USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 654 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 41 THR OG1 : rot 180:sc= 0.018 USER MOD Set 1.2: A 43 ASN : amide:sc= -1.79 K(o=-1.8,f=-0.71) USER MOD Single : A 10 TYR OH : rot 120:sc= -1.28 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= -0.0883 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -109:sc= -1.64! USER MOD Single : A 25 HIS : no HD1:sc= -6.47! C(o=-6.5!,f=-5.7!) USER MOD Single : A 33 MET CE :methyl 161:sc= -4.46! (180deg=-7.48!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0244 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.23 X(o=-0.23,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 53 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.034) USER MOD Single : A 55 THR OG1 : rot -135:sc= -1.9! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -73:sc= -0.672 USER MOD Single : A 70 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0857) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -5.21! K(o=-5.2!,f=-0.66) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -11.7! C(o=-12!,f=-8.1!) USER MOD Single : A 92 ASN : amide:sc=-0.00946 K(o=-0.0095,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 156 N TYR A 10 -5.481 4.677 10.106 1.00 0.00 N ATOM 157 CA TYR A 10 -5.076 4.699 8.710 1.00 0.00 C ATOM 158 C TYR A 10 -6.293 4.660 7.785 1.00 0.00 C ATOM 159 O TYR A 10 -6.990 3.649 7.710 1.00 0.00 O ATOM 160 CB TYR A 10 -4.244 3.433 8.493 1.00 0.00 C ATOM 161 CG TYR A 10 -4.975 2.140 8.859 1.00 0.00 C ATOM 162 CD1 TYR A 10 -5.076 1.755 10.181 1.00 0.00 C ATOM 163 CD2 TYR A 10 -5.531 1.356 7.868 1.00 0.00 C ATOM 164 CE1 TYR A 10 -5.764 0.537 10.525 1.00 0.00 C ATOM 165 CE2 TYR A 10 -6.218 0.139 8.212 1.00 0.00 C ATOM 166 CZ TYR A 10 -6.301 -0.211 9.524 1.00 0.00 C ATOM 167 OH TYR A 10 -6.950 -1.361 9.848 1.00 0.00 O ATOM 0 HA TYR A 10 -4.519 5.609 8.486 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.941 3.384 7.447 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.332 3.503 9.086 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.639 2.367 10.957 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.450 1.656 6.834 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.851 0.225 11.555 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.658 -0.482 7.446 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.880 -1.308 9.545 1.00 0.00 H new ATOM 177 N LYS A 11 -6.511 5.774 7.101 1.00 0.00 N ATOM 178 CA LYS A 11 -7.633 5.881 6.183 1.00 0.00 C ATOM 179 C LYS A 11 -7.111 6.204 4.782 1.00 0.00 C ATOM 180 O LYS A 11 -5.905 6.331 4.579 1.00 0.00 O ATOM 181 CB LYS A 11 -8.658 6.889 6.706 1.00 0.00 C ATOM 182 CG LYS A 11 -8.092 8.310 6.681 1.00 0.00 C ATOM 183 CD LYS A 11 -9.192 9.334 6.393 1.00 0.00 C ATOM 184 CE LYS A 11 -9.151 9.786 4.932 1.00 0.00 C ATOM 185 NZ LYS A 11 -9.892 11.055 4.760 1.00 0.00 N ATOM 0 H LYS A 11 -5.930 6.610 7.164 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.162 4.930 6.114 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.561 6.843 6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.945 6.626 7.724 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.623 8.535 7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.315 8.382 5.920 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.166 8.899 6.616 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.071 10.197 7.048 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.116 9.917 4.615 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.585 9.016 4.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.854 11.347 3.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.883 10.919 5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.460 11.792 5.353 1.00 0.00 H new ATOM 199 N CYS A 12 -8.046 6.328 3.851 1.00 0.00 N ATOM 200 CA CYS A 12 -7.694 6.633 2.476 1.00 0.00 C ATOM 201 C CYS A 12 -6.592 7.695 2.485 1.00 0.00 C ATOM 202 O CYS A 12 -6.665 8.665 3.238 1.00 0.00 O ATOM 203 CB CYS A 12 -8.913 7.085 1.667 1.00 0.00 C ATOM 204 SG CYS A 12 -8.618 6.806 -0.117 1.00 0.00 S ATOM 0 H CYS A 12 -9.046 6.223 4.023 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.326 5.732 1.985 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.797 6.535 1.988 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.110 8.141 1.851 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.659 7.191 -0.794 1.00 0.00 H new ATOM 210 N GLY A 13 -5.595 7.475 1.640 1.00 0.00 N ATOM 211 CA GLY A 13 -4.479 8.400 1.541 1.00 0.00 C ATOM 212 C GLY A 13 -3.296 7.924 2.387 1.00 0.00 C ATOM 213 O GLY A 13 -2.263 8.589 2.445 1.00 0.00 O ATOM 0 H GLY A 13 -5.537 6.669 1.017 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.171 8.494 0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.792 9.390 1.872 1.00 0.00 H new ATOM 217 N ASP A 14 -3.486 6.775 3.019 1.00 0.00 N ATOM 218 CA ASP A 14 -2.448 6.202 3.859 1.00 0.00 C ATOM 219 C ASP A 14 -1.763 5.059 3.106 1.00 0.00 C ATOM 220 O ASP A 14 -2.429 4.151 2.609 1.00 0.00 O ATOM 221 CB ASP A 14 -3.036 5.631 5.150 1.00 0.00 C ATOM 222 CG ASP A 14 -2.006 5.119 6.159 1.00 0.00 C ATOM 223 OD1 ASP A 14 -1.307 5.977 6.741 1.00 0.00 O ATOM 224 OD2 ASP A 14 -1.941 3.883 6.324 1.00 0.00 O ATOM 0 H ASP A 14 -4.344 6.225 2.966 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.739 6.992 4.105 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.639 6.402 5.629 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.709 4.813 4.894 1.00 0.00 H new ATOM 229 N LEU A 15 -0.442 5.141 3.044 1.00 0.00 N ATOM 230 CA LEU A 15 0.340 4.125 2.361 1.00 0.00 C ATOM 231 C LEU A 15 0.884 3.130 3.387 1.00 0.00 C ATOM 232 O LEU A 15 1.274 3.518 4.487 1.00 0.00 O ATOM 233 CB LEU A 15 1.424 4.774 1.498 1.00 0.00 C ATOM 234 CG LEU A 15 2.519 3.838 0.981 1.00 0.00 C ATOM 235 CD1 LEU A 15 3.554 3.551 2.069 1.00 0.00 C ATOM 236 CD2 LEU A 15 1.916 2.554 0.409 1.00 0.00 C ATOM 0 H LEU A 15 0.107 5.896 3.456 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.288 3.560 1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.944 5.247 0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.896 5.567 2.078 1.00 0.00 H new ATOM 0 HG LEU A 15 3.041 4.339 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.320 2.884 1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.016 4.486 2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.065 3.079 2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.715 1.906 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.354 2.038 1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.249 2.802 -0.417 1.00 0.00 H new ATOM 248 N VAL A 16 0.892 1.866 2.991 1.00 0.00 N ATOM 249 CA VAL A 16 1.383 0.812 3.863 1.00 0.00 C ATOM 250 C VAL A 16 1.744 -0.414 3.020 1.00 0.00 C ATOM 251 O VAL A 16 1.594 -0.398 1.800 1.00 0.00 O ATOM 252 CB VAL A 16 0.349 0.507 4.948 1.00 0.00 C ATOM 253 CG1 VAL A 16 0.647 1.293 6.227 1.00 0.00 C ATOM 254 CG2 VAL A 16 -1.070 0.791 4.448 1.00 0.00 C ATOM 0 H VAL A 16 0.566 1.548 2.078 1.00 0.00 H new ATOM 0 HA VAL A 16 2.289 1.132 4.377 1.00 0.00 H new ATOM 0 HB VAL A 16 0.415 -0.555 5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.103 1.058 6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.635 1.021 6.600 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.622 2.361 6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.786 0.566 5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.154 1.842 4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.281 0.168 3.579 1.00 0.00 H new ATOM 264 N PHE A 17 2.213 -1.446 3.707 1.00 0.00 N ATOM 265 CA PHE A 17 2.599 -2.677 3.038 1.00 0.00 C ATOM 266 C PHE A 17 1.419 -3.649 2.958 1.00 0.00 C ATOM 267 O PHE A 17 1.006 -4.213 3.970 1.00 0.00 O ATOM 268 CB PHE A 17 3.712 -3.311 3.873 1.00 0.00 C ATOM 269 CG PHE A 17 5.094 -2.700 3.634 1.00 0.00 C ATOM 270 CD1 PHE A 17 5.310 -1.384 3.899 1.00 0.00 C ATOM 271 CD2 PHE A 17 6.106 -3.474 3.156 1.00 0.00 C ATOM 272 CE1 PHE A 17 6.594 -0.817 3.677 1.00 0.00 C ATOM 273 CE2 PHE A 17 7.388 -2.907 2.933 1.00 0.00 C ATOM 274 CZ PHE A 17 7.606 -1.590 3.199 1.00 0.00 C ATOM 0 H PHE A 17 2.334 -1.455 4.720 1.00 0.00 H new ATOM 0 HA PHE A 17 2.928 -2.461 2.021 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.461 -3.213 4.929 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.755 -4.378 3.653 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.506 -0.770 4.278 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.934 -4.519 2.946 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.766 0.228 3.888 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.191 -3.521 2.552 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.582 -1.159 3.031 1.00 0.00 H new ATOM 284 N ALA A 18 0.910 -3.815 1.746 1.00 0.00 N ATOM 285 CA ALA A 18 -0.213 -4.708 1.521 1.00 0.00 C ATOM 286 C ALA A 18 0.246 -5.893 0.670 1.00 0.00 C ATOM 287 O ALA A 18 0.845 -5.706 -0.389 1.00 0.00 O ATOM 288 CB ALA A 18 -1.361 -3.933 0.873 1.00 0.00 C ATOM 0 H ALA A 18 1.255 -3.345 0.909 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.583 -5.105 2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.203 -4.604 0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.670 -3.121 1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.029 -3.521 -0.080 1.00 0.00 H new ATOM 294 N LYS A 19 -0.051 -7.087 1.162 1.00 0.00 N ATOM 295 CA LYS A 19 0.323 -8.302 0.460 1.00 0.00 C ATOM 296 C LYS A 19 -0.930 -8.953 -0.129 1.00 0.00 C ATOM 297 O LYS A 19 -2.047 -8.634 0.276 1.00 0.00 O ATOM 298 CB LYS A 19 1.123 -9.227 1.378 1.00 0.00 C ATOM 299 CG LYS A 19 0.256 -10.378 1.887 1.00 0.00 C ATOM 300 CD LYS A 19 0.714 -10.841 3.272 1.00 0.00 C ATOM 301 CE LYS A 19 0.339 -12.305 3.514 1.00 0.00 C ATOM 302 NZ LYS A 19 1.393 -12.987 4.298 1.00 0.00 N ATOM 0 H LYS A 19 -0.547 -7.238 2.040 1.00 0.00 H new ATOM 0 HA LYS A 19 0.984 -8.070 -0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.983 -9.625 0.839 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.512 -8.659 2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.786 -10.060 1.932 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.305 -11.212 1.187 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.793 -10.719 3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.258 -10.214 4.038 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.611 -12.360 4.045 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.201 -12.814 2.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.123 -13.979 4.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.292 -12.950 3.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.506 -12.511 5.216 1.00 0.00 H new ATOM 316 N MET A 20 -0.703 -9.854 -1.073 1.00 0.00 N ATOM 317 CA MET A 20 -1.800 -10.552 -1.721 1.00 0.00 C ATOM 318 C MET A 20 -1.536 -12.059 -1.771 1.00 0.00 C ATOM 319 O MET A 20 -0.405 -12.502 -1.583 1.00 0.00 O ATOM 320 CB MET A 20 -1.976 -10.017 -3.142 1.00 0.00 C ATOM 321 CG MET A 20 -3.357 -10.377 -3.697 1.00 0.00 C ATOM 322 SD MET A 20 -4.059 -8.974 -4.548 1.00 0.00 S ATOM 323 CE MET A 20 -4.514 -9.743 -6.092 1.00 0.00 C ATOM 0 H MET A 20 0.225 -10.117 -1.405 1.00 0.00 H new ATOM 0 HA MET A 20 -2.708 -10.380 -1.144 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.850 -8.934 -3.145 1.00 0.00 H new ATOM 0 HB3 MET A 20 -1.201 -10.430 -3.788 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.274 -11.223 -4.380 1.00 0.00 H new ATOM 0 HG3 MET A 20 -4.015 -10.686 -2.885 1.00 0.00 H new ATOM 0 HE1 MET A 20 -4.971 -9.001 -6.747 1.00 0.00 H new ATOM 0 HE2 MET A 20 -3.624 -10.151 -6.571 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.225 -10.547 -5.902 1.00 0.00 H new ATOM 333 N LYS A 21 -2.601 -12.805 -2.025 1.00 0.00 N ATOM 334 CA LYS A 21 -2.501 -14.252 -2.101 1.00 0.00 C ATOM 335 C LYS A 21 -1.460 -14.631 -3.158 1.00 0.00 C ATOM 336 O LYS A 21 -1.624 -14.315 -4.335 1.00 0.00 O ATOM 337 CB LYS A 21 -3.877 -14.872 -2.344 1.00 0.00 C ATOM 338 CG LYS A 21 -3.914 -16.329 -1.873 1.00 0.00 C ATOM 339 CD LYS A 21 -4.375 -16.423 -0.417 1.00 0.00 C ATOM 340 CE LYS A 21 -5.739 -17.107 -0.318 1.00 0.00 C ATOM 341 NZ LYS A 21 -6.824 -16.101 -0.284 1.00 0.00 N ATOM 0 H LYS A 21 -3.538 -12.434 -2.181 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.156 -14.661 -1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.637 -14.296 -1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.119 -14.823 -3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.587 -16.904 -2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.924 -16.773 -1.974 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.641 -16.980 0.165 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.433 -15.424 0.015 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.880 -17.774 -1.169 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.779 -17.723 0.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.743 -16.584 -0.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.697 -15.481 0.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.796 -15.530 -1.153 1.00 0.00 H new ATOM 355 N GLY A 22 -0.415 -15.302 -2.698 1.00 0.00 N ATOM 356 CA GLY A 22 0.652 -15.728 -3.588 1.00 0.00 C ATOM 357 C GLY A 22 1.688 -14.617 -3.772 1.00 0.00 C ATOM 358 O GLY A 22 2.816 -14.880 -4.187 1.00 0.00 O ATOM 0 H GLY A 22 -0.284 -15.561 -1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.135 -16.617 -3.183 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.234 -16.005 -4.556 1.00 0.00 H new ATOM 362 N TYR A 23 1.268 -13.402 -3.456 1.00 0.00 N ATOM 363 CA TYR A 23 2.146 -12.250 -3.581 1.00 0.00 C ATOM 364 C TYR A 23 2.676 -11.815 -2.215 1.00 0.00 C ATOM 365 O TYR A 23 1.918 -11.723 -1.250 1.00 0.00 O ATOM 366 CB TYR A 23 1.285 -11.126 -4.164 1.00 0.00 C ATOM 367 CG TYR A 23 2.076 -10.093 -4.969 1.00 0.00 C ATOM 368 CD1 TYR A 23 3.072 -10.504 -5.829 1.00 0.00 C ATOM 369 CD2 TYR A 23 1.792 -8.748 -4.832 1.00 0.00 C ATOM 370 CE1 TYR A 23 3.816 -9.529 -6.587 1.00 0.00 C ATOM 371 CE2 TYR A 23 2.535 -7.775 -5.589 1.00 0.00 C ATOM 372 CZ TYR A 23 3.511 -8.214 -6.430 1.00 0.00 C ATOM 373 OH TYR A 23 4.212 -7.294 -7.144 1.00 0.00 O ATOM 0 H TYR A 23 0.331 -13.189 -3.113 1.00 0.00 H new ATOM 0 HA TYR A 23 3.005 -12.487 -4.209 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.520 -11.563 -4.805 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.767 -10.619 -3.350 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.295 -11.555 -5.935 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.013 -8.427 -4.157 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.599 -9.837 -7.265 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.323 -6.721 -5.492 1.00 0.00 H new ATOM 0 HH TYR A 23 4.804 -6.796 -6.543 1.00 0.00 H new ATOM 383 N PRO A 24 4.009 -11.549 -2.173 1.00 0.00 N ATOM 384 CA PRO A 24 4.650 -11.124 -0.940 1.00 0.00 C ATOM 385 C PRO A 24 4.315 -9.665 -0.623 1.00 0.00 C ATOM 386 O PRO A 24 3.956 -8.898 -1.514 1.00 0.00 O ATOM 387 CB PRO A 24 6.135 -11.355 -1.169 1.00 0.00 C ATOM 388 CG PRO A 24 6.312 -11.461 -2.676 1.00 0.00 C ATOM 389 CD PRO A 24 4.938 -11.644 -3.296 1.00 0.00 C ATOM 0 HA PRO A 24 4.302 -11.683 -0.071 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.725 -10.534 -0.763 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.470 -12.265 -0.671 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.791 -10.564 -3.068 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.958 -12.302 -2.926 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.735 -10.877 -4.043 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.855 -12.608 -3.798 1.00 0.00 H new ATOM 397 N HIS A 25 4.441 -9.328 0.653 1.00 0.00 N ATOM 398 CA HIS A 25 4.156 -7.975 1.100 1.00 0.00 C ATOM 399 C HIS A 25 4.737 -6.970 0.103 1.00 0.00 C ATOM 400 O HIS A 25 5.954 -6.844 -0.018 1.00 0.00 O ATOM 401 CB HIS A 25 4.664 -7.755 2.527 1.00 0.00 C ATOM 402 CG HIS A 25 3.576 -7.438 3.525 1.00 0.00 C ATOM 403 ND1 HIS A 25 3.653 -7.802 4.858 1.00 0.00 N ATOM 404 CD2 HIS A 25 2.388 -6.788 3.370 1.00 0.00 C ATOM 405 CE1 HIS A 25 2.553 -7.385 5.469 1.00 0.00 C ATOM 406 NE2 HIS A 25 1.770 -6.756 4.544 1.00 0.00 N ATOM 0 H HIS A 25 4.736 -9.968 1.390 1.00 0.00 H new ATOM 0 HA HIS A 25 3.078 -7.820 1.132 1.00 0.00 H new ATOM 0 HB2 HIS A 25 5.194 -8.649 2.855 1.00 0.00 H new ATOM 0 HB3 HIS A 25 5.387 -6.940 2.522 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.013 -6.370 2.448 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.318 -7.519 6.514 1.00 0.00 H new ATOM 0 HE2 HIS A 25 0.860 -6.332 4.725 1.00 0.00 H new ATOM 414 N TRP A 26 3.839 -6.283 -0.586 1.00 0.00 N ATOM 415 CA TRP A 26 4.248 -5.294 -1.571 1.00 0.00 C ATOM 416 C TRP A 26 3.737 -3.928 -1.107 1.00 0.00 C ATOM 417 O TRP A 26 2.801 -3.848 -0.313 1.00 0.00 O ATOM 418 CB TRP A 26 3.754 -5.675 -2.967 1.00 0.00 C ATOM 419 CG TRP A 26 4.873 -5.846 -3.997 1.00 0.00 C ATOM 420 CD1 TRP A 26 5.019 -5.217 -5.171 1.00 0.00 C ATOM 421 CD2 TRP A 26 6.006 -6.736 -3.896 1.00 0.00 C ATOM 422 NE1 TRP A 26 6.157 -5.634 -5.831 1.00 0.00 N ATOM 423 CE2 TRP A 26 6.775 -6.587 -5.031 1.00 0.00 C ATOM 424 CE3 TRP A 26 6.366 -7.638 -2.879 1.00 0.00 C ATOM 425 CZ2 TRP A 26 7.956 -7.307 -5.257 1.00 0.00 C ATOM 426 CZ3 TRP A 26 7.548 -8.349 -3.119 1.00 0.00 C ATOM 427 CH2 TRP A 26 8.335 -8.211 -4.257 1.00 0.00 C ATOM 0 H TRP A 26 2.830 -6.391 -0.483 1.00 0.00 H new ATOM 0 HA TRP A 26 5.334 -5.252 -1.649 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.190 -6.605 -2.900 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.064 -4.908 -3.319 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.332 -4.476 -5.553 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.484 -5.303 -6.739 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.777 -7.772 -1.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 8.542 -7.172 -6.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.871 -9.054 -2.367 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.234 -8.798 -4.369 1.00 0.00 H new ATOM 438 N PRO A 27 4.390 -2.860 -1.638 1.00 0.00 N ATOM 439 CA PRO A 27 4.013 -1.502 -1.288 1.00 0.00 C ATOM 440 C PRO A 27 2.713 -1.097 -1.987 1.00 0.00 C ATOM 441 O PRO A 27 2.714 -0.792 -3.178 1.00 0.00 O ATOM 442 CB PRO A 27 5.200 -0.645 -1.698 1.00 0.00 C ATOM 443 CG PRO A 27 6.000 -1.484 -2.680 1.00 0.00 C ATOM 444 CD PRO A 27 5.503 -2.917 -2.581 1.00 0.00 C ATOM 0 HA PRO A 27 3.803 -1.385 -0.225 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.869 0.286 -2.159 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.804 -0.375 -0.832 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.876 -1.106 -3.695 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.064 -1.432 -2.448 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.180 -3.292 -3.552 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.288 -3.585 -2.227 1.00 0.00 H new ATOM 452 N ALA A 28 1.635 -1.108 -1.216 1.00 0.00 N ATOM 453 CA ALA A 28 0.332 -0.746 -1.746 1.00 0.00 C ATOM 454 C ALA A 28 -0.232 0.427 -0.942 1.00 0.00 C ATOM 455 O ALA A 28 0.089 0.591 0.235 1.00 0.00 O ATOM 456 CB ALA A 28 -0.588 -1.968 -1.719 1.00 0.00 C ATOM 0 H ALA A 28 1.638 -1.362 -0.228 1.00 0.00 H new ATOM 0 HA ALA A 28 0.415 -0.424 -2.784 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.566 -1.696 -2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.156 -2.762 -2.328 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.698 -2.318 -0.693 1.00 0.00 H new ATOM 462 N ARG A 29 -1.065 1.214 -1.609 1.00 0.00 N ATOM 463 CA ARG A 29 -1.677 2.367 -0.971 1.00 0.00 C ATOM 464 C ARG A 29 -3.147 2.080 -0.654 1.00 0.00 C ATOM 465 O ARG A 29 -3.861 1.510 -1.476 1.00 0.00 O ATOM 466 CB ARG A 29 -1.587 3.604 -1.866 1.00 0.00 C ATOM 467 CG ARG A 29 -1.568 4.885 -1.030 1.00 0.00 C ATOM 468 CD ARG A 29 -2.944 5.554 -1.020 1.00 0.00 C ATOM 469 NE ARG A 29 -2.822 6.970 -1.433 1.00 0.00 N ATOM 470 CZ ARG A 29 -2.616 7.369 -2.695 1.00 0.00 C ATOM 471 NH1 ARG A 29 -2.507 6.462 -3.676 1.00 0.00 N ATOM 472 NH2 ARG A 29 -2.518 8.676 -2.977 1.00 0.00 N ATOM 0 H ARG A 29 -1.330 1.075 -2.584 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.134 2.562 -0.046 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.686 3.551 -2.477 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.435 3.625 -2.550 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.265 4.653 -0.009 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.827 5.575 -1.433 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.619 5.027 -1.695 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.379 5.494 -0.023 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.900 7.687 -0.712 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.581 5.468 -3.462 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.350 6.766 -4.637 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.600 9.366 -2.231 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.361 8.980 -3.938 1.00 0.00 H new ATOM 486 N ILE A 30 -3.553 2.490 0.539 1.00 0.00 N ATOM 487 CA ILE A 30 -4.924 2.284 0.973 1.00 0.00 C ATOM 488 C ILE A 30 -5.867 3.062 0.054 1.00 0.00 C ATOM 489 O ILE A 30 -5.550 4.170 -0.373 1.00 0.00 O ATOM 490 CB ILE A 30 -5.076 2.640 2.453 1.00 0.00 C ATOM 491 CG1 ILE A 30 -5.805 1.529 3.212 1.00 0.00 C ATOM 492 CG2 ILE A 30 -5.762 3.997 2.622 1.00 0.00 C ATOM 493 CD1 ILE A 30 -7.299 1.529 2.880 1.00 0.00 C ATOM 0 H ILE A 30 -2.957 2.963 1.218 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.195 1.231 0.892 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.080 2.727 2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.371 0.563 2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.667 1.665 4.285 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.858 4.227 3.683 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.166 4.769 2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.752 3.963 2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.794 0.730 3.432 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.734 2.488 3.161 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.434 1.369 1.810 1.00 0.00 H new ATOM 505 N ASP A 31 -7.008 2.448 -0.226 1.00 0.00 N ATOM 506 CA ASP A 31 -8.001 3.069 -1.087 1.00 0.00 C ATOM 507 C ASP A 31 -9.396 2.587 -0.680 1.00 0.00 C ATOM 508 O ASP A 31 -9.554 1.461 -0.211 1.00 0.00 O ATOM 509 CB ASP A 31 -7.776 2.685 -2.550 1.00 0.00 C ATOM 510 CG ASP A 31 -6.718 3.514 -3.281 1.00 0.00 C ATOM 511 OD1 ASP A 31 -5.577 3.551 -2.773 1.00 0.00 O ATOM 512 OD2 ASP A 31 -7.074 4.091 -4.330 1.00 0.00 O ATOM 0 H ASP A 31 -7.267 1.527 0.128 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.913 4.150 -0.980 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.487 1.635 -2.594 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.722 2.778 -3.084 1.00 0.00 H new ATOM 517 N GLU A 32 -10.369 3.464 -0.875 1.00 0.00 N ATOM 518 CA GLU A 32 -11.744 3.143 -0.535 1.00 0.00 C ATOM 519 C GLU A 32 -12.568 2.921 -1.804 1.00 0.00 C ATOM 520 O GLU A 32 -12.367 3.607 -2.806 1.00 0.00 O ATOM 521 CB GLU A 32 -12.364 4.237 0.336 1.00 0.00 C ATOM 522 CG GLU A 32 -12.504 5.546 -0.443 1.00 0.00 C ATOM 523 CD GLU A 32 -13.008 6.673 0.461 1.00 0.00 C ATOM 524 OE1 GLU A 32 -12.352 6.900 1.502 1.00 0.00 O ATOM 525 OE2 GLU A 32 -14.036 7.280 0.092 1.00 0.00 O ATOM 0 H GLU A 32 -10.232 4.397 -1.264 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.747 2.219 0.043 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.343 3.914 0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.744 4.399 1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.541 5.823 -0.872 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.195 5.406 -1.275 1.00 0.00 H new ATOM 532 N MET A 33 -13.479 1.964 -1.723 1.00 0.00 N ATOM 533 CA MET A 33 -14.333 1.643 -2.853 1.00 0.00 C ATOM 534 C MET A 33 -15.384 2.735 -3.073 1.00 0.00 C ATOM 535 O MET A 33 -16.216 2.984 -2.201 1.00 0.00 O ATOM 536 CB MET A 33 -15.032 0.306 -2.602 1.00 0.00 C ATOM 537 CG MET A 33 -16.209 0.473 -1.638 1.00 0.00 C ATOM 538 SD MET A 33 -16.717 -1.119 -1.011 1.00 0.00 S ATOM 539 CE MET A 33 -15.192 -1.653 -0.250 1.00 0.00 C ATOM 0 H MET A 33 -13.645 1.399 -0.890 1.00 0.00 H new ATOM 0 HA MET A 33 -13.712 1.576 -3.746 1.00 0.00 H new ATOM 0 HB2 MET A 33 -15.387 -0.105 -3.547 1.00 0.00 H new ATOM 0 HB3 MET A 33 -14.319 -0.409 -2.191 1.00 0.00 H new ATOM 0 HG2 MET A 33 -15.923 1.124 -0.812 1.00 0.00 H new ATOM 0 HG3 MET A 33 -17.043 0.954 -2.149 1.00 0.00 H new ATOM 0 HE1 MET A 33 -15.402 -2.447 0.466 1.00 0.00 H new ATOM 0 HE2 MET A 33 -14.514 -2.026 -1.017 1.00 0.00 H new ATOM 0 HE3 MET A 33 -14.729 -0.812 0.266 1.00 0.00 H new ATOM 549 N PRO A 34 -15.307 3.372 -4.271 1.00 0.00 N ATOM 550 CA PRO A 34 -16.242 4.431 -4.616 1.00 0.00 C ATOM 551 C PRO A 34 -17.615 3.857 -4.969 1.00 0.00 C ATOM 552 O PRO A 34 -17.787 2.641 -5.029 1.00 0.00 O ATOM 553 CB PRO A 34 -15.589 5.166 -5.775 1.00 0.00 C ATOM 554 CG PRO A 34 -14.544 4.217 -6.338 1.00 0.00 C ATOM 555 CD PRO A 34 -14.335 3.102 -5.326 1.00 0.00 C ATOM 0 HA PRO A 34 -16.434 5.111 -3.786 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -16.325 5.430 -6.534 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -15.131 6.096 -5.439 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.874 3.809 -7.293 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -13.609 4.745 -6.523 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -14.500 2.123 -5.776 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.317 3.106 -4.937 1.00 0.00 H new ATOM 563 N GLU A 35 -18.558 4.760 -5.194 1.00 0.00 N ATOM 564 CA GLU A 35 -19.911 4.359 -5.538 1.00 0.00 C ATOM 565 C GLU A 35 -20.398 5.135 -6.764 1.00 0.00 C ATOM 566 O GLU A 35 -21.571 5.496 -6.848 1.00 0.00 O ATOM 567 CB GLU A 35 -20.860 4.553 -4.354 1.00 0.00 C ATOM 568 CG GLU A 35 -20.616 5.901 -3.673 1.00 0.00 C ATOM 569 CD GLU A 35 -21.606 6.122 -2.526 1.00 0.00 C ATOM 570 OE1 GLU A 35 -22.703 5.528 -2.602 1.00 0.00 O ATOM 571 OE2 GLU A 35 -21.243 6.881 -1.602 1.00 0.00 O ATOM 0 H GLU A 35 -18.411 5.768 -5.145 1.00 0.00 H new ATOM 0 HA GLU A 35 -19.903 3.297 -5.783 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.893 4.497 -4.698 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -20.719 3.747 -3.634 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -19.596 5.940 -3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -20.714 6.705 -4.403 1.00 0.00 H new ATOM 578 N ALA A 36 -19.473 5.367 -7.683 1.00 0.00 N ATOM 579 CA ALA A 36 -19.793 6.093 -8.900 1.00 0.00 C ATOM 580 C ALA A 36 -19.830 5.116 -10.078 1.00 0.00 C ATOM 581 O ALA A 36 -20.862 4.963 -10.729 1.00 0.00 O ATOM 582 CB ALA A 36 -18.776 7.217 -9.107 1.00 0.00 C ATOM 0 H ALA A 36 -18.502 5.065 -7.609 1.00 0.00 H new ATOM 0 HA ALA A 36 -20.778 6.554 -8.823 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -19.016 7.762 -10.020 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -18.810 7.900 -8.258 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.776 6.792 -9.191 1.00 0.00 H new ATOM 588 N ALA A 37 -18.692 4.482 -10.314 1.00 0.00 N ATOM 589 CA ALA A 37 -18.580 3.524 -11.401 1.00 0.00 C ATOM 590 C ALA A 37 -19.576 2.384 -11.175 1.00 0.00 C ATOM 591 O ALA A 37 -20.260 1.959 -12.104 1.00 0.00 O ATOM 592 CB ALA A 37 -17.137 3.025 -11.497 1.00 0.00 C ATOM 0 H ALA A 37 -17.838 4.613 -9.771 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.826 3.995 -12.353 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.054 2.307 -12.312 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -16.472 3.868 -11.687 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -16.855 2.545 -10.560 1.00 0.00 H new ATOM 598 N VAL A 38 -19.626 1.921 -9.935 1.00 0.00 N ATOM 599 CA VAL A 38 -20.527 0.839 -9.575 1.00 0.00 C ATOM 600 C VAL A 38 -21.073 1.084 -8.166 1.00 0.00 C ATOM 601 O VAL A 38 -20.615 1.986 -7.466 1.00 0.00 O ATOM 602 CB VAL A 38 -19.811 -0.505 -9.713 1.00 0.00 C ATOM 603 CG1 VAL A 38 -18.628 -0.599 -8.745 1.00 0.00 C ATOM 604 CG2 VAL A 38 -20.783 -1.668 -9.506 1.00 0.00 C ATOM 0 H VAL A 38 -19.057 2.275 -9.166 1.00 0.00 H new ATOM 0 HA VAL A 38 -21.379 0.809 -10.254 1.00 0.00 H new ATOM 0 HB VAL A 38 -19.419 -0.573 -10.728 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -18.136 -1.565 -8.864 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -17.917 0.199 -8.960 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -18.987 -0.498 -7.721 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -20.248 -2.612 -9.610 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -21.218 -1.605 -8.509 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -21.576 -1.617 -10.252 1.00 0.00 H new ATOM 614 N LYS A 39 -22.046 0.266 -7.794 1.00 0.00 N ATOM 615 CA LYS A 39 -22.660 0.382 -6.482 1.00 0.00 C ATOM 616 C LYS A 39 -22.238 -0.808 -5.619 1.00 0.00 C ATOM 617 O LYS A 39 -22.636 -1.942 -5.881 1.00 0.00 O ATOM 618 CB LYS A 39 -24.177 0.540 -6.612 1.00 0.00 C ATOM 619 CG LYS A 39 -24.531 1.771 -7.449 1.00 0.00 C ATOM 620 CD LYS A 39 -25.354 1.380 -8.678 1.00 0.00 C ATOM 621 CE LYS A 39 -24.729 1.940 -9.956 1.00 0.00 C ATOM 622 NZ LYS A 39 -25.490 1.493 -11.145 1.00 0.00 N ATOM 0 H LYS A 39 -22.425 -0.480 -8.378 1.00 0.00 H new ATOM 0 HA LYS A 39 -22.311 1.283 -5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -24.601 -0.352 -7.074 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -24.623 0.629 -5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -25.093 2.479 -6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -23.618 2.276 -7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -25.419 0.294 -8.746 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -26.372 1.754 -8.572 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -24.715 3.029 -9.914 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -23.693 1.611 -10.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -25.052 1.882 -12.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -25.481 0.454 -11.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -26.472 1.828 -11.075 1.00 0.00 H new ATOM 636 N SER A 40 -21.436 -0.510 -4.608 1.00 0.00 N ATOM 637 CA SER A 40 -20.955 -1.541 -3.703 1.00 0.00 C ATOM 638 C SER A 40 -21.376 -1.220 -2.269 1.00 0.00 C ATOM 639 O SER A 40 -21.991 -0.183 -2.016 1.00 0.00 O ATOM 640 CB SER A 40 -19.433 -1.683 -3.790 1.00 0.00 C ATOM 641 OG SER A 40 -18.987 -2.947 -3.305 1.00 0.00 O ATOM 0 H SER A 40 -21.107 0.431 -4.395 1.00 0.00 H new ATOM 0 HA SER A 40 -21.400 -2.490 -4.000 1.00 0.00 H new ATOM 0 HB2 SER A 40 -19.116 -1.559 -4.825 1.00 0.00 H new ATOM 0 HB3 SER A 40 -18.961 -0.887 -3.215 1.00 0.00 H new ATOM 0 HG SER A 40 -18.011 -3.000 -3.378 1.00 0.00 H new ATOM 647 N THR A 41 -21.031 -2.126 -1.368 1.00 0.00 N ATOM 648 CA THR A 41 -21.367 -1.951 0.037 1.00 0.00 C ATOM 649 C THR A 41 -20.095 -1.893 0.884 1.00 0.00 C ATOM 650 O THR A 41 -18.987 -1.996 0.359 1.00 0.00 O ATOM 651 CB THR A 41 -22.317 -3.080 0.440 1.00 0.00 C ATOM 652 OG1 THR A 41 -21.776 -4.233 -0.201 1.00 0.00 O ATOM 653 CG2 THR A 41 -23.706 -2.926 -0.180 1.00 0.00 C ATOM 0 H THR A 41 -20.522 -2.984 -1.581 1.00 0.00 H new ATOM 0 HA THR A 41 -21.877 -1.003 0.208 1.00 0.00 H new ATOM 0 HB THR A 41 -22.406 -3.109 1.526 1.00 0.00 H new ATOM 0 HG1 THR A 41 -22.330 -5.014 0.008 1.00 0.00 H new ATOM 0 HG21 THR A 41 -24.340 -3.753 0.138 1.00 0.00 H new ATOM 0 HG22 THR A 41 -24.147 -1.984 0.146 1.00 0.00 H new ATOM 0 HG23 THR A 41 -23.622 -2.931 -1.267 1.00 0.00 H new ATOM 661 N ALA A 42 -20.297 -1.731 2.184 1.00 0.00 N ATOM 662 CA ALA A 42 -19.180 -1.658 3.111 1.00 0.00 C ATOM 663 C ALA A 42 -18.947 -3.037 3.732 1.00 0.00 C ATOM 664 O ALA A 42 -19.874 -3.649 4.260 1.00 0.00 O ATOM 665 CB ALA A 42 -19.460 -0.584 4.165 1.00 0.00 C ATOM 0 H ALA A 42 -21.217 -1.648 2.617 1.00 0.00 H new ATOM 0 HA ALA A 42 -18.267 -1.373 2.589 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -18.622 -0.529 4.860 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -19.589 0.381 3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -20.369 -0.838 4.711 1.00 0.00 H new ATOM 671 N ASN A 43 -17.703 -3.487 3.646 1.00 0.00 N ATOM 672 CA ASN A 43 -17.336 -4.782 4.192 1.00 0.00 C ATOM 673 C ASN A 43 -15.886 -5.095 3.821 1.00 0.00 C ATOM 674 O ASN A 43 -15.163 -5.716 4.599 1.00 0.00 O ATOM 675 CB ASN A 43 -18.221 -5.892 3.619 1.00 0.00 C ATOM 676 CG ASN A 43 -18.150 -5.916 2.091 1.00 0.00 C ATOM 677 OD1 ASN A 43 -17.367 -6.636 1.492 1.00 0.00 O ATOM 678 ND2 ASN A 43 -19.008 -5.093 1.497 1.00 0.00 N ATOM 0 H ASN A 43 -16.937 -2.977 3.206 1.00 0.00 H new ATOM 0 HA ASN A 43 -17.464 -4.740 5.274 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -17.904 -6.856 4.017 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -19.253 -5.740 3.936 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -19.039 -5.036 0.479 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -19.636 -4.518 2.059 1.00 0.00 H new ATOM 685 N LYS A 44 -15.504 -4.653 2.631 1.00 0.00 N ATOM 686 CA LYS A 44 -14.153 -4.878 2.148 1.00 0.00 C ATOM 687 C LYS A 44 -13.441 -3.533 1.989 1.00 0.00 C ATOM 688 O LYS A 44 -14.035 -2.481 2.224 1.00 0.00 O ATOM 689 CB LYS A 44 -14.175 -5.717 0.868 1.00 0.00 C ATOM 690 CG LYS A 44 -14.958 -5.008 -0.240 1.00 0.00 C ATOM 691 CD LYS A 44 -14.823 -5.752 -1.569 1.00 0.00 C ATOM 692 CE LYS A 44 -14.960 -4.791 -2.751 1.00 0.00 C ATOM 693 NZ LYS A 44 -14.718 -5.501 -4.027 1.00 0.00 N ATOM 0 H LYS A 44 -16.107 -4.140 1.988 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.581 -5.458 2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.154 -5.904 0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.626 -6.688 1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.010 -4.942 0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.593 -3.987 -0.352 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.856 -6.253 -1.613 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.587 -6.527 -1.635 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.957 -4.351 -2.756 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.250 -3.970 -2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.815 -4.834 -4.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.757 -5.900 -4.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.411 -6.269 -4.134 1.00 0.00 H new ATOM 707 N TYR A 45 -12.180 -3.610 1.591 1.00 0.00 N ATOM 708 CA TYR A 45 -11.382 -2.412 1.398 1.00 0.00 C ATOM 709 C TYR A 45 -10.637 -2.458 0.062 1.00 0.00 C ATOM 710 O TYR A 45 -10.325 -3.535 -0.442 1.00 0.00 O ATOM 711 CB TYR A 45 -10.360 -2.399 2.537 1.00 0.00 C ATOM 712 CG TYR A 45 -10.437 -1.157 3.427 1.00 0.00 C ATOM 713 CD1 TYR A 45 -11.655 -0.553 3.666 1.00 0.00 C ATOM 714 CD2 TYR A 45 -9.289 -0.641 3.993 1.00 0.00 C ATOM 715 CE1 TYR A 45 -11.728 0.616 4.505 1.00 0.00 C ATOM 716 CE2 TYR A 45 -9.362 0.527 4.832 1.00 0.00 C ATOM 717 CZ TYR A 45 -10.576 1.098 5.045 1.00 0.00 C ATOM 718 OH TYR A 45 -10.646 2.201 5.837 1.00 0.00 O ATOM 0 H TYR A 45 -11.691 -4.484 1.397 1.00 0.00 H new ATOM 0 HA TYR A 45 -12.016 -1.525 1.394 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.507 -3.285 3.154 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.358 -2.468 2.113 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -12.554 -0.957 3.224 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.336 -1.113 3.807 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -12.674 1.098 4.701 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.471 0.940 5.282 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.748 2.433 6.155 1.00 0.00 H new ATOM 728 N GLN A 46 -10.377 -1.274 -0.475 1.00 0.00 N ATOM 729 CA GLN A 46 -9.677 -1.166 -1.743 1.00 0.00 C ATOM 730 C GLN A 46 -8.186 -0.914 -1.506 1.00 0.00 C ATOM 731 O GLN A 46 -7.817 -0.076 -0.684 1.00 0.00 O ATOM 732 CB GLN A 46 -10.287 -0.066 -2.614 1.00 0.00 C ATOM 733 CG GLN A 46 -9.927 -0.271 -4.087 1.00 0.00 C ATOM 734 CD GLN A 46 -10.925 0.446 -5.000 1.00 0.00 C ATOM 735 OE1 GLN A 46 -11.758 -0.162 -5.652 1.00 0.00 O ATOM 736 NE2 GLN A 46 -10.796 1.769 -5.008 1.00 0.00 N ATOM 0 H GLN A 46 -10.639 -0.382 -0.055 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.786 -2.110 -2.278 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.371 -0.064 -2.498 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.929 0.908 -2.280 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.921 0.105 -4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.917 -1.336 -4.318 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.077 2.215 -4.438 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.416 2.338 -5.584 1.00 0.00 H new ATOM 745 N VAL A 47 -7.370 -1.655 -2.240 1.00 0.00 N ATOM 746 CA VAL A 47 -5.928 -1.524 -2.119 1.00 0.00 C ATOM 747 C VAL A 47 -5.328 -1.257 -3.502 1.00 0.00 C ATOM 748 O VAL A 47 -5.633 -1.963 -4.462 1.00 0.00 O ATOM 749 CB VAL A 47 -5.342 -2.764 -1.443 1.00 0.00 C ATOM 750 CG1 VAL A 47 -3.848 -2.899 -1.741 1.00 0.00 C ATOM 751 CG2 VAL A 47 -5.601 -2.740 0.065 1.00 0.00 C ATOM 0 H VAL A 47 -7.680 -2.348 -2.921 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.674 -0.676 -1.483 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.845 -3.639 -1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.458 -3.789 -1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.698 -2.985 -2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.322 -2.019 -1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.174 -3.633 0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.139 -1.854 0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.675 -2.716 0.249 1.00 0.00 H new ATOM 761 N PHE A 48 -4.484 -0.237 -3.559 1.00 0.00 N ATOM 762 CA PHE A 48 -3.839 0.132 -4.808 1.00 0.00 C ATOM 763 C PHE A 48 -2.355 -0.240 -4.787 1.00 0.00 C ATOM 764 O PHE A 48 -1.535 0.494 -4.238 1.00 0.00 O ATOM 765 CB PHE A 48 -3.969 1.650 -4.948 1.00 0.00 C ATOM 766 CG PHE A 48 -4.723 2.095 -6.203 1.00 0.00 C ATOM 767 CD1 PHE A 48 -6.018 1.723 -6.387 1.00 0.00 C ATOM 768 CD2 PHE A 48 -4.097 2.863 -7.135 1.00 0.00 C ATOM 769 CE1 PHE A 48 -6.717 2.136 -7.552 1.00 0.00 C ATOM 770 CE2 PHE A 48 -4.796 3.277 -8.299 1.00 0.00 C ATOM 771 CZ PHE A 48 -6.091 2.904 -8.484 1.00 0.00 C ATOM 0 H PHE A 48 -4.232 0.345 -2.760 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.308 -0.395 -5.639 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.481 2.043 -4.070 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.972 2.091 -4.960 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.515 1.113 -5.647 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.068 3.158 -6.989 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.745 1.840 -7.698 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.299 3.888 -9.038 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.622 3.218 -9.371 1.00 0.00 H new ATOM 781 N PHE A 49 -2.054 -1.380 -5.394 1.00 0.00 N ATOM 782 CA PHE A 49 -0.684 -1.858 -5.453 1.00 0.00 C ATOM 783 C PHE A 49 0.148 -1.017 -6.423 1.00 0.00 C ATOM 784 O PHE A 49 -0.218 -0.860 -7.587 1.00 0.00 O ATOM 785 CB PHE A 49 -0.735 -3.300 -5.961 1.00 0.00 C ATOM 786 CG PHE A 49 -0.757 -4.352 -4.849 1.00 0.00 C ATOM 787 CD1 PHE A 49 -1.894 -4.566 -4.137 1.00 0.00 C ATOM 788 CD2 PHE A 49 0.365 -5.070 -4.573 1.00 0.00 C ATOM 789 CE1 PHE A 49 -1.914 -5.541 -3.105 1.00 0.00 C ATOM 790 CE2 PHE A 49 0.346 -6.047 -3.540 1.00 0.00 C ATOM 791 CZ PHE A 49 -0.794 -6.260 -2.829 1.00 0.00 C ATOM 0 H PHE A 49 -2.737 -1.986 -5.849 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.223 -1.790 -4.468 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.622 -3.424 -6.582 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.129 -3.480 -6.600 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.783 -3.994 -4.356 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.269 -4.898 -5.138 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.818 -5.711 -2.540 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.235 -6.619 -3.320 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.809 -7.002 -2.044 1.00 0.00 H new ATOM 801 N PHE A 50 1.253 -0.498 -5.909 1.00 0.00 N ATOM 802 CA PHE A 50 2.141 0.322 -6.715 1.00 0.00 C ATOM 803 C PHE A 50 3.180 -0.539 -7.435 1.00 0.00 C ATOM 804 O PHE A 50 3.300 -0.479 -8.658 1.00 0.00 O ATOM 805 CB PHE A 50 2.861 1.274 -5.757 1.00 0.00 C ATOM 806 CG PHE A 50 2.090 2.563 -5.465 1.00 0.00 C ATOM 807 CD1 PHE A 50 0.756 2.510 -5.197 1.00 0.00 C ATOM 808 CD2 PHE A 50 2.734 3.760 -5.470 1.00 0.00 C ATOM 809 CE1 PHE A 50 0.039 3.707 -4.925 1.00 0.00 C ATOM 810 CE2 PHE A 50 2.018 4.955 -5.197 1.00 0.00 C ATOM 811 CZ PHE A 50 0.686 4.903 -4.931 1.00 0.00 C ATOM 0 H PHE A 50 1.554 -0.630 -4.943 1.00 0.00 H new ATOM 0 HA PHE A 50 1.568 0.860 -7.470 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.049 0.754 -4.817 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.833 1.531 -6.179 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.243 1.560 -5.191 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.792 3.802 -5.682 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.019 3.666 -4.714 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.531 5.905 -5.201 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.141 5.812 -4.724 1.00 0.00 H new ATOM 821 N GLY A 51 3.904 -1.319 -6.648 1.00 0.00 N ATOM 822 CA GLY A 51 4.929 -2.192 -7.196 1.00 0.00 C ATOM 823 C GLY A 51 4.465 -2.826 -8.508 1.00 0.00 C ATOM 824 O GLY A 51 5.260 -3.005 -9.431 1.00 0.00 O ATOM 0 H GLY A 51 3.802 -1.365 -5.634 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.843 -1.623 -7.366 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.169 -2.974 -6.475 1.00 0.00 H new ATOM 828 N THR A 52 3.180 -3.148 -8.551 1.00 0.00 N ATOM 829 CA THR A 52 2.602 -3.759 -9.735 1.00 0.00 C ATOM 830 C THR A 52 1.780 -2.732 -10.517 1.00 0.00 C ATOM 831 O THR A 52 1.616 -2.855 -11.729 1.00 0.00 O ATOM 832 CB THR A 52 1.789 -4.975 -9.292 1.00 0.00 C ATOM 833 OG1 THR A 52 1.368 -4.649 -7.969 1.00 0.00 O ATOM 834 CG2 THR A 52 2.654 -6.224 -9.109 1.00 0.00 C ATOM 0 H THR A 52 2.524 -2.997 -7.785 1.00 0.00 H new ATOM 0 HA THR A 52 3.377 -4.101 -10.421 1.00 0.00 H new ATOM 0 HB THR A 52 1.010 -5.177 -10.027 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.832 -5.385 -7.606 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.027 -7.058 -8.794 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.140 -6.472 -10.053 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.412 -6.033 -8.350 1.00 0.00 H new ATOM 842 N HIS A 53 1.285 -1.740 -9.789 1.00 0.00 N ATOM 843 CA HIS A 53 0.484 -0.692 -10.399 1.00 0.00 C ATOM 844 C HIS A 53 -0.907 -1.236 -10.731 1.00 0.00 C ATOM 845 O HIS A 53 -1.493 -0.875 -11.750 1.00 0.00 O ATOM 846 CB HIS A 53 1.198 -0.104 -11.618 1.00 0.00 C ATOM 847 CG HIS A 53 1.258 1.405 -11.627 1.00 0.00 C ATOM 848 ND1 HIS A 53 2.287 2.111 -12.223 1.00 0.00 N ATOM 849 CD2 HIS A 53 0.406 2.333 -11.105 1.00 0.00 C ATOM 850 CE1 HIS A 53 2.056 3.405 -12.061 1.00 0.00 C ATOM 851 NE2 HIS A 53 0.890 3.541 -11.368 1.00 0.00 N ATOM 0 H HIS A 53 1.423 -1.641 -8.783 1.00 0.00 H new ATOM 0 HA HIS A 53 0.355 0.130 -9.694 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.214 -0.498 -11.656 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.691 -0.442 -12.521 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.507 2.121 -10.569 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.681 4.211 -12.416 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.460 4.425 -11.096 1.00 0.00 H new ATOM 859 N GLU A 54 -1.395 -2.097 -9.851 1.00 0.00 N ATOM 860 CA GLU A 54 -2.706 -2.695 -10.038 1.00 0.00 C ATOM 861 C GLU A 54 -3.563 -2.498 -8.786 1.00 0.00 C ATOM 862 O GLU A 54 -3.042 -2.187 -7.715 1.00 0.00 O ATOM 863 CB GLU A 54 -2.587 -4.179 -10.393 1.00 0.00 C ATOM 864 CG GLU A 54 -2.050 -4.361 -11.814 1.00 0.00 C ATOM 865 CD GLU A 54 -3.050 -5.125 -12.684 1.00 0.00 C ATOM 866 OE1 GLU A 54 -3.218 -6.336 -12.425 1.00 0.00 O ATOM 867 OE2 GLU A 54 -3.622 -4.481 -13.590 1.00 0.00 O ATOM 0 H GLU A 54 -0.906 -2.395 -9.007 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.196 -2.194 -10.873 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.924 -4.674 -9.684 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.563 -4.657 -10.305 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.847 -3.386 -12.258 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.103 -4.900 -11.783 1.00 0.00 H new ATOM 874 N THR A 55 -4.862 -2.689 -8.960 1.00 0.00 N ATOM 875 CA THR A 55 -5.795 -2.537 -7.856 1.00 0.00 C ATOM 876 C THR A 55 -6.545 -3.846 -7.605 1.00 0.00 C ATOM 877 O THR A 55 -6.996 -4.498 -8.547 1.00 0.00 O ATOM 878 CB THR A 55 -6.720 -1.361 -8.179 1.00 0.00 C ATOM 879 OG1 THR A 55 -5.881 -0.215 -8.052 1.00 0.00 O ATOM 880 CG2 THR A 55 -7.797 -1.153 -7.111 1.00 0.00 C ATOM 0 H THR A 55 -5.291 -2.948 -9.849 1.00 0.00 H new ATOM 0 HA THR A 55 -5.273 -2.315 -6.925 1.00 0.00 H new ATOM 0 HB THR A 55 -7.194 -1.527 -9.146 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.351 0.480 -7.546 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.426 -0.307 -7.388 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.410 -2.051 -7.033 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.323 -0.953 -6.150 1.00 0.00 H new ATOM 888 N ALA A 56 -6.652 -4.196 -6.332 1.00 0.00 N ATOM 889 CA ALA A 56 -7.339 -5.417 -5.947 1.00 0.00 C ATOM 890 C ALA A 56 -8.110 -5.173 -4.648 1.00 0.00 C ATOM 891 O ALA A 56 -7.931 -4.146 -3.998 1.00 0.00 O ATOM 892 CB ALA A 56 -6.324 -6.554 -5.817 1.00 0.00 C ATOM 0 H ALA A 56 -6.274 -3.655 -5.554 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.060 -5.710 -6.710 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.839 -7.470 -5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.823 -6.705 -6.773 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.586 -6.298 -5.057 1.00 0.00 H new ATOM 898 N PHE A 57 -8.956 -6.138 -4.311 1.00 0.00 N ATOM 899 CA PHE A 57 -9.756 -6.042 -3.102 1.00 0.00 C ATOM 900 C PHE A 57 -9.053 -6.718 -1.923 1.00 0.00 C ATOM 901 O PHE A 57 -8.803 -7.922 -1.952 1.00 0.00 O ATOM 902 CB PHE A 57 -11.074 -6.769 -3.378 1.00 0.00 C ATOM 903 CG PHE A 57 -10.917 -8.271 -3.621 1.00 0.00 C ATOM 904 CD1 PHE A 57 -10.680 -8.736 -4.876 1.00 0.00 C ATOM 905 CD2 PHE A 57 -11.016 -9.141 -2.580 1.00 0.00 C ATOM 906 CE1 PHE A 57 -10.533 -10.131 -5.100 1.00 0.00 C ATOM 907 CE2 PHE A 57 -10.871 -10.536 -2.804 1.00 0.00 C ATOM 908 CZ PHE A 57 -10.632 -11.001 -4.060 1.00 0.00 C ATOM 0 H PHE A 57 -9.104 -6.989 -4.854 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.915 -4.995 -2.844 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -11.745 -6.616 -2.533 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -11.550 -6.318 -4.249 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -10.603 -8.045 -5.703 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -11.205 -8.771 -1.583 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.343 -10.501 -6.097 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.950 -11.227 -1.978 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.521 -12.062 -4.231 1.00 0.00 H new ATOM 918 N LEU A 58 -8.754 -5.913 -0.913 1.00 0.00 N ATOM 919 CA LEU A 58 -8.084 -6.419 0.273 1.00 0.00 C ATOM 920 C LEU A 58 -8.618 -5.688 1.505 1.00 0.00 C ATOM 921 O LEU A 58 -9.461 -4.799 1.388 1.00 0.00 O ATOM 922 CB LEU A 58 -6.566 -6.325 0.112 1.00 0.00 C ATOM 923 CG LEU A 58 -5.901 -7.463 -0.666 1.00 0.00 C ATOM 924 CD1 LEU A 58 -4.478 -7.086 -1.081 1.00 0.00 C ATOM 925 CD2 LEU A 58 -5.939 -8.768 0.131 1.00 0.00 C ATOM 0 H LEU A 58 -8.963 -4.915 -0.892 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.301 -7.478 0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.331 -5.385 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.118 -6.280 1.104 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.470 -7.628 -1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.029 -7.912 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.507 -6.200 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.883 -6.877 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.460 -9.560 -0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.409 -8.634 1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.975 -9.041 0.332 1.00 0.00 H new ATOM 937 N GLY A 59 -8.108 -6.089 2.660 1.00 0.00 N ATOM 938 CA GLY A 59 -8.524 -5.482 3.913 1.00 0.00 C ATOM 939 C GLY A 59 -7.312 -5.081 4.757 1.00 0.00 C ATOM 940 O GLY A 59 -6.188 -5.048 4.259 1.00 0.00 O ATOM 0 H GLY A 59 -7.410 -6.827 2.755 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.137 -4.604 3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.145 -6.182 4.472 1.00 0.00 H new ATOM 944 N PRO A 60 -7.589 -4.776 6.053 1.00 0.00 N ATOM 945 CA PRO A 60 -6.535 -4.378 6.970 1.00 0.00 C ATOM 946 C PRO A 60 -5.694 -5.584 7.397 1.00 0.00 C ATOM 947 O PRO A 60 -4.582 -5.422 7.895 1.00 0.00 O ATOM 948 CB PRO A 60 -7.254 -3.715 8.133 1.00 0.00 C ATOM 949 CG PRO A 60 -8.700 -4.178 8.047 1.00 0.00 C ATOM 950 CD PRO A 60 -8.909 -4.804 6.678 1.00 0.00 C ATOM 0 HA PRO A 60 -5.821 -3.691 6.516 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.807 -4.004 9.084 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.187 -2.629 8.066 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.917 -4.900 8.834 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.379 -3.337 8.190 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.286 -5.823 6.762 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.637 -4.242 6.092 1.00 0.00 H new ATOM 958 N LYS A 61 -6.258 -6.763 7.185 1.00 0.00 N ATOM 959 CA LYS A 61 -5.575 -7.994 7.540 1.00 0.00 C ATOM 960 C LYS A 61 -4.404 -8.218 6.582 1.00 0.00 C ATOM 961 O LYS A 61 -3.387 -8.798 6.964 1.00 0.00 O ATOM 962 CB LYS A 61 -6.563 -9.162 7.586 1.00 0.00 C ATOM 963 CG LYS A 61 -7.489 -9.144 6.368 1.00 0.00 C ATOM 964 CD LYS A 61 -7.979 -10.553 6.030 1.00 0.00 C ATOM 965 CE LYS A 61 -9.386 -10.518 5.434 1.00 0.00 C ATOM 966 NZ LYS A 61 -9.340 -10.780 3.978 1.00 0.00 N ATOM 0 H LYS A 61 -7.181 -6.892 6.771 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.157 -7.920 8.544 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.016 -10.104 7.618 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.156 -9.106 8.499 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.343 -8.496 6.566 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.961 -8.724 5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.293 -11.020 5.323 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.977 -11.168 6.930 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.013 -11.263 5.924 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.842 -9.546 5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.304 -10.752 3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.759 -10.054 3.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.925 -11.718 3.807 1.00 0.00 H new ATOM 980 N ASP A 62 -4.583 -7.745 5.359 1.00 0.00 N ATOM 981 CA ASP A 62 -3.553 -7.887 4.343 1.00 0.00 C ATOM 982 C ASP A 62 -2.669 -6.640 4.343 1.00 0.00 C ATOM 983 O ASP A 62 -1.721 -6.544 3.565 1.00 0.00 O ATOM 984 CB ASP A 62 -4.170 -8.028 2.949 1.00 0.00 C ATOM 985 CG ASP A 62 -4.538 -9.458 2.547 1.00 0.00 C ATOM 986 OD1 ASP A 62 -5.628 -9.902 2.965 1.00 0.00 O ATOM 987 OD2 ASP A 62 -3.720 -10.074 1.830 1.00 0.00 O ATOM 0 H ASP A 62 -5.426 -7.263 5.047 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.973 -8.781 4.573 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.067 -7.411 2.901 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.469 -7.629 2.216 1.00 0.00 H new ATOM 992 N LEU A 63 -3.008 -5.712 5.227 1.00 0.00 N ATOM 993 CA LEU A 63 -2.256 -4.474 5.340 1.00 0.00 C ATOM 994 C LEU A 63 -1.463 -4.481 6.649 1.00 0.00 C ATOM 995 O LEU A 63 -1.991 -4.856 7.696 1.00 0.00 O ATOM 996 CB LEU A 63 -3.183 -3.267 5.190 1.00 0.00 C ATOM 997 CG LEU A 63 -2.827 -2.282 4.075 1.00 0.00 C ATOM 998 CD1 LEU A 63 -1.326 -2.307 3.780 1.00 0.00 C ATOM 999 CD2 LEU A 63 -3.662 -2.546 2.821 1.00 0.00 C ATOM 0 H LEU A 63 -3.794 -5.793 5.872 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.533 -4.394 4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.196 -3.631 5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.197 -2.725 6.136 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.071 -1.277 4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.100 -1.598 2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.774 -2.032 4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.033 -3.309 3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.388 -1.832 2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.473 -3.559 2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.720 -2.436 3.059 1.00 0.00 H new ATOM 1011 N PHE A 64 -0.210 -4.064 6.548 1.00 0.00 N ATOM 1012 CA PHE A 64 0.660 -4.017 7.710 1.00 0.00 C ATOM 1013 C PHE A 64 1.400 -2.681 7.787 1.00 0.00 C ATOM 1014 O PHE A 64 1.835 -2.148 6.768 1.00 0.00 O ATOM 1015 CB PHE A 64 1.681 -5.144 7.550 1.00 0.00 C ATOM 1016 CG PHE A 64 1.798 -6.057 8.773 1.00 0.00 C ATOM 1017 CD1 PHE A 64 0.882 -7.041 8.978 1.00 0.00 C ATOM 1018 CD2 PHE A 64 2.820 -5.883 9.655 1.00 0.00 C ATOM 1019 CE1 PHE A 64 0.991 -7.887 10.113 1.00 0.00 C ATOM 1020 CE2 PHE A 64 2.927 -6.729 10.790 1.00 0.00 C ATOM 1021 CZ PHE A 64 2.012 -7.713 10.996 1.00 0.00 C ATOM 0 H PHE A 64 0.224 -3.755 5.678 1.00 0.00 H new ATOM 0 HA PHE A 64 0.071 -4.128 8.620 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.408 -5.747 6.684 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.658 -4.708 7.340 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.072 -7.179 8.277 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.548 -5.103 9.492 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.264 -8.669 10.276 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.737 -6.591 11.491 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.095 -8.356 11.860 1.00 0.00 H new ATOM 1031 N PRO A 65 1.525 -2.164 9.039 1.00 0.00 N ATOM 1032 CA PRO A 65 2.207 -0.901 9.263 1.00 0.00 C ATOM 1033 C PRO A 65 3.723 -1.066 9.144 1.00 0.00 C ATOM 1034 O PRO A 65 4.224 -2.186 9.065 1.00 0.00 O ATOM 1035 CB PRO A 65 1.765 -0.455 10.648 1.00 0.00 C ATOM 1036 CG PRO A 65 1.226 -1.700 11.334 1.00 0.00 C ATOM 1037 CD PRO A 65 1.023 -2.767 10.270 1.00 0.00 C ATOM 0 HA PRO A 65 1.953 -0.149 8.516 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.599 -0.031 11.207 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.999 0.318 10.584 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.923 -2.048 12.096 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.285 -1.481 11.839 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.568 -3.679 10.515 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.028 -3.039 10.178 1.00 0.00 H new ATOM 1045 N TYR A 66 4.411 0.067 9.134 1.00 0.00 N ATOM 1046 CA TYR A 66 5.859 0.062 9.025 1.00 0.00 C ATOM 1047 C TYR A 66 6.511 -0.176 10.389 1.00 0.00 C ATOM 1048 O TYR A 66 7.477 -0.929 10.496 1.00 0.00 O ATOM 1049 CB TYR A 66 6.249 1.452 8.522 1.00 0.00 C ATOM 1050 CG TYR A 66 7.723 1.804 8.744 1.00 0.00 C ATOM 1051 CD1 TYR A 66 8.668 1.427 7.813 1.00 0.00 C ATOM 1052 CD2 TYR A 66 8.104 2.498 9.874 1.00 0.00 C ATOM 1053 CE1 TYR A 66 10.055 1.756 8.021 1.00 0.00 C ATOM 1054 CE2 TYR A 66 9.490 2.828 10.082 1.00 0.00 C ATOM 1055 CZ TYR A 66 10.397 2.442 9.146 1.00 0.00 C ATOM 1056 OH TYR A 66 11.706 2.754 9.342 1.00 0.00 O ATOM 0 H TYR A 66 3.991 0.994 9.200 1.00 0.00 H new ATOM 0 HA TYR A 66 6.191 -0.732 8.356 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.027 1.517 7.457 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.629 2.196 9.023 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.368 0.885 6.928 1.00 0.00 H new ATOM 0 HD2 TYR A 66 7.363 2.794 10.602 1.00 0.00 H new ATOM 0 HE1 TYR A 66 10.806 1.465 7.301 1.00 0.00 H new ATOM 0 HE2 TYR A 66 9.802 3.370 10.962 1.00 0.00 H new ATOM 0 HH TYR A 66 11.803 3.245 10.185 1.00 0.00 H new ATOM 1066 N GLU A 67 5.955 0.480 11.397 1.00 0.00 N ATOM 1067 CA GLU A 67 6.471 0.350 12.749 1.00 0.00 C ATOM 1068 C GLU A 67 6.582 -1.126 13.134 1.00 0.00 C ATOM 1069 O GLU A 67 7.631 -1.573 13.598 1.00 0.00 O ATOM 1070 CB GLU A 67 5.592 1.110 13.746 1.00 0.00 C ATOM 1071 CG GLU A 67 5.929 2.604 13.743 1.00 0.00 C ATOM 1072 CD GLU A 67 5.867 3.181 15.158 1.00 0.00 C ATOM 1073 OE1 GLU A 67 6.902 3.089 15.854 1.00 0.00 O ATOM 1074 OE2 GLU A 67 4.787 3.701 15.513 1.00 0.00 O ATOM 0 H GLU A 67 5.153 1.103 11.305 1.00 0.00 H new ATOM 0 HA GLU A 67 7.467 0.791 12.781 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.541 0.970 13.492 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.735 0.703 14.747 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.925 2.755 13.328 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.231 3.137 13.098 1.00 0.00 H new ATOM 1081 N GLU A 68 5.488 -1.845 12.929 1.00 0.00 N ATOM 1082 CA GLU A 68 5.451 -3.261 13.247 1.00 0.00 C ATOM 1083 C GLU A 68 6.389 -4.040 12.321 1.00 0.00 C ATOM 1084 O GLU A 68 6.975 -5.042 12.726 1.00 0.00 O ATOM 1085 CB GLU A 68 4.023 -3.805 13.164 1.00 0.00 C ATOM 1086 CG GLU A 68 3.119 -3.131 14.198 1.00 0.00 C ATOM 1087 CD GLU A 68 1.704 -3.713 14.152 1.00 0.00 C ATOM 1088 OE1 GLU A 68 1.604 -4.952 14.024 1.00 0.00 O ATOM 1089 OE2 GLU A 68 0.755 -2.904 14.247 1.00 0.00 O ATOM 0 H GLU A 68 4.619 -1.472 12.546 1.00 0.00 H new ATOM 0 HA GLU A 68 5.796 -3.391 14.273 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.624 -3.639 12.163 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.030 -4.882 13.329 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.539 -3.264 15.195 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.081 -2.058 14.009 1.00 0.00 H new ATOM 1096 N SER A 69 6.499 -3.548 11.096 1.00 0.00 N ATOM 1097 CA SER A 69 7.355 -4.185 10.110 1.00 0.00 C ATOM 1098 C SER A 69 8.822 -4.039 10.517 1.00 0.00 C ATOM 1099 O SER A 69 9.554 -5.026 10.576 1.00 0.00 O ATOM 1100 CB SER A 69 7.130 -3.588 8.718 1.00 0.00 C ATOM 1101 OG SER A 69 8.181 -2.705 8.339 1.00 0.00 O ATOM 0 H SER A 69 6.010 -2.717 10.764 1.00 0.00 H new ATOM 0 HA SER A 69 7.099 -5.244 10.069 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.052 -4.393 7.987 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.182 -3.050 8.703 1.00 0.00 H new ATOM 0 HG SER A 69 8.106 -1.870 8.847 1.00 0.00 H new ATOM 1107 N LYS A 70 9.208 -2.801 10.789 1.00 0.00 N ATOM 1108 CA LYS A 70 10.575 -2.514 11.190 1.00 0.00 C ATOM 1109 C LYS A 70 10.828 -3.101 12.579 1.00 0.00 C ATOM 1110 O LYS A 70 11.970 -3.167 13.030 1.00 0.00 O ATOM 1111 CB LYS A 70 10.857 -1.013 11.094 1.00 0.00 C ATOM 1112 CG LYS A 70 10.640 -0.328 12.446 1.00 0.00 C ATOM 1113 CD LYS A 70 10.046 1.071 12.261 1.00 0.00 C ATOM 1114 CE LYS A 70 9.763 1.727 13.613 1.00 0.00 C ATOM 1115 NZ LYS A 70 11.030 2.050 14.309 1.00 0.00 N ATOM 0 H LYS A 70 8.598 -1.985 10.740 1.00 0.00 H new ATOM 0 HA LYS A 70 11.281 -2.991 10.510 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.882 -0.852 10.761 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.205 -0.564 10.345 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.973 -0.932 13.061 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.588 -0.257 12.979 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.736 1.691 11.689 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.124 1.005 11.684 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.179 2.636 13.468 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.163 1.058 14.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.829 2.642 15.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.492 1.170 14.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.660 2.565 13.661 1.00 0.00 H new ATOM 1129 N GLU A 71 9.743 -3.511 13.220 1.00 0.00 N ATOM 1130 CA GLU A 71 9.833 -4.091 14.549 1.00 0.00 C ATOM 1131 C GLU A 71 10.355 -5.528 14.469 1.00 0.00 C ATOM 1132 O GLU A 71 11.232 -5.917 15.238 1.00 0.00 O ATOM 1133 CB GLU A 71 8.481 -4.038 15.263 1.00 0.00 C ATOM 1134 CG GLU A 71 8.563 -3.182 16.529 1.00 0.00 C ATOM 1135 CD GLU A 71 8.622 -4.060 17.781 1.00 0.00 C ATOM 1136 OE1 GLU A 71 9.351 -5.073 17.730 1.00 0.00 O ATOM 1137 OE2 GLU A 71 7.935 -3.697 18.761 1.00 0.00 O ATOM 0 H GLU A 71 8.797 -3.453 12.843 1.00 0.00 H new ATOM 0 HA GLU A 71 10.539 -3.501 15.133 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.727 -3.629 14.591 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.163 -5.048 15.522 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.446 -2.545 16.485 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.697 -2.523 16.583 1.00 0.00 H new ATOM 1144 N LYS A 72 9.792 -6.276 13.531 1.00 0.00 N ATOM 1145 CA LYS A 72 10.189 -7.659 13.340 1.00 0.00 C ATOM 1146 C LYS A 72 11.032 -7.774 12.068 1.00 0.00 C ATOM 1147 O LYS A 72 12.236 -8.015 12.136 1.00 0.00 O ATOM 1148 CB LYS A 72 8.964 -8.575 13.350 1.00 0.00 C ATOM 1149 CG LYS A 72 7.731 -7.847 12.810 1.00 0.00 C ATOM 1150 CD LYS A 72 6.725 -8.835 12.218 1.00 0.00 C ATOM 1151 CE LYS A 72 7.202 -9.357 10.862 1.00 0.00 C ATOM 1152 NZ LYS A 72 6.110 -10.079 10.170 1.00 0.00 N ATOM 0 H LYS A 72 9.064 -5.949 12.895 1.00 0.00 H new ATOM 0 HA LYS A 72 10.815 -7.992 14.168 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.162 -9.460 12.745 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.771 -8.920 14.366 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.259 -7.279 13.612 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.033 -7.130 12.047 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.584 -9.670 12.904 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.756 -8.349 12.104 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.544 -8.526 10.246 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.054 -10.022 11.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.451 -10.427 9.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.803 -10.884 10.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.308 -9.434 10.020 1.00 0.00 H new ATOM 1166 N PHE A 73 10.365 -7.592 10.937 1.00 0.00 N ATOM 1167 CA PHE A 73 11.038 -7.672 9.651 1.00 0.00 C ATOM 1168 C PHE A 73 10.647 -6.495 8.755 1.00 0.00 C ATOM 1169 O PHE A 73 11.372 -5.505 8.672 1.00 0.00 O ATOM 1170 CB PHE A 73 10.586 -8.974 8.989 1.00 0.00 C ATOM 1171 CG PHE A 73 11.323 -10.217 9.493 1.00 0.00 C ATOM 1172 CD1 PHE A 73 10.874 -10.875 10.595 1.00 0.00 C ATOM 1173 CD2 PHE A 73 12.429 -10.664 8.839 1.00 0.00 C ATOM 1174 CE1 PHE A 73 11.559 -12.028 11.063 1.00 0.00 C ATOM 1175 CE2 PHE A 73 13.114 -11.816 9.307 1.00 0.00 C ATOM 1176 CZ PHE A 73 12.664 -12.474 10.408 1.00 0.00 C ATOM 0 H PHE A 73 9.367 -7.390 10.885 1.00 0.00 H new ATOM 0 HA PHE A 73 12.118 -7.643 9.794 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.517 -9.104 9.159 1.00 0.00 H new ATOM 0 HB3 PHE A 73 10.730 -8.891 7.912 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.996 -10.521 11.115 1.00 0.00 H new ATOM 0 HD2 PHE A 73 12.786 -10.142 7.963 1.00 0.00 H new ATOM 0 HE1 PHE A 73 11.202 -12.550 11.939 1.00 0.00 H new ATOM 0 HE2 PHE A 73 13.993 -12.170 8.788 1.00 0.00 H new ATOM 0 HZ PHE A 73 13.184 -13.351 10.763 1.00 0.00 H new ATOM 1186 N GLY A 74 9.502 -6.644 8.105 1.00 0.00 N ATOM 1187 CA GLY A 74 9.005 -5.605 7.217 1.00 0.00 C ATOM 1188 C GLY A 74 9.854 -5.517 5.948 1.00 0.00 C ATOM 1189 O GLY A 74 9.921 -4.466 5.314 1.00 0.00 O ATOM 0 H GLY A 74 8.904 -7.468 8.175 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.969 -5.813 6.952 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.015 -4.645 7.733 1.00 0.00 H new ATOM 1193 N LYS A 75 10.482 -6.636 5.616 1.00 0.00 N ATOM 1194 CA LYS A 75 11.326 -6.698 4.433 1.00 0.00 C ATOM 1195 C LYS A 75 10.985 -7.959 3.637 1.00 0.00 C ATOM 1196 O LYS A 75 11.523 -9.032 3.905 1.00 0.00 O ATOM 1197 CB LYS A 75 12.801 -6.596 4.822 1.00 0.00 C ATOM 1198 CG LYS A 75 13.167 -7.646 5.872 1.00 0.00 C ATOM 1199 CD LYS A 75 13.952 -8.799 5.244 1.00 0.00 C ATOM 1200 CE LYS A 75 15.102 -9.238 6.153 1.00 0.00 C ATOM 1201 NZ LYS A 75 16.350 -9.386 5.372 1.00 0.00 N ATOM 0 H LYS A 75 10.424 -7.506 6.145 1.00 0.00 H new ATOM 0 HA LYS A 75 11.133 -5.846 3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.424 -6.729 3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.010 -5.600 5.211 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.761 -7.185 6.661 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.260 -8.030 6.339 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.285 -9.642 5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.346 -8.491 4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.247 -8.505 6.946 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.853 -10.184 6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.121 -9.684 6.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 16.213 -10.102 4.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.595 -8.476 4.933 1.00 0.00 H new ATOM 1215 N PRO A 76 10.070 -7.783 2.645 1.00 0.00 N ATOM 1216 CA PRO A 76 9.652 -8.893 1.806 1.00 0.00 C ATOM 1217 C PRO A 76 10.737 -9.251 0.790 1.00 0.00 C ATOM 1218 O PRO A 76 11.755 -8.567 0.696 1.00 0.00 O ATOM 1219 CB PRO A 76 8.358 -8.431 1.158 1.00 0.00 C ATOM 1220 CG PRO A 76 8.343 -6.917 1.290 1.00 0.00 C ATOM 1221 CD PRO A 76 9.412 -6.527 2.298 1.00 0.00 C ATOM 0 HA PRO A 76 9.492 -9.811 2.371 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.316 -8.732 0.111 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.494 -8.875 1.652 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.538 -6.448 0.326 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.363 -6.572 1.620 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.118 -5.815 1.871 1.00 0.00 H new ATOM 0 HD3 PRO A 76 8.974 -6.054 3.177 1.00 0.00 H new ATOM 1229 N ASN A 77 10.482 -10.323 0.052 1.00 0.00 N ATOM 1230 CA ASN A 77 11.425 -10.779 -0.955 1.00 0.00 C ATOM 1231 C ASN A 77 11.838 -9.597 -1.833 1.00 0.00 C ATOM 1232 O ASN A 77 11.006 -8.767 -2.198 1.00 0.00 O ATOM 1233 CB ASN A 77 10.793 -11.840 -1.858 1.00 0.00 C ATOM 1234 CG ASN A 77 10.002 -12.859 -1.037 1.00 0.00 C ATOM 1235 OD1 ASN A 77 10.484 -13.926 -0.693 1.00 0.00 O ATOM 1236 ND2 ASN A 77 8.763 -12.473 -0.743 1.00 0.00 N ATOM 0 H ASN A 77 9.636 -10.888 0.132 1.00 0.00 H new ATOM 0 HA ASN A 77 12.287 -11.207 -0.442 1.00 0.00 H new ATOM 0 HB2 ASN A 77 10.134 -11.361 -2.582 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.571 -12.350 -2.425 1.00 0.00 H new ATOM 0 HD21 ASN A 77 8.154 -13.084 -0.198 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.422 -11.566 -1.062 1.00 0.00 H new ATOM 1243 N LYS A 78 13.126 -9.556 -2.147 1.00 0.00 N ATOM 1244 CA LYS A 78 13.661 -8.489 -2.975 1.00 0.00 C ATOM 1245 C LYS A 78 13.582 -8.903 -4.445 1.00 0.00 C ATOM 1246 O LYS A 78 14.527 -9.481 -4.983 1.00 0.00 O ATOM 1247 CB LYS A 78 15.071 -8.111 -2.517 1.00 0.00 C ATOM 1248 CG LYS A 78 15.603 -6.915 -3.310 1.00 0.00 C ATOM 1249 CD LYS A 78 15.351 -5.605 -2.560 1.00 0.00 C ATOM 1250 CE LYS A 78 16.592 -4.709 -2.590 1.00 0.00 C ATOM 1251 NZ LYS A 78 16.875 -4.171 -1.242 1.00 0.00 N ATOM 0 H LYS A 78 13.814 -10.245 -1.842 1.00 0.00 H new ATOM 0 HA LYS A 78 13.063 -7.585 -2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.060 -7.871 -1.454 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.739 -8.963 -2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.672 -7.037 -3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.121 -6.878 -4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.508 -5.080 -3.010 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.078 -5.820 -1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.450 -5.278 -2.948 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.438 -3.888 -3.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.720 -3.566 -1.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.062 -3.611 -0.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.042 -4.957 -0.582 1.00 0.00 H new ATOM 1265 N ARG A 79 12.448 -8.591 -5.055 1.00 0.00 N ATOM 1266 CA ARG A 79 12.234 -8.923 -6.454 1.00 0.00 C ATOM 1267 C ARG A 79 12.471 -7.693 -7.334 1.00 0.00 C ATOM 1268 O ARG A 79 12.871 -6.640 -6.840 1.00 0.00 O ATOM 1269 CB ARG A 79 10.814 -9.442 -6.686 1.00 0.00 C ATOM 1270 CG ARG A 79 10.647 -10.852 -6.118 1.00 0.00 C ATOM 1271 CD ARG A 79 11.116 -11.907 -7.124 1.00 0.00 C ATOM 1272 NE ARG A 79 11.784 -13.021 -6.415 1.00 0.00 N ATOM 1273 CZ ARG A 79 12.237 -14.130 -7.016 1.00 0.00 C ATOM 1274 NH1 ARG A 79 12.094 -14.280 -8.339 1.00 0.00 N ATOM 1275 NH2 ARG A 79 12.831 -15.088 -6.292 1.00 0.00 N ATOM 0 H ARG A 79 11.667 -8.112 -4.606 1.00 0.00 H new ATOM 0 HA ARG A 79 12.943 -9.707 -6.721 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.096 -8.770 -6.217 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.595 -9.448 -7.754 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.218 -10.946 -5.194 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.601 -11.025 -5.865 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.265 -12.284 -7.691 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.803 -11.458 -7.841 1.00 0.00 H new ATOM 0 HE ARG A 79 11.907 -12.940 -5.406 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.640 -13.550 -8.889 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.439 -15.124 -8.797 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.938 -14.973 -5.284 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.176 -15.932 -6.749 1.00 0.00 H new ATOM 1289 N LYS A 80 12.214 -7.870 -8.622 1.00 0.00 N ATOM 1290 CA LYS A 80 12.394 -6.788 -9.575 1.00 0.00 C ATOM 1291 C LYS A 80 11.339 -5.710 -9.321 1.00 0.00 C ATOM 1292 O LYS A 80 11.658 -4.523 -9.268 1.00 0.00 O ATOM 1293 CB LYS A 80 12.389 -7.328 -11.006 1.00 0.00 C ATOM 1294 CG LYS A 80 13.816 -7.478 -11.540 1.00 0.00 C ATOM 1295 CD LYS A 80 14.021 -8.857 -12.172 1.00 0.00 C ATOM 1296 CE LYS A 80 15.497 -9.094 -12.502 1.00 0.00 C ATOM 1297 NZ LYS A 80 15.790 -10.543 -12.553 1.00 0.00 N ATOM 0 H LYS A 80 11.883 -8.745 -9.027 1.00 0.00 H new ATOM 0 HA LYS A 80 13.369 -6.319 -9.439 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.883 -8.293 -11.033 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.824 -6.655 -11.651 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.015 -6.702 -12.279 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.529 -7.336 -10.728 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.668 -9.630 -11.489 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.424 -8.937 -13.080 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.740 -8.634 -13.460 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.125 -8.616 -11.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.795 -10.686 -12.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.577 -10.973 -11.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.204 -10.990 -13.287 1.00 0.00 H new ATOM 1311 N GLY A 81 10.102 -6.161 -9.171 1.00 0.00 N ATOM 1312 CA GLY A 81 8.998 -5.249 -8.924 1.00 0.00 C ATOM 1313 C GLY A 81 9.054 -4.693 -7.499 1.00 0.00 C ATOM 1314 O GLY A 81 8.290 -3.795 -7.149 1.00 0.00 O ATOM 0 H GLY A 81 9.840 -7.146 -9.216 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.033 -4.428 -9.640 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.052 -5.767 -9.079 1.00 0.00 H new ATOM 1318 N PHE A 82 9.963 -5.253 -6.716 1.00 0.00 N ATOM 1319 CA PHE A 82 10.128 -4.825 -5.336 1.00 0.00 C ATOM 1320 C PHE A 82 11.012 -3.578 -5.252 1.00 0.00 C ATOM 1321 O PHE A 82 10.699 -2.640 -4.519 1.00 0.00 O ATOM 1322 CB PHE A 82 10.812 -5.973 -4.591 1.00 0.00 C ATOM 1323 CG PHE A 82 11.199 -5.635 -3.149 1.00 0.00 C ATOM 1324 CD1 PHE A 82 12.165 -4.709 -2.905 1.00 0.00 C ATOM 1325 CD2 PHE A 82 10.578 -6.260 -2.115 1.00 0.00 C ATOM 1326 CE1 PHE A 82 12.525 -4.396 -1.568 1.00 0.00 C ATOM 1327 CE2 PHE A 82 10.938 -5.947 -0.777 1.00 0.00 C ATOM 1328 CZ PHE A 82 11.904 -5.022 -0.532 1.00 0.00 C ATOM 0 H PHE A 82 10.593 -5.999 -7.010 1.00 0.00 H new ATOM 0 HA PHE A 82 9.158 -4.580 -4.903 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.147 -6.836 -4.585 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.708 -6.265 -5.138 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.658 -4.212 -3.728 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.811 -6.995 -2.310 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.292 -3.661 -1.373 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.445 -6.444 0.045 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.178 -4.784 0.485 1.00 0.00 H new ATOM 1338 N SER A 83 12.098 -3.611 -6.010 1.00 0.00 N ATOM 1339 CA SER A 83 13.030 -2.496 -6.028 1.00 0.00 C ATOM 1340 C SER A 83 12.389 -1.290 -6.718 1.00 0.00 C ATOM 1341 O SER A 83 12.304 -0.209 -6.135 1.00 0.00 O ATOM 1342 CB SER A 83 14.333 -2.878 -6.732 1.00 0.00 C ATOM 1343 OG SER A 83 15.408 -2.015 -6.371 1.00 0.00 O ATOM 0 H SER A 83 12.353 -4.391 -6.616 1.00 0.00 H new ATOM 0 HA SER A 83 13.269 -2.234 -4.997 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.593 -3.906 -6.480 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.186 -2.842 -7.811 1.00 0.00 H new ATOM 0 HG SER A 83 16.222 -2.293 -6.840 1.00 0.00 H new ATOM 1349 N GLU A 84 11.952 -1.514 -7.947 1.00 0.00 N ATOM 1350 CA GLU A 84 11.321 -0.459 -8.723 1.00 0.00 C ATOM 1351 C GLU A 84 9.967 -0.092 -8.114 1.00 0.00 C ATOM 1352 O GLU A 84 9.491 1.030 -8.282 1.00 0.00 O ATOM 1353 CB GLU A 84 11.169 -0.872 -10.187 1.00 0.00 C ATOM 1354 CG GLU A 84 9.829 -1.575 -10.424 1.00 0.00 C ATOM 1355 CD GLU A 84 9.681 -1.994 -11.888 1.00 0.00 C ATOM 1356 OE1 GLU A 84 10.720 -2.346 -12.486 1.00 0.00 O ATOM 1357 OE2 GLU A 84 8.531 -1.951 -12.375 1.00 0.00 O ATOM 0 H GLU A 84 12.022 -2.412 -8.426 1.00 0.00 H new ATOM 0 HA GLU A 84 11.963 0.422 -8.693 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.240 0.008 -10.826 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.987 -1.536 -10.468 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.756 -2.453 -9.782 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.011 -0.909 -10.148 1.00 0.00 H new ATOM 1364 N GLY A 85 9.384 -1.057 -7.418 1.00 0.00 N ATOM 1365 CA GLY A 85 8.095 -0.847 -6.782 1.00 0.00 C ATOM 1366 C GLY A 85 8.226 0.067 -5.562 1.00 0.00 C ATOM 1367 O GLY A 85 7.572 1.105 -5.486 1.00 0.00 O ATOM 0 H GLY A 85 9.781 -1.987 -7.281 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.400 -0.407 -7.497 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.675 -1.806 -6.479 1.00 0.00 H new ATOM 1371 N LEU A 86 9.077 -0.353 -4.637 1.00 0.00 N ATOM 1372 CA LEU A 86 9.303 0.414 -3.424 1.00 0.00 C ATOM 1373 C LEU A 86 9.774 1.821 -3.797 1.00 0.00 C ATOM 1374 O LEU A 86 9.555 2.771 -3.048 1.00 0.00 O ATOM 1375 CB LEU A 86 10.262 -0.329 -2.491 1.00 0.00 C ATOM 1376 CG LEU A 86 11.082 0.545 -1.539 1.00 0.00 C ATOM 1377 CD1 LEU A 86 12.201 1.271 -2.287 1.00 0.00 C ATOM 1378 CD2 LEU A 86 10.181 1.517 -0.773 1.00 0.00 C ATOM 0 H LEU A 86 9.618 -1.215 -4.703 1.00 0.00 H new ATOM 0 HA LEU A 86 8.374 0.526 -2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.684 -1.036 -1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.951 -0.913 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 86 11.555 -0.104 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.768 1.885 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.865 0.539 -2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.769 1.907 -3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.789 2.126 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.660 2.164 -1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.452 0.955 -0.190 1.00 0.00 H new ATOM 1390 N TRP A 87 10.412 1.910 -4.956 1.00 0.00 N ATOM 1391 CA TRP A 87 10.916 3.185 -5.436 1.00 0.00 C ATOM 1392 C TRP A 87 9.791 3.875 -6.211 1.00 0.00 C ATOM 1393 O TRP A 87 9.787 5.098 -6.348 1.00 0.00 O ATOM 1394 CB TRP A 87 12.184 2.995 -6.268 1.00 0.00 C ATOM 1395 CG TRP A 87 13.389 3.792 -5.759 1.00 0.00 C ATOM 1396 CD1 TRP A 87 13.749 5.040 -6.085 1.00 0.00 C ATOM 1397 CD2 TRP A 87 14.381 3.340 -4.813 1.00 0.00 C ATOM 1398 NE1 TRP A 87 14.896 5.425 -5.421 1.00 0.00 N ATOM 1399 CE2 TRP A 87 15.293 4.358 -4.624 1.00 0.00 C ATOM 1400 CE3 TRP A 87 14.505 2.112 -4.141 1.00 0.00 C ATOM 1401 CZ2 TRP A 87 16.391 4.252 -3.764 1.00 0.00 C ATOM 1402 CZ3 TRP A 87 15.609 2.021 -3.286 1.00 0.00 C ATOM 1403 CH2 TRP A 87 16.536 3.037 -3.085 1.00 0.00 C ATOM 0 H TRP A 87 10.591 1.120 -5.576 1.00 0.00 H new ATOM 0 HA TRP A 87 11.208 3.823 -4.602 1.00 0.00 H new ATOM 0 HB2 TRP A 87 12.442 1.936 -6.282 1.00 0.00 H new ATOM 0 HB3 TRP A 87 11.977 3.286 -7.298 1.00 0.00 H new ATOM 0 HD1 TRP A 87 13.210 5.666 -6.780 1.00 0.00 H new ATOM 0 HE1 TRP A 87 15.366 6.327 -5.501 1.00 0.00 H new ATOM 0 HE3 TRP A 87 13.803 1.302 -4.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 17.090 5.065 -3.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 15.751 1.097 -2.745 1.00 0.00 H new ATOM 0 HH2 TRP A 87 17.364 2.889 -2.408 1.00 0.00 H new ATOM 1414 N GLU A 88 8.865 3.063 -6.697 1.00 0.00 N ATOM 1415 CA GLU A 88 7.738 3.580 -7.455 1.00 0.00 C ATOM 1416 C GLU A 88 6.800 4.368 -6.538 1.00 0.00 C ATOM 1417 O GLU A 88 6.054 5.229 -7.001 1.00 0.00 O ATOM 1418 CB GLU A 88 6.989 2.450 -8.165 1.00 0.00 C ATOM 1419 CG GLU A 88 7.543 2.229 -9.575 1.00 0.00 C ATOM 1420 CD GLU A 88 6.544 2.692 -10.636 1.00 0.00 C ATOM 1421 OE1 GLU A 88 5.702 1.856 -11.028 1.00 0.00 O ATOM 1422 OE2 GLU A 88 6.643 3.875 -11.030 1.00 0.00 O ATOM 0 H GLU A 88 8.872 2.050 -6.581 1.00 0.00 H new ATOM 0 HA GLU A 88 8.119 4.255 -8.221 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.077 1.530 -7.587 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.927 2.691 -8.221 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.480 2.774 -9.691 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.768 1.172 -9.719 1.00 0.00 H new ATOM 1429 N ILE A 89 6.868 4.044 -5.255 1.00 0.00 N ATOM 1430 CA ILE A 89 6.032 4.710 -4.270 1.00 0.00 C ATOM 1431 C ILE A 89 6.852 5.791 -3.562 1.00 0.00 C ATOM 1432 O ILE A 89 6.356 6.891 -3.321 1.00 0.00 O ATOM 1433 CB ILE A 89 5.409 3.688 -3.317 1.00 0.00 C ATOM 1434 CG1 ILE A 89 4.933 4.361 -2.028 1.00 0.00 C ATOM 1435 CG2 ILE A 89 6.376 2.536 -3.040 1.00 0.00 C ATOM 1436 CD1 ILE A 89 6.075 4.479 -1.018 1.00 0.00 C ATOM 0 H ILE A 89 7.489 3.329 -4.875 1.00 0.00 H new ATOM 0 HA ILE A 89 5.194 5.210 -4.756 1.00 0.00 H new ATOM 0 HB ILE A 89 4.531 3.260 -3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.539 5.352 -2.255 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.116 3.785 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.908 1.824 -2.360 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.623 2.035 -3.976 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.287 2.927 -2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.710 4.961 -0.111 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.450 3.485 -0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.880 5.076 -1.447 1.00 0.00 H new ATOM 1448 N GLU A 90 8.091 5.441 -3.251 1.00 0.00 N ATOM 1449 CA GLU A 90 8.983 6.368 -2.575 1.00 0.00 C ATOM 1450 C GLU A 90 9.475 7.437 -3.552 1.00 0.00 C ATOM 1451 O GLU A 90 9.801 8.551 -3.144 1.00 0.00 O ATOM 1452 CB GLU A 90 10.158 5.628 -1.933 1.00 0.00 C ATOM 1453 CG GLU A 90 9.828 5.211 -0.499 1.00 0.00 C ATOM 1454 CD GLU A 90 9.996 6.388 0.465 1.00 0.00 C ATOM 1455 OE1 GLU A 90 9.197 7.342 0.341 1.00 0.00 O ATOM 1456 OE2 GLU A 90 10.917 6.305 1.306 1.00 0.00 O ATOM 0 H GLU A 90 8.499 4.528 -3.455 1.00 0.00 H new ATOM 0 HA GLU A 90 8.428 6.861 -1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.403 4.746 -2.524 1.00 0.00 H new ATOM 0 HB3 GLU A 90 11.040 6.268 -1.935 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.804 4.839 -0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.479 4.391 -0.195 1.00 0.00 H new ATOM 1463 N ASN A 91 9.513 7.062 -4.821 1.00 0.00 N ATOM 1464 CA ASN A 91 9.959 7.975 -5.859 1.00 0.00 C ATOM 1465 C ASN A 91 8.983 7.920 -7.035 1.00 0.00 C ATOM 1466 O ASN A 91 9.366 7.570 -8.150 1.00 0.00 O ATOM 1467 CB ASN A 91 11.346 7.585 -6.378 1.00 0.00 C ATOM 1468 CG ASN A 91 12.285 7.240 -5.221 1.00 0.00 C ATOM 1469 OD1 ASN A 91 13.301 7.879 -5.000 1.00 0.00 O ATOM 1470 ND2 ASN A 91 11.894 6.195 -4.498 1.00 0.00 N ATOM 0 H ASN A 91 9.242 6.137 -5.155 1.00 0.00 H new ATOM 0 HA ASN A 91 10.002 8.976 -5.431 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.260 6.730 -7.049 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.765 8.406 -6.959 1.00 0.00 H new ATOM 0 HD21 ASN A 91 12.455 5.885 -3.705 1.00 0.00 H new ATOM 0 HD22 ASN A 91 11.033 5.704 -4.736 1.00 0.00 H new ATOM 1477 N ASN A 92 7.739 8.275 -6.747 1.00 0.00 N ATOM 1478 CA ASN A 92 6.704 8.270 -7.767 1.00 0.00 C ATOM 1479 C ASN A 92 7.040 9.317 -8.832 1.00 0.00 C ATOM 1480 O ASN A 92 7.017 10.516 -8.557 1.00 0.00 O ATOM 1481 CB ASN A 92 5.340 8.624 -7.170 1.00 0.00 C ATOM 1482 CG ASN A 92 5.426 9.893 -6.321 1.00 0.00 C ATOM 1483 OD1 ASN A 92 6.231 10.012 -5.413 1.00 0.00 O ATOM 1484 ND2 ASN A 92 4.551 10.835 -6.667 1.00 0.00 N ATOM 0 H ASN A 92 7.425 8.568 -5.822 1.00 0.00 H new ATOM 0 HA ASN A 92 6.660 7.270 -8.198 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.614 8.766 -7.971 1.00 0.00 H new ATOM 0 HB3 ASN A 92 4.981 7.796 -6.558 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.528 11.720 -6.161 1.00 0.00 H new ATOM 0 HD22 ASN A 92 3.904 10.671 -7.438 1.00 0.00 H new