USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 LYS NZ :NH3+ 164:sc= 0.346 (180deg=0.227) USER MOD Set 1.2: A 73 MET CE :methyl 147:sc= -0.0604 (180deg=-1.9) USER MOD Set 1.3: A 76 GLN : amide:sc= -1.32 X(o=-1,f=-0.59) USER MOD Set 2.1: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 19 MET CE :methyl -164:sc= 0 (180deg=-0.276) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 149:sc= -3.39 USER MOD Single : A 38 HIS : no HD1:sc= -4.05! K(o=-4.1!,f=-2.4) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0929 K(o=-0.093,f=-1.9!) USER MOD Single : A 47 ASN : amide:sc= -0.347 K(o=-0.35,f=-6.6!) USER MOD Single : A 49 ASN : amide:sc= -0.0657 K(o=-0.066,f=-1.5) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 CYS SG : rot 13:sc= -2.16 USER MOD Single : A 61 GLN : amide:sc= -0.291 K(o=-0.29,f=-3!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.12) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0545 USER MOD Single : A 75 SER OG : rot 84:sc= -0.0217 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.228 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -2.52! C(o=-2.5!,f=-5.6!) USER MOD Single : A 83 SER OG : rot 34:sc= 0.0679 USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 11 -4.262 -14.498 -0.641 1.00 0.00 N ATOM 112 CA LYS A 11 -3.646 -13.430 0.128 1.00 0.00 C ATOM 113 C LYS A 11 -2.138 -13.675 0.216 1.00 0.00 C ATOM 114 O LYS A 11 -1.679 -14.805 0.058 1.00 0.00 O ATOM 115 CB LYS A 11 -4.327 -13.289 1.491 1.00 0.00 C ATOM 116 CG LYS A 11 -5.830 -13.050 1.331 1.00 0.00 C ATOM 117 CD LYS A 11 -6.352 -12.100 2.411 1.00 0.00 C ATOM 118 CE LYS A 11 -7.656 -12.623 3.016 1.00 0.00 C ATOM 119 NZ LYS A 11 -8.187 -11.663 4.010 1.00 0.00 N ATOM 0 HA LYS A 11 -3.785 -12.472 -0.372 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.159 -14.190 2.080 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.880 -12.461 2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.032 -12.632 0.345 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.361 -14.000 1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.603 -11.987 3.195 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.516 -11.111 1.982 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.391 -12.783 2.227 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.482 -13.589 3.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.072 -12.033 4.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.491 -11.530 4.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.372 -10.750 3.547 1.00 0.00 H new ATOM 133 N PHE A 12 -1.410 -12.597 0.467 1.00 0.00 N ATOM 134 CA PHE A 12 0.037 -12.681 0.578 1.00 0.00 C ATOM 135 C PHE A 12 0.505 -12.260 1.973 1.00 0.00 C ATOM 136 O PHE A 12 0.059 -11.241 2.499 1.00 0.00 O ATOM 137 CB PHE A 12 0.621 -11.718 -0.456 1.00 0.00 C ATOM 138 CG PHE A 12 0.196 -12.017 -1.895 1.00 0.00 C ATOM 139 CD1 PHE A 12 0.262 -13.288 -2.373 1.00 0.00 C ATOM 140 CD2 PHE A 12 -0.247 -11.011 -2.696 1.00 0.00 C ATOM 141 CE1 PHE A 12 -0.133 -13.566 -3.709 1.00 0.00 C ATOM 142 CE2 PHE A 12 -0.641 -11.289 -4.032 1.00 0.00 C ATOM 143 CZ PHE A 12 -0.576 -12.560 -4.510 1.00 0.00 C ATOM 0 H PHE A 12 -1.794 -11.661 0.597 1.00 0.00 H new ATOM 0 HA PHE A 12 0.365 -13.707 0.409 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.319 -10.702 -0.202 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.709 -11.752 -0.395 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.615 -14.086 -1.737 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.299 -10.001 -2.316 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.082 -14.576 -4.088 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.992 -10.490 -4.668 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.876 -12.771 -5.526 1.00 0.00 H new ATOM 153 N LYS A 13 1.398 -13.064 2.531 1.00 0.00 N ATOM 154 CA LYS A 13 1.931 -12.787 3.853 1.00 0.00 C ATOM 155 C LYS A 13 2.708 -11.469 3.820 1.00 0.00 C ATOM 156 O LYS A 13 3.488 -11.227 2.900 1.00 0.00 O ATOM 157 CB LYS A 13 2.755 -13.973 4.358 1.00 0.00 C ATOM 158 CG LYS A 13 2.509 -14.218 5.848 1.00 0.00 C ATOM 159 CD LYS A 13 3.363 -13.282 6.706 1.00 0.00 C ATOM 160 CE LYS A 13 2.691 -13.007 8.053 1.00 0.00 C ATOM 161 NZ LYS A 13 3.469 -13.618 9.154 1.00 0.00 N ATOM 0 H LYS A 13 1.766 -13.908 2.091 1.00 0.00 H new ATOM 0 HA LYS A 13 1.121 -12.662 4.571 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.496 -14.867 3.791 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.815 -13.783 4.187 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.454 -14.065 6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.741 -15.254 6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.345 -13.727 6.869 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.523 -12.343 6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.607 -11.932 8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.678 -13.408 8.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.000 -13.422 10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.527 -14.646 9.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.428 -13.216 9.166 1.00 0.00 H new ATOM 175 N LEU A 14 2.467 -10.651 4.834 1.00 0.00 N ATOM 176 CA LEU A 14 3.134 -9.364 4.932 1.00 0.00 C ATOM 177 C LEU A 14 4.495 -9.550 5.606 1.00 0.00 C ATOM 178 O LEU A 14 4.687 -10.489 6.378 1.00 0.00 O ATOM 179 CB LEU A 14 2.234 -8.346 5.634 1.00 0.00 C ATOM 180 CG LEU A 14 1.312 -7.528 4.728 1.00 0.00 C ATOM 181 CD1 LEU A 14 -0.156 -7.875 4.981 1.00 0.00 C ATOM 182 CD2 LEU A 14 1.582 -6.029 4.881 1.00 0.00 C ATOM 0 H LEU A 14 1.819 -10.855 5.595 1.00 0.00 H new ATOM 0 HA LEU A 14 3.323 -8.956 3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.619 -8.876 6.362 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.866 -7.656 6.193 1.00 0.00 H new ATOM 0 HG LEU A 14 1.530 -7.791 3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.789 -7.279 4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.319 -8.934 4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.407 -7.660 6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.913 -5.470 4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.409 -5.732 5.915 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.616 -5.816 4.611 1.00 0.00 H new ATOM 194 N SER A 15 5.405 -8.640 5.291 1.00 0.00 N ATOM 195 CA SER A 15 6.743 -8.692 5.857 1.00 0.00 C ATOM 196 C SER A 15 6.739 -8.090 7.263 1.00 0.00 C ATOM 197 O SER A 15 5.786 -7.417 7.652 1.00 0.00 O ATOM 198 CB SER A 15 7.746 -7.955 4.967 1.00 0.00 C ATOM 199 OG SER A 15 8.515 -8.854 4.173 1.00 0.00 O ATOM 0 H SER A 15 5.242 -7.862 4.651 1.00 0.00 H new ATOM 0 HA SER A 15 7.050 -9.736 5.916 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.213 -7.262 4.316 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.413 -7.359 5.589 1.00 0.00 H new ATOM 0 HG SER A 15 9.142 -8.345 3.618 1.00 0.00 H new ATOM 205 N THR A 16 7.817 -8.353 7.988 1.00 0.00 N ATOM 206 CA THR A 16 7.950 -7.846 9.343 1.00 0.00 C ATOM 207 C THR A 16 7.894 -6.317 9.348 1.00 0.00 C ATOM 208 O THR A 16 7.373 -5.715 10.285 1.00 0.00 O ATOM 209 CB THR A 16 9.245 -8.409 9.933 1.00 0.00 C ATOM 210 OG1 THR A 16 8.965 -9.793 10.126 1.00 0.00 O ATOM 211 CG2 THR A 16 9.522 -7.884 11.343 1.00 0.00 C ATOM 0 H THR A 16 8.606 -8.911 7.662 1.00 0.00 H new ATOM 0 HA THR A 16 7.121 -8.172 9.971 1.00 0.00 H new ATOM 0 HB THR A 16 10.081 -8.157 9.281 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.753 -10.236 10.504 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.452 -8.314 11.715 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.610 -6.798 11.316 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.702 -8.165 12.004 1.00 0.00 H new ATOM 219 N ALA A 17 8.439 -5.734 8.290 1.00 0.00 N ATOM 220 CA ALA A 17 8.458 -4.287 8.161 1.00 0.00 C ATOM 221 C ALA A 17 7.138 -3.817 7.546 1.00 0.00 C ATOM 222 O ALA A 17 6.543 -2.846 8.012 1.00 0.00 O ATOM 223 CB ALA A 17 9.672 -3.864 7.331 1.00 0.00 C ATOM 0 H ALA A 17 8.870 -6.237 7.515 1.00 0.00 H new ATOM 0 HA ALA A 17 8.552 -3.815 9.139 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.686 -2.778 7.234 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.585 -4.196 7.826 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.611 -4.316 6.341 1.00 0.00 H new ATOM 229 N LEU A 18 6.720 -4.527 6.509 1.00 0.00 N ATOM 230 CA LEU A 18 5.482 -4.194 5.825 1.00 0.00 C ATOM 231 C LEU A 18 4.310 -4.349 6.797 1.00 0.00 C ATOM 232 O LEU A 18 3.270 -3.714 6.627 1.00 0.00 O ATOM 233 CB LEU A 18 5.335 -5.025 4.548 1.00 0.00 C ATOM 234 CG LEU A 18 4.565 -4.364 3.403 1.00 0.00 C ATOM 235 CD1 LEU A 18 5.263 -3.084 2.940 1.00 0.00 C ATOM 236 CD2 LEU A 18 4.346 -5.347 2.251 1.00 0.00 C ATOM 0 H LEU A 18 7.216 -5.331 6.126 1.00 0.00 H new ATOM 0 HA LEU A 18 5.494 -3.153 5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.331 -5.282 4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.837 -5.961 4.802 1.00 0.00 H new ATOM 0 HG LEU A 18 3.581 -4.077 3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.695 -2.634 2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.324 -2.382 3.771 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.268 -3.323 2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.796 -4.852 1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.311 -5.686 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.775 -6.204 2.608 1.00 0.00 H new ATOM 248 N MET A 19 4.518 -5.196 7.795 1.00 0.00 N ATOM 249 CA MET A 19 3.492 -5.441 8.794 1.00 0.00 C ATOM 250 C MET A 19 3.434 -4.301 9.812 1.00 0.00 C ATOM 251 O MET A 19 2.356 -3.934 10.277 1.00 0.00 O ATOM 252 CB MET A 19 3.788 -6.757 9.517 1.00 0.00 C ATOM 253 CG MET A 19 3.142 -7.939 8.792 1.00 0.00 C ATOM 254 SD MET A 19 2.904 -9.295 9.927 1.00 0.00 S ATOM 255 CE MET A 19 4.573 -9.922 10.016 1.00 0.00 C ATOM 0 H MET A 19 5.382 -5.721 7.933 1.00 0.00 H new ATOM 0 HA MET A 19 2.527 -5.502 8.290 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.866 -6.908 9.578 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.415 -6.706 10.540 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.185 -7.637 8.368 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.773 -8.256 7.961 1.00 0.00 H new ATOM 0 HE1 MET A 19 4.563 -10.924 10.446 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.001 -9.961 9.014 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.176 -9.265 10.643 1.00 0.00 H new ATOM 265 N ASP A 20 4.607 -3.772 10.128 1.00 0.00 N ATOM 266 CA ASP A 20 4.703 -2.680 11.082 1.00 0.00 C ATOM 267 C ASP A 20 4.313 -1.371 10.394 1.00 0.00 C ATOM 268 O ASP A 20 4.055 -0.368 11.058 1.00 0.00 O ATOM 269 CB ASP A 20 6.133 -2.531 11.607 1.00 0.00 C ATOM 270 CG ASP A 20 6.243 -2.083 13.065 1.00 0.00 C ATOM 271 OD1 ASP A 20 5.221 -1.582 13.584 1.00 0.00 O ATOM 272 OD2 ASP A 20 7.345 -2.251 13.629 1.00 0.00 O ATOM 0 H ASP A 20 5.499 -4.079 9.740 1.00 0.00 H new ATOM 0 HA ASP A 20 4.034 -2.900 11.914 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.646 -3.486 11.497 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.661 -1.812 10.981 1.00 0.00 H new ATOM 277 N VAL A 21 4.284 -1.421 9.070 1.00 0.00 N ATOM 278 CA VAL A 21 3.930 -0.251 8.284 1.00 0.00 C ATOM 279 C VAL A 21 2.412 -0.065 8.309 1.00 0.00 C ATOM 280 O VAL A 21 1.922 1.060 8.395 1.00 0.00 O ATOM 281 CB VAL A 21 4.493 -0.383 6.867 1.00 0.00 C ATOM 282 CG1 VAL A 21 4.012 0.765 5.977 1.00 0.00 C ATOM 283 CG2 VAL A 21 6.021 -0.456 6.889 1.00 0.00 C ATOM 0 H VAL A 21 4.500 -2.254 8.522 1.00 0.00 H new ATOM 0 HA VAL A 21 4.374 0.647 8.714 1.00 0.00 H new ATOM 0 HB VAL A 21 4.119 -1.315 6.443 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.426 0.647 4.976 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.923 0.752 5.923 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.343 1.715 6.397 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.396 -0.549 5.870 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.422 0.451 7.341 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.336 -1.322 7.472 1.00 0.00 H new ATOM 293 N LEU A 22 1.709 -1.186 8.233 1.00 0.00 N ATOM 294 CA LEU A 22 0.256 -1.161 8.246 1.00 0.00 C ATOM 295 C LEU A 22 -0.248 -1.757 9.561 1.00 0.00 C ATOM 296 O LEU A 22 -0.913 -1.077 10.341 1.00 0.00 O ATOM 297 CB LEU A 22 -0.303 -1.854 7.002 1.00 0.00 C ATOM 298 CG LEU A 22 0.427 -1.565 5.688 1.00 0.00 C ATOM 299 CD1 LEU A 22 0.004 -2.552 4.598 1.00 0.00 C ATOM 300 CD2 LEU A 22 0.224 -0.112 5.256 1.00 0.00 C ATOM 0 H LEU A 22 2.119 -2.117 8.162 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.108 -0.135 8.201 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.289 -2.930 7.173 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.347 -1.563 6.886 1.00 0.00 H new ATOM 0 HG LEU A 22 1.495 -1.705 5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.537 -2.325 3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.242 -3.567 4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.069 -2.468 4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.753 0.067 4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.840 0.080 5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.614 0.554 6.026 1.00 0.00 H new ATOM 312 N GLY A 23 0.087 -3.023 9.767 1.00 0.00 N ATOM 313 CA GLY A 23 -0.324 -3.718 10.974 1.00 0.00 C ATOM 314 C GLY A 23 -1.194 -4.932 10.639 1.00 0.00 C ATOM 315 O GLY A 23 -2.132 -5.248 11.369 1.00 0.00 O ATOM 0 H GLY A 23 0.638 -3.585 9.118 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.556 -4.040 11.530 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.878 -3.036 11.620 1.00 0.00 H new ATOM 319 N ILE A 24 -0.852 -5.578 9.534 1.00 0.00 N ATOM 320 CA ILE A 24 -1.590 -6.749 9.093 1.00 0.00 C ATOM 321 C ILE A 24 -0.682 -7.978 9.173 1.00 0.00 C ATOM 322 O ILE A 24 0.411 -7.912 9.732 1.00 0.00 O ATOM 323 CB ILE A 24 -2.187 -6.514 7.704 1.00 0.00 C ATOM 324 CG1 ILE A 24 -1.376 -5.476 6.926 1.00 0.00 C ATOM 325 CG2 ILE A 24 -3.665 -6.132 7.800 1.00 0.00 C ATOM 326 CD1 ILE A 24 -1.878 -5.354 5.487 1.00 0.00 C ATOM 0 H ILE A 24 -0.073 -5.312 8.931 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.438 -6.936 9.751 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.132 -7.449 7.146 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.446 -4.508 7.422 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.323 -5.758 6.925 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.065 -5.971 6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.218 -6.936 8.286 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.767 -5.217 8.383 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.284 -4.610 4.956 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.784 -6.317 4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.924 -5.048 5.491 1.00 0.00 H new ATOM 338 N GLU A 25 -1.170 -9.072 8.605 1.00 0.00 N ATOM 339 CA GLU A 25 -0.416 -10.314 8.605 1.00 0.00 C ATOM 340 C GLU A 25 -0.638 -11.069 7.293 1.00 0.00 C ATOM 341 O GLU A 25 0.312 -11.573 6.694 1.00 0.00 O ATOM 342 CB GLU A 25 -0.790 -11.183 9.807 1.00 0.00 C ATOM 343 CG GLU A 25 0.371 -12.095 10.207 1.00 0.00 C ATOM 344 CD GLU A 25 0.584 -12.078 11.722 1.00 0.00 C ATOM 345 OE1 GLU A 25 -0.431 -11.934 12.437 1.00 0.00 O ATOM 346 OE2 GLU A 25 1.758 -12.210 12.131 1.00 0.00 O ATOM 0 H GLU A 25 -2.077 -9.124 8.142 1.00 0.00 H new ATOM 0 HA GLU A 25 0.644 -10.073 8.689 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.064 -10.547 10.649 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.665 -11.787 9.566 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.169 -13.114 9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.282 -11.771 9.704 1.00 0.00 H new ATOM 353 N VAL A 26 -1.897 -11.124 6.884 1.00 0.00 N ATOM 354 CA VAL A 26 -2.255 -11.809 5.654 1.00 0.00 C ATOM 355 C VAL A 26 -3.275 -10.967 4.885 1.00 0.00 C ATOM 356 O VAL A 26 -4.456 -10.950 5.228 1.00 0.00 O ATOM 357 CB VAL A 26 -2.759 -13.219 5.968 1.00 0.00 C ATOM 358 CG1 VAL A 26 -2.877 -14.056 4.692 1.00 0.00 C ATOM 359 CG2 VAL A 26 -1.857 -13.908 6.994 1.00 0.00 C ATOM 0 H VAL A 26 -2.682 -10.705 7.383 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.381 -11.926 5.013 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.754 -13.130 6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.237 -15.054 4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.578 -13.579 4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.900 -14.132 4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.238 -14.909 7.199 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.844 -13.979 6.598 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.846 -13.328 7.917 1.00 0.00 H new ATOM 369 N GLU A 27 -2.782 -10.289 3.859 1.00 0.00 N ATOM 370 CA GLU A 27 -3.636 -9.447 3.038 1.00 0.00 C ATOM 371 C GLU A 27 -3.379 -9.716 1.554 1.00 0.00 C ATOM 372 O GLU A 27 -2.445 -10.436 1.203 1.00 0.00 O ATOM 373 CB GLU A 27 -3.431 -7.968 3.371 1.00 0.00 C ATOM 374 CG GLU A 27 -4.764 -7.287 3.685 1.00 0.00 C ATOM 375 CD GLU A 27 -5.542 -8.066 4.748 1.00 0.00 C ATOM 376 OE1 GLU A 27 -4.928 -8.366 5.795 1.00 0.00 O ATOM 377 OE2 GLU A 27 -6.733 -8.345 4.489 1.00 0.00 O ATOM 0 H GLU A 27 -1.802 -10.306 3.577 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.675 -9.694 3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.760 -7.873 4.225 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.951 -7.466 2.531 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.583 -6.270 4.034 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.360 -7.211 2.776 1.00 0.00 H new ATOM 384 N THR A 28 -4.223 -9.123 0.723 1.00 0.00 N ATOM 385 CA THR A 28 -4.098 -9.289 -0.715 1.00 0.00 C ATOM 386 C THR A 28 -3.029 -8.346 -1.270 1.00 0.00 C ATOM 387 O THR A 28 -2.203 -7.828 -0.520 1.00 0.00 O ATOM 388 CB THR A 28 -5.479 -9.075 -1.337 1.00 0.00 C ATOM 389 OG1 THR A 28 -5.859 -7.773 -0.899 1.00 0.00 O ATOM 390 CG2 THR A 28 -6.542 -9.996 -0.735 1.00 0.00 C ATOM 0 H THR A 28 -4.996 -8.527 1.018 1.00 0.00 H new ATOM 0 HA THR A 28 -3.763 -10.295 -0.969 1.00 0.00 H new ATOM 0 HB THR A 28 -5.422 -9.242 -2.413 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.426 -7.352 -1.579 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.503 -9.803 -1.212 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.258 -11.035 -0.899 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.624 -9.807 0.335 1.00 0.00 H new ATOM 398 N ARG A 29 -3.079 -8.152 -2.580 1.00 0.00 N ATOM 399 CA ARG A 29 -2.125 -7.280 -3.244 1.00 0.00 C ATOM 400 C ARG A 29 -2.575 -5.822 -3.138 1.00 0.00 C ATOM 401 O ARG A 29 -1.770 -4.940 -2.844 1.00 0.00 O ATOM 402 CB ARG A 29 -1.973 -7.653 -4.720 1.00 0.00 C ATOM 403 CG ARG A 29 -0.559 -7.349 -5.220 1.00 0.00 C ATOM 404 CD ARG A 29 -0.336 -7.926 -6.619 1.00 0.00 C ATOM 405 NE ARG A 29 0.472 -9.163 -6.534 1.00 0.00 N ATOM 406 CZ ARG A 29 0.753 -9.951 -7.580 1.00 0.00 C ATOM 407 NH1 ARG A 29 0.293 -9.635 -8.799 1.00 0.00 N ATOM 408 NH2 ARG A 29 1.493 -11.054 -7.409 1.00 0.00 N ATOM 0 H ARG A 29 -3.765 -8.584 -3.199 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.162 -7.404 -2.748 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.190 -8.713 -4.855 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.700 -7.100 -5.315 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.400 -6.271 -5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.173 -7.768 -4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.295 -8.140 -7.090 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.171 -7.193 -7.247 1.00 0.00 H new ATOM 0 HE ARG A 29 0.838 -9.433 -5.621 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.271 -8.795 -8.929 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.507 -10.235 -9.596 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.843 -11.295 -6.482 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.707 -11.654 -8.206 1.00 0.00 H new ATOM 422 N PRO A 30 -3.894 -5.607 -3.390 1.00 0.00 N ATOM 423 CA PRO A 30 -4.461 -4.271 -3.325 1.00 0.00 C ATOM 424 C PRO A 30 -4.628 -3.816 -1.874 1.00 0.00 C ATOM 425 O PRO A 30 -4.087 -2.785 -1.477 1.00 0.00 O ATOM 426 CB PRO A 30 -5.780 -4.367 -4.074 1.00 0.00 C ATOM 427 CG PRO A 30 -6.123 -5.847 -4.126 1.00 0.00 C ATOM 428 CD PRO A 30 -4.877 -6.628 -3.741 1.00 0.00 C ATOM 0 HA PRO A 30 -3.816 -3.517 -3.777 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.561 -3.803 -3.564 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.690 -3.951 -5.078 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.942 -6.073 -3.443 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.455 -6.127 -5.126 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.072 -7.296 -2.902 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.527 -7.248 -4.567 1.00 0.00 H new ATOM 436 N ARG A 31 -5.380 -4.606 -1.123 1.00 0.00 N ATOM 437 CA ARG A 31 -5.626 -4.297 0.276 1.00 0.00 C ATOM 438 C ARG A 31 -4.384 -3.663 0.905 1.00 0.00 C ATOM 439 O ARG A 31 -4.493 -2.722 1.690 1.00 0.00 O ATOM 440 CB ARG A 31 -6.000 -5.557 1.061 1.00 0.00 C ATOM 441 CG ARG A 31 -7.412 -6.026 0.703 1.00 0.00 C ATOM 442 CD ARG A 31 -7.871 -7.146 1.639 1.00 0.00 C ATOM 443 NE ARG A 31 -8.980 -7.902 1.018 1.00 0.00 N ATOM 444 CZ ARG A 31 -10.269 -7.545 1.095 1.00 0.00 C ATOM 445 NH1 ARG A 31 -10.619 -6.440 1.767 1.00 0.00 N ATOM 446 NH2 ARG A 31 -11.209 -8.293 0.499 1.00 0.00 N ATOM 0 H ARG A 31 -5.827 -5.460 -1.456 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.459 -3.595 0.319 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.284 -6.350 0.846 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.940 -5.355 2.130 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.105 -5.187 0.767 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.432 -6.378 -0.328 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.038 -7.816 1.853 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.195 -6.726 2.591 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.749 -8.749 0.498 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.904 -5.871 2.220 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.600 -6.168 1.826 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.943 -9.134 -0.013 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.190 -8.021 0.558 1.00 0.00 H new ATOM 460 N ILE A 32 -3.232 -4.204 0.538 1.00 0.00 N ATOM 461 CA ILE A 32 -1.971 -3.702 1.057 1.00 0.00 C ATOM 462 C ILE A 32 -1.652 -2.358 0.398 1.00 0.00 C ATOM 463 O ILE A 32 -1.566 -1.335 1.076 1.00 0.00 O ATOM 464 CB ILE A 32 -0.867 -4.748 0.886 1.00 0.00 C ATOM 465 CG1 ILE A 32 -1.304 -6.103 1.447 1.00 0.00 C ATOM 466 CG2 ILE A 32 0.446 -4.266 1.507 1.00 0.00 C ATOM 467 CD1 ILE A 32 -0.295 -7.196 1.089 1.00 0.00 C ATOM 0 H ILE A 32 -3.145 -4.985 -0.112 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.045 -3.522 2.130 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.687 -4.884 -0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.405 -6.037 2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.285 -6.365 1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.214 -5.028 1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.761 -3.343 1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.300 -4.084 2.572 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.630 -8.149 1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.215 -7.276 0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.679 -6.943 1.507 1.00 0.00 H new ATOM 479 N ILE A 33 -1.484 -2.404 -0.915 1.00 0.00 N ATOM 480 CA ILE A 33 -1.176 -1.203 -1.673 1.00 0.00 C ATOM 481 C ILE A 33 -2.046 -0.050 -1.169 1.00 0.00 C ATOM 482 O ILE A 33 -1.573 1.077 -1.034 1.00 0.00 O ATOM 483 CB ILE A 33 -1.313 -1.466 -3.174 1.00 0.00 C ATOM 484 CG1 ILE A 33 -0.287 -2.498 -3.646 1.00 0.00 C ATOM 485 CG2 ILE A 33 -1.223 -0.163 -3.970 1.00 0.00 C ATOM 486 CD1 ILE A 33 -0.711 -3.126 -4.975 1.00 0.00 C ATOM 0 H ILE A 33 -1.555 -3.254 -1.474 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.137 -0.911 -1.518 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.301 -1.887 -3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.687 -2.022 -3.759 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.176 -3.276 -2.891 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.323 -0.379 -5.034 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.023 0.509 -3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.259 0.310 -3.785 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.036 -3.856 -5.287 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.674 -3.622 -4.852 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.798 -2.348 -5.734 1.00 0.00 H new ATOM 498 N ALA A 34 -3.304 -0.373 -0.903 1.00 0.00 N ATOM 499 CA ALA A 34 -4.245 0.622 -0.417 1.00 0.00 C ATOM 500 C ALA A 34 -3.870 1.016 1.013 1.00 0.00 C ATOM 501 O ALA A 34 -3.793 2.201 1.335 1.00 0.00 O ATOM 502 CB ALA A 34 -5.668 0.070 -0.516 1.00 0.00 C ATOM 0 H ALA A 34 -3.693 -1.309 -1.015 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.202 1.523 -1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.374 0.816 -0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.895 -0.167 -1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.751 -0.833 0.088 1.00 0.00 H new ATOM 508 N ALA A 35 -3.647 0.000 1.834 1.00 0.00 N ATOM 509 CA ALA A 35 -3.282 0.225 3.222 1.00 0.00 C ATOM 510 C ALA A 35 -2.186 1.290 3.291 1.00 0.00 C ATOM 511 O ALA A 35 -2.145 2.084 4.229 1.00 0.00 O ATOM 512 CB ALA A 35 -2.850 -1.098 3.857 1.00 0.00 C ATOM 0 H ALA A 35 -3.712 -0.981 1.564 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.137 0.595 3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.576 -0.929 4.898 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.673 -1.811 3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.992 -1.498 3.316 1.00 0.00 H new ATOM 518 N ILE A 36 -1.325 1.273 2.284 1.00 0.00 N ATOM 519 CA ILE A 36 -0.232 2.228 2.218 1.00 0.00 C ATOM 520 C ILE A 36 -0.766 3.576 1.731 1.00 0.00 C ATOM 521 O ILE A 36 -0.305 4.627 2.173 1.00 0.00 O ATOM 522 CB ILE A 36 0.912 1.675 1.365 1.00 0.00 C ATOM 523 CG1 ILE A 36 1.538 0.442 2.020 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.951 2.759 1.072 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.342 -0.370 1.003 1.00 0.00 C ATOM 0 H ILE A 36 -1.362 0.613 1.507 1.00 0.00 H new ATOM 0 HA ILE A 36 0.190 2.392 3.209 1.00 0.00 H new ATOM 0 HB ILE A 36 0.501 1.356 0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.187 0.751 2.839 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.755 -0.182 2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.753 2.340 0.464 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.478 3.580 0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.363 3.131 2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.776 -1.241 1.494 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.685 -0.698 0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.139 0.249 0.591 1.00 0.00 H new ATOM 537 N TRP A 37 -1.732 3.502 0.826 1.00 0.00 N ATOM 538 CA TRP A 37 -2.334 4.704 0.274 1.00 0.00 C ATOM 539 C TRP A 37 -2.952 5.496 1.428 1.00 0.00 C ATOM 540 O TRP A 37 -2.759 6.706 1.528 1.00 0.00 O ATOM 541 CB TRP A 37 -3.344 4.357 -0.822 1.00 0.00 C ATOM 542 CG TRP A 37 -2.711 3.791 -2.095 1.00 0.00 C ATOM 543 CD1 TRP A 37 -1.474 3.302 -2.254 1.00 0.00 C ATOM 544 CD2 TRP A 37 -3.339 3.676 -3.389 1.00 0.00 C ATOM 545 NE1 TRP A 37 -1.260 2.881 -3.550 1.00 0.00 N ATOM 546 CE2 TRP A 37 -2.430 3.116 -4.263 1.00 0.00 C ATOM 547 CE3 TRP A 37 -4.633 4.033 -3.807 1.00 0.00 C ATOM 548 CZ2 TRP A 37 -2.717 2.863 -5.609 1.00 0.00 C ATOM 549 CZ3 TRP A 37 -4.904 3.774 -5.156 1.00 0.00 C ATOM 550 CH2 TRP A 37 -3.999 3.211 -6.049 1.00 0.00 C ATOM 0 H TRP A 37 -2.112 2.628 0.462 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.581 5.326 -0.210 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.056 3.631 -0.429 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.910 5.253 -1.077 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.737 3.245 -1.467 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.401 2.472 -3.918 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.360 4.472 -3.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -1.988 2.423 -6.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.885 4.029 -5.529 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.284 3.043 -7.077 1.00 0.00 H new ATOM 561 N HIS A 38 -3.683 4.780 2.270 1.00 0.00 N ATOM 562 CA HIS A 38 -4.331 5.401 3.413 1.00 0.00 C ATOM 563 C HIS A 38 -3.275 5.807 4.443 1.00 0.00 C ATOM 564 O HIS A 38 -3.143 6.985 4.770 1.00 0.00 O ATOM 565 CB HIS A 38 -5.404 4.479 3.996 1.00 0.00 C ATOM 566 CG HIS A 38 -5.793 4.812 5.417 1.00 0.00 C ATOM 567 ND1 HIS A 38 -6.423 3.906 6.253 1.00 0.00 N ATOM 568 CD2 HIS A 38 -5.634 5.957 6.140 1.00 0.00 C ATOM 569 CE1 HIS A 38 -6.630 4.492 7.423 1.00 0.00 C ATOM 570 NE2 HIS A 38 -6.141 5.763 7.351 1.00 0.00 N ATOM 0 H HIS A 38 -3.841 3.776 2.184 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.847 6.307 3.096 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.292 4.528 3.366 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.044 3.451 3.960 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.173 6.868 5.787 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.103 4.042 8.283 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.162 6.451 8.104 1.00 0.00 H new ATOM 578 N TYR A 39 -2.550 4.808 4.926 1.00 0.00 N ATOM 579 CA TYR A 39 -1.510 5.047 5.912 1.00 0.00 C ATOM 580 C TYR A 39 -0.696 6.294 5.560 1.00 0.00 C ATOM 581 O TYR A 39 -0.534 7.188 6.389 1.00 0.00 O ATOM 582 CB TYR A 39 -0.593 3.823 5.862 1.00 0.00 C ATOM 583 CG TYR A 39 0.616 3.913 6.796 1.00 0.00 C ATOM 584 CD1 TYR A 39 0.429 3.998 8.160 1.00 0.00 C ATOM 585 CD2 TYR A 39 1.893 3.910 6.273 1.00 0.00 C ATOM 586 CE1 TYR A 39 1.567 4.082 9.039 1.00 0.00 C ATOM 587 CE2 TYR A 39 3.031 3.994 7.151 1.00 0.00 C ATOM 588 CZ TYR A 39 2.812 4.077 8.491 1.00 0.00 C ATOM 589 OH TYR A 39 3.887 4.157 9.320 1.00 0.00 O ATOM 0 H TYR A 39 -2.663 3.832 4.653 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.945 5.204 6.899 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.173 2.937 6.119 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.240 3.688 4.840 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.571 4.002 8.569 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.039 3.845 5.205 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.435 4.147 10.109 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.036 3.991 6.755 1.00 0.00 H new ATOM 0 HH TYR A 39 4.711 4.142 8.790 1.00 0.00 H new ATOM 599 N VAL A 40 -0.206 6.313 4.329 1.00 0.00 N ATOM 600 CA VAL A 40 0.587 7.435 3.857 1.00 0.00 C ATOM 601 C VAL A 40 -0.153 8.740 4.159 1.00 0.00 C ATOM 602 O VAL A 40 0.345 9.583 4.904 1.00 0.00 O ATOM 603 CB VAL A 40 0.909 7.261 2.372 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.439 8.563 1.769 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.899 6.114 2.157 1.00 0.00 C ATOM 0 H VAL A 40 -0.343 5.569 3.644 1.00 0.00 H new ATOM 0 HA VAL A 40 1.542 7.474 4.380 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.017 7.006 1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.660 8.411 0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.687 9.345 1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.348 8.862 2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.111 6.011 1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.824 6.327 2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.468 5.186 2.532 1.00 0.00 H new ATOM 615 N LYS A 41 -1.331 8.866 3.565 1.00 0.00 N ATOM 616 CA LYS A 41 -2.144 10.054 3.760 1.00 0.00 C ATOM 617 C LYS A 41 -2.366 10.274 5.258 1.00 0.00 C ATOM 618 O LYS A 41 -2.148 11.372 5.767 1.00 0.00 O ATOM 619 CB LYS A 41 -3.441 9.953 2.955 1.00 0.00 C ATOM 620 CG LYS A 41 -3.344 10.755 1.655 1.00 0.00 C ATOM 621 CD LYS A 41 -4.730 10.998 1.055 1.00 0.00 C ATOM 622 CE LYS A 41 -5.402 12.210 1.703 1.00 0.00 C ATOM 623 NZ LYS A 41 -6.537 12.677 0.874 1.00 0.00 N ATOM 0 H LYS A 41 -1.742 8.165 2.949 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.628 10.936 3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.651 8.908 2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.274 10.322 3.553 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.855 11.710 1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.723 10.218 0.938 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.642 11.157 -0.020 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.352 10.114 1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.756 11.948 2.700 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.677 13.015 1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.983 13.500 1.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.190 12.946 -0.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.236 11.913 0.780 1.00 0.00 H new ATOM 637 N ALA A 42 -2.797 9.211 5.922 1.00 0.00 N ATOM 638 CA ALA A 42 -3.051 9.275 7.352 1.00 0.00 C ATOM 639 C ALA A 42 -1.830 9.872 8.056 1.00 0.00 C ATOM 640 O ALA A 42 -1.970 10.593 9.042 1.00 0.00 O ATOM 641 CB ALA A 42 -3.398 7.878 7.871 1.00 0.00 C ATOM 0 H ALA A 42 -2.977 8.301 5.497 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.902 9.922 7.563 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.589 7.925 8.943 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.288 7.511 7.360 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.565 7.202 7.680 1.00 0.00 H new ATOM 647 N ARG A 43 -0.662 9.548 7.522 1.00 0.00 N ATOM 648 CA ARG A 43 0.582 10.043 8.086 1.00 0.00 C ATOM 649 C ARG A 43 1.036 11.303 7.347 1.00 0.00 C ATOM 650 O ARG A 43 2.227 11.607 7.304 1.00 0.00 O ATOM 651 CB ARG A 43 1.684 8.986 8.003 1.00 0.00 C ATOM 652 CG ARG A 43 1.259 7.693 8.702 1.00 0.00 C ATOM 653 CD ARG A 43 1.815 7.631 10.126 1.00 0.00 C ATOM 654 NE ARG A 43 1.193 8.684 10.959 1.00 0.00 N ATOM 655 CZ ARG A 43 1.730 9.164 12.089 1.00 0.00 C ATOM 656 NH1 ARG A 43 2.903 8.687 12.528 1.00 0.00 N ATOM 657 NH2 ARG A 43 1.095 10.120 12.780 1.00 0.00 N ATOM 0 H ARG A 43 -0.551 8.948 6.704 1.00 0.00 H new ATOM 0 HA ARG A 43 0.399 10.279 9.134 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.916 8.779 6.958 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.595 9.369 8.462 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.171 7.631 8.730 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.613 6.834 8.132 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.619 6.650 10.559 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.897 7.761 10.109 1.00 0.00 H new ATOM 0 HE ARG A 43 0.299 9.069 10.654 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.387 7.959 12.002 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.312 9.052 13.388 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.202 10.483 12.446 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.504 10.485 13.640 1.00 0.00 H new ATOM 671 N LYS A 44 0.063 12.003 6.783 1.00 0.00 N ATOM 672 CA LYS A 44 0.348 13.224 6.048 1.00 0.00 C ATOM 673 C LYS A 44 1.603 13.020 5.196 1.00 0.00 C ATOM 674 O LYS A 44 2.340 13.969 4.934 1.00 0.00 O ATOM 675 CB LYS A 44 0.439 14.416 7.002 1.00 0.00 C ATOM 676 CG LYS A 44 -0.873 15.203 7.025 1.00 0.00 C ATOM 677 CD LYS A 44 -0.983 16.118 5.804 1.00 0.00 C ATOM 678 CE LYS A 44 -2.376 16.745 5.713 1.00 0.00 C ATOM 679 NZ LYS A 44 -2.878 16.695 4.322 1.00 0.00 N ATOM 0 H LYS A 44 -0.924 11.748 6.820 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.468 13.456 5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.674 14.065 8.007 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.254 15.071 6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.716 14.512 7.044 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.929 15.798 7.936 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.230 16.904 5.865 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.777 15.548 4.898 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.063 16.215 6.373 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.339 17.779 6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.824 17.125 4.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.231 17.220 3.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.933 15.705 4.008 1.00 0.00 H new ATOM 693 N LEU A 45 1.807 11.776 4.789 1.00 0.00 N ATOM 694 CA LEU A 45 2.960 11.435 3.973 1.00 0.00 C ATOM 695 C LEU A 45 2.712 11.889 2.533 1.00 0.00 C ATOM 696 O LEU A 45 3.648 12.250 1.822 1.00 0.00 O ATOM 697 CB LEU A 45 3.286 9.946 4.101 1.00 0.00 C ATOM 698 CG LEU A 45 4.029 9.529 5.372 1.00 0.00 C ATOM 699 CD1 LEU A 45 4.058 8.006 5.516 1.00 0.00 C ATOM 700 CD2 LEU A 45 5.434 10.135 5.409 1.00 0.00 C ATOM 0 H LEU A 45 1.193 10.992 5.009 1.00 0.00 H new ATOM 0 HA LEU A 45 3.846 11.963 4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.353 9.384 4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.885 9.650 3.240 1.00 0.00 H new ATOM 0 HG LEU A 45 3.485 9.923 6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.592 7.737 6.427 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.038 7.626 5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.565 7.569 4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.941 9.823 6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.001 9.792 4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.362 11.222 5.387 1.00 0.00 H new ATOM 712 N GLN A 46 1.445 11.855 2.146 1.00 0.00 N ATOM 713 CA GLN A 46 1.062 12.258 0.803 1.00 0.00 C ATOM 714 C GLN A 46 1.834 13.510 0.384 1.00 0.00 C ATOM 715 O GLN A 46 1.923 14.472 1.145 1.00 0.00 O ATOM 716 CB GLN A 46 -0.448 12.487 0.709 1.00 0.00 C ATOM 717 CG GLN A 46 -0.861 12.838 -0.721 1.00 0.00 C ATOM 718 CD GLN A 46 -2.089 13.751 -0.729 1.00 0.00 C ATOM 719 OE1 GLN A 46 -2.714 14.002 0.288 1.00 0.00 O ATOM 720 NE2 GLN A 46 -2.398 14.231 -1.930 1.00 0.00 N ATOM 0 H GLN A 46 0.671 11.555 2.739 1.00 0.00 H new ATOM 0 HA GLN A 46 1.317 11.451 0.116 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.976 11.591 1.034 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.740 13.292 1.384 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.034 13.331 -1.232 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.079 11.925 -1.275 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.832 13.980 -2.741 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.201 14.850 -2.041 1.00 0.00 H new ATOM 729 N ASN A 47 2.373 13.458 -0.825 1.00 0.00 N ATOM 730 CA ASN A 47 3.135 14.576 -1.354 1.00 0.00 C ATOM 731 C ASN A 47 2.175 15.701 -1.746 1.00 0.00 C ATOM 732 O ASN A 47 1.168 15.460 -2.411 1.00 0.00 O ATOM 733 CB ASN A 47 3.919 14.167 -2.603 1.00 0.00 C ATOM 734 CG ASN A 47 5.416 14.069 -2.302 1.00 0.00 C ATOM 735 OD1 ASN A 47 5.883 13.163 -1.632 1.00 0.00 O ATOM 736 ND2 ASN A 47 6.140 15.050 -2.834 1.00 0.00 N ATOM 0 H ASN A 47 2.297 12.658 -1.454 1.00 0.00 H new ATOM 0 HA ASN A 47 3.832 14.904 -0.583 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.554 13.207 -2.968 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.751 14.895 -3.397 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.150 15.074 -2.691 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.686 15.778 -3.385 1.00 0.00 H new ATOM 743 N PRO A 48 2.530 16.938 -1.308 1.00 0.00 N ATOM 744 CA PRO A 48 1.712 18.101 -1.606 1.00 0.00 C ATOM 745 C PRO A 48 1.882 18.532 -3.064 1.00 0.00 C ATOM 746 O PRO A 48 0.931 18.994 -3.694 1.00 0.00 O ATOM 747 CB PRO A 48 2.162 19.164 -0.616 1.00 0.00 C ATOM 748 CG PRO A 48 3.525 18.715 -0.115 1.00 0.00 C ATOM 749 CD PRO A 48 3.715 17.262 -0.519 1.00 0.00 C ATOM 0 HA PRO A 48 0.645 17.903 -1.499 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.224 20.142 -1.094 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.454 19.256 0.207 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.312 19.336 -0.542 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.588 18.821 0.968 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.627 17.129 -1.101 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.798 16.616 0.355 1.00 0.00 H new ATOM 757 N ASN A 49 3.100 18.365 -3.559 1.00 0.00 N ATOM 758 CA ASN A 49 3.406 18.731 -4.931 1.00 0.00 C ATOM 759 C ASN A 49 2.894 17.639 -5.872 1.00 0.00 C ATOM 760 O ASN A 49 2.064 17.903 -6.741 1.00 0.00 O ATOM 761 CB ASN A 49 4.916 18.865 -5.141 1.00 0.00 C ATOM 762 CG ASN A 49 5.412 20.241 -4.690 1.00 0.00 C ATOM 763 OD1 ASN A 49 4.667 21.061 -4.178 1.00 0.00 O ATOM 764 ND2 ASN A 49 6.708 20.446 -4.908 1.00 0.00 N ATOM 0 H ASN A 49 3.886 17.981 -3.034 1.00 0.00 H new ATOM 0 HA ASN A 49 2.926 19.687 -5.140 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.435 18.086 -4.582 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.155 18.715 -6.194 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.136 21.333 -4.642 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.274 19.716 -5.341 1.00 0.00 H new ATOM 771 N ASP A 50 3.409 16.436 -5.667 1.00 0.00 N ATOM 772 CA ASP A 50 3.014 15.303 -6.487 1.00 0.00 C ATOM 773 C ASP A 50 1.972 14.473 -5.733 1.00 0.00 C ATOM 774 O ASP A 50 2.279 13.868 -4.707 1.00 0.00 O ATOM 775 CB ASP A 50 4.210 14.398 -6.790 1.00 0.00 C ATOM 776 CG ASP A 50 5.269 15.012 -7.708 1.00 0.00 C ATOM 777 OD1 ASP A 50 4.914 15.979 -8.415 1.00 0.00 O ATOM 778 OD2 ASP A 50 6.409 14.500 -7.681 1.00 0.00 O ATOM 0 H ASP A 50 4.097 16.221 -4.945 1.00 0.00 H new ATOM 0 HA ASP A 50 2.608 15.689 -7.422 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.684 14.120 -5.849 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.844 13.478 -7.246 1.00 0.00 H new ATOM 783 N PRO A 51 0.729 14.471 -6.286 1.00 0.00 N ATOM 784 CA PRO A 51 -0.359 13.726 -5.678 1.00 0.00 C ATOM 785 C PRO A 51 -0.206 12.225 -5.933 1.00 0.00 C ATOM 786 O PRO A 51 -0.875 11.412 -5.297 1.00 0.00 O ATOM 787 CB PRO A 51 -1.624 14.306 -6.290 1.00 0.00 C ATOM 788 CG PRO A 51 -1.182 15.028 -7.553 1.00 0.00 C ATOM 789 CD PRO A 51 0.329 15.176 -7.501 1.00 0.00 C ATOM 0 HA PRO A 51 -0.378 13.821 -4.592 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.343 13.519 -6.521 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -2.113 14.992 -5.599 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.480 14.466 -8.438 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.659 16.006 -7.621 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.800 14.743 -8.383 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.623 16.225 -7.465 1.00 0.00 H new ATOM 797 N SER A 52 0.679 11.903 -6.865 1.00 0.00 N ATOM 798 CA SER A 52 0.929 10.514 -7.212 1.00 0.00 C ATOM 799 C SER A 52 2.017 9.936 -6.305 1.00 0.00 C ATOM 800 O SER A 52 2.040 8.734 -6.046 1.00 0.00 O ATOM 801 CB SER A 52 1.334 10.378 -8.681 1.00 0.00 C ATOM 802 OG SER A 52 0.853 9.166 -9.257 1.00 0.00 O ATOM 0 H SER A 52 1.232 12.580 -7.391 1.00 0.00 H new ATOM 0 HA SER A 52 0.006 9.953 -7.064 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.945 11.226 -9.244 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.420 10.412 -8.762 1.00 0.00 H new ATOM 0 HG SER A 52 1.131 9.117 -10.196 1.00 0.00 H new ATOM 808 N PHE A 53 2.893 10.819 -5.848 1.00 0.00 N ATOM 809 CA PHE A 53 3.981 10.411 -4.976 1.00 0.00 C ATOM 810 C PHE A 53 3.645 10.696 -3.510 1.00 0.00 C ATOM 811 O PHE A 53 2.563 11.193 -3.203 1.00 0.00 O ATOM 812 CB PHE A 53 5.207 11.235 -5.375 1.00 0.00 C ATOM 813 CG PHE A 53 6.247 10.452 -6.180 1.00 0.00 C ATOM 814 CD1 PHE A 53 7.057 9.557 -5.555 1.00 0.00 C ATOM 815 CD2 PHE A 53 6.361 10.653 -7.520 1.00 0.00 C ATOM 816 CE1 PHE A 53 8.022 8.831 -6.302 1.00 0.00 C ATOM 817 CE2 PHE A 53 7.326 9.927 -8.267 1.00 0.00 C ATOM 818 CZ PHE A 53 8.136 9.031 -7.642 1.00 0.00 C ATOM 0 H PHE A 53 2.871 11.815 -6.065 1.00 0.00 H new ATOM 0 HA PHE A 53 4.159 9.341 -5.079 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.880 12.094 -5.961 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.679 11.626 -4.473 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.967 9.398 -4.491 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.718 11.365 -8.016 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.666 8.120 -5.806 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.417 10.086 -9.331 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.870 8.478 -8.210 1.00 0.00 H new ATOM 828 N PHE A 54 4.594 10.369 -2.645 1.00 0.00 N ATOM 829 CA PHE A 54 4.413 10.584 -1.219 1.00 0.00 C ATOM 830 C PHE A 54 5.738 10.438 -0.470 1.00 0.00 C ATOM 831 O PHE A 54 6.637 9.731 -0.923 1.00 0.00 O ATOM 832 CB PHE A 54 3.441 9.510 -0.726 1.00 0.00 C ATOM 833 CG PHE A 54 3.873 8.080 -1.056 1.00 0.00 C ATOM 834 CD1 PHE A 54 4.952 7.535 -0.434 1.00 0.00 C ATOM 835 CD2 PHE A 54 3.177 7.354 -1.971 1.00 0.00 C ATOM 836 CE1 PHE A 54 5.354 6.208 -0.740 1.00 0.00 C ATOM 837 CE2 PHE A 54 3.578 6.027 -2.278 1.00 0.00 C ATOM 838 CZ PHE A 54 4.658 5.482 -1.655 1.00 0.00 C ATOM 0 H PHE A 54 5.490 9.957 -2.904 1.00 0.00 H new ATOM 0 HA PHE A 54 4.034 11.590 -1.039 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.329 9.604 0.354 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.460 9.693 -1.166 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.504 8.112 0.293 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.319 7.787 -2.464 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.212 5.776 -0.246 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.026 5.450 -3.006 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.963 4.472 -1.887 1.00 0.00 H new ATOM 848 N ASN A 55 5.818 11.119 0.664 1.00 0.00 N ATOM 849 CA ASN A 55 7.019 11.074 1.481 1.00 0.00 C ATOM 850 C ASN A 55 7.016 9.791 2.314 1.00 0.00 C ATOM 851 O ASN A 55 5.956 9.255 2.632 1.00 0.00 O ATOM 852 CB ASN A 55 7.076 12.263 2.442 1.00 0.00 C ATOM 853 CG ASN A 55 7.903 13.406 1.851 1.00 0.00 C ATOM 854 OD1 ASN A 55 9.082 13.560 2.124 1.00 0.00 O ATOM 855 ND2 ASN A 55 7.220 14.198 1.029 1.00 0.00 N ATOM 0 H ASN A 55 5.071 11.705 1.036 1.00 0.00 H new ATOM 0 HA ASN A 55 7.882 11.107 0.815 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.066 12.612 2.654 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.510 11.948 3.391 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.682 14.991 0.584 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.234 14.012 0.844 1.00 0.00 H new ATOM 862 N CYS A 56 8.216 9.336 2.645 1.00 0.00 N ATOM 863 CA CYS A 56 8.365 8.126 3.436 1.00 0.00 C ATOM 864 C CYS A 56 8.475 8.525 4.909 1.00 0.00 C ATOM 865 O CYS A 56 9.117 9.520 5.240 1.00 0.00 O ATOM 866 CB CYS A 56 9.566 7.295 2.979 1.00 0.00 C ATOM 867 SG CYS A 56 11.120 8.074 3.552 1.00 0.00 S ATOM 0 H CYS A 56 9.094 9.783 2.380 1.00 0.00 H new ATOM 0 HA CYS A 56 7.492 7.489 3.297 1.00 0.00 H new ATOM 0 HB2 CYS A 56 9.490 6.282 3.375 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.570 7.213 1.892 1.00 0.00 H new ATOM 0 HG CYS A 56 10.847 8.991 4.433 1.00 0.00 H new ATOM 873 N ASP A 57 7.838 7.728 5.754 1.00 0.00 N ATOM 874 CA ASP A 57 7.856 7.986 7.184 1.00 0.00 C ATOM 875 C ASP A 57 9.168 7.466 7.775 1.00 0.00 C ATOM 876 O ASP A 57 10.021 8.250 8.188 1.00 0.00 O ATOM 877 CB ASP A 57 6.703 7.268 7.888 1.00 0.00 C ATOM 878 CG ASP A 57 5.649 8.188 8.507 1.00 0.00 C ATOM 879 OD1 ASP A 57 5.347 9.217 7.865 1.00 0.00 O ATOM 880 OD2 ASP A 57 5.169 7.842 9.608 1.00 0.00 O ATOM 0 H ASP A 57 7.306 6.903 5.476 1.00 0.00 H new ATOM 0 HA ASP A 57 7.756 9.061 7.334 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.213 6.610 7.171 1.00 0.00 H new ATOM 0 HB3 ASP A 57 7.115 6.633 8.673 1.00 0.00 H new ATOM 885 N ALA A 58 9.288 6.147 7.797 1.00 0.00 N ATOM 886 CA ALA A 58 10.482 5.513 8.331 1.00 0.00 C ATOM 887 C ALA A 58 10.363 3.996 8.172 1.00 0.00 C ATOM 888 O ALA A 58 11.353 3.316 7.906 1.00 0.00 O ATOM 889 CB ALA A 58 10.675 5.933 9.789 1.00 0.00 C ATOM 0 H ALA A 58 8.578 5.500 7.454 1.00 0.00 H new ATOM 0 HA ALA A 58 11.366 5.834 7.780 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.570 5.457 10.189 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.784 7.016 9.844 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.808 5.625 10.374 1.00 0.00 H new ATOM 895 N ALA A 59 9.142 3.509 8.343 1.00 0.00 N ATOM 896 CA ALA A 59 8.881 2.085 8.222 1.00 0.00 C ATOM 897 C ALA A 59 8.663 1.734 6.749 1.00 0.00 C ATOM 898 O ALA A 59 8.831 0.582 6.351 1.00 0.00 O ATOM 899 CB ALA A 59 7.681 1.710 9.094 1.00 0.00 C ATOM 0 H ALA A 59 8.323 4.076 8.564 1.00 0.00 H new ATOM 0 HA ALA A 59 9.735 1.507 8.576 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.485 0.642 9.003 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.897 1.952 10.134 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.804 2.269 8.766 1.00 0.00 H new ATOM 905 N LEU A 60 8.294 2.748 5.980 1.00 0.00 N ATOM 906 CA LEU A 60 8.052 2.560 4.560 1.00 0.00 C ATOM 907 C LEU A 60 9.389 2.383 3.838 1.00 0.00 C ATOM 908 O LEU A 60 9.440 1.816 2.748 1.00 0.00 O ATOM 909 CB LEU A 60 7.201 3.705 4.006 1.00 0.00 C ATOM 910 CG LEU A 60 5.687 3.548 4.154 1.00 0.00 C ATOM 911 CD1 LEU A 60 4.968 4.867 3.864 1.00 0.00 C ATOM 912 CD2 LEU A 60 5.166 2.406 3.279 1.00 0.00 C ATOM 0 H LEU A 60 8.157 3.702 6.314 1.00 0.00 H new ATOM 0 HA LEU A 60 7.474 1.652 4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.501 4.627 4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.432 3.824 2.947 1.00 0.00 H new ATOM 0 HG LEU A 60 5.470 3.285 5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.893 4.728 3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.310 5.629 4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.188 5.185 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.087 2.316 3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.395 2.615 2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.645 1.473 3.576 1.00 0.00 H new ATOM 924 N GLN A 61 10.440 2.878 4.476 1.00 0.00 N ATOM 925 CA GLN A 61 11.774 2.781 3.909 1.00 0.00 C ATOM 926 C GLN A 61 12.233 1.322 3.879 1.00 0.00 C ATOM 927 O GLN A 61 12.425 0.750 2.807 1.00 0.00 O ATOM 928 CB GLN A 61 12.764 3.652 4.685 1.00 0.00 C ATOM 929 CG GLN A 61 13.079 4.939 3.920 1.00 0.00 C ATOM 930 CD GLN A 61 14.562 5.008 3.550 1.00 0.00 C ATOM 931 OE1 GLN A 61 15.377 4.216 3.994 1.00 0.00 O ATOM 932 NE2 GLN A 61 14.866 5.998 2.715 1.00 0.00 N ATOM 0 H GLN A 61 10.394 3.347 5.380 1.00 0.00 H new ATOM 0 HA GLN A 61 11.740 3.152 2.885 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.349 3.898 5.662 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.684 3.095 4.861 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.472 4.986 3.016 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.812 5.803 4.529 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.135 6.626 2.381 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.830 6.129 2.409 1.00 0.00 H new ATOM 941 N LYS A 62 12.397 0.762 5.068 1.00 0.00 N ATOM 942 CA LYS A 62 12.830 -0.620 5.191 1.00 0.00 C ATOM 943 C LYS A 62 12.148 -1.462 4.111 1.00 0.00 C ATOM 944 O LYS A 62 12.713 -2.447 3.638 1.00 0.00 O ATOM 945 CB LYS A 62 12.591 -1.132 6.613 1.00 0.00 C ATOM 946 CG LYS A 62 13.825 -0.911 7.491 1.00 0.00 C ATOM 947 CD LYS A 62 14.078 -2.119 8.394 1.00 0.00 C ATOM 948 CE LYS A 62 15.474 -2.698 8.156 1.00 0.00 C ATOM 949 NZ LYS A 62 16.434 -2.160 9.145 1.00 0.00 N ATOM 0 H LYS A 62 12.238 1.240 5.955 1.00 0.00 H new ATOM 0 HA LYS A 62 13.904 -0.699 5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.734 -0.619 7.049 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.346 -2.194 6.585 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.697 -0.734 6.861 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.686 -0.019 8.101 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.976 -1.825 9.438 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.326 -2.884 8.203 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.440 -3.785 8.227 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.808 -2.455 7.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.376 -2.563 8.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.479 -1.125 9.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.123 -2.413 10.104 1.00 0.00 H new ATOM 963 N VAL A 63 10.943 -1.044 3.753 1.00 0.00 N ATOM 964 CA VAL A 63 10.178 -1.747 2.738 1.00 0.00 C ATOM 965 C VAL A 63 10.741 -1.411 1.356 1.00 0.00 C ATOM 966 O VAL A 63 11.309 -2.273 0.687 1.00 0.00 O ATOM 967 CB VAL A 63 8.691 -1.410 2.876 1.00 0.00 C ATOM 968 CG1 VAL A 63 7.877 -2.052 1.751 1.00 0.00 C ATOM 969 CG2 VAL A 63 8.159 -1.831 4.247 1.00 0.00 C ATOM 0 H VAL A 63 10.478 -0.227 4.148 1.00 0.00 H new ATOM 0 HA VAL A 63 10.267 -2.825 2.872 1.00 0.00 H new ATOM 0 HB VAL A 63 8.583 -0.329 2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.824 -1.797 1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.231 -1.682 0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.995 -3.135 1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.101 -1.580 4.319 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.287 -2.906 4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.710 -1.307 5.028 1.00 0.00 H new ATOM 979 N PHE A 64 10.566 -0.156 0.970 1.00 0.00 N ATOM 980 CA PHE A 64 11.050 0.305 -0.320 1.00 0.00 C ATOM 981 C PHE A 64 12.551 0.594 -0.271 1.00 0.00 C ATOM 982 O PHE A 64 13.341 -0.090 -0.919 1.00 0.00 O ATOM 983 CB PHE A 64 10.303 1.601 -0.641 1.00 0.00 C ATOM 984 CG PHE A 64 8.783 1.442 -0.710 1.00 0.00 C ATOM 985 CD1 PHE A 64 8.226 0.615 -1.635 1.00 0.00 C ATOM 986 CD2 PHE A 64 7.988 2.128 0.155 1.00 0.00 C ATOM 987 CE1 PHE A 64 6.815 0.468 -1.699 1.00 0.00 C ATOM 988 CE2 PHE A 64 6.577 1.980 0.092 1.00 0.00 C ATOM 989 CZ PHE A 64 6.020 1.154 -0.834 1.00 0.00 C ATOM 0 H PHE A 64 10.095 0.556 1.528 1.00 0.00 H new ATOM 0 HA PHE A 64 10.879 -0.461 -1.077 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.546 2.346 0.117 1.00 0.00 H new ATOM 0 HB3 PHE A 64 10.661 1.988 -1.595 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.857 0.070 -2.321 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.430 2.785 0.889 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.373 -0.188 -2.434 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.946 2.524 0.780 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.947 1.043 -0.883 1.00 0.00 H new ATOM 999 N GLY A 65 12.900 1.610 0.505 1.00 0.00 N ATOM 1000 CA GLY A 65 14.293 1.999 0.648 1.00 0.00 C ATOM 1001 C GLY A 65 14.543 3.378 0.034 1.00 0.00 C ATOM 1002 O GLY A 65 15.690 3.802 -0.103 1.00 0.00 O ATOM 0 H GLY A 65 12.242 2.176 1.041 1.00 0.00 H new ATOM 0 HA2 GLY A 65 14.564 2.012 1.704 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.932 1.260 0.164 1.00 0.00 H new ATOM 1006 N GLU A 66 13.451 4.040 -0.319 1.00 0.00 N ATOM 1007 CA GLU A 66 13.538 5.362 -0.915 1.00 0.00 C ATOM 1008 C GLU A 66 12.858 6.396 -0.014 1.00 0.00 C ATOM 1009 O GLU A 66 12.109 6.037 0.894 1.00 0.00 O ATOM 1010 CB GLU A 66 12.928 5.372 -2.318 1.00 0.00 C ATOM 1011 CG GLU A 66 13.917 4.825 -3.349 1.00 0.00 C ATOM 1012 CD GLU A 66 15.251 5.570 -3.278 1.00 0.00 C ATOM 1013 OE1 GLU A 66 15.214 6.814 -3.399 1.00 0.00 O ATOM 1014 OE2 GLU A 66 16.278 4.879 -3.105 1.00 0.00 O ATOM 0 H GLU A 66 12.502 3.686 -0.204 1.00 0.00 H new ATOM 0 HA GLU A 66 14.591 5.628 -1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.018 4.772 -2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.642 6.389 -2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.080 3.762 -3.173 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.495 4.921 -4.350 1.00 0.00 H new ATOM 1021 N GLU A 67 13.143 7.658 -0.296 1.00 0.00 N ATOM 1022 CA GLU A 67 12.569 8.746 0.477 1.00 0.00 C ATOM 1023 C GLU A 67 11.080 8.897 0.156 1.00 0.00 C ATOM 1024 O GLU A 67 10.270 9.136 1.050 1.00 0.00 O ATOM 1025 CB GLU A 67 13.320 10.055 0.224 1.00 0.00 C ATOM 1026 CG GLU A 67 13.198 10.483 -1.240 1.00 0.00 C ATOM 1027 CD GLU A 67 13.914 11.813 -1.484 1.00 0.00 C ATOM 1028 OE1 GLU A 67 13.294 12.855 -1.180 1.00 0.00 O ATOM 1029 OE2 GLU A 67 15.064 11.757 -1.969 1.00 0.00 O ATOM 0 H GLU A 67 13.764 7.952 -1.050 1.00 0.00 H new ATOM 0 HA GLU A 67 12.670 8.507 1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.922 10.838 0.870 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.371 9.931 0.484 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.623 9.713 -1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.146 10.578 -1.508 1.00 0.00 H new ATOM 1036 N LYS A 68 10.765 8.752 -1.123 1.00 0.00 N ATOM 1037 CA LYS A 68 9.389 8.869 -1.573 1.00 0.00 C ATOM 1038 C LYS A 68 9.132 7.850 -2.685 1.00 0.00 C ATOM 1039 O LYS A 68 10.061 7.429 -3.373 1.00 0.00 O ATOM 1040 CB LYS A 68 9.078 10.312 -1.976 1.00 0.00 C ATOM 1041 CG LYS A 68 10.170 10.873 -2.888 1.00 0.00 C ATOM 1042 CD LYS A 68 9.577 11.389 -4.201 1.00 0.00 C ATOM 1043 CE LYS A 68 8.807 12.692 -3.980 1.00 0.00 C ATOM 1044 NZ LYS A 68 9.744 13.817 -3.759 1.00 0.00 N ATOM 0 H LYS A 68 11.440 8.554 -1.862 1.00 0.00 H new ATOM 0 HA LYS A 68 8.701 8.634 -0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.116 10.351 -2.487 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.990 10.932 -1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.694 11.682 -2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.907 10.098 -3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.375 11.552 -4.925 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.912 10.637 -4.624 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.177 12.900 -4.845 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.145 12.589 -3.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.232 14.718 -3.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.155 13.744 -2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.504 13.780 -4.468 1.00 0.00 H new ATOM 1058 N LEU A 69 7.866 7.484 -2.827 1.00 0.00 N ATOM 1059 CA LEU A 69 7.476 6.522 -3.844 1.00 0.00 C ATOM 1060 C LEU A 69 6.142 6.951 -4.459 1.00 0.00 C ATOM 1061 O LEU A 69 5.485 7.859 -3.953 1.00 0.00 O ATOM 1062 CB LEU A 69 7.459 5.106 -3.265 1.00 0.00 C ATOM 1063 CG LEU A 69 8.317 4.072 -3.997 1.00 0.00 C ATOM 1064 CD1 LEU A 69 9.251 3.348 -3.026 1.00 0.00 C ATOM 1065 CD2 LEU A 69 7.443 3.096 -4.787 1.00 0.00 C ATOM 0 H LEU A 69 7.098 7.836 -2.255 1.00 0.00 H new ATOM 0 HA LEU A 69 8.209 6.502 -4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.790 5.155 -2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.428 4.752 -3.254 1.00 0.00 H new ATOM 0 HG LEU A 69 8.945 4.597 -4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.849 2.619 -3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.910 4.072 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.660 2.836 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.077 2.371 -5.298 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.772 2.574 -4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.856 3.646 -5.522 1.00 0.00 H new ATOM 1077 N LYS A 70 5.781 6.276 -5.541 1.00 0.00 N ATOM 1078 CA LYS A 70 4.538 6.576 -6.230 1.00 0.00 C ATOM 1079 C LYS A 70 3.404 5.760 -5.605 1.00 0.00 C ATOM 1080 O LYS A 70 3.648 4.728 -4.983 1.00 0.00 O ATOM 1081 CB LYS A 70 4.694 6.358 -7.736 1.00 0.00 C ATOM 1082 CG LYS A 70 5.940 7.069 -8.267 1.00 0.00 C ATOM 1083 CD LYS A 70 6.184 6.725 -9.738 1.00 0.00 C ATOM 1084 CE LYS A 70 7.674 6.511 -10.011 1.00 0.00 C ATOM 1085 NZ LYS A 70 7.874 5.900 -11.344 1.00 0.00 N ATOM 0 H LYS A 70 6.328 5.522 -5.957 1.00 0.00 H new ATOM 0 HA LYS A 70 4.279 7.628 -6.109 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.762 5.291 -7.947 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.810 6.730 -8.254 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.822 8.147 -8.157 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.808 6.781 -7.674 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.629 5.824 -10.001 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.806 7.528 -10.371 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.200 7.464 -9.959 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.102 5.868 -9.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.868 6.007 -11.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.633 4.889 -11.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.261 6.373 -12.038 1.00 0.00 H new ATOM 1099 N PHE A 71 2.189 6.255 -5.792 1.00 0.00 N ATOM 1100 CA PHE A 71 1.018 5.585 -5.254 1.00 0.00 C ATOM 1101 C PHE A 71 0.648 4.364 -6.099 1.00 0.00 C ATOM 1102 O PHE A 71 -0.195 3.562 -5.701 1.00 0.00 O ATOM 1103 CB PHE A 71 -0.134 6.591 -5.302 1.00 0.00 C ATOM 1104 CG PHE A 71 -0.230 7.487 -4.065 1.00 0.00 C ATOM 1105 CD1 PHE A 71 -0.392 6.932 -2.834 1.00 0.00 C ATOM 1106 CD2 PHE A 71 -0.152 8.839 -4.197 1.00 0.00 C ATOM 1107 CE1 PHE A 71 -0.480 7.763 -1.686 1.00 0.00 C ATOM 1108 CE2 PHE A 71 -0.241 9.670 -3.049 1.00 0.00 C ATOM 1109 CZ PHE A 71 -0.403 9.115 -1.818 1.00 0.00 C ATOM 0 H PHE A 71 1.991 7.112 -6.308 1.00 0.00 H new ATOM 0 HA PHE A 71 1.219 5.243 -4.239 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.017 7.219 -6.185 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.072 6.048 -5.419 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.454 5.859 -2.730 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -0.022 9.280 -5.174 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.608 7.322 -0.708 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.180 10.743 -3.153 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.471 9.747 -0.945 1.00 0.00 H new ATOM 1119 N THR A 72 1.297 4.262 -7.249 1.00 0.00 N ATOM 1120 CA THR A 72 1.047 3.153 -8.153 1.00 0.00 C ATOM 1121 C THR A 72 2.209 2.158 -8.111 1.00 0.00 C ATOM 1122 O THR A 72 1.995 0.947 -8.129 1.00 0.00 O ATOM 1123 CB THR A 72 0.791 3.728 -9.548 1.00 0.00 C ATOM 1124 OG1 THR A 72 1.742 4.781 -9.669 1.00 0.00 O ATOM 1125 CG2 THR A 72 -0.562 4.434 -9.650 1.00 0.00 C ATOM 0 H THR A 72 1.996 4.929 -7.576 1.00 0.00 H new ATOM 0 HA THR A 72 0.165 2.588 -7.851 1.00 0.00 H new ATOM 0 HB THR A 72 0.839 2.927 -10.286 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.647 5.208 -10.546 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.694 4.824 -10.659 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.360 3.725 -9.427 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.598 5.257 -8.936 1.00 0.00 H new ATOM 1133 N MET A 73 3.414 2.706 -8.054 1.00 0.00 N ATOM 1134 CA MET A 73 4.610 1.882 -8.008 1.00 0.00 C ATOM 1135 C MET A 73 4.547 0.888 -6.847 1.00 0.00 C ATOM 1136 O MET A 73 4.999 -0.249 -6.973 1.00 0.00 O ATOM 1137 CB MET A 73 5.841 2.776 -7.848 1.00 0.00 C ATOM 1138 CG MET A 73 6.061 3.634 -9.096 1.00 0.00 C ATOM 1139 SD MET A 73 6.941 2.695 -10.334 1.00 0.00 S ATOM 1140 CE MET A 73 8.608 2.852 -9.715 1.00 0.00 C ATOM 0 H MET A 73 3.588 3.711 -8.039 1.00 0.00 H new ATOM 0 HA MET A 73 4.677 1.320 -8.940 1.00 0.00 H new ATOM 0 HB2 MET A 73 5.717 3.420 -6.977 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.721 2.160 -7.666 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.102 3.966 -9.493 1.00 0.00 H new ATOM 0 HG3 MET A 73 6.626 4.529 -8.837 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.168 1.946 -9.944 1.00 0.00 H new ATOM 0 HE2 MET A 73 9.092 3.707 -10.187 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.583 2.999 -8.635 1.00 0.00 H new ATOM 1150 N VAL A 74 3.982 1.353 -5.742 1.00 0.00 N ATOM 1151 CA VAL A 74 3.854 0.519 -4.559 1.00 0.00 C ATOM 1152 C VAL A 74 3.464 -0.899 -4.980 1.00 0.00 C ATOM 1153 O VAL A 74 3.915 -1.875 -4.381 1.00 0.00 O ATOM 1154 CB VAL A 74 2.859 1.147 -3.581 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.527 0.182 -2.441 1.00 0.00 C ATOM 1156 CG2 VAL A 74 3.389 2.476 -3.038 1.00 0.00 C ATOM 0 H VAL A 74 3.608 2.297 -5.641 1.00 0.00 H new ATOM 0 HA VAL A 74 4.807 0.452 -4.034 1.00 0.00 H new ATOM 0 HB VAL A 74 1.937 1.351 -4.126 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.818 0.653 -1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.087 -0.727 -2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.439 -0.068 -1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.663 2.902 -2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.331 2.306 -2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.551 3.168 -3.864 1.00 0.00 H new ATOM 1166 N SER A 75 2.629 -0.969 -6.007 1.00 0.00 N ATOM 1167 CA SER A 75 2.173 -2.252 -6.514 1.00 0.00 C ATOM 1168 C SER A 75 3.372 -3.100 -6.945 1.00 0.00 C ATOM 1169 O SER A 75 3.498 -4.254 -6.538 1.00 0.00 O ATOM 1170 CB SER A 75 1.205 -2.068 -7.685 1.00 0.00 C ATOM 1171 OG SER A 75 0.188 -1.114 -7.392 1.00 0.00 O ATOM 0 H SER A 75 2.257 -0.158 -6.501 1.00 0.00 H new ATOM 0 HA SER A 75 1.640 -2.767 -5.714 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.760 -1.747 -8.567 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.745 -3.025 -7.929 1.00 0.00 H new ATOM 0 HG SER A 75 0.524 -0.212 -7.574 1.00 0.00 H new ATOM 1177 N GLN A 76 4.221 -2.495 -7.762 1.00 0.00 N ATOM 1178 CA GLN A 76 5.405 -3.181 -8.252 1.00 0.00 C ATOM 1179 C GLN A 76 6.581 -2.957 -7.299 1.00 0.00 C ATOM 1180 O GLN A 76 7.734 -2.925 -7.727 1.00 0.00 O ATOM 1181 CB GLN A 76 5.754 -2.725 -9.671 1.00 0.00 C ATOM 1182 CG GLN A 76 6.344 -1.314 -9.664 1.00 0.00 C ATOM 1183 CD GLN A 76 7.808 -1.329 -10.108 1.00 0.00 C ATOM 1184 OE1 GLN A 76 8.180 -1.955 -11.087 1.00 0.00 O ATOM 1185 NE2 GLN A 76 8.616 -0.607 -9.336 1.00 0.00 N ATOM 0 H GLN A 76 4.113 -1.538 -8.097 1.00 0.00 H new ATOM 0 HA GLN A 76 5.193 -4.249 -8.290 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.468 -3.419 -10.115 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.860 -2.746 -10.294 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.766 -0.671 -10.328 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.268 -0.889 -8.663 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.239 -0.107 -8.531 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.612 -0.554 -9.549 1.00 0.00 H new ATOM 1194 N LYS A 77 6.248 -2.808 -6.026 1.00 0.00 N ATOM 1195 CA LYS A 77 7.262 -2.587 -5.008 1.00 0.00 C ATOM 1196 C LYS A 77 6.964 -3.473 -3.797 1.00 0.00 C ATOM 1197 O LYS A 77 7.852 -4.154 -3.287 1.00 0.00 O ATOM 1198 CB LYS A 77 7.369 -1.099 -4.671 1.00 0.00 C ATOM 1199 CG LYS A 77 7.879 -0.300 -5.872 1.00 0.00 C ATOM 1200 CD LYS A 77 9.340 0.110 -5.677 1.00 0.00 C ATOM 1201 CE LYS A 77 9.694 1.314 -6.552 1.00 0.00 C ATOM 1202 NZ LYS A 77 11.120 1.672 -6.389 1.00 0.00 N ATOM 0 H LYS A 77 5.291 -2.836 -5.675 1.00 0.00 H new ATOM 0 HA LYS A 77 8.245 -2.876 -5.380 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.393 -0.721 -4.366 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.043 -0.962 -3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.783 -0.898 -6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.263 0.589 -6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.516 0.353 -4.629 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.992 -0.728 -5.924 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.488 1.084 -7.597 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.067 2.164 -6.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.343 2.491 -6.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.306 1.911 -5.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.714 0.866 -6.668 1.00 0.00 H new ATOM 1216 N ILE A 78 5.710 -3.435 -3.371 1.00 0.00 N ATOM 1217 CA ILE A 78 5.283 -4.226 -2.229 1.00 0.00 C ATOM 1218 C ILE A 78 5.241 -5.703 -2.624 1.00 0.00 C ATOM 1219 O ILE A 78 5.534 -6.576 -1.809 1.00 0.00 O ATOM 1220 CB ILE A 78 3.957 -3.698 -1.678 1.00 0.00 C ATOM 1221 CG1 ILE A 78 2.813 -3.959 -2.660 1.00 0.00 C ATOM 1222 CG2 ILE A 78 4.067 -2.218 -1.306 1.00 0.00 C ATOM 1223 CD1 ILE A 78 1.890 -5.066 -2.147 1.00 0.00 C ATOM 0 H ILE A 78 4.976 -2.869 -3.796 1.00 0.00 H new ATOM 0 HA ILE A 78 6.000 -4.135 -1.413 1.00 0.00 H new ATOM 0 HB ILE A 78 3.727 -4.243 -0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.241 -3.043 -2.808 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.220 -4.241 -3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.111 -1.869 -0.917 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.837 -2.090 -0.545 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.332 -1.639 -2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.086 -5.231 -2.864 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.460 -5.987 -2.023 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.465 -4.770 -1.188 1.00 0.00 H new ATOM 1235 N SER A 79 4.874 -5.938 -3.875 1.00 0.00 N ATOM 1236 CA SER A 79 4.789 -7.295 -4.388 1.00 0.00 C ATOM 1237 C SER A 79 6.028 -8.090 -3.970 1.00 0.00 C ATOM 1238 O SER A 79 5.912 -9.213 -3.480 1.00 0.00 O ATOM 1239 CB SER A 79 4.645 -7.300 -5.911 1.00 0.00 C ATOM 1240 OG SER A 79 5.897 -7.112 -6.567 1.00 0.00 O ATOM 0 H SER A 79 4.632 -5.211 -4.549 1.00 0.00 H new ATOM 0 HA SER A 79 3.902 -7.766 -3.965 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.207 -8.246 -6.231 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.956 -6.511 -6.212 1.00 0.00 H new ATOM 0 HG SER A 79 5.763 -7.123 -7.538 1.00 0.00 H new ATOM 1246 N HIS A 80 7.184 -7.477 -4.178 1.00 0.00 N ATOM 1247 CA HIS A 80 8.442 -8.114 -3.828 1.00 0.00 C ATOM 1248 C HIS A 80 8.375 -8.626 -2.388 1.00 0.00 C ATOM 1249 O HIS A 80 8.835 -9.729 -2.095 1.00 0.00 O ATOM 1250 CB HIS A 80 9.617 -7.163 -4.065 1.00 0.00 C ATOM 1251 CG HIS A 80 10.874 -7.848 -4.546 1.00 0.00 C ATOM 1252 ND1 HIS A 80 11.467 -8.893 -3.860 1.00 0.00 N ATOM 1253 CD2 HIS A 80 11.643 -7.627 -5.651 1.00 0.00 C ATOM 1254 CE1 HIS A 80 12.544 -9.276 -4.530 1.00 0.00 C ATOM 1255 NE2 HIS A 80 12.652 -8.489 -5.639 1.00 0.00 N ATOM 0 H HIS A 80 7.276 -6.546 -4.584 1.00 0.00 H new ATOM 0 HA HIS A 80 8.610 -8.975 -4.475 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.321 -6.412 -4.798 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.836 -6.634 -3.137 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.461 -6.878 -6.407 1.00 0.00 H new ATOM 0 HE1 HIS A 80 13.218 -10.071 -4.248 1.00 0.00 H new ATOM 0 HE2 HIS A 80 13.387 -8.553 -6.343 1.00 0.00 H new ATOM 1263 N HIS A 81 7.800 -7.800 -1.526 1.00 0.00 N ATOM 1264 CA HIS A 81 7.667 -8.155 -0.124 1.00 0.00 C ATOM 1265 C HIS A 81 6.607 -9.247 0.031 1.00 0.00 C ATOM 1266 O HIS A 81 6.786 -10.187 0.805 1.00 0.00 O ATOM 1267 CB HIS A 81 7.371 -6.917 0.725 1.00 0.00 C ATOM 1268 CG HIS A 81 8.457 -5.869 0.681 1.00 0.00 C ATOM 1269 ND1 HIS A 81 9.508 -5.840 1.581 1.00 0.00 N ATOM 1270 CD2 HIS A 81 8.644 -4.814 -0.163 1.00 0.00 C ATOM 1271 CE1 HIS A 81 10.286 -4.810 1.283 1.00 0.00 C ATOM 1272 NE2 HIS A 81 9.748 -4.175 0.202 1.00 0.00 N ATOM 0 H HIS A 81 7.421 -6.886 -1.772 1.00 0.00 H new ATOM 0 HA HIS A 81 8.611 -8.558 0.243 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.436 -6.471 0.386 1.00 0.00 H new ATOM 0 HB3 HIS A 81 7.220 -7.226 1.759 1.00 0.00 H new ATOM 0 HD2 HIS A 81 8.002 -4.544 -0.989 1.00 0.00 H new ATOM 0 HE1 HIS A 81 11.188 -4.523 1.804 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.131 -3.345 -0.251 1.00 0.00 H new ATOM 1280 N LEU A 82 5.525 -9.088 -0.717 1.00 0.00 N ATOM 1281 CA LEU A 82 4.436 -10.049 -0.673 1.00 0.00 C ATOM 1282 C LEU A 82 5.004 -11.463 -0.804 1.00 0.00 C ATOM 1283 O LEU A 82 5.977 -11.681 -1.524 1.00 0.00 O ATOM 1284 CB LEU A 82 3.380 -9.710 -1.726 1.00 0.00 C ATOM 1285 CG LEU A 82 2.796 -8.297 -1.661 1.00 0.00 C ATOM 1286 CD1 LEU A 82 1.712 -8.101 -2.723 1.00 0.00 C ATOM 1287 CD2 LEU A 82 2.283 -7.981 -0.254 1.00 0.00 C ATOM 0 H LEU A 82 5.379 -8.308 -1.357 1.00 0.00 H new ATOM 0 HA LEU A 82 3.922 -9.999 0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.820 -9.855 -2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.562 -10.424 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 82 3.594 -7.588 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.314 -7.089 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.140 -8.256 -3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.908 -8.819 -2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.873 -6.971 -0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.505 -8.694 0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.105 -8.053 0.458 1.00 0.00 H new ATOM 1299 N SER A 83 4.371 -12.388 -0.098 1.00 0.00 N ATOM 1300 CA SER A 83 4.801 -13.776 -0.127 1.00 0.00 C ATOM 1301 C SER A 83 3.615 -14.698 0.165 1.00 0.00 C ATOM 1302 O SER A 83 2.594 -14.254 0.687 1.00 0.00 O ATOM 1303 CB SER A 83 5.926 -14.025 0.880 1.00 0.00 C ATOM 1304 OG SER A 83 7.214 -13.918 0.278 1.00 0.00 O ATOM 0 H SER A 83 3.564 -12.204 0.498 1.00 0.00 H new ATOM 0 HA SER A 83 5.186 -13.994 -1.123 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.847 -13.308 1.697 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.810 -15.018 1.315 1.00 0.00 H new ATOM 0 HG SER A 83 7.193 -13.228 -0.418 1.00 0.00 H new ATOM 1310 N PRO A 84 3.794 -15.997 -0.196 1.00 0.00 N ATOM 1311 CA PRO A 84 2.751 -16.984 0.021 1.00 0.00 C ATOM 1312 C PRO A 84 2.661 -17.371 1.499 1.00 0.00 C ATOM 1313 O PRO A 84 3.655 -17.774 2.101 1.00 0.00 O ATOM 1314 CB PRO A 84 3.123 -18.153 -0.877 1.00 0.00 C ATOM 1315 CG PRO A 84 4.595 -17.972 -1.208 1.00 0.00 C ATOM 1316 CD PRO A 84 4.990 -16.557 -0.817 1.00 0.00 C ATOM 0 HA PRO A 84 1.758 -16.608 -0.227 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.950 -19.104 -0.372 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.517 -18.158 -1.783 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.200 -18.700 -0.668 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.770 -18.137 -2.271 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.832 -16.558 -0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.293 -15.976 -1.688 1.00 0.00 H new ATOM 1324 N PRO A 85 1.428 -17.230 2.056 1.00 0.00 N ATOM 1325 CA PRO A 85 1.195 -17.560 3.451 1.00 0.00 C ATOM 1326 C PRO A 85 1.153 -19.075 3.657 1.00 0.00 C ATOM 1327 O PRO A 85 1.181 -19.837 2.692 1.00 0.00 O ATOM 1328 CB PRO A 85 -0.116 -16.876 3.804 1.00 0.00 C ATOM 1329 CG PRO A 85 -0.801 -16.579 2.479 1.00 0.00 C ATOM 1330 CD PRO A 85 0.228 -16.755 1.373 1.00 0.00 C ATOM 0 HA PRO A 85 1.997 -17.215 4.104 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -0.736 -17.519 4.429 1.00 0.00 H new ATOM 0 HB3 PRO A 85 0.061 -15.959 4.366 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.645 -17.252 2.326 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.198 -15.564 2.473 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.112 -17.472 0.626 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.414 -15.816 0.852 1.00 0.00 H new