USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 602 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 26 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.052) USER MOD Set 1.2: A 30 MET CE :methyl -138:sc=-0.00247 (180deg=-0.0817) USER MOD Set 2.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 145:sc= -0.055 (180deg=-1.62!) USER MOD Single : A 14 CYS SG : rot -117:sc= -2.87! USER MOD Single : A 15 CYS SG : rot 37:sc= 0.0946 USER MOD Single : A 32 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.46) USER MOD Single : A 34 CYS SG : rot 71:sc= -2.89! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc=-0.00868 X(o=-0.0087,f=-0.18) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.0251 F(o=-0.55,f=-0.025) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 75 CYS SG : rot 60:sc= -5.19! USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.966 USER MOD Single : A 88 SER OG : rot 77:sc= 1.04 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -1.95! C(o=-2!,f=-7.1!) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -1.01 K(o=-1,f=-2.7!) USER MOD Single : A 99 THR OG1 : rot -170:sc= -1.13 USER MOD Single : A 100 TYR OH : rot -111:sc= 0.791 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 6 -11.909 -16.926 -5.682 1.00 0.00 N ATOM 75 CA LYS A 6 -11.165 -15.683 -5.516 1.00 0.00 C ATOM 76 C LYS A 6 -9.694 -15.881 -5.876 1.00 0.00 C ATOM 77 O LYS A 6 -9.058 -16.833 -5.424 1.00 0.00 O ATOM 78 CB LYS A 6 -11.293 -15.173 -4.077 1.00 0.00 C ATOM 79 CG LYS A 6 -12.695 -15.302 -3.500 1.00 0.00 C ATOM 80 CD LYS A 6 -13.492 -14.020 -3.686 1.00 0.00 C ATOM 81 CE LYS A 6 -14.413 -13.757 -2.505 1.00 0.00 C ATOM 82 NZ LYS A 6 -14.114 -12.455 -1.848 1.00 0.00 N ATOM 0 HA LYS A 6 -11.588 -14.939 -6.191 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.598 -15.724 -3.443 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.992 -14.126 -4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.215 -16.129 -3.984 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.633 -15.543 -2.439 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.808 -13.180 -3.809 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.082 -14.087 -4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.449 -13.763 -2.844 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.310 -14.563 -1.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.998 -12.027 -1.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.472 -12.611 -1.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.662 -11.816 -2.533 1.00 0.00 H new ATOM 96 N ILE A 7 -9.163 -14.981 -6.698 1.00 0.00 N ATOM 97 CA ILE A 7 -7.769 -15.060 -7.126 1.00 0.00 C ATOM 98 C ILE A 7 -6.812 -14.693 -5.998 1.00 0.00 C ATOM 99 O ILE A 7 -5.646 -15.089 -6.009 1.00 0.00 O ATOM 100 CB ILE A 7 -7.495 -14.135 -8.326 1.00 0.00 C ATOM 101 CG1 ILE A 7 -7.913 -12.698 -8.002 1.00 0.00 C ATOM 102 CG2 ILE A 7 -8.222 -14.642 -9.562 1.00 0.00 C ATOM 103 CD1 ILE A 7 -6.754 -11.729 -7.953 1.00 0.00 C ATOM 0 H ILE A 7 -9.677 -14.188 -7.082 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.597 -16.096 -7.419 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.425 -14.140 -8.531 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.628 -12.359 -8.751 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.427 -12.686 -7.041 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.019 -13.978 -10.402 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.875 -15.647 -9.802 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.295 -14.665 -9.369 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.124 -10.731 -7.719 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.048 -12.044 -7.184 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.253 -11.712 -8.921 1.00 0.00 H new ATOM 115 N PHE A 8 -7.306 -13.936 -5.024 1.00 0.00 N ATOM 116 CA PHE A 8 -6.485 -13.521 -3.894 1.00 0.00 C ATOM 117 C PHE A 8 -6.643 -14.495 -2.729 1.00 0.00 C ATOM 118 O PHE A 8 -5.657 -14.921 -2.128 1.00 0.00 O ATOM 119 CB PHE A 8 -6.865 -12.104 -3.451 1.00 0.00 C ATOM 120 CG PHE A 8 -6.403 -11.012 -4.386 1.00 0.00 C ATOM 121 CD1 PHE A 8 -5.338 -11.211 -5.254 1.00 0.00 C ATOM 122 CD2 PHE A 8 -7.040 -9.780 -4.390 1.00 0.00 C ATOM 123 CE1 PHE A 8 -4.921 -10.202 -6.105 1.00 0.00 C ATOM 124 CE2 PHE A 8 -6.626 -8.770 -5.237 1.00 0.00 C ATOM 125 CZ PHE A 8 -5.568 -8.981 -6.095 1.00 0.00 C ATOM 0 H PHE A 8 -8.268 -13.599 -4.995 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.442 -13.523 -4.209 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.949 -12.046 -3.352 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.444 -11.921 -2.462 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.829 -12.164 -5.265 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.871 -9.608 -3.722 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.091 -10.369 -6.776 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.131 -7.815 -5.227 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.245 -8.193 -6.759 1.00 0.00 H new ATOM 135 N ARG A 9 -7.891 -14.850 -2.425 1.00 0.00 N ATOM 136 CA ARG A 9 -8.194 -15.784 -1.340 1.00 0.00 C ATOM 137 C ARG A 9 -7.337 -15.513 -0.110 1.00 0.00 C ATOM 138 O ARG A 9 -6.253 -16.077 0.042 1.00 0.00 O ATOM 139 CB ARG A 9 -8.001 -17.230 -1.806 1.00 0.00 C ATOM 140 CG ARG A 9 -6.723 -17.452 -2.601 1.00 0.00 C ATOM 141 CD ARG A 9 -6.559 -18.910 -3.001 1.00 0.00 C ATOM 142 NE ARG A 9 -6.551 -19.080 -4.451 1.00 0.00 N ATOM 143 CZ ARG A 9 -5.606 -18.588 -5.251 1.00 0.00 C ATOM 144 NH1 ARG A 9 -4.592 -17.897 -4.745 1.00 0.00 N ATOM 145 NH2 ARG A 9 -5.676 -18.788 -6.560 1.00 0.00 N ATOM 0 H ARG A 9 -8.714 -14.503 -2.918 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.237 -15.635 -1.062 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.995 -17.885 -0.935 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.854 -17.522 -2.418 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.737 -16.828 -3.495 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.865 -17.138 -2.007 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.629 -19.298 -2.585 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.370 -19.498 -2.571 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.314 -19.606 -4.877 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.533 -17.740 -3.739 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.871 -17.523 -5.362 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.453 -19.318 -6.954 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.953 -18.411 -7.173 1.00 0.00 H new ATOM 159 N GLY A 10 -7.829 -14.643 0.761 1.00 0.00 N ATOM 160 CA GLY A 10 -7.096 -14.306 1.966 1.00 0.00 C ATOM 161 C GLY A 10 -6.017 -13.280 1.705 1.00 0.00 C ATOM 162 O GLY A 10 -4.835 -13.616 1.621 1.00 0.00 O ATOM 0 H GLY A 10 -8.723 -14.164 0.655 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.788 -13.922 2.715 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.646 -15.208 2.381 1.00 0.00 H new ATOM 166 N LEU A 11 -6.427 -12.027 1.566 1.00 0.00 N ATOM 167 CA LEU A 11 -5.491 -10.942 1.302 1.00 0.00 C ATOM 168 C LEU A 11 -5.948 -9.646 1.963 1.00 0.00 C ATOM 169 O LEU A 11 -7.114 -9.499 2.329 1.00 0.00 O ATOM 170 CB LEU A 11 -5.345 -10.734 -0.207 1.00 0.00 C ATOM 171 CG LEU A 11 -3.939 -10.965 -0.762 1.00 0.00 C ATOM 172 CD1 LEU A 11 -4.007 -11.684 -2.099 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.203 -9.644 -0.906 1.00 0.00 C ATOM 0 H LEU A 11 -7.402 -11.736 1.632 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.525 -11.217 1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.035 -11.405 -0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.651 -9.716 -0.449 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.389 -11.593 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.998 -11.840 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.499 -12.648 -1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.573 -11.080 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.204 -9.825 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.751 -8.994 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.125 -9.163 0.069 1.00 0.00 H new ATOM 185 N GLU A 12 -5.019 -8.707 2.106 1.00 0.00 N ATOM 186 CA GLU A 12 -5.317 -7.418 2.713 1.00 0.00 C ATOM 187 C GLU A 12 -4.592 -6.301 1.969 1.00 0.00 C ATOM 188 O GLU A 12 -3.368 -6.194 2.034 1.00 0.00 O ATOM 189 CB GLU A 12 -4.912 -7.423 4.189 1.00 0.00 C ATOM 190 CG GLU A 12 -6.093 -7.477 5.144 1.00 0.00 C ATOM 191 CD GLU A 12 -5.808 -8.309 6.379 1.00 0.00 C ATOM 192 OE1 GLU A 12 -4.936 -7.906 7.177 1.00 0.00 O ATOM 193 OE2 GLU A 12 -6.456 -9.363 6.547 1.00 0.00 O ATOM 0 H GLU A 12 -4.050 -8.817 1.808 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.390 -7.240 2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.264 -8.280 4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.326 -6.528 4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.357 -6.464 5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.957 -7.890 4.624 1.00 0.00 H new ATOM 200 N ILE A 13 -5.351 -5.476 1.252 1.00 0.00 N ATOM 201 CA ILE A 13 -4.768 -4.378 0.486 1.00 0.00 C ATOM 202 C ILE A 13 -5.348 -3.030 0.898 1.00 0.00 C ATOM 203 O ILE A 13 -6.565 -2.844 0.917 1.00 0.00 O ATOM 204 CB ILE A 13 -4.991 -4.571 -1.026 1.00 0.00 C ATOM 205 CG1 ILE A 13 -4.601 -5.989 -1.450 1.00 0.00 C ATOM 206 CG2 ILE A 13 -4.201 -3.539 -1.816 1.00 0.00 C ATOM 207 CD1 ILE A 13 -5.680 -6.698 -2.238 1.00 0.00 C ATOM 0 H ILE A 13 -6.366 -5.546 1.185 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.700 -4.386 0.702 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.051 -4.430 -1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.693 -5.944 -2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.366 -6.575 -0.561 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.370 -3.690 -2.882 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.527 -2.538 -1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.139 -3.649 -1.598 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.337 -7.697 -2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.583 -6.774 -1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.899 -6.134 -3.145 1.00 0.00 H new ATOM 219 N CYS A 14 -4.466 -2.087 1.220 1.00 0.00 N ATOM 220 CA CYS A 14 -4.886 -0.750 1.622 1.00 0.00 C ATOM 221 C CYS A 14 -4.478 0.287 0.581 1.00 0.00 C ATOM 222 O CYS A 14 -3.341 0.295 0.110 1.00 0.00 O ATOM 223 CB CYS A 14 -4.288 -0.388 2.982 1.00 0.00 C ATOM 224 SG CYS A 14 -2.489 -0.202 2.975 1.00 0.00 S ATOM 0 H CYS A 14 -3.456 -2.226 1.210 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.973 -0.750 1.701 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.737 0.543 3.327 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.559 -1.159 3.703 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.957 -1.098 3.752 1.00 0.00 H new ATOM 230 N CYS A 15 -5.413 1.163 0.229 1.00 0.00 N ATOM 231 CA CYS A 15 -5.152 2.208 -0.753 1.00 0.00 C ATOM 232 C CYS A 15 -4.843 3.532 -0.063 1.00 0.00 C ATOM 233 O CYS A 15 -5.727 4.165 0.512 1.00 0.00 O ATOM 234 CB CYS A 15 -6.353 2.371 -1.686 1.00 0.00 C ATOM 235 SG CYS A 15 -7.903 2.751 -0.835 1.00 0.00 S ATOM 0 H CYS A 15 -6.359 1.170 0.610 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.283 1.914 -1.342 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.139 3.166 -2.401 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -6.481 1.453 -2.259 1.00 0.00 H new ATOM 0 HG CYS A 15 -7.663 3.536 0.173 1.00 0.00 H new ATOM 241 N TYR A 16 -3.580 3.943 -0.120 1.00 0.00 N ATOM 242 CA TYR A 16 -3.154 5.191 0.505 1.00 0.00 C ATOM 243 C TYR A 16 -3.185 6.341 -0.496 1.00 0.00 C ATOM 244 O TYR A 16 -2.590 6.260 -1.570 1.00 0.00 O ATOM 245 CB TYR A 16 -1.745 5.041 1.082 1.00 0.00 C ATOM 246 CG TYR A 16 -1.346 6.166 2.009 1.00 0.00 C ATOM 247 CD1 TYR A 16 -1.087 7.440 1.516 1.00 0.00 C ATOM 248 CD2 TYR A 16 -1.229 5.956 3.377 1.00 0.00 C ATOM 249 CE1 TYR A 16 -0.721 8.471 2.361 1.00 0.00 C ATOM 250 CE2 TYR A 16 -0.864 6.983 4.229 1.00 0.00 C ATOM 251 CZ TYR A 16 -0.612 8.237 3.716 1.00 0.00 C ATOM 252 OH TYR A 16 -0.248 9.261 4.560 1.00 0.00 O ATOM 0 H TYR A 16 -2.834 3.431 -0.592 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.849 5.418 1.313 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.682 4.097 1.623 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.030 4.987 0.261 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -1.173 7.627 0.456 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -1.426 4.975 3.782 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.521 9.455 1.962 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.777 6.803 5.290 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.218 8.930 5.482 1.00 0.00 H new ATOM 262 N GLY A 17 -3.884 7.413 -0.135 1.00 0.00 N ATOM 263 CA GLY A 17 -3.982 8.567 -1.009 1.00 0.00 C ATOM 264 C GLY A 17 -5.251 8.558 -1.842 1.00 0.00 C ATOM 265 O GLY A 17 -5.906 7.523 -1.968 1.00 0.00 O ATOM 0 H GLY A 17 -4.385 7.502 0.749 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.951 9.477 -0.409 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.117 8.592 -1.671 1.00 0.00 H new ATOM 269 N PRO A 18 -5.629 9.709 -2.425 1.00 0.00 N ATOM 270 CA PRO A 18 -6.835 9.820 -3.248 1.00 0.00 C ATOM 271 C PRO A 18 -6.622 9.324 -4.678 1.00 0.00 C ATOM 272 O PRO A 18 -7.565 9.270 -5.468 1.00 0.00 O ATOM 273 CB PRO A 18 -7.110 11.322 -3.240 1.00 0.00 C ATOM 274 CG PRO A 18 -5.760 11.946 -3.132 1.00 0.00 C ATOM 275 CD PRO A 18 -4.913 10.996 -2.324 1.00 0.00 C ATOM 0 HA PRO A 18 -7.653 9.211 -2.863 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.622 11.637 -4.149 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.747 11.605 -2.402 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.327 12.108 -4.119 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.821 12.920 -2.647 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.902 10.923 -2.724 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.823 11.323 -1.288 1.00 0.00 H new ATOM 283 N PHE A 19 -5.380 8.968 -5.005 1.00 0.00 N ATOM 284 CA PHE A 19 -5.047 8.480 -6.341 1.00 0.00 C ATOM 285 C PHE A 19 -5.278 9.561 -7.392 1.00 0.00 C ATOM 286 O PHE A 19 -4.337 10.212 -7.845 1.00 0.00 O ATOM 287 CB PHE A 19 -5.868 7.233 -6.679 1.00 0.00 C ATOM 288 CG PHE A 19 -5.393 5.993 -5.977 1.00 0.00 C ATOM 289 CD1 PHE A 19 -5.420 5.915 -4.594 1.00 0.00 C ATOM 290 CD2 PHE A 19 -4.918 4.908 -6.697 1.00 0.00 C ATOM 291 CE1 PHE A 19 -4.982 4.779 -3.941 1.00 0.00 C ATOM 292 CE2 PHE A 19 -4.478 3.769 -6.049 1.00 0.00 C ATOM 293 CZ PHE A 19 -4.510 3.705 -4.669 1.00 0.00 C ATOM 0 H PHE A 19 -4.589 9.009 -4.363 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.989 8.216 -6.346 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.911 7.412 -6.417 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.834 7.067 -7.756 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.788 6.752 -4.019 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.891 4.953 -7.776 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.009 4.731 -2.862 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.110 2.930 -6.621 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.166 2.816 -4.161 1.00 0.00 H new ATOM 376 N ASP A 25 -12.694 3.742 -3.202 1.00 0.00 N ATOM 377 CA ASP A 25 -13.655 2.788 -2.666 1.00 0.00 C ATOM 378 C ASP A 25 -13.896 1.678 -3.678 1.00 0.00 C ATOM 379 O ASP A 25 -14.187 0.538 -3.316 1.00 0.00 O ATOM 380 CB ASP A 25 -14.973 3.486 -2.324 1.00 0.00 C ATOM 381 CG ASP A 25 -15.700 2.817 -1.174 1.00 0.00 C ATOM 382 OD1 ASP A 25 -16.046 1.625 -1.303 1.00 0.00 O ATOM 383 OD2 ASP A 25 -15.923 3.487 -0.144 1.00 0.00 O ATOM 0 HA ASP A 25 -13.248 2.357 -1.751 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -14.774 4.527 -2.068 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -15.617 3.491 -3.203 1.00 0.00 H new ATOM 388 N GLN A 26 -13.751 2.024 -4.951 1.00 0.00 N ATOM 389 CA GLN A 26 -13.926 1.069 -6.030 1.00 0.00 C ATOM 390 C GLN A 26 -12.724 0.133 -6.100 1.00 0.00 C ATOM 391 O GLN A 26 -12.836 -1.011 -6.542 1.00 0.00 O ATOM 392 CB GLN A 26 -14.099 1.808 -7.357 1.00 0.00 C ATOM 393 CG GLN A 26 -15.180 1.221 -8.247 1.00 0.00 C ATOM 394 CD GLN A 26 -14.942 1.502 -9.717 1.00 0.00 C ATOM 395 OE1 GLN A 26 -15.810 2.035 -10.407 1.00 0.00 O ATOM 396 NE2 GLN A 26 -13.758 1.145 -10.203 1.00 0.00 N ATOM 0 H GLN A 26 -13.511 2.966 -5.259 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.820 0.476 -5.838 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -14.336 2.852 -7.153 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -13.151 1.796 -7.895 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.229 0.143 -8.090 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.147 1.630 -7.955 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.068 0.706 -9.594 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.539 1.310 -11.185 1.00 0.00 H new ATOM 405 N LEU A 27 -11.574 0.630 -5.653 1.00 0.00 N ATOM 406 CA LEU A 27 -10.347 -0.156 -5.653 1.00 0.00 C ATOM 407 C LEU A 27 -10.395 -1.223 -4.568 1.00 0.00 C ATOM 408 O LEU A 27 -10.159 -2.401 -4.834 1.00 0.00 O ATOM 409 CB LEU A 27 -9.135 0.755 -5.442 1.00 0.00 C ATOM 410 CG LEU A 27 -7.776 0.057 -5.526 1.00 0.00 C ATOM 411 CD1 LEU A 27 -7.490 -0.381 -6.954 1.00 0.00 C ATOM 412 CD2 LEU A 27 -6.675 0.974 -5.017 1.00 0.00 C ATOM 0 H LEU A 27 -11.468 1.576 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.254 -0.649 -6.620 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.164 1.551 -6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.222 1.230 -4.465 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.804 -0.831 -4.894 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.520 -0.876 -6.995 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.264 -1.073 -7.284 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.481 0.492 -7.607 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.715 0.462 -5.084 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.646 1.879 -5.623 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.873 1.239 -3.978 1.00 0.00 H new ATOM 424 N GLU A 28 -10.713 -0.808 -3.344 1.00 0.00 N ATOM 425 CA GLU A 28 -10.799 -1.744 -2.229 1.00 0.00 C ATOM 426 C GLU A 28 -11.933 -2.736 -2.456 1.00 0.00 C ATOM 427 O GLU A 28 -11.883 -3.872 -1.986 1.00 0.00 O ATOM 428 CB GLU A 28 -10.994 -0.998 -0.911 1.00 0.00 C ATOM 429 CG GLU A 28 -12.292 -0.211 -0.838 1.00 0.00 C ATOM 430 CD GLU A 28 -13.376 -0.943 -0.073 1.00 0.00 C ATOM 431 OE1 GLU A 28 -14.123 -1.722 -0.700 1.00 0.00 O ATOM 432 OE2 GLU A 28 -13.479 -0.736 1.154 1.00 0.00 O ATOM 0 H GLU A 28 -10.914 0.162 -3.101 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.861 -2.297 -2.171 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.968 -1.716 -0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.157 -0.315 -0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.103 0.751 -0.362 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.643 -0.003 -1.849 1.00 0.00 H new ATOM 439 N TRP A 29 -12.945 -2.308 -3.202 1.00 0.00 N ATOM 440 CA TRP A 29 -14.072 -3.171 -3.516 1.00 0.00 C ATOM 441 C TRP A 29 -13.624 -4.244 -4.500 1.00 0.00 C ATOM 442 O TRP A 29 -13.843 -5.436 -4.290 1.00 0.00 O ATOM 443 CB TRP A 29 -15.220 -2.347 -4.112 1.00 0.00 C ATOM 444 CG TRP A 29 -16.144 -3.142 -4.987 1.00 0.00 C ATOM 445 CD1 TRP A 29 -17.027 -4.097 -4.581 1.00 0.00 C ATOM 446 CD2 TRP A 29 -16.267 -3.058 -6.412 1.00 0.00 C ATOM 447 NE1 TRP A 29 -17.701 -4.608 -5.664 1.00 0.00 N ATOM 448 CE2 TRP A 29 -17.251 -3.986 -6.799 1.00 0.00 C ATOM 449 CE3 TRP A 29 -15.644 -2.285 -7.396 1.00 0.00 C ATOM 450 CZ2 TRP A 29 -17.626 -4.162 -8.129 1.00 0.00 C ATOM 451 CZ3 TRP A 29 -16.015 -2.462 -8.715 1.00 0.00 C ATOM 452 CH2 TRP A 29 -16.999 -3.393 -9.071 1.00 0.00 C ATOM 0 H TRP A 29 -13.006 -1.370 -3.599 1.00 0.00 H new ATOM 0 HA TRP A 29 -14.430 -3.647 -2.603 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -15.796 -1.903 -3.300 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -14.802 -1.525 -4.693 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -17.176 -4.407 -3.557 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -18.419 -5.332 -5.629 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -14.886 -1.563 -7.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -18.384 -4.879 -8.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -15.538 -1.873 -9.484 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -17.268 -3.506 -10.111 1.00 0.00 H new ATOM 463 N MET A 30 -12.985 -3.794 -5.571 1.00 0.00 N ATOM 464 CA MET A 30 -12.482 -4.689 -6.605 1.00 0.00 C ATOM 465 C MET A 30 -11.589 -5.768 -5.998 1.00 0.00 C ATOM 466 O MET A 30 -11.757 -6.953 -6.286 1.00 0.00 O ATOM 467 CB MET A 30 -11.713 -3.895 -7.663 1.00 0.00 C ATOM 468 CG MET A 30 -12.365 -3.920 -9.035 1.00 0.00 C ATOM 469 SD MET A 30 -11.340 -3.158 -10.306 1.00 0.00 S ATOM 470 CE MET A 30 -11.465 -1.430 -9.852 1.00 0.00 C ATOM 0 H MET A 30 -12.801 -2.806 -5.747 1.00 0.00 H new ATOM 0 HA MET A 30 -13.332 -5.177 -7.081 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.620 -2.860 -7.333 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.702 -4.296 -7.743 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.575 -4.952 -9.314 1.00 0.00 H new ATOM 0 HG3 MET A 30 -13.323 -3.402 -8.987 1.00 0.00 H new ATOM 0 HE1 MET A 30 -11.589 -0.826 -10.751 1.00 0.00 H new ATOM 0 HE2 MET A 30 -12.324 -1.287 -9.197 1.00 0.00 H new ATOM 0 HE3 MET A 30 -10.557 -1.124 -9.332 1.00 0.00 H new ATOM 480 N VAL A 31 -10.651 -5.359 -5.145 1.00 0.00 N ATOM 481 CA VAL A 31 -9.759 -6.314 -4.497 1.00 0.00 C ATOM 482 C VAL A 31 -10.571 -7.273 -3.638 1.00 0.00 C ATOM 483 O VAL A 31 -10.371 -8.487 -3.676 1.00 0.00 O ATOM 484 CB VAL A 31 -8.701 -5.616 -3.621 1.00 0.00 C ATOM 485 CG1 VAL A 31 -7.762 -4.774 -4.473 1.00 0.00 C ATOM 486 CG2 VAL A 31 -9.358 -4.760 -2.555 1.00 0.00 C ATOM 0 H VAL A 31 -10.491 -4.384 -4.890 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.236 -6.859 -5.283 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.115 -6.390 -3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.024 -4.291 -3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.253 -5.414 -5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.335 -4.013 -5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.590 -4.278 -1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.976 -3.998 -3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.981 -5.387 -1.917 1.00 0.00 H new ATOM 496 N GLN A 32 -11.504 -6.709 -2.880 1.00 0.00 N ATOM 497 CA GLN A 32 -12.379 -7.495 -2.019 1.00 0.00 C ATOM 498 C GLN A 32 -13.122 -8.540 -2.845 1.00 0.00 C ATOM 499 O GLN A 32 -13.347 -9.664 -2.399 1.00 0.00 O ATOM 500 CB GLN A 32 -13.377 -6.577 -1.307 1.00 0.00 C ATOM 501 CG GLN A 32 -13.135 -6.456 0.189 1.00 0.00 C ATOM 502 CD GLN A 32 -13.814 -5.244 0.793 1.00 0.00 C ATOM 503 OE1 GLN A 32 -14.578 -5.359 1.752 1.00 0.00 O ATOM 504 NE2 GLN A 32 -13.539 -4.070 0.235 1.00 0.00 N ATOM 0 H GLN A 32 -11.674 -5.704 -2.845 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.774 -8.005 -1.269 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.329 -5.585 -1.756 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -14.386 -6.953 -1.474 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -13.497 -7.356 0.686 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.063 -6.398 0.376 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -12.900 -4.020 -0.558 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.967 -3.219 0.600 1.00 0.00 H new ATOM 513 N LEU A 33 -13.485 -8.149 -4.062 1.00 0.00 N ATOM 514 CA LEU A 33 -14.189 -9.030 -4.984 1.00 0.00 C ATOM 515 C LEU A 33 -13.268 -10.142 -5.480 1.00 0.00 C ATOM 516 O LEU A 33 -13.729 -11.181 -5.954 1.00 0.00 O ATOM 517 CB LEU A 33 -14.728 -8.226 -6.171 1.00 0.00 C ATOM 518 CG LEU A 33 -15.759 -8.951 -7.037 1.00 0.00 C ATOM 519 CD1 LEU A 33 -16.863 -9.545 -6.173 1.00 0.00 C ATOM 520 CD2 LEU A 33 -16.344 -7.999 -8.070 1.00 0.00 C ATOM 0 H LEU A 33 -13.300 -7.218 -4.435 1.00 0.00 H new ATOM 0 HA LEU A 33 -15.024 -9.486 -4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.177 -7.308 -5.793 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -13.889 -7.934 -6.802 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.259 -9.766 -7.560 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.586 -10.056 -6.808 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.431 -10.256 -5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -17.363 -8.748 -5.623 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -17.076 -8.529 -8.679 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -16.829 -7.165 -7.563 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -15.546 -7.620 -8.709 1.00 0.00 H new ATOM 532 N CYS A 34 -11.961 -9.908 -5.380 1.00 0.00 N ATOM 533 CA CYS A 34 -10.966 -10.875 -5.828 1.00 0.00 C ATOM 534 C CYS A 34 -10.521 -11.794 -4.690 1.00 0.00 C ATOM 535 O CYS A 34 -9.725 -12.710 -4.903 1.00 0.00 O ATOM 536 CB CYS A 34 -9.753 -10.148 -6.411 1.00 0.00 C ATOM 537 SG CYS A 34 -10.101 -9.236 -7.933 1.00 0.00 S ATOM 0 H CYS A 34 -11.567 -9.052 -4.990 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.428 -11.493 -6.598 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.365 -9.454 -5.665 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -8.966 -10.876 -6.608 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.837 -8.200 -7.659 1.00 0.00 H new ATOM 543 N GLY A 35 -11.032 -11.550 -3.483 1.00 0.00 N ATOM 544 CA GLY A 35 -10.670 -12.375 -2.342 1.00 0.00 C ATOM 545 C GLY A 35 -10.012 -11.581 -1.232 1.00 0.00 C ATOM 546 O GLY A 35 -10.159 -11.908 -0.053 1.00 0.00 O ATOM 0 H GLY A 35 -11.689 -10.797 -3.276 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.564 -12.863 -1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.993 -13.164 -2.669 1.00 0.00 H new ATOM 550 N ALA A 36 -9.282 -10.540 -1.608 1.00 0.00 N ATOM 551 CA ALA A 36 -8.593 -9.696 -0.641 1.00 0.00 C ATOM 552 C ALA A 36 -9.577 -9.005 0.292 1.00 0.00 C ATOM 553 O ALA A 36 -10.788 -9.196 0.193 1.00 0.00 O ATOM 554 CB ALA A 36 -7.738 -8.666 -1.361 1.00 0.00 C ATOM 0 H ALA A 36 -9.151 -10.259 -2.580 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.950 -10.334 -0.035 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.228 -8.041 -0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.000 -9.175 -1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.373 -8.043 -1.991 1.00 0.00 H new ATOM 560 N SER A 37 -9.037 -8.203 1.198 1.00 0.00 N ATOM 561 CA SER A 37 -9.853 -7.471 2.160 1.00 0.00 C ATOM 562 C SER A 37 -9.350 -6.039 2.310 1.00 0.00 C ATOM 563 O SER A 37 -8.144 -5.796 2.348 1.00 0.00 O ATOM 564 CB SER A 37 -9.838 -8.180 3.517 1.00 0.00 C ATOM 565 OG SER A 37 -11.151 -8.519 3.929 1.00 0.00 O ATOM 0 H SER A 37 -8.034 -8.041 1.288 1.00 0.00 H new ATOM 0 HA SER A 37 -10.878 -7.441 1.790 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.229 -9.082 3.453 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.374 -7.535 4.263 1.00 0.00 H new ATOM 0 HG SER A 37 -11.115 -8.972 4.797 1.00 0.00 H new ATOM 571 N VAL A 38 -10.280 -5.094 2.395 1.00 0.00 N ATOM 572 CA VAL A 38 -9.925 -3.687 2.541 1.00 0.00 C ATOM 573 C VAL A 38 -9.376 -3.406 3.936 1.00 0.00 C ATOM 574 O VAL A 38 -10.038 -3.672 4.939 1.00 0.00 O ATOM 575 CB VAL A 38 -11.132 -2.767 2.271 1.00 0.00 C ATOM 576 CG1 VAL A 38 -12.256 -3.047 3.258 1.00 0.00 C ATOM 577 CG2 VAL A 38 -10.716 -1.305 2.327 1.00 0.00 C ATOM 0 H VAL A 38 -11.283 -5.276 2.365 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.154 -3.474 1.801 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.503 -2.977 1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.097 -2.386 3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.576 -4.084 3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.901 -2.871 4.273 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -11.582 -0.673 2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.314 -1.079 3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.953 -1.115 1.573 1.00 0.00 H new ATOM 587 N VAL A 39 -8.160 -2.873 3.991 1.00 0.00 N ATOM 588 CA VAL A 39 -7.518 -2.563 5.262 1.00 0.00 C ATOM 589 C VAL A 39 -7.658 -1.083 5.601 1.00 0.00 C ATOM 590 O VAL A 39 -7.265 -0.218 4.818 1.00 0.00 O ATOM 591 CB VAL A 39 -6.024 -2.938 5.236 1.00 0.00 C ATOM 592 CG1 VAL A 39 -5.464 -3.028 6.645 1.00 0.00 C ATOM 593 CG2 VAL A 39 -5.808 -4.245 4.488 1.00 0.00 C ATOM 0 H VAL A 39 -7.599 -2.647 3.169 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.020 -3.154 6.028 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.488 -2.150 4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.408 -3.294 6.600 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.575 -2.065 7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.007 -3.790 7.204 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.746 -4.490 4.482 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.362 -5.043 4.983 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.161 -4.140 3.462 1.00 0.00 H new ATOM 603 N LYS A 40 -8.222 -0.798 6.769 1.00 0.00 N ATOM 604 CA LYS A 40 -8.418 0.579 7.210 1.00 0.00 C ATOM 605 C LYS A 40 -7.091 1.325 7.285 1.00 0.00 C ATOM 606 O LYS A 40 -6.965 2.443 6.785 1.00 0.00 O ATOM 607 CB LYS A 40 -9.112 0.607 8.573 1.00 0.00 C ATOM 608 CG LYS A 40 -10.609 0.858 8.488 1.00 0.00 C ATOM 609 CD LYS A 40 -11.381 -0.435 8.289 1.00 0.00 C ATOM 610 CE LYS A 40 -12.753 -0.179 7.686 1.00 0.00 C ATOM 611 NZ LYS A 40 -13.489 -1.446 7.423 1.00 0.00 N ATOM 0 H LYS A 40 -8.552 -1.502 7.429 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.051 1.080 6.477 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.939 -0.343 9.079 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.656 1.383 9.188 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.949 1.349 9.400 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.818 1.538 7.663 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.815 -1.101 7.638 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.493 -0.944 9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.336 0.446 8.363 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.642 0.377 6.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.419 -1.228 7.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.945 -2.032 6.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.617 -1.965 8.315 1.00 0.00 H new ATOM 625 N GLU A 41 -6.105 0.700 7.914 1.00 0.00 N ATOM 626 CA GLU A 41 -4.785 1.303 8.058 1.00 0.00 C ATOM 627 C GLU A 41 -3.685 0.269 7.843 1.00 0.00 C ATOM 628 O GLU A 41 -3.955 -0.925 7.725 1.00 0.00 O ATOM 629 CB GLU A 41 -4.640 1.937 9.443 1.00 0.00 C ATOM 630 CG GLU A 41 -5.612 3.078 9.695 1.00 0.00 C ATOM 631 CD GLU A 41 -5.718 3.439 11.165 1.00 0.00 C ATOM 632 OE1 GLU A 41 -4.689 3.369 11.869 1.00 0.00 O ATOM 633 OE2 GLU A 41 -6.831 3.790 11.610 1.00 0.00 O ATOM 0 H GLU A 41 -6.193 -0.226 8.334 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.683 2.077 7.297 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.789 1.169 10.202 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.621 2.306 9.559 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.292 3.954 9.131 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.597 2.801 9.321 1.00 0.00 H new ATOM 640 N LEU A 42 -2.442 0.738 7.794 1.00 0.00 N ATOM 641 CA LEU A 42 -1.299 -0.145 7.595 1.00 0.00 C ATOM 642 C LEU A 42 -1.125 -1.082 8.786 1.00 0.00 C ATOM 643 O LEU A 42 -1.006 -2.296 8.622 1.00 0.00 O ATOM 644 CB LEU A 42 -0.024 0.674 7.384 1.00 0.00 C ATOM 645 CG LEU A 42 -0.127 1.776 6.327 1.00 0.00 C ATOM 646 CD1 LEU A 42 1.015 2.771 6.475 1.00 0.00 C ATOM 647 CD2 LEU A 42 -0.135 1.173 4.931 1.00 0.00 C ATOM 0 H LEU A 42 -2.201 1.725 7.889 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.486 -0.746 6.705 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.259 1.128 8.334 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.782 -0.004 7.102 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.065 2.310 6.477 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.923 3.546 5.714 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.974 3.227 7.464 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.967 2.254 6.353 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.209 1.970 4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.787 0.613 4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.989 0.503 4.829 1.00 0.00 H new ATOM 659 N SER A 43 -1.112 -0.512 9.985 1.00 0.00 N ATOM 660 CA SER A 43 -0.954 -1.297 11.204 1.00 0.00 C ATOM 661 C SER A 43 -2.065 -2.337 11.338 1.00 0.00 C ATOM 662 O SER A 43 -1.915 -3.328 12.053 1.00 0.00 O ATOM 663 CB SER A 43 -0.950 -0.380 12.428 1.00 0.00 C ATOM 664 OG SER A 43 -0.557 -1.085 13.592 1.00 0.00 O ATOM 0 H SER A 43 -1.209 0.492 10.140 1.00 0.00 H new ATOM 0 HA SER A 43 0.000 -1.821 11.144 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.271 0.455 12.258 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.944 0.042 12.573 1.00 0.00 H new ATOM 0 HG SER A 43 -0.561 -0.476 14.360 1.00 0.00 H new ATOM 670 N SER A 44 -3.179 -2.107 10.648 1.00 0.00 N ATOM 671 CA SER A 44 -4.311 -3.025 10.697 1.00 0.00 C ATOM 672 C SER A 44 -3.934 -4.399 10.147 1.00 0.00 C ATOM 673 O SER A 44 -4.568 -5.403 10.474 1.00 0.00 O ATOM 674 CB SER A 44 -5.492 -2.451 9.910 1.00 0.00 C ATOM 675 OG SER A 44 -6.617 -2.253 10.748 1.00 0.00 O ATOM 0 H SER A 44 -3.321 -1.294 10.049 1.00 0.00 H new ATOM 0 HA SER A 44 -4.600 -3.146 11.741 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.203 -1.504 9.454 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.755 -3.128 9.098 1.00 0.00 H new ATOM 0 HG SER A 44 -7.356 -1.884 10.221 1.00 0.00 H new ATOM 681 N PHE A 45 -2.902 -4.440 9.307 1.00 0.00 N ATOM 682 CA PHE A 45 -2.448 -5.695 8.713 1.00 0.00 C ATOM 683 C PHE A 45 -2.168 -6.742 9.787 1.00 0.00 C ATOM 684 O PHE A 45 -1.236 -6.600 10.578 1.00 0.00 O ATOM 685 CB PHE A 45 -1.192 -5.462 7.872 1.00 0.00 C ATOM 686 CG PHE A 45 -1.459 -4.726 6.590 1.00 0.00 C ATOM 687 CD1 PHE A 45 -2.453 -5.154 5.725 1.00 0.00 C ATOM 688 CD2 PHE A 45 -0.720 -3.603 6.253 1.00 0.00 C ATOM 689 CE1 PHE A 45 -2.703 -4.477 4.547 1.00 0.00 C ATOM 690 CE2 PHE A 45 -0.967 -2.922 5.077 1.00 0.00 C ATOM 691 CZ PHE A 45 -1.959 -3.359 4.223 1.00 0.00 C ATOM 0 H PHE A 45 -2.365 -3.620 9.023 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.245 -6.068 8.069 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.469 -4.899 8.462 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.735 -6.424 7.641 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.039 -6.026 5.974 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.058 -3.256 6.917 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.479 -4.821 3.880 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.384 -2.048 4.826 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.153 -2.828 3.303 1.00 0.00 H new ATOM 762 N VAL A 51 -3.819 -14.645 5.185 1.00 0.00 N ATOM 763 CA VAL A 51 -4.018 -13.272 4.736 1.00 0.00 C ATOM 764 C VAL A 51 -2.687 -12.545 4.581 1.00 0.00 C ATOM 765 O VAL A 51 -1.959 -12.347 5.553 1.00 0.00 O ATOM 766 CB VAL A 51 -4.910 -12.483 5.714 1.00 0.00 C ATOM 767 CG1 VAL A 51 -6.372 -12.859 5.525 1.00 0.00 C ATOM 768 CG2 VAL A 51 -4.473 -12.723 7.151 1.00 0.00 C ATOM 0 HA VAL A 51 -4.514 -13.327 3.767 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.800 -11.420 5.499 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.987 -12.292 6.224 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.678 -12.630 4.504 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.500 -13.925 5.711 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.115 -12.157 7.826 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.550 -13.785 7.382 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.440 -12.399 7.276 1.00 0.00 H new ATOM 778 N HIS A 52 -2.376 -12.146 3.351 1.00 0.00 N ATOM 779 CA HIS A 52 -1.132 -11.438 3.069 1.00 0.00 C ATOM 780 C HIS A 52 -1.371 -9.931 2.998 1.00 0.00 C ATOM 781 O HIS A 52 -2.318 -9.476 2.356 1.00 0.00 O ATOM 782 CB HIS A 52 -0.525 -11.934 1.755 1.00 0.00 C ATOM 783 CG HIS A 52 0.967 -12.066 1.799 1.00 0.00 C ATOM 784 ND1 HIS A 52 1.823 -11.092 1.330 1.00 0.00 N ATOM 785 CD2 HIS A 52 1.755 -13.067 2.262 1.00 0.00 C ATOM 786 CE1 HIS A 52 3.072 -11.488 1.501 1.00 0.00 C ATOM 787 NE2 HIS A 52 3.057 -12.681 2.065 1.00 0.00 N ATOM 0 H HIS A 52 -2.968 -12.301 2.535 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.433 -11.640 3.881 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.960 -12.902 1.505 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.798 -11.246 0.955 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.421 -13.994 2.703 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.955 -10.930 1.226 1.00 0.00 H new ATOM 0 HE2 HIS A 52 3.881 -13.228 2.314 1.00 0.00 H new ATOM 796 N PRO A 53 -0.516 -9.131 3.662 1.00 0.00 N ATOM 797 CA PRO A 53 -0.648 -7.673 3.671 1.00 0.00 C ATOM 798 C PRO A 53 -0.084 -7.025 2.410 1.00 0.00 C ATOM 799 O PRO A 53 1.004 -7.376 1.952 1.00 0.00 O ATOM 800 CB PRO A 53 0.173 -7.267 4.892 1.00 0.00 C ATOM 801 CG PRO A 53 1.242 -8.301 4.981 1.00 0.00 C ATOM 802 CD PRO A 53 0.641 -9.582 4.462 1.00 0.00 C ATOM 0 HA PRO A 53 -1.690 -7.354 3.705 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.595 -6.269 4.773 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.439 -7.249 5.794 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.111 -8.013 4.390 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.582 -8.421 6.010 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.353 -10.141 3.855 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.333 -10.238 5.276 1.00 0.00 H new ATOM 810 N ILE A 54 -0.832 -6.073 1.859 1.00 0.00 N ATOM 811 CA ILE A 54 -0.413 -5.365 0.652 1.00 0.00 C ATOM 812 C ILE A 54 -0.765 -3.884 0.748 1.00 0.00 C ATOM 813 O ILE A 54 -1.813 -3.519 1.276 1.00 0.00 O ATOM 814 CB ILE A 54 -1.080 -5.946 -0.612 1.00 0.00 C ATOM 815 CG1 ILE A 54 -1.121 -7.474 -0.553 1.00 0.00 C ATOM 816 CG2 ILE A 54 -0.345 -5.481 -1.862 1.00 0.00 C ATOM 817 CD1 ILE A 54 0.246 -8.121 -0.555 1.00 0.00 C ATOM 0 H ILE A 54 -1.734 -5.773 2.230 1.00 0.00 H new ATOM 0 HA ILE A 54 0.667 -5.490 0.572 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.106 -5.580 -0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.656 -7.780 0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.690 -7.846 -1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.828 -5.900 -2.745 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.371 -4.393 -1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.691 -5.817 -1.821 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.136 -9.205 -0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.777 -7.847 -1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.812 -7.779 0.312 1.00 0.00 H new ATOM 829 N VAL A 55 0.112 -3.033 0.228 1.00 0.00 N ATOM 830 CA VAL A 55 -0.119 -1.593 0.253 1.00 0.00 C ATOM 831 C VAL A 55 -0.078 -1.018 -1.158 1.00 0.00 C ATOM 832 O VAL A 55 0.785 -1.376 -1.959 1.00 0.00 O ATOM 833 CB VAL A 55 0.927 -0.869 1.124 1.00 0.00 C ATOM 834 CG1 VAL A 55 0.599 0.613 1.237 1.00 0.00 C ATOM 835 CG2 VAL A 55 1.008 -1.510 2.503 1.00 0.00 C ATOM 0 H VAL A 55 0.987 -3.314 -0.215 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.107 -1.432 0.685 1.00 0.00 H new ATOM 0 HB VAL A 55 1.901 -0.965 0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.349 1.106 1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.596 1.062 0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.384 0.734 1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.751 -0.986 3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.036 -1.446 2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.295 -2.557 2.401 1.00 0.00 H new ATOM 845 N VAL A 56 -1.018 -0.128 -1.462 1.00 0.00 N ATOM 846 CA VAL A 56 -1.080 0.484 -2.783 1.00 0.00 C ATOM 847 C VAL A 56 -0.990 2.007 -2.697 1.00 0.00 C ATOM 848 O VAL A 56 -1.266 2.599 -1.653 1.00 0.00 O ATOM 849 CB VAL A 56 -2.373 0.094 -3.520 1.00 0.00 C ATOM 850 CG1 VAL A 56 -2.381 0.651 -4.935 1.00 0.00 C ATOM 851 CG2 VAL A 56 -2.545 -1.416 -3.537 1.00 0.00 C ATOM 0 H VAL A 56 -1.743 0.183 -0.815 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.224 0.109 -3.344 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.214 0.530 -2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.305 0.361 -5.435 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.314 1.738 -4.898 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.530 0.253 -5.487 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.465 -1.671 -4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.697 -1.873 -4.047 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.597 -1.788 -2.514 1.00 0.00 H new ATOM 861 N VAL A 57 -0.596 2.630 -3.804 1.00 0.00 N ATOM 862 CA VAL A 57 -0.456 4.081 -3.872 1.00 0.00 C ATOM 863 C VAL A 57 -0.668 4.573 -5.303 1.00 0.00 C ATOM 864 O VAL A 57 -1.023 3.795 -6.187 1.00 0.00 O ATOM 865 CB VAL A 57 0.938 4.539 -3.385 1.00 0.00 C ATOM 866 CG1 VAL A 57 0.863 5.921 -2.751 1.00 0.00 C ATOM 867 CG2 VAL A 57 1.530 3.537 -2.403 1.00 0.00 C ATOM 0 H VAL A 57 -0.366 2.148 -4.673 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.215 4.509 -3.218 1.00 0.00 H new ATOM 0 HB VAL A 57 1.593 4.593 -4.255 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.856 6.222 -2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.495 6.638 -3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.185 5.894 -1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.510 3.884 -2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.872 3.442 -1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.632 2.567 -2.890 1.00 0.00 H new ATOM 877 N GLN A 58 -0.446 5.865 -5.529 1.00 0.00 N ATOM 878 CA GLN A 58 -0.610 6.447 -6.856 1.00 0.00 C ATOM 879 C GLN A 58 -0.155 7.906 -6.870 1.00 0.00 C ATOM 880 O GLN A 58 -0.951 8.815 -6.634 1.00 0.00 O ATOM 881 CB GLN A 58 -2.069 6.349 -7.302 1.00 0.00 C ATOM 882 CG GLN A 58 -2.239 5.758 -8.693 1.00 0.00 C ATOM 883 CD GLN A 58 -1.858 6.731 -9.791 1.00 0.00 C ATOM 884 OE1 GLN A 58 -2.670 7.766 -9.972 1.00 0.00 O flip ATOM 885 NE2 GLN A 58 -0.845 6.556 -10.468 1.00 0.00 N flip ATOM 0 H GLN A 58 -0.153 6.527 -4.811 1.00 0.00 H new ATOM 0 HA GLN A 58 0.012 5.885 -7.552 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.619 5.738 -6.586 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.515 7.343 -7.281 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.627 4.860 -8.780 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.276 5.451 -8.829 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.249 5.746 -10.295 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.601 7.221 -11.202 1.00 0.00 H new ATOM 894 N PRO A 59 1.137 8.147 -7.148 1.00 0.00 N ATOM 895 CA PRO A 59 1.695 9.503 -7.192 1.00 0.00 C ATOM 896 C PRO A 59 1.170 10.306 -8.378 1.00 0.00 C ATOM 897 O PRO A 59 1.813 10.381 -9.425 1.00 0.00 O ATOM 898 CB PRO A 59 3.201 9.266 -7.330 1.00 0.00 C ATOM 899 CG PRO A 59 3.318 7.922 -7.961 1.00 0.00 C ATOM 900 CD PRO A 59 2.156 7.121 -7.442 1.00 0.00 C ATOM 0 HA PRO A 59 1.422 10.084 -6.311 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.668 10.034 -7.946 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.696 9.292 -6.359 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.287 7.997 -9.048 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.265 7.450 -7.701 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.801 6.403 -8.181 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.425 6.555 -6.550 1.00 0.00 H new ATOM 908 N ASP A 60 -0.004 10.907 -8.205 1.00 0.00 N ATOM 909 CA ASP A 60 -0.616 11.706 -9.261 1.00 0.00 C ATOM 910 C ASP A 60 -1.450 12.838 -8.672 1.00 0.00 C ATOM 911 O ASP A 60 -1.354 13.986 -9.106 1.00 0.00 O ATOM 912 CB ASP A 60 -1.490 10.826 -10.156 1.00 0.00 C ATOM 913 CG ASP A 60 -1.471 11.276 -11.603 1.00 0.00 C ATOM 914 OD1 ASP A 60 -0.365 11.408 -12.169 1.00 0.00 O ATOM 915 OD2 ASP A 60 -2.561 11.498 -12.171 1.00 0.00 O ATOM 0 H ASP A 60 -0.549 10.856 -7.345 1.00 0.00 H new ATOM 0 HA ASP A 60 0.183 12.141 -9.861 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.145 9.794 -10.095 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.515 10.842 -9.787 1.00 0.00 H new ATOM 1054 N ALA A 70 8.461 7.416 3.188 1.00 0.00 N ATOM 1055 CA ALA A 70 7.754 7.069 4.415 1.00 0.00 C ATOM 1056 C ALA A 70 6.709 5.979 4.174 1.00 0.00 C ATOM 1057 O ALA A 70 6.138 5.437 5.120 1.00 0.00 O ATOM 1058 CB ALA A 70 7.099 8.308 5.011 1.00 0.00 C ATOM 0 HA ALA A 70 8.485 6.675 5.122 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.574 8.037 5.927 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.864 9.051 5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.390 8.724 4.296 1.00 0.00 H new ATOM 1064 N ILE A 71 6.461 5.663 2.905 1.00 0.00 N ATOM 1065 CA ILE A 71 5.484 4.638 2.552 1.00 0.00 C ATOM 1066 C ILE A 71 5.921 3.268 3.059 1.00 0.00 C ATOM 1067 O ILE A 71 5.134 2.539 3.663 1.00 0.00 O ATOM 1068 CB ILE A 71 5.267 4.567 1.027 1.00 0.00 C ATOM 1069 CG1 ILE A 71 5.172 5.976 0.431 1.00 0.00 C ATOM 1070 CG2 ILE A 71 4.012 3.769 0.711 1.00 0.00 C ATOM 1071 CD1 ILE A 71 4.212 6.887 1.166 1.00 0.00 C ATOM 0 H ILE A 71 6.922 6.101 2.107 1.00 0.00 H new ATOM 0 HA ILE A 71 4.545 4.917 3.030 1.00 0.00 H new ATOM 0 HB ILE A 71 6.122 4.062 0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.163 6.429 0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.860 5.899 -0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.870 3.726 -0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.116 2.757 1.104 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.149 4.250 1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.199 7.865 0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.211 6.457 1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.534 6.995 2.202 1.00 0.00 H new ATOM 1083 N GLY A 72 7.182 2.928 2.815 1.00 0.00 N ATOM 1084 CA GLY A 72 7.704 1.649 3.259 1.00 0.00 C ATOM 1085 C GLY A 72 8.156 1.681 4.706 1.00 0.00 C ATOM 1086 O GLY A 72 8.192 0.649 5.376 1.00 0.00 O ATOM 0 H GLY A 72 7.852 3.515 2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.937 0.884 3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.543 1.362 2.625 1.00 0.00 H new ATOM 1090 N GLN A 73 8.501 2.871 5.190 1.00 0.00 N ATOM 1091 CA GLN A 73 8.953 3.037 6.567 1.00 0.00 C ATOM 1092 C GLN A 73 7.772 3.068 7.536 1.00 0.00 C ATOM 1093 O GLN A 73 7.944 2.882 8.740 1.00 0.00 O ATOM 1094 CB GLN A 73 9.771 4.322 6.703 1.00 0.00 C ATOM 1095 CG GLN A 73 10.903 4.219 7.713 1.00 0.00 C ATOM 1096 CD GLN A 73 11.773 5.460 7.740 1.00 0.00 C ATOM 1097 OE1 GLN A 73 11.386 6.515 7.236 1.00 0.00 O ATOM 1098 NE2 GLN A 73 12.957 5.341 8.331 1.00 0.00 N ATOM 0 H GLN A 73 8.476 3.735 4.648 1.00 0.00 H new ATOM 0 HA GLN A 73 9.580 2.182 6.820 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.186 4.583 5.730 1.00 0.00 H new ATOM 0 HB3 GLN A 73 9.108 5.136 6.995 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.485 4.051 8.706 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.520 3.352 7.475 1.00 0.00 H new ATOM 0 HE21 GLN A 73 13.238 4.448 8.736 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.585 6.143 8.380 1.00 0.00 H new ATOM 1107 N MET A 74 6.574 3.304 7.006 1.00 0.00 N ATOM 1108 CA MET A 74 5.373 3.357 7.832 1.00 0.00 C ATOM 1109 C MET A 74 4.681 1.999 7.873 1.00 0.00 C ATOM 1110 O MET A 74 4.090 1.623 8.884 1.00 0.00 O ATOM 1111 CB MET A 74 4.406 4.416 7.297 1.00 0.00 C ATOM 1112 CG MET A 74 4.691 5.817 7.816 1.00 0.00 C ATOM 1113 SD MET A 74 4.258 7.100 6.624 1.00 0.00 S ATOM 1114 CE MET A 74 2.483 7.187 6.850 1.00 0.00 C ATOM 0 H MET A 74 6.411 3.461 6.011 1.00 0.00 H new ATOM 0 HA MET A 74 5.672 3.625 8.845 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.455 4.424 6.208 1.00 0.00 H new ATOM 0 HB3 MET A 74 3.388 4.137 7.568 1.00 0.00 H new ATOM 0 HG2 MET A 74 4.133 5.979 8.738 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.749 5.900 8.065 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.067 7.939 6.180 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.040 6.217 6.626 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.260 7.458 7.882 1.00 0.00 H new ATOM 1124 N CYS A 75 4.760 1.267 6.766 1.00 0.00 N ATOM 1125 CA CYS A 75 4.143 -0.050 6.676 1.00 0.00 C ATOM 1126 C CYS A 75 5.177 -1.114 6.325 1.00 0.00 C ATOM 1127 O CYS A 75 6.207 -0.817 5.720 1.00 0.00 O ATOM 1128 CB CYS A 75 3.028 -0.043 5.630 1.00 0.00 C ATOM 1129 SG CYS A 75 2.163 -1.621 5.464 1.00 0.00 S ATOM 0 H CYS A 75 5.245 1.564 5.920 1.00 0.00 H new ATOM 0 HA CYS A 75 3.718 -0.291 7.650 1.00 0.00 H new ATOM 0 HB2 CYS A 75 2.305 0.730 5.890 1.00 0.00 H new ATOM 0 HB3 CYS A 75 3.452 0.230 4.664 1.00 0.00 H new ATOM 0 HG CYS A 75 1.621 -1.940 6.602 1.00 0.00 H new ATOM 1135 N GLU A 76 4.896 -2.355 6.709 1.00 0.00 N ATOM 1136 CA GLU A 76 5.803 -3.464 6.435 1.00 0.00 C ATOM 1137 C GLU A 76 5.250 -4.353 5.325 1.00 0.00 C ATOM 1138 O GLU A 76 5.487 -5.562 5.310 1.00 0.00 O ATOM 1139 CB GLU A 76 6.031 -4.290 7.702 1.00 0.00 C ATOM 1140 CG GLU A 76 4.763 -4.925 8.252 1.00 0.00 C ATOM 1141 CD GLU A 76 4.613 -4.728 9.747 1.00 0.00 C ATOM 1142 OE1 GLU A 76 5.100 -3.701 10.263 1.00 0.00 O ATOM 1143 OE2 GLU A 76 4.007 -5.602 10.403 1.00 0.00 O ATOM 0 H GLU A 76 4.048 -2.618 7.211 1.00 0.00 H new ATOM 0 HA GLU A 76 6.756 -3.050 6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.757 -5.075 7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.469 -3.651 8.468 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.898 -4.498 7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.769 -5.992 8.029 1.00 0.00 H new ATOM 1150 N ALA A 77 4.515 -3.748 4.399 1.00 0.00 N ATOM 1151 CA ALA A 77 3.930 -4.483 3.284 1.00 0.00 C ATOM 1152 C ALA A 77 4.431 -3.943 1.946 1.00 0.00 C ATOM 1153 O ALA A 77 5.057 -2.885 1.891 1.00 0.00 O ATOM 1154 CB ALA A 77 2.411 -4.420 3.350 1.00 0.00 C ATOM 0 H ALA A 77 4.310 -2.749 4.398 1.00 0.00 H new ATOM 0 HA ALA A 77 4.242 -5.525 3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.987 -4.973 2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 77 2.069 -4.862 4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.087 -3.380 3.300 1.00 0.00 H new ATOM 1160 N PRO A 78 4.161 -4.667 0.847 1.00 0.00 N ATOM 1161 CA PRO A 78 4.590 -4.258 -0.493 1.00 0.00 C ATOM 1162 C PRO A 78 3.782 -3.081 -1.033 1.00 0.00 C ATOM 1163 O PRO A 78 2.561 -3.158 -1.160 1.00 0.00 O ATOM 1164 CB PRO A 78 4.341 -5.505 -1.340 1.00 0.00 C ATOM 1165 CG PRO A 78 3.237 -6.221 -0.642 1.00 0.00 C ATOM 1166 CD PRO A 78 3.422 -5.944 0.826 1.00 0.00 C ATOM 0 HA PRO A 78 5.625 -3.917 -0.500 1.00 0.00 H new ATOM 0 HB2 PRO A 78 4.060 -5.242 -2.360 1.00 0.00 H new ATOM 0 HB3 PRO A 78 5.236 -6.124 -1.406 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.265 -5.868 -0.986 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.277 -7.291 -0.845 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.466 -5.862 1.342 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.982 -6.740 1.317 1.00 0.00 H new ATOM 1174 N VAL A 79 4.478 -1.996 -1.355 1.00 0.00 N ATOM 1175 CA VAL A 79 3.834 -0.802 -1.890 1.00 0.00 C ATOM 1176 C VAL A 79 3.735 -0.880 -3.411 1.00 0.00 C ATOM 1177 O VAL A 79 4.740 -1.083 -4.091 1.00 0.00 O ATOM 1178 CB VAL A 79 4.609 0.473 -1.503 1.00 0.00 C ATOM 1179 CG1 VAL A 79 3.813 1.714 -1.866 1.00 0.00 C ATOM 1180 CG2 VAL A 79 4.950 0.465 -0.021 1.00 0.00 C ATOM 0 H VAL A 79 5.490 -1.919 -1.255 1.00 0.00 H new ATOM 0 HA VAL A 79 2.834 -0.753 -1.459 1.00 0.00 H new ATOM 0 HB VAL A 79 5.542 0.491 -2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.377 2.603 -1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.628 1.726 -2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.862 1.705 -1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.497 1.373 0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.031 0.420 0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.567 -0.405 0.206 1.00 0.00 H new ATOM 1190 N VAL A 80 2.525 -0.724 -3.945 1.00 0.00 N ATOM 1191 CA VAL A 80 2.329 -0.789 -5.389 1.00 0.00 C ATOM 1192 C VAL A 80 1.275 0.209 -5.853 1.00 0.00 C ATOM 1193 O VAL A 80 0.667 0.902 -5.045 1.00 0.00 O ATOM 1194 CB VAL A 80 1.904 -2.201 -5.836 1.00 0.00 C ATOM 1195 CG1 VAL A 80 3.010 -3.207 -5.561 1.00 0.00 C ATOM 1196 CG2 VAL A 80 0.614 -2.615 -5.144 1.00 0.00 C ATOM 0 H VAL A 80 1.676 -0.554 -3.406 1.00 0.00 H new ATOM 0 HA VAL A 80 3.288 -0.539 -5.844 1.00 0.00 H new ATOM 0 HB VAL A 80 1.724 -2.181 -6.911 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.689 -4.197 -5.884 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.908 -2.920 -6.109 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.227 -3.226 -4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.330 -3.615 -5.472 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.765 -2.617 -4.064 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.178 -1.911 -5.399 1.00 0.00 H new ATOM 1206 N THR A 81 1.063 0.271 -7.161 1.00 0.00 N ATOM 1207 CA THR A 81 0.075 1.176 -7.732 1.00 0.00 C ATOM 1208 C THR A 81 -1.225 0.430 -8.015 1.00 0.00 C ATOM 1209 O THR A 81 -1.263 -0.799 -7.988 1.00 0.00 O ATOM 1210 CB THR A 81 0.608 1.808 -9.018 1.00 0.00 C ATOM 1211 OG1 THR A 81 0.551 0.886 -10.092 1.00 0.00 O ATOM 1212 CG2 THR A 81 2.037 2.291 -8.902 1.00 0.00 C ATOM 0 H THR A 81 1.563 -0.295 -7.847 1.00 0.00 H new ATOM 0 HA THR A 81 -0.124 1.968 -7.010 1.00 0.00 H new ATOM 0 HB THR A 81 -0.034 2.669 -9.203 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.895 1.310 -10.906 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.351 2.728 -9.850 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.104 3.043 -8.116 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.686 1.451 -8.657 1.00 0.00 H new ATOM 1220 N ARG A 82 -2.290 1.178 -8.282 1.00 0.00 N ATOM 1221 CA ARG A 82 -3.591 0.573 -8.565 1.00 0.00 C ATOM 1222 C ARG A 82 -3.520 -0.360 -9.773 1.00 0.00 C ATOM 1223 O ARG A 82 -4.394 -1.207 -9.959 1.00 0.00 O ATOM 1224 CB ARG A 82 -4.665 1.646 -8.793 1.00 0.00 C ATOM 1225 CG ARG A 82 -4.134 2.956 -9.355 1.00 0.00 C ATOM 1226 CD ARG A 82 -5.219 3.726 -10.092 1.00 0.00 C ATOM 1227 NE ARG A 82 -5.274 3.373 -11.510 1.00 0.00 N ATOM 1228 CZ ARG A 82 -4.429 3.845 -12.424 1.00 0.00 C ATOM 1229 NH1 ARG A 82 -3.464 4.688 -12.074 1.00 0.00 N ATOM 1230 NH2 ARG A 82 -4.548 3.475 -13.691 1.00 0.00 N ATOM 0 H ARG A 82 -2.281 2.198 -8.309 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.868 -0.016 -7.691 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.418 1.250 -9.475 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.167 1.847 -7.847 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.739 3.568 -8.544 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.305 2.753 -10.034 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.185 3.523 -9.630 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.036 4.796 -9.992 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.002 2.728 -11.817 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -3.367 4.977 -11.101 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -2.819 5.046 -12.779 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -5.287 2.828 -13.966 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -3.900 3.837 -14.391 1.00 0.00 H new ATOM 1244 N GLU A 83 -2.478 -0.209 -10.591 1.00 0.00 N ATOM 1245 CA GLU A 83 -2.309 -1.051 -11.773 1.00 0.00 C ATOM 1246 C GLU A 83 -2.454 -2.526 -11.412 1.00 0.00 C ATOM 1247 O GLU A 83 -3.180 -3.267 -12.071 1.00 0.00 O ATOM 1248 CB GLU A 83 -0.945 -0.799 -12.419 1.00 0.00 C ATOM 1249 CG GLU A 83 -0.969 0.285 -13.485 1.00 0.00 C ATOM 1250 CD GLU A 83 0.287 0.295 -14.334 1.00 0.00 C ATOM 1251 OE1 GLU A 83 0.918 -0.774 -14.475 1.00 0.00 O ATOM 1252 OE2 GLU A 83 0.641 1.373 -14.858 1.00 0.00 O ATOM 0 H GLU A 83 -1.743 0.485 -10.457 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.090 -0.792 -12.488 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.231 -0.520 -11.644 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.586 -1.727 -12.864 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.837 0.138 -14.128 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.088 1.257 -13.007 1.00 0.00 H new ATOM 1259 N TRP A 84 -1.769 -2.942 -10.351 1.00 0.00 N ATOM 1260 CA TRP A 84 -1.835 -4.325 -9.889 1.00 0.00 C ATOM 1261 C TRP A 84 -3.283 -4.762 -9.741 1.00 0.00 C ATOM 1262 O TRP A 84 -3.725 -5.736 -10.348 1.00 0.00 O ATOM 1263 CB TRP A 84 -1.127 -4.454 -8.541 1.00 0.00 C ATOM 1264 CG TRP A 84 -1.149 -5.843 -7.981 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -0.442 -6.923 -8.427 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -1.922 -6.301 -6.867 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -0.729 -8.025 -7.655 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -1.636 -7.667 -6.692 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -2.829 -5.685 -6.001 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -2.226 -8.428 -5.684 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -3.413 -6.440 -5.002 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -3.110 -7.799 -4.850 1.00 0.00 C ATOM 0 H TRP A 84 -1.161 -2.341 -9.794 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.343 -4.963 -10.623 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.091 -4.133 -8.652 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.596 -3.776 -7.828 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.242 -6.913 -9.263 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -0.332 -8.956 -7.779 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -3.069 -4.638 -6.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -1.994 -9.476 -5.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -4.115 -5.974 -4.327 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.583 -8.362 -4.059 1.00 0.00 H new ATOM 1283 N VAL A 85 -4.009 -4.017 -8.923 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.418 -4.291 -8.670 1.00 0.00 C ATOM 1285 C VAL A 85 -6.209 -4.371 -9.971 1.00 0.00 C ATOM 1286 O VAL A 85 -6.969 -5.314 -10.192 1.00 0.00 O ATOM 1287 CB VAL A 85 -6.043 -3.209 -7.764 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -7.520 -3.489 -7.525 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -5.291 -3.120 -6.445 1.00 0.00 C ATOM 0 H VAL A 85 -3.643 -3.210 -8.418 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.468 -5.255 -8.163 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.961 -2.248 -8.272 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.938 -2.713 -6.884 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.048 -3.496 -8.479 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.633 -4.459 -7.041 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.745 -2.352 -5.818 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.339 -4.081 -5.933 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.249 -2.863 -6.637 1.00 0.00 H new ATOM 1299 N LEU A 86 -6.025 -3.377 -10.829 1.00 0.00 N ATOM 1300 CA LEU A 86 -6.720 -3.334 -12.110 1.00 0.00 C ATOM 1301 C LEU A 86 -6.322 -4.519 -12.983 1.00 0.00 C ATOM 1302 O LEU A 86 -7.175 -5.226 -13.520 1.00 0.00 O ATOM 1303 CB LEU A 86 -6.418 -2.020 -12.835 1.00 0.00 C ATOM 1304 CG LEU A 86 -7.645 -1.156 -13.147 1.00 0.00 C ATOM 1305 CD1 LEU A 86 -7.441 0.267 -12.650 1.00 0.00 C ATOM 1306 CD2 LEU A 86 -7.937 -1.162 -14.641 1.00 0.00 C ATOM 0 H LEU A 86 -5.400 -2.589 -10.662 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.791 -3.393 -11.918 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.727 -1.437 -12.226 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.905 -2.248 -13.770 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.503 -1.581 -12.626 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.324 0.863 -12.882 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.283 0.257 -11.572 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.570 0.702 -13.140 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.811 -0.543 -14.843 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.078 -0.764 -15.181 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.131 -2.183 -14.970 1.00 0.00 H new ATOM 1318 N ASP A 87 -5.017 -4.731 -13.117 1.00 0.00 N ATOM 1319 CA ASP A 87 -4.498 -5.829 -13.920 1.00 0.00 C ATOM 1320 C ASP A 87 -4.952 -7.172 -13.357 1.00 0.00 C ATOM 1321 O ASP A 87 -5.166 -8.129 -14.101 1.00 0.00 O ATOM 1322 CB ASP A 87 -2.969 -5.769 -13.968 1.00 0.00 C ATOM 1323 CG ASP A 87 -2.378 -6.765 -14.948 1.00 0.00 C ATOM 1324 OD1 ASP A 87 -2.887 -7.902 -15.020 1.00 0.00 O ATOM 1325 OD2 ASP A 87 -1.404 -6.405 -15.644 1.00 0.00 O ATOM 0 H ASP A 87 -4.299 -4.155 -12.678 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.890 -5.730 -14.932 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.657 -4.762 -14.246 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.570 -5.963 -12.973 1.00 0.00 H new ATOM 1330 N SER A 88 -5.100 -7.234 -12.038 1.00 0.00 N ATOM 1331 CA SER A 88 -5.531 -8.460 -11.374 1.00 0.00 C ATOM 1332 C SER A 88 -7.033 -8.672 -11.537 1.00 0.00 C ATOM 1333 O SER A 88 -7.481 -9.770 -11.863 1.00 0.00 O ATOM 1334 CB SER A 88 -5.171 -8.420 -9.889 1.00 0.00 C ATOM 1335 OG SER A 88 -3.766 -8.390 -9.704 1.00 0.00 O ATOM 0 H SER A 88 -4.928 -6.451 -11.408 1.00 0.00 H new ATOM 0 HA SER A 88 -5.011 -9.294 -11.844 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.620 -7.541 -9.426 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.588 -9.293 -9.387 1.00 0.00 H new ATOM 0 HG SER A 88 -3.430 -7.490 -9.897 1.00 0.00 H new ATOM 1341 N VAL A 89 -7.806 -7.615 -11.306 1.00 0.00 N ATOM 1342 CA VAL A 89 -9.257 -7.691 -11.425 1.00 0.00 C ATOM 1343 C VAL A 89 -9.689 -7.815 -12.884 1.00 0.00 C ATOM 1344 O VAL A 89 -10.737 -8.387 -13.185 1.00 0.00 O ATOM 1345 CB VAL A 89 -9.939 -6.455 -10.803 1.00 0.00 C ATOM 1346 CG1 VAL A 89 -11.453 -6.617 -10.804 1.00 0.00 C ATOM 1347 CG2 VAL A 89 -9.424 -6.212 -9.392 1.00 0.00 C ATOM 0 H VAL A 89 -7.452 -6.697 -11.036 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.569 -8.583 -10.881 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.690 -5.586 -11.412 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.914 -5.734 -10.361 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.806 -6.735 -11.829 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.725 -7.498 -10.223 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.917 -5.336 -8.971 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.638 -7.082 -8.772 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.348 -6.043 -9.422 1.00 0.00 H new ATOM 1357 N ALA A 90 -8.875 -7.276 -13.787 1.00 0.00 N ATOM 1358 CA ALA A 90 -9.177 -7.327 -15.213 1.00 0.00 C ATOM 1359 C ALA A 90 -9.096 -8.754 -15.744 1.00 0.00 C ATOM 1360 O ALA A 90 -10.057 -9.272 -16.313 1.00 0.00 O ATOM 1361 CB ALA A 90 -8.232 -6.420 -15.984 1.00 0.00 C ATOM 0 H ALA A 90 -8.003 -6.800 -13.557 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.199 -6.975 -15.355 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.468 -6.468 -17.047 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.345 -5.394 -15.633 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.204 -6.747 -15.826 1.00 0.00 H new ATOM 1367 N LEU A 91 -7.941 -9.383 -15.558 1.00 0.00 N ATOM 1368 CA LEU A 91 -7.730 -10.751 -16.020 1.00 0.00 C ATOM 1369 C LEU A 91 -8.043 -11.767 -14.920 1.00 0.00 C ATOM 1370 O LEU A 91 -7.992 -12.976 -15.152 1.00 0.00 O ATOM 1371 CB LEU A 91 -6.286 -10.925 -16.498 1.00 0.00 C ATOM 1372 CG LEU A 91 -5.906 -12.349 -16.911 1.00 0.00 C ATOM 1373 CD1 LEU A 91 -5.053 -12.330 -18.172 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -5.171 -13.054 -15.780 1.00 0.00 C ATOM 0 H LEU A 91 -7.135 -8.968 -15.090 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.412 -10.934 -16.850 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.118 -10.260 -17.345 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.615 -10.603 -15.702 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.821 -12.901 -17.124 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.792 -13.351 -18.450 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.613 -11.864 -18.983 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.142 -11.761 -17.987 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.909 -14.065 -16.091 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.263 -12.502 -15.536 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.814 -13.100 -14.901 1.00 0.00 H new ATOM 1386 N TYR A 92 -8.362 -11.275 -13.726 1.00 0.00 N ATOM 1387 CA TYR A 92 -8.677 -12.148 -12.600 1.00 0.00 C ATOM 1388 C TYR A 92 -7.508 -13.080 -12.292 1.00 0.00 C ATOM 1389 O TYR A 92 -7.510 -14.246 -12.685 1.00 0.00 O ATOM 1390 CB TYR A 92 -9.940 -12.964 -12.893 1.00 0.00 C ATOM 1391 CG TYR A 92 -11.100 -12.647 -11.975 1.00 0.00 C ATOM 1392 CD1 TYR A 92 -10.899 -12.388 -10.624 1.00 0.00 C ATOM 1393 CD2 TYR A 92 -12.401 -12.607 -12.464 1.00 0.00 C ATOM 1394 CE1 TYR A 92 -11.960 -12.100 -9.787 1.00 0.00 C ATOM 1395 CE2 TYR A 92 -13.467 -12.319 -11.632 1.00 0.00 C ATOM 1396 CZ TYR A 92 -13.241 -12.067 -10.296 1.00 0.00 C ATOM 1397 OH TYR A 92 -14.300 -11.780 -9.464 1.00 0.00 O ATOM 0 H TYR A 92 -8.409 -10.278 -13.514 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.858 -11.522 -11.726 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -10.246 -12.785 -13.924 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.703 -14.025 -12.810 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.897 -12.412 -10.222 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.582 -12.804 -13.510 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.787 -11.902 -8.740 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -14.472 -12.292 -12.027 1.00 0.00 H new ATOM 0 HH TYR A 92 -15.134 -11.795 -9.979 1.00 0.00 H new ATOM 1407 N GLN A 93 -6.510 -12.556 -11.587 1.00 0.00 N ATOM 1408 CA GLN A 93 -5.335 -13.340 -11.226 1.00 0.00 C ATOM 1409 C GLN A 93 -4.357 -12.507 -10.404 1.00 0.00 C ATOM 1410 O GLN A 93 -4.165 -11.319 -10.665 1.00 0.00 O ATOM 1411 CB GLN A 93 -4.640 -13.867 -12.485 1.00 0.00 C ATOM 1412 CG GLN A 93 -4.127 -15.292 -12.344 1.00 0.00 C ATOM 1413 CD GLN A 93 -4.400 -16.134 -13.575 1.00 0.00 C ATOM 1414 OE1 GLN A 93 -4.511 -15.614 -14.685 1.00 0.00 O ATOM 1415 NE2 GLN A 93 -4.513 -17.443 -13.383 1.00 0.00 N ATOM 0 H GLN A 93 -6.492 -11.592 -11.255 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.665 -14.184 -10.621 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.338 -13.822 -13.321 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.805 -13.211 -12.731 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.054 -15.271 -12.153 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.596 -15.759 -11.478 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -4.414 -17.831 -12.445 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -4.699 -18.060 -14.173 1.00 0.00 H new ATOM 1424 N CYS A 94 -3.741 -13.138 -9.408 1.00 0.00 N ATOM 1425 CA CYS A 94 -2.783 -12.454 -8.547 1.00 0.00 C ATOM 1426 C CYS A 94 -1.537 -12.056 -9.331 1.00 0.00 C ATOM 1427 O CYS A 94 -0.528 -12.761 -9.313 1.00 0.00 O ATOM 1428 CB CYS A 94 -2.394 -13.350 -7.370 1.00 0.00 C ATOM 1429 SG CYS A 94 -1.432 -12.510 -6.090 1.00 0.00 S ATOM 0 H CYS A 94 -3.888 -14.121 -9.178 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.256 -11.549 -8.165 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -3.301 -13.756 -6.921 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.818 -14.196 -7.746 1.00 0.00 H new ATOM 0 HG CYS A 94 -1.153 -13.348 -5.137 1.00 0.00 H new ATOM 1435 N GLN A 95 -1.615 -10.922 -10.020 1.00 0.00 N ATOM 1436 CA GLN A 95 -0.493 -10.429 -10.812 1.00 0.00 C ATOM 1437 C GLN A 95 0.703 -10.112 -9.919 1.00 0.00 C ATOM 1438 O GLN A 95 0.571 -10.014 -8.700 1.00 0.00 O ATOM 1439 CB GLN A 95 -0.904 -9.182 -11.596 1.00 0.00 C ATOM 1440 CG GLN A 95 -2.160 -9.374 -12.430 1.00 0.00 C ATOM 1441 CD GLN A 95 -1.986 -10.422 -13.512 1.00 0.00 C ATOM 1442 OE1 GLN A 95 -2.648 -11.461 -13.499 1.00 0.00 O ATOM 1443 NE2 GLN A 95 -1.093 -10.155 -14.458 1.00 0.00 N ATOM 0 H GLN A 95 -2.443 -10.327 -10.046 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.203 -11.211 -11.514 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.064 -8.360 -10.898 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.084 -8.889 -12.251 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.984 -9.663 -11.778 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.435 -8.425 -12.889 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.566 -9.282 -14.430 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.934 -10.823 -15.212 1.00 0.00 H new ATOM 1452 N GLU A 96 1.869 -9.954 -10.537 1.00 0.00 N ATOM 1453 CA GLU A 96 3.088 -9.648 -9.798 1.00 0.00 C ATOM 1454 C GLU A 96 3.092 -8.195 -9.333 1.00 0.00 C ATOM 1455 O GLU A 96 2.661 -7.299 -10.059 1.00 0.00 O ATOM 1456 CB GLU A 96 4.319 -9.923 -10.664 1.00 0.00 C ATOM 1457 CG GLU A 96 4.230 -9.323 -12.057 1.00 0.00 C ATOM 1458 CD GLU A 96 4.079 -10.376 -13.138 1.00 0.00 C ATOM 1459 OE1 GLU A 96 2.976 -10.951 -13.257 1.00 0.00 O ATOM 1460 OE2 GLU A 96 5.064 -10.627 -13.864 1.00 0.00 O ATOM 0 H GLU A 96 1.995 -10.033 -11.546 1.00 0.00 H new ATOM 0 HA GLU A 96 3.121 -10.292 -8.919 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.202 -9.526 -10.162 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.459 -11.001 -10.750 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.382 -8.639 -12.100 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.126 -8.733 -12.252 1.00 0.00 H new ATOM 1467 N LEU A 97 3.579 -7.970 -8.117 1.00 0.00 N ATOM 1468 CA LEU A 97 3.639 -6.626 -7.552 1.00 0.00 C ATOM 1469 C LEU A 97 4.940 -5.930 -7.933 1.00 0.00 C ATOM 1470 O LEU A 97 4.985 -4.708 -8.071 1.00 0.00 O ATOM 1471 CB LEU A 97 3.507 -6.688 -6.030 1.00 0.00 C ATOM 1472 CG LEU A 97 2.073 -6.765 -5.509 1.00 0.00 C ATOM 1473 CD1 LEU A 97 1.615 -8.212 -5.418 1.00 0.00 C ATOM 1474 CD2 LEU A 97 1.958 -6.081 -4.156 1.00 0.00 C ATOM 0 H LEU A 97 3.938 -8.701 -7.503 1.00 0.00 H new ATOM 0 HA LEU A 97 2.809 -6.049 -7.961 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.056 -7.557 -5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.986 -5.807 -5.603 1.00 0.00 H new ATOM 0 HG LEU A 97 1.424 -6.243 -6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.591 -8.247 -5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.657 -8.670 -6.406 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.268 -8.758 -4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.929 -6.146 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.620 -6.572 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.243 -5.033 -4.253 1.00 0.00 H new ATOM 1486 N ASP A 98 5.998 -6.717 -8.097 1.00 0.00 N ATOM 1487 CA ASP A 98 7.306 -6.181 -8.460 1.00 0.00 C ATOM 1488 C ASP A 98 7.216 -5.313 -9.712 1.00 0.00 C ATOM 1489 O ASP A 98 7.958 -4.341 -9.860 1.00 0.00 O ATOM 1490 CB ASP A 98 8.302 -7.320 -8.686 1.00 0.00 C ATOM 1491 CG ASP A 98 8.993 -7.748 -7.407 1.00 0.00 C ATOM 1492 OD1 ASP A 98 9.336 -6.864 -6.593 1.00 0.00 O ATOM 1493 OD2 ASP A 98 9.191 -8.966 -7.217 1.00 0.00 O ATOM 0 H ASP A 98 5.976 -7.730 -7.984 1.00 0.00 H new ATOM 0 HA ASP A 98 7.655 -5.559 -7.636 1.00 0.00 H new ATOM 0 HB2 ASP A 98 7.780 -8.175 -9.117 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.051 -7.005 -9.412 1.00 0.00 H new ATOM 1498 N THR A 99 6.304 -5.668 -10.610 1.00 0.00 N ATOM 1499 CA THR A 99 6.117 -4.921 -11.850 1.00 0.00 C ATOM 1500 C THR A 99 5.338 -3.628 -11.608 1.00 0.00 C ATOM 1501 O THR A 99 5.246 -2.778 -12.492 1.00 0.00 O ATOM 1502 CB THR A 99 5.390 -5.784 -12.883 1.00 0.00 C ATOM 1503 OG1 THR A 99 6.117 -6.970 -13.146 1.00 0.00 O ATOM 1504 CG2 THR A 99 5.172 -5.079 -14.205 1.00 0.00 C ATOM 0 H THR A 99 5.682 -6.469 -10.503 1.00 0.00 H new ATOM 0 HA THR A 99 7.103 -4.656 -12.233 1.00 0.00 H new ATOM 0 HB THR A 99 4.418 -6.005 -12.442 1.00 0.00 H new ATOM 0 HG1 THR A 99 5.724 -7.431 -13.917 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.652 -5.747 -14.892 1.00 0.00 H new ATOM 0 HG22 THR A 99 4.572 -4.183 -14.045 1.00 0.00 H new ATOM 0 HG23 THR A 99 6.135 -4.799 -14.631 1.00 0.00 H new ATOM 1512 N TYR A 100 4.781 -3.483 -10.408 1.00 0.00 N ATOM 1513 CA TYR A 100 4.016 -2.290 -10.061 1.00 0.00 C ATOM 1514 C TYR A 100 4.338 -1.838 -8.642 1.00 0.00 C ATOM 1515 O TYR A 100 3.494 -1.265 -7.954 1.00 0.00 O ATOM 1516 CB TYR A 100 2.515 -2.556 -10.199 1.00 0.00 C ATOM 1517 CG TYR A 100 2.149 -3.372 -11.419 1.00 0.00 C ATOM 1518 CD1 TYR A 100 2.314 -2.857 -12.698 1.00 0.00 C ATOM 1519 CD2 TYR A 100 1.641 -4.659 -11.290 1.00 0.00 C ATOM 1520 CE1 TYR A 100 1.981 -3.600 -13.815 1.00 0.00 C ATOM 1521 CE2 TYR A 100 1.308 -5.409 -12.402 1.00 0.00 C ATOM 1522 CZ TYR A 100 1.480 -4.875 -13.662 1.00 0.00 C ATOM 1523 OH TYR A 100 1.148 -5.617 -14.771 1.00 0.00 O ATOM 0 H TYR A 100 4.845 -4.175 -9.662 1.00 0.00 H new ATOM 0 HA TYR A 100 4.296 -1.495 -10.752 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.164 -3.076 -9.307 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.989 -1.602 -10.240 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.709 -1.860 -12.822 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.504 -5.080 -10.305 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.113 -3.184 -14.803 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.915 -6.408 -12.285 1.00 0.00 H new ATOM 0 HH TYR A 100 0.175 -5.730 -14.810 1.00 0.00 H new ATOM 1533 N LEU A 101 5.569 -2.100 -8.210 1.00 0.00 N ATOM 1534 CA LEU A 101 6.010 -1.724 -6.873 1.00 0.00 C ATOM 1535 C LEU A 101 6.772 -0.402 -6.906 1.00 0.00 C ATOM 1536 O LEU A 101 7.968 -0.370 -7.197 1.00 0.00 O ATOM 1537 CB LEU A 101 6.890 -2.827 -6.278 1.00 0.00 C ATOM 1538 CG LEU A 101 6.394 -3.409 -4.952 1.00 0.00 C ATOM 1539 CD1 LEU A 101 6.441 -4.930 -4.983 1.00 0.00 C ATOM 1540 CD2 LEU A 101 7.219 -2.874 -3.788 1.00 0.00 C ATOM 0 H LEU A 101 6.279 -2.572 -8.769 1.00 0.00 H new ATOM 0 HA LEU A 101 5.129 -1.596 -6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.972 -3.636 -7.004 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.894 -2.429 -6.129 1.00 0.00 H new ATOM 0 HG LEU A 101 5.359 -3.099 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.085 -5.325 -4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.806 -5.297 -5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.467 -5.259 -5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.850 -3.300 -2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.264 -3.151 -3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.133 -1.788 -3.750 1.00 0.00 H new