USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 659 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 Single : A 13 CYS SG : rot 180:sc= 0.0705 USER MOD Single : A 16 SER OG : rot 81:sc= 0.133 USER MOD Single : A 17 THR OG1 : rot 84:sc= 1.24 USER MOD Single : A 18 TYR OH : rot -81:sc= 0.411 USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 1.18 (180deg=1.05) USER MOD Single : A 29 LYS NZ :NH3+ 152:sc= 1.8 (180deg=1.21) USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= 1.1 (180deg=0.00546) USER MOD Single : A 33 TYR OH : rot 64:sc= 1.74 USER MOD Single : A 36 THR OG1 : rot -59:sc= 1.29 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00313 USER MOD Single : A 44 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.24) USER MOD Single : A 49 SER OG : rot -160:sc= -0.347 USER MOD Single : A 50 MET CE :methyl -173:sc= 0 (180deg=-0.0384) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -165:sc= -2.18 (180deg=-2.77) USER MOD Single : A 60 GLN : amide:sc= -0.624 X(o=-0.62,f=-0.35) USER MOD Single : A 64 THR OG1 : rot 115:sc= 1.27 USER MOD Single : A 65 HIS :FLIP no HE2:sc= -0.118 F(o=-1.1,f=-0.12) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 109:sc= 1.31 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.025 F(o=-0.97,f=-0.025) USER MOD Single : A 85 LYS NZ :NH3+ -175:sc= 1.15 (180deg=1.01) USER MOD ----------------------------------------------------------------- ATOM 154 N GLY A 11 -4.660 -8.950 4.632 1.00 0.00 N ATOM 155 CA GLY A 11 -3.484 -8.246 5.020 1.00 0.00 C ATOM 156 C GLY A 11 -2.536 -8.207 3.859 1.00 0.00 C ATOM 157 O GLY A 11 -2.663 -7.364 2.959 1.00 0.00 O ATOM 0 HA2 GLY A 11 -3.737 -7.233 5.334 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.015 -8.736 5.873 1.00 0.00 H new ATOM 161 N LEU A 12 -1.681 -9.195 3.817 1.00 0.00 N ATOM 162 CA LEU A 12 -0.654 -9.336 2.786 1.00 0.00 C ATOM 163 C LEU A 12 -1.352 -9.572 1.452 1.00 0.00 C ATOM 164 O LEU A 12 -0.991 -9.000 0.436 1.00 0.00 O ATOM 165 CB LEU A 12 0.235 -10.549 3.141 1.00 0.00 C ATOM 166 CG LEU A 12 1.692 -10.592 2.606 1.00 0.00 C ATOM 167 CD1 LEU A 12 2.434 -11.760 3.227 1.00 0.00 C ATOM 168 CD2 LEU A 12 1.750 -10.719 1.098 1.00 0.00 C ATOM 0 H LEU A 12 -1.668 -9.946 4.507 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.034 -8.442 2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.281 -10.618 4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.273 -11.446 2.786 1.00 0.00 H new ATOM 0 HG LEU A 12 2.161 -9.648 2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.456 -11.785 2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.452 -11.645 4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.928 -12.691 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.791 -10.745 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.252 -11.639 0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.249 -9.865 0.641 1.00 0.00 H new ATOM 180 N CYS A 13 -2.391 -10.383 1.502 1.00 0.00 N ATOM 181 CA CYS A 13 -3.174 -10.749 0.343 1.00 0.00 C ATOM 182 C CYS A 13 -3.746 -9.506 -0.383 1.00 0.00 C ATOM 183 O CYS A 13 -3.664 -9.400 -1.607 1.00 0.00 O ATOM 184 CB CYS A 13 -4.291 -11.678 0.789 1.00 0.00 C ATOM 185 SG CYS A 13 -3.725 -13.120 1.714 1.00 0.00 S ATOM 0 H CYS A 13 -2.719 -10.813 2.367 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.530 -11.258 -0.374 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.992 -11.116 1.406 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.840 -12.016 -0.090 1.00 0.00 H new ATOM 0 HG CYS A 13 -4.748 -13.848 2.051 1.00 0.00 H new ATOM 191 N ARG A 14 -4.280 -8.556 0.376 1.00 0.00 N ATOM 192 CA ARG A 14 -4.843 -7.344 -0.210 1.00 0.00 C ATOM 193 C ARG A 14 -3.732 -6.401 -0.668 1.00 0.00 C ATOM 194 O ARG A 14 -3.835 -5.780 -1.728 1.00 0.00 O ATOM 195 CB ARG A 14 -5.828 -6.668 0.764 1.00 0.00 C ATOM 196 CG ARG A 14 -6.282 -5.267 0.364 1.00 0.00 C ATOM 197 CD ARG A 14 -7.437 -4.772 1.231 1.00 0.00 C ATOM 198 NE ARG A 14 -8.746 -5.309 0.789 1.00 0.00 N ATOM 199 CZ ARG A 14 -9.664 -5.911 1.575 1.00 0.00 C ATOM 200 NH1 ARG A 14 -9.360 -6.300 2.802 1.00 0.00 N ATOM 201 NH2 ARG A 14 -10.874 -6.162 1.094 1.00 0.00 N ATOM 0 H ARG A 14 -4.335 -8.600 1.394 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.416 -7.616 -1.096 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.708 -7.303 0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.361 -6.614 1.748 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.443 -4.576 0.448 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.589 -5.270 -0.682 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.260 -5.061 2.267 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.467 -3.683 1.205 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.974 -5.215 -0.201 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.420 -6.147 3.168 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.065 -6.753 3.383 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.106 -5.901 0.136 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.572 -6.617 1.682 1.00 0.00 H new ATOM 215 N LEU A 15 -2.663 -6.355 0.108 1.00 0.00 N ATOM 216 CA LEU A 15 -1.488 -5.560 -0.189 1.00 0.00 C ATOM 217 C LEU A 15 -0.925 -5.935 -1.565 1.00 0.00 C ATOM 218 O LEU A 15 -0.801 -5.073 -2.446 1.00 0.00 O ATOM 219 CB LEU A 15 -0.455 -5.816 0.901 1.00 0.00 C ATOM 220 CG LEU A 15 0.899 -5.144 0.760 1.00 0.00 C ATOM 221 CD1 LEU A 15 0.778 -3.644 0.880 1.00 0.00 C ATOM 222 CD2 LEU A 15 1.848 -5.690 1.798 1.00 0.00 C ATOM 0 H LEU A 15 -2.588 -6.880 0.979 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.746 -4.501 -0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.887 -5.505 1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.291 -6.892 0.962 1.00 0.00 H new ATOM 0 HG LEU A 15 1.294 -5.362 -0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.763 -3.190 0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.120 -3.268 0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.363 -3.389 1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.819 -5.206 1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.450 -5.495 2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.962 -6.765 1.657 1.00 0.00 H new ATOM 234 N SER A 16 -0.639 -7.226 -1.751 1.00 0.00 N ATOM 235 CA SER A 16 -0.120 -7.741 -3.007 1.00 0.00 C ATOM 236 C SER A 16 -1.043 -7.388 -4.161 1.00 0.00 C ATOM 237 O SER A 16 -0.605 -6.812 -5.138 1.00 0.00 O ATOM 238 CB SER A 16 0.021 -9.250 -2.926 1.00 0.00 C ATOM 239 OG SER A 16 0.802 -9.625 -1.813 1.00 0.00 O ATOM 0 H SER A 16 -0.763 -7.938 -1.031 1.00 0.00 H new ATOM 0 HA SER A 16 0.854 -7.285 -3.184 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.966 -9.708 -2.853 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.480 -9.626 -3.840 1.00 0.00 H new ATOM 0 HG SER A 16 0.248 -9.609 -1.005 1.00 0.00 H new ATOM 245 N THR A 17 -2.329 -7.672 -3.990 1.00 0.00 N ATOM 246 CA THR A 17 -3.343 -7.458 -5.013 1.00 0.00 C ATOM 247 C THR A 17 -3.325 -6.017 -5.576 1.00 0.00 C ATOM 248 O THR A 17 -3.534 -5.802 -6.781 1.00 0.00 O ATOM 249 CB THR A 17 -4.732 -7.831 -4.443 1.00 0.00 C ATOM 250 OG1 THR A 17 -4.704 -9.217 -4.045 1.00 0.00 O ATOM 251 CG2 THR A 17 -5.840 -7.631 -5.464 1.00 0.00 C ATOM 0 H THR A 17 -2.701 -8.063 -3.124 1.00 0.00 H new ATOM 0 HA THR A 17 -3.116 -8.108 -5.858 1.00 0.00 H new ATOM 0 HB THR A 17 -4.941 -7.178 -3.595 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.320 -9.292 -3.147 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.797 -7.905 -5.021 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.868 -6.585 -5.770 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.650 -8.259 -6.334 1.00 0.00 H new ATOM 259 N TYR A 18 -3.027 -5.059 -4.731 1.00 0.00 N ATOM 260 CA TYR A 18 -2.956 -3.688 -5.162 1.00 0.00 C ATOM 261 C TYR A 18 -1.568 -3.305 -5.668 1.00 0.00 C ATOM 262 O TYR A 18 -1.442 -2.542 -6.615 1.00 0.00 O ATOM 263 CB TYR A 18 -3.457 -2.746 -4.082 1.00 0.00 C ATOM 264 CG TYR A 18 -4.961 -2.769 -3.943 1.00 0.00 C ATOM 265 CD1 TYR A 18 -5.736 -2.074 -4.832 1.00 0.00 C ATOM 266 CD2 TYR A 18 -5.600 -3.477 -2.941 1.00 0.00 C ATOM 267 CE1 TYR A 18 -7.100 -2.066 -4.750 1.00 0.00 C ATOM 268 CE2 TYR A 18 -6.980 -3.476 -2.844 1.00 0.00 C ATOM 269 CZ TYR A 18 -7.722 -2.765 -3.759 1.00 0.00 C ATOM 270 OH TYR A 18 -9.092 -2.753 -3.682 1.00 0.00 O ATOM 0 H TYR A 18 -2.830 -5.206 -3.741 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.624 -3.586 -6.018 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.004 -3.018 -3.129 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.132 -1.731 -4.311 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.255 -1.516 -5.621 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.015 -4.037 -2.226 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -7.683 -1.508 -5.468 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.471 -4.029 -2.057 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.387 -1.931 -3.237 1.00 0.00 H new ATOM 280 N LEU A 19 -0.532 -3.868 -5.081 1.00 0.00 N ATOM 281 CA LEU A 19 0.832 -3.568 -5.515 1.00 0.00 C ATOM 282 C LEU A 19 1.155 -4.208 -6.867 1.00 0.00 C ATOM 283 O LEU A 19 2.014 -3.727 -7.599 1.00 0.00 O ATOM 284 CB LEU A 19 1.859 -3.954 -4.450 1.00 0.00 C ATOM 285 CG LEU A 19 1.792 -3.154 -3.142 1.00 0.00 C ATOM 286 CD1 LEU A 19 2.819 -3.666 -2.153 1.00 0.00 C ATOM 287 CD2 LEU A 19 1.997 -1.662 -3.408 1.00 0.00 C ATOM 0 H LEU A 19 -0.599 -4.531 -4.309 1.00 0.00 H new ATOM 0 HA LEU A 19 0.894 -2.488 -5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.732 -5.011 -4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.856 -3.839 -4.874 1.00 0.00 H new ATOM 0 HG LEU A 19 0.801 -3.289 -2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.757 -3.087 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.623 -4.716 -1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.817 -3.564 -2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.946 -1.114 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.973 -1.505 -3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.218 -1.302 -4.080 1.00 0.00 H new ATOM 299 N GLU A 20 0.434 -5.276 -7.206 1.00 0.00 N ATOM 300 CA GLU A 20 0.569 -5.939 -8.512 1.00 0.00 C ATOM 301 C GLU A 20 0.034 -5.029 -9.627 1.00 0.00 C ATOM 302 O GLU A 20 0.331 -5.224 -10.805 1.00 0.00 O ATOM 303 CB GLU A 20 -0.194 -7.273 -8.531 1.00 0.00 C ATOM 304 CG GLU A 20 0.310 -8.319 -7.542 1.00 0.00 C ATOM 305 CD GLU A 20 -0.570 -9.554 -7.493 1.00 0.00 C ATOM 306 OE1 GLU A 20 -1.797 -9.429 -7.261 1.00 0.00 O ATOM 307 OE2 GLU A 20 -0.069 -10.673 -7.705 1.00 0.00 O ATOM 0 H GLU A 20 -0.257 -5.707 -6.591 1.00 0.00 H new ATOM 0 HA GLU A 20 1.627 -6.137 -8.681 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.246 -7.076 -8.323 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.141 -7.690 -9.537 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.324 -8.612 -7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.363 -7.876 -6.547 1.00 0.00 H new ATOM 314 N GLU A 21 -0.742 -4.028 -9.242 1.00 0.00 N ATOM 315 CA GLU A 21 -1.323 -3.082 -10.184 1.00 0.00 C ATOM 316 C GLU A 21 -0.354 -1.959 -10.498 1.00 0.00 C ATOM 317 O GLU A 21 -0.584 -1.158 -11.408 1.00 0.00 O ATOM 318 CB GLU A 21 -2.617 -2.502 -9.624 1.00 0.00 C ATOM 319 CG GLU A 21 -3.733 -3.511 -9.490 1.00 0.00 C ATOM 320 CD GLU A 21 -4.182 -4.029 -10.831 1.00 0.00 C ATOM 321 OE1 GLU A 21 -5.073 -3.403 -11.453 1.00 0.00 O ATOM 322 OE2 GLU A 21 -3.674 -5.055 -11.292 1.00 0.00 O ATOM 0 H GLU A 21 -0.987 -3.848 -8.268 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.539 -3.621 -11.107 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.415 -2.067 -8.645 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.950 -1.691 -10.271 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.398 -4.344 -8.872 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.578 -3.053 -8.976 1.00 0.00 H new ATOM 329 N LEU A 22 0.722 -1.897 -9.759 1.00 0.00 N ATOM 330 CA LEU A 22 1.700 -0.868 -9.961 1.00 0.00 C ATOM 331 C LEU A 22 2.804 -1.379 -10.853 1.00 0.00 C ATOM 332 O LEU A 22 3.247 -2.526 -10.717 1.00 0.00 O ATOM 333 CB LEU A 22 2.292 -0.392 -8.633 1.00 0.00 C ATOM 334 CG LEU A 22 1.320 0.173 -7.599 1.00 0.00 C ATOM 335 CD1 LEU A 22 2.086 0.726 -6.414 1.00 0.00 C ATOM 336 CD2 LEU A 22 0.427 1.242 -8.197 1.00 0.00 C ATOM 0 H LEU A 22 0.942 -2.552 -9.009 1.00 0.00 H new ATOM 0 HA LEU A 22 1.204 -0.021 -10.435 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.819 -1.230 -8.178 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.037 0.373 -8.850 1.00 0.00 H new ATOM 0 HG LEU A 22 0.678 -0.641 -7.263 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.385 1.127 -5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.673 -0.070 -5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.753 1.520 -6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.251 1.620 -7.432 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.041 2.060 -8.574 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.152 0.816 -9.016 1.00 0.00 H new ATOM 348 N GLU A 23 3.225 -0.561 -11.783 1.00 0.00 N ATOM 349 CA GLU A 23 4.315 -0.924 -12.651 1.00 0.00 C ATOM 350 C GLU A 23 5.641 -0.566 -11.965 1.00 0.00 C ATOM 351 O GLU A 23 5.626 -0.047 -10.839 1.00 0.00 O ATOM 352 CB GLU A 23 4.186 -0.230 -14.011 1.00 0.00 C ATOM 353 CG GLU A 23 4.301 1.272 -13.972 1.00 0.00 C ATOM 354 CD GLU A 23 4.336 1.867 -15.350 1.00 0.00 C ATOM 355 OE1 GLU A 23 5.365 1.716 -16.035 1.00 0.00 O ATOM 356 OE2 GLU A 23 3.349 2.494 -15.768 1.00 0.00 O ATOM 0 H GLU A 23 2.829 0.362 -11.959 1.00 0.00 H new ATOM 0 HA GLU A 23 4.289 -1.998 -12.837 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.956 -0.621 -14.676 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.223 -0.495 -14.447 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.458 1.686 -13.419 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.205 1.553 -13.432 1.00 0.00 H new ATOM 363 N ALA A 24 6.762 -0.806 -12.645 1.00 0.00 N ATOM 364 CA ALA A 24 8.100 -0.569 -12.088 1.00 0.00 C ATOM 365 C ALA A 24 8.262 0.846 -11.526 1.00 0.00 C ATOM 366 O ALA A 24 8.656 1.014 -10.379 1.00 0.00 O ATOM 367 CB ALA A 24 9.172 -0.853 -13.128 1.00 0.00 C ATOM 0 H ALA A 24 6.772 -1.170 -13.598 1.00 0.00 H new ATOM 0 HA ALA A 24 8.220 -1.260 -11.253 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.156 -0.671 -12.695 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.102 -1.893 -13.448 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.027 -0.199 -13.988 1.00 0.00 H new ATOM 373 N VAL A 25 7.916 1.851 -12.317 1.00 0.00 N ATOM 374 CA VAL A 25 8.048 3.249 -11.887 1.00 0.00 C ATOM 375 C VAL A 25 7.034 3.612 -10.786 1.00 0.00 C ATOM 376 O VAL A 25 7.311 4.428 -9.917 1.00 0.00 O ATOM 377 CB VAL A 25 7.957 4.240 -13.081 1.00 0.00 C ATOM 378 CG1 VAL A 25 6.674 4.065 -13.821 1.00 0.00 C ATOM 379 CG2 VAL A 25 8.111 5.683 -12.634 1.00 0.00 C ATOM 0 H VAL A 25 7.542 1.733 -13.259 1.00 0.00 H new ATOM 0 HA VAL A 25 9.046 3.346 -11.459 1.00 0.00 H new ATOM 0 HB VAL A 25 8.785 4.009 -13.751 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.634 4.770 -14.652 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.612 3.047 -14.205 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.837 4.250 -13.147 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.041 6.342 -13.500 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.321 5.931 -11.925 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.082 5.814 -12.156 1.00 0.00 H new ATOM 389 N GLU A 26 5.904 2.965 -10.793 1.00 0.00 N ATOM 390 CA GLU A 26 4.895 3.215 -9.781 1.00 0.00 C ATOM 391 C GLU A 26 5.372 2.677 -8.446 1.00 0.00 C ATOM 392 O GLU A 26 5.266 3.346 -7.415 1.00 0.00 O ATOM 393 CB GLU A 26 3.577 2.603 -10.198 1.00 0.00 C ATOM 394 CG GLU A 26 3.000 3.249 -11.435 1.00 0.00 C ATOM 395 CD GLU A 26 2.585 4.678 -11.192 1.00 0.00 C ATOM 396 OE1 GLU A 26 3.418 5.585 -11.331 1.00 0.00 O ATOM 397 OE2 GLU A 26 1.402 4.919 -10.869 1.00 0.00 O ATOM 0 H GLU A 26 5.650 2.259 -11.484 1.00 0.00 H new ATOM 0 HA GLU A 26 4.736 4.288 -9.674 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.718 1.538 -10.381 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.863 2.694 -9.379 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.738 3.218 -12.236 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.138 2.675 -11.774 1.00 0.00 H new ATOM 404 N LEU A 27 5.952 1.491 -8.487 1.00 0.00 N ATOM 405 CA LEU A 27 6.558 0.895 -7.315 1.00 0.00 C ATOM 406 C LEU A 27 7.765 1.709 -6.902 1.00 0.00 C ATOM 407 O LEU A 27 8.019 1.886 -5.726 1.00 0.00 O ATOM 408 CB LEU A 27 6.967 -0.557 -7.585 1.00 0.00 C ATOM 409 CG LEU A 27 5.831 -1.552 -7.845 1.00 0.00 C ATOM 410 CD1 LEU A 27 6.398 -2.877 -8.315 1.00 0.00 C ATOM 411 CD2 LEU A 27 5.012 -1.763 -6.580 1.00 0.00 C ATOM 0 H LEU A 27 6.015 0.919 -9.329 1.00 0.00 H new ATOM 0 HA LEU A 27 5.826 0.893 -6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.634 -0.569 -8.447 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.543 -0.913 -6.731 1.00 0.00 H new ATOM 0 HG LEU A 27 5.183 -1.144 -8.621 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.583 -3.577 -8.497 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.959 -2.726 -9.237 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.060 -3.282 -7.549 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.209 -2.472 -6.781 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.654 -2.156 -5.792 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.585 -0.812 -6.260 1.00 0.00 H new ATOM 423 N LYS A 28 8.478 2.215 -7.898 1.00 0.00 N ATOM 424 CA LYS A 28 9.665 3.055 -7.729 1.00 0.00 C ATOM 425 C LYS A 28 9.344 4.245 -6.831 1.00 0.00 C ATOM 426 O LYS A 28 10.053 4.509 -5.850 1.00 0.00 O ATOM 427 CB LYS A 28 10.103 3.585 -9.097 1.00 0.00 C ATOM 428 CG LYS A 28 11.468 4.210 -9.156 1.00 0.00 C ATOM 429 CD LYS A 28 12.517 3.137 -9.253 1.00 0.00 C ATOM 430 CE LYS A 28 13.913 3.729 -9.242 1.00 0.00 C ATOM 431 NZ LYS A 28 14.954 2.690 -9.329 1.00 0.00 N ATOM 0 H LYS A 28 8.243 2.050 -8.877 1.00 0.00 H new ATOM 0 HA LYS A 28 10.458 2.459 -7.276 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.071 2.762 -9.810 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.373 4.323 -9.429 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.536 4.876 -10.016 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.638 4.818 -8.268 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.408 2.442 -8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.370 2.563 -10.168 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.020 4.420 -10.078 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.054 4.308 -8.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.890 3.125 -9.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.797 1.978 -8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.911 2.233 -10.262 1.00 0.00 H new ATOM 445 N LYS A 29 8.267 4.932 -7.166 1.00 0.00 N ATOM 446 CA LYS A 29 7.824 6.111 -6.431 1.00 0.00 C ATOM 447 C LYS A 29 7.468 5.706 -5.020 1.00 0.00 C ATOM 448 O LYS A 29 7.945 6.283 -4.046 1.00 0.00 O ATOM 449 CB LYS A 29 6.568 6.676 -7.061 1.00 0.00 C ATOM 450 CG LYS A 29 6.664 7.121 -8.500 1.00 0.00 C ATOM 451 CD LYS A 29 5.280 7.492 -8.980 1.00 0.00 C ATOM 452 CE LYS A 29 5.255 7.980 -10.402 1.00 0.00 C ATOM 453 NZ LYS A 29 3.859 8.199 -10.840 1.00 0.00 N ATOM 0 H LYS A 29 7.671 4.690 -7.957 1.00 0.00 H new ATOM 0 HA LYS A 29 8.624 6.851 -6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.785 5.921 -6.991 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.243 7.528 -6.464 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.337 7.974 -8.589 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.078 6.323 -9.117 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.627 6.624 -8.889 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.873 8.267 -8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.821 8.908 -10.486 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.739 7.252 -11.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.837 8.938 -11.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.474 7.314 -11.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.283 8.499 -10.028 1.00 0.00 H new ATOM 467 N PHE A 30 6.631 4.696 -4.951 1.00 0.00 N ATOM 468 CA PHE A 30 6.124 4.114 -3.729 1.00 0.00 C ATOM 469 C PHE A 30 7.246 3.747 -2.748 1.00 0.00 C ATOM 470 O PHE A 30 7.261 4.205 -1.600 1.00 0.00 O ATOM 471 CB PHE A 30 5.257 2.896 -4.126 1.00 0.00 C ATOM 472 CG PHE A 30 4.998 1.867 -3.069 1.00 0.00 C ATOM 473 CD1 PHE A 30 4.274 2.161 -1.940 1.00 0.00 C ATOM 474 CD2 PHE A 30 5.481 0.583 -3.233 1.00 0.00 C ATOM 475 CE1 PHE A 30 4.037 1.193 -0.991 1.00 0.00 C ATOM 476 CE2 PHE A 30 5.248 -0.384 -2.288 1.00 0.00 C ATOM 477 CZ PHE A 30 4.524 -0.078 -1.164 1.00 0.00 C ATOM 0 H PHE A 30 6.268 4.236 -5.786 1.00 0.00 H new ATOM 0 HA PHE A 30 5.517 4.841 -3.190 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.295 3.267 -4.479 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.737 2.400 -4.970 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.888 3.159 -1.796 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.050 0.337 -4.117 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.466 1.435 -0.107 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.633 -1.383 -2.429 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.338 -0.836 -0.417 1.00 0.00 H new ATOM 487 N LYS A 31 8.204 2.996 -3.219 1.00 0.00 N ATOM 488 CA LYS A 31 9.262 2.503 -2.369 1.00 0.00 C ATOM 489 C LYS A 31 10.267 3.571 -1.988 1.00 0.00 C ATOM 490 O LYS A 31 10.908 3.459 -0.952 1.00 0.00 O ATOM 491 CB LYS A 31 9.913 1.261 -2.975 1.00 0.00 C ATOM 492 CG LYS A 31 10.660 1.482 -4.268 1.00 0.00 C ATOM 493 CD LYS A 31 10.976 0.154 -4.929 1.00 0.00 C ATOM 494 CE LYS A 31 11.918 0.322 -6.098 1.00 0.00 C ATOM 495 NZ LYS A 31 13.177 0.926 -5.648 1.00 0.00 N ATOM 0 H LYS A 31 8.277 2.708 -4.195 1.00 0.00 H new ATOM 0 HA LYS A 31 8.804 2.203 -1.426 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.604 0.841 -2.244 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.138 0.514 -3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.062 2.097 -4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.583 2.028 -4.073 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.421 -0.520 -4.197 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.052 -0.312 -5.271 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.114 -0.646 -6.559 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.456 0.950 -6.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.902 0.807 -6.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.030 1.940 -5.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.493 0.460 -4.774 1.00 0.00 H new ATOM 509 N LEU A 32 10.404 4.615 -2.782 1.00 0.00 N ATOM 510 CA LEU A 32 11.295 5.668 -2.379 1.00 0.00 C ATOM 511 C LEU A 32 10.598 6.570 -1.387 1.00 0.00 C ATOM 512 O LEU A 32 11.193 6.979 -0.394 1.00 0.00 O ATOM 513 CB LEU A 32 11.917 6.442 -3.581 1.00 0.00 C ATOM 514 CG LEU A 32 11.025 7.336 -4.480 1.00 0.00 C ATOM 515 CD1 LEU A 32 10.741 8.697 -3.844 1.00 0.00 C ATOM 516 CD2 LEU A 32 11.680 7.513 -5.834 1.00 0.00 C ATOM 0 H LEU A 32 9.928 4.750 -3.674 1.00 0.00 H new ATOM 0 HA LEU A 32 12.153 5.215 -1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.710 7.074 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.392 5.705 -4.228 1.00 0.00 H new ATOM 0 HG LEU A 32 10.065 6.834 -4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.113 9.287 -4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.227 8.554 -2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.681 9.222 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.050 8.142 -6.463 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.654 7.986 -5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.808 6.539 -6.307 1.00 0.00 H new ATOM 528 N TYR A 33 9.305 6.798 -1.619 1.00 0.00 N ATOM 529 CA TYR A 33 8.504 7.680 -0.791 1.00 0.00 C ATOM 530 C TYR A 33 8.526 7.250 0.656 1.00 0.00 C ATOM 531 O TYR A 33 8.771 8.059 1.527 1.00 0.00 O ATOM 532 CB TYR A 33 7.050 7.761 -1.293 1.00 0.00 C ATOM 533 CG TYR A 33 6.191 8.697 -0.467 1.00 0.00 C ATOM 534 CD1 TYR A 33 5.499 8.242 0.654 1.00 0.00 C ATOM 535 CD2 TYR A 33 6.105 10.038 -0.785 1.00 0.00 C ATOM 536 CE1 TYR A 33 4.759 9.096 1.429 1.00 0.00 C ATOM 537 CE2 TYR A 33 5.353 10.902 -0.017 1.00 0.00 C ATOM 538 CZ TYR A 33 4.689 10.425 1.090 1.00 0.00 C ATOM 539 OH TYR A 33 3.962 11.285 1.868 1.00 0.00 O ATOM 0 H TYR A 33 8.789 6.372 -2.389 1.00 0.00 H new ATOM 0 HA TYR A 33 8.950 8.672 -0.864 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.048 8.095 -2.331 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.610 6.764 -1.278 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.547 7.196 0.917 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.634 10.416 -1.647 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.235 8.727 2.299 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.286 11.947 -0.283 1.00 0.00 H new ATOM 0 HH TYR A 33 4.359 11.332 2.763 1.00 0.00 H new ATOM 549 N LEU A 34 8.265 5.992 0.898 1.00 0.00 N ATOM 550 CA LEU A 34 8.235 5.492 2.253 1.00 0.00 C ATOM 551 C LEU A 34 9.565 4.916 2.698 1.00 0.00 C ATOM 552 O LEU A 34 9.889 4.918 3.882 1.00 0.00 O ATOM 553 CB LEU A 34 7.067 4.499 2.453 1.00 0.00 C ATOM 554 CG LEU A 34 6.895 3.353 1.423 1.00 0.00 C ATOM 555 CD1 LEU A 34 7.978 2.287 1.524 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.539 2.730 1.576 1.00 0.00 C ATOM 0 H LEU A 34 8.070 5.295 0.179 1.00 0.00 H new ATOM 0 HA LEU A 34 8.055 6.347 2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.179 4.047 3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.141 5.073 2.470 1.00 0.00 H new ATOM 0 HG LEU A 34 6.992 3.800 0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.799 1.515 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.953 2.742 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.958 1.841 2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.424 1.926 0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.435 2.327 2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.771 3.484 1.406 1.00 0.00 H new ATOM 568 N GLY A 35 10.351 4.460 1.755 1.00 0.00 N ATOM 569 CA GLY A 35 11.574 3.804 2.101 1.00 0.00 C ATOM 570 C GLY A 35 12.672 4.763 2.478 1.00 0.00 C ATOM 571 O GLY A 35 13.429 4.514 3.416 1.00 0.00 O ATOM 0 H GLY A 35 10.164 4.532 0.755 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.392 3.124 2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.904 3.196 1.259 1.00 0.00 H new ATOM 575 N THR A 36 12.746 5.867 1.776 1.00 0.00 N ATOM 576 CA THR A 36 13.790 6.863 2.042 1.00 0.00 C ATOM 577 C THR A 36 13.182 8.069 2.782 1.00 0.00 C ATOM 578 O THR A 36 13.767 9.159 2.840 1.00 0.00 O ATOM 579 CB THR A 36 14.478 7.341 0.717 1.00 0.00 C ATOM 580 OG1 THR A 36 13.545 8.037 -0.121 1.00 0.00 O ATOM 581 CG2 THR A 36 15.028 6.158 -0.068 1.00 0.00 C ATOM 0 H THR A 36 12.107 6.110 1.019 1.00 0.00 H new ATOM 0 HA THR A 36 14.552 6.396 2.666 1.00 0.00 H new ATOM 0 HB THR A 36 15.292 8.008 1.002 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.798 7.443 -0.342 1.00 0.00 H new ATOM 0 HG21 THR A 36 15.500 6.516 -0.983 1.00 0.00 H new ATOM 0 HG22 THR A 36 15.764 5.630 0.538 1.00 0.00 H new ATOM 0 HG23 THR A 36 14.214 5.480 -0.322 1.00 0.00 H new ATOM 589 N ALA A 37 12.029 7.838 3.376 1.00 0.00 N ATOM 590 CA ALA A 37 11.255 8.874 4.022 1.00 0.00 C ATOM 591 C ALA A 37 11.834 9.327 5.333 1.00 0.00 C ATOM 592 O ALA A 37 12.054 8.525 6.241 1.00 0.00 O ATOM 593 CB ALA A 37 9.857 8.397 4.278 1.00 0.00 C ATOM 0 H ALA A 37 11.599 6.914 3.423 1.00 0.00 H new ATOM 0 HA ALA A 37 11.269 9.720 3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.286 9.188 4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.382 8.137 3.332 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.885 7.519 4.924 1.00 0.00 H new ATOM 599 N THR A 38 12.034 10.612 5.450 1.00 0.00 N ATOM 600 CA THR A 38 12.425 11.187 6.696 1.00 0.00 C ATOM 601 C THR A 38 11.172 11.615 7.480 1.00 0.00 C ATOM 602 O THR A 38 11.215 11.874 8.683 1.00 0.00 O ATOM 603 CB THR A 38 13.409 12.353 6.498 1.00 0.00 C ATOM 604 OG1 THR A 38 12.944 13.231 5.451 1.00 0.00 O ATOM 605 CG2 THR A 38 14.803 11.841 6.162 1.00 0.00 C ATOM 0 H THR A 38 11.930 11.281 4.687 1.00 0.00 H new ATOM 0 HA THR A 38 12.957 10.436 7.280 1.00 0.00 H new ATOM 0 HB THR A 38 13.462 12.909 7.434 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.579 13.969 5.337 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.478 12.686 6.027 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.166 11.213 6.976 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.764 11.257 5.242 1.00 0.00 H new ATOM 613 N GLU A 39 10.029 11.628 6.778 1.00 0.00 N ATOM 614 CA GLU A 39 8.720 11.921 7.388 1.00 0.00 C ATOM 615 C GLU A 39 8.247 10.700 8.176 1.00 0.00 C ATOM 616 O GLU A 39 7.299 10.762 8.963 1.00 0.00 O ATOM 617 CB GLU A 39 7.678 12.284 6.302 1.00 0.00 C ATOM 618 CG GLU A 39 7.391 11.164 5.294 1.00 0.00 C ATOM 619 CD GLU A 39 6.457 11.592 4.169 1.00 0.00 C ATOM 620 OE1 GLU A 39 5.214 11.541 4.332 1.00 0.00 O ATOM 621 OE2 GLU A 39 6.961 11.983 3.102 1.00 0.00 O ATOM 0 H GLU A 39 9.984 11.437 5.777 1.00 0.00 H new ATOM 0 HA GLU A 39 8.825 12.774 8.058 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.745 12.563 6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.028 13.162 5.760 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.332 10.821 4.865 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.952 10.316 5.819 1.00 0.00 H new ATOM 628 N LEU A 40 8.936 9.602 7.950 1.00 0.00 N ATOM 629 CA LEU A 40 8.635 8.333 8.558 1.00 0.00 C ATOM 630 C LEU A 40 9.671 8.060 9.649 1.00 0.00 C ATOM 631 O LEU A 40 9.747 6.970 10.218 1.00 0.00 O ATOM 632 CB LEU A 40 8.727 7.275 7.481 1.00 0.00 C ATOM 633 CG LEU A 40 8.057 5.942 7.771 1.00 0.00 C ATOM 634 CD1 LEU A 40 6.539 6.079 7.800 1.00 0.00 C ATOM 635 CD2 LEU A 40 8.500 4.886 6.781 1.00 0.00 C ATOM 0 H LEU A 40 9.740 9.571 7.322 1.00 0.00 H new ATOM 0 HA LEU A 40 7.639 8.329 9.001 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.293 7.682 6.567 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.781 7.088 7.278 1.00 0.00 H new ATOM 0 HG LEU A 40 8.372 5.618 8.763 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.090 5.108 8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.252 6.787 8.578 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.188 6.440 6.833 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.006 3.942 7.011 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.233 5.199 5.772 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.580 4.756 6.847 1.00 0.00 H new ATOM 647 N GLY A 41 10.487 9.053 9.877 1.00 0.00 N ATOM 648 CA GLY A 41 11.491 9.009 10.895 1.00 0.00 C ATOM 649 C GLY A 41 12.819 8.662 10.319 1.00 0.00 C ATOM 650 O GLY A 41 13.550 9.527 9.838 1.00 0.00 O ATOM 0 H GLY A 41 10.470 9.927 9.351 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.549 9.975 11.396 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.215 8.274 11.651 1.00 0.00 H new ATOM 654 N GLU A 42 13.105 7.415 10.331 1.00 0.00 N ATOM 655 CA GLU A 42 14.341 6.887 9.813 1.00 0.00 C ATOM 656 C GLU A 42 14.126 6.179 8.496 1.00 0.00 C ATOM 657 O GLU A 42 14.939 6.281 7.573 1.00 0.00 O ATOM 658 CB GLU A 42 15.044 5.950 10.828 1.00 0.00 C ATOM 659 CG GLU A 42 14.149 5.354 11.911 1.00 0.00 C ATOM 660 CD GLU A 42 12.968 4.547 11.401 1.00 0.00 C ATOM 661 OE1 GLU A 42 11.884 5.150 11.194 1.00 0.00 O ATOM 662 OE2 GLU A 42 13.073 3.333 11.232 1.00 0.00 O ATOM 0 H GLU A 42 12.480 6.702 10.708 1.00 0.00 H new ATOM 0 HA GLU A 42 15.000 7.738 9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 42 15.510 5.133 10.277 1.00 0.00 H new ATOM 0 HB3 GLU A 42 15.847 6.506 11.312 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.757 4.714 12.551 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.773 6.164 12.536 1.00 0.00 H new ATOM 669 N GLY A 43 13.030 5.484 8.407 1.00 0.00 N ATOM 670 CA GLY A 43 12.753 4.701 7.254 1.00 0.00 C ATOM 671 C GLY A 43 12.949 3.256 7.597 1.00 0.00 C ATOM 672 O GLY A 43 14.064 2.832 7.887 1.00 0.00 O ATOM 0 H GLY A 43 12.312 5.448 9.130 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.731 4.874 6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.412 4.988 6.435 1.00 0.00 H new ATOM 676 N LYS A 44 11.871 2.502 7.576 1.00 0.00 N ATOM 677 CA LYS A 44 11.898 1.091 7.978 1.00 0.00 C ATOM 678 C LYS A 44 12.419 0.191 6.872 1.00 0.00 C ATOM 679 O LYS A 44 12.557 -1.003 7.050 1.00 0.00 O ATOM 680 CB LYS A 44 10.506 0.606 8.436 1.00 0.00 C ATOM 681 CG LYS A 44 10.046 1.083 9.822 1.00 0.00 C ATOM 682 CD LYS A 44 9.875 2.591 9.935 1.00 0.00 C ATOM 683 CE LYS A 44 9.437 2.974 11.339 1.00 0.00 C ATOM 684 NZ LYS A 44 9.332 4.438 11.515 1.00 0.00 N ATOM 0 H LYS A 44 10.952 2.836 7.284 1.00 0.00 H new ATOM 0 HA LYS A 44 12.587 1.026 8.820 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.770 0.931 7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.503 -0.484 8.430 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.099 0.602 10.064 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.770 0.753 10.567 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.814 3.088 9.692 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.136 2.934 9.211 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.472 2.514 11.554 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.149 2.574 12.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.966 4.648 12.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.272 4.869 11.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.685 4.828 10.801 1.00 0.00 H new ATOM 698 N ILE A 45 12.700 0.773 5.747 1.00 0.00 N ATOM 699 CA ILE A 45 13.193 0.036 4.624 1.00 0.00 C ATOM 700 C ILE A 45 14.706 0.142 4.597 1.00 0.00 C ATOM 701 O ILE A 45 15.245 1.245 4.762 1.00 0.00 O ATOM 702 CB ILE A 45 12.599 0.584 3.293 1.00 0.00 C ATOM 703 CG1 ILE A 45 11.064 0.450 3.283 1.00 0.00 C ATOM 704 CG2 ILE A 45 13.213 -0.108 2.071 1.00 0.00 C ATOM 705 CD1 ILE A 45 10.567 -0.979 3.369 1.00 0.00 C ATOM 0 H ILE A 45 12.594 1.774 5.581 1.00 0.00 H new ATOM 0 HA ILE A 45 12.891 -1.007 4.722 1.00 0.00 H new ATOM 0 HB ILE A 45 12.853 1.642 3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.655 1.016 4.120 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.676 0.904 2.371 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.773 0.302 1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.290 0.060 2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.013 -1.178 2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.477 -0.987 3.356 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.944 -1.547 2.518 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.922 -1.433 4.294 1.00 0.00 H new ATOM 717 N PRO A 46 15.417 -0.996 4.443 1.00 0.00 N ATOM 718 CA PRO A 46 16.868 -1.011 4.340 1.00 0.00 C ATOM 719 C PRO A 46 17.400 -0.117 3.202 1.00 0.00 C ATOM 720 O PRO A 46 16.639 0.379 2.346 1.00 0.00 O ATOM 721 CB PRO A 46 17.232 -2.479 4.105 1.00 0.00 C ATOM 722 CG PRO A 46 15.947 -3.188 3.850 1.00 0.00 C ATOM 723 CD PRO A 46 14.852 -2.352 4.427 1.00 0.00 C ATOM 0 HA PRO A 46 17.324 -0.605 5.243 1.00 0.00 H new ATOM 0 HB2 PRO A 46 17.909 -2.582 3.257 1.00 0.00 H new ATOM 0 HB3 PRO A 46 17.742 -2.898 4.972 1.00 0.00 H new ATOM 0 HG2 PRO A 46 15.795 -3.334 2.781 1.00 0.00 H new ATOM 0 HG3 PRO A 46 15.957 -4.177 4.309 1.00 0.00 H new ATOM 0 HD2 PRO A 46 13.948 -2.402 3.819 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.581 -2.684 5.429 1.00 0.00 H new ATOM 731 N TRP A 47 18.685 0.003 3.153 1.00 0.00 N ATOM 732 CA TRP A 47 19.370 0.959 2.337 1.00 0.00 C ATOM 733 C TRP A 47 19.498 0.502 0.895 1.00 0.00 C ATOM 734 O TRP A 47 20.486 -0.122 0.502 1.00 0.00 O ATOM 735 CB TRP A 47 20.734 1.286 2.970 1.00 0.00 C ATOM 736 CG TRP A 47 20.606 1.813 4.387 1.00 0.00 C ATOM 737 CD1 TRP A 47 20.636 3.116 4.778 1.00 0.00 C ATOM 738 CD2 TRP A 47 20.394 1.042 5.595 1.00 0.00 C ATOM 739 NE1 TRP A 47 20.466 3.205 6.134 1.00 0.00 N ATOM 740 CE2 TRP A 47 20.312 1.952 6.657 1.00 0.00 C ATOM 741 CE3 TRP A 47 20.264 -0.326 5.872 1.00 0.00 C ATOM 742 CZ2 TRP A 47 20.109 1.547 7.973 1.00 0.00 C ATOM 743 CZ3 TRP A 47 20.061 -0.730 7.171 1.00 0.00 C ATOM 744 CH2 TRP A 47 19.982 0.203 8.209 1.00 0.00 C ATOM 0 H TRP A 47 19.315 -0.584 3.701 1.00 0.00 H new ATOM 0 HA TRP A 47 18.776 1.872 2.299 1.00 0.00 H new ATOM 0 HB2 TRP A 47 21.353 0.389 2.974 1.00 0.00 H new ATOM 0 HB3 TRP A 47 21.248 2.025 2.356 1.00 0.00 H new ATOM 0 HD1 TRP A 47 20.774 3.958 4.115 1.00 0.00 H new ATOM 0 HE1 TRP A 47 20.456 4.072 6.671 1.00 0.00 H new ATOM 0 HE3 TRP A 47 20.322 -1.053 5.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 20.054 2.265 8.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 19.961 -1.782 7.392 1.00 0.00 H new ATOM 0 HH2 TRP A 47 19.817 -0.143 9.219 1.00 0.00 H new ATOM 755 N GLY A 48 18.439 0.732 0.156 1.00 0.00 N ATOM 756 CA GLY A 48 18.407 0.460 -1.268 1.00 0.00 C ATOM 757 C GLY A 48 18.114 -0.987 -1.600 1.00 0.00 C ATOM 758 O GLY A 48 18.291 -1.411 -2.740 1.00 0.00 O ATOM 0 H GLY A 48 17.568 1.115 0.524 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.650 1.092 -1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.366 0.738 -1.704 1.00 0.00 H new ATOM 762 N SER A 49 17.585 -1.723 -0.639 1.00 0.00 N ATOM 763 CA SER A 49 17.358 -3.145 -0.792 1.00 0.00 C ATOM 764 C SER A 49 15.958 -3.419 -1.358 1.00 0.00 C ATOM 765 O SER A 49 15.371 -4.467 -1.126 1.00 0.00 O ATOM 766 CB SER A 49 17.514 -3.780 0.570 1.00 0.00 C ATOM 767 OG SER A 49 18.739 -3.353 1.172 1.00 0.00 O ATOM 0 H SER A 49 17.302 -1.351 0.267 1.00 0.00 H new ATOM 0 HA SER A 49 18.076 -3.567 -1.495 1.00 0.00 H new ATOM 0 HB2 SER A 49 16.672 -3.507 1.206 1.00 0.00 H new ATOM 0 HB3 SER A 49 17.504 -4.866 0.477 1.00 0.00 H new ATOM 0 HG SER A 49 18.993 -3.982 1.879 1.00 0.00 H new ATOM 773 N MET A 50 15.442 -2.473 -2.097 1.00 0.00 N ATOM 774 CA MET A 50 14.156 -2.627 -2.737 1.00 0.00 C ATOM 775 C MET A 50 14.208 -2.204 -4.194 1.00 0.00 C ATOM 776 O MET A 50 13.197 -2.109 -4.854 1.00 0.00 O ATOM 777 CB MET A 50 13.024 -1.906 -1.960 1.00 0.00 C ATOM 778 CG MET A 50 13.337 -0.497 -1.447 1.00 0.00 C ATOM 779 SD MET A 50 13.906 0.659 -2.713 1.00 0.00 S ATOM 780 CE MET A 50 14.120 2.145 -1.730 1.00 0.00 C ATOM 0 H MET A 50 15.896 -1.577 -2.274 1.00 0.00 H new ATOM 0 HA MET A 50 13.913 -3.689 -2.717 1.00 0.00 H new ATOM 0 HB2 MET A 50 12.150 -1.847 -2.608 1.00 0.00 H new ATOM 0 HB3 MET A 50 12.747 -2.526 -1.107 1.00 0.00 H new ATOM 0 HG2 MET A 50 12.442 -0.089 -0.978 1.00 0.00 H new ATOM 0 HG3 MET A 50 14.099 -0.569 -0.671 1.00 0.00 H new ATOM 0 HE1 MET A 50 14.349 2.985 -2.386 1.00 0.00 H new ATOM 0 HE2 MET A 50 13.202 2.353 -1.180 1.00 0.00 H new ATOM 0 HE3 MET A 50 14.939 2.001 -1.026 1.00 0.00 H new ATOM 790 N GLU A 51 15.400 -2.001 -4.703 1.00 0.00 N ATOM 791 CA GLU A 51 15.592 -1.565 -6.088 1.00 0.00 C ATOM 792 C GLU A 51 15.235 -2.649 -7.090 1.00 0.00 C ATOM 793 O GLU A 51 14.601 -2.383 -8.117 1.00 0.00 O ATOM 794 CB GLU A 51 17.018 -1.079 -6.298 1.00 0.00 C ATOM 795 CG GLU A 51 17.227 0.378 -5.912 1.00 0.00 C ATOM 796 CD GLU A 51 16.562 1.322 -6.902 1.00 0.00 C ATOM 797 OE1 GLU A 51 15.323 1.342 -6.999 1.00 0.00 O ATOM 798 OE2 GLU A 51 17.273 2.044 -7.630 1.00 0.00 O ATOM 0 H GLU A 51 16.267 -2.129 -4.182 1.00 0.00 H new ATOM 0 HA GLU A 51 14.907 -0.736 -6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.695 -1.702 -5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.288 -1.211 -7.346 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.823 0.552 -4.915 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.295 0.593 -5.865 1.00 0.00 H new ATOM 805 N LYS A 52 15.597 -3.853 -6.766 1.00 0.00 N ATOM 806 CA LYS A 52 15.361 -5.000 -7.622 1.00 0.00 C ATOM 807 C LYS A 52 14.170 -5.795 -7.105 1.00 0.00 C ATOM 808 O LYS A 52 14.029 -6.995 -7.374 1.00 0.00 O ATOM 809 CB LYS A 52 16.623 -5.872 -7.669 1.00 0.00 C ATOM 810 CG LYS A 52 17.832 -5.157 -8.267 1.00 0.00 C ATOM 811 CD LYS A 52 19.071 -6.045 -8.315 1.00 0.00 C ATOM 812 CE LYS A 52 19.566 -6.430 -6.921 1.00 0.00 C ATOM 813 NZ LYS A 52 20.809 -7.232 -6.974 1.00 0.00 N ATOM 0 H LYS A 52 16.071 -4.081 -5.892 1.00 0.00 H new ATOM 0 HA LYS A 52 15.133 -4.663 -8.633 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.867 -6.200 -6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.415 -6.768 -8.253 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.590 -4.822 -9.276 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.050 -4.266 -7.679 1.00 0.00 H new ATOM 0 HD2 LYS A 52 18.845 -6.949 -8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.866 -5.526 -8.850 1.00 0.00 H new ATOM 0 HE2 LYS A 52 19.742 -5.527 -6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 52 18.791 -6.997 -6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 21.109 -7.471 -6.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 20.635 -8.107 -7.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 21.557 -6.682 -7.443 1.00 0.00 H new ATOM 827 N ALA A 53 13.311 -5.113 -6.390 1.00 0.00 N ATOM 828 CA ALA A 53 12.138 -5.709 -5.813 1.00 0.00 C ATOM 829 C ALA A 53 10.917 -5.385 -6.668 1.00 0.00 C ATOM 830 O ALA A 53 10.824 -4.289 -7.244 1.00 0.00 O ATOM 831 CB ALA A 53 11.958 -5.195 -4.397 1.00 0.00 C ATOM 0 H ALA A 53 13.410 -4.117 -6.191 1.00 0.00 H new ATOM 0 HA ALA A 53 12.253 -6.792 -5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.069 -5.646 -3.957 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.831 -5.458 -3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.845 -4.111 -4.415 1.00 0.00 H new ATOM 837 N GLY A 54 10.014 -6.330 -6.766 1.00 0.00 N ATOM 838 CA GLY A 54 8.811 -6.167 -7.529 1.00 0.00 C ATOM 839 C GLY A 54 7.619 -6.219 -6.611 1.00 0.00 C ATOM 840 O GLY A 54 7.801 -6.142 -5.395 1.00 0.00 O ATOM 0 H GLY A 54 10.099 -7.240 -6.313 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.832 -5.216 -8.061 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.737 -6.952 -8.282 1.00 0.00 H new ATOM 844 N PRO A 55 6.388 -6.400 -7.133 1.00 0.00 N ATOM 845 CA PRO A 55 5.171 -6.400 -6.306 1.00 0.00 C ATOM 846 C PRO A 55 5.199 -7.486 -5.228 1.00 0.00 C ATOM 847 O PRO A 55 4.777 -7.261 -4.090 1.00 0.00 O ATOM 848 CB PRO A 55 4.035 -6.658 -7.310 1.00 0.00 C ATOM 849 CG PRO A 55 4.698 -7.209 -8.530 1.00 0.00 C ATOM 850 CD PRO A 55 6.083 -6.625 -8.560 1.00 0.00 C ATOM 0 HA PRO A 55 5.057 -5.463 -5.761 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.307 -7.362 -6.907 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.496 -5.738 -7.538 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.736 -8.298 -8.493 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.143 -6.940 -9.429 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.797 -7.307 -9.021 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.116 -5.696 -9.130 1.00 0.00 H new ATOM 858 N LEU A 56 5.753 -8.631 -5.586 1.00 0.00 N ATOM 859 CA LEU A 56 5.850 -9.772 -4.697 1.00 0.00 C ATOM 860 C LEU A 56 6.823 -9.478 -3.558 1.00 0.00 C ATOM 861 O LEU A 56 6.494 -9.655 -2.385 1.00 0.00 O ATOM 862 CB LEU A 56 6.320 -10.996 -5.488 1.00 0.00 C ATOM 863 CG LEU A 56 6.445 -12.311 -4.719 1.00 0.00 C ATOM 864 CD1 LEU A 56 5.084 -12.798 -4.242 1.00 0.00 C ATOM 865 CD2 LEU A 56 7.122 -13.356 -5.580 1.00 0.00 C ATOM 0 H LEU A 56 6.151 -8.795 -6.511 1.00 0.00 H new ATOM 0 HA LEU A 56 4.869 -9.974 -4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.627 -11.151 -6.315 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.292 -10.765 -5.925 1.00 0.00 H new ATOM 0 HG LEU A 56 7.060 -12.137 -3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.203 -13.735 -3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.640 -12.051 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.433 -12.958 -5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.206 -14.289 -5.022 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.531 -13.524 -6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.117 -13.009 -5.858 1.00 0.00 H new ATOM 877 N GLU A 57 8.011 -9.025 -3.902 1.00 0.00 N ATOM 878 CA GLU A 57 9.033 -8.730 -2.922 1.00 0.00 C ATOM 879 C GLU A 57 8.623 -7.561 -2.045 1.00 0.00 C ATOM 880 O GLU A 57 8.834 -7.593 -0.838 1.00 0.00 O ATOM 881 CB GLU A 57 10.406 -8.446 -3.563 1.00 0.00 C ATOM 882 CG GLU A 57 10.964 -9.561 -4.447 1.00 0.00 C ATOM 883 CD GLU A 57 10.488 -9.505 -5.887 1.00 0.00 C ATOM 884 OE1 GLU A 57 9.360 -9.068 -6.148 1.00 0.00 O ATOM 885 OE2 GLU A 57 11.270 -9.856 -6.785 1.00 0.00 O ATOM 0 H GLU A 57 8.294 -8.852 -4.867 1.00 0.00 H new ATOM 0 HA GLU A 57 9.136 -9.624 -2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.327 -7.538 -4.160 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.124 -8.243 -2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.053 -9.511 -4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.684 -10.524 -4.020 1.00 0.00 H new ATOM 892 N MET A 58 8.010 -6.550 -2.651 1.00 0.00 N ATOM 893 CA MET A 58 7.558 -5.370 -1.922 1.00 0.00 C ATOM 894 C MET A 58 6.488 -5.707 -0.925 1.00 0.00 C ATOM 895 O MET A 58 6.570 -5.289 0.217 1.00 0.00 O ATOM 896 CB MET A 58 7.107 -4.247 -2.859 1.00 0.00 C ATOM 897 CG MET A 58 8.270 -3.617 -3.629 1.00 0.00 C ATOM 898 SD MET A 58 9.497 -2.805 -2.577 1.00 0.00 S ATOM 899 CE MET A 58 8.485 -1.643 -1.678 1.00 0.00 C ATOM 0 H MET A 58 7.814 -6.524 -3.652 1.00 0.00 H new ATOM 0 HA MET A 58 8.421 -4.999 -1.369 1.00 0.00 H new ATOM 0 HB2 MET A 58 6.379 -4.641 -3.568 1.00 0.00 H new ATOM 0 HB3 MET A 58 6.601 -3.476 -2.278 1.00 0.00 H new ATOM 0 HG2 MET A 58 8.765 -4.391 -4.216 1.00 0.00 H new ATOM 0 HG3 MET A 58 7.872 -2.888 -4.335 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.123 -0.901 -1.197 1.00 0.00 H new ATOM 0 HE2 MET A 58 7.804 -1.144 -2.368 1.00 0.00 H new ATOM 0 HE3 MET A 58 7.909 -2.173 -0.919 1.00 0.00 H new ATOM 909 N ALA A 59 5.517 -6.507 -1.326 1.00 0.00 N ATOM 910 CA ALA A 59 4.444 -6.903 -0.420 1.00 0.00 C ATOM 911 C ALA A 59 5.023 -7.588 0.817 1.00 0.00 C ATOM 912 O ALA A 59 4.645 -7.301 1.945 1.00 0.00 O ATOM 913 CB ALA A 59 3.460 -7.819 -1.123 1.00 0.00 C ATOM 0 H ALA A 59 5.445 -6.896 -2.266 1.00 0.00 H new ATOM 0 HA ALA A 59 3.909 -6.007 -0.105 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.668 -8.103 -0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.026 -7.300 -1.977 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.978 -8.714 -1.468 1.00 0.00 H new ATOM 919 N GLN A 60 6.018 -8.409 0.592 1.00 0.00 N ATOM 920 CA GLN A 60 6.648 -9.153 1.660 1.00 0.00 C ATOM 921 C GLN A 60 7.717 -8.310 2.376 1.00 0.00 C ATOM 922 O GLN A 60 8.288 -8.733 3.380 1.00 0.00 O ATOM 923 CB GLN A 60 7.241 -10.430 1.106 1.00 0.00 C ATOM 924 CG GLN A 60 6.223 -11.252 0.346 1.00 0.00 C ATOM 925 CD GLN A 60 6.818 -12.485 -0.275 1.00 0.00 C ATOM 926 OE1 GLN A 60 6.845 -13.546 0.330 1.00 0.00 O ATOM 927 NE2 GLN A 60 7.292 -12.359 -1.478 1.00 0.00 N ATOM 0 H GLN A 60 6.415 -8.582 -0.332 1.00 0.00 H new ATOM 0 HA GLN A 60 5.892 -9.407 2.403 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.073 -10.185 0.446 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.647 -11.025 1.924 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.419 -11.543 1.022 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.776 -10.637 -0.435 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.251 -11.456 -1.950 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.705 -13.163 -1.950 1.00 0.00 H new ATOM 936 N LEU A 61 7.959 -7.121 1.870 1.00 0.00 N ATOM 937 CA LEU A 61 8.920 -6.216 2.452 1.00 0.00 C ATOM 938 C LEU A 61 8.188 -5.413 3.511 1.00 0.00 C ATOM 939 O LEU A 61 8.482 -5.518 4.710 1.00 0.00 O ATOM 940 CB LEU A 61 9.471 -5.258 1.378 1.00 0.00 C ATOM 941 CG LEU A 61 10.775 -4.531 1.696 1.00 0.00 C ATOM 942 CD1 LEU A 61 11.942 -5.498 1.683 1.00 0.00 C ATOM 943 CD2 LEU A 61 11.017 -3.411 0.706 1.00 0.00 C ATOM 0 H LEU A 61 7.492 -6.755 1.040 1.00 0.00 H new ATOM 0 HA LEU A 61 9.757 -6.770 2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.617 -5.827 0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.708 -4.508 1.170 1.00 0.00 H new ATOM 0 HG LEU A 61 10.688 -4.102 2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.862 -4.961 1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.780 -6.274 2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.025 -5.955 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.951 -2.905 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.080 -3.823 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.195 -2.697 0.756 1.00 0.00 H new ATOM 955 N LEU A 62 7.149 -4.677 3.069 1.00 0.00 N ATOM 956 CA LEU A 62 6.362 -3.841 3.962 1.00 0.00 C ATOM 957 C LEU A 62 5.724 -4.670 5.071 1.00 0.00 C ATOM 958 O LEU A 62 5.642 -4.227 6.214 1.00 0.00 O ATOM 959 CB LEU A 62 5.243 -3.040 3.231 1.00 0.00 C ATOM 960 CG LEU A 62 5.621 -1.943 2.214 1.00 0.00 C ATOM 961 CD1 LEU A 62 6.648 -0.993 2.749 1.00 0.00 C ATOM 962 CD2 LEU A 62 6.041 -2.504 0.901 1.00 0.00 C ATOM 0 H LEU A 62 6.845 -4.653 2.096 1.00 0.00 H new ATOM 0 HA LEU A 62 7.068 -3.125 4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.614 -3.762 2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.625 -2.573 3.998 1.00 0.00 H new ATOM 0 HG LEU A 62 4.709 -1.371 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.878 -0.242 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.260 -0.503 3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.555 -1.542 3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.296 -1.690 0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.911 -3.146 1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.224 -3.088 0.477 1.00 0.00 H new ATOM 974 N ILE A 63 5.294 -5.881 4.733 1.00 0.00 N ATOM 975 CA ILE A 63 4.610 -6.746 5.685 1.00 0.00 C ATOM 976 C ILE A 63 5.568 -7.189 6.826 1.00 0.00 C ATOM 977 O ILE A 63 5.156 -7.362 7.974 1.00 0.00 O ATOM 978 CB ILE A 63 3.971 -7.976 4.929 1.00 0.00 C ATOM 979 CG1 ILE A 63 2.653 -8.428 5.568 1.00 0.00 C ATOM 980 CG2 ILE A 63 4.937 -9.159 4.802 1.00 0.00 C ATOM 981 CD1 ILE A 63 2.770 -9.066 6.935 1.00 0.00 C ATOM 0 H ILE A 63 5.408 -6.286 3.804 1.00 0.00 H new ATOM 0 HA ILE A 63 3.802 -6.188 6.158 1.00 0.00 H new ATOM 0 HB ILE A 63 3.754 -7.620 3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.994 -7.564 5.646 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.170 -9.138 4.896 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.445 -9.976 4.274 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.821 -8.848 4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.233 -9.495 5.796 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.779 -9.347 7.291 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.397 -9.955 6.869 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.218 -8.356 7.631 1.00 0.00 H new ATOM 993 N THR A 64 6.835 -7.300 6.514 1.00 0.00 N ATOM 994 CA THR A 64 7.804 -7.759 7.470 1.00 0.00 C ATOM 995 C THR A 64 8.303 -6.602 8.346 1.00 0.00 C ATOM 996 O THR A 64 8.416 -6.740 9.577 1.00 0.00 O ATOM 997 CB THR A 64 8.978 -8.457 6.747 1.00 0.00 C ATOM 998 OG1 THR A 64 8.442 -9.507 5.917 1.00 0.00 O ATOM 999 CG2 THR A 64 9.959 -9.066 7.741 1.00 0.00 C ATOM 0 H THR A 64 7.219 -7.076 5.596 1.00 0.00 H new ATOM 0 HA THR A 64 7.325 -8.485 8.127 1.00 0.00 H new ATOM 0 HB THR A 64 9.512 -7.717 6.151 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.612 -9.298 4.975 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.773 -9.549 7.200 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.364 -8.281 8.380 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.443 -9.804 8.355 1.00 0.00 H new ATOM 1007 N HIS A 65 8.560 -5.466 7.727 1.00 0.00 N ATOM 1008 CA HIS A 65 9.069 -4.312 8.455 1.00 0.00 C ATOM 1009 C HIS A 65 7.968 -3.612 9.246 1.00 0.00 C ATOM 1010 O HIS A 65 8.082 -3.431 10.458 1.00 0.00 O ATOM 1011 CB HIS A 65 9.789 -3.326 7.519 1.00 0.00 C ATOM 1012 CG HIS A 65 11.024 -3.890 6.868 1.00 0.00 C ATOM 1013 ND1 HIS A 65 11.191 -4.449 5.648 1.00 0.00 N flip ATOM 1014 CD2 HIS A 65 12.258 -3.934 7.471 1.00 0.00 C flip ATOM 1015 CE1 HIS A 65 12.513 -4.838 5.497 1.00 0.00 C flip ATOM 1016 NE2 HIS A 65 13.112 -4.504 6.626 1.00 0.00 N flip ATOM 0 H HIS A 65 8.427 -5.314 6.727 1.00 0.00 H new ATOM 0 HA HIS A 65 9.801 -4.685 9.171 1.00 0.00 H new ATOM 0 HB2 HIS A 65 9.095 -3.006 6.742 1.00 0.00 H new ATOM 0 HB3 HIS A 65 10.064 -2.437 8.087 1.00 0.00 H new ATOM 0 HD1 HIS A 65 10.458 -4.566 4.948 1.00 0.00 H new ATOM 0 HD2 HIS A 65 12.493 -3.569 8.460 1.00 0.00 H new ATOM 0 HE1 HIS A 65 12.960 -5.314 4.637 1.00 0.00 H new ATOM 1024 N PHE A 66 6.921 -3.222 8.562 1.00 0.00 N ATOM 1025 CA PHE A 66 5.792 -2.539 9.178 1.00 0.00 C ATOM 1026 C PHE A 66 4.857 -3.503 9.874 1.00 0.00 C ATOM 1027 O PHE A 66 4.729 -3.484 11.090 1.00 0.00 O ATOM 1028 CB PHE A 66 5.051 -1.726 8.123 1.00 0.00 C ATOM 1029 CG PHE A 66 5.929 -0.709 7.499 1.00 0.00 C ATOM 1030 CD1 PHE A 66 6.703 -1.042 6.412 1.00 0.00 C ATOM 1031 CD2 PHE A 66 6.019 0.558 8.020 1.00 0.00 C ATOM 1032 CE1 PHE A 66 7.547 -0.137 5.845 1.00 0.00 C ATOM 1033 CE2 PHE A 66 6.870 1.476 7.460 1.00 0.00 C ATOM 1034 CZ PHE A 66 7.636 1.120 6.365 1.00 0.00 C ATOM 0 H PHE A 66 6.820 -3.366 7.557 1.00 0.00 H new ATOM 0 HA PHE A 66 6.177 -1.868 9.945 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.664 -2.394 7.354 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.192 -1.234 8.579 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.640 -2.039 6.001 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.417 0.833 8.874 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.143 -0.413 4.988 1.00 0.00 H new ATOM 0 HE2 PHE A 66 6.942 2.472 7.872 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.307 1.840 5.920 1.00 0.00 H new ATOM 1044 N GLY A 67 4.223 -4.339 9.115 1.00 0.00 N ATOM 1045 CA GLY A 67 3.289 -5.279 9.666 1.00 0.00 C ATOM 1046 C GLY A 67 2.232 -5.585 8.662 1.00 0.00 C ATOM 1047 O GLY A 67 2.242 -4.981 7.618 1.00 0.00 O ATOM 0 H GLY A 67 4.334 -4.393 8.102 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.806 -6.194 9.954 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.838 -4.870 10.570 1.00 0.00 H new ATOM 1051 N PRO A 68 1.298 -6.495 8.953 1.00 0.00 N ATOM 1052 CA PRO A 68 0.262 -6.921 7.995 1.00 0.00 C ATOM 1053 C PRO A 68 -0.589 -5.774 7.449 1.00 0.00 C ATOM 1054 O PRO A 68 -0.563 -5.476 6.252 1.00 0.00 O ATOM 1055 CB PRO A 68 -0.603 -7.906 8.791 1.00 0.00 C ATOM 1056 CG PRO A 68 -0.233 -7.699 10.221 1.00 0.00 C ATOM 1057 CD PRO A 68 1.177 -7.199 10.233 1.00 0.00 C ATOM 0 HA PRO A 68 0.719 -7.356 7.106 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.664 -7.716 8.629 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.413 -8.934 8.482 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.902 -6.980 10.694 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.318 -8.630 10.781 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.360 -6.534 11.077 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.893 -8.017 10.311 1.00 0.00 H new ATOM 1065 N GLU A 69 -1.306 -5.114 8.319 1.00 0.00 N ATOM 1066 CA GLU A 69 -2.183 -4.044 7.886 1.00 0.00 C ATOM 1067 C GLU A 69 -1.455 -2.718 7.847 1.00 0.00 C ATOM 1068 O GLU A 69 -1.881 -1.786 7.164 1.00 0.00 O ATOM 1069 CB GLU A 69 -3.440 -3.987 8.717 1.00 0.00 C ATOM 1070 CG GLU A 69 -3.131 -3.819 10.131 1.00 0.00 C ATOM 1071 CD GLU A 69 -4.326 -3.846 11.018 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -4.764 -4.961 11.393 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -4.817 -2.787 11.406 1.00 0.00 O ATOM 0 H GLU A 69 -1.305 -5.291 9.324 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.496 -4.262 6.865 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.066 -3.161 8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.015 -4.902 8.574 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.445 -4.608 10.439 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.610 -2.871 10.269 1.00 0.00 H new ATOM 1080 N GLU A 70 -0.334 -2.646 8.560 1.00 0.00 N ATOM 1081 CA GLU A 70 0.496 -1.462 8.537 1.00 0.00 C ATOM 1082 C GLU A 70 1.092 -1.332 7.128 1.00 0.00 C ATOM 1083 O GLU A 70 1.130 -0.252 6.557 1.00 0.00 O ATOM 1084 CB GLU A 70 1.597 -1.565 9.595 1.00 0.00 C ATOM 1085 CG GLU A 70 2.310 -0.250 9.882 1.00 0.00 C ATOM 1086 CD GLU A 70 1.385 0.784 10.476 1.00 0.00 C ATOM 1087 OE1 GLU A 70 1.123 0.734 11.699 1.00 0.00 O ATOM 1088 OE2 GLU A 70 0.898 1.667 9.749 1.00 0.00 O ATOM 0 H GLU A 70 0.013 -3.396 9.157 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.094 -0.576 8.770 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.162 -1.939 10.521 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.332 -2.301 9.268 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.138 -0.430 10.567 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.739 0.137 8.958 1.00 0.00 H new ATOM 1095 N ALA A 71 1.525 -2.468 6.571 1.00 0.00 N ATOM 1096 CA ALA A 71 1.995 -2.545 5.187 1.00 0.00 C ATOM 1097 C ALA A 71 0.928 -2.051 4.234 1.00 0.00 C ATOM 1098 O ALA A 71 1.214 -1.271 3.328 1.00 0.00 O ATOM 1099 CB ALA A 71 2.336 -3.975 4.832 1.00 0.00 C ATOM 0 H ALA A 71 1.559 -3.358 7.068 1.00 0.00 H new ATOM 0 HA ALA A 71 2.882 -1.918 5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.685 -4.021 3.800 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.120 -4.338 5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.449 -4.599 4.943 1.00 0.00 H new ATOM 1105 N TRP A 72 -0.302 -2.502 4.455 1.00 0.00 N ATOM 1106 CA TRP A 72 -1.427 -2.106 3.627 1.00 0.00 C ATOM 1107 C TRP A 72 -1.630 -0.596 3.680 1.00 0.00 C ATOM 1108 O TRP A 72 -1.804 0.061 2.637 1.00 0.00 O ATOM 1109 CB TRP A 72 -2.707 -2.883 4.017 1.00 0.00 C ATOM 1110 CG TRP A 72 -3.962 -2.403 3.327 1.00 0.00 C ATOM 1111 CD1 TRP A 72 -5.166 -2.147 3.913 1.00 0.00 C ATOM 1112 CD2 TRP A 72 -4.118 -2.076 1.937 1.00 0.00 C ATOM 1113 NE1 TRP A 72 -6.061 -1.707 2.970 1.00 0.00 N ATOM 1114 CE2 TRP A 72 -5.439 -1.648 1.756 1.00 0.00 C ATOM 1115 CE3 TRP A 72 -3.268 -2.111 0.835 1.00 0.00 C ATOM 1116 CZ2 TRP A 72 -5.925 -1.250 0.524 1.00 0.00 C ATOM 1117 CZ3 TRP A 72 -3.746 -1.718 -0.384 1.00 0.00 C ATOM 1118 CH2 TRP A 72 -5.067 -1.292 -0.534 1.00 0.00 C ATOM 0 H TRP A 72 -0.543 -3.147 5.208 1.00 0.00 H new ATOM 0 HA TRP A 72 -1.203 -2.366 2.592 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.561 -3.938 3.787 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.848 -2.809 5.095 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.383 -2.272 4.964 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -7.035 -1.463 3.148 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.246 -2.444 0.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -6.946 -0.918 0.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.092 -1.737 -1.243 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -5.417 -0.989 -1.510 1.00 0.00 H new ATOM 1129 N ARG A 73 -1.562 -0.053 4.871 1.00 0.00 N ATOM 1130 CA ARG A 73 -1.673 1.368 5.068 1.00 0.00 C ATOM 1131 C ARG A 73 -0.572 2.091 4.303 1.00 0.00 C ATOM 1132 O ARG A 73 -0.844 3.011 3.534 1.00 0.00 O ATOM 1133 CB ARG A 73 -1.595 1.703 6.547 1.00 0.00 C ATOM 1134 CG ARG A 73 -1.529 3.188 6.844 1.00 0.00 C ATOM 1135 CD ARG A 73 -1.484 3.433 8.327 1.00 0.00 C ATOM 1136 NE ARG A 73 -2.711 2.977 8.976 1.00 0.00 N ATOM 1137 CZ ARG A 73 -2.777 2.266 10.098 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -1.673 1.787 10.667 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -3.965 2.005 10.631 1.00 0.00 N ATOM 0 H ARG A 73 -1.428 -0.586 5.730 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.639 1.700 4.688 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.465 1.281 7.050 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.716 1.219 6.972 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.646 3.619 6.372 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.397 3.689 6.414 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.627 2.915 8.758 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.342 4.497 8.518 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.594 3.226 8.530 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.763 1.964 10.242 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.738 1.243 11.528 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.813 2.349 10.180 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.030 1.461 11.491 1.00 0.00 H new ATOM 1153 N LEU A 74 0.656 1.626 4.485 1.00 0.00 N ATOM 1154 CA LEU A 74 1.821 2.181 3.815 1.00 0.00 C ATOM 1155 C LEU A 74 1.684 2.146 2.299 1.00 0.00 C ATOM 1156 O LEU A 74 2.211 3.002 1.622 1.00 0.00 O ATOM 1157 CB LEU A 74 3.120 1.485 4.275 1.00 0.00 C ATOM 1158 CG LEU A 74 3.897 2.119 5.461 1.00 0.00 C ATOM 1159 CD1 LEU A 74 4.532 3.448 5.061 1.00 0.00 C ATOM 1160 CD2 LEU A 74 3.009 2.315 6.682 1.00 0.00 C ATOM 0 H LEU A 74 0.872 0.847 5.107 1.00 0.00 H new ATOM 0 HA LEU A 74 1.882 3.230 4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.873 0.459 4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.795 1.435 3.420 1.00 0.00 H new ATOM 0 HG LEU A 74 4.688 1.418 5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.068 3.866 5.913 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.228 3.286 4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.754 4.143 4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.592 2.761 7.488 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.179 2.974 6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.619 1.350 7.007 1.00 0.00 H new ATOM 1172 N ALA A 75 0.971 1.175 1.773 1.00 0.00 N ATOM 1173 CA ALA A 75 0.758 1.124 0.348 1.00 0.00 C ATOM 1174 C ALA A 75 -0.366 2.053 -0.089 1.00 0.00 C ATOM 1175 O ALA A 75 -0.129 2.947 -0.897 1.00 0.00 O ATOM 1176 CB ALA A 75 0.555 -0.295 -0.159 1.00 0.00 C ATOM 0 H ALA A 75 0.535 0.421 2.304 1.00 0.00 H new ATOM 0 HA ALA A 75 1.674 1.488 -0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.399 -0.277 -1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.437 -0.893 0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.317 -0.734 0.327 1.00 0.00 H new ATOM 1182 N LEU A 76 -1.563 1.908 0.492 1.00 0.00 N ATOM 1183 CA LEU A 76 -2.726 2.700 0.045 1.00 0.00 C ATOM 1184 C LEU A 76 -2.482 4.197 0.249 1.00 0.00 C ATOM 1185 O LEU A 76 -2.699 4.998 -0.654 1.00 0.00 O ATOM 1186 CB LEU A 76 -4.060 2.221 0.719 1.00 0.00 C ATOM 1187 CG LEU A 76 -4.333 2.627 2.192 1.00 0.00 C ATOM 1188 CD1 LEU A 76 -4.994 3.997 2.277 1.00 0.00 C ATOM 1189 CD2 LEU A 76 -5.187 1.604 2.897 1.00 0.00 C ATOM 0 H LEU A 76 -1.755 1.263 1.259 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.846 2.531 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.888 2.591 0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.087 1.133 0.665 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.365 2.675 2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.171 4.251 3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.341 4.745 1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.944 3.977 1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.358 1.920 3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.143 1.511 2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.678 0.640 2.894 1.00 0.00 H new ATOM 1201 N SER A 77 -1.939 4.544 1.396 1.00 0.00 N ATOM 1202 CA SER A 77 -1.677 5.914 1.756 1.00 0.00 C ATOM 1203 C SER A 77 -0.469 6.489 0.994 1.00 0.00 C ATOM 1204 O SER A 77 -0.141 7.665 1.124 1.00 0.00 O ATOM 1205 CB SER A 77 -1.504 6.013 3.274 1.00 0.00 C ATOM 1206 OG SER A 77 -2.729 5.746 3.954 1.00 0.00 O ATOM 0 H SER A 77 -1.665 3.871 2.112 1.00 0.00 H new ATOM 0 HA SER A 77 -2.530 6.525 1.462 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.742 5.306 3.602 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.149 7.009 3.537 1.00 0.00 H new ATOM 0 HG SER A 77 -2.588 5.815 4.921 1.00 0.00 H new ATOM 1212 N THR A 78 0.198 5.664 0.219 1.00 0.00 N ATOM 1213 CA THR A 78 1.262 6.134 -0.625 1.00 0.00 C ATOM 1214 C THR A 78 0.786 6.146 -2.083 1.00 0.00 C ATOM 1215 O THR A 78 1.325 6.880 -2.907 1.00 0.00 O ATOM 1216 CB THR A 78 2.553 5.301 -0.431 1.00 0.00 C ATOM 1217 OG1 THR A 78 2.950 5.391 0.943 1.00 0.00 O ATOM 1218 CG2 THR A 78 3.699 5.804 -1.300 1.00 0.00 C ATOM 0 H THR A 78 0.018 4.662 0.159 1.00 0.00 H new ATOM 0 HA THR A 78 1.520 7.154 -0.342 1.00 0.00 H new ATOM 0 HB THR A 78 2.337 4.273 -0.722 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.789 4.532 1.387 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.582 5.189 -1.129 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.413 5.744 -2.350 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.923 6.839 -1.043 1.00 0.00 H new ATOM 1226 N PHE A 79 -0.285 5.387 -2.381 1.00 0.00 N ATOM 1227 CA PHE A 79 -0.877 5.394 -3.716 1.00 0.00 C ATOM 1228 C PHE A 79 -1.293 6.829 -4.063 1.00 0.00 C ATOM 1229 O PHE A 79 -0.966 7.346 -5.110 1.00 0.00 O ATOM 1230 CB PHE A 79 -2.109 4.466 -3.820 1.00 0.00 C ATOM 1231 CG PHE A 79 -1.860 2.985 -3.698 1.00 0.00 C ATOM 1232 CD1 PHE A 79 -0.626 2.425 -3.988 1.00 0.00 C ATOM 1233 CD2 PHE A 79 -2.882 2.150 -3.277 1.00 0.00 C ATOM 1234 CE1 PHE A 79 -0.426 1.066 -3.858 1.00 0.00 C ATOM 1235 CE2 PHE A 79 -2.683 0.795 -3.147 1.00 0.00 C ATOM 1236 CZ PHE A 79 -1.453 0.253 -3.436 1.00 0.00 C ATOM 0 H PHE A 79 -0.749 4.769 -1.716 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.129 5.021 -4.416 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.818 4.756 -3.045 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.593 4.651 -4.779 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.185 3.057 -4.318 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.850 2.569 -3.047 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.539 0.639 -4.088 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.491 0.158 -2.819 1.00 0.00 H new ATOM 0 HZ PHE A 79 -1.293 -0.810 -3.332 1.00 0.00 H new ATOM 1246 N GLU A 80 -1.956 7.481 -3.124 1.00 0.00 N ATOM 1247 CA GLU A 80 -2.378 8.888 -3.269 1.00 0.00 C ATOM 1248 C GLU A 80 -1.165 9.829 -3.465 1.00 0.00 C ATOM 1249 O GLU A 80 -1.266 10.858 -4.114 1.00 0.00 O ATOM 1250 CB GLU A 80 -3.156 9.331 -2.021 1.00 0.00 C ATOM 1251 CG GLU A 80 -2.434 8.957 -0.747 1.00 0.00 C ATOM 1252 CD GLU A 80 -2.942 9.626 0.511 1.00 0.00 C ATOM 1253 OE1 GLU A 80 -2.451 10.728 0.836 1.00 0.00 O ATOM 1254 OE2 GLU A 80 -3.797 9.072 1.217 1.00 0.00 O ATOM 0 H GLU A 80 -2.223 7.061 -2.234 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.013 8.952 -4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.306 10.410 -2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.144 8.872 -2.027 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.501 7.877 -0.616 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.378 9.198 -0.865 1.00 0.00 H new ATOM 1261 N ARG A 81 -0.024 9.434 -2.933 1.00 0.00 N ATOM 1262 CA ARG A 81 1.172 10.272 -2.923 1.00 0.00 C ATOM 1263 C ARG A 81 1.967 10.147 -4.216 1.00 0.00 C ATOM 1264 O ARG A 81 2.731 11.037 -4.579 1.00 0.00 O ATOM 1265 CB ARG A 81 2.052 9.894 -1.728 1.00 0.00 C ATOM 1266 CG ARG A 81 1.344 10.024 -0.389 1.00 0.00 C ATOM 1267 CD ARG A 81 0.944 11.454 -0.108 1.00 0.00 C ATOM 1268 NE ARG A 81 0.070 11.586 1.065 1.00 0.00 N ATOM 1269 CZ ARG A 81 0.374 12.278 2.168 1.00 0.00 C ATOM 1270 NH1 ARG A 81 1.627 12.613 2.423 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -0.566 12.553 3.061 1.00 0.00 N ATOM 0 H ARG A 81 0.106 8.523 -2.494 1.00 0.00 H new ATOM 0 HA ARG A 81 0.853 11.311 -2.836 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.395 8.867 -1.850 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.938 10.528 -1.725 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.458 9.390 -0.382 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.998 9.666 0.406 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.842 12.053 0.046 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.435 11.861 -0.981 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.835 11.116 1.036 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.369 12.344 1.777 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.852 13.141 3.266 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.523 12.237 2.908 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.332 13.081 3.902 1.00 0.00 H new ATOM 1285 N ILE A 82 1.780 9.051 -4.911 1.00 0.00 N ATOM 1286 CA ILE A 82 2.527 8.791 -6.138 1.00 0.00 C ATOM 1287 C ILE A 82 1.646 9.038 -7.365 1.00 0.00 C ATOM 1288 O ILE A 82 2.020 8.717 -8.505 1.00 0.00 O ATOM 1289 CB ILE A 82 3.072 7.336 -6.150 1.00 0.00 C ATOM 1290 CG1 ILE A 82 1.921 6.314 -6.192 1.00 0.00 C ATOM 1291 CG2 ILE A 82 3.937 7.109 -4.914 1.00 0.00 C ATOM 1292 CD1 ILE A 82 2.365 4.865 -6.263 1.00 0.00 C ATOM 0 H ILE A 82 1.118 8.318 -4.655 1.00 0.00 H new ATOM 0 HA ILE A 82 3.373 9.477 -6.174 1.00 0.00 H new ATOM 0 HB ILE A 82 3.675 7.195 -7.047 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.302 6.447 -5.305 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.292 6.530 -7.056 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.320 6.089 -4.921 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.771 7.810 -4.920 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.338 7.266 -4.017 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.489 4.217 -6.289 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.958 4.710 -7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.968 4.626 -5.387 1.00 0.00 H new ATOM 1304 N ASN A 83 0.504 9.662 -7.102 1.00 0.00 N ATOM 1305 CA ASN A 83 -0.540 9.937 -8.090 1.00 0.00 C ATOM 1306 C ASN A 83 -1.112 8.632 -8.631 1.00 0.00 C ATOM 1307 O ASN A 83 -0.992 8.287 -9.807 1.00 0.00 O ATOM 1308 CB ASN A 83 -0.094 10.882 -9.225 1.00 0.00 C ATOM 1309 CG ASN A 83 -1.255 11.328 -10.123 1.00 0.00 C ATOM 1310 OD1 ASN A 83 -2.418 11.568 -9.546 1.00 0.00 O flip ATOM 1311 ND2 ASN A 83 -1.083 11.518 -11.338 1.00 0.00 N flip ATOM 0 H ASN A 83 0.269 10.002 -6.169 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.328 10.479 -7.568 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.382 11.762 -8.792 1.00 0.00 H new ATOM 0 HB3 ASN A 83 0.658 10.380 -9.834 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -0.175 11.325 -11.761 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.850 11.867 -11.913 1.00 0.00 H new ATOM 1318 N ARG A 84 -1.622 7.880 -7.717 1.00 0.00 N ATOM 1319 CA ARG A 84 -2.280 6.633 -7.958 1.00 0.00 C ATOM 1320 C ARG A 84 -3.536 6.662 -7.088 1.00 0.00 C ATOM 1321 O ARG A 84 -3.911 5.702 -6.405 1.00 0.00 O ATOM 1322 CB ARG A 84 -1.314 5.478 -7.594 1.00 0.00 C ATOM 1323 CG ARG A 84 -1.865 4.075 -7.766 1.00 0.00 C ATOM 1324 CD ARG A 84 -2.415 3.854 -9.154 1.00 0.00 C ATOM 1325 NE ARG A 84 -1.390 4.023 -10.206 1.00 0.00 N ATOM 1326 CZ ARG A 84 -1.524 3.645 -11.489 1.00 0.00 C ATOM 1327 NH1 ARG A 84 -2.621 3.031 -11.905 1.00 0.00 N ATOM 1328 NH2 ARG A 84 -0.538 3.868 -12.335 1.00 0.00 N ATOM 0 H ARG A 84 -1.592 8.128 -6.728 1.00 0.00 H new ATOM 0 HA ARG A 84 -2.560 6.478 -9.000 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.417 5.573 -8.207 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.005 5.602 -6.556 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.077 3.348 -7.568 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.651 3.901 -7.032 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.835 2.850 -9.219 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.232 4.553 -9.332 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.510 4.462 -9.936 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.378 2.839 -11.249 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.709 2.750 -12.882 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.316 4.323 -12.014 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.629 3.585 -13.311 1.00 0.00 H new ATOM 1342 N LYS A 85 -4.226 7.770 -7.220 1.00 0.00 N ATOM 1343 CA LYS A 85 -5.381 8.101 -6.450 1.00 0.00 C ATOM 1344 C LYS A 85 -6.514 7.179 -6.815 1.00 0.00 C ATOM 1345 O LYS A 85 -7.359 6.865 -5.988 1.00 0.00 O ATOM 1346 CB LYS A 85 -5.727 9.576 -6.700 1.00 0.00 C ATOM 1347 CG LYS A 85 -7.132 10.007 -6.311 1.00 0.00 C ATOM 1348 CD LYS A 85 -7.391 11.449 -6.692 1.00 0.00 C ATOM 1349 CE LYS A 85 -8.833 11.850 -6.413 1.00 0.00 C ATOM 1350 NZ LYS A 85 -9.795 11.100 -7.256 1.00 0.00 N ATOM 0 H LYS A 85 -3.979 8.490 -7.899 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.191 7.970 -5.385 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.015 10.193 -6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.584 9.787 -7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.861 9.362 -6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.268 9.882 -5.237 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.717 12.100 -6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.171 11.592 -7.750 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.060 11.675 -5.361 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.952 12.919 -6.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.756 11.464 -7.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.544 11.219 -8.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.761 10.091 -7.008 1.00 0.00 H new ATOM 1364 N ASP A 86 -6.470 6.686 -8.039 1.00 0.00 N ATOM 1365 CA ASP A 86 -7.481 5.788 -8.542 1.00 0.00 C ATOM 1366 C ASP A 86 -7.584 4.553 -7.664 1.00 0.00 C ATOM 1367 O ASP A 86 -8.637 4.249 -7.117 1.00 0.00 O ATOM 1368 CB ASP A 86 -7.187 5.342 -9.977 1.00 0.00 C ATOM 1369 CG ASP A 86 -7.220 6.449 -10.983 1.00 0.00 C ATOM 1370 OD1 ASP A 86 -6.226 7.185 -11.093 1.00 0.00 O ATOM 1371 OD2 ASP A 86 -8.237 6.596 -11.701 1.00 0.00 O ATOM 0 H ASP A 86 -5.731 6.900 -8.709 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.422 6.338 -8.530 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.205 4.870 -10.005 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.914 4.582 -10.265 1.00 0.00 H new ATOM 1376 N LEU A 87 -6.454 3.900 -7.487 1.00 0.00 N ATOM 1377 CA LEU A 87 -6.342 2.650 -6.734 1.00 0.00 C ATOM 1378 C LEU A 87 -6.434 2.949 -5.241 1.00 0.00 C ATOM 1379 O LEU A 87 -6.832 2.113 -4.450 1.00 0.00 O ATOM 1380 CB LEU A 87 -4.980 2.047 -7.026 1.00 0.00 C ATOM 1381 CG LEU A 87 -4.804 0.577 -6.766 1.00 0.00 C ATOM 1382 CD1 LEU A 87 -5.687 -0.231 -7.709 1.00 0.00 C ATOM 1383 CD2 LEU A 87 -3.348 0.199 -6.934 1.00 0.00 C ATOM 0 H LEU A 87 -5.564 4.223 -7.867 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.140 1.965 -7.019 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.747 2.234 -8.074 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.240 2.585 -6.434 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.105 0.353 -5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.552 -1.295 -7.512 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.731 0.038 -7.549 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.410 -0.015 -8.741 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.225 -0.867 -6.745 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.028 0.426 -7.951 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.741 0.765 -6.228 1.00 0.00 H new ATOM 1395 N TRP A 88 -6.046 4.141 -4.887 1.00 0.00 N ATOM 1396 CA TRP A 88 -6.120 4.635 -3.532 1.00 0.00 C ATOM 1397 C TRP A 88 -7.579 4.697 -3.055 1.00 0.00 C ATOM 1398 O TRP A 88 -7.887 4.313 -1.924 1.00 0.00 O ATOM 1399 CB TRP A 88 -5.459 5.998 -3.502 1.00 0.00 C ATOM 1400 CG TRP A 88 -5.744 6.790 -2.281 1.00 0.00 C ATOM 1401 CD1 TRP A 88 -5.269 6.581 -1.035 1.00 0.00 C ATOM 1402 CD2 TRP A 88 -6.589 7.931 -2.204 1.00 0.00 C ATOM 1403 NE1 TRP A 88 -5.764 7.524 -0.189 1.00 0.00 N ATOM 1404 CE2 TRP A 88 -6.579 8.366 -0.883 1.00 0.00 C ATOM 1405 CE3 TRP A 88 -7.345 8.623 -3.132 1.00 0.00 C ATOM 1406 CZ2 TRP A 88 -7.306 9.471 -0.460 1.00 0.00 C ATOM 1407 CZ3 TRP A 88 -8.069 9.718 -2.720 1.00 0.00 C ATOM 1408 CH2 TRP A 88 -8.042 10.133 -1.393 1.00 0.00 C ATOM 0 H TRP A 88 -5.659 4.817 -5.546 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.601 3.963 -2.849 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -4.381 5.867 -3.592 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -5.785 6.566 -4.373 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.597 5.784 -0.752 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.557 7.590 0.808 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.367 8.309 -4.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.288 9.793 0.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -8.666 10.262 -3.437 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -8.617 10.998 -1.097 1.00 0.00 H new ATOM 1419 N GLU A 89 -8.468 5.146 -3.934 1.00 0.00 N ATOM 1420 CA GLU A 89 -9.903 5.190 -3.643 1.00 0.00 C ATOM 1421 C GLU A 89 -10.461 3.774 -3.515 1.00 0.00 C ATOM 1422 O GLU A 89 -11.451 3.532 -2.831 1.00 0.00 O ATOM 1423 CB GLU A 89 -10.641 5.972 -4.725 1.00 0.00 C ATOM 1424 CG GLU A 89 -10.235 7.432 -4.785 1.00 0.00 C ATOM 1425 CD GLU A 89 -10.917 8.190 -5.881 1.00 0.00 C ATOM 1426 OE1 GLU A 89 -12.107 8.518 -5.733 1.00 0.00 O ATOM 1427 OE2 GLU A 89 -10.274 8.507 -6.906 1.00 0.00 O ATOM 0 H GLU A 89 -8.221 5.488 -4.863 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.053 5.702 -2.693 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.452 5.508 -5.693 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.714 5.906 -4.544 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.462 7.905 -3.830 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.156 7.497 -4.924 1.00 0.00 H new ATOM 1434 N ARG A 90 -9.776 2.838 -4.157 1.00 0.00 N ATOM 1435 CA ARG A 90 -10.105 1.407 -4.083 1.00 0.00 C ATOM 1436 C ARG A 90 -9.663 0.850 -2.731 1.00 0.00 C ATOM 1437 O ARG A 90 -10.075 -0.238 -2.318 1.00 0.00 O ATOM 1438 CB ARG A 90 -9.414 0.623 -5.224 1.00 0.00 C ATOM 1439 CG ARG A 90 -10.126 0.617 -6.580 1.00 0.00 C ATOM 1440 CD ARG A 90 -10.556 1.985 -7.043 1.00 0.00 C ATOM 1441 NE ARG A 90 -11.371 1.940 -8.259 1.00 0.00 N ATOM 1442 CZ ARG A 90 -11.593 2.994 -9.065 1.00 0.00 C ATOM 1443 NH1 ARG A 90 -10.921 4.138 -8.873 1.00 0.00 N ATOM 1444 NH2 ARG A 90 -12.461 2.891 -10.066 1.00 0.00 N ATOM 0 H ARG A 90 -8.971 3.043 -4.749 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.183 1.292 -4.192 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.415 1.036 -5.365 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.289 -0.410 -4.900 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.462 0.182 -7.327 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.002 -0.028 -6.518 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.122 2.471 -6.249 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.672 2.597 -7.225 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.799 1.049 -8.512 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.241 4.209 -8.116 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.089 4.937 -9.484 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.958 2.014 -10.222 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.631 3.689 -10.678 1.00 0.00 H new ATOM 1458 N GLY A 91 -8.826 1.610 -2.059 1.00 0.00 N ATOM 1459 CA GLY A 91 -8.348 1.240 -0.774 1.00 0.00 C ATOM 1460 C GLY A 91 -9.136 1.917 0.322 1.00 0.00 C ATOM 1461 O GLY A 91 -9.812 1.253 1.101 1.00 0.00 O ATOM 0 H GLY A 91 -8.466 2.501 -2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.414 0.158 -0.657 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.295 1.507 -0.685 1.00 0.00 H new