USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 584 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 54 SER OG : rot -52:sc= 0.704 USER MOD Set 1.2: A 64 GLN :FLIP amide:sc= 0.626 F(o=-0.11,f=1.3) USER MOD Single : A 17 SER OG : rot 92:sc= 0.998 USER MOD Single : A 18 GLN : amide:sc= -2.55! C(o=-2.6!,f=-6.3!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 173:sc= 0.646 USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= -0.105 (180deg=-0.546) USER MOD Single : A 35 MET CE :methyl -132:sc= -2.46 (180deg=-6.34!) USER MOD Single : A 45 SER OG : rot 40:sc= 0.469 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0935 USER MOD Single : A 52 THR OG1 : rot 43:sc= 0.0372 USER MOD Single : A 56 ASN : amide:sc= -2.77 K(o=-2.8,f=-4.8) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN :FLIP amide:sc= -5.16! C(o=-7!,f=-5.2!) USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -133:sc= -4.57! USER MOD Single : A 75 GLN : amide:sc= -0.827 X(o=-0.83,f=-0.39) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -1.55! C(o=-1.6!,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 89 N ARG A 6 -6.728 -8.805 -1.389 1.00 0.00 N ATOM 90 CA ARG A 6 -7.620 -7.820 -0.850 1.00 0.00 C ATOM 91 C ARG A 6 -7.223 -7.708 0.593 1.00 0.00 C ATOM 92 O ARG A 6 -6.938 -8.729 1.243 1.00 0.00 O ATOM 93 CB ARG A 6 -9.115 -8.066 -1.098 1.00 0.00 C ATOM 94 CG ARG A 6 -9.974 -8.266 0.145 1.00 0.00 C ATOM 95 CD ARG A 6 -10.511 -6.944 0.680 1.00 0.00 C ATOM 96 NE ARG A 6 -11.434 -6.299 -0.258 1.00 0.00 N ATOM 97 CZ ARG A 6 -11.881 -5.046 -0.132 1.00 0.00 C ATOM 98 NH1 ARG A 6 -11.515 -4.299 0.905 1.00 0.00 N ATOM 99 NH2 ARG A 6 -12.716 -4.548 -1.039 1.00 0.00 N ATOM 0 HA ARG A 6 -7.513 -6.869 -1.372 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -9.514 -7.221 -1.659 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.218 -8.947 -1.732 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -10.807 -8.928 -0.092 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -9.385 -8.759 0.918 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -11.022 -7.118 1.627 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.678 -6.272 0.886 1.00 0.00 H new ATOM 0 HE ARG A 6 -11.756 -6.842 -1.059 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -10.888 -4.681 1.613 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.861 -3.344 0.993 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -13.013 -5.122 -1.828 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -13.059 -3.592 -0.946 1.00 0.00 H new ATOM 113 N LEU A 7 -7.046 -6.499 1.064 1.00 0.00 N ATOM 114 CA LEU A 7 -6.232 -6.355 2.226 1.00 0.00 C ATOM 115 C LEU A 7 -6.454 -5.089 3.036 1.00 0.00 C ATOM 116 O LEU A 7 -7.144 -4.138 2.634 1.00 0.00 O ATOM 117 CB LEU A 7 -4.747 -6.473 1.864 1.00 0.00 C ATOM 118 CG LEU A 7 -4.337 -5.876 0.523 1.00 0.00 C ATOM 119 CD1 LEU A 7 -4.671 -6.798 -0.601 1.00 0.00 C ATOM 120 CD2 LEU A 7 -4.901 -4.444 0.361 1.00 0.00 C ATOM 0 H LEU A 7 -7.438 -5.641 0.677 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.547 -7.174 2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.163 -5.991 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.475 -7.529 1.868 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.253 -5.769 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.367 -6.346 -1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.145 -7.743 -0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.746 -6.980 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.595 -4.039 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.989 -4.474 0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.517 -3.809 1.159 1.00 0.00 H new ATOM 132 N PHE A 8 -5.798 -5.093 4.175 1.00 0.00 N ATOM 133 CA PHE A 8 -5.779 -3.936 5.036 1.00 0.00 C ATOM 134 C PHE A 8 -4.341 -3.422 5.085 1.00 0.00 C ATOM 135 O PHE A 8 -3.536 -3.867 5.907 1.00 0.00 O ATOM 136 CB PHE A 8 -6.272 -4.290 6.447 1.00 0.00 C ATOM 137 CG PHE A 8 -7.685 -4.814 6.508 1.00 0.00 C ATOM 138 CD1 PHE A 8 -8.759 -3.943 6.631 1.00 0.00 C ATOM 139 CD2 PHE A 8 -7.938 -6.177 6.471 1.00 0.00 C ATOM 140 CE1 PHE A 8 -10.055 -4.420 6.705 1.00 0.00 C ATOM 141 CE2 PHE A 8 -9.232 -6.661 6.549 1.00 0.00 C ATOM 142 CZ PHE A 8 -10.291 -5.781 6.670 1.00 0.00 C ATOM 0 H PHE A 8 -5.268 -5.891 4.526 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.448 -3.169 4.646 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.603 -5.037 6.874 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.201 -3.402 7.075 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.580 -2.879 6.669 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.114 -6.870 6.380 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -10.881 -3.730 6.790 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.414 -7.725 6.515 1.00 0.00 H new ATOM 0 HZ PHE A 8 -11.301 -6.157 6.737 1.00 0.00 H new ATOM 152 N ALA A 9 -4.008 -2.524 4.173 1.00 0.00 N ATOM 153 CA ALA A 9 -2.625 -2.105 4.021 1.00 0.00 C ATOM 154 C ALA A 9 -2.288 -0.916 4.911 1.00 0.00 C ATOM 155 O ALA A 9 -2.589 0.223 4.579 1.00 0.00 O ATOM 156 CB ALA A 9 -2.335 -1.781 2.564 1.00 0.00 C ATOM 0 H ALA A 9 -4.666 -2.076 3.535 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.991 -2.933 4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.296 -1.468 2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.510 -2.666 1.953 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.991 -0.976 2.233 1.00 0.00 H new ATOM 162 N ILE A 10 -1.676 -1.188 6.053 1.00 0.00 N ATOM 163 CA ILE A 10 -1.208 -0.124 6.928 1.00 0.00 C ATOM 164 C ILE A 10 0.199 0.285 6.518 1.00 0.00 C ATOM 165 O ILE A 10 1.165 -0.414 6.812 1.00 0.00 O ATOM 166 CB ILE A 10 -1.177 -0.572 8.405 1.00 0.00 C ATOM 167 CG1 ILE A 10 -2.517 -1.203 8.801 1.00 0.00 C ATOM 168 CG2 ILE A 10 -0.855 0.613 9.313 1.00 0.00 C ATOM 169 CD1 ILE A 10 -2.532 -1.785 10.200 1.00 0.00 C ATOM 0 H ILE A 10 -1.492 -2.131 6.395 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.900 0.712 6.833 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.395 -1.322 8.524 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.300 -0.448 8.724 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.762 -1.990 8.088 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.837 0.281 10.351 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.119 1.022 9.046 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.617 1.382 9.191 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.513 -2.212 10.406 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.773 -2.564 10.278 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.320 -0.998 10.924 1.00 0.00 H new ATOM 181 N LEU A 11 0.324 1.403 5.836 1.00 0.00 N ATOM 182 CA LEU A 11 1.618 1.783 5.350 1.00 0.00 C ATOM 183 C LEU A 11 2.032 3.095 5.978 1.00 0.00 C ATOM 184 O LEU A 11 1.196 3.918 6.347 1.00 0.00 O ATOM 185 CB LEU A 11 1.636 1.896 3.821 1.00 0.00 C ATOM 186 CG LEU A 11 0.402 1.354 3.092 1.00 0.00 C ATOM 187 CD1 LEU A 11 -0.697 2.404 3.045 1.00 0.00 C ATOM 188 CD2 LEU A 11 0.771 0.893 1.690 1.00 0.00 C ATOM 0 H LEU A 11 -0.437 2.045 5.613 1.00 0.00 H new ATOM 0 HA LEU A 11 2.328 1.005 5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.758 2.946 3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.514 1.369 3.448 1.00 0.00 H new ATOM 0 HG LEU A 11 0.025 0.494 3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.564 2.000 2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.980 2.680 4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.335 3.286 2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.117 0.511 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.175 1.733 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.520 0.104 1.752 1.00 0.00 H new ATOM 200 N ARG A 12 3.324 3.248 6.124 1.00 0.00 N ATOM 201 CA ARG A 12 3.940 4.475 6.632 1.00 0.00 C ATOM 202 C ARG A 12 5.202 4.727 5.821 1.00 0.00 C ATOM 203 O ARG A 12 5.760 3.781 5.262 1.00 0.00 O ATOM 204 CB ARG A 12 4.296 4.316 8.117 1.00 0.00 C ATOM 205 CG ARG A 12 3.102 4.016 9.015 1.00 0.00 C ATOM 206 CD ARG A 12 2.214 5.235 9.202 1.00 0.00 C ATOM 207 NE ARG A 12 2.903 6.286 9.947 1.00 0.00 N ATOM 208 CZ ARG A 12 2.289 7.203 10.689 1.00 0.00 C ATOM 209 NH1 ARG A 12 0.964 7.229 10.774 1.00 0.00 N ATOM 210 NH2 ARG A 12 3.003 8.104 11.349 1.00 0.00 N ATOM 0 H ARG A 12 3.999 2.519 5.893 1.00 0.00 H new ATOM 0 HA ARG A 12 3.249 5.312 6.538 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.026 3.513 8.221 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.777 5.230 8.464 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.518 3.204 8.583 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.456 3.672 9.987 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.908 5.618 8.228 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.305 4.948 9.731 1.00 0.00 H new ATOM 0 HE ARG A 12 3.921 6.319 9.895 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.407 6.541 10.267 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.503 7.937 11.346 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.021 8.093 11.287 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.534 8.808 11.919 1.00 0.00 H new ATOM 224 N LEU A 13 5.659 5.970 5.731 1.00 0.00 N ATOM 225 CA LEU A 13 6.870 6.163 4.988 1.00 0.00 C ATOM 226 C LEU A 13 8.014 5.752 5.888 1.00 0.00 C ATOM 227 O LEU A 13 7.927 5.861 7.113 1.00 0.00 O ATOM 228 CB LEU A 13 7.099 7.606 4.497 1.00 0.00 C ATOM 229 CG LEU A 13 5.887 8.424 4.017 1.00 0.00 C ATOM 230 CD1 LEU A 13 6.353 9.552 3.118 1.00 0.00 C ATOM 231 CD2 LEU A 13 4.845 7.600 3.292 1.00 0.00 C ATOM 0 H LEU A 13 5.234 6.803 6.138 1.00 0.00 H new ATOM 0 HA LEU A 13 6.801 5.560 4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.572 8.160 5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.817 7.566 3.678 1.00 0.00 H new ATOM 0 HG LEU A 13 5.407 8.816 4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.491 10.128 2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.030 10.202 3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.873 9.138 2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.021 8.244 2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.294 7.139 2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.468 6.823 3.957 1.00 0.00 H new ATOM 243 N ALA A 14 9.059 5.301 5.263 1.00 0.00 N ATOM 244 CA ALA A 14 10.209 4.697 5.943 1.00 0.00 C ATOM 245 C ALA A 14 10.798 5.604 7.024 1.00 0.00 C ATOM 246 O ALA A 14 11.165 5.135 8.105 1.00 0.00 O ATOM 247 CB ALA A 14 11.280 4.329 4.928 1.00 0.00 C ATOM 0 H ALA A 14 9.157 5.334 4.248 1.00 0.00 H new ATOM 0 HA ALA A 14 9.849 3.798 6.443 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.130 3.881 5.442 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.873 3.616 4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.606 5.226 4.402 1.00 0.00 H new ATOM 253 N ASP A 15 10.875 6.897 6.737 1.00 0.00 N ATOM 254 CA ASP A 15 11.452 7.863 7.673 1.00 0.00 C ATOM 255 C ASP A 15 10.507 8.156 8.835 1.00 0.00 C ATOM 256 O ASP A 15 10.896 8.780 9.822 1.00 0.00 O ATOM 257 CB ASP A 15 11.836 9.165 6.952 1.00 0.00 C ATOM 258 CG ASP A 15 10.676 9.835 6.235 1.00 0.00 C ATOM 259 OD1 ASP A 15 9.562 9.263 6.199 1.00 0.00 O ATOM 260 OD2 ASP A 15 10.884 10.929 5.672 1.00 0.00 O ATOM 0 H ASP A 15 10.545 7.305 5.862 1.00 0.00 H new ATOM 0 HA ASP A 15 12.356 7.414 8.084 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.253 9.862 7.679 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.623 8.950 6.229 1.00 0.00 H new ATOM 265 N GLY A 16 9.273 7.691 8.721 1.00 0.00 N ATOM 266 CA GLY A 16 8.337 7.874 9.811 1.00 0.00 C ATOM 267 C GLY A 16 7.187 8.763 9.416 1.00 0.00 C ATOM 268 O GLY A 16 6.543 9.387 10.262 1.00 0.00 O ATOM 0 H GLY A 16 8.906 7.198 7.907 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.954 6.904 10.129 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.855 8.308 10.666 1.00 0.00 H new ATOM 272 N SER A 17 6.927 8.802 8.128 1.00 0.00 N ATOM 273 CA SER A 17 5.886 9.644 7.594 1.00 0.00 C ATOM 274 C SER A 17 4.691 8.778 7.184 1.00 0.00 C ATOM 275 O SER A 17 4.528 7.671 7.702 1.00 0.00 O ATOM 276 CB SER A 17 6.454 10.431 6.420 1.00 0.00 C ATOM 277 OG SER A 17 7.647 11.100 6.788 1.00 0.00 O ATOM 0 H SER A 17 7.428 8.255 7.428 1.00 0.00 H new ATOM 0 HA SER A 17 5.533 10.353 8.343 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.653 9.756 5.587 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.718 11.156 6.073 1.00 0.00 H new ATOM 0 HG SER A 17 8.418 10.529 6.586 1.00 0.00 H new ATOM 283 N GLN A 18 3.873 9.249 6.251 1.00 0.00 N ATOM 284 CA GLN A 18 2.607 8.580 5.958 1.00 0.00 C ATOM 285 C GLN A 18 2.276 8.537 4.485 1.00 0.00 C ATOM 286 O GLN A 18 2.476 9.520 3.775 1.00 0.00 O ATOM 287 CB GLN A 18 1.483 9.367 6.576 1.00 0.00 C ATOM 288 CG GLN A 18 0.687 8.653 7.645 1.00 0.00 C ATOM 289 CD GLN A 18 -0.197 9.617 8.417 1.00 0.00 C ATOM 290 OE1 GLN A 18 -1.266 9.255 8.893 1.00 0.00 O ATOM 291 NE2 GLN A 18 0.249 10.862 8.548 1.00 0.00 N ATOM 0 H GLN A 18 4.058 10.080 5.690 1.00 0.00 H new ATOM 0 HA GLN A 18 2.713 7.567 6.345 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.897 10.279 7.007 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.799 9.671 5.783 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.070 7.880 7.186 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.368 8.151 8.333 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.144 11.129 8.138 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.304 11.551 9.058 1.00 0.00 H new ATOM 300 N PRO A 19 1.777 7.397 3.996 1.00 0.00 N ATOM 301 CA PRO A 19 0.866 7.405 2.884 1.00 0.00 C ATOM 302 C PRO A 19 -0.465 7.790 3.480 1.00 0.00 C ATOM 303 O PRO A 19 -1.119 6.989 4.149 1.00 0.00 O ATOM 304 CB PRO A 19 0.864 5.954 2.376 1.00 0.00 C ATOM 305 CG PRO A 19 1.894 5.245 3.194 1.00 0.00 C ATOM 306 CD PRO A 19 2.061 6.047 4.452 1.00 0.00 C ATOM 0 HA PRO A 19 1.110 8.083 2.066 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.118 5.496 2.498 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.107 5.909 1.314 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.576 4.227 3.421 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.837 5.171 2.652 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.371 5.728 5.233 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.068 5.959 4.860 1.00 0.00 H new ATOM 314 N PRO A 20 -0.848 9.043 3.298 1.00 0.00 N ATOM 315 CA PRO A 20 -1.892 9.666 4.052 1.00 0.00 C ATOM 316 C PRO A 20 -3.167 9.881 3.230 1.00 0.00 C ATOM 317 O PRO A 20 -3.127 9.850 1.999 1.00 0.00 O ATOM 318 CB PRO A 20 -1.160 10.958 4.405 1.00 0.00 C ATOM 319 CG PRO A 20 -0.423 11.314 3.158 1.00 0.00 C ATOM 320 CD PRO A 20 -0.253 10.023 2.395 1.00 0.00 C ATOM 0 HA PRO A 20 -2.277 9.103 4.902 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.857 11.745 4.694 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.478 10.813 5.243 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.979 12.044 2.571 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.544 11.761 3.390 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.763 10.050 1.432 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.796 9.805 2.194 1.00 0.00 H new ATOM 328 N PHE A 21 -4.280 10.077 3.945 1.00 0.00 N ATOM 329 CA PHE A 21 -5.645 10.068 3.390 1.00 0.00 C ATOM 330 C PHE A 21 -5.719 10.261 1.872 1.00 0.00 C ATOM 331 O PHE A 21 -5.553 11.371 1.357 1.00 0.00 O ATOM 332 CB PHE A 21 -6.475 11.131 4.079 1.00 0.00 C ATOM 333 CG PHE A 21 -7.935 11.094 3.715 1.00 0.00 C ATOM 334 CD1 PHE A 21 -8.785 10.179 4.313 1.00 0.00 C ATOM 335 CD2 PHE A 21 -8.456 11.971 2.775 1.00 0.00 C ATOM 336 CE1 PHE A 21 -10.125 10.134 3.978 1.00 0.00 C ATOM 337 CE2 PHE A 21 -9.796 11.928 2.435 1.00 0.00 C ATOM 338 CZ PHE A 21 -10.631 11.009 3.041 1.00 0.00 C ATOM 0 H PHE A 21 -4.260 10.251 4.950 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.040 9.070 3.581 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.376 11.013 5.158 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.072 12.112 3.828 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.396 9.492 5.050 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.808 12.695 2.303 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -10.776 9.413 4.450 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -10.189 12.612 1.697 1.00 0.00 H new ATOM 0 HZ PHE A 21 -11.679 10.976 2.781 1.00 0.00 H new ATOM 348 N GLY A 22 -5.961 9.162 1.168 1.00 0.00 N ATOM 349 CA GLY A 22 -6.114 9.222 -0.253 1.00 0.00 C ATOM 350 C GLY A 22 -4.884 8.722 -0.943 1.00 0.00 C ATOM 351 O GLY A 22 -4.774 8.801 -2.166 1.00 0.00 O ATOM 0 H GLY A 22 -6.053 8.229 1.570 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.974 8.625 -0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.315 10.249 -0.558 1.00 0.00 H new ATOM 355 N ALA A 23 -3.933 8.239 -0.148 1.00 0.00 N ATOM 356 CA ALA A 23 -2.815 7.538 -0.728 1.00 0.00 C ATOM 357 C ALA A 23 -3.326 6.314 -1.444 1.00 0.00 C ATOM 358 O ALA A 23 -3.740 5.331 -0.821 1.00 0.00 O ATOM 359 CB ALA A 23 -1.749 7.177 0.290 1.00 0.00 C ATOM 0 H ALA A 23 -3.920 8.321 0.869 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.326 8.206 -1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.934 6.651 -0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.365 8.086 0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.181 6.534 1.057 1.00 0.00 H new ATOM 365 N SER A 24 -3.419 6.496 -2.745 1.00 0.00 N ATOM 366 CA SER A 24 -3.745 5.460 -3.706 1.00 0.00 C ATOM 367 C SER A 24 -2.594 4.497 -3.893 1.00 0.00 C ATOM 368 O SER A 24 -1.656 4.810 -4.617 1.00 0.00 O ATOM 369 CB SER A 24 -4.051 6.107 -5.059 1.00 0.00 C ATOM 370 OG SER A 24 -5.442 6.298 -5.242 1.00 0.00 O ATOM 0 H SER A 24 -3.264 7.405 -3.180 1.00 0.00 H new ATOM 0 HA SER A 24 -4.607 4.911 -3.328 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.539 7.067 -5.128 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.661 5.479 -5.860 1.00 0.00 H new ATOM 0 HG SER A 24 -5.603 6.714 -6.114 1.00 0.00 H new ATOM 376 N VAL A 25 -2.637 3.337 -3.260 1.00 0.00 N ATOM 377 CA VAL A 25 -1.596 2.375 -3.550 1.00 0.00 C ATOM 378 C VAL A 25 -2.018 1.504 -4.702 1.00 0.00 C ATOM 379 O VAL A 25 -3.024 0.771 -4.607 1.00 0.00 O ATOM 380 CB VAL A 25 -1.173 1.470 -2.362 1.00 0.00 C ATOM 381 CG1 VAL A 25 -0.730 2.297 -1.167 1.00 0.00 C ATOM 382 CG2 VAL A 25 -2.258 0.509 -1.925 1.00 0.00 C ATOM 0 H VAL A 25 -3.341 3.051 -2.579 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.718 2.975 -3.791 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.336 0.879 -2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.440 1.633 -0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.120 2.918 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.552 2.934 -0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.897 -0.093 -1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.138 1.071 -1.612 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.522 -0.144 -2.757 1.00 0.00 H new ATOM 392 N THR A 26 -1.308 1.629 -5.825 1.00 0.00 N ATOM 393 CA THR A 26 -1.506 0.685 -6.895 1.00 0.00 C ATOM 394 C THR A 26 -0.231 0.494 -7.654 1.00 0.00 C ATOM 395 O THR A 26 0.418 1.454 -8.025 1.00 0.00 O ATOM 396 CB THR A 26 -2.628 1.041 -7.882 1.00 0.00 C ATOM 397 OG1 THR A 26 -2.164 1.971 -8.871 1.00 0.00 O ATOM 398 CG2 THR A 26 -3.866 1.607 -7.205 1.00 0.00 C ATOM 0 H THR A 26 -0.614 2.355 -6.003 1.00 0.00 H new ATOM 0 HA THR A 26 -1.820 -0.235 -6.402 1.00 0.00 H new ATOM 0 HB THR A 26 -2.913 0.102 -8.356 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.894 2.182 -9.490 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.619 1.837 -7.958 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.265 0.873 -6.505 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.602 2.517 -6.666 1.00 0.00 H new ATOM 406 N SER A 27 0.112 -0.745 -7.925 1.00 0.00 N ATOM 407 CA SER A 27 1.433 -0.960 -8.504 1.00 0.00 C ATOM 408 C SER A 27 1.365 -0.616 -9.976 1.00 0.00 C ATOM 409 O SER A 27 0.281 -0.563 -10.505 1.00 0.00 O ATOM 410 CB SER A 27 1.949 -2.387 -8.236 1.00 0.00 C ATOM 411 OG SER A 27 2.252 -3.093 -9.428 1.00 0.00 O ATOM 0 H SER A 27 -0.458 -1.576 -7.769 1.00 0.00 H new ATOM 0 HA SER A 27 2.163 -0.306 -8.027 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.842 -2.335 -7.613 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.198 -2.940 -7.672 1.00 0.00 H new ATOM 0 HG SER A 27 2.681 -3.945 -9.203 1.00 0.00 H new ATOM 417 N GLU A 28 2.517 -0.406 -10.599 1.00 0.00 N ATOM 418 CA GLU A 28 2.659 0.228 -11.926 1.00 0.00 C ATOM 419 C GLU A 28 1.391 0.266 -12.806 1.00 0.00 C ATOM 420 O GLU A 28 0.909 1.351 -13.134 1.00 0.00 O ATOM 421 CB GLU A 28 3.801 -0.439 -12.680 1.00 0.00 C ATOM 422 CG GLU A 28 5.107 -0.419 -11.902 1.00 0.00 C ATOM 423 CD GLU A 28 6.270 -0.952 -12.704 1.00 0.00 C ATOM 424 OE1 GLU A 28 6.168 -2.079 -13.228 1.00 0.00 O ATOM 425 OE2 GLU A 28 7.289 -0.241 -12.826 1.00 0.00 O ATOM 0 H GLU A 28 3.412 -0.676 -10.192 1.00 0.00 H new ATOM 0 HA GLU A 28 2.867 1.277 -11.718 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.531 -1.471 -12.902 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.944 0.066 -13.636 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.324 0.603 -11.590 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.994 -1.012 -10.995 1.00 0.00 H new ATOM 432 N LYS A 29 0.851 -0.888 -13.193 1.00 0.00 N ATOM 433 CA LYS A 29 -0.235 -0.916 -14.187 1.00 0.00 C ATOM 434 C LYS A 29 -1.626 -0.759 -13.557 1.00 0.00 C ATOM 435 O LYS A 29 -2.640 -0.815 -14.250 1.00 0.00 O ATOM 436 CB LYS A 29 -0.179 -2.218 -14.989 1.00 0.00 C ATOM 437 CG LYS A 29 1.166 -2.456 -15.653 1.00 0.00 C ATOM 438 CD LYS A 29 1.122 -3.642 -16.602 1.00 0.00 C ATOM 439 CE LYS A 29 2.471 -3.869 -17.266 1.00 0.00 C ATOM 440 NZ LYS A 29 3.042 -2.605 -17.805 1.00 0.00 N ATOM 0 H LYS A 29 1.137 -1.803 -12.845 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.080 -0.061 -14.845 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.403 -3.055 -14.327 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.956 -2.200 -15.753 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.465 -1.562 -16.201 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.924 -2.629 -14.889 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.828 -4.538 -16.055 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.363 -3.472 -17.365 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.163 -4.301 -16.544 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.361 -4.592 -18.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.818 -2.827 -18.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.302 -2.078 -18.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.405 -2.026 -17.021 1.00 0.00 H new ATOM 454 N GLY A 30 -1.666 -0.552 -12.255 1.00 0.00 N ATOM 455 CA GLY A 30 -2.923 -0.451 -11.571 1.00 0.00 C ATOM 456 C GLY A 30 -3.147 -1.687 -10.773 1.00 0.00 C ATOM 457 O GLY A 30 -4.282 -2.093 -10.514 1.00 0.00 O ATOM 0 H GLY A 30 -0.843 -0.452 -11.660 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.927 0.423 -10.919 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.732 -0.316 -12.289 1.00 0.00 H new ATOM 461 N ARG A 31 -2.031 -2.295 -10.397 1.00 0.00 N ATOM 462 CA ARG A 31 -2.069 -3.425 -9.525 1.00 0.00 C ATOM 463 C ARG A 31 -2.533 -2.906 -8.178 1.00 0.00 C ATOM 464 O ARG A 31 -2.704 -1.705 -8.033 1.00 0.00 O ATOM 465 CB ARG A 31 -0.660 -4.004 -9.390 1.00 0.00 C ATOM 466 CG ARG A 31 -0.575 -5.510 -9.191 1.00 0.00 C ATOM 467 CD ARG A 31 -0.894 -6.301 -10.450 1.00 0.00 C ATOM 468 NE ARG A 31 -0.617 -7.727 -10.251 1.00 0.00 N ATOM 469 CZ ARG A 31 -0.711 -8.661 -11.196 1.00 0.00 C ATOM 470 NH1 ARG A 31 -1.091 -8.341 -12.424 1.00 0.00 N ATOM 471 NH2 ARG A 31 -0.415 -9.921 -10.898 1.00 0.00 N ATOM 0 H ARG A 31 -1.096 -2.013 -10.690 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.731 -4.204 -9.903 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.094 -3.743 -10.284 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.168 -3.518 -8.548 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.428 -5.769 -8.852 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.265 -5.805 -8.400 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.942 -6.163 -10.716 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.301 -5.923 -11.283 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.331 -8.026 -9.319 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.315 -7.372 -12.653 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.160 -9.063 -13.141 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.119 -10.166 -9.953 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.484 -10.644 -11.614 1.00 0.00 H new ATOM 485 N GLU A 32 -2.710 -3.775 -7.209 1.00 0.00 N ATOM 486 CA GLU A 32 -2.930 -3.340 -5.837 1.00 0.00 C ATOM 487 C GLU A 32 -4.379 -2.949 -5.551 1.00 0.00 C ATOM 488 O GLU A 32 -5.255 -3.772 -5.766 1.00 0.00 O ATOM 489 CB GLU A 32 -1.986 -2.234 -5.467 1.00 0.00 C ATOM 490 CG GLU A 32 -1.920 -1.942 -3.978 1.00 0.00 C ATOM 491 CD GLU A 32 -1.663 -3.172 -3.137 1.00 0.00 C ATOM 492 OE1 GLU A 32 -0.874 -4.029 -3.565 1.00 0.00 O ATOM 493 OE2 GLU A 32 -2.264 -3.283 -2.053 1.00 0.00 O ATOM 0 H GLU A 32 -2.707 -4.787 -7.339 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.721 -4.203 -5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.987 -2.491 -5.820 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.285 -1.326 -5.991 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.131 -1.213 -3.793 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.858 -1.485 -3.663 1.00 0.00 H new ATOM 500 N LEU A 33 -4.604 -1.679 -5.132 1.00 0.00 N ATOM 501 CA LEU A 33 -5.802 -1.250 -4.407 1.00 0.00 C ATOM 502 C LEU A 33 -5.512 -1.203 -2.942 1.00 0.00 C ATOM 503 O LEU A 33 -5.589 -2.200 -2.226 1.00 0.00 O ATOM 504 CB LEU A 33 -7.056 -2.044 -4.728 1.00 0.00 C ATOM 505 CG LEU A 33 -7.721 -1.678 -6.066 1.00 0.00 C ATOM 506 CD1 LEU A 33 -6.997 -0.518 -6.752 1.00 0.00 C ATOM 507 CD2 LEU A 33 -7.748 -2.879 -6.980 1.00 0.00 C ATOM 0 H LEU A 33 -3.942 -0.921 -5.296 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.040 -0.246 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.805 -3.105 -4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.779 -1.896 -3.926 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.742 -1.361 -5.854 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.493 -0.286 -7.694 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.019 0.359 -6.105 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.962 -0.799 -6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.221 -2.607 -7.924 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.729 -3.216 -7.169 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.314 -3.682 -6.508 1.00 0.00 H new ATOM 519 N GLY A 34 -5.120 0.004 -2.542 1.00 0.00 N ATOM 520 CA GLY A 34 -5.095 0.391 -1.128 1.00 0.00 C ATOM 521 C GLY A 34 -5.093 1.909 -0.944 1.00 0.00 C ATOM 522 O GLY A 34 -4.071 2.547 -1.107 1.00 0.00 O ATOM 0 H GLY A 34 -4.813 0.738 -3.180 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.962 -0.033 -0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.210 -0.032 -0.653 1.00 0.00 H new ATOM 526 N MET A 35 -6.226 2.509 -0.603 1.00 0.00 N ATOM 527 CA MET A 35 -6.221 3.955 -0.377 1.00 0.00 C ATOM 528 C MET A 35 -6.438 4.245 1.077 1.00 0.00 C ATOM 529 O MET A 35 -7.400 3.772 1.681 1.00 0.00 O ATOM 530 CB MET A 35 -7.270 4.668 -1.215 1.00 0.00 C ATOM 531 CG MET A 35 -7.188 4.265 -2.662 1.00 0.00 C ATOM 532 SD MET A 35 -8.699 4.613 -3.586 1.00 0.00 S ATOM 533 CE MET A 35 -9.926 3.787 -2.575 1.00 0.00 C ATOM 0 H MET A 35 -7.126 2.045 -0.480 1.00 0.00 H new ATOM 0 HA MET A 35 -5.246 4.333 -0.685 1.00 0.00 H new ATOM 0 HB2 MET A 35 -8.263 4.439 -0.828 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.135 5.746 -1.128 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.355 4.788 -3.131 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.970 3.199 -2.723 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.569 3.177 -3.209 1.00 0.00 H new ATOM 0 HE2 MET A 35 -9.427 3.150 -1.845 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.530 4.531 -2.055 1.00 0.00 H new ATOM 543 N VAL A 36 -5.529 5.005 1.638 1.00 0.00 N ATOM 544 CA VAL A 36 -5.561 5.258 3.071 1.00 0.00 C ATOM 545 C VAL A 36 -6.681 6.217 3.449 1.00 0.00 C ATOM 546 O VAL A 36 -6.941 7.187 2.749 1.00 0.00 O ATOM 547 CB VAL A 36 -4.220 5.814 3.560 1.00 0.00 C ATOM 548 CG1 VAL A 36 -3.769 6.896 2.636 1.00 0.00 C ATOM 549 CG2 VAL A 36 -4.317 6.353 4.974 1.00 0.00 C ATOM 0 H VAL A 36 -4.764 5.457 1.138 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.750 4.301 3.558 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.496 4.999 3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.815 7.294 2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.651 6.491 1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.511 7.694 2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.346 6.738 5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.053 7.156 5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.622 5.553 5.648 1.00 0.00 H new ATOM 559 N ALA A 37 -7.351 5.934 4.550 1.00 0.00 N ATOM 560 CA ALA A 37 -8.305 6.871 5.106 1.00 0.00 C ATOM 561 C ALA A 37 -7.798 7.397 6.442 1.00 0.00 C ATOM 562 O ALA A 37 -8.301 7.018 7.504 1.00 0.00 O ATOM 563 CB ALA A 37 -9.679 6.242 5.251 1.00 0.00 C ATOM 0 H ALA A 37 -7.252 5.065 5.075 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.406 7.709 4.417 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.371 6.972 5.671 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.038 5.923 4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.616 5.379 5.914 1.00 0.00 H new ATOM 569 N ASP A 38 -6.757 8.233 6.362 1.00 0.00 N ATOM 570 CA ASP A 38 -6.132 8.852 7.537 1.00 0.00 C ATOM 571 C ASP A 38 -5.317 7.829 8.336 1.00 0.00 C ATOM 572 O ASP A 38 -5.590 6.630 8.279 1.00 0.00 O ATOM 573 CB ASP A 38 -7.197 9.519 8.420 1.00 0.00 C ATOM 574 CG ASP A 38 -6.616 10.218 9.630 1.00 0.00 C ATOM 575 OD1 ASP A 38 -5.758 11.109 9.453 1.00 0.00 O ATOM 576 OD2 ASP A 38 -7.033 9.897 10.760 1.00 0.00 O ATOM 0 H ASP A 38 -6.323 8.500 5.479 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.442 9.621 7.190 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.754 10.242 7.823 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.909 8.764 8.752 1.00 0.00 H new ATOM 581 N GLU A 39 -4.280 8.313 9.031 1.00 0.00 N ATOM 582 CA GLU A 39 -3.415 7.490 9.894 1.00 0.00 C ATOM 583 C GLU A 39 -2.492 6.559 9.099 1.00 0.00 C ATOM 584 O GLU A 39 -1.413 6.193 9.574 1.00 0.00 O ATOM 585 CB GLU A 39 -4.246 6.683 10.891 1.00 0.00 C ATOM 586 CG GLU A 39 -5.035 7.533 11.873 1.00 0.00 C ATOM 587 CD GLU A 39 -4.178 8.097 12.984 1.00 0.00 C ATOM 588 OE1 GLU A 39 -3.948 7.377 13.979 1.00 0.00 O ATOM 589 OE2 GLU A 39 -3.742 9.261 12.879 1.00 0.00 O ATOM 0 H GLU A 39 -4.013 9.297 9.012 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.777 8.186 10.439 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.938 6.047 10.340 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.583 6.023 11.450 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.510 8.353 11.335 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.834 6.931 12.307 1.00 0.00 H new ATOM 596 N GLY A 40 -2.911 6.168 7.907 1.00 0.00 N ATOM 597 CA GLY A 40 -2.050 5.360 7.067 1.00 0.00 C ATOM 598 C GLY A 40 -2.636 3.987 6.791 1.00 0.00 C ATOM 599 O GLY A 40 -1.941 3.092 6.313 1.00 0.00 O ATOM 0 H GLY A 40 -3.822 6.392 7.507 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.880 5.876 6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.078 5.248 7.548 1.00 0.00 H new ATOM 603 N LEU A 41 -3.918 3.820 7.112 1.00 0.00 N ATOM 604 CA LEU A 41 -4.613 2.592 6.771 1.00 0.00 C ATOM 605 C LEU A 41 -5.270 2.670 5.397 1.00 0.00 C ATOM 606 O LEU A 41 -6.279 3.354 5.216 1.00 0.00 O ATOM 607 CB LEU A 41 -5.672 2.263 7.825 1.00 0.00 C ATOM 608 CG LEU A 41 -6.315 3.451 8.547 1.00 0.00 C ATOM 609 CD1 LEU A 41 -7.774 3.154 8.859 1.00 0.00 C ATOM 610 CD2 LEU A 41 -5.564 3.747 9.838 1.00 0.00 C ATOM 0 H LEU A 41 -4.485 4.512 7.601 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.865 1.800 6.744 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.463 1.688 7.344 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.217 1.615 8.574 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.263 4.322 7.894 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.217 4.007 9.372 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.314 2.968 7.931 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.837 2.273 9.498 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.029 4.593 10.344 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.598 2.872 10.488 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.526 3.988 9.608 1.00 0.00 H new ATOM 622 N ALA A 42 -4.692 1.965 4.439 1.00 0.00 N ATOM 623 CA ALA A 42 -5.268 1.864 3.104 1.00 0.00 C ATOM 624 C ALA A 42 -6.097 0.601 2.979 1.00 0.00 C ATOM 625 O ALA A 42 -5.582 -0.482 2.690 1.00 0.00 O ATOM 626 CB ALA A 42 -4.195 1.912 2.026 1.00 0.00 C ATOM 0 H ALA A 42 -3.819 1.451 4.560 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.919 2.726 2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.662 1.834 1.044 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.651 2.854 2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.502 1.082 2.165 1.00 0.00 H new ATOM 632 N TRP A 43 -7.381 0.743 3.256 1.00 0.00 N ATOM 633 CA TRP A 43 -8.301 -0.379 3.225 1.00 0.00 C ATOM 634 C TRP A 43 -8.766 -0.614 1.792 1.00 0.00 C ATOM 635 O TRP A 43 -9.517 0.205 1.254 1.00 0.00 O ATOM 636 CB TRP A 43 -9.500 -0.078 4.057 1.00 0.00 C ATOM 637 CG TRP A 43 -9.233 -0.192 5.499 1.00 0.00 C ATOM 638 CD1 TRP A 43 -10.144 -0.079 6.496 1.00 0.00 C ATOM 639 CD2 TRP A 43 -7.979 -0.490 6.117 1.00 0.00 C ATOM 640 NE1 TRP A 43 -9.534 -0.281 7.695 1.00 0.00 N ATOM 641 CE2 TRP A 43 -8.216 -0.539 7.474 1.00 0.00 C ATOM 642 CE3 TRP A 43 -6.675 -0.724 5.662 1.00 0.00 C ATOM 643 CZ2 TRP A 43 -7.235 -0.805 8.364 1.00 0.00 C ATOM 644 CZ3 TRP A 43 -5.684 -0.986 6.574 1.00 0.00 C ATOM 645 CH2 TRP A 43 -5.974 -1.033 7.922 1.00 0.00 C ATOM 0 H TRP A 43 -7.813 1.633 3.507 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.790 -1.261 3.612 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.848 0.931 3.835 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -10.306 -0.760 3.786 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -11.193 0.138 6.360 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.989 -0.245 8.607 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.452 -0.698 4.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -7.454 -0.836 9.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.673 -1.156 6.235 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -5.190 -1.253 8.631 1.00 0.00 H new ATOM 656 N LEU A 44 -8.356 -1.700 1.184 1.00 0.00 N ATOM 657 CA LEU A 44 -8.525 -1.887 -0.255 1.00 0.00 C ATOM 658 C LEU A 44 -8.248 -3.325 -0.613 1.00 0.00 C ATOM 659 O LEU A 44 -8.176 -4.172 0.259 1.00 0.00 O ATOM 660 CB LEU A 44 -7.726 -0.897 -1.065 1.00 0.00 C ATOM 661 CG LEU A 44 -8.522 0.325 -1.570 1.00 0.00 C ATOM 662 CD1 LEU A 44 -7.847 1.016 -2.735 1.00 0.00 C ATOM 663 CD2 LEU A 44 -9.884 -0.083 -2.018 1.00 0.00 C ATOM 0 H LEU A 44 -7.899 -2.479 1.658 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.561 -1.675 -0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.892 -0.543 -0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.299 -1.414 -1.924 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.577 1.015 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.449 1.868 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.859 1.362 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.746 0.316 -3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.429 0.793 -2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.799 -0.807 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.422 -0.533 -1.184 1.00 0.00 H new ATOM 675 N SER A 45 -8.158 -3.615 -1.876 1.00 0.00 N ATOM 676 CA SER A 45 -8.154 -4.974 -2.243 1.00 0.00 C ATOM 677 C SER A 45 -6.934 -5.112 -3.102 1.00 0.00 C ATOM 678 O SER A 45 -7.017 -5.145 -4.324 1.00 0.00 O ATOM 679 CB SER A 45 -9.421 -5.342 -3.021 1.00 0.00 C ATOM 680 OG SER A 45 -9.635 -4.447 -4.104 1.00 0.00 O ATOM 0 H SER A 45 -8.089 -2.943 -2.640 1.00 0.00 H new ATOM 0 HA SER A 45 -8.137 -5.640 -1.380 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.336 -6.361 -3.399 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.281 -5.320 -2.352 1.00 0.00 H new ATOM 0 HG SER A 45 -8.777 -4.237 -4.529 1.00 0.00 H new ATOM 686 N GLY A 46 -5.813 -5.202 -2.438 1.00 0.00 N ATOM 687 CA GLY A 46 -4.536 -4.948 -3.100 1.00 0.00 C ATOM 688 C GLY A 46 -3.955 -6.161 -3.767 1.00 0.00 C ATOM 689 O GLY A 46 -4.691 -7.037 -4.217 1.00 0.00 O ATOM 0 H GLY A 46 -5.744 -5.446 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.672 -4.164 -3.845 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.824 -4.571 -2.366 1.00 0.00 H new ATOM 693 N VAL A 47 -2.634 -6.219 -3.849 1.00 0.00 N ATOM 694 CA VAL A 47 -1.994 -7.403 -4.366 1.00 0.00 C ATOM 695 C VAL A 47 -1.043 -8.020 -3.366 1.00 0.00 C ATOM 696 O VAL A 47 -0.827 -7.493 -2.272 1.00 0.00 O ATOM 697 CB VAL A 47 -1.285 -7.190 -5.720 1.00 0.00 C ATOM 698 CG1 VAL A 47 -2.317 -6.986 -6.814 1.00 0.00 C ATOM 699 CG2 VAL A 47 -0.305 -6.027 -5.670 1.00 0.00 C ATOM 0 H VAL A 47 -2.000 -5.471 -3.568 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.811 -8.101 -4.547 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.703 -8.084 -5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.811 -6.836 -7.768 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.958 -7.865 -6.878 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.924 -6.110 -6.583 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.172 -5.911 -6.643 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.840 -5.111 -5.417 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.455 -6.224 -4.914 1.00 0.00 H new ATOM 709 N THR A 48 -0.515 -9.167 -3.743 1.00 0.00 N ATOM 710 CA THR A 48 0.342 -9.936 -2.876 1.00 0.00 C ATOM 711 C THR A 48 1.747 -9.337 -2.836 1.00 0.00 C ATOM 712 O THR A 48 2.273 -8.881 -3.854 1.00 0.00 O ATOM 713 CB THR A 48 0.382 -11.416 -3.329 1.00 0.00 C ATOM 714 OG1 THR A 48 1.143 -12.212 -2.408 1.00 0.00 O ATOM 715 CG2 THR A 48 0.961 -11.547 -4.732 1.00 0.00 C ATOM 0 H THR A 48 -0.670 -9.588 -4.659 1.00 0.00 H new ATOM 0 HA THR A 48 -0.066 -9.901 -1.866 1.00 0.00 H new ATOM 0 HB THR A 48 -0.645 -11.782 -3.344 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.154 -13.144 -2.712 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.976 -12.597 -5.023 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.345 -10.985 -5.434 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.977 -11.152 -4.745 1.00 0.00 H new ATOM 723 N PRO A 49 2.343 -9.308 -1.634 1.00 0.00 N ATOM 724 CA PRO A 49 3.679 -8.745 -1.394 1.00 0.00 C ATOM 725 C PRO A 49 4.752 -9.237 -2.372 1.00 0.00 C ATOM 726 O PRO A 49 4.674 -10.344 -2.907 1.00 0.00 O ATOM 727 CB PRO A 49 3.989 -9.220 0.023 1.00 0.00 C ATOM 728 CG PRO A 49 2.662 -9.315 0.678 1.00 0.00 C ATOM 729 CD PRO A 49 1.731 -9.808 -0.388 1.00 0.00 C ATOM 0 HA PRO A 49 3.685 -7.663 -1.529 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.499 -10.183 0.017 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.640 -8.518 0.544 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.689 -10.001 1.525 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.343 -8.346 1.062 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.657 -10.895 -0.385 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.722 -9.419 -0.252 1.00 0.00 H new ATOM 737 N GLY A 50 5.769 -8.406 -2.571 1.00 0.00 N ATOM 738 CA GLY A 50 6.840 -8.728 -3.491 1.00 0.00 C ATOM 739 C GLY A 50 6.956 -7.717 -4.618 1.00 0.00 C ATOM 740 O GLY A 50 7.448 -8.047 -5.696 1.00 0.00 O ATOM 0 H GLY A 50 5.869 -7.505 -2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.783 -8.771 -2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 50 6.669 -9.719 -3.911 1.00 0.00 H new ATOM 744 N GLU A 51 6.528 -6.476 -4.373 1.00 0.00 N ATOM 745 CA GLU A 51 6.471 -5.497 -5.459 1.00 0.00 C ATOM 746 C GLU A 51 6.837 -4.106 -5.015 1.00 0.00 C ATOM 747 O GLU A 51 7.349 -3.891 -3.921 1.00 0.00 O ATOM 748 CB GLU A 51 5.073 -5.401 -6.062 1.00 0.00 C ATOM 749 CG GLU A 51 4.556 -6.694 -6.631 1.00 0.00 C ATOM 750 CD GLU A 51 3.427 -6.499 -7.633 1.00 0.00 C ATOM 751 OE1 GLU A 51 3.492 -5.540 -8.437 1.00 0.00 O ATOM 752 OE2 GLU A 51 2.490 -7.325 -7.649 1.00 0.00 O ATOM 0 H GLU A 51 6.225 -6.133 -3.462 1.00 0.00 H new ATOM 0 HA GLU A 51 7.194 -5.859 -6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.382 -5.053 -5.295 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.080 -4.648 -6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.376 -7.224 -7.116 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.205 -7.327 -5.816 1.00 0.00 H new ATOM 759 N THR A 52 6.564 -3.166 -5.906 1.00 0.00 N ATOM 760 CA THR A 52 6.601 -1.771 -5.570 1.00 0.00 C ATOM 761 C THR A 52 5.281 -1.108 -5.956 1.00 0.00 C ATOM 762 O THR A 52 4.864 -1.148 -7.116 1.00 0.00 O ATOM 763 CB THR A 52 7.779 -1.043 -6.243 1.00 0.00 C ATOM 764 OG1 THR A 52 7.847 -1.404 -7.630 1.00 0.00 O ATOM 765 CG2 THR A 52 9.097 -1.375 -5.557 1.00 0.00 C ATOM 0 H THR A 52 6.313 -3.358 -6.876 1.00 0.00 H new ATOM 0 HA THR A 52 6.747 -1.695 -4.492 1.00 0.00 H new ATOM 0 HB THR A 52 7.610 0.030 -6.153 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.945 -1.401 -8.013 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.910 -0.846 -6.055 1.00 0.00 H new ATOM 0 HG22 THR A 52 9.051 -1.068 -4.512 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.276 -2.449 -5.612 1.00 0.00 H new ATOM 773 N LEU A 53 4.635 -0.512 -4.971 1.00 0.00 N ATOM 774 CA LEU A 53 3.301 0.044 -5.128 1.00 0.00 C ATOM 775 C LEU A 53 3.330 1.510 -5.488 1.00 0.00 C ATOM 776 O LEU A 53 3.851 2.313 -4.736 1.00 0.00 O ATOM 777 CB LEU A 53 2.530 -0.142 -3.824 1.00 0.00 C ATOM 778 CG LEU A 53 1.988 -1.543 -3.658 1.00 0.00 C ATOM 779 CD1 LEU A 53 1.136 -1.700 -2.408 1.00 0.00 C ATOM 780 CD2 LEU A 53 1.194 -1.846 -4.888 1.00 0.00 C ATOM 0 H LEU A 53 5.022 -0.399 -4.034 1.00 0.00 H new ATOM 0 HA LEU A 53 2.813 -0.484 -5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.184 0.091 -2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.704 0.568 -3.791 1.00 0.00 H new ATOM 0 HG LEU A 53 2.814 -2.243 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.774 -2.726 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.735 -1.468 -1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.287 -1.018 -2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.780 -2.852 -4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.382 -1.125 -4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.840 -1.782 -5.763 1.00 0.00 H new ATOM 792 N SER A 54 2.750 1.859 -6.622 1.00 0.00 N ATOM 793 CA SER A 54 2.676 3.252 -7.013 1.00 0.00 C ATOM 794 C SER A 54 1.582 3.963 -6.245 1.00 0.00 C ATOM 795 O SER A 54 0.395 3.734 -6.456 1.00 0.00 O ATOM 796 CB SER A 54 2.485 3.383 -8.523 1.00 0.00 C ATOM 797 OG SER A 54 3.430 2.594 -9.223 1.00 0.00 O ATOM 0 H SER A 54 2.328 1.204 -7.281 1.00 0.00 H new ATOM 0 HA SER A 54 3.621 3.734 -6.762 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.475 3.074 -8.794 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.588 4.427 -8.817 1.00 0.00 H new ATOM 0 HG SER A 54 4.331 2.797 -8.896 1.00 0.00 H new ATOM 803 N VAL A 55 2.002 4.830 -5.342 1.00 0.00 N ATOM 804 CA VAL A 55 1.109 5.380 -4.357 1.00 0.00 C ATOM 805 C VAL A 55 0.958 6.902 -4.519 1.00 0.00 C ATOM 806 O VAL A 55 1.921 7.672 -4.396 1.00 0.00 O ATOM 807 CB VAL A 55 1.610 4.997 -2.951 1.00 0.00 C ATOM 808 CG1 VAL A 55 0.697 5.529 -1.859 1.00 0.00 C ATOM 809 CG2 VAL A 55 1.793 3.491 -2.841 1.00 0.00 C ATOM 0 H VAL A 55 2.963 5.166 -5.276 1.00 0.00 H new ATOM 0 HA VAL A 55 0.114 4.959 -4.501 1.00 0.00 H new ATOM 0 HB VAL A 55 2.582 5.469 -2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.087 5.236 -0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.652 6.616 -1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.304 5.116 -1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.147 3.240 -1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.840 2.994 -3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.523 3.158 -3.579 1.00 0.00 H new ATOM 819 N ASN A 56 -0.272 7.304 -4.824 1.00 0.00 N ATOM 820 CA ASN A 56 -0.625 8.703 -5.088 1.00 0.00 C ATOM 821 C ASN A 56 -1.250 9.343 -3.860 1.00 0.00 C ATOM 822 O ASN A 56 -1.775 8.636 -3.021 1.00 0.00 O ATOM 823 CB ASN A 56 -1.699 8.775 -6.189 1.00 0.00 C ATOM 824 CG ASN A 56 -1.235 8.405 -7.578 1.00 0.00 C ATOM 825 OD1 ASN A 56 -0.811 9.259 -8.353 1.00 0.00 O ATOM 826 ND2 ASN A 56 -1.346 7.129 -7.915 1.00 0.00 N ATOM 0 H ASN A 56 -1.063 6.664 -4.897 1.00 0.00 H new ATOM 0 HA ASN A 56 0.292 9.216 -5.377 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.522 8.116 -5.913 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.098 9.789 -6.217 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.074 6.823 -8.849 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.703 6.453 -7.240 1.00 0.00 H new ATOM 833 N TRP A 57 -1.208 10.674 -3.761 1.00 0.00 N ATOM 834 CA TRP A 57 -2.141 11.365 -2.873 1.00 0.00 C ATOM 835 C TRP A 57 -2.260 12.865 -3.218 1.00 0.00 C ATOM 836 O TRP A 57 -2.302 13.208 -4.391 1.00 0.00 O ATOM 837 CB TRP A 57 -1.846 11.052 -1.391 1.00 0.00 C ATOM 838 CG TRP A 57 -0.804 11.860 -0.672 1.00 0.00 C ATOM 839 CD1 TRP A 57 -0.990 13.090 -0.137 1.00 0.00 C ATOM 840 CD2 TRP A 57 0.522 11.472 -0.301 1.00 0.00 C ATOM 841 NE1 TRP A 57 0.147 13.544 0.444 1.00 0.00 N ATOM 842 CE2 TRP A 57 1.081 12.565 0.384 1.00 0.00 C ATOM 843 CE3 TRP A 57 1.311 10.335 -0.487 1.00 0.00 C ATOM 844 CZ2 TRP A 57 2.360 12.560 0.869 1.00 0.00 C ATOM 845 CZ3 TRP A 57 2.598 10.340 0.025 1.00 0.00 C ATOM 846 CH2 TRP A 57 3.107 11.445 0.691 1.00 0.00 C ATOM 0 H TRP A 57 -0.560 11.277 -4.267 1.00 0.00 H new ATOM 0 HA TRP A 57 -3.143 10.971 -3.045 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.781 11.155 -0.840 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -1.552 10.004 -1.328 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.921 13.637 -0.169 1.00 0.00 H new ATOM 0 HE1 TRP A 57 0.277 14.467 0.857 1.00 0.00 H new ATOM 0 HE3 TRP A 57 0.928 9.475 -1.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 2.763 13.422 1.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 3.219 9.465 -0.097 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.116 11.415 1.074 1.00 0.00 H new ATOM 857 N ASP A 58 -2.425 13.738 -2.228 1.00 0.00 N ATOM 858 CA ASP A 58 -2.250 15.183 -2.432 1.00 0.00 C ATOM 859 C ASP A 58 -1.041 15.469 -3.309 1.00 0.00 C ATOM 860 O ASP A 58 -1.165 16.137 -4.333 1.00 0.00 O ATOM 861 CB ASP A 58 -2.056 15.921 -1.104 1.00 0.00 C ATOM 862 CG ASP A 58 -3.357 16.300 -0.430 1.00 0.00 C ATOM 863 OD1 ASP A 58 -4.005 15.423 0.177 1.00 0.00 O ATOM 864 OD2 ASP A 58 -3.732 17.487 -0.495 1.00 0.00 O ATOM 0 H ASP A 58 -2.679 13.476 -1.276 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.159 15.538 -2.918 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.476 15.292 -0.429 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.471 16.823 -1.281 1.00 0.00 H new ATOM 869 N GLY A 59 0.135 14.958 -2.920 1.00 0.00 N ATOM 870 CA GLY A 59 1.294 15.127 -3.782 1.00 0.00 C ATOM 871 C GLY A 59 1.293 14.106 -4.904 1.00 0.00 C ATOM 872 O GLY A 59 2.221 14.043 -5.711 1.00 0.00 O ATOM 0 H GLY A 59 0.299 14.447 -2.052 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.296 16.133 -4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.206 15.025 -3.194 1.00 0.00 H new ATOM 876 N LYS A 60 0.235 13.302 -4.916 1.00 0.00 N ATOM 877 CA LYS A 60 -0.018 12.317 -5.955 1.00 0.00 C ATOM 878 C LYS A 60 0.995 11.217 -5.935 1.00 0.00 C ATOM 879 O LYS A 60 1.444 10.846 -4.863 1.00 0.00 O ATOM 880 CB LYS A 60 -0.184 13.011 -7.287 1.00 0.00 C ATOM 881 CG LYS A 60 -1.385 13.932 -7.212 1.00 0.00 C ATOM 882 CD LYS A 60 -2.202 13.912 -8.496 1.00 0.00 C ATOM 883 CE LYS A 60 -2.736 12.520 -8.804 1.00 0.00 C ATOM 884 NZ LYS A 60 -3.448 12.476 -10.105 1.00 0.00 N ATOM 0 H LYS A 60 -0.482 13.319 -4.190 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.961 11.807 -5.760 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.713 13.580 -7.530 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.321 12.277 -8.081 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.018 13.635 -6.376 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.049 14.950 -7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.035 14.610 -8.408 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.584 14.256 -9.325 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.910 11.809 -8.818 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.413 12.207 -8.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.796 11.511 -10.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.252 13.136 -10.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.796 12.750 -10.867 1.00 0.00 H new ATOM 898 N ILE A 61 1.258 10.612 -7.062 1.00 0.00 N ATOM 899 CA ILE A 61 2.187 9.497 -7.066 1.00 0.00 C ATOM 900 C ILE A 61 3.559 10.006 -6.657 1.00 0.00 C ATOM 901 O ILE A 61 4.217 10.785 -7.356 1.00 0.00 O ATOM 902 CB ILE A 61 2.188 8.701 -8.408 1.00 0.00 C ATOM 903 CG1 ILE A 61 1.817 7.232 -8.150 1.00 0.00 C ATOM 904 CG2 ILE A 61 3.527 8.760 -9.131 1.00 0.00 C ATOM 905 CD1 ILE A 61 1.518 6.478 -9.426 1.00 0.00 C ATOM 0 H ILE A 61 0.859 10.857 -7.968 1.00 0.00 H new ATOM 0 HA ILE A 61 1.859 8.759 -6.334 1.00 0.00 H new ATOM 0 HB ILE A 61 1.447 9.174 -9.052 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.636 6.741 -7.625 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.947 7.190 -7.495 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.466 8.188 -10.057 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.771 9.797 -9.360 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.304 8.337 -8.494 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.262 5.446 -9.187 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.681 6.950 -9.940 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.396 6.494 -10.072 1.00 0.00 H new ATOM 917 N GLN A 62 3.916 9.648 -5.449 1.00 0.00 N ATOM 918 CA GLN A 62 5.139 10.137 -4.851 1.00 0.00 C ATOM 919 C GLN A 62 5.763 9.109 -3.945 1.00 0.00 C ATOM 920 O GLN A 62 6.981 8.938 -3.912 1.00 0.00 O ATOM 921 CB GLN A 62 4.912 11.451 -4.110 1.00 0.00 C ATOM 922 CG GLN A 62 3.593 11.641 -3.385 1.00 0.00 C ATOM 923 CD GLN A 62 3.733 12.682 -2.294 1.00 0.00 C ATOM 924 OE1 GLN A 62 2.664 13.396 -2.019 1.00 0.00 O flip ATOM 925 NE2 GLN A 62 4.802 12.847 -1.709 1.00 0.00 N flip ATOM 0 H GLN A 62 3.377 9.017 -4.856 1.00 0.00 H new ATOM 0 HA GLN A 62 5.839 10.329 -5.664 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.714 11.566 -3.380 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.017 12.263 -4.830 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.823 11.949 -4.093 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.269 10.694 -2.953 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.610 12.273 -1.951 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.881 13.558 -0.982 1.00 0.00 H new ATOM 934 N CYS A 63 4.922 8.430 -3.229 1.00 0.00 N ATOM 935 CA CYS A 63 5.347 7.337 -2.405 1.00 0.00 C ATOM 936 C CYS A 63 5.130 6.052 -3.164 1.00 0.00 C ATOM 937 O CYS A 63 4.117 5.891 -3.834 1.00 0.00 O ATOM 938 CB CYS A 63 4.535 7.350 -1.132 1.00 0.00 C ATOM 939 SG CYS A 63 5.455 6.725 0.282 1.00 0.00 S ATOM 0 H CYS A 63 3.920 8.617 -3.198 1.00 0.00 H new ATOM 0 HA CYS A 63 6.403 7.424 -2.151 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.206 8.369 -0.925 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.637 6.748 -1.272 1.00 0.00 H new ATOM 944 N GLN A 64 6.103 5.173 -3.139 1.00 0.00 N ATOM 945 CA GLN A 64 5.865 3.857 -3.653 1.00 0.00 C ATOM 946 C GLN A 64 6.238 2.883 -2.609 1.00 0.00 C ATOM 947 O GLN A 64 7.242 3.057 -1.917 1.00 0.00 O ATOM 948 CB GLN A 64 6.612 3.583 -4.939 1.00 0.00 C ATOM 949 CG GLN A 64 6.153 4.497 -6.029 1.00 0.00 C ATOM 950 CD GLN A 64 6.738 4.150 -7.389 1.00 0.00 C ATOM 951 OE1 GLN A 64 6.041 3.307 -8.138 1.00 0.00 O flip ATOM 952 NE2 GLN A 64 7.802 4.631 -7.764 1.00 0.00 N flip ATOM 0 H GLN A 64 7.041 5.343 -2.777 1.00 0.00 H new ATOM 0 HA GLN A 64 4.808 3.767 -3.903 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.682 3.713 -4.777 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.458 2.547 -5.240 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.065 4.462 -6.089 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.426 5.521 -5.774 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.311 5.277 -7.160 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.178 4.385 -8.680 1.00 0.00 H new ATOM 961 N VAL A 65 5.433 1.880 -2.445 1.00 0.00 N ATOM 962 CA VAL A 65 5.682 1.066 -1.323 1.00 0.00 C ATOM 963 C VAL A 65 6.487 -0.158 -1.731 1.00 0.00 C ATOM 964 O VAL A 65 6.163 -0.825 -2.713 1.00 0.00 O ATOM 965 CB VAL A 65 4.376 0.678 -0.572 1.00 0.00 C ATOM 966 CG1 VAL A 65 3.974 -0.768 -0.817 1.00 0.00 C ATOM 967 CG2 VAL A 65 4.509 0.930 0.911 1.00 0.00 C ATOM 0 H VAL A 65 4.646 1.623 -3.040 1.00 0.00 H new ATOM 0 HA VAL A 65 6.274 1.645 -0.615 1.00 0.00 H new ATOM 0 HB VAL A 65 3.587 1.314 -0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.057 -0.988 -0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.808 -0.924 -1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.769 -1.430 -0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.582 0.650 1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.331 0.335 1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.710 1.987 1.084 1.00 0.00 H new ATOM 977 N ASN A 66 7.560 -0.430 -1.022 1.00 0.00 N ATOM 978 CA ASN A 66 8.340 -1.612 -1.342 1.00 0.00 C ATOM 979 C ASN A 66 7.809 -2.791 -0.555 1.00 0.00 C ATOM 980 O ASN A 66 8.116 -2.955 0.626 1.00 0.00 O ATOM 981 CB ASN A 66 9.825 -1.404 -1.044 1.00 0.00 C ATOM 982 CG ASN A 66 10.662 -2.600 -1.455 1.00 0.00 C ATOM 983 OD1 ASN A 66 10.333 -3.305 -2.411 1.00 0.00 O ATOM 984 ND2 ASN A 66 11.744 -2.847 -0.734 1.00 0.00 N ATOM 0 H ASN A 66 7.907 0.129 -0.243 1.00 0.00 H new ATOM 0 HA ASN A 66 8.245 -1.808 -2.410 1.00 0.00 H new ATOM 0 HB2 ASN A 66 10.179 -0.517 -1.569 1.00 0.00 H new ATOM 0 HB3 ASN A 66 9.958 -1.218 0.022 1.00 0.00 H new ATOM 0 HD21 ASN A 66 12.338 -3.644 -0.963 1.00 0.00 H new ATOM 0 HD22 ASN A 66 11.984 -2.240 0.050 1.00 0.00 H new ATOM 991 N VAL A 67 6.989 -3.593 -1.202 1.00 0.00 N ATOM 992 CA VAL A 67 6.382 -4.705 -0.517 1.00 0.00 C ATOM 993 C VAL A 67 7.234 -5.961 -0.676 1.00 0.00 C ATOM 994 O VAL A 67 7.479 -6.420 -1.779 1.00 0.00 O ATOM 995 CB VAL A 67 4.899 -4.895 -0.947 1.00 0.00 C ATOM 996 CG1 VAL A 67 4.739 -5.463 -2.337 1.00 0.00 C ATOM 997 CG2 VAL A 67 4.140 -5.724 0.074 1.00 0.00 C ATOM 0 H VAL A 67 6.733 -3.496 -2.185 1.00 0.00 H new ATOM 0 HA VAL A 67 6.349 -4.489 0.551 1.00 0.00 H new ATOM 0 HB VAL A 67 4.465 -3.896 -0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.679 -5.568 -2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.203 -4.792 -3.060 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.219 -6.440 -2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.106 -5.842 -0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.606 -6.705 0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.162 -5.220 1.040 1.00 0.00 H new ATOM 1007 N PRO A 68 7.771 -6.478 0.444 1.00 0.00 N ATOM 1008 CA PRO A 68 8.634 -7.658 0.451 1.00 0.00 C ATOM 1009 C PRO A 68 7.822 -8.945 0.431 1.00 0.00 C ATOM 1010 O PRO A 68 6.703 -8.982 0.930 1.00 0.00 O ATOM 1011 CB PRO A 68 9.409 -7.539 1.776 1.00 0.00 C ATOM 1012 CG PRO A 68 8.908 -6.296 2.447 1.00 0.00 C ATOM 1013 CD PRO A 68 7.598 -5.950 1.799 1.00 0.00 C ATOM 0 HA PRO A 68 9.280 -7.698 -0.426 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.242 -8.414 2.404 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.482 -7.477 1.595 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.779 -6.460 3.517 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.623 -5.481 2.333 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.756 -6.414 2.312 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.417 -4.875 1.797 1.00 0.00 H new ATOM 1021 N GLU A 69 8.404 -10.007 -0.110 1.00 0.00 N ATOM 1022 CA GLU A 69 7.697 -11.277 -0.301 1.00 0.00 C ATOM 1023 C GLU A 69 7.541 -12.048 1.016 1.00 0.00 C ATOM 1024 O GLU A 69 7.166 -13.219 1.020 1.00 0.00 O ATOM 1025 CB GLU A 69 8.465 -12.121 -1.319 1.00 0.00 C ATOM 1026 CG GLU A 69 8.659 -11.416 -2.652 1.00 0.00 C ATOM 1027 CD GLU A 69 9.809 -11.985 -3.457 1.00 0.00 C ATOM 1028 OE1 GLU A 69 10.971 -11.647 -3.146 1.00 0.00 O ATOM 1029 OE2 GLU A 69 9.560 -12.762 -4.402 1.00 0.00 O ATOM 0 H GLU A 69 9.373 -10.018 -0.429 1.00 0.00 H new ATOM 0 HA GLU A 69 6.693 -11.063 -0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.440 -12.380 -0.906 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.930 -13.056 -1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.741 -11.492 -3.235 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.836 -10.355 -2.474 1.00 0.00 H new ATOM 1036 N THR A 70 7.795 -11.370 2.127 1.00 0.00 N ATOM 1037 CA THR A 70 7.778 -12.001 3.438 1.00 0.00 C ATOM 1038 C THR A 70 6.353 -12.304 3.910 1.00 0.00 C ATOM 1039 O THR A 70 6.081 -13.376 4.445 1.00 0.00 O ATOM 1040 CB THR A 70 8.465 -11.091 4.473 1.00 0.00 C ATOM 1041 OG1 THR A 70 9.655 -10.526 3.903 1.00 0.00 O ATOM 1042 CG2 THR A 70 8.822 -11.870 5.731 1.00 0.00 C ATOM 0 H THR A 70 8.017 -10.375 2.145 1.00 0.00 H new ATOM 0 HA THR A 70 8.317 -12.944 3.348 1.00 0.00 H new ATOM 0 HB THR A 70 7.772 -10.295 4.745 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.090 -9.946 4.562 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.306 -11.205 6.446 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.915 -12.281 6.174 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.501 -12.683 5.475 1.00 0.00 H new ATOM 1050 N ALA A 71 5.445 -11.362 3.698 1.00 0.00 N ATOM 1051 CA ALA A 71 4.097 -11.497 4.243 1.00 0.00 C ATOM 1052 C ALA A 71 3.089 -11.888 3.170 1.00 0.00 C ATOM 1053 O ALA A 71 3.460 -12.177 2.028 1.00 0.00 O ATOM 1054 CB ALA A 71 3.685 -10.203 4.926 1.00 0.00 C ATOM 0 H ALA A 71 5.610 -10.510 3.163 1.00 0.00 H new ATOM 0 HA ALA A 71 4.108 -12.301 4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.679 -10.310 5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.380 -9.982 5.736 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.700 -9.388 4.202 1.00 0.00 H new ATOM 1060 N ILE A 72 1.815 -11.896 3.543 1.00 0.00 N ATOM 1061 CA ILE A 72 0.769 -12.324 2.640 1.00 0.00 C ATOM 1062 C ILE A 72 -0.469 -11.439 2.802 1.00 0.00 C ATOM 1063 O ILE A 72 -0.673 -10.828 3.849 1.00 0.00 O ATOM 1064 CB ILE A 72 0.410 -13.810 2.883 1.00 0.00 C ATOM 1065 CG1 ILE A 72 -0.472 -14.358 1.755 1.00 0.00 C ATOM 1066 CG2 ILE A 72 -0.284 -13.984 4.228 1.00 0.00 C ATOM 1067 CD1 ILE A 72 -0.830 -15.821 1.919 1.00 0.00 C ATOM 0 H ILE A 72 1.487 -11.610 4.466 1.00 0.00 H new ATOM 0 HA ILE A 72 1.135 -12.225 1.618 1.00 0.00 H new ATOM 0 HB ILE A 72 1.340 -14.378 2.894 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.390 -13.772 1.706 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.044 -14.223 0.804 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.527 -15.036 4.378 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.378 -13.647 5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.200 -13.394 4.244 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.455 -16.138 1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.081 -16.419 1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.374 -15.960 2.853 1.00 0.00 H new ATOM 1079 N SER A 73 -1.274 -11.376 1.756 1.00 0.00 N ATOM 1080 CA SER A 73 -2.445 -10.509 1.727 1.00 0.00 C ATOM 1081 C SER A 73 -3.656 -11.199 2.385 1.00 0.00 C ATOM 1082 O SER A 73 -3.475 -12.210 3.066 1.00 0.00 O ATOM 1083 CB SER A 73 -2.715 -10.157 0.268 1.00 0.00 C ATOM 1084 OG SER A 73 -3.891 -9.405 0.108 1.00 0.00 O ATOM 0 H SER A 73 -1.138 -11.921 0.905 1.00 0.00 H new ATOM 0 HA SER A 73 -2.266 -9.598 2.299 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.870 -9.595 -0.130 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.791 -11.074 -0.316 1.00 0.00 H new ATOM 0 HG SER A 73 -4.423 -9.782 -0.623 1.00 0.00 H new ATOM 1090 N ASP A 74 -4.882 -10.645 2.191 1.00 0.00 N ATOM 1091 CA ASP A 74 -6.107 -11.197 2.785 1.00 0.00 C ATOM 1092 C ASP A 74 -6.174 -10.852 4.272 1.00 0.00 C ATOM 1093 O ASP A 74 -7.033 -11.334 5.010 1.00 0.00 O ATOM 1094 CB ASP A 74 -6.196 -12.715 2.550 1.00 0.00 C ATOM 1095 CG ASP A 74 -7.491 -13.327 3.047 1.00 0.00 C ATOM 1096 OD1 ASP A 74 -8.567 -12.934 2.557 1.00 0.00 O ATOM 1097 OD2 ASP A 74 -7.431 -14.224 3.916 1.00 0.00 O ATOM 0 H ASP A 74 -5.038 -9.812 1.623 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.969 -10.744 2.295 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.093 -12.917 1.484 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -5.358 -13.202 3.049 1.00 0.00 H new ATOM 1102 N GLN A 75 -5.272 -9.976 4.695 1.00 0.00 N ATOM 1103 CA GLN A 75 -5.223 -9.528 6.077 1.00 0.00 C ATOM 1104 C GLN A 75 -4.610 -8.134 6.156 1.00 0.00 C ATOM 1105 O GLN A 75 -4.389 -7.483 5.127 1.00 0.00 O ATOM 1106 CB GLN A 75 -4.412 -10.509 6.930 1.00 0.00 C ATOM 1107 CG GLN A 75 -2.941 -10.595 6.546 1.00 0.00 C ATOM 1108 CD GLN A 75 -2.155 -11.538 7.440 1.00 0.00 C ATOM 1109 OE1 GLN A 75 -2.677 -12.541 7.932 1.00 0.00 O ATOM 1110 NE2 GLN A 75 -0.895 -11.212 7.672 1.00 0.00 N ATOM 0 H GLN A 75 -4.560 -9.560 4.094 1.00 0.00 H new ATOM 0 HA GLN A 75 -6.241 -9.489 6.465 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -4.487 -10.213 7.976 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -4.857 -11.501 6.847 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -2.859 -10.929 5.512 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.498 -9.600 6.596 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.498 -10.374 7.247 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -0.319 -11.798 8.276 1.00 0.00 H new ATOM 1119 N GLN A 76 -4.354 -7.672 7.373 1.00 0.00 N ATOM 1120 CA GLN A 76 -3.698 -6.390 7.567 1.00 0.00 C ATOM 1121 C GLN A 76 -2.184 -6.569 7.518 1.00 0.00 C ATOM 1122 O GLN A 76 -1.657 -7.563 8.023 1.00 0.00 O ATOM 1123 CB GLN A 76 -4.122 -5.764 8.900 1.00 0.00 C ATOM 1124 CG GLN A 76 -3.769 -6.606 10.115 1.00 0.00 C ATOM 1125 CD GLN A 76 -4.291 -6.012 11.409 1.00 0.00 C ATOM 1126 OE1 GLN A 76 -5.325 -5.341 11.430 1.00 0.00 O ATOM 1127 NE2 GLN A 76 -3.584 -6.258 12.499 1.00 0.00 N ATOM 0 H GLN A 76 -4.590 -8.164 8.235 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.999 -5.717 6.765 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.650 -4.787 8.998 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.199 -5.598 8.886 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.178 -7.608 9.989 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.686 -6.709 10.178 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.734 -6.818 12.440 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.889 -5.888 13.399 1.00 0.00 H new ATOM 1136 N LEU A 77 -1.493 -5.627 6.894 1.00 0.00 N ATOM 1137 CA LEU A 77 -0.055 -5.725 6.771 1.00 0.00 C ATOM 1138 C LEU A 77 0.520 -4.360 7.018 1.00 0.00 C ATOM 1139 O LEU A 77 -0.183 -3.365 6.858 1.00 0.00 O ATOM 1140 CB LEU A 77 0.351 -6.190 5.368 1.00 0.00 C ATOM 1141 CG LEU A 77 -0.100 -7.593 4.971 1.00 0.00 C ATOM 1142 CD1 LEU A 77 0.263 -7.865 3.520 1.00 0.00 C ATOM 1143 CD2 LEU A 77 0.531 -8.632 5.883 1.00 0.00 C ATOM 0 H LEU A 77 -1.904 -4.795 6.470 1.00 0.00 H new ATOM 0 HA LEU A 77 0.319 -6.453 7.491 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.050 -5.482 4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.437 -6.144 5.292 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.183 -7.658 5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.063 -8.868 3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.231 -7.135 2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.343 -7.787 3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.199 -9.627 5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.617 -8.574 5.805 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.231 -8.442 6.913 1.00 0.00 H new ATOM 1155 N LEU A 78 1.772 -4.288 7.410 1.00 0.00 N ATOM 1156 CA LEU A 78 2.370 -2.981 7.509 1.00 0.00 C ATOM 1157 C LEU A 78 3.431 -2.821 6.421 1.00 0.00 C ATOM 1158 O LEU A 78 4.243 -3.722 6.191 1.00 0.00 O ATOM 1159 CB LEU A 78 2.901 -2.662 8.938 1.00 0.00 C ATOM 1160 CG LEU A 78 4.021 -3.538 9.553 1.00 0.00 C ATOM 1161 CD1 LEU A 78 3.695 -5.022 9.491 1.00 0.00 C ATOM 1162 CD2 LEU A 78 5.372 -3.246 8.915 1.00 0.00 C ATOM 0 H LEU A 78 2.370 -5.078 7.654 1.00 0.00 H new ATOM 0 HA LEU A 78 1.595 -2.234 7.338 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.260 -1.633 8.930 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.049 -2.698 9.617 1.00 0.00 H new ATOM 0 HG LEU A 78 4.082 -3.269 10.607 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.511 -5.593 9.934 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.775 -5.216 10.043 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.565 -5.323 8.451 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.134 -3.878 9.371 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.322 -3.452 7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.629 -2.198 9.071 1.00 0.00 H new ATOM 1174 N LEU A 79 3.395 -1.692 5.723 1.00 0.00 N ATOM 1175 CA LEU A 79 4.214 -1.525 4.526 1.00 0.00 C ATOM 1176 C LEU A 79 5.140 -0.311 4.619 1.00 0.00 C ATOM 1177 O LEU A 79 4.753 0.750 5.135 1.00 0.00 O ATOM 1178 CB LEU A 79 3.330 -1.394 3.275 1.00 0.00 C ATOM 1179 CG LEU A 79 2.509 -2.631 2.881 1.00 0.00 C ATOM 1180 CD1 LEU A 79 3.359 -3.891 2.959 1.00 0.00 C ATOM 1181 CD2 LEU A 79 1.255 -2.758 3.741 1.00 0.00 C ATOM 0 H LEU A 79 2.815 -0.887 5.960 1.00 0.00 H new ATOM 0 HA LEU A 79 4.834 -2.418 4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.642 -0.563 3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.968 -1.126 2.433 1.00 0.00 H new ATOM 0 HG LEU A 79 2.187 -2.505 1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.757 -4.754 2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.206 -3.801 2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.723 -4.022 3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.695 -3.643 3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.540 -2.850 4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.633 -1.872 3.611 1.00 0.00 H new ATOM 1193 N PRO A 80 6.380 -0.464 4.108 1.00 0.00 N ATOM 1194 CA PRO A 80 7.370 0.602 4.049 1.00 0.00 C ATOM 1195 C PRO A 80 7.265 1.428 2.763 1.00 0.00 C ATOM 1196 O PRO A 80 7.564 0.953 1.658 1.00 0.00 O ATOM 1197 CB PRO A 80 8.699 -0.152 4.108 1.00 0.00 C ATOM 1198 CG PRO A 80 8.419 -1.513 3.549 1.00 0.00 C ATOM 1199 CD PRO A 80 6.918 -1.718 3.556 1.00 0.00 C ATOM 0 HA PRO A 80 7.242 1.327 4.853 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.466 0.360 3.526 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.067 -0.218 5.132 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.811 -1.598 2.535 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.912 -2.280 4.146 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.538 -1.905 2.552 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.637 -2.575 4.168 1.00 0.00 H new ATOM 1207 N CYS A 81 6.818 2.659 2.931 1.00 0.00 N ATOM 1208 CA CYS A 81 6.606 3.599 1.835 1.00 0.00 C ATOM 1209 C CYS A 81 7.839 4.464 1.635 1.00 0.00 C ATOM 1210 O CYS A 81 8.298 5.133 2.556 1.00 0.00 O ATOM 1211 CB CYS A 81 5.400 4.458 2.173 1.00 0.00 C ATOM 1212 SG CYS A 81 4.480 5.022 0.727 1.00 0.00 S ATOM 0 H CYS A 81 6.587 3.044 3.847 1.00 0.00 H new ATOM 0 HA CYS A 81 6.427 3.058 0.906 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.731 3.890 2.819 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.732 5.326 2.742 1.00 0.00 H new ATOM 1217 N THR A 82 8.387 4.427 0.433 1.00 0.00 N ATOM 1218 CA THR A 82 9.559 5.215 0.126 1.00 0.00 C ATOM 1219 C THR A 82 9.358 6.002 -1.168 1.00 0.00 C ATOM 1220 O THR A 82 8.844 5.479 -2.157 1.00 0.00 O ATOM 1221 CB THR A 82 10.823 4.324 0.025 1.00 0.00 C ATOM 1222 OG1 THR A 82 11.977 5.118 -0.285 1.00 0.00 O ATOM 1223 CG2 THR A 82 10.650 3.238 -1.028 1.00 0.00 C ATOM 0 H THR A 82 8.038 3.861 -0.341 1.00 0.00 H new ATOM 0 HA THR A 82 9.707 5.921 0.943 1.00 0.00 H new ATOM 0 HB THR A 82 10.967 3.846 0.994 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.766 4.540 -0.343 1.00 0.00 H new ATOM 0 HG21 THR A 82 11.553 2.630 -1.075 1.00 0.00 H new ATOM 0 HG22 THR A 82 9.801 2.607 -0.764 1.00 0.00 H new ATOM 0 HG23 THR A 82 10.472 3.699 -2.000 1.00 0.00 H new ATOM 1231 N PRO A 83 9.704 7.291 -1.153 1.00 0.00 N ATOM 1232 CA PRO A 83 9.735 8.114 -2.348 1.00 0.00 C ATOM 1233 C PRO A 83 11.093 8.020 -3.036 1.00 0.00 C ATOM 1234 O PRO A 83 12.057 8.668 -2.619 1.00 0.00 O ATOM 1235 CB PRO A 83 9.491 9.535 -1.812 1.00 0.00 C ATOM 1236 CG PRO A 83 9.524 9.434 -0.311 1.00 0.00 C ATOM 1237 CD PRO A 83 10.061 8.070 0.029 1.00 0.00 C ATOM 0 HA PRO A 83 9.000 7.809 -3.093 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.256 10.223 -2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.530 9.920 -2.154 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.156 10.214 0.114 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.526 9.570 0.106 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.138 8.087 0.195 1.00 0.00 H new ATOM 0 HD3 PRO A 83 9.606 7.668 0.934 1.00 0.00 H new ATOM 1245 N GLN A 84 11.167 7.188 -4.068 1.00 0.00 N ATOM 1246 CA GLN A 84 12.418 6.950 -4.776 1.00 0.00 C ATOM 1247 C GLN A 84 12.125 6.621 -6.239 1.00 0.00 C ATOM 1248 O GLN A 84 12.498 5.564 -6.753 1.00 0.00 O ATOM 1249 CB GLN A 84 13.195 5.808 -4.098 1.00 0.00 C ATOM 1250 CG GLN A 84 14.570 5.528 -4.703 1.00 0.00 C ATOM 1251 CD GLN A 84 15.549 6.679 -4.544 1.00 0.00 C ATOM 1252 OE1 GLN A 84 15.163 7.845 -4.494 1.00 0.00 O ATOM 1253 NE2 GLN A 84 16.827 6.354 -4.476 1.00 0.00 N ATOM 0 H GLN A 84 10.371 6.665 -4.434 1.00 0.00 H new ATOM 0 HA GLN A 84 13.035 7.848 -4.741 1.00 0.00 H new ATOM 0 HB2 GLN A 84 13.319 6.047 -3.042 1.00 0.00 H new ATOM 0 HB3 GLN A 84 12.597 4.898 -4.150 1.00 0.00 H new ATOM 0 HG2 GLN A 84 14.989 4.638 -4.235 1.00 0.00 H new ATOM 0 HG3 GLN A 84 14.453 5.305 -5.764 1.00 0.00 H new ATOM 0 HE21 GLN A 84 17.107 5.374 -4.521 1.00 0.00 H new ATOM 0 HE22 GLN A 84 17.534 7.083 -4.378 1.00 0.00 H new