USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 579 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: B 23 THR OG1 : rot 180:sc= -2.52! USER MOD Set 1.2: B 26 GLN : amide:sc= -1.82! C(o=-4.3!,f=-7.3!) USER MOD Set 2.1: A 23 THR OG1 : rot 140:sc= -1.54! USER MOD Set 2.2: A 26 GLN : amide:sc= -6.78! C(o=-8.3!,f=-5.7!) USER MOD Single : A 6 THR OG1 : rot 32:sc= 0.0649 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.043) USER MOD Single : A 16 ASN : amide:sc= -7.19! K(o=-7.2!,f=1) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.187 K(o=-0.19,f=-1.3) USER MOD Single : A 30 LYS NZ :NH3+ -166:sc= -0.0286 (180deg=-0.259) USER MOD Single : A 37 THR OG1 : rot -62:sc= 0.885 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -7.84! C(o=-7.8!,f=-3.5!) USER MOD Single : B 8 THR OG1 : rot -55:sc= 0.844 USER MOD Single : B 15 GLN : amide:sc= -1.36! C(o=-1.4!,f=-6.4!) USER MOD Single : B 16 ASN : amide:sc= -1.55 K(o=-1.5,f=-0.35) USER MOD Single : B 25 SER OG : rot 180:sc= 0 USER MOD Single : B 29 ASN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : B 30 LYS NZ :NH3+ 166:sc= -0.0489 (180deg=-0.293) USER MOD Single : B 37 THR OG1 : rot -106:sc= 1.11 USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N THR A 6 10.907 -6.662 0.039 1.00 0.00 N ATOM 75 CA THR A 6 10.700 -5.717 1.130 1.00 0.00 C ATOM 76 C THR A 6 9.437 -4.891 0.906 1.00 0.00 C ATOM 77 O THR A 6 8.770 -5.026 -0.120 1.00 0.00 O ATOM 78 CB THR A 6 11.901 -4.766 1.284 1.00 0.00 C ATOM 79 OG1 THR A 6 13.094 -5.520 1.531 1.00 0.00 O ATOM 80 CG2 THR A 6 11.672 -3.785 2.423 1.00 0.00 C ATOM 0 HA THR A 6 10.592 -6.303 2.042 1.00 0.00 H new ATOM 0 HB THR A 6 12.012 -4.203 0.357 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.035 -6.385 1.074 1.00 0.00 H new ATOM 0 HG21 THR A 6 12.534 -3.124 2.512 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.780 -3.193 2.219 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.538 -4.334 3.355 1.00 0.00 H new ATOM 88 N CYS A 7 9.109 -4.041 1.874 1.00 0.00 N ATOM 89 CA CYS A 7 7.914 -3.208 1.787 1.00 0.00 C ATOM 90 C CYS A 7 8.217 -1.764 2.173 1.00 0.00 C ATOM 91 O CYS A 7 7.338 -0.903 2.129 1.00 0.00 O ATOM 92 CB CYS A 7 6.810 -3.765 2.688 1.00 0.00 C ATOM 93 SG CYS A 7 6.237 -5.433 2.226 1.00 0.00 S ATOM 0 H CYS A 7 9.653 -3.911 2.727 1.00 0.00 H new ATOM 0 HA CYS A 7 7.574 -3.222 0.751 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.173 -3.790 3.715 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.960 -3.082 2.667 1.00 0.00 H new ATOM 98 N THR A 8 9.464 -1.503 2.556 1.00 0.00 N ATOM 99 CA THR A 8 9.871 -0.163 2.960 1.00 0.00 C ATOM 100 C THR A 8 10.038 0.749 1.750 1.00 0.00 C ATOM 101 O THR A 8 11.158 1.056 1.341 1.00 0.00 O ATOM 102 CB THR A 8 11.192 -0.190 3.752 1.00 0.00 C ATOM 103 OG1 THR A 8 11.539 1.135 4.172 1.00 0.00 O ATOM 104 CG2 THR A 8 12.317 -0.768 2.908 1.00 0.00 C ATOM 0 H THR A 8 10.207 -2.200 2.595 1.00 0.00 H new ATOM 0 HA THR A 8 9.080 0.227 3.601 1.00 0.00 H new ATOM 0 HB THR A 8 11.052 -0.824 4.627 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.379 1.109 4.676 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.240 -0.777 3.488 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.064 -1.786 2.613 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.455 -0.156 2.017 1.00 0.00 H new ATOM 112 N VAL A 9 8.916 1.182 1.182 1.00 0.00 N ATOM 113 CA VAL A 9 8.938 2.062 0.019 1.00 0.00 C ATOM 114 C VAL A 9 8.317 3.416 0.343 1.00 0.00 C ATOM 115 O VAL A 9 7.585 3.556 1.322 1.00 0.00 O ATOM 116 CB VAL A 9 8.188 1.439 -1.172 1.00 0.00 C ATOM 117 CG1 VAL A 9 8.223 2.370 -2.374 1.00 0.00 C ATOM 118 CG2 VAL A 9 8.775 0.080 -1.524 1.00 0.00 C ATOM 0 H VAL A 9 7.981 0.938 1.508 1.00 0.00 H new ATOM 0 HA VAL A 9 9.985 2.200 -0.253 1.00 0.00 H new ATOM 0 HB VAL A 9 7.147 1.295 -0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.687 1.911 -3.205 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.749 3.317 -2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.258 2.550 -2.665 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.231 -0.344 -2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.826 0.195 -1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.689 -0.587 -0.666 1.00 0.00 H new ATOM 128 N ALA A 10 8.611 4.410 -0.489 1.00 0.00 N ATOM 129 CA ALA A 10 8.073 5.751 -0.297 1.00 0.00 C ATOM 130 C ALA A 10 6.652 5.855 -0.842 1.00 0.00 C ATOM 131 O ALA A 10 6.374 5.425 -1.961 1.00 0.00 O ATOM 132 CB ALA A 10 8.973 6.782 -0.964 1.00 0.00 C ATOM 0 H ALA A 10 9.219 4.312 -1.302 1.00 0.00 H new ATOM 0 HA ALA A 10 8.040 5.953 0.774 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.559 7.779 -0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.970 6.733 -0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.036 6.574 -2.032 1.00 0.00 H new ATOM 138 N PRO A 11 5.735 6.424 -0.047 1.00 0.00 N ATOM 139 CA PRO A 11 4.333 6.574 -0.435 1.00 0.00 C ATOM 140 C PRO A 11 4.172 6.983 -1.895 1.00 0.00 C ATOM 141 O PRO A 11 3.203 6.605 -2.553 1.00 0.00 O ATOM 142 CB PRO A 11 3.846 7.682 0.494 1.00 0.00 C ATOM 143 CG PRO A 11 4.656 7.512 1.734 1.00 0.00 C ATOM 144 CD PRO A 11 5.995 6.966 1.299 1.00 0.00 C ATOM 0 HA PRO A 11 3.775 5.642 -0.348 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.999 8.667 0.052 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.780 7.587 0.700 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.775 8.463 2.253 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.165 6.829 2.428 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.756 7.746 1.276 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.352 6.193 1.979 1.00 0.00 H new ATOM 152 N ARG A 12 5.133 7.751 -2.398 1.00 0.00 N ATOM 153 CA ARG A 12 5.109 8.192 -3.787 1.00 0.00 C ATOM 154 C ARG A 12 5.831 7.193 -4.686 1.00 0.00 C ATOM 155 O ARG A 12 5.503 7.051 -5.863 1.00 0.00 O ATOM 156 CB ARG A 12 5.755 9.573 -3.918 1.00 0.00 C ATOM 157 CG ARG A 12 5.051 10.651 -3.109 1.00 0.00 C ATOM 158 CD ARG A 12 5.738 11.998 -3.264 1.00 0.00 C ATOM 159 NE ARG A 12 5.074 13.043 -2.488 1.00 0.00 N ATOM 160 CZ ARG A 12 5.494 14.303 -2.439 1.00 0.00 C ATOM 161 NH1 ARG A 12 6.571 14.672 -3.118 1.00 0.00 N ATOM 162 NH2 ARG A 12 4.836 15.195 -1.710 1.00 0.00 N ATOM 0 H ARG A 12 5.937 8.080 -1.864 1.00 0.00 H new ATOM 0 HA ARG A 12 4.068 8.255 -4.104 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.795 9.511 -3.598 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.762 9.864 -4.968 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.013 10.731 -3.432 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.036 10.367 -2.057 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.777 11.914 -2.945 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.750 12.280 -4.317 1.00 0.00 H new ATOM 0 HE ARG A 12 4.242 12.792 -1.954 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.079 13.988 -3.679 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.892 15.639 -3.079 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.007 14.914 -1.186 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.159 16.162 -1.673 1.00 0.00 H new ATOM 176 N GLU A 13 6.822 6.507 -4.123 1.00 0.00 N ATOM 177 CA GLU A 13 7.605 5.536 -4.879 1.00 0.00 C ATOM 178 C GLU A 13 7.014 4.135 -4.747 1.00 0.00 C ATOM 179 O GLU A 13 7.468 3.196 -5.400 1.00 0.00 O ATOM 180 CB GLU A 13 9.057 5.535 -4.399 1.00 0.00 C ATOM 181 CG GLU A 13 9.751 6.878 -4.559 1.00 0.00 C ATOM 182 CD GLU A 13 9.802 7.341 -6.001 1.00 0.00 C ATOM 183 OE1 GLU A 13 9.845 6.475 -6.901 1.00 0.00 O ATOM 184 OE2 GLU A 13 9.798 8.568 -6.232 1.00 0.00 O ATOM 0 H GLU A 13 7.101 6.606 -3.147 1.00 0.00 H new ATOM 0 HA GLU A 13 7.576 5.825 -5.930 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.084 5.244 -3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.614 4.779 -4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.230 7.625 -3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.766 6.807 -4.168 1.00 0.00 H new ATOM 191 N ARG A 14 6.000 4.002 -3.899 1.00 0.00 N ATOM 192 CA ARG A 14 5.349 2.715 -3.683 1.00 0.00 C ATOM 193 C ARG A 14 4.560 2.291 -4.917 1.00 0.00 C ATOM 194 O ARG A 14 3.619 2.969 -5.329 1.00 0.00 O ATOM 195 CB ARG A 14 4.420 2.786 -2.470 1.00 0.00 C ATOM 196 CG ARG A 14 5.140 3.119 -1.172 1.00 0.00 C ATOM 197 CD ARG A 14 4.171 3.212 -0.005 1.00 0.00 C ATOM 198 NE ARG A 14 4.851 3.554 1.241 1.00 0.00 N ATOM 199 CZ ARG A 14 4.214 3.814 2.379 1.00 0.00 C ATOM 200 NH1 ARG A 14 2.891 3.766 2.428 1.00 0.00 N ATOM 201 NH2 ARG A 14 4.903 4.121 3.471 1.00 0.00 N ATOM 0 H ARG A 14 5.611 4.769 -3.350 1.00 0.00 H new ATOM 0 HA ARG A 14 6.124 1.972 -3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.653 3.538 -2.654 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.909 1.830 -2.358 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.889 2.355 -0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.671 4.065 -1.282 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.412 3.963 -0.222 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.653 2.260 0.113 1.00 0.00 H new ATOM 0 HE ARG A 14 5.870 3.596 1.238 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.358 3.529 1.591 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.405 3.966 3.302 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.922 4.158 3.438 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.414 4.320 4.344 1.00 0.00 H new ATOM 215 N GLN A 15 4.951 1.164 -5.504 1.00 0.00 N ATOM 216 CA GLN A 15 4.280 0.648 -6.692 1.00 0.00 C ATOM 217 C GLN A 15 2.994 -0.080 -6.315 1.00 0.00 C ATOM 218 O GLN A 15 3.009 -1.274 -6.015 1.00 0.00 O ATOM 219 CB GLN A 15 5.208 -0.296 -7.458 1.00 0.00 C ATOM 220 CG GLN A 15 4.579 -0.883 -8.711 1.00 0.00 C ATOM 221 CD GLN A 15 4.162 0.180 -9.708 1.00 0.00 C ATOM 222 OE1 GLN A 15 3.206 0.000 -10.462 1.00 0.00 O ATOM 223 NE2 GLN A 15 4.880 1.297 -9.716 1.00 0.00 N ATOM 0 H GLN A 15 5.729 0.591 -5.176 1.00 0.00 H new ATOM 0 HA GLN A 15 4.025 1.493 -7.332 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.114 0.244 -7.735 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.511 -1.109 -6.798 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.288 -1.562 -9.185 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.708 -1.476 -8.432 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.665 1.404 -9.073 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.647 2.048 -10.365 1.00 0.00 H new ATOM 232 N ASN A 16 1.881 0.648 -6.333 1.00 0.00 N ATOM 233 CA ASN A 16 0.586 0.071 -5.993 1.00 0.00 C ATOM 234 C ASN A 16 0.580 -1.435 -6.238 1.00 0.00 C ATOM 235 O ASN A 16 1.262 -1.931 -7.135 1.00 0.00 O ATOM 236 CB ASN A 16 -0.523 0.736 -6.810 1.00 0.00 C ATOM 237 CG ASN A 16 -1.894 0.170 -6.494 1.00 0.00 C ATOM 238 OD1 ASN A 16 -2.779 0.142 -7.349 1.00 0.00 O ATOM 239 ND2 ASN A 16 -2.076 -0.285 -5.259 1.00 0.00 N ATOM 0 H ASN A 16 1.851 1.637 -6.579 1.00 0.00 H new ATOM 0 HA ASN A 16 0.404 0.250 -4.933 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.522 1.808 -6.614 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.316 0.606 -7.872 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.978 -0.677 -4.988 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.314 -0.242 -4.582 1.00 0.00 H new ATOM 246 N CYS A 17 -0.197 -2.156 -5.437 1.00 0.00 N ATOM 247 CA CYS A 17 -0.300 -3.603 -5.568 1.00 0.00 C ATOM 248 C CYS A 17 -1.723 -4.057 -5.275 1.00 0.00 C ATOM 249 O CYS A 17 -2.023 -5.251 -5.277 1.00 0.00 O ATOM 250 CB CYS A 17 0.679 -4.289 -4.615 1.00 0.00 C ATOM 251 SG CYS A 17 0.685 -6.108 -4.727 1.00 0.00 S ATOM 0 H CYS A 17 -0.766 -1.760 -4.689 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.047 -3.881 -6.591 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.684 -3.921 -4.819 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.435 -4.000 -3.593 1.00 0.00 H new ATOM 256 N GLY A 18 -2.595 -3.087 -5.026 1.00 0.00 N ATOM 257 CA GLY A 18 -3.985 -3.385 -4.743 1.00 0.00 C ATOM 258 C GLY A 18 -4.893 -2.211 -5.046 1.00 0.00 C ATOM 259 O GLY A 18 -4.677 -1.483 -6.015 1.00 0.00 O ATOM 0 H GLY A 18 -2.362 -2.094 -5.015 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.298 -4.246 -5.333 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.090 -3.662 -3.694 1.00 0.00 H new ATOM 263 N PHE A 19 -5.911 -2.025 -4.214 1.00 0.00 N ATOM 264 CA PHE A 19 -6.842 -0.914 -4.383 1.00 0.00 C ATOM 265 C PHE A 19 -6.595 0.172 -3.340 1.00 0.00 C ATOM 266 O PHE A 19 -5.842 -0.029 -2.387 1.00 0.00 O ATOM 267 CB PHE A 19 -8.287 -1.412 -4.303 1.00 0.00 C ATOM 268 CG PHE A 19 -8.603 -2.162 -3.039 1.00 0.00 C ATOM 269 CD1 PHE A 19 -8.234 -3.490 -2.898 1.00 0.00 C ATOM 270 CD2 PHE A 19 -9.273 -1.541 -1.998 1.00 0.00 C ATOM 271 CE1 PHE A 19 -8.527 -4.185 -1.740 1.00 0.00 C ATOM 272 CE2 PHE A 19 -9.569 -2.231 -0.837 1.00 0.00 C ATOM 273 CZ PHE A 19 -9.196 -3.555 -0.708 1.00 0.00 C ATOM 0 H PHE A 19 -6.113 -2.628 -3.416 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.675 -0.480 -5.369 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.960 -0.559 -4.386 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.486 -2.059 -5.157 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.712 -3.987 -3.702 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.567 -0.506 -2.094 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.233 -5.220 -1.642 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.091 -1.736 -0.032 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.427 -4.096 0.198 1.00 0.00 H new ATOM 283 N PRO A 20 -7.223 1.343 -3.521 1.00 0.00 N ATOM 284 CA PRO A 20 -7.054 2.482 -2.611 1.00 0.00 C ATOM 285 C PRO A 20 -7.653 2.220 -1.233 1.00 0.00 C ATOM 286 O PRO A 20 -7.298 2.880 -0.256 1.00 0.00 O ATOM 287 CB PRO A 20 -7.804 3.617 -3.314 1.00 0.00 C ATOM 288 CG PRO A 20 -8.792 2.933 -4.196 1.00 0.00 C ATOM 289 CD PRO A 20 -8.139 1.651 -4.631 1.00 0.00 C ATOM 0 HA PRO A 20 -6.002 2.700 -2.426 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.301 4.268 -2.594 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.124 4.242 -3.893 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.722 2.736 -3.662 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.044 3.554 -5.056 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.871 0.857 -4.780 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.603 1.772 -5.573 1.00 0.00 H new ATOM 297 N GLY A 21 -8.562 1.254 -1.162 1.00 0.00 N ATOM 298 CA GLY A 21 -9.194 0.923 0.102 1.00 0.00 C ATOM 299 C GLY A 21 -8.625 -0.337 0.724 1.00 0.00 C ATOM 300 O GLY A 21 -9.116 -0.807 1.750 1.00 0.00 O ATOM 0 H GLY A 21 -8.872 0.694 -1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.069 1.755 0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.265 0.796 -0.054 1.00 0.00 H new ATOM 304 N VAL A 22 -7.590 -0.886 0.099 1.00 0.00 N ATOM 305 CA VAL A 22 -6.959 -2.106 0.588 1.00 0.00 C ATOM 306 C VAL A 22 -6.855 -2.107 2.108 1.00 0.00 C ATOM 307 O VAL A 22 -6.981 -1.066 2.753 1.00 0.00 O ATOM 308 CB VAL A 22 -5.553 -2.292 -0.011 1.00 0.00 C ATOM 309 CG1 VAL A 22 -5.635 -2.487 -1.517 1.00 0.00 C ATOM 310 CG2 VAL A 22 -4.667 -1.103 0.333 1.00 0.00 C ATOM 0 H VAL A 22 -7.169 -0.505 -0.749 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.594 -2.934 0.272 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.107 -3.187 0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.631 -2.617 -1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.233 -3.372 -1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.100 -1.613 -1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.677 -1.250 -0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.107 -0.192 -0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.582 -1.014 1.416 1.00 0.00 H new ATOM 320 N THR A 23 -6.623 -3.287 2.673 1.00 0.00 N ATOM 321 CA THR A 23 -6.500 -3.437 4.119 1.00 0.00 C ATOM 322 C THR A 23 -5.452 -4.488 4.466 1.00 0.00 C ATOM 323 O THR A 23 -4.897 -5.139 3.580 1.00 0.00 O ATOM 324 CB THR A 23 -7.846 -3.836 4.754 1.00 0.00 C ATOM 325 OG1 THR A 23 -8.294 -5.084 4.210 1.00 0.00 O ATOM 326 CG2 THR A 23 -8.898 -2.764 4.510 1.00 0.00 C ATOM 0 H THR A 23 -6.516 -4.156 2.150 1.00 0.00 H new ATOM 0 HA THR A 23 -6.191 -2.472 4.520 1.00 0.00 H new ATOM 0 HB THR A 23 -7.699 -3.941 5.829 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.684 -5.631 4.924 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.840 -3.068 4.967 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.568 -1.823 4.950 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.041 -2.632 3.438 1.00 0.00 H new ATOM 334 N PRO A 24 -5.168 -4.671 5.764 1.00 0.00 N ATOM 335 CA PRO A 24 -4.189 -5.659 6.228 1.00 0.00 C ATOM 336 C PRO A 24 -4.535 -7.072 5.770 1.00 0.00 C ATOM 337 O PRO A 24 -3.649 -7.872 5.470 1.00 0.00 O ATOM 338 CB PRO A 24 -4.261 -5.559 7.758 1.00 0.00 C ATOM 339 CG PRO A 24 -5.541 -4.850 8.048 1.00 0.00 C ATOM 340 CD PRO A 24 -5.780 -3.938 6.881 1.00 0.00 C ATOM 0 HA PRO A 24 -3.195 -5.461 5.827 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.246 -6.547 8.218 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.408 -5.009 8.157 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.362 -5.558 8.165 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.473 -4.285 8.978 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.843 -3.763 6.716 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.315 -2.963 7.028 1.00 0.00 H new ATOM 348 N SER A 25 -5.829 -7.373 5.719 1.00 0.00 N ATOM 349 CA SER A 25 -6.291 -8.695 5.309 1.00 0.00 C ATOM 350 C SER A 25 -6.499 -8.759 3.799 1.00 0.00 C ATOM 351 O SER A 25 -6.159 -9.752 3.157 1.00 0.00 O ATOM 352 CB SER A 25 -7.593 -9.049 6.029 1.00 0.00 C ATOM 353 OG SER A 25 -7.414 -9.055 7.434 1.00 0.00 O ATOM 0 H SER A 25 -6.576 -6.720 5.956 1.00 0.00 H new ATOM 0 HA SER A 25 -5.523 -9.419 5.581 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.367 -8.330 5.761 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.940 -10.028 5.699 1.00 0.00 H new ATOM 0 HG SER A 25 -8.261 -9.282 7.871 1.00 0.00 H new ATOM 359 N GLN A 26 -7.068 -7.696 3.238 1.00 0.00 N ATOM 360 CA GLN A 26 -7.343 -7.643 1.807 1.00 0.00 C ATOM 361 C GLN A 26 -6.050 -7.558 1.004 1.00 0.00 C ATOM 362 O GLN A 26 -5.979 -8.031 -0.130 1.00 0.00 O ATOM 363 CB GLN A 26 -8.238 -6.445 1.483 1.00 0.00 C ATOM 364 CG GLN A 26 -9.583 -6.481 2.190 1.00 0.00 C ATOM 365 CD GLN A 26 -10.451 -5.286 1.853 1.00 0.00 C ATOM 366 OE1 GLN A 26 -11.226 -5.316 0.897 1.00 0.00 O ATOM 367 NE2 GLN A 26 -10.326 -4.222 2.639 1.00 0.00 N ATOM 0 H GLN A 26 -7.347 -6.861 3.753 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.860 -8.561 1.529 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.717 -5.528 1.758 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.404 -6.407 0.406 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.109 -7.396 1.916 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.422 -6.516 3.267 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.671 -4.240 3.421 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.885 -3.388 2.460 1.00 0.00 H new ATOM 376 N CYS A 27 -5.028 -6.951 1.598 1.00 0.00 N ATOM 377 CA CYS A 27 -3.740 -6.794 0.934 1.00 0.00 C ATOM 378 C CYS A 27 -2.796 -7.936 1.299 1.00 0.00 C ATOM 379 O CYS A 27 -2.019 -8.402 0.467 1.00 0.00 O ATOM 380 CB CYS A 27 -3.109 -5.453 1.313 1.00 0.00 C ATOM 381 SG CYS A 27 -1.505 -5.131 0.511 1.00 0.00 S ATOM 0 H CYS A 27 -5.067 -6.559 2.539 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.908 -6.817 -0.143 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.801 -4.652 1.052 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.975 -5.419 2.394 1.00 0.00 H new ATOM 386 N ALA A 28 -2.873 -8.384 2.548 1.00 0.00 N ATOM 387 CA ALA A 28 -2.029 -9.476 3.021 1.00 0.00 C ATOM 388 C ALA A 28 -2.574 -10.826 2.568 1.00 0.00 C ATOM 389 O ALA A 28 -1.893 -11.848 2.673 1.00 0.00 O ATOM 390 CB ALA A 28 -1.912 -9.433 4.538 1.00 0.00 C ATOM 0 H ALA A 28 -3.510 -8.008 3.250 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.037 -9.350 2.588 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.280 -10.253 4.878 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.470 -8.484 4.842 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.903 -9.531 4.982 1.00 0.00 H new ATOM 396 N ASN A 29 -3.803 -10.825 2.065 1.00 0.00 N ATOM 397 CA ASN A 29 -4.439 -12.052 1.597 1.00 0.00 C ATOM 398 C ASN A 29 -4.179 -12.267 0.110 1.00 0.00 C ATOM 399 O ASN A 29 -4.355 -13.371 -0.407 1.00 0.00 O ATOM 400 CB ASN A 29 -5.945 -12.005 1.861 1.00 0.00 C ATOM 401 CG ASN A 29 -6.654 -13.260 1.394 1.00 0.00 C ATOM 402 OD1 ASN A 29 -6.076 -14.347 1.385 1.00 0.00 O ATOM 403 ND2 ASN A 29 -7.914 -13.116 1.000 1.00 0.00 N ATOM 0 H ASN A 29 -4.379 -9.989 1.971 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.007 -12.887 2.148 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -6.120 -11.868 2.928 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -6.373 -11.140 1.355 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -8.442 -13.925 0.673 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -8.354 -12.196 1.024 1.00 0.00 H new ATOM 410 N LYS A 30 -3.761 -11.207 -0.574 1.00 0.00 N ATOM 411 CA LYS A 30 -3.481 -11.281 -2.002 1.00 0.00 C ATOM 412 C LYS A 30 -1.980 -11.381 -2.259 1.00 0.00 C ATOM 413 O LYS A 30 -1.545 -12.025 -3.214 1.00 0.00 O ATOM 414 CB LYS A 30 -4.052 -10.057 -2.721 1.00 0.00 C ATOM 415 CG LYS A 30 -3.794 -10.054 -4.218 1.00 0.00 C ATOM 416 CD LYS A 30 -4.409 -11.270 -4.892 1.00 0.00 C ATOM 417 CE LYS A 30 -4.149 -11.269 -6.390 1.00 0.00 C ATOM 418 NZ LYS A 30 -4.720 -10.063 -7.053 1.00 0.00 N ATOM 0 H LYS A 30 -3.609 -10.287 -0.162 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.959 -12.179 -2.393 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.127 -10.012 -2.546 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.621 -9.156 -2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.206 -9.146 -4.657 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.720 -10.038 -4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.998 -12.178 -4.451 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.483 -11.284 -4.708 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.075 -11.309 -6.572 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.581 -12.166 -6.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.735 -10.207 -8.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.690 -9.905 -6.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.135 -9.233 -6.828 1.00 0.00 H new ATOM 432 N GLY A 31 -1.195 -10.739 -1.401 1.00 0.00 N ATOM 433 CA GLY A 31 0.249 -10.768 -1.552 1.00 0.00 C ATOM 434 C GLY A 31 0.831 -9.395 -1.821 1.00 0.00 C ATOM 435 O GLY A 31 1.697 -9.238 -2.683 1.00 0.00 O ATOM 0 H GLY A 31 -1.532 -10.199 -0.604 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.698 -11.179 -0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.512 -11.438 -2.371 1.00 0.00 H new ATOM 439 N CYS A 32 0.356 -8.397 -1.084 1.00 0.00 N ATOM 440 CA CYS A 32 0.835 -7.030 -1.248 1.00 0.00 C ATOM 441 C CYS A 32 1.290 -6.448 0.087 1.00 0.00 C ATOM 442 O CYS A 32 0.921 -6.944 1.150 1.00 0.00 O ATOM 443 CB CYS A 32 -0.264 -6.151 -1.847 1.00 0.00 C ATOM 444 SG CYS A 32 -0.828 -6.675 -3.498 1.00 0.00 S ATOM 0 H CYS A 32 -0.361 -8.509 -0.367 1.00 0.00 H new ATOM 0 HA CYS A 32 1.688 -7.051 -1.926 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.118 -6.145 -1.169 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.101 -5.126 -1.909 1.00 0.00 H new ATOM 449 N CYS A 33 2.077 -5.379 0.021 1.00 0.00 N ATOM 450 CA CYS A 33 2.539 -4.694 1.223 1.00 0.00 C ATOM 451 C CYS A 33 1.510 -3.667 1.686 1.00 0.00 C ATOM 452 O CYS A 33 0.977 -2.903 0.881 1.00 0.00 O ATOM 453 CB CYS A 33 3.878 -4.003 0.963 1.00 0.00 C ATOM 454 SG CYS A 33 5.226 -5.134 0.491 1.00 0.00 S ATOM 0 H CYS A 33 2.408 -4.968 -0.852 1.00 0.00 H new ATOM 0 HA CYS A 33 2.670 -5.439 2.008 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.745 -3.265 0.172 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.173 -3.459 1.860 1.00 0.00 H new ATOM 459 N PHE A 34 1.237 -3.651 2.986 1.00 0.00 N ATOM 460 CA PHE A 34 0.275 -2.710 3.551 1.00 0.00 C ATOM 461 C PHE A 34 0.968 -1.711 4.471 1.00 0.00 C ATOM 462 O PHE A 34 1.619 -2.095 5.443 1.00 0.00 O ATOM 463 CB PHE A 34 -0.814 -3.459 4.320 1.00 0.00 C ATOM 464 CG PHE A 34 -1.870 -2.558 4.892 1.00 0.00 C ATOM 465 CD1 PHE A 34 -1.686 -1.948 6.123 1.00 0.00 C ATOM 466 CD2 PHE A 34 -3.045 -2.320 4.199 1.00 0.00 C ATOM 467 CE1 PHE A 34 -2.656 -1.116 6.651 1.00 0.00 C ATOM 468 CE2 PHE A 34 -4.019 -1.490 4.723 1.00 0.00 C ATOM 469 CZ PHE A 34 -3.824 -0.888 5.950 1.00 0.00 C ATOM 0 H PHE A 34 1.667 -4.277 3.667 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.184 -2.162 2.728 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.286 -4.182 3.655 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.353 -4.025 5.130 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.775 -2.124 6.676 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.202 -2.788 3.238 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.501 -0.645 7.610 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.931 -1.313 4.173 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.584 -0.240 6.361 1.00 0.00 H new ATOM 479 N ASP A 35 0.825 -0.428 4.157 1.00 0.00 N ATOM 480 CA ASP A 35 1.437 0.627 4.955 1.00 0.00 C ATOM 481 C ASP A 35 0.554 1.870 4.983 1.00 0.00 C ATOM 482 O ASP A 35 0.563 2.671 4.049 1.00 0.00 O ATOM 483 CB ASP A 35 2.817 0.980 4.400 1.00 0.00 C ATOM 484 CG ASP A 35 3.500 2.071 5.200 1.00 0.00 C ATOM 485 OD1 ASP A 35 3.309 3.260 4.867 1.00 0.00 O ATOM 486 OD2 ASP A 35 4.225 1.738 6.161 1.00 0.00 O ATOM 0 H ASP A 35 0.290 -0.094 3.355 1.00 0.00 H new ATOM 0 HA ASP A 35 1.547 0.259 5.975 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.444 0.088 4.398 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.717 1.302 3.363 1.00 0.00 H new ATOM 491 N ASP A 36 -0.205 2.026 6.062 1.00 0.00 N ATOM 492 CA ASP A 36 -1.091 3.174 6.215 1.00 0.00 C ATOM 493 C ASP A 36 -0.385 4.313 6.944 1.00 0.00 C ATOM 494 O ASP A 36 -0.872 4.808 7.960 1.00 0.00 O ATOM 495 CB ASP A 36 -2.355 2.772 6.976 1.00 0.00 C ATOM 496 CG ASP A 36 -2.051 2.245 8.365 1.00 0.00 C ATOM 497 OD1 ASP A 36 -2.012 3.058 9.312 1.00 0.00 O ATOM 498 OD2 ASP A 36 -1.852 1.021 8.504 1.00 0.00 O ATOM 0 H ASP A 36 -0.224 1.371 6.844 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.370 3.521 5.220 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.018 3.634 7.054 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.889 2.009 6.410 1.00 0.00 H new ATOM 503 N THR A 37 0.766 4.720 6.421 1.00 0.00 N ATOM 504 CA THR A 37 1.543 5.795 7.026 1.00 0.00 C ATOM 505 C THR A 37 1.227 7.137 6.374 1.00 0.00 C ATOM 506 O THR A 37 1.277 8.181 7.024 1.00 0.00 O ATOM 507 CB THR A 37 3.056 5.528 6.913 1.00 0.00 C ATOM 508 OG1 THR A 37 3.434 5.423 5.534 1.00 0.00 O ATOM 509 CG2 THR A 37 3.436 4.250 7.646 1.00 0.00 C ATOM 0 H THR A 37 1.182 4.322 5.579 1.00 0.00 H new ATOM 0 HA THR A 37 1.265 5.830 8.079 1.00 0.00 H new ATOM 0 HB THR A 37 3.585 6.363 7.372 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.970 4.663 5.125 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.509 4.082 7.552 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.174 4.343 8.700 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.898 3.408 7.212 1.00 0.00 H new ATOM 517 N VAL A 38 0.905 7.101 5.085 1.00 0.00 N ATOM 518 CA VAL A 38 0.588 8.315 4.343 1.00 0.00 C ATOM 519 C VAL A 38 -0.667 8.133 3.497 1.00 0.00 C ATOM 520 O VAL A 38 -0.725 7.257 2.634 1.00 0.00 O ATOM 521 CB VAL A 38 1.753 8.733 3.427 1.00 0.00 C ATOM 522 CG1 VAL A 38 1.404 10.000 2.660 1.00 0.00 C ATOM 523 CG2 VAL A 38 3.026 8.926 4.237 1.00 0.00 C ATOM 0 H VAL A 38 0.857 6.245 4.533 1.00 0.00 H new ATOM 0 HA VAL A 38 0.414 9.099 5.081 1.00 0.00 H new ATOM 0 HB VAL A 38 1.926 7.935 2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.240 10.279 2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.520 9.823 2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.202 10.807 3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.838 9.221 3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.867 9.704 4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.286 7.992 4.735 1.00 0.00 H new ATOM 533 N ARG A 39 -1.670 8.967 3.751 1.00 0.00 N ATOM 534 CA ARG A 39 -2.922 8.903 3.007 1.00 0.00 C ATOM 535 C ARG A 39 -2.744 9.450 1.595 1.00 0.00 C ATOM 536 O ARG A 39 -1.634 9.792 1.187 1.00 0.00 O ATOM 537 CB ARG A 39 -4.014 9.687 3.738 1.00 0.00 C ATOM 538 CG ARG A 39 -3.676 11.154 3.945 1.00 0.00 C ATOM 539 CD ARG A 39 -4.781 11.881 4.693 1.00 0.00 C ATOM 540 NE ARG A 39 -4.465 13.292 4.901 1.00 0.00 N ATOM 541 CZ ARG A 39 -5.120 14.075 5.751 1.00 0.00 C ATOM 542 NH1 ARG A 39 -6.121 13.585 6.471 1.00 0.00 N ATOM 543 NH2 ARG A 39 -4.774 15.348 5.884 1.00 0.00 N ATOM 0 H ARG A 39 -1.640 9.694 4.466 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.221 7.857 2.936 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.943 9.613 3.172 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.194 9.224 4.708 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.742 11.238 4.501 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.515 11.631 2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.713 11.797 4.134 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.943 11.400 5.658 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.699 13.698 4.364 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.389 12.606 6.372 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.623 14.188 7.123 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.004 15.727 5.333 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.278 15.948 6.537 1.00 0.00 H new ATOM 557 N GLY A 40 -3.842 9.526 0.851 1.00 0.00 N ATOM 558 CA GLY A 40 -3.781 10.019 -0.512 1.00 0.00 C ATOM 559 C GLY A 40 -3.008 9.091 -1.429 1.00 0.00 C ATOM 560 O GLY A 40 -3.276 9.028 -2.629 1.00 0.00 O ATOM 0 H GLY A 40 -4.773 9.255 1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.794 10.144 -0.896 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.314 11.004 -0.519 1.00 0.00 H new ATOM 564 N VAL A 41 -2.050 8.365 -0.861 1.00 0.00 N ATOM 565 CA VAL A 41 -1.246 7.425 -1.631 1.00 0.00 C ATOM 566 C VAL A 41 -1.726 5.993 -1.425 1.00 0.00 C ATOM 567 O VAL A 41 -2.501 5.713 -0.510 1.00 0.00 O ATOM 568 CB VAL A 41 0.243 7.511 -1.247 1.00 0.00 C ATOM 569 CG1 VAL A 41 0.788 8.903 -1.522 1.00 0.00 C ATOM 570 CG2 VAL A 41 0.438 7.131 0.213 1.00 0.00 C ATOM 0 H VAL A 41 -1.812 8.410 0.130 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.361 7.699 -2.680 1.00 0.00 H new ATOM 0 HB VAL A 41 0.800 6.803 -1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.841 8.943 -1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.684 9.132 -2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.230 9.634 -0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.496 7.197 0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.131 7.812 0.845 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.089 6.111 0.373 1.00 0.00 H new ATOM 580 N PRO A 42 -1.261 5.065 -2.274 1.00 0.00 N ATOM 581 CA PRO A 42 -1.625 3.649 -2.180 1.00 0.00 C ATOM 582 C PRO A 42 -0.960 2.960 -0.993 1.00 0.00 C ATOM 583 O PRO A 42 0.267 2.912 -0.898 1.00 0.00 O ATOM 584 CB PRO A 42 -1.109 3.066 -3.495 1.00 0.00 C ATOM 585 CG PRO A 42 0.026 3.952 -3.881 1.00 0.00 C ATOM 586 CD PRO A 42 -0.337 5.329 -3.392 1.00 0.00 C ATOM 0 HA PRO A 42 -2.695 3.510 -2.027 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -0.781 2.034 -3.369 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.886 3.063 -4.259 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.958 3.611 -3.430 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.174 3.948 -4.961 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.542 5.883 -3.064 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.812 5.920 -4.175 1.00 0.00 H new ATOM 594 N TRP A 43 -1.776 2.429 -0.089 1.00 0.00 N ATOM 595 CA TRP A 43 -1.265 1.751 1.097 1.00 0.00 C ATOM 596 C TRP A 43 -0.787 0.343 0.757 1.00 0.00 C ATOM 597 O TRP A 43 0.176 -0.153 1.341 1.00 0.00 O ATOM 598 CB TRP A 43 -2.342 1.690 2.181 1.00 0.00 C ATOM 599 CG TRP A 43 -2.820 3.040 2.621 1.00 0.00 C ATOM 600 CD1 TRP A 43 -2.193 4.237 2.422 1.00 0.00 C ATOM 601 CD2 TRP A 43 -4.025 3.333 3.340 1.00 0.00 C ATOM 602 NE1 TRP A 43 -2.935 5.255 2.969 1.00 0.00 N ATOM 603 CE2 TRP A 43 -4.063 4.726 3.539 1.00 0.00 C ATOM 604 CE3 TRP A 43 -5.074 2.553 3.832 1.00 0.00 C ATOM 605 CZ2 TRP A 43 -5.110 5.354 4.209 1.00 0.00 C ATOM 606 CZ3 TRP A 43 -6.113 3.177 4.498 1.00 0.00 C ATOM 607 CH2 TRP A 43 -6.125 4.566 4.680 1.00 0.00 C ATOM 0 H TRP A 43 -2.794 2.455 -0.155 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.416 2.322 1.472 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.190 1.116 1.808 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.948 1.153 3.044 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.251 4.364 1.909 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -2.687 6.244 2.953 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -5.074 1.482 3.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.121 6.424 4.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -6.929 2.584 4.884 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.952 5.024 5.202 1.00 0.00 H new ATOM 618 N CYS A 44 -1.465 -0.296 -0.191 1.00 0.00 N ATOM 619 CA CYS A 44 -1.101 -1.643 -0.615 1.00 0.00 C ATOM 620 C CYS A 44 -0.334 -1.607 -1.933 1.00 0.00 C ATOM 621 O CYS A 44 -0.899 -1.295 -2.981 1.00 0.00 O ATOM 622 CB CYS A 44 -2.352 -2.510 -0.760 1.00 0.00 C ATOM 623 SG CYS A 44 -2.013 -4.235 -1.238 1.00 0.00 S ATOM 0 H CYS A 44 -2.269 0.097 -0.680 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.456 -2.077 0.148 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.894 -2.507 0.185 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.008 -2.060 -1.505 1.00 0.00 H new ATOM 628 N PHE A 45 0.955 -1.922 -1.871 1.00 0.00 N ATOM 629 CA PHE A 45 1.805 -1.908 -3.057 1.00 0.00 C ATOM 630 C PHE A 45 2.664 -3.165 -3.127 1.00 0.00 C ATOM 631 O PHE A 45 2.647 -3.991 -2.214 1.00 0.00 O ATOM 632 CB PHE A 45 2.696 -0.665 -3.053 1.00 0.00 C ATOM 633 CG PHE A 45 3.584 -0.568 -1.846 1.00 0.00 C ATOM 634 CD1 PHE A 45 3.143 0.064 -0.694 1.00 0.00 C ATOM 635 CD2 PHE A 45 4.860 -1.111 -1.861 1.00 0.00 C ATOM 636 CE1 PHE A 45 3.957 0.153 0.419 1.00 0.00 C ATOM 637 CE2 PHE A 45 5.678 -1.024 -0.751 1.00 0.00 C ATOM 638 CZ PHE A 45 5.226 -0.392 0.390 1.00 0.00 C ATOM 0 H PHE A 45 1.435 -2.190 -1.012 1.00 0.00 H new ATOM 0 HA PHE A 45 1.161 -1.883 -3.936 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.315 -0.669 -3.950 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.067 0.224 -3.104 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.152 0.492 -0.666 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.218 -1.608 -2.751 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.602 0.648 1.311 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.670 -1.450 -0.776 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.864 -0.324 1.259 1.00 0.00 H new ATOM 648 N TYR A 46 3.418 -3.303 -4.212 1.00 0.00 N ATOM 649 CA TYR A 46 4.288 -4.458 -4.396 1.00 0.00 C ATOM 650 C TYR A 46 5.540 -4.339 -3.530 1.00 0.00 C ATOM 651 O TYR A 46 5.961 -3.236 -3.181 1.00 0.00 O ATOM 652 CB TYR A 46 4.685 -4.600 -5.867 1.00 0.00 C ATOM 653 CG TYR A 46 3.508 -4.794 -6.797 1.00 0.00 C ATOM 654 CD1 TYR A 46 2.888 -6.031 -6.915 1.00 0.00 C ATOM 655 CD2 TYR A 46 3.017 -3.738 -7.557 1.00 0.00 C ATOM 656 CE1 TYR A 46 1.812 -6.212 -7.765 1.00 0.00 C ATOM 657 CE2 TYR A 46 1.943 -3.912 -8.409 1.00 0.00 C ATOM 658 CZ TYR A 46 1.345 -5.150 -8.509 1.00 0.00 C ATOM 659 OH TYR A 46 0.275 -5.326 -9.356 1.00 0.00 O ATOM 0 H TYR A 46 3.444 -2.629 -4.977 1.00 0.00 H new ATOM 0 HA TYR A 46 3.736 -5.347 -4.090 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.236 -3.711 -6.173 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.363 -5.447 -5.971 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.252 -6.865 -6.334 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.482 -2.766 -7.480 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.340 -7.180 -7.845 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.574 -3.082 -8.994 1.00 0.00 H new ATOM 0 HH TYR A 46 0.071 -4.479 -9.805 1.00 0.00 H new ATOM 669 N PRO A 47 6.145 -5.481 -3.174 1.00 0.00 N ATOM 670 CA PRO A 47 7.350 -5.512 -2.340 1.00 0.00 C ATOM 671 C PRO A 47 8.585 -5.013 -3.083 1.00 0.00 C ATOM 672 O PRO A 47 8.477 -4.264 -4.054 1.00 0.00 O ATOM 673 CB PRO A 47 7.501 -6.993 -1.992 1.00 0.00 C ATOM 674 CG PRO A 47 6.835 -7.714 -3.112 1.00 0.00 C ATOM 675 CD PRO A 47 5.700 -6.832 -3.556 1.00 0.00 C ATOM 0 HA PRO A 47 7.259 -4.861 -1.471 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.551 -7.275 -1.908 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.031 -7.225 -1.036 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.533 -7.894 -3.930 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.468 -8.687 -2.786 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.528 -6.909 -4.630 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.766 -7.101 -3.063 1.00 0.00 H new ATOM 683 N ASN A 48 9.756 -5.433 -2.618 1.00 0.00 N ATOM 684 CA ASN A 48 11.014 -5.029 -3.234 1.00 0.00 C ATOM 685 C ASN A 48 11.982 -6.204 -3.313 1.00 0.00 C ATOM 686 O ASN A 48 12.775 -6.430 -2.400 1.00 0.00 O ATOM 687 CB ASN A 48 11.647 -3.885 -2.443 1.00 0.00 C ATOM 688 CG ASN A 48 10.745 -2.669 -2.362 1.00 0.00 C ATOM 689 OD1 ASN A 48 9.954 -2.407 -3.269 1.00 0.00 O ATOM 690 ND2 ASN A 48 10.857 -1.920 -1.271 1.00 0.00 N ATOM 0 H ASN A 48 9.860 -6.054 -1.815 1.00 0.00 H new ATOM 0 HA ASN A 48 10.802 -4.688 -4.247 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.880 -4.229 -1.435 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.591 -3.603 -2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.274 -1.090 -1.160 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.526 -2.174 -0.544 1.00 0.00 H new ATOM 965 N CYS B 7 31.234 -47.880 -20.874 1.00 0.00 N ATOM 966 CA CYS B 7 30.495 -48.834 -21.691 1.00 0.00 C ATOM 967 C CYS B 7 30.252 -50.132 -20.930 1.00 0.00 C ATOM 968 O CYS B 7 30.351 -51.223 -21.495 1.00 0.00 O ATOM 969 CB CYS B 7 31.255 -49.124 -22.986 1.00 0.00 C ATOM 970 SG CYS B 7 31.551 -47.655 -24.022 1.00 0.00 S ATOM 0 HA CYS B 7 29.529 -48.392 -21.935 1.00 0.00 H new ATOM 0 HB2 CYS B 7 32.214 -49.579 -22.737 1.00 0.00 H new ATOM 0 HB3 CYS B 7 30.695 -49.857 -23.566 1.00 0.00 H new ATOM 975 N THR B 8 29.930 -50.011 -19.647 1.00 0.00 N ATOM 976 CA THR B 8 29.669 -51.177 -18.810 1.00 0.00 C ATOM 977 C THR B 8 28.237 -51.169 -18.289 1.00 0.00 C ATOM 978 O THR B 8 27.999 -51.349 -17.096 1.00 0.00 O ATOM 979 CB THR B 8 30.637 -51.238 -17.614 1.00 0.00 C ATOM 980 OG1 THR B 8 30.366 -52.402 -16.823 1.00 0.00 O ATOM 981 CG2 THR B 8 30.509 -49.992 -16.750 1.00 0.00 C ATOM 0 H THR B 8 29.843 -49.117 -19.163 1.00 0.00 H new ATOM 0 HA THR B 8 29.821 -52.056 -19.436 1.00 0.00 H new ATOM 0 HB THR B 8 31.655 -51.290 -18.001 1.00 0.00 H new ATOM 0 HG1 THR B 8 29.422 -52.407 -16.562 1.00 0.00 H new ATOM 0 HG21 THR B 8 31.202 -50.058 -15.912 1.00 0.00 H new ATOM 0 HG22 THR B 8 30.743 -49.110 -17.346 1.00 0.00 H new ATOM 0 HG23 THR B 8 29.489 -49.914 -16.372 1.00 0.00 H new ATOM 989 N VAL B 9 27.285 -50.959 -19.193 1.00 0.00 N ATOM 990 CA VAL B 9 25.875 -50.925 -18.825 1.00 0.00 C ATOM 991 C VAL B 9 25.170 -52.213 -19.233 1.00 0.00 C ATOM 992 O VAL B 9 25.720 -53.026 -19.975 1.00 0.00 O ATOM 993 CB VAL B 9 25.153 -49.730 -19.476 1.00 0.00 C ATOM 994 CG1 VAL B 9 23.685 -49.710 -19.078 1.00 0.00 C ATOM 995 CG2 VAL B 9 25.835 -48.424 -19.097 1.00 0.00 C ATOM 0 H VAL B 9 27.465 -50.810 -20.186 1.00 0.00 H new ATOM 0 HA VAL B 9 25.834 -50.818 -17.741 1.00 0.00 H new ATOM 0 HB VAL B 9 25.209 -49.841 -20.559 1.00 0.00 H new ATOM 0 HG11 VAL B 9 23.192 -48.859 -19.548 1.00 0.00 H new ATOM 0 HG12 VAL B 9 23.206 -50.633 -19.406 1.00 0.00 H new ATOM 0 HG13 VAL B 9 23.603 -49.624 -17.994 1.00 0.00 H new ATOM 0 HG21 VAL B 9 25.312 -47.591 -19.566 1.00 0.00 H new ATOM 0 HG22 VAL B 9 25.813 -48.303 -18.014 1.00 0.00 H new ATOM 0 HG23 VAL B 9 26.870 -48.441 -19.439 1.00 0.00 H new ATOM 1005 N ALA B 10 23.947 -52.392 -18.743 1.00 0.00 N ATOM 1006 CA ALA B 10 23.163 -53.580 -19.060 1.00 0.00 C ATOM 1007 C ALA B 10 22.624 -53.516 -20.485 1.00 0.00 C ATOM 1008 O ALA B 10 21.898 -52.589 -20.844 1.00 0.00 O ATOM 1009 CB ALA B 10 22.019 -53.735 -18.069 1.00 0.00 C ATOM 0 H ALA B 10 23.478 -51.730 -18.125 1.00 0.00 H new ATOM 0 HA ALA B 10 23.817 -54.449 -18.984 1.00 0.00 H new ATOM 0 HB1 ALA B 10 21.441 -54.626 -18.317 1.00 0.00 H new ATOM 0 HB2 ALA B 10 22.422 -53.832 -17.061 1.00 0.00 H new ATOM 0 HB3 ALA B 10 21.373 -52.858 -18.119 1.00 0.00 H new ATOM 1015 N PRO B 11 22.982 -54.506 -21.317 1.00 0.00 N ATOM 1016 CA PRO B 11 22.548 -54.564 -22.714 1.00 0.00 C ATOM 1017 C PRO B 11 21.058 -54.286 -22.875 1.00 0.00 C ATOM 1018 O PRO B 11 20.608 -53.850 -23.934 1.00 0.00 O ATOM 1019 CB PRO B 11 22.872 -56.002 -23.118 1.00 0.00 C ATOM 1020 CG PRO B 11 24.029 -56.380 -22.259 1.00 0.00 C ATOM 1021 CD PRO B 11 23.843 -55.647 -20.956 1.00 0.00 C ATOM 0 HA PRO B 11 23.040 -53.809 -23.327 1.00 0.00 H new ATOM 0 HB2 PRO B 11 22.021 -56.662 -22.951 1.00 0.00 H new ATOM 0 HB3 PRO B 11 23.125 -56.070 -24.176 1.00 0.00 H new ATOM 0 HG2 PRO B 11 24.059 -57.458 -22.098 1.00 0.00 H new ATOM 0 HG3 PRO B 11 24.971 -56.102 -22.731 1.00 0.00 H new ATOM 0 HD2 PRO B 11 23.374 -56.281 -20.204 1.00 0.00 H new ATOM 0 HD3 PRO B 11 24.796 -55.315 -20.544 1.00 0.00 H new ATOM 1029 N ARG B 12 20.295 -54.538 -21.816 1.00 0.00 N ATOM 1030 CA ARG B 12 18.856 -54.308 -21.838 1.00 0.00 C ATOM 1031 C ARG B 12 18.528 -52.874 -21.436 1.00 0.00 C ATOM 1032 O ARG B 12 17.528 -52.307 -21.879 1.00 0.00 O ATOM 1033 CB ARG B 12 18.146 -55.288 -20.903 1.00 0.00 C ATOM 1034 CG ARG B 12 18.592 -55.180 -19.455 1.00 0.00 C ATOM 1035 CD ARG B 12 17.863 -56.178 -18.570 1.00 0.00 C ATOM 1036 NE ARG B 12 18.095 -57.556 -18.993 1.00 0.00 N ATOM 1037 CZ ARG B 12 17.662 -58.616 -18.319 1.00 0.00 C ATOM 1038 NH1 ARG B 12 16.977 -58.455 -17.195 1.00 0.00 N ATOM 1039 NH2 ARG B 12 17.912 -59.839 -18.767 1.00 0.00 N ATOM 0 H ARG B 12 20.650 -54.902 -20.932 1.00 0.00 H new ATOM 0 HA ARG B 12 18.504 -54.470 -22.857 1.00 0.00 H new ATOM 0 HB2 ARG B 12 17.071 -55.115 -20.957 1.00 0.00 H new ATOM 0 HB3 ARG B 12 18.323 -56.305 -21.254 1.00 0.00 H new ATOM 0 HG2 ARG B 12 19.666 -55.352 -19.391 1.00 0.00 H new ATOM 0 HG3 ARG B 12 18.409 -54.169 -19.092 1.00 0.00 H new ATOM 0 HD2 ARG B 12 18.192 -56.055 -17.538 1.00 0.00 H new ATOM 0 HD3 ARG B 12 16.794 -55.968 -18.591 1.00 0.00 H new ATOM 0 HE ARG B 12 18.619 -57.714 -19.854 1.00 0.00 H new ATOM 0 HH11 ARG B 12 16.782 -57.516 -16.847 1.00 0.00 H new ATOM 0 HH12 ARG B 12 16.645 -59.270 -16.679 1.00 0.00 H new ATOM 0 HH21 ARG B 12 18.438 -59.968 -19.631 1.00 0.00 H new ATOM 0 HH22 ARG B 12 17.578 -60.651 -18.247 1.00 0.00 H new ATOM 1053 N GLU B 13 19.374 -52.294 -20.590 1.00 0.00 N ATOM 1054 CA GLU B 13 19.167 -50.930 -20.118 1.00 0.00 C ATOM 1055 C GLU B 13 20.183 -49.976 -20.739 1.00 0.00 C ATOM 1056 O GLU B 13 20.622 -49.019 -20.102 1.00 0.00 O ATOM 1057 CB GLU B 13 19.267 -50.876 -18.593 1.00 0.00 C ATOM 1058 CG GLU B 13 18.246 -51.751 -17.885 1.00 0.00 C ATOM 1059 CD GLU B 13 16.818 -51.361 -18.213 1.00 0.00 C ATOM 1060 OE1 GLU B 13 16.582 -50.858 -19.331 1.00 0.00 O ATOM 1061 OE2 GLU B 13 15.936 -51.558 -17.351 1.00 0.00 O ATOM 0 H GLU B 13 20.209 -52.747 -20.218 1.00 0.00 H new ATOM 0 HA GLU B 13 18.169 -50.616 -20.423 1.00 0.00 H new ATOM 0 HB2 GLU B 13 20.268 -51.184 -18.292 1.00 0.00 H new ATOM 0 HB3 GLU B 13 19.139 -49.844 -18.265 1.00 0.00 H new ATOM 0 HG2 GLU B 13 18.408 -52.792 -18.165 1.00 0.00 H new ATOM 0 HG3 GLU B 13 18.399 -51.683 -16.808 1.00 0.00 H new ATOM 1068 N ARG B 14 20.551 -50.243 -21.989 1.00 0.00 N ATOM 1069 CA ARG B 14 21.509 -49.401 -22.699 1.00 0.00 C ATOM 1070 C ARG B 14 20.790 -48.365 -23.558 1.00 0.00 C ATOM 1071 O ARG B 14 19.688 -48.609 -24.050 1.00 0.00 O ATOM 1072 CB ARG B 14 22.426 -50.258 -23.573 1.00 0.00 C ATOM 1073 CG ARG B 14 23.241 -51.272 -22.788 1.00 0.00 C ATOM 1074 CD ARG B 14 24.148 -52.082 -23.699 1.00 0.00 C ATOM 1075 NE ARG B 14 24.943 -53.056 -22.956 1.00 0.00 N ATOM 1076 CZ ARG B 14 25.801 -53.895 -23.526 1.00 0.00 C ATOM 1077 NH1 ARG B 14 25.972 -53.879 -24.841 1.00 0.00 N ATOM 1078 NH2 ARG B 14 26.489 -54.749 -22.783 1.00 0.00 N ATOM 0 H ARG B 14 20.201 -51.034 -22.530 1.00 0.00 H new ATOM 0 HA ARG B 14 22.113 -48.877 -21.958 1.00 0.00 H new ATOM 0 HB2 ARG B 14 21.822 -50.784 -24.312 1.00 0.00 H new ATOM 0 HB3 ARG B 14 23.105 -49.605 -24.122 1.00 0.00 H new ATOM 0 HG2 ARG B 14 23.842 -50.756 -22.039 1.00 0.00 H new ATOM 0 HG3 ARG B 14 22.570 -51.943 -22.251 1.00 0.00 H new ATOM 0 HD2 ARG B 14 23.544 -52.600 -24.444 1.00 0.00 H new ATOM 0 HD3 ARG B 14 24.813 -51.409 -24.240 1.00 0.00 H new ATOM 0 HE ARG B 14 24.833 -53.094 -21.943 1.00 0.00 H new ATOM 0 HH11 ARG B 14 25.445 -53.222 -25.416 1.00 0.00 H new ATOM 0 HH12 ARG B 14 26.631 -54.524 -25.277 1.00 0.00 H new ATOM 0 HH21 ARG B 14 26.361 -54.763 -21.771 1.00 0.00 H new ATOM 0 HH22 ARG B 14 27.147 -55.392 -23.223 1.00 0.00 H new ATOM 1092 N GLN B 15 21.422 -47.210 -23.735 1.00 0.00 N ATOM 1093 CA GLN B 15 20.843 -46.137 -24.536 1.00 0.00 C ATOM 1094 C GLN B 15 21.099 -46.369 -26.022 1.00 0.00 C ATOM 1095 O GLN B 15 22.155 -46.009 -26.544 1.00 0.00 O ATOM 1096 CB GLN B 15 21.423 -44.787 -24.111 1.00 0.00 C ATOM 1097 CG GLN B 15 21.161 -44.445 -22.652 1.00 0.00 C ATOM 1098 CD GLN B 15 21.761 -45.459 -21.699 1.00 0.00 C ATOM 1099 OE1 GLN B 15 22.783 -46.078 -21.997 1.00 0.00 O ATOM 1100 NE2 GLN B 15 21.128 -45.634 -20.545 1.00 0.00 N ATOM 0 H GLN B 15 22.335 -46.993 -23.335 1.00 0.00 H new ATOM 0 HA GLN B 15 19.766 -46.131 -24.368 1.00 0.00 H new ATOM 0 HB2 GLN B 15 22.499 -44.791 -24.287 1.00 0.00 H new ATOM 0 HB3 GLN B 15 21.000 -44.004 -24.741 1.00 0.00 H new ATOM 0 HG2 GLN B 15 21.572 -43.459 -22.434 1.00 0.00 H new ATOM 0 HG3 GLN B 15 20.086 -44.386 -22.484 1.00 0.00 H new ATOM 0 HE21 GLN B 15 20.284 -45.099 -20.340 1.00 0.00 H new ATOM 0 HE22 GLN B 15 21.486 -46.303 -19.863 1.00 0.00 H new ATOM 1109 N ASN B 16 20.127 -46.975 -26.697 1.00 0.00 N ATOM 1110 CA ASN B 16 20.249 -47.259 -28.122 1.00 0.00 C ATOM 1111 C ASN B 16 20.872 -46.079 -28.862 1.00 0.00 C ATOM 1112 O ASN B 16 20.459 -44.933 -28.683 1.00 0.00 O ATOM 1113 CB ASN B 16 18.878 -47.584 -28.717 1.00 0.00 C ATOM 1114 CG ASN B 16 18.949 -47.890 -30.200 1.00 0.00 C ATOM 1115 OD1 ASN B 16 18.830 -46.994 -31.037 1.00 0.00 O ATOM 1116 ND2 ASN B 16 19.147 -49.160 -30.533 1.00 0.00 N ATOM 0 H ASN B 16 19.247 -47.278 -26.280 1.00 0.00 H new ATOM 0 HA ASN B 16 20.903 -48.123 -28.240 1.00 0.00 H new ATOM 0 HB2 ASN B 16 18.451 -48.439 -28.193 1.00 0.00 H new ATOM 0 HB3 ASN B 16 18.206 -46.742 -28.554 1.00 0.00 H new ATOM 0 HD21 ASN B 16 19.206 -49.426 -31.516 1.00 0.00 H new ATOM 0 HD22 ASN B 16 19.240 -49.869 -29.806 1.00 0.00 H new ATOM 1123 N CYS B 17 21.866 -46.368 -29.696 1.00 0.00 N ATOM 1124 CA CYS B 17 22.546 -45.333 -30.464 1.00 0.00 C ATOM 1125 C CYS B 17 22.968 -45.862 -31.830 1.00 0.00 C ATOM 1126 O CYS B 17 23.623 -45.163 -32.604 1.00 0.00 O ATOM 1127 CB CYS B 17 23.770 -44.824 -29.702 1.00 0.00 C ATOM 1128 SG CYS B 17 24.758 -43.597 -30.617 1.00 0.00 S ATOM 0 H CYS B 17 22.218 -47.312 -29.857 1.00 0.00 H new ATOM 0 HA CYS B 17 21.850 -44.507 -30.611 1.00 0.00 H new ATOM 0 HB2 CYS B 17 23.441 -44.382 -28.762 1.00 0.00 H new ATOM 0 HB3 CYS B 17 24.406 -45.672 -29.450 1.00 0.00 H new ATOM 1133 N GLY B 18 22.588 -47.101 -32.119 1.00 0.00 N ATOM 1134 CA GLY B 18 22.934 -47.706 -33.391 1.00 0.00 C ATOM 1135 C GLY B 18 22.655 -49.194 -33.420 1.00 0.00 C ATOM 1136 O GLY B 18 23.167 -49.947 -32.592 1.00 0.00 O ATOM 0 H GLY B 18 22.046 -47.698 -31.494 1.00 0.00 H new ATOM 0 HA2 GLY B 18 22.371 -47.218 -34.187 1.00 0.00 H new ATOM 0 HA3 GLY B 18 23.991 -47.534 -33.596 1.00 0.00 H new ATOM 1140 N PHE B 19 21.841 -49.618 -34.379 1.00 0.00 N ATOM 1141 CA PHE B 19 21.495 -51.027 -34.524 1.00 0.00 C ATOM 1142 C PHE B 19 22.733 -51.908 -34.397 1.00 0.00 C ATOM 1143 O PHE B 19 23.862 -51.420 -34.443 1.00 0.00 O ATOM 1144 CB PHE B 19 20.817 -51.271 -35.874 1.00 0.00 C ATOM 1145 CG PHE B 19 21.673 -50.895 -37.051 1.00 0.00 C ATOM 1146 CD1 PHE B 19 21.639 -49.610 -37.567 1.00 0.00 C ATOM 1147 CD2 PHE B 19 22.511 -51.829 -37.640 1.00 0.00 C ATOM 1148 CE1 PHE B 19 22.425 -49.262 -38.650 1.00 0.00 C ATOM 1149 CE2 PHE B 19 23.298 -51.487 -38.722 1.00 0.00 C ATOM 1150 CZ PHE B 19 23.255 -50.202 -39.228 1.00 0.00 C ATOM 0 H PHE B 19 21.407 -49.005 -35.069 1.00 0.00 H new ATOM 0 HA PHE B 19 20.802 -51.289 -33.724 1.00 0.00 H new ATOM 0 HB2 PHE B 19 20.549 -52.325 -35.952 1.00 0.00 H new ATOM 0 HB3 PHE B 19 19.888 -50.702 -35.913 1.00 0.00 H new ATOM 0 HD1 PHE B 19 20.991 -48.871 -37.118 1.00 0.00 H new ATOM 0 HD2 PHE B 19 22.549 -52.835 -37.249 1.00 0.00 H new ATOM 0 HE1 PHE B 19 22.390 -48.257 -39.043 1.00 0.00 H new ATOM 0 HE2 PHE B 19 23.947 -52.224 -39.172 1.00 0.00 H new ATOM 0 HZ PHE B 19 23.870 -49.933 -40.074 1.00 0.00 H new ATOM 1160 N PRO B 20 22.530 -53.224 -34.236 1.00 0.00 N ATOM 1161 CA PRO B 20 23.629 -54.186 -34.102 1.00 0.00 C ATOM 1162 C PRO B 20 24.426 -54.339 -35.394 1.00 0.00 C ATOM 1163 O PRO B 20 25.622 -54.629 -35.367 1.00 0.00 O ATOM 1164 CB PRO B 20 22.918 -55.496 -33.755 1.00 0.00 C ATOM 1165 CG PRO B 20 21.541 -55.338 -34.301 1.00 0.00 C ATOM 1166 CD PRO B 20 21.211 -53.876 -34.173 1.00 0.00 C ATOM 0 HA PRO B 20 24.356 -53.870 -33.354 1.00 0.00 H new ATOM 0 HB2 PRO B 20 23.425 -56.351 -34.202 1.00 0.00 H new ATOM 0 HB3 PRO B 20 22.900 -55.663 -32.678 1.00 0.00 H new ATOM 0 HG2 PRO B 20 21.494 -55.659 -35.342 1.00 0.00 H new ATOM 0 HG3 PRO B 20 20.829 -55.949 -33.747 1.00 0.00 H new ATOM 0 HD2 PRO B 20 20.557 -53.539 -34.977 1.00 0.00 H new ATOM 0 HD3 PRO B 20 20.700 -53.660 -33.235 1.00 0.00 H new ATOM 1174 N GLY B 21 23.755 -54.138 -36.523 1.00 0.00 N ATOM 1175 CA GLY B 21 24.417 -54.252 -37.810 1.00 0.00 C ATOM 1176 C GLY B 21 25.545 -53.253 -37.971 1.00 0.00 C ATOM 1177 O GLY B 21 26.332 -53.340 -38.914 1.00 0.00 O ATOM 0 H GLY B 21 22.765 -53.898 -36.570 1.00 0.00 H new ATOM 0 HA2 GLY B 21 24.811 -55.262 -37.925 1.00 0.00 H new ATOM 0 HA3 GLY B 21 23.687 -54.103 -38.605 1.00 0.00 H new ATOM 1181 N VAL B 22 25.625 -52.300 -37.047 1.00 0.00 N ATOM 1182 CA VAL B 22 26.666 -51.280 -37.091 1.00 0.00 C ATOM 1183 C VAL B 22 28.044 -51.890 -36.862 1.00 0.00 C ATOM 1184 O VAL B 22 28.161 -53.034 -36.423 1.00 0.00 O ATOM 1185 CB VAL B 22 26.422 -50.182 -36.038 1.00 0.00 C ATOM 1186 CG1 VAL B 22 25.086 -49.498 -36.279 1.00 0.00 C ATOM 1187 CG2 VAL B 22 26.487 -50.765 -34.634 1.00 0.00 C ATOM 0 H VAL B 22 24.982 -52.213 -36.260 1.00 0.00 H new ATOM 0 HA VAL B 22 26.629 -50.835 -38.085 1.00 0.00 H new ATOM 0 HB VAL B 22 27.208 -49.433 -36.132 1.00 0.00 H new ATOM 0 HG11 VAL B 22 24.931 -48.726 -35.525 1.00 0.00 H new ATOM 0 HG12 VAL B 22 25.083 -49.044 -37.270 1.00 0.00 H new ATOM 0 HG13 VAL B 22 24.284 -50.233 -36.215 1.00 0.00 H new ATOM 0 HG21 VAL B 22 26.312 -49.975 -33.904 1.00 0.00 H new ATOM 0 HG22 VAL B 22 25.724 -51.536 -34.524 1.00 0.00 H new ATOM 0 HG23 VAL B 22 27.471 -51.202 -34.467 1.00 0.00 H new ATOM 1197 N THR B 23 29.084 -51.120 -37.163 1.00 0.00 N ATOM 1198 CA THR B 23 30.455 -51.586 -36.990 1.00 0.00 C ATOM 1199 C THR B 23 31.263 -50.611 -36.140 1.00 0.00 C ATOM 1200 O THR B 23 30.777 -49.542 -35.771 1.00 0.00 O ATOM 1201 CB THR B 23 31.160 -51.774 -38.346 1.00 0.00 C ATOM 1202 OG1 THR B 23 31.194 -50.531 -39.058 1.00 0.00 O ATOM 1203 CG2 THR B 23 30.449 -52.825 -39.184 1.00 0.00 C ATOM 0 H THR B 23 29.004 -50.171 -37.528 1.00 0.00 H new ATOM 0 HA THR B 23 30.400 -52.549 -36.482 1.00 0.00 H new ATOM 0 HB THR B 23 32.179 -52.111 -38.157 1.00 0.00 H new ATOM 0 HG1 THR B 23 31.645 -50.659 -39.918 1.00 0.00 H new ATOM 0 HG21 THR B 23 30.965 -52.940 -40.137 1.00 0.00 H new ATOM 0 HG22 THR B 23 30.451 -53.777 -38.653 1.00 0.00 H new ATOM 0 HG23 THR B 23 29.420 -52.512 -39.364 1.00 0.00 H new ATOM 1211 N PRO B 24 32.514 -50.975 -35.820 1.00 0.00 N ATOM 1212 CA PRO B 24 33.401 -50.135 -35.009 1.00 0.00 C ATOM 1213 C PRO B 24 33.500 -48.711 -35.546 1.00 0.00 C ATOM 1214 O PRO B 24 33.445 -47.745 -34.785 1.00 0.00 O ATOM 1215 CB PRO B 24 34.755 -50.840 -35.117 1.00 0.00 C ATOM 1216 CG PRO B 24 34.418 -52.264 -35.402 1.00 0.00 C ATOM 1217 CD PRO B 24 33.160 -52.236 -36.225 1.00 0.00 C ATOM 0 HA PRO B 24 33.040 -50.030 -33.986 1.00 0.00 H new ATOM 0 HB2 PRO B 24 35.363 -50.410 -35.913 1.00 0.00 H new ATOM 0 HB3 PRO B 24 35.326 -50.745 -34.193 1.00 0.00 H new ATOM 0 HG2 PRO B 24 35.227 -52.756 -35.943 1.00 0.00 H new ATOM 0 HG3 PRO B 24 34.267 -52.822 -34.478 1.00 0.00 H new ATOM 0 HD2 PRO B 24 33.378 -52.251 -37.293 1.00 0.00 H new ATOM 0 HD3 PRO B 24 32.525 -53.097 -36.018 1.00 0.00 H new ATOM 1225 N SER B 25 33.647 -48.588 -36.861 1.00 0.00 N ATOM 1226 CA SER B 25 33.757 -47.280 -37.498 1.00 0.00 C ATOM 1227 C SER B 25 32.401 -46.585 -37.553 1.00 0.00 C ATOM 1228 O SER B 25 32.280 -45.412 -37.201 1.00 0.00 O ATOM 1229 CB SER B 25 34.327 -47.425 -38.910 1.00 0.00 C ATOM 1230 OG SER B 25 35.618 -48.010 -38.883 1.00 0.00 O ATOM 0 H SER B 25 33.693 -49.377 -37.506 1.00 0.00 H new ATOM 0 HA SER B 25 34.433 -46.668 -36.901 1.00 0.00 H new ATOM 0 HB2 SER B 25 33.659 -48.039 -39.514 1.00 0.00 H new ATOM 0 HB3 SER B 25 34.378 -46.446 -39.387 1.00 0.00 H new ATOM 0 HG SER B 25 35.959 -48.093 -39.798 1.00 0.00 H new ATOM 1236 N GLN B 26 31.384 -47.316 -37.996 1.00 0.00 N ATOM 1237 CA GLN B 26 30.036 -46.767 -38.098 1.00 0.00 C ATOM 1238 C GLN B 26 29.583 -46.186 -36.763 1.00 0.00 C ATOM 1239 O GLN B 26 29.051 -45.078 -36.706 1.00 0.00 O ATOM 1240 CB GLN B 26 29.056 -47.850 -38.555 1.00 0.00 C ATOM 1241 CG GLN B 26 29.395 -48.442 -39.913 1.00 0.00 C ATOM 1242 CD GLN B 26 28.412 -49.514 -40.343 1.00 0.00 C ATOM 1243 OE1 GLN B 26 28.598 -50.695 -40.052 1.00 0.00 O ATOM 1244 NE2 GLN B 26 27.359 -49.104 -41.039 1.00 0.00 N ATOM 0 H GLN B 26 31.467 -48.289 -38.290 1.00 0.00 H new ATOM 0 HA GLN B 26 30.051 -45.965 -38.836 1.00 0.00 H new ATOM 0 HB2 GLN B 26 29.038 -48.649 -37.814 1.00 0.00 H new ATOM 0 HB3 GLN B 26 28.052 -47.428 -38.592 1.00 0.00 H new ATOM 0 HG2 GLN B 26 29.409 -47.647 -40.659 1.00 0.00 H new ATOM 0 HG3 GLN B 26 30.398 -48.866 -39.880 1.00 0.00 H new ATOM 0 HE21 GLN B 26 27.246 -48.114 -41.257 1.00 0.00 H new ATOM 0 HE22 GLN B 26 26.663 -49.779 -41.356 1.00 0.00 H new ATOM 1253 N CYS B 27 29.796 -46.942 -35.689 1.00 0.00 N ATOM 1254 CA CYS B 27 29.405 -46.500 -34.357 1.00 0.00 C ATOM 1255 C CYS B 27 30.211 -45.277 -33.934 1.00 0.00 C ATOM 1256 O CYS B 27 29.670 -44.178 -33.811 1.00 0.00 O ATOM 1257 CB CYS B 27 29.599 -47.629 -33.343 1.00 0.00 C ATOM 1258 SG CYS B 27 29.022 -47.224 -31.663 1.00 0.00 S ATOM 0 H CYS B 27 30.236 -47.862 -35.717 1.00 0.00 H new ATOM 0 HA CYS B 27 28.350 -46.227 -34.387 1.00 0.00 H new ATOM 0 HB2 CYS B 27 29.069 -48.514 -33.695 1.00 0.00 H new ATOM 0 HB3 CYS B 27 30.657 -47.887 -33.300 1.00 0.00 H new ATOM 1263 N ALA B 28 31.511 -45.470 -33.732 1.00 0.00 N ATOM 1264 CA ALA B 28 32.398 -44.371 -33.374 1.00 0.00 C ATOM 1265 C ALA B 28 32.062 -43.121 -34.177 1.00 0.00 C ATOM 1266 O ALA B 28 32.022 -42.014 -33.637 1.00 0.00 O ATOM 1267 CB ALA B 28 33.849 -44.770 -33.595 1.00 0.00 C ATOM 0 H ALA B 28 31.972 -46.376 -33.810 1.00 0.00 H new ATOM 0 HA ALA B 28 32.255 -44.145 -32.317 1.00 0.00 H new ATOM 0 HB1 ALA B 28 34.500 -43.939 -33.323 1.00 0.00 H new ATOM 0 HB2 ALA B 28 34.087 -45.635 -32.976 1.00 0.00 H new ATOM 0 HB3 ALA B 28 34.001 -45.022 -34.644 1.00 0.00 H new ATOM 1273 N ASN B 29 31.800 -43.307 -35.467 1.00 0.00 N ATOM 1274 CA ASN B 29 31.408 -42.202 -36.333 1.00 0.00 C ATOM 1275 C ASN B 29 30.272 -41.406 -35.704 1.00 0.00 C ATOM 1276 O ASN B 29 30.229 -40.179 -35.802 1.00 0.00 O ATOM 1277 CB ASN B 29 30.983 -42.729 -37.705 1.00 0.00 C ATOM 1278 CG ASN B 29 30.544 -41.622 -38.641 1.00 0.00 C ATOM 1279 OD1 ASN B 29 31.354 -41.054 -39.374 1.00 0.00 O ATOM 1280 ND2 ASN B 29 29.253 -41.308 -38.622 1.00 0.00 N ATOM 0 H ASN B 29 31.852 -44.212 -35.935 1.00 0.00 H new ATOM 0 HA ASN B 29 32.267 -41.542 -36.459 1.00 0.00 H new ATOM 0 HB2 ASN B 29 31.814 -43.273 -38.155 1.00 0.00 H new ATOM 0 HB3 ASN B 29 30.166 -43.440 -37.580 1.00 0.00 H new ATOM 0 HD21 ASN B 29 28.899 -40.570 -39.231 1.00 0.00 H new ATOM 0 HD22 ASN B 29 28.616 -41.805 -37.999 1.00 0.00 H new ATOM 1287 N LYS B 30 29.363 -42.112 -35.039 1.00 0.00 N ATOM 1288 CA LYS B 30 28.257 -41.470 -34.339 1.00 0.00 C ATOM 1289 C LYS B 30 28.693 -41.015 -32.950 1.00 0.00 C ATOM 1290 O LYS B 30 28.288 -39.953 -32.477 1.00 0.00 O ATOM 1291 CB LYS B 30 27.071 -42.431 -34.227 1.00 0.00 C ATOM 1292 CG LYS B 30 26.553 -42.917 -35.570 1.00 0.00 C ATOM 1293 CD LYS B 30 26.080 -41.762 -36.438 1.00 0.00 C ATOM 1294 CE LYS B 30 25.570 -42.250 -37.784 1.00 0.00 C ATOM 1295 NZ LYS B 30 24.426 -43.191 -37.636 1.00 0.00 N ATOM 0 H LYS B 30 29.371 -43.130 -34.970 1.00 0.00 H new ATOM 0 HA LYS B 30 27.950 -40.595 -34.912 1.00 0.00 H new ATOM 0 HB2 LYS B 30 27.367 -43.292 -33.628 1.00 0.00 H new ATOM 0 HB3 LYS B 30 26.261 -41.935 -33.693 1.00 0.00 H new ATOM 0 HG2 LYS B 30 27.341 -43.464 -36.088 1.00 0.00 H new ATOM 0 HG3 LYS B 30 25.731 -43.615 -35.413 1.00 0.00 H new ATOM 0 HD2 LYS B 30 25.288 -41.219 -35.923 1.00 0.00 H new ATOM 0 HD3 LYS B 30 26.900 -41.061 -36.591 1.00 0.00 H new ATOM 0 HE2 LYS B 30 25.262 -41.396 -38.387 1.00 0.00 H new ATOM 0 HE3 LYS B 30 26.379 -42.744 -38.322 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 23.958 -43.316 -38.556 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 24.774 -44.111 -37.298 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 23.746 -42.805 -36.951 1.00 0.00 H new ATOM 1309 N GLY B 31 29.531 -41.822 -32.308 1.00 0.00 N ATOM 1310 CA GLY B 31 30.046 -41.472 -30.998 1.00 0.00 C ATOM 1311 C GLY B 31 29.317 -42.184 -29.875 1.00 0.00 C ATOM 1312 O GLY B 31 28.737 -41.544 -28.998 1.00 0.00 O ATOM 0 H GLY B 31 29.863 -42.715 -32.673 1.00 0.00 H new ATOM 0 HA2 GLY B 31 31.107 -41.718 -30.951 1.00 0.00 H new ATOM 0 HA3 GLY B 31 29.962 -40.395 -30.855 1.00 0.00 H new ATOM 1316 N CYS B 32 29.357 -43.512 -29.896 1.00 0.00 N ATOM 1317 CA CYS B 32 28.720 -44.314 -28.857 1.00 0.00 C ATOM 1318 C CYS B 32 29.458 -45.634 -28.658 1.00 0.00 C ATOM 1319 O CYS B 32 30.339 -45.989 -29.441 1.00 0.00 O ATOM 1320 CB CYS B 32 27.258 -44.584 -29.214 1.00 0.00 C ATOM 1321 SG CYS B 32 26.226 -43.087 -29.311 1.00 0.00 S ATOM 0 H CYS B 32 29.824 -44.056 -30.621 1.00 0.00 H new ATOM 0 HA CYS B 32 28.761 -43.751 -27.925 1.00 0.00 H new ATOM 0 HB2 CYS B 32 27.219 -45.101 -30.173 1.00 0.00 H new ATOM 0 HB3 CYS B 32 26.832 -45.258 -28.470 1.00 0.00 H new ATOM 1326 N CYS B 33 29.090 -46.358 -27.606 1.00 0.00 N ATOM 1327 CA CYS B 33 29.710 -47.644 -27.308 1.00 0.00 C ATOM 1328 C CYS B 33 29.369 -48.672 -28.382 1.00 0.00 C ATOM 1329 O CYS B 33 28.304 -48.613 -28.994 1.00 0.00 O ATOM 1330 CB CYS B 33 29.253 -48.151 -25.939 1.00 0.00 C ATOM 1331 SG CYS B 33 29.686 -47.051 -24.553 1.00 0.00 S ATOM 0 H CYS B 33 28.366 -46.076 -26.946 1.00 0.00 H new ATOM 0 HA CYS B 33 30.791 -47.503 -27.293 1.00 0.00 H new ATOM 0 HB2 CYS B 33 28.172 -48.286 -25.957 1.00 0.00 H new ATOM 0 HB3 CYS B 33 29.694 -49.132 -25.761 1.00 0.00 H new ATOM 1336 N PHE B 34 30.278 -49.617 -28.599 1.00 0.00 N ATOM 1337 CA PHE B 34 30.066 -50.667 -29.588 1.00 0.00 C ATOM 1338 C PHE B 34 30.290 -52.044 -28.972 1.00 0.00 C ATOM 1339 O PHE B 34 31.378 -52.346 -28.481 1.00 0.00 O ATOM 1340 CB PHE B 34 31.002 -50.472 -30.781 1.00 0.00 C ATOM 1341 CG PHE B 34 30.833 -51.511 -31.852 1.00 0.00 C ATOM 1342 CD1 PHE B 34 31.494 -52.727 -31.767 1.00 0.00 C ATOM 1343 CD2 PHE B 34 30.013 -51.273 -32.943 1.00 0.00 C ATOM 1344 CE1 PHE B 34 31.340 -53.685 -32.751 1.00 0.00 C ATOM 1345 CE2 PHE B 34 29.856 -52.228 -33.931 1.00 0.00 C ATOM 1346 CZ PHE B 34 30.519 -53.435 -33.834 1.00 0.00 C ATOM 0 H PHE B 34 31.168 -49.677 -28.104 1.00 0.00 H new ATOM 0 HA PHE B 34 29.034 -50.604 -29.933 1.00 0.00 H new ATOM 0 HB2 PHE B 34 30.828 -49.486 -31.212 1.00 0.00 H new ATOM 0 HB3 PHE B 34 32.034 -50.489 -30.430 1.00 0.00 H new ATOM 0 HD1 PHE B 34 32.136 -52.928 -30.922 1.00 0.00 H new ATOM 0 HD2 PHE B 34 29.491 -50.331 -33.023 1.00 0.00 H new ATOM 0 HE1 PHE B 34 31.861 -54.628 -32.674 1.00 0.00 H new ATOM 0 HE2 PHE B 34 29.215 -52.030 -34.778 1.00 0.00 H new ATOM 0 HZ PHE B 34 30.396 -54.183 -34.603 1.00 0.00 H new ATOM 1356 N ASP B 35 29.254 -52.875 -28.998 1.00 0.00 N ATOM 1357 CA ASP B 35 29.336 -54.219 -28.438 1.00 0.00 C ATOM 1358 C ASP B 35 28.715 -55.242 -29.384 1.00 0.00 C ATOM 1359 O ASP B 35 27.497 -55.419 -29.409 1.00 0.00 O ATOM 1360 CB ASP B 35 28.635 -54.271 -27.079 1.00 0.00 C ATOM 1361 CG ASP B 35 28.692 -55.650 -26.451 1.00 0.00 C ATOM 1362 OD1 ASP B 35 29.674 -56.378 -26.706 1.00 0.00 O ATOM 1363 OD2 ASP B 35 27.755 -56.001 -25.703 1.00 0.00 O ATOM 0 H ASP B 35 28.347 -52.641 -29.401 1.00 0.00 H new ATOM 0 HA ASP B 35 30.389 -54.467 -28.306 1.00 0.00 H new ATOM 0 HB2 ASP B 35 29.098 -53.549 -26.406 1.00 0.00 H new ATOM 0 HB3 ASP B 35 27.594 -53.972 -27.199 1.00 0.00 H new ATOM 1368 N ASP B 36 29.560 -55.912 -30.159 1.00 0.00 N ATOM 1369 CA ASP B 36 29.095 -56.918 -31.106 1.00 0.00 C ATOM 1370 C ASP B 36 29.205 -58.318 -30.512 1.00 0.00 C ATOM 1371 O ASP B 36 29.689 -59.244 -31.163 1.00 0.00 O ATOM 1372 CB ASP B 36 29.899 -56.836 -32.406 1.00 0.00 C ATOM 1373 CG ASP B 36 31.381 -57.065 -32.183 1.00 0.00 C ATOM 1374 OD1 ASP B 36 31.875 -56.734 -31.084 1.00 0.00 O ATOM 1375 OD2 ASP B 36 32.048 -57.576 -33.107 1.00 0.00 O ATOM 0 H ASP B 36 30.571 -55.777 -30.150 1.00 0.00 H new ATOM 0 HA ASP B 36 28.046 -56.718 -31.323 1.00 0.00 H new ATOM 0 HB2 ASP B 36 29.522 -57.577 -33.111 1.00 0.00 H new ATOM 0 HB3 ASP B 36 29.750 -55.857 -32.862 1.00 0.00 H new ATOM 1380 N THR B 37 28.755 -58.464 -29.270 1.00 0.00 N ATOM 1381 CA THR B 37 28.805 -59.751 -28.586 1.00 0.00 C ATOM 1382 C THR B 37 27.408 -60.220 -28.196 1.00 0.00 C ATOM 1383 O THR B 37 27.088 -61.404 -28.301 1.00 0.00 O ATOM 1384 CB THR B 37 29.681 -59.680 -27.322 1.00 0.00 C ATOM 1385 OG1 THR B 37 29.152 -58.709 -26.410 1.00 0.00 O ATOM 1386 CG2 THR B 37 31.115 -59.319 -27.678 1.00 0.00 C ATOM 0 H THR B 37 28.352 -57.708 -28.717 1.00 0.00 H new ATOM 0 HA THR B 37 29.243 -60.464 -29.284 1.00 0.00 H new ATOM 0 HB THR B 37 29.676 -60.662 -26.849 1.00 0.00 H new ATOM 0 HG1 THR B 37 29.716 -57.907 -26.422 1.00 0.00 H new ATOM 0 HG21 THR B 37 31.715 -59.275 -26.769 1.00 0.00 H new ATOM 0 HG22 THR B 37 31.525 -60.075 -28.347 1.00 0.00 H new ATOM 0 HG23 THR B 37 31.134 -58.348 -28.173 1.00 0.00 H new ATOM 1394 N VAL B 38 26.579 -59.286 -27.743 1.00 0.00 N ATOM 1395 CA VAL B 38 25.216 -59.606 -27.333 1.00 0.00 C ATOM 1396 C VAL B 38 24.247 -59.487 -28.504 1.00 0.00 C ATOM 1397 O VAL B 38 24.344 -58.563 -29.311 1.00 0.00 O ATOM 1398 CB VAL B 38 24.741 -58.686 -26.193 1.00 0.00 C ATOM 1399 CG1 VAL B 38 23.321 -59.042 -25.777 1.00 0.00 C ATOM 1400 CG2 VAL B 38 25.690 -58.772 -25.007 1.00 0.00 C ATOM 0 H VAL B 38 26.827 -58.301 -27.650 1.00 0.00 H new ATOM 0 HA VAL B 38 25.227 -60.636 -26.977 1.00 0.00 H new ATOM 0 HB VAL B 38 24.742 -57.658 -26.555 1.00 0.00 H new ATOM 0 HG11 VAL B 38 23.002 -58.382 -24.971 1.00 0.00 H new ATOM 0 HG12 VAL B 38 22.652 -58.924 -26.629 1.00 0.00 H new ATOM 0 HG13 VAL B 38 23.291 -60.076 -25.433 1.00 0.00 H new ATOM 0 HG21 VAL B 38 25.338 -58.115 -24.211 1.00 0.00 H new ATOM 0 HG22 VAL B 38 25.724 -59.798 -24.642 1.00 0.00 H new ATOM 0 HG23 VAL B 38 26.689 -58.464 -25.317 1.00 0.00 H new ATOM 1410 N ARG B 39 23.314 -60.429 -28.590 1.00 0.00 N ATOM 1411 CA ARG B 39 22.328 -60.431 -29.666 1.00 0.00 C ATOM 1412 C ARG B 39 21.045 -59.733 -29.229 1.00 0.00 C ATOM 1413 O ARG B 39 20.802 -59.548 -28.036 1.00 0.00 O ATOM 1414 CB ARG B 39 22.022 -61.865 -30.101 1.00 0.00 C ATOM 1415 CG ARG B 39 23.241 -62.625 -30.594 1.00 0.00 C ATOM 1416 CD ARG B 39 23.878 -61.939 -31.792 1.00 0.00 C ATOM 1417 NE ARG B 39 25.052 -62.660 -32.276 1.00 0.00 N ATOM 1418 CZ ARG B 39 25.845 -62.210 -33.242 1.00 0.00 C ATOM 1419 NH1 ARG B 39 25.592 -61.045 -33.823 1.00 0.00 N ATOM 1420 NH2 ARG B 39 26.894 -62.925 -33.629 1.00 0.00 N ATOM 0 H ARG B 39 23.219 -61.200 -27.929 1.00 0.00 H new ATOM 0 HA ARG B 39 22.746 -59.884 -30.511 1.00 0.00 H new ATOM 0 HB2 ARG B 39 21.583 -62.404 -29.262 1.00 0.00 H new ATOM 0 HB3 ARG B 39 21.273 -61.843 -30.893 1.00 0.00 H new ATOM 0 HG2 ARG B 39 23.971 -62.705 -29.789 1.00 0.00 H new ATOM 0 HG3 ARG B 39 22.953 -63.640 -30.866 1.00 0.00 H new ATOM 0 HD2 ARG B 39 23.146 -61.859 -32.595 1.00 0.00 H new ATOM 0 HD3 ARG B 39 24.164 -60.923 -31.518 1.00 0.00 H new ATOM 0 HE ARG B 39 25.275 -63.559 -31.849 1.00 0.00 H new ATOM 0 HH11 ARG B 39 24.787 -60.492 -33.528 1.00 0.00 H new ATOM 0 HH12 ARG B 39 26.202 -60.702 -34.565 1.00 0.00 H new ATOM 0 HH21 ARG B 39 27.092 -63.821 -33.185 1.00 0.00 H new ATOM 0 HH22 ARG B 39 27.502 -62.578 -34.371 1.00 0.00 H new ATOM 1434 N GLY B 40 20.224 -59.348 -30.201 1.00 0.00 N ATOM 1435 CA GLY B 40 18.975 -58.676 -29.895 1.00 0.00 C ATOM 1436 C GLY B 40 19.184 -57.253 -29.417 1.00 0.00 C ATOM 1437 O GLY B 40 18.521 -56.329 -29.888 1.00 0.00 O ATOM 0 H GLY B 40 20.402 -59.490 -31.195 1.00 0.00 H new ATOM 0 HA2 GLY B 40 18.343 -58.668 -30.783 1.00 0.00 H new ATOM 0 HA3 GLY B 40 18.442 -59.239 -29.129 1.00 0.00 H new ATOM 1441 N VAL B 41 20.107 -57.076 -28.478 1.00 0.00 N ATOM 1442 CA VAL B 41 20.403 -55.756 -27.937 1.00 0.00 C ATOM 1443 C VAL B 41 21.258 -54.945 -28.905 1.00 0.00 C ATOM 1444 O VAL B 41 22.029 -55.503 -29.684 1.00 0.00 O ATOM 1445 CB VAL B 41 21.132 -55.852 -26.584 1.00 0.00 C ATOM 1446 CG1 VAL B 41 20.280 -56.597 -25.569 1.00 0.00 C ATOM 1447 CG2 VAL B 41 22.485 -56.526 -26.753 1.00 0.00 C ATOM 0 H VAL B 41 20.663 -57.831 -28.076 1.00 0.00 H new ATOM 0 HA VAL B 41 19.447 -55.254 -27.790 1.00 0.00 H new ATOM 0 HB VAL B 41 21.299 -54.842 -26.210 1.00 0.00 H new ATOM 0 HG11 VAL B 41 20.812 -56.654 -24.619 1.00 0.00 H new ATOM 0 HG12 VAL B 41 19.338 -56.067 -25.426 1.00 0.00 H new ATOM 0 HG13 VAL B 41 20.078 -57.604 -25.933 1.00 0.00 H new ATOM 0 HG21 VAL B 41 22.985 -56.585 -25.786 1.00 0.00 H new ATOM 0 HG22 VAL B 41 22.344 -57.531 -27.150 1.00 0.00 H new ATOM 0 HG23 VAL B 41 23.097 -55.946 -27.444 1.00 0.00 H new ATOM 1457 N PRO B 42 21.128 -53.611 -28.862 1.00 0.00 N ATOM 1458 CA PRO B 42 21.890 -52.712 -29.735 1.00 0.00 C ATOM 1459 C PRO B 42 23.373 -52.684 -29.382 1.00 0.00 C ATOM 1460 O PRO B 42 23.748 -52.326 -28.264 1.00 0.00 O ATOM 1461 CB PRO B 42 21.252 -51.344 -29.482 1.00 0.00 C ATOM 1462 CG PRO B 42 20.668 -51.445 -28.115 1.00 0.00 C ATOM 1463 CD PRO B 42 20.228 -52.875 -27.957 1.00 0.00 C ATOM 0 HA PRO B 42 21.852 -53.027 -30.778 1.00 0.00 H new ATOM 0 HB2 PRO B 42 21.992 -50.546 -29.538 1.00 0.00 H new ATOM 0 HB3 PRO B 42 20.486 -51.121 -30.224 1.00 0.00 H new ATOM 0 HG2 PRO B 42 21.403 -51.177 -27.356 1.00 0.00 H new ATOM 0 HG3 PRO B 42 19.826 -50.763 -27.999 1.00 0.00 H new ATOM 0 HD2 PRO B 42 20.329 -53.215 -26.926 1.00 0.00 H new ATOM 0 HD3 PRO B 42 19.182 -53.007 -28.235 1.00 0.00 H new ATOM 1471 N TRP B 43 24.213 -53.062 -30.339 1.00 0.00 N ATOM 1472 CA TRP B 43 25.655 -53.080 -30.126 1.00 0.00 C ATOM 1473 C TRP B 43 26.185 -51.672 -29.875 1.00 0.00 C ATOM 1474 O TRP B 43 26.965 -51.449 -28.949 1.00 0.00 O ATOM 1475 CB TRP B 43 26.364 -53.697 -31.333 1.00 0.00 C ATOM 1476 CG TRP B 43 25.960 -55.115 -31.599 1.00 0.00 C ATOM 1477 CD1 TRP B 43 25.032 -55.845 -30.914 1.00 0.00 C ATOM 1478 CD2 TRP B 43 26.474 -55.976 -32.622 1.00 0.00 C ATOM 1479 NE1 TRP B 43 24.936 -57.107 -31.449 1.00 0.00 N ATOM 1480 CE2 TRP B 43 25.811 -57.212 -32.499 1.00 0.00 C ATOM 1481 CE3 TRP B 43 27.430 -55.822 -33.630 1.00 0.00 C ATOM 1482 CZ2 TRP B 43 26.073 -58.286 -33.346 1.00 0.00 C ATOM 1483 CZ3 TRP B 43 27.688 -56.889 -34.470 1.00 0.00 C ATOM 1484 CH2 TRP B 43 27.013 -58.107 -34.324 1.00 0.00 C ATOM 0 H TRP B 43 23.920 -53.360 -31.270 1.00 0.00 H new ATOM 0 HA TRP B 43 25.859 -53.688 -29.245 1.00 0.00 H new ATOM 0 HB2 TRP B 43 26.152 -53.095 -32.216 1.00 0.00 H new ATOM 0 HB3 TRP B 43 27.441 -53.658 -31.171 1.00 0.00 H new ATOM 0 HD1 TRP B 43 24.457 -55.483 -30.074 1.00 0.00 H new ATOM 0 HE1 TRP B 43 24.315 -57.845 -31.119 1.00 0.00 H new ATOM 0 HE3 TRP B 43 27.957 -54.887 -33.750 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 25.553 -59.226 -33.235 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 28.424 -56.781 -35.253 1.00 0.00 H new ATOM 0 HH2 TRP B 43 27.239 -58.921 -34.997 1.00 0.00 H new ATOM 1495 N CYS B 44 25.754 -50.726 -30.703 1.00 0.00 N ATOM 1496 CA CYS B 44 26.183 -49.340 -30.564 1.00 0.00 C ATOM 1497 C CYS B 44 25.159 -48.535 -29.768 1.00 0.00 C ATOM 1498 O CYS B 44 24.098 -48.182 -30.281 1.00 0.00 O ATOM 1499 CB CYS B 44 26.391 -48.706 -31.940 1.00 0.00 C ATOM 1500 SG CYS B 44 27.017 -46.996 -31.885 1.00 0.00 S ATOM 0 H CYS B 44 25.109 -50.894 -31.476 1.00 0.00 H new ATOM 0 HA CYS B 44 27.129 -49.330 -30.023 1.00 0.00 H new ATOM 0 HB2 CYS B 44 27.090 -49.319 -32.509 1.00 0.00 H new ATOM 0 HB3 CYS B 44 25.444 -48.718 -32.480 1.00 0.00 H new ATOM 1505 N PHE B 45 25.482 -48.258 -28.510 1.00 0.00 N ATOM 1506 CA PHE B 45 24.578 -47.525 -27.631 1.00 0.00 C ATOM 1507 C PHE B 45 25.310 -46.398 -26.909 1.00 0.00 C ATOM 1508 O PHE B 45 26.506 -46.495 -26.637 1.00 0.00 O ATOM 1509 CB PHE B 45 23.949 -48.476 -26.612 1.00 0.00 C ATOM 1510 CG PHE B 45 24.960 -49.214 -25.780 1.00 0.00 C ATOM 1511 CD1 PHE B 45 25.524 -50.393 -26.240 1.00 0.00 C ATOM 1512 CD2 PHE B 45 25.346 -48.729 -24.541 1.00 0.00 C ATOM 1513 CE1 PHE B 45 26.455 -51.075 -25.480 1.00 0.00 C ATOM 1514 CE2 PHE B 45 26.276 -49.407 -23.776 1.00 0.00 C ATOM 1515 CZ PHE B 45 26.832 -50.581 -24.246 1.00 0.00 C ATOM 0 H PHE B 45 26.364 -48.530 -28.075 1.00 0.00 H new ATOM 0 HA PHE B 45 23.792 -47.084 -28.244 1.00 0.00 H new ATOM 0 HB2 PHE B 45 23.292 -47.908 -25.953 1.00 0.00 H new ATOM 0 HB3 PHE B 45 23.325 -49.199 -27.138 1.00 0.00 H new ATOM 0 HD1 PHE B 45 25.233 -50.784 -27.204 1.00 0.00 H new ATOM 0 HD2 PHE B 45 24.915 -47.811 -24.169 1.00 0.00 H new ATOM 0 HE1 PHE B 45 26.887 -51.993 -25.850 1.00 0.00 H new ATOM 0 HE2 PHE B 45 26.568 -49.019 -22.811 1.00 0.00 H new ATOM 0 HZ PHE B 45 27.560 -51.112 -23.650 1.00 0.00 H new ATOM 1525 N TYR B 46 24.582 -45.332 -26.598 1.00 0.00 N ATOM 1526 CA TYR B 46 25.159 -44.190 -25.898 1.00 0.00 C ATOM 1527 C TYR B 46 25.842 -44.632 -24.608 1.00 0.00 C ATOM 1528 O TYR B 46 25.382 -45.554 -23.935 1.00 0.00 O ATOM 1529 CB TYR B 46 24.076 -43.156 -25.583 1.00 0.00 C ATOM 1530 CG TYR B 46 23.387 -42.604 -26.811 1.00 0.00 C ATOM 1531 CD1 TYR B 46 23.906 -41.504 -27.484 1.00 0.00 C ATOM 1532 CD2 TYR B 46 22.220 -43.179 -27.296 1.00 0.00 C ATOM 1533 CE1 TYR B 46 23.280 -40.994 -28.606 1.00 0.00 C ATOM 1534 CE2 TYR B 46 21.588 -42.675 -28.417 1.00 0.00 C ATOM 1535 CZ TYR B 46 22.121 -41.583 -29.069 1.00 0.00 C ATOM 1536 OH TYR B 46 21.495 -41.079 -30.185 1.00 0.00 O ATOM 0 H TYR B 46 23.591 -45.234 -26.819 1.00 0.00 H new ATOM 0 HA TYR B 46 25.906 -43.737 -26.550 1.00 0.00 H new ATOM 0 HB2 TYR B 46 23.330 -43.611 -24.932 1.00 0.00 H new ATOM 0 HB3 TYR B 46 24.523 -42.332 -25.027 1.00 0.00 H new ATOM 0 HD1 TYR B 46 24.813 -41.040 -27.125 1.00 0.00 H new ATOM 0 HD2 TYR B 46 21.799 -44.034 -26.789 1.00 0.00 H new ATOM 0 HE1 TYR B 46 23.696 -40.139 -29.118 1.00 0.00 H new ATOM 0 HE2 TYR B 46 20.681 -43.134 -28.781 1.00 0.00 H new ATOM 0 HH TYR B 46 20.694 -41.609 -30.378 1.00 0.00 H new ATOM 1546 N PRO B 47 26.953 -43.972 -24.250 1.00 0.00 N ATOM 1547 CA PRO B 47 27.705 -44.289 -23.032 1.00 0.00 C ATOM 1548 C PRO B 47 26.969 -43.858 -21.769 1.00 0.00 C ATOM 1549 O PRO B 47 25.823 -43.413 -21.828 1.00 0.00 O ATOM 1550 CB PRO B 47 28.998 -43.488 -23.198 1.00 0.00 C ATOM 1551 CG PRO B 47 28.624 -42.343 -24.074 1.00 0.00 C ATOM 1552 CD PRO B 47 27.561 -42.862 -25.005 1.00 0.00 C ATOM 0 HA PRO B 47 27.863 -45.361 -22.916 1.00 0.00 H new ATOM 0 HB2 PRO B 47 29.376 -43.143 -22.236 1.00 0.00 H new ATOM 0 HB3 PRO B 47 29.783 -44.093 -23.651 1.00 0.00 H new ATOM 0 HG2 PRO B 47 28.251 -41.506 -23.484 1.00 0.00 H new ATOM 0 HG3 PRO B 47 29.487 -41.980 -24.631 1.00 0.00 H new ATOM 0 HD2 PRO B 47 26.828 -42.092 -25.246 1.00 0.00 H new ATOM 0 HD3 PRO B 47 27.986 -43.204 -25.949 1.00 0.00 H new