USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=17 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= 0.113 USER MOD Single : A 16 SER OG : rot 77:sc= 1.23 USER MOD Single : A 17 THR OG1 : rot 84:sc= 1.18 USER MOD Single : A 18 TYR OH : rot -104:sc= 1.23 USER MOD Single : A 28 LYS NZ :NH3+ 163:sc= 0.43 (180deg=-0.167) USER MOD Single : A 29 LYS NZ :NH3+ 148:sc= 1.27 (180deg=0.2) USER MOD Single : A 31 LYS NZ :NH3+ -157:sc= -0.0655! (180deg=-1.37!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0.826 USER MOD Single : A 36 THR OG1 : rot 170:sc= -0.133 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0258 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -157:sc= -0.11 (180deg=-0.579) USER MOD Single : A 58 MET CE :methyl 149:sc= -2.22! (180deg=-3.71!) USER MOD Single : A 60 GLN : amide:sc= 0.0624 X(o=0.062,f=-0.022) USER MOD Single : A 64 THR OG1 : rot 112:sc= 1.22 USER MOD Single : A 65 HIS : no HD1:sc= -2.07! K(o=-2.1!,f=-1.1) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 110:sc= 1.25 USER MOD Single : A 83 ASN : amide:sc= -0.895 K(o=-0.9,f=-0.013) USER MOD Single : A 85 LYS NZ :NH3+ 174:sc= -0.362 (180deg=-0.438) USER MOD ----------------------------------------------------------------- ATOM 154 N GLY A 11 -4.608 -9.312 4.548 1.00 0.00 N ATOM 155 CA GLY A 11 -4.027 -8.053 4.226 1.00 0.00 C ATOM 156 C GLY A 11 -2.913 -8.229 3.237 1.00 0.00 C ATOM 157 O GLY A 11 -2.810 -7.473 2.296 1.00 0.00 O ATOM 0 HA2 GLY A 11 -4.787 -7.390 3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.647 -7.579 5.131 1.00 0.00 H new ATOM 161 N LEU A 12 -2.121 -9.289 3.419 1.00 0.00 N ATOM 162 CA LEU A 12 -0.959 -9.587 2.553 1.00 0.00 C ATOM 163 C LEU A 12 -1.413 -9.759 1.109 1.00 0.00 C ATOM 164 O LEU A 12 -0.899 -9.122 0.191 1.00 0.00 O ATOM 165 CB LEU A 12 -0.253 -10.878 3.063 1.00 0.00 C ATOM 166 CG LEU A 12 1.111 -11.310 2.419 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.933 -11.968 1.054 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.055 -10.122 2.300 1.00 0.00 C ATOM 0 H LEU A 12 -2.260 -9.968 4.167 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.253 -8.757 2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.087 -10.760 4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.952 -11.705 2.938 1.00 0.00 H new ATOM 0 HG LEU A 12 1.546 -12.053 3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.908 -12.247 0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.315 -12.860 1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.449 -11.268 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.994 -10.447 1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.599 -9.356 1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.250 -9.711 3.291 1.00 0.00 H new ATOM 180 N CYS A 13 -2.382 -10.605 0.941 1.00 0.00 N ATOM 181 CA CYS A 13 -2.953 -10.934 -0.349 1.00 0.00 C ATOM 182 C CYS A 13 -3.584 -9.686 -1.012 1.00 0.00 C ATOM 183 O CYS A 13 -3.471 -9.471 -2.221 1.00 0.00 O ATOM 184 CB CYS A 13 -3.999 -11.990 -0.085 1.00 0.00 C ATOM 185 SG CYS A 13 -3.374 -13.366 0.908 1.00 0.00 S ATOM 0 H CYS A 13 -2.818 -11.106 1.715 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.189 -11.295 -1.038 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.847 -11.535 0.427 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.369 -12.373 -1.036 1.00 0.00 H new ATOM 0 HG CYS A 13 -4.325 -14.232 1.097 1.00 0.00 H new ATOM 191 N ARG A 14 -4.178 -8.855 -0.183 1.00 0.00 N ATOM 192 CA ARG A 14 -4.850 -7.629 -0.598 1.00 0.00 C ATOM 193 C ARG A 14 -3.802 -6.613 -1.063 1.00 0.00 C ATOM 194 O ARG A 14 -3.918 -6.010 -2.132 1.00 0.00 O ATOM 195 CB ARG A 14 -5.634 -7.127 0.619 1.00 0.00 C ATOM 196 CG ARG A 14 -6.509 -5.899 0.440 1.00 0.00 C ATOM 197 CD ARG A 14 -7.349 -5.707 1.706 1.00 0.00 C ATOM 198 NE ARG A 14 -8.186 -6.904 1.947 1.00 0.00 N ATOM 199 CZ ARG A 14 -8.261 -7.618 3.091 1.00 0.00 C ATOM 200 NH1 ARG A 14 -7.683 -7.194 4.216 1.00 0.00 N ATOM 201 NH2 ARG A 14 -8.936 -8.759 3.096 1.00 0.00 N ATOM 0 H ARG A 14 -4.211 -9.011 0.824 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.532 -7.791 -1.433 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.268 -7.942 0.968 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.919 -6.916 1.414 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.892 -5.019 0.258 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.156 -6.019 -0.429 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.697 -5.531 2.561 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.982 -4.826 1.602 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.765 -7.222 1.170 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.170 -6.312 4.225 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.754 -7.751 5.067 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.390 -9.087 2.243 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.001 -9.309 3.952 1.00 0.00 H new ATOM 215 N LEU A 15 -2.768 -6.497 -0.262 1.00 0.00 N ATOM 216 CA LEU A 15 -1.630 -5.638 -0.496 1.00 0.00 C ATOM 217 C LEU A 15 -0.954 -6.007 -1.820 1.00 0.00 C ATOM 218 O LEU A 15 -0.747 -5.148 -2.684 1.00 0.00 O ATOM 219 CB LEU A 15 -0.660 -5.835 0.679 1.00 0.00 C ATOM 220 CG LEU A 15 0.642 -5.055 0.680 1.00 0.00 C ATOM 221 CD1 LEU A 15 0.375 -3.579 0.705 1.00 0.00 C ATOM 222 CD2 LEU A 15 1.476 -5.450 1.879 1.00 0.00 C ATOM 0 H LEU A 15 -2.694 -7.022 0.609 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.939 -4.595 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.195 -5.588 1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.412 -6.895 0.730 1.00 0.00 H new ATOM 0 HG LEU A 15 1.189 -5.291 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.321 -3.038 0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.203 -3.299 -0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.188 -3.326 1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.409 -4.887 1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.925 -5.231 2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.696 -6.517 1.834 1.00 0.00 H new ATOM 234 N SER A 16 -0.674 -7.294 -1.977 1.00 0.00 N ATOM 235 CA SER A 16 -0.014 -7.826 -3.159 1.00 0.00 C ATOM 236 C SER A 16 -0.765 -7.456 -4.439 1.00 0.00 C ATOM 237 O SER A 16 -0.181 -6.902 -5.364 1.00 0.00 O ATOM 238 CB SER A 16 0.113 -9.354 -3.042 1.00 0.00 C ATOM 239 OG SER A 16 0.799 -9.726 -1.853 1.00 0.00 O ATOM 0 H SER A 16 -0.901 -8.003 -1.280 1.00 0.00 H new ATOM 0 HA SER A 16 0.979 -7.381 -3.219 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.879 -9.805 -3.048 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.646 -9.744 -3.909 1.00 0.00 H new ATOM 0 HG SER A 16 0.196 -9.635 -1.086 1.00 0.00 H new ATOM 245 N THR A 17 -2.067 -7.693 -4.441 1.00 0.00 N ATOM 246 CA THR A 17 -2.897 -7.495 -5.615 1.00 0.00 C ATOM 247 C THR A 17 -2.912 -6.030 -6.109 1.00 0.00 C ATOM 248 O THR A 17 -2.871 -5.771 -7.329 1.00 0.00 O ATOM 249 CB THR A 17 -4.316 -8.007 -5.336 1.00 0.00 C ATOM 250 OG1 THR A 17 -4.217 -9.386 -4.890 1.00 0.00 O ATOM 251 CG2 THR A 17 -5.179 -7.950 -6.590 1.00 0.00 C ATOM 0 H THR A 17 -2.578 -8.029 -3.625 1.00 0.00 H new ATOM 0 HA THR A 17 -2.458 -8.073 -6.428 1.00 0.00 H new ATOM 0 HB THR A 17 -4.780 -7.378 -4.576 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.030 -9.406 -3.928 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.179 -8.319 -6.361 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.244 -6.920 -6.940 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.733 -8.570 -7.367 1.00 0.00 H new ATOM 259 N TYR A 18 -2.922 -5.084 -5.185 1.00 0.00 N ATOM 260 CA TYR A 18 -2.918 -3.679 -5.563 1.00 0.00 C ATOM 261 C TYR A 18 -1.543 -3.217 -5.992 1.00 0.00 C ATOM 262 O TYR A 18 -1.412 -2.351 -6.854 1.00 0.00 O ATOM 263 CB TYR A 18 -3.481 -2.782 -4.466 1.00 0.00 C ATOM 264 CG TYR A 18 -4.972 -2.912 -4.289 1.00 0.00 C ATOM 265 CD1 TYR A 18 -5.833 -2.553 -5.314 1.00 0.00 C ATOM 266 CD2 TYR A 18 -5.523 -3.390 -3.115 1.00 0.00 C ATOM 267 CE1 TYR A 18 -7.197 -2.661 -5.175 1.00 0.00 C ATOM 268 CE2 TYR A 18 -6.891 -3.499 -2.962 1.00 0.00 C ATOM 269 CZ TYR A 18 -7.722 -3.130 -3.996 1.00 0.00 C ATOM 270 OH TYR A 18 -9.079 -3.242 -3.855 1.00 0.00 O ATOM 0 H TYR A 18 -2.933 -5.258 -4.180 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.582 -3.590 -6.423 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.989 -3.022 -3.523 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.240 -1.744 -4.697 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.424 -2.181 -6.242 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.873 -3.683 -2.304 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -7.851 -2.379 -5.987 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.306 -3.871 -2.037 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.411 -2.509 -3.296 1.00 0.00 H new ATOM 280 N LEU A 19 -0.518 -3.822 -5.433 1.00 0.00 N ATOM 281 CA LEU A 19 0.844 -3.475 -5.793 1.00 0.00 C ATOM 282 C LEU A 19 1.226 -4.040 -7.153 1.00 0.00 C ATOM 283 O LEU A 19 2.206 -3.621 -7.746 1.00 0.00 O ATOM 284 CB LEU A 19 1.838 -3.906 -4.707 1.00 0.00 C ATOM 285 CG LEU A 19 1.738 -3.152 -3.374 1.00 0.00 C ATOM 286 CD1 LEU A 19 2.683 -3.752 -2.358 1.00 0.00 C ATOM 287 CD2 LEU A 19 2.054 -1.673 -3.570 1.00 0.00 C ATOM 0 H LEU A 19 -0.599 -4.555 -4.729 1.00 0.00 H new ATOM 0 HA LEU A 19 0.892 -2.389 -5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.697 -4.969 -4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.849 -3.784 -5.097 1.00 0.00 H new ATOM 0 HG LEU A 19 0.717 -3.245 -3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.601 -3.207 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.425 -4.798 -2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.706 -3.684 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.978 -1.155 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.066 -1.566 -3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.345 -1.240 -4.275 1.00 0.00 H new ATOM 299 N GLU A 20 0.430 -4.984 -7.653 1.00 0.00 N ATOM 300 CA GLU A 20 0.654 -5.557 -8.978 1.00 0.00 C ATOM 301 C GLU A 20 0.247 -4.581 -10.066 1.00 0.00 C ATOM 302 O GLU A 20 0.643 -4.724 -11.217 1.00 0.00 O ATOM 303 CB GLU A 20 -0.080 -6.889 -9.154 1.00 0.00 C ATOM 304 CG GLU A 20 0.379 -7.967 -8.195 1.00 0.00 C ATOM 305 CD GLU A 20 -0.305 -9.281 -8.416 1.00 0.00 C ATOM 306 OE1 GLU A 20 -1.452 -9.449 -7.991 1.00 0.00 O ATOM 307 OE2 GLU A 20 0.314 -10.202 -9.015 1.00 0.00 O ATOM 0 H GLU A 20 -0.376 -5.368 -7.160 1.00 0.00 H new ATOM 0 HA GLU A 20 1.722 -5.753 -9.067 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.149 -6.725 -9.018 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.062 -7.240 -10.176 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.456 -8.103 -8.299 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.196 -7.637 -7.172 1.00 0.00 H new ATOM 314 N GLU A 21 -0.530 -3.576 -9.691 1.00 0.00 N ATOM 315 CA GLU A 21 -0.966 -2.565 -10.634 1.00 0.00 C ATOM 316 C GLU A 21 0.134 -1.538 -10.849 1.00 0.00 C ATOM 317 O GLU A 21 0.085 -0.732 -11.787 1.00 0.00 O ATOM 318 CB GLU A 21 -2.221 -1.866 -10.138 1.00 0.00 C ATOM 319 CG GLU A 21 -3.403 -2.784 -9.908 1.00 0.00 C ATOM 320 CD GLU A 21 -3.785 -3.544 -11.143 1.00 0.00 C ATOM 321 OE1 GLU A 21 -4.448 -2.980 -12.028 1.00 0.00 O ATOM 322 OE2 GLU A 21 -3.444 -4.724 -11.247 1.00 0.00 O ATOM 0 H GLU A 21 -0.870 -3.441 -8.739 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.191 -3.060 -11.579 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.990 -1.351 -9.205 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.506 -1.102 -10.861 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.163 -3.488 -9.111 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.256 -2.196 -9.568 1.00 0.00 H new ATOM 329 N LEU A 22 1.118 -1.568 -9.994 1.00 0.00 N ATOM 330 CA LEU A 22 2.215 -0.656 -10.078 1.00 0.00 C ATOM 331 C LEU A 22 3.404 -1.383 -10.655 1.00 0.00 C ATOM 332 O LEU A 22 3.694 -2.513 -10.266 1.00 0.00 O ATOM 333 CB LEU A 22 2.563 -0.096 -8.695 1.00 0.00 C ATOM 334 CG LEU A 22 1.452 0.651 -7.947 1.00 0.00 C ATOM 335 CD1 LEU A 22 1.976 1.166 -6.625 1.00 0.00 C ATOM 336 CD2 LEU A 22 0.893 1.799 -8.782 1.00 0.00 C ATOM 0 H LEU A 22 1.178 -2.228 -9.219 1.00 0.00 H new ATOM 0 HA LEU A 22 1.940 0.181 -10.720 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.896 -0.923 -8.068 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.410 0.581 -8.807 1.00 0.00 H new ATOM 0 HG LEU A 22 0.638 -0.049 -7.761 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.181 1.695 -6.100 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.317 0.328 -6.017 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.808 1.847 -6.804 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.108 2.307 -8.222 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.691 2.505 -9.010 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.480 1.406 -9.711 1.00 0.00 H new ATOM 348 N GLU A 23 4.057 -0.771 -11.597 1.00 0.00 N ATOM 349 CA GLU A 23 5.209 -1.375 -12.204 1.00 0.00 C ATOM 350 C GLU A 23 6.489 -0.906 -11.493 1.00 0.00 C ATOM 351 O GLU A 23 6.401 -0.217 -10.484 1.00 0.00 O ATOM 352 CB GLU A 23 5.259 -1.035 -13.675 1.00 0.00 C ATOM 353 CG GLU A 23 5.602 0.394 -13.993 1.00 0.00 C ATOM 354 CD GLU A 23 6.586 0.437 -15.110 1.00 0.00 C ATOM 355 OE1 GLU A 23 6.175 0.450 -16.282 1.00 0.00 O ATOM 356 OE2 GLU A 23 7.805 0.399 -14.821 1.00 0.00 O ATOM 0 H GLU A 23 3.812 0.149 -11.964 1.00 0.00 H new ATOM 0 HA GLU A 23 5.137 -2.458 -12.103 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.992 -1.683 -14.156 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.290 -1.266 -14.118 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.701 0.942 -14.268 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.016 0.884 -13.112 1.00 0.00 H new ATOM 363 N ALA A 24 7.660 -1.246 -12.046 1.00 0.00 N ATOM 364 CA ALA A 24 8.965 -0.915 -11.448 1.00 0.00 C ATOM 365 C ALA A 24 9.100 0.568 -11.104 1.00 0.00 C ATOM 366 O ALA A 24 9.434 0.913 -9.963 1.00 0.00 O ATOM 367 CB ALA A 24 10.105 -1.343 -12.359 1.00 0.00 C ATOM 0 H ALA A 24 7.732 -1.760 -12.924 1.00 0.00 H new ATOM 0 HA ALA A 24 9.022 -1.472 -10.513 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.057 -1.087 -11.895 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.057 -2.420 -12.520 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.019 -0.829 -13.316 1.00 0.00 H new ATOM 373 N VAL A 25 8.820 1.446 -12.065 1.00 0.00 N ATOM 374 CA VAL A 25 8.943 2.888 -11.812 1.00 0.00 C ATOM 375 C VAL A 25 7.907 3.358 -10.779 1.00 0.00 C ATOM 376 O VAL A 25 8.199 4.182 -9.911 1.00 0.00 O ATOM 377 CB VAL A 25 8.867 3.755 -13.125 1.00 0.00 C ATOM 378 CG1 VAL A 25 7.563 3.550 -13.871 1.00 0.00 C ATOM 379 CG2 VAL A 25 9.049 5.230 -12.815 1.00 0.00 C ATOM 0 H VAL A 25 8.513 1.198 -13.006 1.00 0.00 H new ATOM 0 HA VAL A 25 9.940 3.043 -11.400 1.00 0.00 H new ATOM 0 HB VAL A 25 9.681 3.419 -13.767 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.556 4.168 -14.769 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.465 2.501 -14.152 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.728 3.833 -13.230 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.992 5.806 -13.739 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.264 5.558 -12.134 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.022 5.387 -12.349 1.00 0.00 H new ATOM 389 N GLU A 26 6.740 2.756 -10.812 1.00 0.00 N ATOM 390 CA GLU A 26 5.658 3.141 -9.932 1.00 0.00 C ATOM 391 C GLU A 26 5.944 2.682 -8.507 1.00 0.00 C ATOM 392 O GLU A 26 5.710 3.407 -7.542 1.00 0.00 O ATOM 393 CB GLU A 26 4.354 2.566 -10.445 1.00 0.00 C ATOM 394 CG GLU A 26 4.032 2.995 -11.865 1.00 0.00 C ATOM 395 CD GLU A 26 3.939 4.494 -11.997 1.00 0.00 C ATOM 396 OE1 GLU A 26 2.919 5.083 -11.608 1.00 0.00 O ATOM 397 OE2 GLU A 26 4.884 5.112 -12.488 1.00 0.00 O ATOM 0 H GLU A 26 6.514 1.989 -11.446 1.00 0.00 H new ATOM 0 HA GLU A 26 5.572 4.228 -9.918 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.402 1.478 -10.403 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.543 2.875 -9.786 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.801 2.619 -12.540 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.089 2.545 -12.174 1.00 0.00 H new ATOM 404 N LEU A 27 6.510 1.503 -8.395 1.00 0.00 N ATOM 405 CA LEU A 27 6.895 0.935 -7.120 1.00 0.00 C ATOM 406 C LEU A 27 8.113 1.648 -6.550 1.00 0.00 C ATOM 407 O LEU A 27 8.425 1.519 -5.344 1.00 0.00 O ATOM 408 CB LEU A 27 7.175 -0.555 -7.259 1.00 0.00 C ATOM 409 CG LEU A 27 5.970 -1.444 -7.567 1.00 0.00 C ATOM 410 CD1 LEU A 27 6.426 -2.848 -7.922 1.00 0.00 C ATOM 411 CD2 LEU A 27 5.031 -1.483 -6.369 1.00 0.00 C ATOM 0 H LEU A 27 6.719 0.904 -9.193 1.00 0.00 H new ATOM 0 HA LEU A 27 6.064 1.072 -6.428 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.913 -0.692 -8.050 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.631 -0.905 -6.333 1.00 0.00 H new ATOM 0 HG LEU A 27 5.436 -1.027 -8.421 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.557 -3.469 -8.139 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.072 -2.810 -8.799 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.977 -3.275 -7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.176 -2.119 -6.598 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.560 -1.884 -5.505 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.684 -0.474 -6.146 1.00 0.00 H new ATOM 423 N LYS A 28 8.804 2.380 -7.409 1.00 0.00 N ATOM 424 CA LYS A 28 9.950 3.158 -7.019 1.00 0.00 C ATOM 425 C LYS A 28 9.482 4.522 -6.496 1.00 0.00 C ATOM 426 O LYS A 28 10.045 5.055 -5.538 1.00 0.00 O ATOM 427 CB LYS A 28 10.922 3.284 -8.189 1.00 0.00 C ATOM 428 CG LYS A 28 12.252 3.890 -7.825 1.00 0.00 C ATOM 429 CD LYS A 28 13.230 3.777 -8.973 1.00 0.00 C ATOM 430 CE LYS A 28 14.596 4.293 -8.579 1.00 0.00 C ATOM 431 NZ LYS A 28 15.120 3.602 -7.381 1.00 0.00 N ATOM 0 H LYS A 28 8.577 2.446 -8.401 1.00 0.00 H new ATOM 0 HA LYS A 28 10.488 2.659 -6.213 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.091 2.295 -8.615 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.460 3.891 -8.967 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.118 4.938 -7.559 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.657 3.387 -6.947 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.308 2.736 -9.287 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.858 4.341 -9.828 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.289 4.157 -9.409 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.538 5.364 -8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.145 3.762 -7.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.650 3.975 -6.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.934 2.582 -7.459 1.00 0.00 H new ATOM 445 N LYS A 29 8.412 5.051 -7.095 1.00 0.00 N ATOM 446 CA LYS A 29 7.748 6.271 -6.588 1.00 0.00 C ATOM 447 C LYS A 29 7.211 5.955 -5.213 1.00 0.00 C ATOM 448 O LYS A 29 7.379 6.694 -4.246 1.00 0.00 O ATOM 449 CB LYS A 29 6.559 6.627 -7.463 1.00 0.00 C ATOM 450 CG LYS A 29 6.888 6.992 -8.885 1.00 0.00 C ATOM 451 CD LYS A 29 5.620 7.176 -9.689 1.00 0.00 C ATOM 452 CE LYS A 29 5.930 7.708 -11.058 1.00 0.00 C ATOM 453 NZ LYS A 29 4.744 7.741 -11.928 1.00 0.00 N ATOM 0 H LYS A 29 7.981 4.659 -7.932 1.00 0.00 H new ATOM 0 HA LYS A 29 8.460 7.097 -6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.871 5.781 -7.473 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.030 7.463 -7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.475 7.910 -8.905 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.501 6.211 -9.335 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.096 6.224 -9.774 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.951 7.862 -9.170 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.341 8.714 -10.970 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.699 7.089 -11.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.820 8.541 -12.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.683 6.853 -12.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.889 7.852 -11.346 1.00 0.00 H new ATOM 467 N PHE A 30 6.587 4.809 -5.149 1.00 0.00 N ATOM 468 CA PHE A 30 6.069 4.239 -3.937 1.00 0.00 C ATOM 469 C PHE A 30 7.211 3.910 -2.955 1.00 0.00 C ATOM 470 O PHE A 30 6.997 3.666 -1.777 1.00 0.00 O ATOM 471 CB PHE A 30 5.246 2.989 -4.322 1.00 0.00 C ATOM 472 CG PHE A 30 5.011 1.989 -3.236 1.00 0.00 C ATOM 473 CD1 PHE A 30 4.205 2.277 -2.167 1.00 0.00 C ATOM 474 CD2 PHE A 30 5.619 0.756 -3.297 1.00 0.00 C ATOM 475 CE1 PHE A 30 4.011 1.356 -1.169 1.00 0.00 C ATOM 476 CE2 PHE A 30 5.427 -0.175 -2.306 1.00 0.00 C ATOM 477 CZ PHE A 30 4.621 0.128 -1.236 1.00 0.00 C ATOM 0 H PHE A 30 6.420 4.227 -5.970 1.00 0.00 H new ATOM 0 HA PHE A 30 5.423 4.949 -3.419 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.278 3.320 -4.698 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.753 2.486 -5.146 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.717 3.239 -2.109 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.256 0.517 -4.136 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.377 1.598 -0.329 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.907 -1.140 -2.368 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.468 -0.597 -0.450 1.00 0.00 H new ATOM 487 N LYS A 31 8.421 3.921 -3.430 1.00 0.00 N ATOM 488 CA LYS A 31 9.501 3.574 -2.590 1.00 0.00 C ATOM 489 C LYS A 31 10.132 4.782 -1.932 1.00 0.00 C ATOM 490 O LYS A 31 10.282 4.785 -0.726 1.00 0.00 O ATOM 491 CB LYS A 31 10.547 2.740 -3.305 1.00 0.00 C ATOM 492 CG LYS A 31 11.479 2.016 -2.358 1.00 0.00 C ATOM 493 CD LYS A 31 10.727 1.082 -1.371 1.00 0.00 C ATOM 494 CE LYS A 31 10.003 -0.102 -2.048 1.00 0.00 C ATOM 495 NZ LYS A 31 8.785 0.265 -2.836 1.00 0.00 N ATOM 0 H LYS A 31 8.672 4.166 -4.388 1.00 0.00 H new ATOM 0 HA LYS A 31 9.074 2.956 -1.800 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.048 2.010 -3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.133 3.386 -3.959 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.192 1.428 -2.936 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.055 2.748 -1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.439 0.691 -0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.997 1.671 -0.816 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.706 -0.607 -2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.717 -0.820 -1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.163 -0.564 -2.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.276 1.032 -2.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.068 0.583 -3.785 1.00 0.00 H new ATOM 509 N LEU A 32 10.470 5.817 -2.695 1.00 0.00 N ATOM 510 CA LEU A 32 11.166 6.964 -2.092 1.00 0.00 C ATOM 511 C LEU A 32 10.217 7.796 -1.237 1.00 0.00 C ATOM 512 O LEU A 32 10.637 8.643 -0.465 1.00 0.00 O ATOM 513 CB LEU A 32 11.888 7.865 -3.124 1.00 0.00 C ATOM 514 CG LEU A 32 11.089 9.026 -3.735 1.00 0.00 C ATOM 515 CD1 LEU A 32 11.979 9.889 -4.587 1.00 0.00 C ATOM 516 CD2 LEU A 32 9.935 8.518 -4.543 1.00 0.00 C ATOM 0 H LEU A 32 10.285 5.893 -3.695 1.00 0.00 H new ATOM 0 HA LEU A 32 11.941 6.536 -1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.774 8.282 -2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.236 7.230 -3.939 1.00 0.00 H new ATOM 0 HG LEU A 32 10.695 9.628 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.395 10.706 -5.011 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.784 10.297 -3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.404 9.290 -5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 32 9.387 9.361 -4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.306 7.887 -5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.271 7.936 -3.904 1.00 0.00 H new ATOM 528 N TYR A 33 8.930 7.578 -1.385 1.00 0.00 N ATOM 529 CA TYR A 33 8.010 8.281 -0.550 1.00 0.00 C ATOM 530 C TYR A 33 8.135 7.788 0.894 1.00 0.00 C ATOM 531 O TYR A 33 8.063 8.580 1.842 1.00 0.00 O ATOM 532 CB TYR A 33 6.553 8.176 -1.038 1.00 0.00 C ATOM 533 CG TYR A 33 5.578 8.823 -0.066 1.00 0.00 C ATOM 534 CD1 TYR A 33 5.405 10.199 -0.034 1.00 0.00 C ATOM 535 CD2 TYR A 33 4.868 8.055 0.852 1.00 0.00 C ATOM 536 CE1 TYR A 33 4.561 10.786 0.888 1.00 0.00 C ATOM 537 CE2 TYR A 33 4.021 8.635 1.765 1.00 0.00 C ATOM 538 CZ TYR A 33 3.872 9.998 1.782 1.00 0.00 C ATOM 539 OH TYR A 33 3.034 10.582 2.717 1.00 0.00 O ATOM 0 H TYR A 33 8.514 6.936 -2.059 1.00 0.00 H new ATOM 0 HA TYR A 33 8.273 9.338 -0.600 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.462 8.653 -2.014 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.290 7.127 -1.171 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.937 10.819 -0.740 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.985 6.981 0.847 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.442 11.859 0.908 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.475 8.021 2.466 1.00 0.00 H new ATOM 0 HH TYR A 33 2.624 9.884 3.270 1.00 0.00 H new ATOM 549 N LEU A 34 8.376 6.507 1.045 1.00 0.00 N ATOM 550 CA LEU A 34 8.409 5.905 2.348 1.00 0.00 C ATOM 551 C LEU A 34 9.804 5.429 2.775 1.00 0.00 C ATOM 552 O LEU A 34 10.292 5.803 3.831 1.00 0.00 O ATOM 553 CB LEU A 34 7.302 4.801 2.462 1.00 0.00 C ATOM 554 CG LEU A 34 7.255 3.651 1.414 1.00 0.00 C ATOM 555 CD1 LEU A 34 8.273 2.552 1.688 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.859 3.064 1.339 1.00 0.00 C ATOM 0 H LEU A 34 8.552 5.862 0.274 1.00 0.00 H new ATOM 0 HA LEU A 34 8.174 6.682 3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.398 4.342 3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.335 5.304 2.438 1.00 0.00 H new ATOM 0 HG LEU A 34 7.520 4.093 0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.190 1.780 0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.278 2.974 1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.081 2.114 2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.841 2.261 0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.578 2.668 2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.153 3.841 1.046 1.00 0.00 H new ATOM 568 N GLY A 35 10.477 4.714 1.913 1.00 0.00 N ATOM 569 CA GLY A 35 11.694 4.031 2.286 1.00 0.00 C ATOM 570 C GLY A 35 12.874 4.941 2.530 1.00 0.00 C ATOM 571 O GLY A 35 13.804 4.571 3.250 1.00 0.00 O ATOM 0 H GLY A 35 10.203 4.587 0.939 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.507 3.450 3.189 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.954 3.323 1.499 1.00 0.00 H new ATOM 575 N THR A 36 12.855 6.101 1.930 1.00 0.00 N ATOM 576 CA THR A 36 13.927 7.055 2.106 1.00 0.00 C ATOM 577 C THR A 36 13.475 8.183 3.056 1.00 0.00 C ATOM 578 O THR A 36 14.259 9.066 3.416 1.00 0.00 O ATOM 579 CB THR A 36 14.334 7.658 0.732 1.00 0.00 C ATOM 580 OG1 THR A 36 13.227 8.347 0.182 1.00 0.00 O ATOM 581 CG2 THR A 36 14.726 6.568 -0.255 1.00 0.00 C ATOM 0 H THR A 36 12.107 6.413 1.311 1.00 0.00 H new ATOM 0 HA THR A 36 14.787 6.544 2.539 1.00 0.00 H new ATOM 0 HB THR A 36 15.182 8.323 0.897 1.00 0.00 H new ATOM 0 HG1 THR A 36 13.518 8.862 -0.600 1.00 0.00 H new ATOM 0 HG21 THR A 36 15.005 7.022 -1.206 1.00 0.00 H new ATOM 0 HG22 THR A 36 15.572 6.006 0.141 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.882 5.895 -0.408 1.00 0.00 H new ATOM 589 N ALA A 37 12.214 8.123 3.484 1.00 0.00 N ATOM 590 CA ALA A 37 11.624 9.177 4.295 1.00 0.00 C ATOM 591 C ALA A 37 12.074 9.096 5.744 1.00 0.00 C ATOM 592 O ALA A 37 12.226 8.001 6.313 1.00 0.00 O ATOM 593 CB ALA A 37 10.103 9.140 4.209 1.00 0.00 C ATOM 0 H ALA A 37 11.582 7.349 3.279 1.00 0.00 H new ATOM 0 HA ALA A 37 11.975 10.127 3.892 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.684 9.937 4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.794 9.280 3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.742 8.177 4.569 1.00 0.00 H new ATOM 599 N THR A 38 12.261 10.254 6.351 1.00 0.00 N ATOM 600 CA THR A 38 12.694 10.361 7.726 1.00 0.00 C ATOM 601 C THR A 38 11.603 9.908 8.681 1.00 0.00 C ATOM 602 O THR A 38 11.877 9.367 9.744 1.00 0.00 O ATOM 603 CB THR A 38 13.089 11.812 8.021 1.00 0.00 C ATOM 604 OG1 THR A 38 12.062 12.674 7.499 1.00 0.00 O ATOM 605 CG2 THR A 38 14.424 12.150 7.370 1.00 0.00 C ATOM 0 H THR A 38 12.114 11.155 5.895 1.00 0.00 H new ATOM 0 HA THR A 38 13.555 9.710 7.873 1.00 0.00 H new ATOM 0 HB THR A 38 13.193 11.950 9.097 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.296 13.608 7.680 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.685 13.185 7.592 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.197 11.488 7.761 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.346 12.019 6.291 1.00 0.00 H new ATOM 613 N GLU A 39 10.382 10.037 8.210 1.00 0.00 N ATOM 614 CA GLU A 39 9.147 9.768 8.954 1.00 0.00 C ATOM 615 C GLU A 39 9.037 8.314 9.421 1.00 0.00 C ATOM 616 O GLU A 39 8.241 7.995 10.308 1.00 0.00 O ATOM 617 CB GLU A 39 7.970 10.103 8.055 1.00 0.00 C ATOM 618 CG GLU A 39 8.042 11.504 7.489 1.00 0.00 C ATOM 619 CD GLU A 39 6.926 11.808 6.541 1.00 0.00 C ATOM 620 OE1 GLU A 39 5.845 12.238 6.991 1.00 0.00 O ATOM 621 OE2 GLU A 39 7.114 11.638 5.317 1.00 0.00 O ATOM 0 H GLU A 39 10.203 10.346 7.255 1.00 0.00 H new ATOM 0 HA GLU A 39 9.153 10.385 9.852 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.931 9.387 7.234 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.044 9.992 8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.022 12.223 8.308 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.994 11.634 6.975 1.00 0.00 H new ATOM 628 N LEU A 40 9.817 7.448 8.825 1.00 0.00 N ATOM 629 CA LEU A 40 9.791 6.035 9.172 1.00 0.00 C ATOM 630 C LEU A 40 11.010 5.638 9.971 1.00 0.00 C ATOM 631 O LEU A 40 11.287 4.460 10.179 1.00 0.00 O ATOM 632 CB LEU A 40 9.747 5.205 7.934 1.00 0.00 C ATOM 633 CG LEU A 40 8.555 5.407 7.006 1.00 0.00 C ATOM 634 CD1 LEU A 40 8.575 4.388 5.913 1.00 0.00 C ATOM 635 CD2 LEU A 40 7.231 5.366 7.745 1.00 0.00 C ATOM 0 H LEU A 40 10.484 7.691 8.092 1.00 0.00 H new ATOM 0 HA LEU A 40 8.900 5.865 9.777 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.656 5.398 7.364 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.773 4.156 8.229 1.00 0.00 H new ATOM 0 HG LEU A 40 8.647 6.404 6.574 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.719 4.542 5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.496 4.489 5.338 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.525 3.389 6.346 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.415 5.515 7.038 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.116 4.398 8.233 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.209 6.156 8.496 1.00 0.00 H new ATOM 647 N GLY A 41 11.725 6.610 10.378 1.00 0.00 N ATOM 648 CA GLY A 41 12.925 6.400 11.151 1.00 0.00 C ATOM 649 C GLY A 41 14.147 6.432 10.273 1.00 0.00 C ATOM 650 O GLY A 41 15.050 5.612 10.429 1.00 0.00 O ATOM 0 H GLY A 41 11.510 7.590 10.194 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.005 7.169 11.920 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.867 5.440 11.665 1.00 0.00 H new ATOM 654 N GLU A 42 14.139 7.376 9.317 1.00 0.00 N ATOM 655 CA GLU A 42 15.234 7.616 8.342 1.00 0.00 C ATOM 656 C GLU A 42 15.375 6.526 7.280 1.00 0.00 C ATOM 657 O GLU A 42 16.224 6.619 6.381 1.00 0.00 O ATOM 658 CB GLU A 42 16.551 7.886 9.045 1.00 0.00 C ATOM 659 CG GLU A 42 16.530 9.160 9.860 1.00 0.00 C ATOM 660 CD GLU A 42 17.817 9.402 10.577 1.00 0.00 C ATOM 661 OE1 GLU A 42 18.711 10.061 10.005 1.00 0.00 O ATOM 662 OE2 GLU A 42 17.956 8.951 11.730 1.00 0.00 O ATOM 0 H GLU A 42 13.353 8.014 9.192 1.00 0.00 H new ATOM 0 HA GLU A 42 14.946 8.514 7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 42 16.788 7.046 9.698 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.348 7.948 8.303 1.00 0.00 H new ATOM 0 HG2 GLU A 42 16.320 10.004 9.203 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.718 9.110 10.585 1.00 0.00 H new ATOM 669 N GLY A 43 14.541 5.535 7.354 1.00 0.00 N ATOM 670 CA GLY A 43 14.598 4.477 6.405 1.00 0.00 C ATOM 671 C GLY A 43 14.395 3.155 7.062 1.00 0.00 C ATOM 672 O GLY A 43 15.291 2.638 7.726 1.00 0.00 O ATOM 0 H GLY A 43 13.814 5.440 8.063 1.00 0.00 H new ATOM 0 HA2 GLY A 43 13.835 4.628 5.641 1.00 0.00 H new ATOM 0 HA3 GLY A 43 15.563 4.490 5.898 1.00 0.00 H new ATOM 676 N LYS A 44 13.212 2.614 6.907 1.00 0.00 N ATOM 677 CA LYS A 44 12.860 1.349 7.472 1.00 0.00 C ATOM 678 C LYS A 44 13.356 0.222 6.538 1.00 0.00 C ATOM 679 O LYS A 44 13.457 -0.938 6.920 1.00 0.00 O ATOM 680 CB LYS A 44 11.339 1.333 7.605 1.00 0.00 C ATOM 681 CG LYS A 44 10.757 0.116 8.268 1.00 0.00 C ATOM 682 CD LYS A 44 11.145 -0.012 9.749 1.00 0.00 C ATOM 683 CE LYS A 44 10.615 1.148 10.593 1.00 0.00 C ATOM 684 NZ LYS A 44 10.996 1.022 12.013 1.00 0.00 N ATOM 0 H LYS A 44 12.460 3.052 6.375 1.00 0.00 H new ATOM 0 HA LYS A 44 13.319 1.194 8.448 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.032 2.214 8.169 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.904 1.425 6.610 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.671 0.150 8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.089 -0.774 7.734 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.758 -0.951 10.143 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.231 -0.054 9.835 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.999 2.088 10.197 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.529 1.188 10.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.616 1.829 12.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.608 0.138 12.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.033 1.010 12.095 1.00 0.00 H new ATOM 698 N ILE A 45 13.703 0.617 5.341 1.00 0.00 N ATOM 699 CA ILE A 45 14.162 -0.275 4.297 1.00 0.00 C ATOM 700 C ILE A 45 15.678 -0.524 4.420 1.00 0.00 C ATOM 701 O ILE A 45 16.416 0.375 4.819 1.00 0.00 O ATOM 702 CB ILE A 45 13.831 0.365 2.916 1.00 0.00 C ATOM 703 CG1 ILE A 45 12.307 0.440 2.698 1.00 0.00 C ATOM 704 CG2 ILE A 45 14.516 -0.348 1.766 1.00 0.00 C ATOM 705 CD1 ILE A 45 11.618 -0.912 2.644 1.00 0.00 C ATOM 0 H ILE A 45 13.675 1.595 5.053 1.00 0.00 H new ATOM 0 HA ILE A 45 13.657 -1.236 4.392 1.00 0.00 H new ATOM 0 HB ILE A 45 14.227 1.380 2.932 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.865 1.028 3.502 1.00 0.00 H new ATOM 0 HG13 ILE A 45 12.110 0.973 1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.251 0.138 0.827 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.596 -0.307 1.904 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.193 -1.389 1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.549 -0.769 2.488 1.00 0.00 H new ATOM 0 HD12 ILE A 45 12.030 -1.498 1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.780 -1.441 3.583 1.00 0.00 H new ATOM 717 N PRO A 46 16.141 -1.764 4.126 1.00 0.00 N ATOM 718 CA PRO A 46 17.570 -2.116 4.135 1.00 0.00 C ATOM 719 C PRO A 46 18.360 -1.530 2.921 1.00 0.00 C ATOM 720 O PRO A 46 17.873 -0.646 2.214 1.00 0.00 O ATOM 721 CB PRO A 46 17.544 -3.648 4.066 1.00 0.00 C ATOM 722 CG PRO A 46 16.286 -3.964 3.355 1.00 0.00 C ATOM 723 CD PRO A 46 15.298 -2.939 3.812 1.00 0.00 C ATOM 0 HA PRO A 46 18.079 -1.710 5.009 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.411 -4.036 3.531 1.00 0.00 H new ATOM 0 HB3 PRO A 46 17.559 -4.091 5.062 1.00 0.00 H new ATOM 0 HG2 PRO A 46 16.425 -3.921 2.275 1.00 0.00 H new ATOM 0 HG3 PRO A 46 15.944 -4.971 3.592 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.566 -2.713 3.036 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.742 -3.279 4.685 1.00 0.00 H new ATOM 731 N TRP A 47 19.565 -2.083 2.697 1.00 0.00 N ATOM 732 CA TRP A 47 20.542 -1.623 1.682 1.00 0.00 C ATOM 733 C TRP A 47 19.957 -1.338 0.279 1.00 0.00 C ATOM 734 O TRP A 47 20.161 -0.252 -0.265 1.00 0.00 O ATOM 735 CB TRP A 47 21.768 -2.590 1.599 1.00 0.00 C ATOM 736 CG TRP A 47 21.453 -4.023 1.190 1.00 0.00 C ATOM 737 CD1 TRP A 47 21.491 -4.543 -0.079 1.00 0.00 C ATOM 738 CD2 TRP A 47 21.075 -5.111 2.049 1.00 0.00 C ATOM 739 NE1 TRP A 47 21.132 -5.865 -0.059 1.00 0.00 N ATOM 740 CE2 TRP A 47 20.882 -6.242 1.233 1.00 0.00 C ATOM 741 CE3 TRP A 47 20.874 -5.238 3.425 1.00 0.00 C ATOM 742 CZ2 TRP A 47 20.501 -7.479 1.750 1.00 0.00 C ATOM 743 CZ3 TRP A 47 20.499 -6.466 3.935 1.00 0.00 C ATOM 744 CH2 TRP A 47 20.317 -7.569 3.099 1.00 0.00 C ATOM 0 H TRP A 47 19.900 -2.886 3.230 1.00 0.00 H new ATOM 0 HA TRP A 47 20.874 -0.649 2.042 1.00 0.00 H new ATOM 0 HB2 TRP A 47 22.485 -2.178 0.888 1.00 0.00 H new ATOM 0 HB3 TRP A 47 22.259 -2.609 2.572 1.00 0.00 H new ATOM 0 HD1 TRP A 47 21.764 -3.990 -0.966 1.00 0.00 H new ATOM 0 HE1 TRP A 47 21.062 -6.471 -0.876 1.00 0.00 H new ATOM 0 HE3 TRP A 47 21.009 -4.390 4.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 20.357 -8.334 1.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 20.344 -6.574 4.998 1.00 0.00 H new ATOM 0 HH2 TRP A 47 20.024 -8.515 3.530 1.00 0.00 H new ATOM 755 N GLY A 48 19.280 -2.304 -0.307 1.00 0.00 N ATOM 756 CA GLY A 48 18.721 -2.116 -1.636 1.00 0.00 C ATOM 757 C GLY A 48 17.892 -3.301 -2.054 1.00 0.00 C ATOM 758 O GLY A 48 17.731 -3.589 -3.235 1.00 0.00 O ATOM 0 H GLY A 48 19.103 -3.219 0.108 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.106 -1.216 -1.650 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.527 -1.962 -2.353 1.00 0.00 H new ATOM 762 N SER A 49 17.322 -3.957 -1.076 1.00 0.00 N ATOM 763 CA SER A 49 16.540 -5.161 -1.282 1.00 0.00 C ATOM 764 C SER A 49 15.176 -4.846 -1.913 1.00 0.00 C ATOM 765 O SER A 49 14.508 -5.715 -2.467 1.00 0.00 O ATOM 766 CB SER A 49 16.327 -5.786 0.073 1.00 0.00 C ATOM 767 OG SER A 49 17.574 -5.954 0.742 1.00 0.00 O ATOM 0 H SER A 49 17.386 -3.671 -0.099 1.00 0.00 H new ATOM 0 HA SER A 49 17.069 -5.830 -1.961 1.00 0.00 H new ATOM 0 HB2 SER A 49 15.667 -5.157 0.671 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.833 -6.751 -0.038 1.00 0.00 H new ATOM 0 HG SER A 49 17.422 -6.359 1.621 1.00 0.00 H new ATOM 773 N MET A 50 14.813 -3.594 -1.882 1.00 0.00 N ATOM 774 CA MET A 50 13.498 -3.155 -2.290 1.00 0.00 C ATOM 775 C MET A 50 13.550 -2.661 -3.716 1.00 0.00 C ATOM 776 O MET A 50 12.544 -2.296 -4.304 1.00 0.00 O ATOM 777 CB MET A 50 13.039 -2.024 -1.363 1.00 0.00 C ATOM 778 CG MET A 50 13.755 -0.680 -1.557 1.00 0.00 C ATOM 779 SD MET A 50 15.557 -0.772 -1.436 1.00 0.00 S ATOM 780 CE MET A 50 16.007 0.940 -1.739 1.00 0.00 C ATOM 0 H MET A 50 15.424 -2.839 -1.571 1.00 0.00 H new ATOM 0 HA MET A 50 12.795 -3.985 -2.228 1.00 0.00 H new ATOM 0 HB2 MET A 50 11.970 -1.870 -1.508 1.00 0.00 H new ATOM 0 HB3 MET A 50 13.178 -2.345 -0.331 1.00 0.00 H new ATOM 0 HG2 MET A 50 13.488 -0.277 -2.534 1.00 0.00 H new ATOM 0 HG3 MET A 50 13.388 0.025 -0.811 1.00 0.00 H new ATOM 0 HE1 MET A 50 17.091 1.044 -1.697 1.00 0.00 H new ATOM 0 HE2 MET A 50 15.652 1.241 -2.725 1.00 0.00 H new ATOM 0 HE3 MET A 50 15.552 1.576 -0.980 1.00 0.00 H new ATOM 790 N GLU A 51 14.733 -2.667 -4.244 1.00 0.00 N ATOM 791 CA GLU A 51 15.014 -2.170 -5.559 1.00 0.00 C ATOM 792 C GLU A 51 14.966 -3.341 -6.546 1.00 0.00 C ATOM 793 O GLU A 51 14.890 -3.168 -7.764 1.00 0.00 O ATOM 794 CB GLU A 51 16.403 -1.584 -5.480 1.00 0.00 C ATOM 795 CG GLU A 51 16.826 -0.691 -6.621 1.00 0.00 C ATOM 796 CD GLU A 51 16.029 0.596 -6.709 1.00 0.00 C ATOM 797 OE1 GLU A 51 16.113 1.426 -5.788 1.00 0.00 O ATOM 798 OE2 GLU A 51 15.349 0.837 -7.741 1.00 0.00 O ATOM 0 H GLU A 51 15.555 -3.028 -3.760 1.00 0.00 H new ATOM 0 HA GLU A 51 14.297 -1.422 -5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 51 16.480 -1.013 -4.554 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.116 -2.406 -5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.883 -0.448 -6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.722 -1.238 -7.558 1.00 0.00 H new ATOM 805 N LYS A 52 14.991 -4.531 -5.989 1.00 0.00 N ATOM 806 CA LYS A 52 14.971 -5.777 -6.742 1.00 0.00 C ATOM 807 C LYS A 52 13.703 -6.519 -6.392 1.00 0.00 C ATOM 808 O LYS A 52 13.577 -7.726 -6.598 1.00 0.00 O ATOM 809 CB LYS A 52 16.195 -6.612 -6.349 1.00 0.00 C ATOM 810 CG LYS A 52 17.519 -5.942 -6.688 1.00 0.00 C ATOM 811 CD LYS A 52 17.774 -5.922 -8.188 1.00 0.00 C ATOM 812 CE LYS A 52 18.209 -7.284 -8.704 1.00 0.00 C ATOM 813 NZ LYS A 52 19.488 -7.709 -8.097 1.00 0.00 N ATOM 0 H LYS A 52 15.027 -4.669 -4.979 1.00 0.00 H new ATOM 0 HA LYS A 52 15.000 -5.585 -7.815 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.161 -6.811 -5.278 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.145 -7.577 -6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.518 -4.921 -6.306 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.332 -6.469 -6.188 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.868 -5.609 -8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.543 -5.184 -8.416 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.437 -8.021 -8.483 1.00 0.00 H new ATOM 0 HE3 LYS A 52 18.314 -7.247 -9.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 19.951 -8.406 -8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 20.109 -6.883 -7.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 19.306 -8.137 -7.167 1.00 0.00 H new ATOM 827 N ALA A 53 12.763 -5.773 -5.906 1.00 0.00 N ATOM 828 CA ALA A 53 11.533 -6.306 -5.428 1.00 0.00 C ATOM 829 C ALA A 53 10.421 -6.034 -6.433 1.00 0.00 C ATOM 830 O ALA A 53 10.346 -4.942 -6.999 1.00 0.00 O ATOM 831 CB ALA A 53 11.228 -5.660 -4.085 1.00 0.00 C ATOM 0 H ALA A 53 12.833 -4.758 -5.830 1.00 0.00 H new ATOM 0 HA ALA A 53 11.606 -7.386 -5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.288 -6.053 -3.697 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.032 -5.883 -3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.145 -4.580 -4.211 1.00 0.00 H new ATOM 837 N GLY A 54 9.586 -7.026 -6.666 1.00 0.00 N ATOM 838 CA GLY A 54 8.465 -6.889 -7.529 1.00 0.00 C ATOM 839 C GLY A 54 7.242 -6.687 -6.690 1.00 0.00 C ATOM 840 O GLY A 54 7.369 -6.616 -5.485 1.00 0.00 O ATOM 0 H GLY A 54 9.681 -7.953 -6.250 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.606 -6.044 -8.202 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.355 -7.777 -8.151 1.00 0.00 H new ATOM 844 N PRO A 55 6.052 -6.660 -7.283 1.00 0.00 N ATOM 845 CA PRO A 55 4.778 -6.413 -6.565 1.00 0.00 C ATOM 846 C PRO A 55 4.614 -7.301 -5.327 1.00 0.00 C ATOM 847 O PRO A 55 4.283 -6.825 -4.238 1.00 0.00 O ATOM 848 CB PRO A 55 3.726 -6.782 -7.597 1.00 0.00 C ATOM 849 CG PRO A 55 4.383 -6.565 -8.913 1.00 0.00 C ATOM 850 CD PRO A 55 5.840 -6.885 -8.711 1.00 0.00 C ATOM 0 HA PRO A 55 4.716 -5.389 -6.197 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.407 -7.818 -7.482 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.836 -6.161 -7.493 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.945 -7.207 -9.677 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.253 -5.536 -9.248 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.066 -7.914 -8.992 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.478 -6.242 -9.316 1.00 0.00 H new ATOM 858 N LEU A 56 4.909 -8.574 -5.499 1.00 0.00 N ATOM 859 CA LEU A 56 4.795 -9.555 -4.431 1.00 0.00 C ATOM 860 C LEU A 56 5.858 -9.308 -3.365 1.00 0.00 C ATOM 861 O LEU A 56 5.560 -9.261 -2.180 1.00 0.00 O ATOM 862 CB LEU A 56 4.934 -10.962 -5.005 1.00 0.00 C ATOM 863 CG LEU A 56 4.812 -12.114 -4.019 1.00 0.00 C ATOM 864 CD1 LEU A 56 3.411 -12.183 -3.434 1.00 0.00 C ATOM 865 CD2 LEU A 56 5.188 -13.409 -4.699 1.00 0.00 C ATOM 0 H LEU A 56 5.236 -8.961 -6.384 1.00 0.00 H new ATOM 0 HA LEU A 56 3.814 -9.458 -3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.175 -11.092 -5.777 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.904 -11.035 -5.497 1.00 0.00 H new ATOM 0 HG LEU A 56 5.500 -11.945 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.350 -13.015 -2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.188 -11.252 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.689 -12.332 -4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.099 -14.232 -3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.521 -13.584 -5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.216 -13.347 -5.056 1.00 0.00 H new ATOM 877 N GLU A 57 7.089 -9.104 -3.798 1.00 0.00 N ATOM 878 CA GLU A 57 8.188 -8.836 -2.887 1.00 0.00 C ATOM 879 C GLU A 57 8.034 -7.520 -2.179 1.00 0.00 C ATOM 880 O GLU A 57 8.581 -7.342 -1.117 1.00 0.00 O ATOM 881 CB GLU A 57 9.542 -8.929 -3.572 1.00 0.00 C ATOM 882 CG GLU A 57 10.098 -10.326 -3.604 1.00 0.00 C ATOM 883 CD GLU A 57 10.356 -10.830 -2.206 1.00 0.00 C ATOM 884 OE1 GLU A 57 11.453 -10.561 -1.648 1.00 0.00 O ATOM 885 OE2 GLU A 57 9.478 -11.487 -1.624 1.00 0.00 O ATOM 0 H GLU A 57 7.354 -9.119 -4.783 1.00 0.00 H new ATOM 0 HA GLU A 57 8.149 -9.621 -2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.451 -8.558 -4.593 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.247 -8.276 -3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.398 -10.990 -4.112 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.025 -10.341 -4.178 1.00 0.00 H new ATOM 892 N MET A 58 7.309 -6.609 -2.789 1.00 0.00 N ATOM 893 CA MET A 58 6.970 -5.342 -2.178 1.00 0.00 C ATOM 894 C MET A 58 6.003 -5.591 -1.065 1.00 0.00 C ATOM 895 O MET A 58 6.231 -5.182 0.048 1.00 0.00 O ATOM 896 CB MET A 58 6.372 -4.386 -3.210 1.00 0.00 C ATOM 897 CG MET A 58 7.376 -3.928 -4.247 1.00 0.00 C ATOM 898 SD MET A 58 8.441 -2.589 -3.706 1.00 0.00 S ATOM 899 CE MET A 58 9.493 -2.444 -5.156 1.00 0.00 C ATOM 0 H MET A 58 6.935 -6.727 -3.731 1.00 0.00 H new ATOM 0 HA MET A 58 7.871 -4.874 -1.782 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.539 -4.878 -3.712 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.966 -3.515 -2.697 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.997 -4.777 -4.534 1.00 0.00 H new ATOM 0 HG3 MET A 58 6.838 -3.610 -5.140 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.814 -1.409 -5.271 1.00 0.00 H new ATOM 0 HE2 MET A 58 10.367 -3.084 -5.037 1.00 0.00 H new ATOM 0 HE3 MET A 58 8.937 -2.751 -6.041 1.00 0.00 H new ATOM 909 N ALA A 59 4.953 -6.324 -1.351 1.00 0.00 N ATOM 910 CA ALA A 59 3.964 -6.655 -0.343 1.00 0.00 C ATOM 911 C ALA A 59 4.621 -7.383 0.826 1.00 0.00 C ATOM 912 O ALA A 59 4.439 -7.024 1.989 1.00 0.00 O ATOM 913 CB ALA A 59 2.877 -7.505 -0.945 1.00 0.00 C ATOM 0 H ALA A 59 4.758 -6.706 -2.277 1.00 0.00 H new ATOM 0 HA ALA A 59 3.521 -5.732 0.030 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.140 -7.748 -0.180 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.394 -6.958 -1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.310 -8.425 -1.337 1.00 0.00 H new ATOM 919 N GLN A 60 5.459 -8.331 0.493 1.00 0.00 N ATOM 920 CA GLN A 60 6.170 -9.129 1.475 1.00 0.00 C ATOM 921 C GLN A 60 7.330 -8.341 2.120 1.00 0.00 C ATOM 922 O GLN A 60 7.943 -8.790 3.088 1.00 0.00 O ATOM 923 CB GLN A 60 6.644 -10.433 0.829 1.00 0.00 C ATOM 924 CG GLN A 60 5.476 -11.244 0.278 1.00 0.00 C ATOM 925 CD GLN A 60 5.861 -12.542 -0.432 1.00 0.00 C ATOM 926 OE1 GLN A 60 5.105 -13.514 -0.414 1.00 0.00 O ATOM 927 NE2 GLN A 60 6.993 -12.572 -1.095 1.00 0.00 N ATOM 0 H GLN A 60 5.673 -8.578 -0.473 1.00 0.00 H new ATOM 0 HA GLN A 60 5.488 -9.378 2.288 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.343 -10.208 0.024 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.186 -11.028 1.564 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.802 -11.485 1.100 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.918 -10.619 -0.419 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.605 -11.756 -1.097 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.261 -13.412 -1.609 1.00 0.00 H new ATOM 936 N LEU A 61 7.591 -7.166 1.598 1.00 0.00 N ATOM 937 CA LEU A 61 8.624 -6.276 2.104 1.00 0.00 C ATOM 938 C LEU A 61 8.019 -5.450 3.213 1.00 0.00 C ATOM 939 O LEU A 61 8.395 -5.579 4.381 1.00 0.00 O ATOM 940 CB LEU A 61 9.065 -5.323 0.998 1.00 0.00 C ATOM 941 CG LEU A 61 10.263 -4.438 1.241 1.00 0.00 C ATOM 942 CD1 LEU A 61 11.548 -5.244 1.179 1.00 0.00 C ATOM 943 CD2 LEU A 61 10.269 -3.323 0.223 1.00 0.00 C ATOM 0 H LEU A 61 7.086 -6.790 0.796 1.00 0.00 H new ATOM 0 HA LEU A 61 9.477 -6.857 2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.269 -5.920 0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.219 -4.677 0.761 1.00 0.00 H new ATOM 0 HG LEU A 61 10.199 -4.006 2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.399 -4.586 1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.526 -6.023 1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.643 -5.702 0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.132 -2.680 0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.324 -3.746 -0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.355 -2.737 0.320 1.00 0.00 H new ATOM 955 N LEU A 62 7.010 -4.643 2.849 1.00 0.00 N ATOM 956 CA LEU A 62 6.372 -3.746 3.785 1.00 0.00 C ATOM 957 C LEU A 62 5.727 -4.526 4.931 1.00 0.00 C ATOM 958 O LEU A 62 5.730 -4.072 6.068 1.00 0.00 O ATOM 959 CB LEU A 62 5.315 -2.804 3.120 1.00 0.00 C ATOM 960 CG LEU A 62 5.766 -1.776 2.037 1.00 0.00 C ATOM 961 CD1 LEU A 62 6.962 -0.970 2.448 1.00 0.00 C ATOM 962 CD2 LEU A 62 5.983 -2.404 0.704 1.00 0.00 C ATOM 0 H LEU A 62 6.627 -4.604 1.904 1.00 0.00 H new ATOM 0 HA LEU A 62 7.164 -3.107 4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.552 -3.438 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.831 -2.243 3.919 1.00 0.00 H new ATOM 0 HG LEU A 62 4.931 -1.082 1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.224 -0.275 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.730 -0.411 3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.803 -1.637 2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.295 -1.642 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.757 -3.167 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.055 -2.863 0.363 1.00 0.00 H new ATOM 974 N ILE A 63 5.203 -5.720 4.633 1.00 0.00 N ATOM 975 CA ILE A 63 4.542 -6.546 5.643 1.00 0.00 C ATOM 976 C ILE A 63 5.570 -7.019 6.708 1.00 0.00 C ATOM 977 O ILE A 63 5.243 -7.175 7.883 1.00 0.00 O ATOM 978 CB ILE A 63 3.798 -7.761 4.958 1.00 0.00 C ATOM 979 CG1 ILE A 63 2.493 -8.135 5.687 1.00 0.00 C ATOM 980 CG2 ILE A 63 4.698 -8.992 4.802 1.00 0.00 C ATOM 981 CD1 ILE A 63 2.650 -8.737 7.068 1.00 0.00 C ATOM 0 H ILE A 63 5.225 -6.134 3.701 1.00 0.00 H new ATOM 0 HA ILE A 63 3.788 -5.950 6.157 1.00 0.00 H new ATOM 0 HB ILE A 63 3.536 -7.416 3.958 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.878 -7.239 5.771 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.943 -8.842 5.065 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.136 -9.796 4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.560 -8.737 4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.039 -9.320 5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.666 -8.959 7.482 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.231 -9.657 7.000 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.165 -8.029 7.717 1.00 0.00 H new ATOM 993 N THR A 64 6.808 -7.165 6.294 1.00 0.00 N ATOM 994 CA THR A 64 7.846 -7.641 7.169 1.00 0.00 C ATOM 995 C THR A 64 8.501 -6.482 7.930 1.00 0.00 C ATOM 996 O THR A 64 8.838 -6.611 9.112 1.00 0.00 O ATOM 997 CB THR A 64 8.899 -8.425 6.365 1.00 0.00 C ATOM 998 OG1 THR A 64 8.237 -9.489 5.656 1.00 0.00 O ATOM 999 CG2 THR A 64 9.958 -9.022 7.279 1.00 0.00 C ATOM 0 H THR A 64 7.119 -6.957 5.345 1.00 0.00 H new ATOM 0 HA THR A 64 7.395 -8.309 7.903 1.00 0.00 H new ATOM 0 HB THR A 64 9.390 -7.742 5.672 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.268 -9.309 4.693 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.687 -9.569 6.682 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.461 -8.223 7.823 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.485 -9.702 7.988 1.00 0.00 H new ATOM 1007 N HIS A 65 8.667 -5.359 7.259 1.00 0.00 N ATOM 1008 CA HIS A 65 9.284 -4.200 7.873 1.00 0.00 C ATOM 1009 C HIS A 65 8.332 -3.460 8.793 1.00 0.00 C ATOM 1010 O HIS A 65 8.672 -3.134 9.925 1.00 0.00 O ATOM 1011 CB HIS A 65 9.897 -3.267 6.831 1.00 0.00 C ATOM 1012 CG HIS A 65 11.118 -3.848 6.191 1.00 0.00 C ATOM 1013 ND1 HIS A 65 12.341 -3.935 6.818 1.00 0.00 N ATOM 1014 CD2 HIS A 65 11.278 -4.426 4.982 1.00 0.00 C ATOM 1015 CE1 HIS A 65 13.182 -4.550 5.996 1.00 0.00 C ATOM 1016 NE2 HIS A 65 12.588 -4.871 4.860 1.00 0.00 N ATOM 0 H HIS A 65 8.383 -5.225 6.289 1.00 0.00 H new ATOM 0 HA HIS A 65 10.097 -4.573 8.496 1.00 0.00 H new ATOM 0 HB2 HIS A 65 9.156 -3.049 6.062 1.00 0.00 H new ATOM 0 HB3 HIS A 65 10.154 -2.319 7.303 1.00 0.00 H new ATOM 0 HD2 HIS A 65 10.510 -4.526 4.229 1.00 0.00 H new ATOM 0 HE1 HIS A 65 14.216 -4.761 6.225 1.00 0.00 H new ATOM 0 HE2 HIS A 65 13.005 -5.347 4.060 1.00 0.00 H new ATOM 1024 N PHE A 66 7.152 -3.199 8.304 1.00 0.00 N ATOM 1025 CA PHE A 66 6.134 -2.495 9.056 1.00 0.00 C ATOM 1026 C PHE A 66 5.257 -3.450 9.826 1.00 0.00 C ATOM 1027 O PHE A 66 5.448 -3.651 11.028 1.00 0.00 O ATOM 1028 CB PHE A 66 5.299 -1.634 8.109 1.00 0.00 C ATOM 1029 CG PHE A 66 6.145 -0.685 7.360 1.00 0.00 C ATOM 1030 CD1 PHE A 66 6.821 -1.109 6.240 1.00 0.00 C ATOM 1031 CD2 PHE A 66 6.317 0.599 7.795 1.00 0.00 C ATOM 1032 CE1 PHE A 66 7.643 -0.285 5.564 1.00 0.00 C ATOM 1033 CE2 PHE A 66 7.155 1.439 7.119 1.00 0.00 C ATOM 1034 CZ PHE A 66 7.818 0.984 5.995 1.00 0.00 C ATOM 0 H PHE A 66 6.861 -3.469 7.364 1.00 0.00 H new ATOM 0 HA PHE A 66 6.627 -1.851 9.784 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.761 -2.275 7.410 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.550 -1.085 8.679 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.690 -2.124 5.896 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.791 0.949 8.671 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.159 -0.636 4.683 1.00 0.00 H new ATOM 0 HE2 PHE A 66 7.299 2.453 7.461 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.480 1.647 5.458 1.00 0.00 H new ATOM 1044 N GLY A 67 4.354 -4.069 9.140 1.00 0.00 N ATOM 1045 CA GLY A 67 3.422 -4.951 9.754 1.00 0.00 C ATOM 1046 C GLY A 67 2.317 -5.223 8.801 1.00 0.00 C ATOM 1047 O GLY A 67 2.293 -4.613 7.748 1.00 0.00 O ATOM 0 H GLY A 67 4.243 -3.975 8.130 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.914 -5.882 10.036 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.030 -4.507 10.669 1.00 0.00 H new ATOM 1051 N PRO A 68 1.382 -6.100 9.136 1.00 0.00 N ATOM 1052 CA PRO A 68 0.286 -6.486 8.235 1.00 0.00 C ATOM 1053 C PRO A 68 -0.590 -5.313 7.791 1.00 0.00 C ATOM 1054 O PRO A 68 -0.747 -5.055 6.594 1.00 0.00 O ATOM 1055 CB PRO A 68 -0.530 -7.492 9.060 1.00 0.00 C ATOM 1056 CG PRO A 68 -0.102 -7.282 10.474 1.00 0.00 C ATOM 1057 CD PRO A 68 1.310 -6.802 10.426 1.00 0.00 C ATOM 0 HA PRO A 68 0.675 -6.892 7.301 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.600 -7.320 8.943 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.335 -8.515 8.738 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.743 -6.552 10.968 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.177 -8.209 11.043 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.538 -6.138 11.259 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.018 -7.629 10.475 1.00 0.00 H new ATOM 1065 N GLU A 69 -1.098 -4.576 8.746 1.00 0.00 N ATOM 1066 CA GLU A 69 -2.007 -3.493 8.456 1.00 0.00 C ATOM 1067 C GLU A 69 -1.241 -2.225 8.180 1.00 0.00 C ATOM 1068 O GLU A 69 -1.716 -1.338 7.463 1.00 0.00 O ATOM 1069 CB GLU A 69 -2.951 -3.295 9.616 1.00 0.00 C ATOM 1070 CG GLU A 69 -3.786 -4.517 9.925 1.00 0.00 C ATOM 1071 CD GLU A 69 -4.574 -4.340 11.168 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -5.641 -3.691 11.123 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -4.107 -4.788 12.239 1.00 0.00 O ATOM 0 H GLU A 69 -0.897 -4.706 9.737 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.586 -3.744 7.567 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.376 -3.024 10.501 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.613 -2.457 9.397 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.460 -4.718 9.092 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.136 -5.386 10.026 1.00 0.00 H new ATOM 1080 N GLU A 70 -0.045 -2.145 8.733 1.00 0.00 N ATOM 1081 CA GLU A 70 0.793 -0.995 8.538 1.00 0.00 C ATOM 1082 C GLU A 70 1.267 -0.960 7.092 1.00 0.00 C ATOM 1083 O GLU A 70 1.201 0.069 6.437 1.00 0.00 O ATOM 1084 CB GLU A 70 1.969 -1.008 9.504 1.00 0.00 C ATOM 1085 CG GLU A 70 2.702 0.314 9.568 1.00 0.00 C ATOM 1086 CD GLU A 70 1.816 1.425 10.077 1.00 0.00 C ATOM 1087 OE1 GLU A 70 0.996 1.958 9.325 1.00 0.00 O ATOM 1088 OE2 GLU A 70 1.931 1.793 11.259 1.00 0.00 O ATOM 0 H GLU A 70 0.362 -2.871 9.322 1.00 0.00 H new ATOM 0 HA GLU A 70 0.218 -0.092 8.744 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.610 -1.265 10.500 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.668 -1.789 9.205 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.571 0.216 10.218 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.073 0.571 8.576 1.00 0.00 H new ATOM 1095 N ALA A 71 1.707 -2.119 6.591 1.00 0.00 N ATOM 1096 CA ALA A 71 2.091 -2.275 5.185 1.00 0.00 C ATOM 1097 C ALA A 71 0.952 -1.871 4.288 1.00 0.00 C ATOM 1098 O ALA A 71 1.152 -1.191 3.281 1.00 0.00 O ATOM 1099 CB ALA A 71 2.436 -3.711 4.894 1.00 0.00 C ATOM 0 H ALA A 71 1.806 -2.970 7.145 1.00 0.00 H new ATOM 0 HA ALA A 71 2.957 -1.640 4.999 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.719 -3.812 3.846 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.268 -4.021 5.526 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.571 -4.342 5.098 1.00 0.00 H new ATOM 1105 N TRP A 72 -0.243 -2.283 4.674 1.00 0.00 N ATOM 1106 CA TRP A 72 -1.428 -1.969 3.935 1.00 0.00 C ATOM 1107 C TRP A 72 -1.642 -0.460 3.871 1.00 0.00 C ATOM 1108 O TRP A 72 -1.892 0.106 2.787 1.00 0.00 O ATOM 1109 CB TRP A 72 -2.655 -2.705 4.519 1.00 0.00 C ATOM 1110 CG TRP A 72 -3.944 -2.352 3.841 1.00 0.00 C ATOM 1111 CD1 TRP A 72 -5.118 -1.989 4.437 1.00 0.00 C ATOM 1112 CD2 TRP A 72 -4.174 -2.283 2.432 1.00 0.00 C ATOM 1113 NE1 TRP A 72 -6.060 -1.720 3.478 1.00 0.00 N ATOM 1114 CE2 TRP A 72 -5.496 -1.888 2.246 1.00 0.00 C ATOM 1115 CE3 TRP A 72 -3.379 -2.517 1.311 1.00 0.00 C ATOM 1116 CZ2 TRP A 72 -6.039 -1.721 0.998 1.00 0.00 C ATOM 1117 CZ3 TRP A 72 -3.922 -2.353 0.066 1.00 0.00 C ATOM 1118 CH2 TRP A 72 -5.242 -1.955 -0.081 1.00 0.00 C ATOM 0 H TRP A 72 -0.407 -2.844 5.510 1.00 0.00 H new ATOM 0 HA TRP A 72 -1.300 -2.322 2.912 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.495 -3.780 4.440 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.737 -2.472 5.581 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.280 -1.924 5.503 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -7.025 -1.440 3.656 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.349 -2.823 1.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -7.067 -1.413 0.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.317 -2.535 -0.810 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -5.647 -1.828 -1.074 1.00 0.00 H new ATOM 1129 N ARG A 73 -1.501 0.193 5.003 1.00 0.00 N ATOM 1130 CA ARG A 73 -1.675 1.619 5.055 1.00 0.00 C ATOM 1131 C ARG A 73 -0.584 2.324 4.246 1.00 0.00 C ATOM 1132 O ARG A 73 -0.879 3.214 3.450 1.00 0.00 O ATOM 1133 CB ARG A 73 -1.713 2.139 6.491 1.00 0.00 C ATOM 1134 CG ARG A 73 -1.958 3.639 6.577 1.00 0.00 C ATOM 1135 CD ARG A 73 -2.058 4.129 8.007 1.00 0.00 C ATOM 1136 NE ARG A 73 -0.822 3.920 8.786 1.00 0.00 N ATOM 1137 CZ ARG A 73 -0.316 4.803 9.654 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -0.753 6.056 9.666 1.00 0.00 N ATOM 1139 NH2 ARG A 73 0.677 4.443 10.448 1.00 0.00 N ATOM 0 H ARG A 73 -1.267 -0.243 5.895 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.642 1.847 4.607 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.497 1.617 7.039 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.769 1.902 6.982 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.149 4.166 6.072 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.878 3.885 6.047 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.301 5.192 8.003 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.882 3.616 8.502 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.319 3.042 8.653 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.478 6.350 9.011 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.364 6.725 10.330 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.053 3.496 10.397 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.067 5.112 11.112 1.00 0.00 H new ATOM 1153 N LEU A 74 0.656 1.888 4.432 1.00 0.00 N ATOM 1154 CA LEU A 74 1.810 2.430 3.716 1.00 0.00 C ATOM 1155 C LEU A 74 1.634 2.321 2.210 1.00 0.00 C ATOM 1156 O LEU A 74 2.075 3.182 1.480 1.00 0.00 O ATOM 1157 CB LEU A 74 3.125 1.752 4.167 1.00 0.00 C ATOM 1158 CG LEU A 74 3.925 2.414 5.325 1.00 0.00 C ATOM 1159 CD1 LEU A 74 4.575 3.712 4.872 1.00 0.00 C ATOM 1160 CD2 LEU A 74 3.050 2.678 6.537 1.00 0.00 C ATOM 0 H LEU A 74 0.893 1.144 5.088 1.00 0.00 H new ATOM 0 HA LEU A 74 1.876 3.488 3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.889 0.730 4.465 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.783 1.688 3.300 1.00 0.00 H new ATOM 0 HG LEU A 74 4.704 1.707 5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.127 4.152 5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.260 3.508 4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.805 4.408 4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.647 3.141 7.323 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.235 3.347 6.259 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.639 1.736 6.901 1.00 0.00 H new ATOM 1172 N ALA A 75 0.966 1.283 1.753 1.00 0.00 N ATOM 1173 CA ALA A 75 0.715 1.141 0.342 1.00 0.00 C ATOM 1174 C ALA A 75 -0.362 2.088 -0.127 1.00 0.00 C ATOM 1175 O ALA A 75 -0.090 2.970 -0.940 1.00 0.00 O ATOM 1176 CB ALA A 75 0.389 -0.283 -0.030 1.00 0.00 C ATOM 0 H ALA A 75 0.592 0.534 2.335 1.00 0.00 H new ATOM 0 HA ALA A 75 1.638 1.408 -0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.207 -0.346 -1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.226 -0.929 0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.502 -0.605 0.509 1.00 0.00 H new ATOM 1182 N LEU A 76 -1.564 1.973 0.437 1.00 0.00 N ATOM 1183 CA LEU A 76 -2.700 2.766 -0.035 1.00 0.00 C ATOM 1184 C LEU A 76 -2.451 4.273 0.094 1.00 0.00 C ATOM 1185 O LEU A 76 -2.724 5.034 -0.829 1.00 0.00 O ATOM 1186 CB LEU A 76 -4.048 2.299 0.609 1.00 0.00 C ATOM 1187 CG LEU A 76 -4.265 2.516 2.127 1.00 0.00 C ATOM 1188 CD1 LEU A 76 -4.745 3.916 2.434 1.00 0.00 C ATOM 1189 CD2 LEU A 76 -5.235 1.512 2.684 1.00 0.00 C ATOM 0 H LEU A 76 -1.776 1.346 1.213 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.801 2.579 -1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.858 2.806 0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.157 1.233 0.409 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.296 2.377 2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.884 4.025 3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.005 4.638 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.692 4.096 1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.368 1.688 3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.195 1.613 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.847 0.506 2.528 1.00 0.00 H new ATOM 1201 N SER A 77 -1.839 4.669 1.190 1.00 0.00 N ATOM 1202 CA SER A 77 -1.589 6.062 1.475 1.00 0.00 C ATOM 1203 C SER A 77 -0.505 6.613 0.525 1.00 0.00 C ATOM 1204 O SER A 77 -0.499 7.801 0.202 1.00 0.00 O ATOM 1205 CB SER A 77 -1.196 6.201 2.962 1.00 0.00 C ATOM 1206 OG SER A 77 -1.123 7.554 3.398 1.00 0.00 O ATOM 0 H SER A 77 -1.501 4.030 1.909 1.00 0.00 H new ATOM 0 HA SER A 77 -2.487 6.655 1.303 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.923 5.667 3.575 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.230 5.722 3.122 1.00 0.00 H new ATOM 0 HG SER A 77 -0.872 7.579 4.345 1.00 0.00 H new ATOM 1212 N THR A 78 0.360 5.749 0.030 1.00 0.00 N ATOM 1213 CA THR A 78 1.373 6.187 -0.884 1.00 0.00 C ATOM 1214 C THR A 78 0.811 6.221 -2.306 1.00 0.00 C ATOM 1215 O THR A 78 1.215 7.065 -3.111 1.00 0.00 O ATOM 1216 CB THR A 78 2.639 5.312 -0.793 1.00 0.00 C ATOM 1217 OG1 THR A 78 3.135 5.359 0.546 1.00 0.00 O ATOM 1218 CG2 THR A 78 3.728 5.803 -1.731 1.00 0.00 C ATOM 0 H THR A 78 0.375 4.753 0.248 1.00 0.00 H new ATOM 0 HA THR A 78 1.674 7.198 -0.607 1.00 0.00 H new ATOM 0 HB THR A 78 2.372 4.295 -1.080 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.989 4.492 0.979 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.604 5.161 -1.639 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.364 5.774 -2.758 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.998 6.826 -1.470 1.00 0.00 H new ATOM 1226 N PHE A 79 -0.173 5.340 -2.587 1.00 0.00 N ATOM 1227 CA PHE A 79 -0.826 5.292 -3.896 1.00 0.00 C ATOM 1228 C PHE A 79 -1.336 6.662 -4.268 1.00 0.00 C ATOM 1229 O PHE A 79 -0.968 7.211 -5.293 1.00 0.00 O ATOM 1230 CB PHE A 79 -2.022 4.318 -3.938 1.00 0.00 C ATOM 1231 CG PHE A 79 -1.706 2.868 -3.747 1.00 0.00 C ATOM 1232 CD1 PHE A 79 -0.440 2.374 -3.978 1.00 0.00 C ATOM 1233 CD2 PHE A 79 -2.697 1.995 -3.334 1.00 0.00 C ATOM 1234 CE1 PHE A 79 -0.168 1.045 -3.799 1.00 0.00 C ATOM 1235 CE2 PHE A 79 -2.429 0.658 -3.153 1.00 0.00 C ATOM 1236 CZ PHE A 79 -1.161 0.180 -3.384 1.00 0.00 C ATOM 0 H PHE A 79 -0.527 4.655 -1.919 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.070 4.941 -4.599 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.733 4.617 -3.168 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.524 4.435 -4.898 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.344 3.042 -4.303 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.694 2.368 -3.151 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.828 0.671 -3.983 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.211 -0.013 -2.831 1.00 0.00 H new ATOM 0 HZ PHE A 79 -0.942 -0.868 -3.241 1.00 0.00 H new ATOM 1246 N GLU A 80 -2.132 7.246 -3.404 1.00 0.00 N ATOM 1247 CA GLU A 80 -2.731 8.534 -3.689 1.00 0.00 C ATOM 1248 C GLU A 80 -1.691 9.651 -3.812 1.00 0.00 C ATOM 1249 O GLU A 80 -1.917 10.641 -4.490 1.00 0.00 O ATOM 1250 CB GLU A 80 -3.776 8.906 -2.651 1.00 0.00 C ATOM 1251 CG GLU A 80 -3.276 8.928 -1.231 1.00 0.00 C ATOM 1252 CD GLU A 80 -3.889 10.053 -0.461 1.00 0.00 C ATOM 1253 OE1 GLU A 80 -5.009 10.474 -0.808 1.00 0.00 O ATOM 1254 OE2 GLU A 80 -3.219 10.604 0.459 1.00 0.00 O ATOM 0 H GLU A 80 -2.382 6.852 -2.497 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.221 8.431 -4.657 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.176 9.890 -2.896 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.603 8.199 -2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.510 7.981 -0.745 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.191 9.029 -1.226 1.00 0.00 H new ATOM 1261 N ARG A 81 -0.550 9.468 -3.205 1.00 0.00 N ATOM 1262 CA ARG A 81 0.471 10.494 -3.193 1.00 0.00 C ATOM 1263 C ARG A 81 1.455 10.341 -4.334 1.00 0.00 C ATOM 1264 O ARG A 81 2.256 11.221 -4.598 1.00 0.00 O ATOM 1265 CB ARG A 81 1.115 10.570 -1.822 1.00 0.00 C ATOM 1266 CG ARG A 81 0.073 10.969 -0.805 1.00 0.00 C ATOM 1267 CD ARG A 81 0.528 10.906 0.615 1.00 0.00 C ATOM 1268 NE ARG A 81 -0.605 11.219 1.503 1.00 0.00 N ATOM 1269 CZ ARG A 81 -0.517 11.795 2.706 1.00 0.00 C ATOM 1270 NH1 ARG A 81 0.667 11.969 3.289 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -1.624 12.159 3.346 1.00 0.00 N ATOM 0 H ARG A 81 -0.298 8.614 -2.708 1.00 0.00 H new ATOM 0 HA ARG A 81 0.001 11.461 -3.374 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.549 9.606 -1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.929 11.294 -1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.255 11.985 -1.022 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.796 10.321 -0.923 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.918 9.913 0.840 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.341 11.613 0.780 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.538 10.975 1.171 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.518 11.662 2.818 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.724 12.410 4.207 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.536 11.998 2.919 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.561 12.599 4.264 1.00 0.00 H new ATOM 1285 N ILE A 82 1.377 9.226 -5.027 1.00 0.00 N ATOM 1286 CA ILE A 82 2.146 9.042 -6.242 1.00 0.00 C ATOM 1287 C ILE A 82 1.214 9.206 -7.434 1.00 0.00 C ATOM 1288 O ILE A 82 1.516 8.774 -8.549 1.00 0.00 O ATOM 1289 CB ILE A 82 2.891 7.677 -6.308 1.00 0.00 C ATOM 1290 CG1 ILE A 82 1.920 6.484 -6.237 1.00 0.00 C ATOM 1291 CG2 ILE A 82 3.935 7.605 -5.202 1.00 0.00 C ATOM 1292 CD1 ILE A 82 2.584 5.126 -6.366 1.00 0.00 C ATOM 0 H ILE A 82 0.790 8.432 -4.771 1.00 0.00 H new ATOM 0 HA ILE A 82 2.929 9.800 -6.257 1.00 0.00 H new ATOM 0 HB ILE A 82 3.393 7.612 -7.273 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.384 6.524 -5.289 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.177 6.588 -7.028 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.453 6.648 -5.253 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.654 8.414 -5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.446 7.702 -4.233 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.827 4.344 -6.305 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.097 5.061 -7.326 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.306 4.996 -5.560 1.00 0.00 H new ATOM 1304 N ASN A 83 0.079 9.871 -7.162 1.00 0.00 N ATOM 1305 CA ASN A 83 -0.953 10.217 -8.147 1.00 0.00 C ATOM 1306 C ASN A 83 -1.737 9.001 -8.600 1.00 0.00 C ATOM 1307 O ASN A 83 -2.156 8.888 -9.757 1.00 0.00 O ATOM 1308 CB ASN A 83 -0.369 11.013 -9.329 1.00 0.00 C ATOM 1309 CG ASN A 83 0.236 12.355 -8.911 1.00 0.00 C ATOM 1310 OD1 ASN A 83 1.225 12.814 -9.500 1.00 0.00 O ATOM 1311 ND2 ASN A 83 -0.354 13.015 -7.941 1.00 0.00 N ATOM 0 H ASN A 83 -0.150 10.191 -6.221 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.666 10.874 -7.648 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.398 10.413 -9.819 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -1.155 11.189 -10.064 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.000 13.928 -7.656 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.167 12.615 -7.472 1.00 0.00 H new ATOM 1318 N ARG A 84 -1.949 8.105 -7.675 1.00 0.00 N ATOM 1319 CA ARG A 84 -2.731 6.926 -7.894 1.00 0.00 C ATOM 1320 C ARG A 84 -3.844 6.846 -6.830 1.00 0.00 C ATOM 1321 O ARG A 84 -3.912 5.927 -6.018 1.00 0.00 O ATOM 1322 CB ARG A 84 -1.807 5.672 -7.910 1.00 0.00 C ATOM 1323 CG ARG A 84 -2.504 4.328 -8.107 1.00 0.00 C ATOM 1324 CD ARG A 84 -3.502 4.384 -9.240 1.00 0.00 C ATOM 1325 NE ARG A 84 -2.905 4.838 -10.492 1.00 0.00 N ATOM 1326 CZ ARG A 84 -3.443 4.696 -11.711 1.00 0.00 C ATOM 1327 NH1 ARG A 84 -4.609 4.073 -11.876 1.00 0.00 N ATOM 1328 NH2 ARG A 84 -2.803 5.193 -12.763 1.00 0.00 N ATOM 0 H ARG A 84 -1.574 8.179 -6.729 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.219 6.965 -8.868 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.072 5.797 -8.705 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.257 5.639 -6.970 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.761 3.558 -8.313 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.013 4.042 -7.186 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.936 3.395 -9.386 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.318 5.053 -8.967 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.999 5.304 -10.434 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.105 3.696 -11.068 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.006 3.973 -12.810 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.913 5.676 -12.637 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.201 5.092 -13.697 1.00 0.00 H new ATOM 1342 N LYS A 85 -4.729 7.816 -6.865 1.00 0.00 N ATOM 1343 CA LYS A 85 -5.812 7.909 -5.903 1.00 0.00 C ATOM 1344 C LYS A 85 -6.890 6.903 -6.295 1.00 0.00 C ATOM 1345 O LYS A 85 -7.685 6.444 -5.473 1.00 0.00 O ATOM 1346 CB LYS A 85 -6.351 9.346 -5.862 1.00 0.00 C ATOM 1347 CG LYS A 85 -7.393 9.591 -4.783 1.00 0.00 C ATOM 1348 CD LYS A 85 -7.843 11.047 -4.724 1.00 0.00 C ATOM 1349 CE LYS A 85 -6.722 11.994 -4.286 1.00 0.00 C ATOM 1350 NZ LYS A 85 -6.297 11.780 -2.874 1.00 0.00 N ATOM 0 H LYS A 85 -4.722 8.564 -7.559 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.462 7.670 -4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.517 10.031 -5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.786 9.587 -6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.258 8.954 -4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.984 9.301 -3.815 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.207 11.351 -5.706 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.680 11.137 -4.032 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.863 11.859 -4.943 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.057 13.024 -4.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.471 12.377 -2.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.077 12.033 -2.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.046 10.780 -2.735 1.00 0.00 H new ATOM 1364 N ASP A 86 -6.834 6.536 -7.557 1.00 0.00 N ATOM 1365 CA ASP A 86 -7.670 5.524 -8.177 1.00 0.00 C ATOM 1366 C ASP A 86 -7.682 4.218 -7.369 1.00 0.00 C ATOM 1367 O ASP A 86 -8.744 3.740 -6.962 1.00 0.00 O ATOM 1368 CB ASP A 86 -7.165 5.304 -9.619 1.00 0.00 C ATOM 1369 CG ASP A 86 -7.448 3.940 -10.196 1.00 0.00 C ATOM 1370 OD1 ASP A 86 -8.568 3.681 -10.647 1.00 0.00 O ATOM 1371 OD2 ASP A 86 -6.511 3.111 -10.240 1.00 0.00 O ATOM 0 H ASP A 86 -6.173 6.954 -8.212 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.705 5.866 -8.199 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.619 6.056 -10.265 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.089 5.474 -9.640 1.00 0.00 H new ATOM 1376 N LEU A 87 -6.509 3.694 -7.074 1.00 0.00 N ATOM 1377 CA LEU A 87 -6.405 2.446 -6.318 1.00 0.00 C ATOM 1378 C LEU A 87 -6.521 2.695 -4.833 1.00 0.00 C ATOM 1379 O LEU A 87 -6.886 1.800 -4.084 1.00 0.00 O ATOM 1380 CB LEU A 87 -5.100 1.720 -6.608 1.00 0.00 C ATOM 1381 CG LEU A 87 -4.911 1.176 -8.015 1.00 0.00 C ATOM 1382 CD1 LEU A 87 -3.496 0.675 -8.176 1.00 0.00 C ATOM 1383 CD2 LEU A 87 -5.895 0.048 -8.294 1.00 0.00 C ATOM 0 H LEU A 87 -5.614 4.105 -7.341 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.233 1.815 -6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.278 2.403 -6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.012 0.889 -5.909 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.098 1.978 -8.729 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.361 0.285 -9.185 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.798 1.495 -8.007 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.306 -0.117 -7.452 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.742 -0.326 -9.306 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.734 -0.760 -7.580 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.914 0.422 -8.196 1.00 0.00 H new ATOM 1395 N TRP A 88 -6.213 3.906 -4.424 1.00 0.00 N ATOM 1396 CA TRP A 88 -6.295 4.310 -3.032 1.00 0.00 C ATOM 1397 C TRP A 88 -7.709 4.097 -2.495 1.00 0.00 C ATOM 1398 O TRP A 88 -7.897 3.434 -1.482 1.00 0.00 O ATOM 1399 CB TRP A 88 -5.872 5.774 -2.904 1.00 0.00 C ATOM 1400 CG TRP A 88 -6.112 6.385 -1.536 1.00 0.00 C ATOM 1401 CD1 TRP A 88 -5.434 6.130 -0.387 1.00 0.00 C ATOM 1402 CD2 TRP A 88 -7.099 7.367 -1.196 1.00 0.00 C ATOM 1403 NE1 TRP A 88 -5.935 6.888 0.638 1.00 0.00 N ATOM 1404 CE2 TRP A 88 -6.956 7.652 0.170 1.00 0.00 C ATOM 1405 CE3 TRP A 88 -8.083 8.025 -1.913 1.00 0.00 C ATOM 1406 CZ2 TRP A 88 -7.766 8.573 0.832 1.00 0.00 C ATOM 1407 CZ3 TRP A 88 -8.884 8.935 -1.268 1.00 0.00 C ATOM 1408 CH2 TRP A 88 -8.723 9.205 0.096 1.00 0.00 C ATOM 0 H TRP A 88 -5.896 4.646 -5.050 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.620 3.696 -2.436 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -4.811 5.854 -3.142 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.411 6.360 -3.649 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.617 5.430 -0.295 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.595 6.880 1.600 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -8.219 7.825 -2.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.640 8.777 1.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -9.652 9.452 -1.823 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -9.369 9.927 0.574 1.00 0.00 H new ATOM 1419 N GLU A 89 -8.689 4.604 -3.230 1.00 0.00 N ATOM 1420 CA GLU A 89 -10.098 4.493 -2.849 1.00 0.00 C ATOM 1421 C GLU A 89 -10.559 3.041 -2.856 1.00 0.00 C ATOM 1422 O GLU A 89 -11.442 2.654 -2.085 1.00 0.00 O ATOM 1423 CB GLU A 89 -10.963 5.293 -3.803 1.00 0.00 C ATOM 1424 CG GLU A 89 -10.573 6.742 -3.915 1.00 0.00 C ATOM 1425 CD GLU A 89 -11.482 7.498 -4.818 1.00 0.00 C ATOM 1426 OE1 GLU A 89 -11.525 7.196 -6.021 1.00 0.00 O ATOM 1427 OE2 GLU A 89 -12.204 8.387 -4.342 1.00 0.00 O ATOM 0 H GLU A 89 -8.535 5.103 -4.106 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.199 4.888 -1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.913 4.837 -4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.001 5.231 -3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.585 7.198 -2.925 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.551 6.814 -4.287 1.00 0.00 H new ATOM 1434 N ARG A 90 -9.938 2.245 -3.719 1.00 0.00 N ATOM 1435 CA ARG A 90 -10.277 0.835 -3.852 1.00 0.00 C ATOM 1436 C ARG A 90 -9.645 0.042 -2.731 1.00 0.00 C ATOM 1437 O ARG A 90 -10.052 -1.084 -2.434 1.00 0.00 O ATOM 1438 CB ARG A 90 -9.815 0.279 -5.192 1.00 0.00 C ATOM 1439 CG ARG A 90 -10.385 1.007 -6.390 1.00 0.00 C ATOM 1440 CD ARG A 90 -10.092 0.270 -7.675 1.00 0.00 C ATOM 1441 NE ARG A 90 -10.726 -1.064 -7.717 1.00 0.00 N ATOM 1442 CZ ARG A 90 -10.735 -1.861 -8.797 1.00 0.00 C ATOM 1443 NH1 ARG A 90 -10.178 -1.449 -9.928 1.00 0.00 N ATOM 1444 NH2 ARG A 90 -11.333 -3.057 -8.754 1.00 0.00 N ATOM 0 H ARG A 90 -9.192 2.556 -4.341 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.362 0.746 -3.798 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.727 0.324 -5.237 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.094 -0.773 -5.253 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.463 1.118 -6.271 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.964 2.011 -6.441 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.444 0.863 -8.519 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.014 0.160 -7.790 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.186 -1.401 -6.871 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.743 -0.527 -9.976 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.184 -2.054 -10.749 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.787 -3.370 -7.896 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.335 -3.656 -9.579 1.00 0.00 H new ATOM 1458 N GLY A 91 -8.631 0.618 -2.144 1.00 0.00 N ATOM 1459 CA GLY A 91 -7.981 0.033 -1.024 1.00 0.00 C ATOM 1460 C GLY A 91 -8.768 0.298 0.222 1.00 0.00 C ATOM 1461 O GLY A 91 -9.787 -0.359 0.471 1.00 0.00 O ATOM 0 H GLY A 91 -8.237 1.512 -2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.875 -1.041 -1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.976 0.442 -0.923 1.00 0.00 H new