00 0.00 C ATOM 353 C LYS A 23 -7.135 -6.580 3.488 1.00 0.00 C ATOM 354 O LYS A 23 -6.282 -6.844 2.665 1.00 0.00 O ATOM 355 CB LYS A 23 -5.510 -5.183 4.852 1.00 0.00 C ATOM 356 CG LYS A 23 -5.900 -3.713 5.070 1.00 0.00 C ATOM 357 CD LYS A 23 -6.784 -3.199 3.904 1.00 0.00 C ATOM 358 CE LYS A 23 -5.953 -2.381 2.894 1.00 0.00 C ATOM 359 NZ LYS A 23 -5.915 -0.955 3.325 1.00 0.00 N ATOM 0 H LYS A 23 -5.414 -7.437 5.839 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.598 -5.543 5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.798 -5.492 5.618 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.010 -5.292 3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.438 -3.611 6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.001 -3.101 5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.249 -4.044 3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.590 -2.582 4.300 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.941 -2.780 2.831 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.390 -2.460 1.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.022 -0.338 2.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.691 -0.774 3.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.005 -0.757 3.788 1.00 0.00 H new ATOM 373 N THR A 24 -8.407 -6.701 3.208 1.00 0.00 N ATOM 374 CA THR A 24 -8.840 -7.171 1.855 1.00 0.00 C ATOM 375 C THR A 24 -9.167 -5.966 0.967 1.00 0.00 C ATOM 376 O THR A 24 -8.996 -4.829 1.359 1.00 0.00 O ATOM 377 CB THR A 24 -10.073 -8.061 2.005 1.00 0.00 C ATOM 378 OG1 THR A 24 -11.047 -7.393 2.796 1.00 0.00 O ATOM 379 CG2 THR A 24 -9.666 -9.371 2.684 1.00 0.00 C ATOM 0 H THR A 24 -9.166 -6.495 3.857 1.00 0.00 H new ATOM 0 HA THR A 24 -8.036 -7.741 1.390 1.00 0.00 H new ATOM 0 HB THR A 24 -10.495 -8.275 1.023 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.473 -8.035 3.401 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.541 -10.011 2.794 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.919 -9.880 2.075 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.247 -9.156 3.667 1.00 0.00 H new ATOM 387 N GLU A 25 -9.619 -6.209 -0.239 1.00 0.00 N ATOM 388 CA GLU A 25 -9.940 -5.085 -1.179 1.00 0.00 C ATOM 389 C GLU A 25 -11.451 -4.845 -1.241 1.00 0.00 C ATOM 390 O GLU A 25 -11.934 -4.129 -2.096 1.00 0.00 O ATOM 391 CB GLU A 25 -9.445 -5.446 -2.581 1.00 0.00 C ATOM 392 CG GLU A 25 -8.007 -5.972 -2.504 1.00 0.00 C ATOM 393 CD GLU A 25 -8.012 -7.418 -2.002 1.00 0.00 C ATOM 394 OE1 GLU A 25 -8.537 -8.266 -2.705 1.00 0.00 O ATOM 395 OE2 GLU A 25 -7.491 -7.652 -0.924 1.00 0.00 O ATOM 0 H GLU A 25 -9.781 -7.143 -0.617 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.450 -4.181 -0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.095 -6.201 -3.023 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.488 -4.570 -3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.537 -5.920 -3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.416 -5.347 -1.835 1.00 0.00 H new ATOM 402 N LYS A 26 -12.207 -5.425 -0.350 1.00 0.00 N ATOM 403 CA LYS A 26 -13.680 -5.212 -0.378 1.00 0.00 C ATOM 404 C LYS A 26 -13.999 -3.941 0.398 1.00 0.00 C ATOM 405 O LYS A 26 -14.775 -3.109 -0.034 1.00 0.00 O ATOM 406 CB LYS A 26 -14.380 -6.404 0.283 1.00 0.00 C ATOM 407 CG LYS A 26 -14.160 -7.666 -0.563 1.00 0.00 C ATOM 408 CD LYS A 26 -14.443 -8.926 0.278 1.00 0.00 C ATOM 409 CE LYS A 26 -13.186 -9.341 1.052 1.00 0.00 C ATOM 410 NZ LYS A 26 -13.456 -10.606 1.794 1.00 0.00 N ATOM 0 H LYS A 26 -11.869 -6.035 0.394 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.027 -5.119 -1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -13.989 -6.556 1.289 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.447 -6.202 0.383 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -14.814 -7.647 -1.435 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.135 -7.690 -0.934 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.259 -8.732 0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -14.764 -9.740 -0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.352 -9.481 0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.897 -8.553 1.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.604 -10.889 2.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.240 -10.457 2.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.712 -11.356 1.120 1.00 0.00 H new ATOM 424 N GLU A 27 -13.395 -3.784 1.539 1.00 0.00 N ATOM 425 CA GLU A 27 -13.651 -2.572 2.351 1.00 0.00 C ATOM 426 C GLU A 27 -12.986 -1.366 1.688 1.00 0.00 C ATOM 427 O GLU A 27 -13.309 -0.230 1.975 1.00 0.00 O ATOM 428 CB GLU A 27 -13.071 -2.767 3.754 1.00 0.00 C ATOM 429 CG GLU A 27 -13.789 -3.925 4.450 1.00 0.00 C ATOM 430 CD GLU A 27 -15.243 -3.535 4.719 1.00 0.00 C ATOM 431 OE1 GLU A 27 -15.455 -2.543 5.398 1.00 0.00 O ATOM 432 OE2 GLU A 27 -16.122 -4.236 4.244 1.00 0.00 O ATOM 0 H GLU A 27 -12.733 -4.446 1.944 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.725 -2.401 2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.003 -2.973 3.691 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.185 -1.853 4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.750 -4.818 3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.287 -4.168 5.387 1.00 0.00 H new ATOM 439 N ILE A 28 -12.042 -1.603 0.818 1.00 0.00 N ATOM 440 CA ILE A 28 -11.336 -0.484 0.151 1.00 0.00 C ATOM 441 C ILE A 28 -12.133 0.018 -1.046 1.00 0.00 C ATOM 442 O ILE A 28 -12.680 1.103 -1.022 1.00 0.00 O ATOM 443 CB ILE A 28 -9.977 -0.983 -0.343 1.00 0.00 C ATOM 444 CG1 ILE A 28 -9.183 -1.624 0.814 1.00 0.00 C ATOM 445 CG2 ILE A 28 -9.197 0.182 -0.948 1.00 0.00 C ATOM 446 CD1 ILE A 28 -8.573 -0.548 1.716 1.00 0.00 C ATOM 0 H ILE A 28 -11.731 -2.534 0.542 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.215 0.331 0.865 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.132 -1.744 -1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.840 -2.266 1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.393 -2.258 0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.228 -0.173 -1.300 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.757 0.599 -1.785 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.048 0.952 -0.191 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.018 -1.023 2.525 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.898 0.077 1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.368 0.069 2.135 1.00 0.00 H new ATOM 458 N LEU A 29 -12.182 -0.745 -2.103 1.00 0.00 N ATOM 459 CA LEU A 29 -12.923 -0.289 -3.310 1.00 0.00 C ATOM 460 C LEU A 29 -14.280 0.280 -2.896 1.00 0.00 C ATOM 461 O LEU A 29 -14.794 1.197 -3.509 1.00 0.00 O ATOM 462 CB LEU A 29 -13.112 -1.462 -4.274 1.00 0.00 C ATOM 463 CG LEU A 29 -11.740 -2.037 -4.663 1.00 0.00 C ATOM 464 CD1 LEU A 29 -11.927 -3.428 -5.270 1.00 0.00 C ATOM 465 CD2 LEU A 29 -11.045 -1.121 -5.687 1.00 0.00 C ATOM 0 H LEU A 29 -11.742 -1.662 -2.182 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.352 0.491 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.722 -2.235 -3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.645 -1.131 -5.165 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.118 -2.102 -3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -10.956 -3.838 -5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -12.402 -4.083 -4.540 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.556 -3.356 -6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.075 -1.542 -5.952 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.663 -1.041 -6.582 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.905 -0.131 -5.253 1.00 0.00 H new ATOM 477 N ASP A 30 -14.853 -0.228 -1.840 1.00 0.00 N ATOM 478 CA ASP A 30 -16.154 0.321 -1.381 1.00 0.00 C ATOM 479 C ASP A 30 -15.895 1.716 -0.818 1.00 0.00 C ATOM 480 O ASP A 30 -16.524 2.689 -1.196 1.00 0.00 O ATOM 481 CB ASP A 30 -16.738 -0.577 -0.289 1.00 0.00 C ATOM 482 CG ASP A 30 -18.120 -0.060 0.116 1.00 0.00 C ATOM 483 OD1 ASP A 30 -18.637 0.796 -0.583 1.00 0.00 O ATOM 484 OD2 ASP A 30 -18.637 -0.529 1.117 1.00 0.00 O ATOM 0 H ASP A 30 -14.478 -0.994 -1.280 1.00 0.00 H new ATOM 0 HA ASP A 30 -16.863 0.367 -2.207 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -16.814 -1.603 -0.650 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -16.076 -0.591 0.577 1.00 0.00 H new ATOM 489 N ALA A 31 -14.945 1.821 0.074 1.00 0.00 N ATOM 490 CA ALA A 31 -14.608 3.146 0.661 1.00 0.00 C ATOM 491 C ALA A 31 -14.524 4.182 -0.455 1.00 0.00 C ATOM 492 O ALA A 31 -15.147 5.220 -0.390 1.00 0.00 O ATOM 493 CB ALA A 31 -13.269 3.054 1.382 1.00 0.00 C ATOM 0 H ALA A 31 -14.387 1.041 0.421 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.379 3.442 1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.020 4.024 1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.334 2.310 2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.494 2.762 0.674 1.00 0.00 H new ATOM 499 N PHE A 32 -13.774 3.910 -1.488 1.00 0.00 N ATOM 500 CA PHE A 32 -13.685 4.894 -2.603 1.00 0.00 C ATOM 501 C PHE A 32 -15.106 5.240 -3.051 1.00 0.00 C ATOM 502 O PHE A 32 -15.395 6.357 -3.428 1.00 0.00 O ATOM 503 CB PHE A 32 -12.897 4.289 -3.775 1.00 0.00 C ATOM 504 CG PHE A 32 -11.411 4.389 -3.503 1.00 0.00 C ATOM 505 CD1 PHE A 32 -10.722 5.572 -3.805 1.00 0.00 C ATOM 506 CD2 PHE A 32 -10.723 3.299 -2.956 1.00 0.00 C ATOM 507 CE1 PHE A 32 -9.347 5.663 -3.560 1.00 0.00 C ATOM 508 CE2 PHE A 32 -9.347 3.393 -2.711 1.00 0.00 C ATOM 509 CZ PHE A 32 -8.660 4.574 -3.014 1.00 0.00 C ATOM 0 H PHE A 32 -13.225 3.059 -1.608 1.00 0.00 H new ATOM 0 HA PHE A 32 -13.168 5.794 -2.269 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.180 3.246 -3.915 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.143 4.813 -4.699 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.252 6.413 -4.227 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.253 2.387 -2.723 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.816 6.574 -3.793 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.816 2.553 -2.288 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.599 4.644 -2.826 1.00 0.00 H new ATOM 519 N ASP A 33 -16.004 4.293 -2.993 1.00 0.00 N ATOM 520 CA ASP A 33 -17.405 4.587 -3.395 1.00 0.00 C ATOM 521 C ASP A 33 -18.034 5.480 -2.326 1.00 0.00 C ATOM 522 O ASP A 33 -19.153 5.932 -2.460 1.00 0.00 O ATOM 523 CB ASP A 33 -18.197 3.282 -3.518 1.00 0.00 C ATOM 524 CG ASP A 33 -19.489 3.539 -4.295 1.00 0.00 C ATOM 525 OD1 ASP A 33 -20.399 4.112 -3.718 1.00 0.00 O ATOM 526 OD2 ASP A 33 -19.547 3.159 -5.453 1.00 0.00 O ATOM 0 H ASP A 33 -15.828 3.336 -2.687 1.00 0.00 H new ATOM 0 HA ASP A 33 -17.420 5.092 -4.361 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.598 2.528 -4.028 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.428 2.890 -2.528 1.00 0.00 H new ATOM 531 N LYS A 34 -17.310 5.726 -1.261 1.00 0.00 N ATOM 532 CA LYS A 34 -17.830 6.593 -0.152 1.00 0.00 C ATOM 533 C LYS A 34 -17.074 7.929 -0.125 1.00 0.00 C ATOM 534 O LYS A 34 -17.641 8.978 -0.360 1.00 0.00 O ATOM 535 CB LYS A 34 -17.615 5.890 1.193 1.00 0.00 C ATOM 536 CG LYS A 34 -18.217 4.482 1.147 1.00 0.00 C ATOM 537 CD LYS A 34 -17.927 3.744 2.474 1.00 0.00 C ATOM 538 CE LYS A 34 -17.837 2.231 2.240 1.00 0.00 C ATOM 539 NZ LYS A 34 -19.187 1.698 1.904 1.00 0.00 N ATOM 0 H LYS A 34 -16.370 5.360 -1.109 1.00 0.00 H new ATOM 0 HA LYS A 34 -18.892 6.773 -0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -16.550 5.832 1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -18.078 6.467 1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -19.293 4.542 0.981 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.796 3.924 0.311 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.993 4.108 2.902 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -18.714 3.960 3.196 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.139 2.019 1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.451 1.737 3.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -19.229 0.686 2.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.908 2.211 2.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -19.367 1.825 0.888 1.00 0.00 H new ATOM 553 N MET A 35 -15.801 7.903 0.176 1.00 0.00 N ATOM 554 CA MET A 35 -15.021 9.180 0.233 1.00 0.00 C ATOM 555 C MET A 35 -14.942 9.771 -1.170 1.00 0.00 C ATOM 556 O MET A 35 -15.201 10.936 -1.385 1.00 0.00 O ATOM 557 CB MET A 35 -13.582 8.947 0.746 1.00 0.00 C ATOM 558 CG MET A 35 -13.539 7.914 1.887 1.00 0.00 C ATOM 559 SD MET A 35 -11.920 7.097 1.884 1.00 0.00 S ATOM 560 CE MET A 35 -12.100 6.215 0.308 1.00 0.00 C ATOM 0 H MET A 35 -15.268 7.058 0.384 1.00 0.00 H new ATOM 0 HA MET A 35 -15.528 9.856 0.921 1.00 0.00 H new ATOM 0 HB2 MET A 35 -12.954 8.605 -0.077 1.00 0.00 H new ATOM 0 HB3 MET A 35 -13.164 9.891 1.095 1.00 0.00 H new ATOM 0 HG2 MET A 35 -13.711 8.404 2.845 1.00 0.00 H new ATOM 0 HG3 MET A 35 -14.332 7.178 1.758 1.00 0.00 H new ATOM 0 HE1 MET A 35 -11.860 5.161 0.451 1.00 0.00 H new ATOM 0 HE2 MET A 35 -13.127 6.308 -0.046 1.00 0.00 H new ATOM 0 HE3 MET A 35 -11.422 6.645 -0.429 1.00 0.00 H new ATOM 570 N CYS A 36 -14.578 8.967 -2.129 1.00 0.00 N ATOM 571 CA CYS A 36 -14.476 9.473 -3.519 1.00 0.00 C ATOM 572 C CYS A 36 -15.898 9.635 -4.076 1.00 0.00 C ATOM 573 O CYS A 36 -16.106 9.754 -5.267 1.00 0.00 O ATOM 574 CB CYS A 36 -13.644 8.469 -4.352 1.00 0.00 C ATOM 575 SG CYS A 36 -12.070 9.228 -4.847 1.00 0.00 S ATOM 0 H CYS A 36 -14.347 7.981 -2.007 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.976 10.441 -3.559 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -13.455 7.568 -3.768 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -14.204 8.165 -5.236 1.00 0.00 H new ATOM 580 N SER A 37 -16.873 9.652 -3.202 1.00 0.00 N ATOM 581 CA SER A 37 -18.288 9.820 -3.638 1.00 0.00 C ATOM 582 C SER A 37 -18.632 11.312 -3.645 1.00 0.00 C ATOM 583 O SER A 37 -19.123 11.849 -4.618 1.00 0.00 O ATOM 584 CB SER A 37 -19.208 9.082 -2.657 1.00 0.00 C ATOM 585 OG SER A 37 -20.404 8.705 -3.327 1.00 0.00 O ATOM 0 H SER A 37 -16.745 9.555 -2.195 1.00 0.00 H new ATOM 0 HA SER A 37 -18.423 9.409 -4.639 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.705 8.199 -2.263 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.441 9.723 -1.807 1.00 0.00 H new ATOM 0 HG SER A 37 -20.993 8.232 -2.703 1.00 0.00 H new ATOM 591 N LYS A 38 -18.369 11.983 -2.555 1.00 0.00 N ATOM 592 CA LYS A 38 -18.669 13.440 -2.475 1.00 0.00 C ATOM 593 C LYS A 38 -17.741 14.203 -3.423 1.00 0.00 C ATOM 594 O LYS A 38 -18.054 15.290 -3.868 1.00 0.00 O ATOM 595 CB LYS A 38 -18.444 13.927 -1.039 1.00 0.00 C ATOM 596 CG LYS A 38 -17.006 13.613 -0.606 1.00 0.00 C ATOM 597 CD LYS A 38 -16.892 13.707 0.917 1.00 0.00 C ATOM 598 CE LYS A 38 -15.417 13.652 1.322 1.00 0.00 C ATOM 599 NZ LYS A 38 -14.706 14.840 0.770 1.00 0.00 N ATOM 0 H LYS A 38 -17.957 11.581 -1.713 1.00 0.00 H new ATOM 0 HA LYS A 38 -19.706 13.616 -2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.627 15.000 -0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -19.151 13.443 -0.365 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.726 12.614 -0.940 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -16.314 14.312 -1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.343 14.635 1.270 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.439 12.889 1.385 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.327 13.633 2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.960 12.735 0.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.107 15.260 1.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.112 14.547 -0.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.402 15.542 0.448 1.00 0.00 H new ATOM 613 N LEU A 39 -16.598 13.643 -3.726 1.00 0.00 N ATOM 614 CA LEU A 39 -15.633 14.333 -4.644 1.00 0.00 C ATOM 615 C LEU A 39 -16.414 14.927 -5.846 1.00 0.00 C ATOM 616 O LEU A 39 -17.330 14.290 -6.329 1.00 0.00 O ATOM 617 CB LEU A 39 -14.592 13.291 -5.176 1.00 0.00 C ATOM 618 CG LEU A 39 -13.115 13.707 -4.866 1.00 0.00 C ATOM 619 CD1 LEU A 39 -12.524 12.804 -3.775 1.00 0.00 C ATOM 620 CD2 LEU A 39 -12.264 13.574 -6.137 1.00 0.00 C ATOM 0 H LEU A 39 -16.288 12.736 -3.378 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.117 15.128 -4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.794 12.319 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.715 13.176 -6.253 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.110 14.741 -4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.497 13.105 -3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.117 12.896 -2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.538 11.768 -4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.236 13.864 -5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.284 12.540 -6.482 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.667 14.223 -6.914 1.00 0.00 H new ATOM 632 N PRO A 40 -16.033 16.099 -6.331 1.00 0.00 N ATOM 633 CA PRO A 40 -16.717 16.680 -7.496 1.00 0.00 C ATOM 634 C PRO A 40 -16.753 15.637 -8.620 1.00 0.00 C ATOM 635 O PRO A 40 -15.755 15.017 -8.929 1.00 0.00 O ATOM 636 CB PRO A 40 -15.867 17.912 -7.883 1.00 0.00 C ATOM 637 CG PRO A 40 -14.809 18.117 -6.762 1.00 0.00 C ATOM 638 CD PRO A 40 -14.932 16.925 -5.789 1.00 0.00 C ATOM 0 HA PRO A 40 -17.749 16.970 -7.297 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -15.381 17.756 -8.846 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -16.496 18.796 -7.983 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -13.806 18.165 -7.185 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.980 19.058 -6.240 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.002 16.359 -5.739 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.154 17.263 -4.777 1.00 0.00 H new ATOM 646 N LYS A 41 -17.898 15.435 -9.219 1.00 0.00 N ATOM 647 CA LYS A 41 -18.027 14.427 -10.312 1.00 0.00 C ATOM 648 C LYS A 41 -16.792 14.425 -11.212 1.00 0.00 C ATOM 649 O LYS A 41 -16.286 13.389 -11.594 1.00 0.00 O ATOM 650 CB LYS A 41 -19.246 14.777 -11.152 1.00 0.00 C ATOM 651 CG LYS A 41 -19.503 13.672 -12.171 1.00 0.00 C ATOM 652 CD LYS A 41 -20.831 13.949 -12.906 1.00 0.00 C ATOM 653 CE LYS A 41 -20.747 13.428 -14.341 1.00 0.00 C ATOM 654 NZ LYS A 41 -22.059 13.624 -15.022 1.00 0.00 N ATOM 0 H LYS A 41 -18.760 15.932 -8.994 1.00 0.00 H new ATOM 0 HA LYS A 41 -18.129 13.438 -9.865 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.118 14.903 -10.510 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -19.087 15.726 -11.663 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -18.682 13.624 -12.886 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.547 12.704 -11.671 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.655 13.466 -12.382 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -21.039 15.019 -12.909 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -19.962 13.954 -14.884 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -20.481 12.371 -14.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -22.000 13.269 -15.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.798 13.103 -14.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -22.295 14.637 -15.036 1.00 0.00 H new ATOM 668 N SER A 42 -16.314 15.578 -11.555 1.00 0.00 N ATOM 669 CA SER A 42 -15.118 15.663 -12.439 1.00 0.00 C ATOM 670 C SER A 42 -13.951 14.898 -11.821 1.00 0.00 C ATOM 671 O SER A 42 -13.434 13.954 -12.388 1.00 0.00 O ATOM 672 CB SER A 42 -14.711 17.127 -12.578 1.00 0.00 C ATOM 673 OG SER A 42 -15.808 17.877 -13.080 1.00 0.00 O ATOM 0 H SER A 42 -16.699 16.476 -11.262 1.00 0.00 H new ATOM 0 HA SER A 42 -15.363 15.233 -13.410 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.398 17.522 -11.611 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.858 17.216 -13.250 1.00 0.00 H new ATOM 0 HG SER A 42 -15.548 18.818 -13.168 1.00 0.00 H new ATOM 679 N LEU A 43 -13.523 15.316 -10.668 1.00 0.00 N ATOM 680 CA LEU A 43 -12.375 14.644 -10.007 1.00 0.00 C ATOM 681 C LEU A 43 -12.836 13.348 -9.337 1.00 0.00 C ATOM 682 O LEU A 43 -12.038 12.609 -8.798 1.00 0.00 O ATOM 683 CB LEU A 43 -11.784 15.593 -8.961 1.00 0.00 C ATOM 684 CG LEU A 43 -11.046 16.757 -9.654 1.00 0.00 C ATOM 685 CD1 LEU A 43 -10.985 17.965 -8.715 1.00 0.00 C ATOM 686 CD2 LEU A 43 -9.612 16.340 -10.019 1.00 0.00 C ATOM 0 H LEU A 43 -13.921 16.100 -10.151 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.618 14.396 -10.751 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.578 15.984 -8.324 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.095 15.050 -8.314 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.590 17.018 -10.562 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.463 18.784 -9.209 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.997 18.280 -8.462 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -10.452 17.692 -7.805 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.104 17.172 -10.507 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.071 16.066 -9.113 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.643 15.486 -10.696 1.00 0.00 H new ATOM 698 N SER A 44 -14.108 13.041 -9.385 1.00 0.00 N ATOM 699 CA SER A 44 -14.585 11.774 -8.771 1.00 0.00 C ATOM 700 C SER A 44 -14.432 10.705 -9.830 1.00 0.00 C ATOM 701 O SER A 44 -14.235 9.539 -9.548 1.00 0.00 O ATOM 702 CB SER A 44 -16.058 11.895 -8.369 1.00 0.00 C ATOM 703 OG SER A 44 -16.878 11.544 -9.477 1.00 0.00 O ATOM 0 H SER A 44 -14.831 13.613 -9.822 1.00 0.00 H new ATOM 0 HA SER A 44 -14.015 11.537 -7.873 1.00 0.00 H new ATOM 0 HB2 SER A 44 -16.271 11.242 -7.523 1.00 0.00 H new ATOM 0 HB3 SER A 44 -16.277 12.913 -8.048 1.00 0.00 H new ATOM 0 HG SER A 44 -16.646 12.105 -10.246 1.00 0.00 H new ATOM 709 N GLU A 45 -14.501 11.118 -11.064 1.00 0.00 N ATOM 710 CA GLU A 45 -14.338 10.163 -12.174 1.00 0.00 C ATOM 711 C GLU A 45 -12.845 9.919 -12.365 1.00 0.00 C ATOM 712 O GLU A 45 -12.421 8.872 -12.810 1.00 0.00 O ATOM 713 CB GLU A 45 -14.936 10.751 -13.455 1.00 0.00 C ATOM 714 CG GLU A 45 -16.463 10.734 -13.359 1.00 0.00 C ATOM 715 CD GLU A 45 -17.059 11.450 -14.573 1.00 0.00 C ATOM 716 OE1 GLU A 45 -17.127 12.667 -14.543 1.00 0.00 O ATOM 717 OE2 GLU A 45 -17.437 10.769 -15.511 1.00 0.00 O ATOM 0 H GLU A 45 -14.665 12.085 -11.345 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.851 9.227 -11.950 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.581 11.771 -13.600 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.609 10.174 -14.320 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.824 9.706 -13.316 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.786 11.224 -12.440 1.00 0.00 H new ATOM 724 N GLU A 46 -12.043 10.894 -12.020 1.00 0.00 N ATOM 725 CA GLU A 46 -10.569 10.745 -12.168 1.00 0.00 C ATOM 726 C GLU A 46 -9.994 10.009 -10.951 1.00 0.00 C ATOM 727 O GLU A 46 -9.011 9.304 -11.054 1.00 0.00 O ATOM 728 CB GLU A 46 -9.925 12.128 -12.275 1.00 0.00 C ATOM 729 CG GLU A 46 -10.465 12.849 -13.512 1.00 0.00 C ATOM 730 CD GLU A 46 -9.758 14.197 -13.667 1.00 0.00 C ATOM 731 OE1 GLU A 46 -10.196 15.148 -13.041 1.00 0.00 O ATOM 732 OE2 GLU A 46 -8.791 14.256 -14.409 1.00 0.00 O ATOM 0 H GLU A 46 -12.350 11.790 -11.641 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.356 10.170 -13.069 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.139 12.711 -11.379 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.841 12.032 -12.341 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.305 12.238 -14.401 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.540 12.999 -13.418 1.00 0.00 H new ATOM 739 N CYS A 47 -10.594 10.167 -9.797 1.00 0.00 N ATOM 740 CA CYS A 47 -10.061 9.471 -8.588 1.00 0.00 C ATOM 741 C CYS A 47 -10.479 7.998 -8.626 1.00 0.00 C ATOM 742 O CYS A 47 -9.838 7.143 -8.053 1.00 0.00 O ATOM 743 CB CYS A 47 -10.591 10.152 -7.313 1.00 0.00 C ATOM 744 SG CYS A 47 -12.218 9.494 -6.846 1.00 0.00 S ATOM 0 H CYS A 47 -11.422 10.742 -9.641 1.00 0.00 H new ATOM 0 HA CYS A 47 -8.973 9.531 -8.581 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.886 10.000 -6.496 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.663 11.227 -7.475 1.00 0.00 H new ATOM 749 N GLN A 48 -11.537 7.695 -9.325 1.00 0.00 N ATOM 750 CA GLN A 48 -11.984 6.283 -9.433 1.00 0.00 C ATOM 751 C GLN A 48 -11.294 5.699 -10.653 1.00 0.00 C ATOM 752 O GLN A 48 -11.182 4.500 -10.817 1.00 0.00 O ATOM 753 CB GLN A 48 -13.507 6.237 -9.612 1.00 0.00 C ATOM 754 CG GLN A 48 -14.191 6.340 -8.246 1.00 0.00 C ATOM 755 CD GLN A 48 -14.080 5.001 -7.513 1.00 0.00 C ATOM 756 OE1 GLN A 48 -13.346 4.127 -7.930 1.00 0.00 O ATOM 757 NE2 GLN A 48 -14.782 4.802 -6.432 1.00 0.00 N ATOM 0 H GLN A 48 -12.113 8.370 -9.828 1.00 0.00 H new ATOM 0 HA GLN A 48 -11.733 5.716 -8.537 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.832 7.055 -10.255 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -13.797 5.309 -10.106 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -13.727 7.129 -7.654 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -15.239 6.611 -8.373 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -15.398 5.536 -6.082 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -14.715 3.913 -5.937 1.00 0.00 H new ATOM 766 N GLU A 49 -10.809 6.558 -11.506 1.00 0.00 N ATOM 767 CA GLU A 49 -10.103 6.084 -12.713 1.00 0.00 C ATOM 768 C GLU A 49 -8.732 5.562 -12.296 1.00 0.00 C ATOM 769 O GLU A 49 -8.288 4.523 -12.744 1.00 0.00 O ATOM 770 CB GLU A 49 -9.934 7.239 -13.701 1.00 0.00 C ATOM 771 CG GLU A 49 -9.105 6.767 -14.895 1.00 0.00 C ATOM 772 CD GLU A 49 -9.169 7.814 -16.009 1.00 0.00 C ATOM 773 OE1 GLU A 49 -10.267 8.235 -16.337 1.00 0.00 O ATOM 774 OE2 GLU A 49 -8.121 8.177 -16.516 1.00 0.00 O ATOM 0 H GLU A 49 -10.875 7.572 -11.412 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.677 5.291 -13.193 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.909 7.590 -14.037 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.443 8.081 -13.213 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.070 6.606 -14.592 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.483 5.811 -15.258 1.00 0.00 H new ATOM 781 N VAL A 50 -8.053 6.274 -11.432 1.00 0.00 N ATOM 782 CA VAL A 50 -6.716 5.799 -10.996 1.00 0.00 C ATOM 783 C VAL A 50 -6.890 4.558 -10.122 1.00 0.00 C ATOM 784 O VAL A 50 -6.166 3.603 -10.257 1.00 0.00 O ATOM 785 CB VAL A 50 -5.974 6.886 -10.210 1.00 0.00 C ATOM 786 CG1 VAL A 50 -6.619 7.063 -8.833 1.00 0.00 C ATOM 787 CG2 VAL A 50 -4.499 6.467 -10.042 1.00 0.00 C ATOM 0 H VAL A 50 -8.366 7.152 -11.017 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.124 5.557 -11.879 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.030 7.831 -10.751 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.087 7.837 -8.279 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.662 7.355 -8.955 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.567 6.123 -8.284 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.964 7.235 -9.484 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.448 5.523 -9.500 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.041 6.347 -11.024 1.00 0.00 H new ATOM 797 N VAL A 51 -7.860 4.560 -9.237 1.00 0.00 N ATOM 798 CA VAL A 51 -8.094 3.358 -8.368 1.00 0.00 C ATOM 799 C VAL A 51 -8.052 2.116 -9.257 1.00 0.00 C ATOM 800 O VAL A 51 -7.321 1.181 -8.999 1.00 0.00 O ATOM 801 CB VAL A 51 -9.473 3.502 -7.705 1.00 0.00 C ATOM 802 CG1 VAL A 51 -9.896 2.180 -7.057 1.00 0.00 C ATOM 803 CG2 VAL A 51 -9.421 4.607 -6.636 1.00 0.00 C ATOM 0 H VAL A 51 -8.499 5.339 -9.078 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.334 3.271 -7.592 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.203 3.768 -8.470 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.875 2.299 -6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.949 1.402 -7.819 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.166 1.897 -6.299 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.400 4.707 -6.168 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.682 4.346 -5.879 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.144 5.552 -7.103 1.00 0.00 H new ATOM 813 N ASP A 52 -8.794 2.117 -10.330 1.00 0.00 N ATOM 814 CA ASP A 52 -8.745 0.952 -11.253 1.00 0.00 C ATOM 815 C ASP A 52 -7.280 0.733 -11.632 1.00 0.00 C ATOM 816 O ASP A 52 -6.816 -0.382 -11.764 1.00 0.00 O ATOM 817 CB ASP A 52 -9.568 1.248 -12.508 1.00 0.00 C ATOM 818 CG ASP A 52 -9.641 -0.006 -13.380 1.00 0.00 C ATOM 819 OD1 ASP A 52 -8.762 -0.178 -14.210 1.00 0.00 O ATOM 820 OD2 ASP A 52 -10.573 -0.773 -13.204 1.00 0.00 O ATOM 0 H ASP A 52 -9.427 2.868 -10.605 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.158 0.063 -10.776 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.572 1.569 -12.230 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.115 2.067 -13.067 1.00 0.00 H new ATOM 825 N THR A 53 -6.539 1.807 -11.775 1.00 0.00 N ATOM 826 CA THR A 53 -5.091 1.684 -12.107 1.00 0.00 C ATOM 827 C THR A 53 -4.315 1.382 -10.824 1.00 0.00 C ATOM 828 O THR A 53 -3.243 0.811 -10.854 1.00 0.00 O ATOM 829 CB THR A 53 -4.592 2.961 -12.792 1.00 0.00 C ATOM 830 OG1 THR A 53 -5.329 3.159 -13.991 1.00 0.00 O ATOM 831 CG2 THR A 53 -3.104 2.823 -13.134 1.00 0.00 C ATOM 0 H THR A 53 -6.879 2.763 -11.675 1.00 0.00 H new ATOM 0 HA THR A 53 -4.933 0.865 -12.808 1.00 0.00 H new ATOM 0 HB THR A 53 -4.729 3.809 -12.121 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.018 3.975 -14.435 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.756 3.734 -13.621 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.534 2.660 -12.219 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.962 1.976 -13.806 1.00 0.00 H new ATOM 839 N TYR A 54 -4.872 1.735 -9.695 1.00 0.00 N ATOM 840 CA TYR A 54 -4.211 1.456 -8.385 1.00 0.00 C ATOM 841 C TYR A 54 -5.234 0.815 -7.463 1.00 0.00 C ATOM 842 O TYR A 54 -5.771 1.448 -6.574 1.00 0.00 O ATOM 843 CB TYR A 54 -3.719 2.745 -7.749 1.00 0.00 C ATOM 844 CG TYR A 54 -2.562 3.272 -8.548 1.00 0.00 C ATOM 845 CD1 TYR A 54 -2.803 3.812 -9.800 1.00 0.00 C ATOM 846 CD2 TYR A 54 -1.266 3.240 -8.032 1.00 0.00 C ATOM 847 CE1 TYR A 54 -1.757 4.335 -10.558 1.00 0.00 C ATOM 848 CE2 TYR A 54 -0.204 3.753 -8.785 1.00 0.00 C ATOM 849 CZ TYR A 54 -0.450 4.306 -10.051 1.00 0.00 C ATOM 850 OH TYR A 54 0.592 4.823 -10.796 1.00 0.00 O ATOM 0 H TYR A 54 -5.771 2.212 -9.624 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.358 0.796 -8.545 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.522 3.481 -7.719 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.414 2.564 -6.718 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.809 3.828 -10.192 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.083 2.820 -7.054 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.952 4.761 -11.531 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.802 3.723 -8.393 1.00 0.00 H new ATOM 0 HH TYR A 54 1.430 4.725 -10.298 1.00 0.00 H new ATOM 860 N GLY A 55 -5.519 -0.433 -7.672 1.00 0.00 N ATOM 861 CA GLY A 55 -6.511 -1.136 -6.815 1.00 0.00 C ATOM 862 C GLY A 55 -6.117 -2.604 -6.674 1.00 0.00 C ATOM 863 O GLY A 55 -5.371 -2.979 -5.803 1.00 0.00 O ATOM 0 H GLY A 55 -5.104 -1.005 -8.407 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.556 -0.665 -5.833 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.506 -1.057 -7.253 1.00 0.00 H new ATOM 867 N SER A 56 -6.614 -3.455 -7.508 1.00 0.00 N ATOM 868 CA SER A 56 -6.253 -4.887 -7.362 1.00 0.00 C ATOM 869 C SER A 56 -4.730 -5.044 -7.215 1.00 0.00 C ATOM 870 O SER A 56 -4.258 -6.045 -6.719 1.00 0.00 O ATOM 871 CB SER A 56 -6.745 -5.673 -8.576 1.00 0.00 C ATOM 872 OG SER A 56 -6.044 -6.907 -8.654 1.00 0.00 O ATOM 0 H SER A 56 -7.247 -3.232 -8.276 1.00 0.00 H new ATOM 0 HA SER A 56 -6.731 -5.279 -6.464 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.817 -5.855 -8.495 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.588 -5.094 -9.486 1.00 0.00 H new ATOM 0 HG SER A 56 -6.359 -7.414 -9.431 1.00 0.00 H new ATOM 878 N SER A 57 -3.951 -4.056 -7.605 1.00 0.00 N ATOM 879 CA SER A 57 -2.466 -4.179 -7.442 1.00 0.00 C ATOM 880 C SER A 57 -2.069 -3.558 -6.108 1.00 0.00 C ATOM 881 O SER A 57 -1.898 -4.254 -5.138 1.00 0.00 O ATOM 882 CB SER A 57 -1.724 -3.452 -8.570 1.00 0.00 C ATOM 883 OG SER A 57 -1.927 -4.152 -9.791 1.00 0.00 O ATOM 0 H SER A 57 -4.275 -3.184 -8.023 1.00 0.00 H new ATOM 0 HA SER A 57 -2.196 -5.235 -7.476 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.087 -2.428 -8.659 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.659 -3.394 -8.343 1.00 0.00 H new ATOM 0 HG SER A 57 -1.456 -3.690 -10.515 1.00 0.00 H new ATOM 889 N ILE A 58 -1.946 -2.248 -6.059 1.00 0.00 N ATOM 890 CA ILE A 58 -1.574 -1.533 -4.791 1.00 0.00 C ATOM 891 C ILE A 58 -2.036 -2.326 -3.571 1.00 0.00 C ATOM 892 O ILE A 58 -1.301 -2.518 -2.623 1.00 0.00 O ATOM 893 CB ILE A 58 -2.264 -0.168 -4.802 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.840 0.673 -3.587 1.00 0.00 C ATOM 895 CG2 ILE A 58 -3.775 -0.356 -4.767 1.00 0.00 C ATOM 896 CD1 ILE A 58 -2.775 1.887 -3.457 1.00 0.00 C ATOM 0 H ILE A 58 -2.091 -1.634 -6.860 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.491 -1.422 -4.735 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.970 0.353 -5.713 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.881 0.069 -2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.808 1.005 -3.702 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.263 0.619 -4.775 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.091 -0.927 -5.640 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.054 -0.894 -3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.477 2.485 -2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.711 2.494 -4.360 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.801 1.544 -3.322 1.00 0.00 H new ATOM 908 N LEU A 59 -3.251 -2.785 -3.592 1.00 0.00 N ATOM 909 CA LEU A 59 -3.757 -3.568 -2.426 1.00 0.00 C ATOM 910 C LEU A 59 -3.159 -4.983 -2.443 1.00 0.00 C ATOM 911 O LEU A 59 -2.729 -5.487 -1.428 1.00 0.00 O ATOM 912 CB LEU A 59 -5.295 -3.703 -2.442 1.00 0.00 C ATOM 913 CG LEU A 59 -5.964 -2.421 -2.926 1.00 0.00 C ATOM 914 CD1 LEU A 59 -7.440 -2.702 -3.210 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.834 -1.323 -1.866 1.00 0.00 C ATOM 0 H LEU A 59 -3.914 -2.656 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.457 -3.027 -1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.582 -4.531 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.650 -3.944 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.475 -2.080 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.924 -1.789 -3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.523 -3.471 -3.978 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.927 -3.047 -2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.316 -0.413 -2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.314 -1.649 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.779 -1.124 -1.675 1.00 0.00 H new ATOM 927 N SER A 60 -3.169 -5.641 -3.578 1.00 0.00 N ATOM 928 CA SER A 60 -2.638 -7.041 -3.644 1.00 0.00 C ATOM 929 C SER A 60 -1.125 -7.044 -3.898 1.00 0.00 C ATOM 930 O SER A 60 -0.514 -8.087 -4.016 1.00 0.00 O ATOM 931 CB SER A 60 -3.348 -7.797 -4.774 1.00 0.00 C ATOM 932 OG SER A 60 -3.332 -9.189 -4.486 1.00 0.00 O ATOM 0 H SER A 60 -3.521 -5.270 -4.461 1.00 0.00 H new ATOM 0 HA SER A 60 -2.826 -7.530 -2.688 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.375 -7.446 -4.874 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.851 -7.604 -5.725 1.00 0.00 H new ATOM 0 HG SER A 60 -2.434 -9.453 -4.195 1.00 0.00 H new ATOM 938 N ILE A 61 -0.519 -5.897 -4.011 1.00 0.00 N ATOM 939 CA ILE A 61 0.944 -5.855 -4.285 1.00 0.00 C ATOM 940 C ILE A 61 1.718 -6.159 -2.994 1.00 0.00 C ATOM 941 O ILE A 61 2.353 -7.184 -2.895 1.00 0.00 O ATOM 942 CB ILE A 61 1.296 -4.472 -4.924 1.00 0.00 C ATOM 943 CG1 ILE A 61 2.360 -4.634 -6.013 1.00 0.00 C ATOM 944 CG2 ILE A 61 1.787 -3.442 -3.909 1.00 0.00 C ATOM 945 CD1 ILE A 61 3.685 -5.062 -5.399 1.00 0.00 C ATOM 0 H ILE A 61 -0.972 -4.987 -3.926 1.00 0.00 H new ATOM 0 HA ILE A 61 1.239 -6.621 -5.002 1.00 0.00 H new ATOM 0 HB ILE A 61 0.364 -4.100 -5.350 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.033 -5.375 -6.742 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.487 -3.694 -6.549 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.013 -2.506 -4.420 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.012 -3.269 -3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.687 -3.814 -3.419 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.431 -5.173 -6.185 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.017 -4.306 -4.687 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.557 -6.014 -4.884 1.00 0.00 H new ATOM 957 N LEU A 62 1.669 -5.310 -2.009 1.00 0.00 N ATOM 958 CA LEU A 62 2.423 -5.582 -0.743 1.00 0.00 C ATOM 959 C LEU A 62 2.076 -6.966 -0.207 1.00 0.00 C ATOM 960 O LEU A 62 2.624 -7.417 0.780 1.00 0.00 O ATOM 961 CB LEU A 62 2.092 -4.511 0.293 1.00 0.00 C ATOM 962 CG LEU A 62 2.462 -3.136 -0.277 1.00 0.00 C ATOM 963 CD1 LEU A 62 2.061 -2.046 0.720 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.971 -3.055 -0.571 1.00 0.00 C ATOM 0 H LEU A 62 1.141 -4.437 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 62 3.492 -5.554 -0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.031 -4.543 0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.642 -4.697 1.216 1.00 0.00 H new ATOM 0 HG LEU A 62 1.925 -2.988 -1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.324 -1.068 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.986 -2.090 0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.588 -2.203 1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.211 -2.071 -0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.530 -3.215 0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.242 -3.821 -1.298 1.00 0.00 H new ATOM 976 N LEU A 63 1.147 -7.631 -0.826 1.00 0.00 N ATOM 977 CA LEU A 63 0.725 -8.963 -0.349 1.00 0.00 C ATOM 978 C LEU A 63 1.570 -10.078 -0.982 1.00 0.00 C ATOM 979 O LEU A 63 2.119 -10.911 -0.288 1.00 0.00 O ATOM 980 CB LEU A 63 -0.723 -9.153 -0.775 1.00 0.00 C ATOM 981 CG LEU A 63 -1.680 -8.252 0.041 1.00 0.00 C ATOM 982 CD1 LEU A 63 -2.014 -8.904 1.382 1.00 0.00 C ATOM 983 CD2 LEU A 63 -1.087 -6.860 0.312 1.00 0.00 C ATOM 0 H LEU A 63 0.656 -7.298 -1.656 1.00 0.00 H new ATOM 0 HA LEU A 63 0.848 -9.018 0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.824 -8.925 -1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.007 -10.197 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.580 -8.133 -0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.688 -8.257 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.495 -9.866 1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.097 -9.054 1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.798 -6.267 0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.160 -6.963 0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.882 -6.361 -0.635 1.00 0.00 H new ATOM 995 N GLU A 64 1.633 -10.136 -2.297 1.00 0.00 N ATOM 996 CA GLU A 64 2.393 -11.246 -2.972 1.00 0.00 C ATOM 997 C GLU A 64 3.339 -10.727 -4.058 1.00 0.00 C ATOM 998 O GLU A 64 4.517 -11.026 -4.052 1.00 0.00 O ATOM 999 CB GLU A 64 1.383 -12.173 -3.639 1.00 0.00 C ATOM 1000 CG GLU A 64 0.483 -12.804 -2.576 1.00 0.00 C ATOM 1001 CD GLU A 64 1.301 -13.780 -1.727 1.00 0.00 C ATOM 1002 OE1 GLU A 64 1.887 -14.684 -2.299 1.00 0.00 O ATOM 1003 OE2 GLU A 64 1.329 -13.604 -0.520 1.00 0.00 O ATOM 0 H GLU A 64 1.194 -9.467 -2.929 1.00 0.00 H new ATOM 0 HA GLU A 64 2.989 -11.754 -2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.780 -11.615 -4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.903 -12.951 -4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.051 -12.029 -1.943 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.347 -13.327 -3.051 1.00 0.00 H new ATOM 1010 N GLU A 65 2.826 -10.002 -5.017 1.00 0.00 N ATOM 1011 CA GLU A 65 3.689 -9.510 -6.138 1.00 0.00 C ATOM 1012 C GLU A 65 5.016 -8.987 -5.604 1.00 0.00 C ATOM 1013 O GLU A 65 5.974 -8.823 -6.333 1.00 0.00 O ATOM 1014 CB GLU A 65 2.964 -8.404 -6.910 1.00 0.00 C ATOM 1015 CG GLU A 65 1.514 -8.818 -7.165 1.00 0.00 C ATOM 1016 CD GLU A 65 1.481 -10.191 -7.839 1.00 0.00 C ATOM 1017 OE1 GLU A 65 2.120 -10.339 -8.868 1.00 0.00 O ATOM 1018 OE2 GLU A 65 0.820 -11.071 -7.315 1.00 0.00 O ATOM 0 H GLU A 65 1.845 -9.727 -5.075 1.00 0.00 H new ATOM 0 HA GLU A 65 3.891 -10.344 -6.811 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.992 -7.473 -6.343 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.470 -8.216 -7.857 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.964 -8.851 -6.224 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.021 -8.080 -7.797 1.00 0.00 H new ATOM 1025 N VAL A 66 5.074 -8.727 -4.340 1.00 0.00 N ATOM 1026 CA VAL A 66 6.334 -8.213 -3.725 1.00 0.00 C ATOM 1027 C VAL A 66 6.505 -8.813 -2.320 1.00 0.00 C ATOM 1028 O VAL A 66 5.609 -8.769 -1.503 1.00 0.00 O ATOM 1029 CB VAL A 66 6.233 -6.682 -3.658 1.00 0.00 C ATOM 1030 CG1 VAL A 66 5.307 -6.253 -2.516 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.625 -6.069 -3.459 1.00 0.00 C ATOM 0 H VAL A 66 4.297 -8.847 -3.690 1.00 0.00 H new ATOM 0 HA VAL A 66 7.202 -8.498 -4.319 1.00 0.00 H new ATOM 0 HB VAL A 66 5.816 -6.323 -4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.248 -5.165 -2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.312 -6.666 -2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.701 -6.623 -1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.541 -4.983 -3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.056 -6.439 -2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.268 -6.348 -4.294 1.00 0.00 H new ATOM 1041 N SER A 67 7.649 -9.374 -2.026 1.00 0.00 N ATOM 1042 CA SER A 67 7.849 -9.959 -0.669 1.00 0.00 C ATOM 1043 C SER A 67 7.968 -8.794 0.329 1.00 0.00 C ATOM 1044 O SER A 67 8.427 -7.742 -0.053 1.00 0.00 O ATOM 1045 CB SER A 67 9.133 -10.795 -0.655 1.00 0.00 C ATOM 1046 OG SER A 67 8.864 -12.075 -1.212 1.00 0.00 O ATOM 0 H SER A 67 8.445 -9.452 -2.659 1.00 0.00 H new ATOM 0 HA SER A 67 7.013 -10.605 -0.399 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.914 -10.293 -1.227 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.502 -10.899 0.365 1.00 0.00 H new ATOM 0 HG SER A 67 9.683 -12.613 -1.207 1.00 0.00 H new ATOM 1052 N PRO A 68 7.549 -8.989 1.567 1.00 0.00 N ATOM 1053 CA PRO A 68 7.605 -7.911 2.578 1.00 0.00 C ATOM 1054 C PRO A 68 9.032 -7.339 2.699 1.00 0.00 C ATOM 1055 O PRO A 68 9.227 -6.139 2.797 1.00 0.00 O ATOM 1056 CB PRO A 68 7.144 -8.585 3.895 1.00 0.00 C ATOM 1057 CG PRO A 68 6.909 -10.091 3.594 1.00 0.00 C ATOM 1058 CD PRO A 68 7.007 -10.272 2.068 1.00 0.00 C ATOM 0 HA PRO A 68 6.973 -7.062 2.316 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.898 -8.463 4.672 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.229 -8.121 4.263 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.652 -10.705 4.103 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.931 -10.408 3.957 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.661 -11.105 1.810 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.031 -10.486 1.632 1.00 0.00 H new ATOM 1066 N GLU A 69 10.027 -8.184 2.706 1.00 0.00 N ATOM 1067 CA GLU A 69 11.427 -7.684 2.842 1.00 0.00 C ATOM 1068 C GLU A 69 11.778 -6.739 1.686 1.00 0.00 C ATOM 1069 O GLU A 69 12.302 -5.662 1.894 1.00 0.00 O ATOM 1070 CB GLU A 69 12.395 -8.871 2.853 1.00 0.00 C ATOM 1071 CG GLU A 69 13.830 -8.360 2.999 1.00 0.00 C ATOM 1072 CD GLU A 69 14.776 -9.543 3.211 1.00 0.00 C ATOM 1073 OE1 GLU A 69 14.335 -10.537 3.764 1.00 0.00 O ATOM 1074 OE2 GLU A 69 15.925 -9.437 2.815 1.00 0.00 O ATOM 0 H GLU A 69 9.933 -9.196 2.624 1.00 0.00 H new ATOM 0 HA GLU A 69 11.513 -7.132 3.778 1.00 0.00 H new ATOM 0 HB2 GLU A 69 12.152 -9.544 3.675 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.294 -9.444 1.932 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.121 -7.804 2.108 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.898 -7.671 3.841 1.00 0.00 H new ATOM 1081 N LEU A 70 11.497 -7.123 0.471 1.00 0.00 N ATOM 1082 CA LEU A 70 11.823 -6.234 -0.676 1.00 0.00 C ATOM 1083 C LEU A 70 11.227 -4.845 -0.408 1.00 0.00 C ATOM 1084 O LEU A 70 11.871 -3.835 -0.597 1.00 0.00 O ATOM 1085 CB LEU A 70 11.234 -6.846 -1.957 1.00 0.00 C ATOM 1086 CG LEU A 70 11.214 -5.820 -3.099 1.00 0.00 C ATOM 1087 CD1 LEU A 70 12.621 -5.249 -3.310 1.00 0.00 C ATOM 1088 CD2 LEU A 70 10.749 -6.502 -4.400 1.00 0.00 C ATOM 0 H LEU A 70 11.058 -8.010 0.225 1.00 0.00 H new ATOM 0 HA LEU A 70 12.902 -6.135 -0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.823 -7.714 -2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.221 -7.199 -1.763 1.00 0.00 H new ATOM 0 HG LEU A 70 10.528 -5.014 -2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.601 -4.522 -4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.957 -4.762 -2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.307 -6.057 -3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.736 -5.772 -5.209 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.435 -7.310 -4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.747 -6.907 -4.260 1.00 0.00 H new ATOM 1100 N VAL A 71 10.002 -4.786 0.035 1.00 0.00 N ATOM 1101 CA VAL A 71 9.372 -3.461 0.314 1.00 0.00 C ATOM 1102 C VAL A 71 10.351 -2.574 1.076 1.00 0.00 C ATOM 1103 O VAL A 71 10.713 -1.511 0.617 1.00 0.00 O ATOM 1104 CB VAL A 71 8.112 -3.656 1.150 1.00 0.00 C ATOM 1105 CG1 VAL A 71 7.282 -2.372 1.142 1.00 0.00 C ATOM 1106 CG2 VAL A 71 7.297 -4.791 0.548 1.00 0.00 C ATOM 0 H VAL A 71 9.409 -5.596 0.216 1.00 0.00 H new ATOM 0 HA VAL A 71 9.111 -2.985 -0.631 1.00 0.00 H new ATOM 0 HB VAL A 71 8.385 -3.896 2.178 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.383 -2.516 1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.870 -1.556 1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.001 -2.127 0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.392 -4.941 1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.025 -4.540 -0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.889 -5.706 0.553 1.00 0.00 H new ATOM 1116 N CYS A 72 10.796 -3.000 2.229 1.00 0.00 N ATOM 1117 CA CYS A 72 11.767 -2.150 2.994 1.00 0.00 C ATOM 1118 C CYS A 72 12.874 -1.686 2.047 1.00 0.00 C ATOM 1119 O CYS A 72 13.433 -0.619 2.205 1.00 0.00 O ATOM 1120 CB CYS A 72 12.386 -2.924 4.163 1.00 0.00 C ATOM 1121 SG CYS A 72 13.479 -1.807 5.083 1.00 0.00 S ATOM 0 H CYS A 72 10.538 -3.882 2.671 1.00 0.00 H new ATOM 0 HA CYS A 72 11.231 -1.293 3.403 1.00 0.00 H new ATOM 0 HB2 CYS A 72 11.604 -3.311 4.816 1.00 0.00 H new ATOM 0 HB3 CYS A 72 12.947 -3.783 3.793 1.00 0.00 H new ATOM 1126 N SER A 73 13.177 -2.468 1.044 1.00 0.00 N ATOM 1127 CA SER A 73 14.224 -2.049 0.075 1.00 0.00 C ATOM 1128 C SER A 73 13.623 -0.972 -0.840 1.00 0.00 C ATOM 1129 O SER A 73 14.139 0.124 -0.940 1.00 0.00 O ATOM 1130 CB SER A 73 14.705 -3.266 -0.737 1.00 0.00 C ATOM 1131 OG SER A 73 16.095 -3.454 -0.509 1.00 0.00 O ATOM 0 H SER A 73 12.746 -3.373 0.857 1.00 0.00 H new ATOM 0 HA SER A 73 15.089 -1.639 0.596 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.151 -4.158 -0.443 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.515 -3.109 -1.799 1.00 0.00 H new ATOM 0 HG SER A 73 16.409 -4.228 -1.021 1.00 0.00 H new ATOM 1137 N MET A 74 12.523 -1.262 -1.493 1.00 0.00 N ATOM 1138 CA MET A 74 11.900 -0.229 -2.372 1.00 0.00 C ATOM 1139 C MET A 74 11.700 1.046 -1.554 1.00 0.00 C ATOM 1140 O MET A 74 11.995 2.136 -2.002 1.00 0.00 O ATOM 1141 CB MET A 74 10.535 -0.716 -2.881 1.00 0.00 C ATOM 1142 CG MET A 74 10.715 -1.757 -3.992 1.00 0.00 C ATOM 1143 SD MET A 74 9.186 -1.871 -4.961 1.00 0.00 S ATOM 1144 CE MET A 74 8.110 -2.474 -3.636 1.00 0.00 C ATOM 0 H MET A 74 12.037 -2.158 -1.455 1.00 0.00 H new ATOM 0 HA MET A 74 12.549 -0.041 -3.227 1.00 0.00 H new ATOM 0 HB2 MET A 74 9.967 -1.149 -2.058 1.00 0.00 H new ATOM 0 HB3 MET A 74 9.958 0.129 -3.257 1.00 0.00 H new ATOM 0 HG2 MET A 74 11.548 -1.477 -4.637 1.00 0.00 H new ATOM 0 HG3 MET A 74 10.959 -2.728 -3.560 1.00 0.00 H new ATOM 0 HE1 MET A 74 7.203 -2.898 -4.068 1.00 0.00 H new ATOM 0 HE2 MET A 74 8.632 -3.241 -3.064 1.00 0.00 H new ATOM 0 HE3 MET A 74 7.846 -1.647 -2.977 1.00 0.00 H new