USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=19 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 USER MOD Single : A 16 SER OG : rot 70:sc= 1.17 USER MOD Single : A 17 THR OG1 : rot 75:sc= 1.2 USER MOD Single : A 18 TYR OH : rot -108:sc= -0.365 USER MOD Single : A 28 LYS NZ :NH3+ 157:sc= -0.0943 (180deg=-0.543) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= -0.0326 (180deg=-0.234) USER MOD Single : A 31 LYS NZ :NH3+ -154:sc= 2.35 (180deg=2.07) USER MOD Single : A 33 TYR OH : rot -103:sc= 1.5 USER MOD Single : A 36 THR OG1 : rot -7:sc= 1.09 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -178:sc= 1.26 (180deg=1.19) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= -0.271 (180deg=-0.271) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -137:sc= -0.826 (180deg=-1.48) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 64 THR OG1 : rot 97:sc= 1.23 USER MOD Single : A 65 HIS :FLIP no HE2:sc=-0.00605 F(o=-1.5!,f=-0.0061) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 100:sc= 1.28 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.0254 F(o=-0.96,f=-0.025) USER MOD Single : A 85 LYS NZ :NH3+ -143:sc= 1.28 (180deg=0.977) USER MOD ----------------------------------------------------------------- ATOM 154 N GLY A 11 -5.126 -7.325 4.336 1.00 0.00 N ATOM 155 CA GLY A 11 -3.805 -6.769 4.392 1.00 0.00 C ATOM 156 C GLY A 11 -2.892 -7.323 3.329 1.00 0.00 C ATOM 157 O GLY A 11 -2.961 -6.902 2.194 1.00 0.00 O ATOM 0 HA2 GLY A 11 -3.867 -5.686 4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.374 -6.967 5.374 1.00 0.00 H new ATOM 161 N LEU A 12 -2.103 -8.328 3.696 1.00 0.00 N ATOM 162 CA LEU A 12 -1.036 -8.908 2.846 1.00 0.00 C ATOM 163 C LEU A 12 -1.520 -9.314 1.436 1.00 0.00 C ATOM 164 O LEU A 12 -0.873 -8.975 0.431 1.00 0.00 O ATOM 165 CB LEU A 12 -0.340 -10.088 3.610 1.00 0.00 C ATOM 166 CG LEU A 12 0.890 -10.825 2.967 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.487 -11.792 1.859 1.00 0.00 C ATOM 168 CD2 LEU A 12 1.932 -9.831 2.452 1.00 0.00 C ATOM 0 H LEU A 12 -2.178 -8.780 4.607 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.298 -8.127 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.017 -9.702 4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.103 -10.842 3.806 1.00 0.00 H new ATOM 0 HG LEU A 12 1.337 -11.417 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.378 -12.271 1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.181 -12.552 2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.024 -11.245 1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.769 -10.375 2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.480 -9.190 1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.291 -9.219 3.279 1.00 0.00 H new ATOM 180 N CYS A 13 -2.641 -9.997 1.350 1.00 0.00 N ATOM 181 CA CYS A 13 -3.140 -10.454 0.061 1.00 0.00 C ATOM 182 C CYS A 13 -3.612 -9.266 -0.784 1.00 0.00 C ATOM 183 O CYS A 13 -3.282 -9.157 -1.978 1.00 0.00 O ATOM 184 CB CYS A 13 -4.268 -11.478 0.244 1.00 0.00 C ATOM 185 SG CYS A 13 -4.874 -12.196 -1.306 1.00 0.00 S ATOM 0 H CYS A 13 -3.224 -10.249 2.148 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.323 -10.946 -0.467 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.914 -12.281 0.890 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.100 -10.998 0.759 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.821 -13.048 -1.048 1.00 0.00 H new ATOM 191 N ARG A 14 -4.328 -8.366 -0.148 1.00 0.00 N ATOM 192 CA ARG A 14 -4.864 -7.179 -0.792 1.00 0.00 C ATOM 193 C ARG A 14 -3.698 -6.283 -1.246 1.00 0.00 C ATOM 194 O ARG A 14 -3.687 -5.751 -2.355 1.00 0.00 O ATOM 195 CB ARG A 14 -5.756 -6.465 0.223 1.00 0.00 C ATOM 196 CG ARG A 14 -6.722 -5.476 -0.349 1.00 0.00 C ATOM 197 CD ARG A 14 -7.657 -4.971 0.732 1.00 0.00 C ATOM 198 NE ARG A 14 -8.725 -4.172 0.170 1.00 0.00 N ATOM 199 CZ ARG A 14 -9.375 -3.211 0.810 1.00 0.00 C ATOM 200 NH1 ARG A 14 -9.221 -3.044 2.130 1.00 0.00 N ATOM 201 NH2 ARG A 14 -10.231 -2.457 0.148 1.00 0.00 N ATOM 0 H ARG A 14 -4.559 -8.435 0.843 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.453 -7.431 -1.674 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.318 -7.216 0.778 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.118 -5.950 0.941 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.179 -4.640 -0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.297 -5.940 -1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.079 -5.816 1.275 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.096 -4.377 1.453 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.999 -4.364 -0.794 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.598 -3.660 2.653 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -9.726 -2.301 2.612 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.387 -2.616 -0.847 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.737 -1.715 0.631 1.00 0.00 H new ATOM 215 N LEU A 15 -2.708 -6.186 -0.379 1.00 0.00 N ATOM 216 CA LEU A 15 -1.479 -5.453 -0.595 1.00 0.00 C ATOM 217 C LEU A 15 -0.775 -5.959 -1.850 1.00 0.00 C ATOM 218 O LEU A 15 -0.459 -5.177 -2.744 1.00 0.00 O ATOM 219 CB LEU A 15 -0.593 -5.658 0.638 1.00 0.00 C ATOM 220 CG LEU A 15 0.779 -5.017 0.652 1.00 0.00 C ATOM 221 CD1 LEU A 15 0.667 -3.520 0.584 1.00 0.00 C ATOM 222 CD2 LEU A 15 1.519 -5.434 1.899 1.00 0.00 C ATOM 0 H LEU A 15 -2.742 -6.637 0.535 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.687 -4.393 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.141 -5.290 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.460 -6.731 0.777 1.00 0.00 H new ATOM 0 HG LEU A 15 1.335 -5.353 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.664 -3.080 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.155 -3.235 -0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.101 -3.158 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.506 -4.972 1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.960 -5.113 2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.626 -6.519 1.913 1.00 0.00 H new ATOM 234 N SER A 16 -0.581 -7.274 -1.920 1.00 0.00 N ATOM 235 CA SER A 16 0.066 -7.904 -3.058 1.00 0.00 C ATOM 236 C SER A 16 -0.710 -7.598 -4.347 1.00 0.00 C ATOM 237 O SER A 16 -0.127 -7.183 -5.344 1.00 0.00 O ATOM 238 CB SER A 16 0.160 -9.427 -2.833 1.00 0.00 C ATOM 239 OG SER A 16 0.844 -9.733 -1.609 1.00 0.00 O ATOM 0 H SER A 16 -0.868 -7.927 -1.191 1.00 0.00 H new ATOM 0 HA SER A 16 1.074 -7.502 -3.160 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.842 -9.856 -2.809 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.684 -9.889 -3.670 1.00 0.00 H new ATOM 0 HG SER A 16 0.280 -9.482 -0.848 1.00 0.00 H new ATOM 245 N THR A 17 -2.028 -7.729 -4.271 1.00 0.00 N ATOM 246 CA THR A 17 -2.909 -7.514 -5.405 1.00 0.00 C ATOM 247 C THR A 17 -2.823 -6.054 -5.927 1.00 0.00 C ATOM 248 O THR A 17 -2.696 -5.823 -7.130 1.00 0.00 O ATOM 249 CB THR A 17 -4.374 -7.871 -5.020 1.00 0.00 C ATOM 250 OG1 THR A 17 -4.414 -9.216 -4.476 1.00 0.00 O ATOM 251 CG2 THR A 17 -5.297 -7.801 -6.235 1.00 0.00 C ATOM 0 H THR A 17 -2.516 -7.989 -3.414 1.00 0.00 H new ATOM 0 HA THR A 17 -2.583 -8.170 -6.212 1.00 0.00 H new ATOM 0 HB THR A 17 -4.717 -7.149 -4.279 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.056 -9.211 -3.564 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.314 -8.055 -5.935 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.282 -6.791 -6.646 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.955 -8.506 -6.993 1.00 0.00 H new ATOM 259 N TYR A 18 -2.846 -5.084 -5.020 1.00 0.00 N ATOM 260 CA TYR A 18 -2.797 -3.684 -5.422 1.00 0.00 C ATOM 261 C TYR A 18 -1.431 -3.234 -5.891 1.00 0.00 C ATOM 262 O TYR A 18 -1.326 -2.396 -6.789 1.00 0.00 O ATOM 263 CB TYR A 18 -3.376 -2.751 -4.364 1.00 0.00 C ATOM 264 CG TYR A 18 -4.875 -2.777 -4.348 1.00 0.00 C ATOM 265 CD1 TYR A 18 -5.578 -2.133 -5.342 1.00 0.00 C ATOM 266 CD2 TYR A 18 -5.587 -3.449 -3.373 1.00 0.00 C ATOM 267 CE1 TYR A 18 -6.942 -2.158 -5.378 1.00 0.00 C ATOM 268 CE2 TYR A 18 -6.966 -3.475 -3.395 1.00 0.00 C ATOM 269 CZ TYR A 18 -7.638 -2.828 -4.406 1.00 0.00 C ATOM 270 OH TYR A 18 -9.015 -2.866 -4.465 1.00 0.00 O ATOM 0 H TYR A 18 -2.898 -5.238 -4.013 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.445 -3.616 -6.296 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.998 -3.038 -3.383 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.034 -1.733 -4.552 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.039 -1.597 -6.109 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.057 -3.961 -2.583 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -7.472 -1.651 -6.171 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.513 -3.999 -2.625 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.388 -2.300 -3.757 1.00 0.00 H new ATOM 280 N LEU A 19 -0.388 -3.799 -5.327 1.00 0.00 N ATOM 281 CA LEU A 19 0.961 -3.452 -5.746 1.00 0.00 C ATOM 282 C LEU A 19 1.270 -4.004 -7.139 1.00 0.00 C ATOM 283 O LEU A 19 2.135 -3.487 -7.841 1.00 0.00 O ATOM 284 CB LEU A 19 1.997 -3.882 -4.708 1.00 0.00 C ATOM 285 CG LEU A 19 1.977 -3.093 -3.386 1.00 0.00 C ATOM 286 CD1 LEU A 19 2.916 -3.713 -2.379 1.00 0.00 C ATOM 287 CD2 LEU A 19 2.364 -1.642 -3.632 1.00 0.00 C ATOM 0 H LEU A 19 -0.441 -4.495 -4.583 1.00 0.00 H new ATOM 0 HA LEU A 19 1.020 -2.366 -5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.844 -4.938 -4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.989 -3.791 -5.151 1.00 0.00 H new ATOM 0 HG LEU A 19 0.965 -3.128 -2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.886 -3.140 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.610 -4.740 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.931 -3.707 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.346 -1.096 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.367 -1.600 -4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.657 -1.190 -4.327 1.00 0.00 H new ATOM 299 N GLU A 20 0.525 -5.025 -7.556 1.00 0.00 N ATOM 300 CA GLU A 20 0.672 -5.579 -8.900 1.00 0.00 C ATOM 301 C GLU A 20 0.166 -4.609 -9.949 1.00 0.00 C ATOM 302 O GLU A 20 0.566 -4.669 -11.112 1.00 0.00 O ATOM 303 CB GLU A 20 -0.062 -6.903 -9.051 1.00 0.00 C ATOM 304 CG GLU A 20 0.529 -8.042 -8.260 1.00 0.00 C ATOM 305 CD GLU A 20 -0.167 -9.336 -8.541 1.00 0.00 C ATOM 306 OE1 GLU A 20 -0.035 -9.854 -9.674 1.00 0.00 O ATOM 307 OE2 GLU A 20 -0.803 -9.907 -7.643 1.00 0.00 O ATOM 0 H GLU A 20 -0.184 -5.484 -6.985 1.00 0.00 H new ATOM 0 HA GLU A 20 1.738 -5.752 -9.049 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.099 -6.765 -8.745 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.074 -7.178 -10.106 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.588 -8.140 -8.500 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.463 -7.818 -7.195 1.00 0.00 H new ATOM 314 N GLU A 21 -0.684 -3.701 -9.531 1.00 0.00 N ATOM 315 CA GLU A 21 -1.264 -2.726 -10.423 1.00 0.00 C ATOM 316 C GLU A 21 -0.394 -1.489 -10.572 1.00 0.00 C ATOM 317 O GLU A 21 -0.756 -0.531 -11.269 1.00 0.00 O ATOM 318 CB GLU A 21 -2.677 -2.370 -9.983 1.00 0.00 C ATOM 319 CG GLU A 21 -3.671 -3.489 -10.220 1.00 0.00 C ATOM 320 CD GLU A 21 -3.805 -3.796 -11.690 1.00 0.00 C ATOM 321 OE1 GLU A 21 -3.053 -4.647 -12.219 1.00 0.00 O ATOM 322 OE2 GLU A 21 -4.651 -3.158 -12.369 1.00 0.00 O ATOM 0 H GLU A 21 -0.993 -3.618 -8.562 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.320 -3.181 -11.412 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.669 -2.118 -8.923 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.005 -1.480 -10.520 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.350 -4.384 -9.687 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.643 -3.208 -9.814 1.00 0.00 H new ATOM 329 N LEU A 22 0.747 -1.501 -9.939 1.00 0.00 N ATOM 330 CA LEU A 22 1.686 -0.425 -10.086 1.00 0.00 C ATOM 331 C LEU A 22 2.782 -0.854 -11.030 1.00 0.00 C ATOM 332 O LEU A 22 3.175 -2.025 -11.044 1.00 0.00 O ATOM 333 CB LEU A 22 2.290 -0.002 -8.743 1.00 0.00 C ATOM 334 CG LEU A 22 1.340 0.583 -7.699 1.00 0.00 C ATOM 335 CD1 LEU A 22 2.127 1.001 -6.473 1.00 0.00 C ATOM 336 CD2 LEU A 22 0.565 1.770 -8.262 1.00 0.00 C ATOM 0 H LEU A 22 1.049 -2.248 -9.314 1.00 0.00 H new ATOM 0 HA LEU A 22 1.155 0.438 -10.488 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.779 -0.872 -8.304 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.069 0.735 -8.941 1.00 0.00 H new ATOM 0 HG LEU A 22 0.617 -0.184 -7.421 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.448 1.418 -5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.635 0.133 -6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.865 1.753 -6.753 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.103 2.165 -7.496 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.264 2.548 -8.570 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.021 1.447 -9.122 1.00 0.00 H new ATOM 348 N GLU A 23 3.248 0.064 -11.838 1.00 0.00 N ATOM 349 CA GLU A 23 4.338 -0.217 -12.750 1.00 0.00 C ATOM 350 C GLU A 23 5.632 -0.250 -11.959 1.00 0.00 C ATOM 351 O GLU A 23 5.654 0.185 -10.806 1.00 0.00 O ATOM 352 CB GLU A 23 4.439 0.867 -13.819 1.00 0.00 C ATOM 353 CG GLU A 23 3.174 1.104 -14.613 1.00 0.00 C ATOM 354 CD GLU A 23 2.695 -0.140 -15.323 1.00 0.00 C ATOM 355 OE1 GLU A 23 3.140 -0.415 -16.446 1.00 0.00 O ATOM 356 OE2 GLU A 23 1.866 -0.882 -14.752 1.00 0.00 O ATOM 0 H GLU A 23 2.891 1.018 -11.886 1.00 0.00 H new ATOM 0 HA GLU A 23 4.157 -1.174 -13.238 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.730 1.802 -13.340 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.239 0.601 -14.510 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.391 1.461 -13.944 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.351 1.891 -15.346 1.00 0.00 H new ATOM 363 N ALA A 24 6.708 -0.707 -12.577 1.00 0.00 N ATOM 364 CA ALA A 24 8.012 -0.767 -11.915 1.00 0.00 C ATOM 365 C ALA A 24 8.444 0.634 -11.481 1.00 0.00 C ATOM 366 O ALA A 24 8.968 0.829 -10.376 1.00 0.00 O ATOM 367 CB ALA A 24 9.050 -1.405 -12.830 1.00 0.00 C ATOM 0 H ALA A 24 6.710 -1.044 -13.540 1.00 0.00 H new ATOM 0 HA ALA A 24 7.928 -1.390 -11.025 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.012 -1.440 -12.320 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.737 -2.418 -13.085 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.144 -0.814 -13.741 1.00 0.00 H new ATOM 373 N VAL A 25 8.156 1.606 -12.334 1.00 0.00 N ATOM 374 CA VAL A 25 8.437 3.003 -12.054 1.00 0.00 C ATOM 375 C VAL A 25 7.591 3.505 -10.861 1.00 0.00 C ATOM 376 O VAL A 25 8.079 4.243 -10.005 1.00 0.00 O ATOM 377 CB VAL A 25 8.200 3.900 -13.319 1.00 0.00 C ATOM 378 CG1 VAL A 25 6.777 3.786 -13.836 1.00 0.00 C ATOM 379 CG2 VAL A 25 8.510 5.348 -13.025 1.00 0.00 C ATOM 0 H VAL A 25 7.720 1.446 -13.242 1.00 0.00 H new ATOM 0 HA VAL A 25 9.490 3.080 -11.785 1.00 0.00 H new ATOM 0 HB VAL A 25 8.878 3.535 -14.090 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.656 4.423 -14.712 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.571 2.751 -14.109 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.081 4.102 -13.059 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.337 5.946 -13.920 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.865 5.702 -12.221 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.553 5.443 -12.722 1.00 0.00 H new ATOM 389 N GLU A 26 6.359 3.036 -10.779 1.00 0.00 N ATOM 390 CA GLU A 26 5.440 3.454 -9.731 1.00 0.00 C ATOM 391 C GLU A 26 5.857 2.842 -8.409 1.00 0.00 C ATOM 392 O GLU A 26 5.805 3.488 -7.369 1.00 0.00 O ATOM 393 CB GLU A 26 4.019 3.036 -10.074 1.00 0.00 C ATOM 394 CG GLU A 26 3.495 3.612 -11.369 1.00 0.00 C ATOM 395 CD GLU A 26 3.460 5.115 -11.378 1.00 0.00 C ATOM 396 OE1 GLU A 26 2.603 5.692 -10.713 1.00 0.00 O ATOM 397 OE2 GLU A 26 4.287 5.736 -12.078 1.00 0.00 O ATOM 0 H GLU A 26 5.967 2.358 -11.432 1.00 0.00 H new ATOM 0 HA GLU A 26 5.471 4.540 -9.649 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.977 1.948 -10.131 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.358 3.339 -9.262 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.119 3.265 -12.192 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.490 3.231 -11.548 1.00 0.00 H new ATOM 404 N LEU A 27 6.298 1.602 -8.473 1.00 0.00 N ATOM 405 CA LEU A 27 6.800 0.884 -7.312 1.00 0.00 C ATOM 406 C LEU A 27 8.038 1.580 -6.761 1.00 0.00 C ATOM 407 O LEU A 27 8.238 1.659 -5.556 1.00 0.00 O ATOM 408 CB LEU A 27 7.132 -0.559 -7.692 1.00 0.00 C ATOM 409 CG LEU A 27 5.960 -1.447 -8.115 1.00 0.00 C ATOM 410 CD1 LEU A 27 6.475 -2.776 -8.629 1.00 0.00 C ATOM 411 CD2 LEU A 27 5.013 -1.676 -6.946 1.00 0.00 C ATOM 0 H LEU A 27 6.320 1.058 -9.336 1.00 0.00 H new ATOM 0 HA LEU A 27 6.030 0.877 -6.541 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.854 -0.538 -8.508 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.625 -1.030 -6.842 1.00 0.00 H new ATOM 0 HG LEU A 27 5.414 -0.942 -8.912 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.634 -3.401 -8.928 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.124 -2.607 -9.488 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.038 -3.277 -7.842 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.186 -2.310 -7.266 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.550 -2.164 -6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.624 -0.718 -6.600 1.00 0.00 H new ATOM 423 N LYS A 28 8.840 2.115 -7.665 1.00 0.00 N ATOM 424 CA LYS A 28 10.043 2.847 -7.315 1.00 0.00 C ATOM 425 C LYS A 28 9.663 4.128 -6.558 1.00 0.00 C ATOM 426 O LYS A 28 10.291 4.485 -5.552 1.00 0.00 O ATOM 427 CB LYS A 28 10.810 3.201 -8.589 1.00 0.00 C ATOM 428 CG LYS A 28 12.202 3.740 -8.359 1.00 0.00 C ATOM 429 CD LYS A 28 12.856 4.127 -9.672 1.00 0.00 C ATOM 430 CE LYS A 28 14.358 4.297 -9.515 1.00 0.00 C ATOM 431 NZ LYS A 28 15.014 3.008 -9.174 1.00 0.00 N ATOM 0 H LYS A 28 8.673 2.053 -8.669 1.00 0.00 H new ATOM 0 HA LYS A 28 10.675 2.230 -6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.879 2.311 -9.215 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.237 3.940 -9.148 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.156 4.608 -7.701 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.808 2.988 -7.854 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.651 3.362 -10.421 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.419 5.056 -10.038 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.781 4.689 -10.440 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.564 5.030 -8.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.017 3.046 -9.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.941 2.841 -8.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.544 2.234 -9.685 1.00 0.00 H new ATOM 445 N LYS A 29 8.617 4.794 -7.048 1.00 0.00 N ATOM 446 CA LYS A 29 8.088 6.012 -6.423 1.00 0.00 C ATOM 447 C LYS A 29 7.584 5.679 -5.033 1.00 0.00 C ATOM 448 O LYS A 29 7.927 6.332 -4.044 1.00 0.00 O ATOM 449 CB LYS A 29 6.907 6.545 -7.220 1.00 0.00 C ATOM 450 CG LYS A 29 7.203 6.978 -8.644 1.00 0.00 C ATOM 451 CD LYS A 29 5.934 7.483 -9.306 1.00 0.00 C ATOM 452 CE LYS A 29 6.196 8.115 -10.662 1.00 0.00 C ATOM 453 NZ LYS A 29 7.064 9.316 -10.573 1.00 0.00 N ATOM 0 H LYS A 29 8.112 4.507 -7.887 1.00 0.00 H new ATOM 0 HA LYS A 29 8.884 6.756 -6.388 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.137 5.774 -7.249 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.487 7.395 -6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.960 7.762 -8.645 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.610 6.141 -9.211 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.235 6.655 -9.424 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.455 8.214 -8.655 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.664 7.380 -11.317 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.246 8.391 -11.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.008 9.851 -11.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.745 9.917 -9.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.048 9.022 -10.407 1.00 0.00 H new ATOM 467 N PHE A 30 6.763 4.648 -4.996 1.00 0.00 N ATOM 468 CA PHE A 30 6.178 4.096 -3.794 1.00 0.00 C ATOM 469 C PHE A 30 7.253 3.794 -2.748 1.00 0.00 C ATOM 470 O PHE A 30 7.143 4.202 -1.590 1.00 0.00 O ATOM 471 CB PHE A 30 5.355 2.848 -4.204 1.00 0.00 C ATOM 472 CG PHE A 30 5.152 1.802 -3.156 1.00 0.00 C ATOM 473 CD1 PHE A 30 4.336 2.016 -2.073 1.00 0.00 C ATOM 474 CD2 PHE A 30 5.789 0.586 -3.280 1.00 0.00 C ATOM 475 CE1 PHE A 30 4.162 1.032 -1.123 1.00 0.00 C ATOM 476 CE2 PHE A 30 5.622 -0.399 -2.339 1.00 0.00 C ATOM 477 CZ PHE A 30 4.806 -0.176 -1.256 1.00 0.00 C ATOM 0 H PHE A 30 6.474 4.152 -5.840 1.00 0.00 H new ATOM 0 HA PHE A 30 5.511 4.814 -3.317 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.375 3.184 -4.544 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.846 2.382 -5.058 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.827 2.962 -1.964 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.429 0.406 -4.131 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.519 1.210 -0.273 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.130 -1.346 -2.449 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.671 -0.947 -0.512 1.00 0.00 H new ATOM 487 N LYS A 31 8.297 3.127 -3.183 1.00 0.00 N ATOM 488 CA LYS A 31 9.426 2.789 -2.341 1.00 0.00 C ATOM 489 C LYS A 31 10.071 4.030 -1.742 1.00 0.00 C ATOM 490 O LYS A 31 10.241 4.120 -0.531 1.00 0.00 O ATOM 491 CB LYS A 31 10.487 2.057 -3.155 1.00 0.00 C ATOM 492 CG LYS A 31 11.780 1.849 -2.391 1.00 0.00 C ATOM 493 CD LYS A 31 12.965 1.815 -3.318 1.00 0.00 C ATOM 494 CE LYS A 31 14.250 1.795 -2.526 1.00 0.00 C ATOM 495 NZ LYS A 31 15.419 1.998 -3.383 1.00 0.00 N ATOM 0 H LYS A 31 8.389 2.799 -4.144 1.00 0.00 H new ATOM 0 HA LYS A 31 9.047 2.156 -1.538 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.095 1.089 -3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.695 2.623 -4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.908 2.651 -1.664 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.727 0.916 -1.831 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.910 0.934 -3.957 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.948 2.686 -3.974 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.219 2.573 -1.763 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.342 0.842 -2.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 16.253 1.560 -2.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.249 1.561 -4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.587 3.017 -3.505 1.00 0.00 H new ATOM 509 N LEU A 32 10.433 4.977 -2.583 1.00 0.00 N ATOM 510 CA LEU A 32 11.177 6.126 -2.122 1.00 0.00 C ATOM 511 C LEU A 32 10.348 7.004 -1.195 1.00 0.00 C ATOM 512 O LEU A 32 10.890 7.696 -0.322 1.00 0.00 O ATOM 513 CB LEU A 32 11.802 6.907 -3.305 1.00 0.00 C ATOM 514 CG LEU A 32 10.870 7.654 -4.275 1.00 0.00 C ATOM 515 CD1 LEU A 32 10.466 9.011 -3.722 1.00 0.00 C ATOM 516 CD2 LEU A 32 11.530 7.790 -5.631 1.00 0.00 C ATOM 0 H LEU A 32 10.225 4.973 -3.582 1.00 0.00 H new ATOM 0 HA LEU A 32 12.010 5.764 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.498 7.636 -2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.392 6.202 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 32 9.957 7.069 -4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.808 9.512 -4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.943 8.877 -2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.357 9.619 -3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.862 8.320 -6.309 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.460 8.348 -5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.744 6.799 -6.033 1.00 0.00 H new ATOM 528 N TYR A 33 9.049 6.957 -1.354 1.00 0.00 N ATOM 529 CA TYR A 33 8.179 7.740 -0.524 1.00 0.00 C ATOM 530 C TYR A 33 8.208 7.249 0.926 1.00 0.00 C ATOM 531 O TYR A 33 8.087 8.034 1.845 1.00 0.00 O ATOM 532 CB TYR A 33 6.734 7.749 -1.060 1.00 0.00 C ATOM 533 CG TYR A 33 5.840 8.637 -0.236 1.00 0.00 C ATOM 534 CD1 TYR A 33 5.766 9.983 -0.501 1.00 0.00 C ATOM 535 CD2 TYR A 33 5.131 8.135 0.852 1.00 0.00 C ATOM 536 CE1 TYR A 33 5.016 10.822 0.293 1.00 0.00 C ATOM 537 CE2 TYR A 33 4.370 8.954 1.643 1.00 0.00 C ATOM 538 CZ TYR A 33 4.317 10.308 1.363 1.00 0.00 C ATOM 539 OH TYR A 33 3.596 11.160 2.179 1.00 0.00 O ATOM 0 H TYR A 33 8.574 6.384 -2.051 1.00 0.00 H new ATOM 0 HA TYR A 33 8.551 8.764 -0.549 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.732 8.090 -2.095 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.339 6.733 -1.059 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.304 10.389 -1.345 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.182 7.080 1.076 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.976 11.880 0.077 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.817 8.547 2.477 1.00 0.00 H new ATOM 0 HH TYR A 33 4.092 11.314 3.010 1.00 0.00 H new ATOM 549 N LEU A 34 8.395 5.970 1.115 1.00 0.00 N ATOM 550 CA LEU A 34 8.343 5.416 2.451 1.00 0.00 C ATOM 551 C LEU A 34 9.685 4.912 2.981 1.00 0.00 C ATOM 552 O LEU A 34 9.950 4.965 4.188 1.00 0.00 O ATOM 553 CB LEU A 34 7.226 4.364 2.533 1.00 0.00 C ATOM 554 CG LEU A 34 7.192 3.253 1.470 1.00 0.00 C ATOM 555 CD1 LEU A 34 8.238 2.174 1.705 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.803 2.667 1.395 1.00 0.00 C ATOM 0 H LEU A 34 8.583 5.295 0.374 1.00 0.00 H new ATOM 0 HA LEU A 34 8.101 6.235 3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.290 3.887 3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.271 4.889 2.496 1.00 0.00 H new ATOM 0 HG LEU A 34 7.446 3.705 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.164 1.419 0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.232 2.621 1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.069 1.708 2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.780 1.880 0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.532 2.249 2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.093 3.448 1.125 1.00 0.00 H new ATOM 568 N GLY A 35 10.532 4.457 2.100 1.00 0.00 N ATOM 569 CA GLY A 35 11.775 3.893 2.525 1.00 0.00 C ATOM 570 C GLY A 35 12.860 4.934 2.716 1.00 0.00 C ATOM 571 O GLY A 35 13.526 4.959 3.743 1.00 0.00 O ATOM 0 H GLY A 35 10.383 4.467 1.091 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.624 3.357 3.462 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.107 3.161 1.789 1.00 0.00 H new ATOM 575 N THR A 36 13.019 5.821 1.743 1.00 0.00 N ATOM 576 CA THR A 36 14.063 6.858 1.808 1.00 0.00 C ATOM 577 C THR A 36 13.521 8.128 2.486 1.00 0.00 C ATOM 578 O THR A 36 14.108 9.205 2.385 1.00 0.00 O ATOM 579 CB THR A 36 14.589 7.219 0.379 1.00 0.00 C ATOM 580 OG1 THR A 36 13.519 7.682 -0.453 1.00 0.00 O ATOM 581 CG2 THR A 36 15.218 6.020 -0.304 1.00 0.00 C ATOM 0 H THR A 36 12.446 5.851 0.900 1.00 0.00 H new ATOM 0 HA THR A 36 14.888 6.457 2.396 1.00 0.00 H new ATOM 0 HB THR A 36 15.337 8.000 0.511 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.667 7.572 0.019 1.00 0.00 H new ATOM 0 HG21 THR A 36 15.572 6.309 -1.294 1.00 0.00 H new ATOM 0 HG22 THR A 36 16.058 5.662 0.291 1.00 0.00 H new ATOM 0 HG23 THR A 36 14.477 5.226 -0.401 1.00 0.00 H new ATOM 589 N ALA A 37 12.426 7.983 3.189 1.00 0.00 N ATOM 590 CA ALA A 37 11.740 9.105 3.766 1.00 0.00 C ATOM 591 C ALA A 37 12.118 9.353 5.206 1.00 0.00 C ATOM 592 O ALA A 37 12.237 8.419 6.008 1.00 0.00 O ATOM 593 CB ALA A 37 10.268 8.886 3.678 1.00 0.00 C ATOM 0 H ALA A 37 11.987 7.082 3.376 1.00 0.00 H new ATOM 0 HA ALA A 37 12.039 9.986 3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.747 9.737 4.116 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.978 8.781 2.633 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.002 7.979 4.221 1.00 0.00 H new ATOM 599 N THR A 38 12.262 10.605 5.535 1.00 0.00 N ATOM 600 CA THR A 38 12.547 11.025 6.876 1.00 0.00 C ATOM 601 C THR A 38 11.216 11.158 7.660 1.00 0.00 C ATOM 602 O THR A 38 11.187 11.138 8.891 1.00 0.00 O ATOM 603 CB THR A 38 13.324 12.364 6.861 1.00 0.00 C ATOM 604 OG1 THR A 38 14.432 12.260 5.934 1.00 0.00 O ATOM 605 CG2 THR A 38 13.884 12.685 8.239 1.00 0.00 C ATOM 0 H THR A 38 12.183 11.373 4.869 1.00 0.00 H new ATOM 0 HA THR A 38 13.173 10.283 7.371 1.00 0.00 H new ATOM 0 HB THR A 38 12.636 13.155 6.561 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.927 13.106 5.919 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.425 13.630 8.201 1.00 0.00 H new ATOM 0 HG22 THR A 38 13.066 12.764 8.955 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.563 11.891 8.550 1.00 0.00 H new ATOM 613 N GLU A 39 10.107 11.211 6.921 1.00 0.00 N ATOM 614 CA GLU A 39 8.767 11.283 7.526 1.00 0.00 C ATOM 615 C GLU A 39 8.361 9.928 8.124 1.00 0.00 C ATOM 616 O GLU A 39 7.337 9.799 8.783 1.00 0.00 O ATOM 617 CB GLU A 39 7.710 11.818 6.539 1.00 0.00 C ATOM 618 CG GLU A 39 7.506 10.982 5.286 1.00 0.00 C ATOM 619 CD GLU A 39 6.519 11.606 4.334 1.00 0.00 C ATOM 620 OE1 GLU A 39 5.288 11.423 4.514 1.00 0.00 O ATOM 621 OE2 GLU A 39 6.954 12.327 3.410 1.00 0.00 O ATOM 0 H GLU A 39 10.105 11.206 5.901 1.00 0.00 H new ATOM 0 HA GLU A 39 8.816 12.004 8.342 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.757 11.897 7.062 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.994 12.827 6.240 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.462 10.852 4.780 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.157 9.989 5.568 1.00 0.00 H new ATOM 628 N LEU A 40 9.186 8.921 7.869 1.00 0.00 N ATOM 629 CA LEU A 40 9.047 7.606 8.477 1.00 0.00 C ATOM 630 C LEU A 40 10.083 7.443 9.576 1.00 0.00 C ATOM 631 O LEU A 40 10.336 6.338 10.080 1.00 0.00 O ATOM 632 CB LEU A 40 9.218 6.491 7.453 1.00 0.00 C ATOM 633 CG LEU A 40 7.962 6.029 6.682 1.00 0.00 C ATOM 634 CD1 LEU A 40 6.871 5.557 7.627 1.00 0.00 C ATOM 635 CD2 LEU A 40 7.435 7.098 5.746 1.00 0.00 C ATOM 0 H LEU A 40 9.977 8.995 7.229 1.00 0.00 H new ATOM 0 HA LEU A 40 8.041 7.533 8.891 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.959 6.816 6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.635 5.624 7.966 1.00 0.00 H new ATOM 0 HG LEU A 40 8.270 5.183 6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.002 5.239 7.050 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.240 4.719 8.219 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.587 6.373 8.291 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.552 6.724 5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.170 7.986 6.320 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.203 7.354 5.016 1.00 0.00 H new ATOM 647 N GLY A 41 10.698 8.534 9.902 1.00 0.00 N ATOM 648 CA GLY A 41 11.680 8.593 10.936 1.00 0.00 C ATOM 649 C GLY A 41 13.032 8.232 10.410 1.00 0.00 C ATOM 650 O GLY A 41 13.829 9.097 10.020 1.00 0.00 O ATOM 0 H GLY A 41 10.527 9.430 9.446 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.707 9.597 11.361 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.406 7.913 11.742 1.00 0.00 H new ATOM 654 N GLU A 42 13.298 6.974 10.408 1.00 0.00 N ATOM 655 CA GLU A 42 14.550 6.462 9.915 1.00 0.00 C ATOM 656 C GLU A 42 14.343 5.986 8.499 1.00 0.00 C ATOM 657 O GLU A 42 15.250 6.008 7.673 1.00 0.00 O ATOM 658 CB GLU A 42 15.048 5.241 10.739 1.00 0.00 C ATOM 659 CG GLU A 42 14.850 5.303 12.253 1.00 0.00 C ATOM 660 CD GLU A 42 13.453 4.872 12.687 1.00 0.00 C ATOM 661 OE1 GLU A 42 12.519 5.683 12.650 1.00 0.00 O ATOM 662 OE2 GLU A 42 13.273 3.701 13.068 1.00 0.00 O ATOM 0 H GLU A 42 12.657 6.258 10.748 1.00 0.00 H new ATOM 0 HA GLU A 42 15.287 7.262 9.986 1.00 0.00 H new ATOM 0 HB2 GLU A 42 14.541 4.351 10.367 1.00 0.00 H new ATOM 0 HB3 GLU A 42 16.112 5.109 10.541 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.589 4.664 12.737 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.034 6.321 12.597 1.00 0.00 H new ATOM 669 N GLY A 43 13.122 5.601 8.219 1.00 0.00 N ATOM 670 CA GLY A 43 12.844 4.900 7.009 1.00 0.00 C ATOM 671 C GLY A 43 13.104 3.452 7.301 1.00 0.00 C ATOM 672 O GLY A 43 14.252 3.024 7.356 1.00 0.00 O ATOM 0 H GLY A 43 12.312 5.765 8.817 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.811 5.056 6.696 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.480 5.255 6.198 1.00 0.00 H new ATOM 676 N LYS A 44 12.049 2.702 7.521 1.00 0.00 N ATOM 677 CA LYS A 44 12.172 1.336 8.042 1.00 0.00 C ATOM 678 C LYS A 44 12.703 0.350 6.995 1.00 0.00 C ATOM 679 O LYS A 44 12.997 -0.788 7.313 1.00 0.00 O ATOM 680 CB LYS A 44 10.817 0.845 8.572 1.00 0.00 C ATOM 681 CG LYS A 44 10.055 1.857 9.440 1.00 0.00 C ATOM 682 CD LYS A 44 10.798 2.306 10.707 1.00 0.00 C ATOM 683 CE LYS A 44 10.983 1.182 11.717 1.00 0.00 C ATOM 684 NZ LYS A 44 11.447 1.707 13.021 1.00 0.00 N ATOM 0 H LYS A 44 11.090 3.004 7.351 1.00 0.00 H new ATOM 0 HA LYS A 44 12.898 1.373 8.854 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.190 0.571 7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.979 -0.062 9.155 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.831 2.736 8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.101 1.419 9.731 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.775 2.701 10.428 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.246 3.121 11.176 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.041 0.650 11.850 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.705 0.461 11.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.597 0.916 13.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.340 2.223 12.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.730 2.351 13.411 1.00 0.00 H new ATOM 698 N ILE A 45 12.825 0.799 5.766 1.00 0.00 N ATOM 699 CA ILE A 45 13.267 -0.049 4.681 1.00 0.00 C ATOM 700 C ILE A 45 14.733 0.219 4.337 1.00 0.00 C ATOM 701 O ILE A 45 15.146 1.384 4.211 1.00 0.00 O ATOM 702 CB ILE A 45 12.418 0.184 3.396 1.00 0.00 C ATOM 703 CG1 ILE A 45 10.925 -0.121 3.633 1.00 0.00 C ATOM 704 CG2 ILE A 45 12.960 -0.640 2.227 1.00 0.00 C ATOM 705 CD1 ILE A 45 10.636 -1.558 4.023 1.00 0.00 C ATOM 0 H ILE A 45 12.621 1.760 5.490 1.00 0.00 H new ATOM 0 HA ILE A 45 13.145 -1.078 5.019 1.00 0.00 H new ATOM 0 HB ILE A 45 12.500 1.240 3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.551 0.538 4.417 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.369 0.116 2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.350 -0.460 1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.990 -0.349 2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.926 -1.699 2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.564 -1.686 4.171 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.976 -2.225 3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.161 -1.796 4.948 1.00 0.00 H new ATOM 717 N PRO A 46 15.553 -0.841 4.230 1.00 0.00 N ATOM 718 CA PRO A 46 16.892 -0.718 3.718 1.00 0.00 C ATOM 719 C PRO A 46 16.866 -0.267 2.250 1.00 0.00 C ATOM 720 O PRO A 46 16.144 -0.830 1.399 1.00 0.00 O ATOM 721 CB PRO A 46 17.514 -2.103 3.862 1.00 0.00 C ATOM 722 CG PRO A 46 16.401 -3.023 4.197 1.00 0.00 C ATOM 723 CD PRO A 46 15.242 -2.201 4.667 1.00 0.00 C ATOM 0 HA PRO A 46 17.470 0.031 4.259 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.006 -2.407 2.938 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.273 -2.109 4.644 1.00 0.00 H new ATOM 0 HG2 PRO A 46 16.120 -3.613 3.325 1.00 0.00 H new ATOM 0 HG3 PRO A 46 16.708 -3.725 4.972 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.305 -2.552 4.234 1.00 0.00 H new ATOM 0 HD3 PRO A 46 15.132 -2.254 5.750 1.00 0.00 H new ATOM 731 N TRP A 47 17.671 0.722 2.001 1.00 0.00 N ATOM 732 CA TRP A 47 17.791 1.502 0.769 1.00 0.00 C ATOM 733 C TRP A 47 17.777 0.663 -0.525 1.00 0.00 C ATOM 734 O TRP A 47 17.163 1.060 -1.514 1.00 0.00 O ATOM 735 CB TRP A 47 19.096 2.310 0.848 1.00 0.00 C ATOM 736 CG TRP A 47 19.271 3.058 2.150 1.00 0.00 C ATOM 737 CD1 TRP A 47 19.023 4.377 2.385 1.00 0.00 C ATOM 738 CD2 TRP A 47 19.723 2.506 3.407 1.00 0.00 C ATOM 739 NE1 TRP A 47 19.292 4.678 3.699 1.00 0.00 N ATOM 740 CE2 TRP A 47 19.720 3.544 4.344 1.00 0.00 C ATOM 741 CE3 TRP A 47 20.123 1.225 3.817 1.00 0.00 C ATOM 742 CZ2 TRP A 47 20.102 3.345 5.668 1.00 0.00 C ATOM 743 CZ3 TRP A 47 20.498 1.031 5.121 1.00 0.00 C ATOM 744 CH2 TRP A 47 20.484 2.083 6.034 1.00 0.00 C ATOM 0 H TRP A 47 18.328 1.047 2.710 1.00 0.00 H new ATOM 0 HA TRP A 47 16.911 2.142 0.706 1.00 0.00 H new ATOM 0 HB2 TRP A 47 19.940 1.634 0.712 1.00 0.00 H new ATOM 0 HB3 TRP A 47 19.122 3.023 0.024 1.00 0.00 H new ATOM 0 HD1 TRP A 47 18.668 5.082 1.648 1.00 0.00 H new ATOM 0 HE1 TRP A 47 19.190 5.598 4.127 1.00 0.00 H new ATOM 0 HE3 TRP A 47 20.135 0.404 3.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 20.097 4.157 6.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 20.809 0.049 5.445 1.00 0.00 H new ATOM 0 HH2 TRP A 47 20.782 1.898 7.056 1.00 0.00 H new ATOM 755 N GLY A 48 18.411 -0.483 -0.511 1.00 0.00 N ATOM 756 CA GLY A 48 18.515 -1.264 -1.718 1.00 0.00 C ATOM 757 C GLY A 48 17.694 -2.538 -1.708 1.00 0.00 C ATOM 758 O GLY A 48 17.609 -3.222 -2.727 1.00 0.00 O ATOM 0 H GLY A 48 18.857 -0.891 0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.202 -0.650 -2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.562 -1.521 -1.882 1.00 0.00 H new ATOM 762 N SER A 49 17.042 -2.836 -0.603 1.00 0.00 N ATOM 763 CA SER A 49 16.312 -4.086 -0.473 1.00 0.00 C ATOM 764 C SER A 49 15.088 -4.132 -1.409 1.00 0.00 C ATOM 765 O SER A 49 14.744 -5.179 -1.943 1.00 0.00 O ATOM 766 CB SER A 49 15.930 -4.319 0.997 1.00 0.00 C ATOM 767 OG SER A 49 15.315 -5.582 1.213 1.00 0.00 O ATOM 0 H SER A 49 17.001 -2.233 0.218 1.00 0.00 H new ATOM 0 HA SER A 49 16.962 -4.903 -0.786 1.00 0.00 H new ATOM 0 HB2 SER A 49 16.824 -4.245 1.616 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.252 -3.530 1.321 1.00 0.00 H new ATOM 0 HG SER A 49 15.094 -5.680 2.163 1.00 0.00 H new ATOM 773 N MET A 50 14.482 -2.981 -1.673 1.00 0.00 N ATOM 774 CA MET A 50 13.297 -2.946 -2.542 1.00 0.00 C ATOM 775 C MET A 50 13.677 -2.782 -4.015 1.00 0.00 C ATOM 776 O MET A 50 12.812 -2.678 -4.878 1.00 0.00 O ATOM 777 CB MET A 50 12.296 -1.858 -2.119 1.00 0.00 C ATOM 778 CG MET A 50 11.682 -2.067 -0.745 1.00 0.00 C ATOM 779 SD MET A 50 10.524 -0.761 -0.263 1.00 0.00 S ATOM 780 CE MET A 50 9.192 -1.003 -1.434 1.00 0.00 C ATOM 0 H MET A 50 14.778 -2.075 -1.311 1.00 0.00 H new ATOM 0 HA MET A 50 12.804 -3.911 -2.424 1.00 0.00 H new ATOM 0 HB2 MET A 50 12.801 -0.892 -2.134 1.00 0.00 H new ATOM 0 HB3 MET A 50 11.496 -1.811 -2.857 1.00 0.00 H new ATOM 0 HG2 MET A 50 11.163 -3.025 -0.730 1.00 0.00 H new ATOM 0 HG3 MET A 50 12.480 -2.125 -0.005 1.00 0.00 H new ATOM 0 HE1 MET A 50 8.410 -0.266 -1.252 1.00 0.00 H new ATOM 0 HE2 MET A 50 9.573 -0.885 -2.448 1.00 0.00 H new ATOM 0 HE3 MET A 50 8.781 -2.006 -1.315 1.00 0.00 H new ATOM 790 N GLU A 51 14.970 -2.778 -4.299 1.00 0.00 N ATOM 791 CA GLU A 51 15.450 -2.659 -5.675 1.00 0.00 C ATOM 792 C GLU A 51 15.282 -3.977 -6.400 1.00 0.00 C ATOM 793 O GLU A 51 14.849 -4.027 -7.546 1.00 0.00 O ATOM 794 CB GLU A 51 16.915 -2.274 -5.695 1.00 0.00 C ATOM 795 CG GLU A 51 17.208 -0.888 -5.167 1.00 0.00 C ATOM 796 CD GLU A 51 16.527 0.182 -5.964 1.00 0.00 C ATOM 797 OE1 GLU A 51 17.093 0.658 -6.946 1.00 0.00 O ATOM 798 OE2 GLU A 51 15.410 0.589 -5.598 1.00 0.00 O ATOM 0 H GLU A 51 15.708 -2.855 -3.599 1.00 0.00 H new ATOM 0 HA GLU A 51 14.865 -1.885 -6.172 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.476 -2.999 -5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.282 -2.344 -6.719 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.887 -0.823 -4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.284 -0.717 -5.180 1.00 0.00 H new ATOM 805 N LYS A 52 15.605 -5.024 -5.695 1.00 0.00 N ATOM 806 CA LYS A 52 15.564 -6.398 -6.196 1.00 0.00 C ATOM 807 C LYS A 52 14.177 -7.014 -5.987 1.00 0.00 C ATOM 808 O LYS A 52 13.998 -8.214 -6.145 1.00 0.00 O ATOM 809 CB LYS A 52 16.596 -7.226 -5.410 1.00 0.00 C ATOM 810 CG LYS A 52 16.326 -7.228 -3.904 1.00 0.00 C ATOM 811 CD LYS A 52 17.369 -7.984 -3.111 1.00 0.00 C ATOM 812 CE LYS A 52 17.037 -7.934 -1.627 1.00 0.00 C ATOM 813 NZ LYS A 52 18.050 -8.604 -0.791 1.00 0.00 N ATOM 0 H LYS A 52 15.915 -4.959 -4.725 1.00 0.00 H new ATOM 0 HA LYS A 52 15.787 -6.397 -7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.589 -8.252 -5.778 1.00 0.00 H new ATOM 0 HB3 LYS A 52 17.593 -6.828 -5.596 1.00 0.00 H new ATOM 0 HG2 LYS A 52 16.284 -6.199 -3.548 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.347 -7.670 -3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.412 -9.020 -3.447 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.354 -7.551 -3.286 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.946 -6.894 -1.315 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.067 -8.403 -1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.773 -8.539 0.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.121 -9.604 -1.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.972 -8.142 -0.925 1.00 0.00 H new ATOM 827 N ALA A 53 13.213 -6.192 -5.669 1.00 0.00 N ATOM 828 CA ALA A 53 11.907 -6.667 -5.297 1.00 0.00 C ATOM 829 C ALA A 53 10.844 -6.187 -6.268 1.00 0.00 C ATOM 830 O ALA A 53 10.881 -5.033 -6.725 1.00 0.00 O ATOM 831 CB ALA A 53 11.594 -6.186 -3.889 1.00 0.00 C ATOM 0 H ALA A 53 13.310 -5.177 -5.660 1.00 0.00 H new ATOM 0 HA ALA A 53 11.905 -7.757 -5.328 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.606 -6.540 -3.595 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.340 -6.577 -3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.611 -5.096 -3.864 1.00 0.00 H new ATOM 837 N GLY A 54 9.923 -7.070 -6.601 1.00 0.00 N ATOM 838 CA GLY A 54 8.817 -6.721 -7.437 1.00 0.00 C ATOM 839 C GLY A 54 7.576 -6.441 -6.610 1.00 0.00 C ATOM 840 O GLY A 54 7.672 -6.343 -5.384 1.00 0.00 O ATOM 0 H GLY A 54 9.930 -8.043 -6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.069 -5.842 -8.030 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.616 -7.532 -8.137 1.00 0.00 H new ATOM 844 N PRO A 55 6.398 -6.371 -7.249 1.00 0.00 N ATOM 845 CA PRO A 55 5.117 -6.053 -6.578 1.00 0.00 C ATOM 846 C PRO A 55 4.822 -6.971 -5.381 1.00 0.00 C ATOM 847 O PRO A 55 4.503 -6.503 -4.284 1.00 0.00 O ATOM 848 CB PRO A 55 4.068 -6.296 -7.667 1.00 0.00 C ATOM 849 CG PRO A 55 4.797 -6.228 -8.965 1.00 0.00 C ATOM 850 CD PRO A 55 6.224 -6.609 -8.689 1.00 0.00 C ATOM 0 HA PRO A 55 5.129 -5.040 -6.176 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.591 -7.267 -7.539 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.279 -5.545 -7.623 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.351 -6.905 -9.693 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.741 -5.224 -9.387 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.413 -7.652 -8.944 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.916 -6.007 -9.277 1.00 0.00 H new ATOM 858 N LEU A 56 4.996 -8.266 -5.595 1.00 0.00 N ATOM 859 CA LEU A 56 4.686 -9.276 -4.581 1.00 0.00 C ATOM 860 C LEU A 56 5.720 -9.206 -3.473 1.00 0.00 C ATOM 861 O LEU A 56 5.387 -9.243 -2.289 1.00 0.00 O ATOM 862 CB LEU A 56 4.637 -10.682 -5.262 1.00 0.00 C ATOM 863 CG LEU A 56 4.233 -11.927 -4.427 1.00 0.00 C ATOM 864 CD1 LEU A 56 3.961 -13.090 -5.360 1.00 0.00 C ATOM 865 CD2 LEU A 56 5.339 -12.346 -3.470 1.00 0.00 C ATOM 0 H LEU A 56 5.354 -8.650 -6.469 1.00 0.00 H new ATOM 0 HA LEU A 56 3.711 -9.091 -4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.944 -10.614 -6.101 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.625 -10.876 -5.679 1.00 0.00 H new ATOM 0 HG LEU A 56 3.346 -11.663 -3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.677 -13.966 -4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.150 -12.829 -6.040 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.860 -13.313 -5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.018 -13.220 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.237 -12.590 -4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.555 -11.528 -2.783 1.00 0.00 H new ATOM 877 N GLU A 57 6.963 -9.059 -3.863 1.00 0.00 N ATOM 878 CA GLU A 57 8.055 -9.017 -2.920 1.00 0.00 C ATOM 879 C GLU A 57 7.970 -7.776 -2.049 1.00 0.00 C ATOM 880 O GLU A 57 8.209 -7.849 -0.854 1.00 0.00 O ATOM 881 CB GLU A 57 9.378 -9.101 -3.644 1.00 0.00 C ATOM 882 CG GLU A 57 9.520 -10.371 -4.449 1.00 0.00 C ATOM 883 CD GLU A 57 10.790 -10.420 -5.227 1.00 0.00 C ATOM 884 OE1 GLU A 57 10.867 -9.756 -6.273 1.00 0.00 O ATOM 885 OE2 GLU A 57 11.716 -11.156 -4.826 1.00 0.00 O ATOM 0 H GLU A 57 7.246 -8.965 -4.839 1.00 0.00 H new ATOM 0 HA GLU A 57 7.980 -9.881 -2.260 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.480 -8.242 -4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.189 -9.042 -2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.477 -11.229 -3.778 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.676 -10.459 -5.133 1.00 0.00 H new ATOM 892 N MET A 58 7.583 -6.649 -2.644 1.00 0.00 N ATOM 893 CA MET A 58 7.404 -5.417 -1.888 1.00 0.00 C ATOM 894 C MET A 58 6.377 -5.603 -0.814 1.00 0.00 C ATOM 895 O MET A 58 6.610 -5.228 0.322 1.00 0.00 O ATOM 896 CB MET A 58 7.049 -4.226 -2.785 1.00 0.00 C ATOM 897 CG MET A 58 8.215 -3.770 -3.639 1.00 0.00 C ATOM 898 SD MET A 58 7.876 -2.290 -4.592 1.00 0.00 S ATOM 899 CE MET A 58 9.451 -2.089 -5.426 1.00 0.00 C ATOM 0 H MET A 58 7.389 -6.566 -3.642 1.00 0.00 H new ATOM 0 HA MET A 58 8.361 -5.184 -1.422 1.00 0.00 H new ATOM 0 HB2 MET A 58 6.215 -4.499 -3.432 1.00 0.00 H new ATOM 0 HB3 MET A 58 6.712 -3.396 -2.164 1.00 0.00 H new ATOM 0 HG2 MET A 58 9.076 -3.588 -2.995 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.491 -4.575 -4.320 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.741 -1.038 -5.408 1.00 0.00 H new ATOM 0 HE2 MET A 58 10.210 -2.683 -4.918 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.361 -2.423 -6.460 1.00 0.00 H new ATOM 909 N ALA A 59 5.280 -6.261 -1.158 1.00 0.00 N ATOM 910 CA ALA A 59 4.216 -6.542 -0.211 1.00 0.00 C ATOM 911 C ALA A 59 4.760 -7.274 1.016 1.00 0.00 C ATOM 912 O ALA A 59 4.443 -6.930 2.160 1.00 0.00 O ATOM 913 CB ALA A 59 3.131 -7.371 -0.880 1.00 0.00 C ATOM 0 H ALA A 59 5.104 -6.613 -2.099 1.00 0.00 H new ATOM 0 HA ALA A 59 3.788 -5.595 0.119 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.337 -7.577 -0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.721 -6.819 -1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.556 -8.311 -1.231 1.00 0.00 H new ATOM 919 N GLN A 60 5.638 -8.226 0.777 1.00 0.00 N ATOM 920 CA GLN A 60 6.201 -9.008 1.857 1.00 0.00 C ATOM 921 C GLN A 60 7.250 -8.205 2.637 1.00 0.00 C ATOM 922 O GLN A 60 7.470 -8.439 3.827 1.00 0.00 O ATOM 923 CB GLN A 60 6.788 -10.305 1.347 1.00 0.00 C ATOM 924 CG GLN A 60 5.856 -11.064 0.429 1.00 0.00 C ATOM 925 CD GLN A 60 6.337 -12.468 0.144 1.00 0.00 C ATOM 926 OE1 GLN A 60 7.545 -12.752 0.159 1.00 0.00 O ATOM 927 NE2 GLN A 60 5.417 -13.343 -0.161 1.00 0.00 N ATOM 0 H GLN A 60 5.976 -8.476 -0.152 1.00 0.00 H new ATOM 0 HA GLN A 60 5.389 -9.253 2.541 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.716 -10.092 0.816 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.045 -10.938 2.196 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.864 -11.108 0.880 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.755 -10.521 -0.511 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.434 -13.070 -0.162 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.681 -14.299 -0.398 1.00 0.00 H new ATOM 936 N LEU A 61 7.887 -7.266 1.977 1.00 0.00 N ATOM 937 CA LEU A 61 8.836 -6.387 2.639 1.00 0.00 C ATOM 938 C LEU A 61 8.130 -5.445 3.607 1.00 0.00 C ATOM 939 O LEU A 61 8.469 -5.413 4.795 1.00 0.00 O ATOM 940 CB LEU A 61 9.738 -5.627 1.641 1.00 0.00 C ATOM 941 CG LEU A 61 11.082 -6.303 1.271 1.00 0.00 C ATOM 942 CD1 LEU A 61 10.894 -7.686 0.678 1.00 0.00 C ATOM 943 CD2 LEU A 61 11.877 -5.429 0.323 1.00 0.00 C ATOM 0 H LEU A 61 7.768 -7.087 0.980 1.00 0.00 H new ATOM 0 HA LEU A 61 9.504 -7.020 3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.172 -5.467 0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.954 -4.643 2.057 1.00 0.00 H new ATOM 0 HG LEU A 61 11.639 -6.424 2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.867 -8.114 0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.385 -8.325 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.294 -7.614 -0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.817 -5.922 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.303 -5.265 -0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.084 -4.471 0.799 1.00 0.00 H new ATOM 955 N LEU A 62 7.107 -4.726 3.132 1.00 0.00 N ATOM 956 CA LEU A 62 6.362 -3.818 4.005 1.00 0.00 C ATOM 957 C LEU A 62 5.718 -4.577 5.159 1.00 0.00 C ATOM 958 O LEU A 62 5.693 -4.087 6.291 1.00 0.00 O ATOM 959 CB LEU A 62 5.280 -2.994 3.260 1.00 0.00 C ATOM 960 CG LEU A 62 5.727 -1.878 2.289 1.00 0.00 C ATOM 961 CD1 LEU A 62 6.626 -0.886 2.951 1.00 0.00 C ATOM 962 CD2 LEU A 62 6.363 -2.418 1.061 1.00 0.00 C ATOM 0 H LEU A 62 6.782 -4.755 2.166 1.00 0.00 H new ATOM 0 HA LEU A 62 7.097 -3.112 4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.663 -3.694 2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.637 -2.538 4.013 1.00 0.00 H new ATOM 0 HG LEU A 62 4.816 -1.360 1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.915 -0.120 2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.102 -0.420 3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.518 -1.393 3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.659 -1.594 0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.244 -3.000 1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.654 -3.057 0.535 1.00 0.00 H new ATOM 974 N ILE A 63 5.221 -5.778 4.879 1.00 0.00 N ATOM 975 CA ILE A 63 4.562 -6.593 5.893 1.00 0.00 C ATOM 976 C ILE A 63 5.571 -7.018 6.995 1.00 0.00 C ATOM 977 O ILE A 63 5.237 -7.051 8.172 1.00 0.00 O ATOM 978 CB ILE A 63 3.820 -7.837 5.230 1.00 0.00 C ATOM 979 CG1 ILE A 63 2.524 -8.189 5.968 1.00 0.00 C ATOM 980 CG2 ILE A 63 4.705 -9.080 5.126 1.00 0.00 C ATOM 981 CD1 ILE A 63 2.695 -8.766 7.362 1.00 0.00 C ATOM 0 H ILE A 63 5.263 -6.209 3.955 1.00 0.00 H new ATOM 0 HA ILE A 63 3.793 -5.993 6.380 1.00 0.00 H new ATOM 0 HB ILE A 63 3.577 -7.518 4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.913 -7.289 6.040 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.967 -8.905 5.364 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.141 -9.891 4.666 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.579 -8.854 4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.027 -9.382 6.123 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.716 -8.978 7.791 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.274 -9.688 7.306 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.219 -8.047 7.992 1.00 0.00 H new ATOM 993 N THR A 64 6.807 -7.258 6.608 1.00 0.00 N ATOM 994 CA THR A 64 7.809 -7.708 7.544 1.00 0.00 C ATOM 995 C THR A 64 8.360 -6.553 8.401 1.00 0.00 C ATOM 996 O THR A 64 8.601 -6.721 9.603 1.00 0.00 O ATOM 997 CB THR A 64 8.949 -8.452 6.809 1.00 0.00 C ATOM 998 OG1 THR A 64 8.390 -9.566 6.080 1.00 0.00 O ATOM 999 CG2 THR A 64 9.994 -8.979 7.785 1.00 0.00 C ATOM 0 H THR A 64 7.139 -7.148 5.650 1.00 0.00 H new ATOM 0 HA THR A 64 7.327 -8.407 8.227 1.00 0.00 H new ATOM 0 HB THR A 64 9.434 -7.748 6.133 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.241 -9.305 5.147 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.779 -9.496 7.233 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.427 -8.146 8.339 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.524 -9.673 8.482 1.00 0.00 H new ATOM 1007 N HIS A 65 8.530 -5.394 7.803 1.00 0.00 N ATOM 1008 CA HIS A 65 9.080 -4.263 8.535 1.00 0.00 C ATOM 1009 C HIS A 65 8.002 -3.554 9.339 1.00 0.00 C ATOM 1010 O HIS A 65 8.082 -3.456 10.565 1.00 0.00 O ATOM 1011 CB HIS A 65 9.810 -3.277 7.602 1.00 0.00 C ATOM 1012 CG HIS A 65 11.042 -3.841 6.942 1.00 0.00 C ATOM 1013 ND1 HIS A 65 11.166 -4.627 5.849 1.00 0.00 N flip ATOM 1014 CD2 HIS A 65 12.324 -3.604 7.373 1.00 0.00 C flip ATOM 1015 CE1 HIS A 65 12.513 -4.874 5.608 1.00 0.00 C flip ATOM 1016 NE2 HIS A 65 13.162 -4.228 6.560 1.00 0.00 N flip ATOM 0 H HIS A 65 8.301 -5.206 6.827 1.00 0.00 H new ATOM 0 HA HIS A 65 9.818 -4.659 9.232 1.00 0.00 H new ATOM 0 HB2 HIS A 65 9.117 -2.947 6.828 1.00 0.00 H new ATOM 0 HB3 HIS A 65 10.092 -2.394 8.175 1.00 0.00 H new ATOM 0 HD1 HIS A 65 10.392 -4.983 5.288 1.00 0.00 H new ATOM 0 HD2 HIS A 65 12.602 -3.009 8.230 1.00 0.00 H new ATOM 0 HE1 HIS A 65 12.938 -5.468 4.812 1.00 0.00 H new ATOM 1024 N PHE A 66 7.002 -3.068 8.653 1.00 0.00 N ATOM 1025 CA PHE A 66 5.906 -2.351 9.270 1.00 0.00 C ATOM 1026 C PHE A 66 4.955 -3.281 10.016 1.00 0.00 C ATOM 1027 O PHE A 66 4.903 -3.270 11.257 1.00 0.00 O ATOM 1028 CB PHE A 66 5.182 -1.526 8.209 1.00 0.00 C ATOM 1029 CG PHE A 66 6.082 -0.523 7.574 1.00 0.00 C ATOM 1030 CD1 PHE A 66 6.876 -0.881 6.508 1.00 0.00 C ATOM 1031 CD2 PHE A 66 6.163 0.765 8.062 1.00 0.00 C ATOM 1032 CE1 PHE A 66 7.728 0.014 5.935 1.00 0.00 C ATOM 1033 CE2 PHE A 66 7.021 1.671 7.489 1.00 0.00 C ATOM 1034 CZ PHE A 66 7.804 1.289 6.422 1.00 0.00 C ATOM 0 H PHE A 66 6.920 -3.157 7.640 1.00 0.00 H new ATOM 0 HA PHE A 66 6.313 -1.677 10.024 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.782 -2.191 7.443 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.333 -1.015 8.663 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.823 -1.887 6.120 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.548 1.062 8.899 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.342 -0.283 5.098 1.00 0.00 H new ATOM 0 HE2 PHE A 66 7.082 2.679 7.873 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.480 1.999 5.969 1.00 0.00 H new ATOM 1044 N GLY A 67 4.249 -4.097 9.296 1.00 0.00 N ATOM 1045 CA GLY A 67 3.306 -4.992 9.907 1.00 0.00 C ATOM 1046 C GLY A 67 2.198 -5.304 8.954 1.00 0.00 C ATOM 1047 O GLY A 67 2.158 -4.713 7.889 1.00 0.00 O ATOM 0 H GLY A 67 4.306 -4.164 8.280 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.808 -5.912 10.206 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.900 -4.541 10.813 1.00 0.00 H new ATOM 1051 N PRO A 68 1.272 -6.197 9.312 1.00 0.00 N ATOM 1052 CA PRO A 68 0.182 -6.631 8.415 1.00 0.00 C ATOM 1053 C PRO A 68 -0.723 -5.491 7.962 1.00 0.00 C ATOM 1054 O PRO A 68 -0.934 -5.280 6.763 1.00 0.00 O ATOM 1055 CB PRO A 68 -0.610 -7.649 9.258 1.00 0.00 C ATOM 1056 CG PRO A 68 -0.192 -7.408 10.674 1.00 0.00 C ATOM 1057 CD PRO A 68 1.211 -6.875 10.619 1.00 0.00 C ATOM 0 HA PRO A 68 0.582 -7.043 7.488 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.684 -7.508 9.137 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.386 -8.671 8.951 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.859 -6.696 11.160 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.234 -8.330 11.253 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.410 -6.185 11.439 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.947 -7.676 10.690 1.00 0.00 H new ATOM 1065 N GLU A 69 -1.211 -4.738 8.910 1.00 0.00 N ATOM 1066 CA GLU A 69 -2.146 -3.674 8.631 1.00 0.00 C ATOM 1067 C GLU A 69 -1.379 -2.428 8.222 1.00 0.00 C ATOM 1068 O GLU A 69 -1.826 -1.642 7.382 1.00 0.00 O ATOM 1069 CB GLU A 69 -2.978 -3.391 9.884 1.00 0.00 C ATOM 1070 CG GLU A 69 -3.655 -4.626 10.470 1.00 0.00 C ATOM 1071 CD GLU A 69 -4.350 -4.337 11.774 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -3.659 -4.175 12.811 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -5.597 -4.230 11.795 1.00 0.00 O ATOM 0 H GLU A 69 -0.974 -4.842 9.897 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.812 -3.967 7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.334 -2.948 10.643 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.741 -2.651 9.642 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.379 -5.014 9.754 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.910 -5.406 10.624 1.00 0.00 H new ATOM 1080 N GLU A 70 -0.193 -2.297 8.789 1.00 0.00 N ATOM 1081 CA GLU A 70 0.655 -1.150 8.580 1.00 0.00 C ATOM 1082 C GLU A 70 1.125 -1.110 7.127 1.00 0.00 C ATOM 1083 O GLU A 70 1.050 -0.081 6.478 1.00 0.00 O ATOM 1084 CB GLU A 70 1.848 -1.216 9.527 1.00 0.00 C ATOM 1085 CG GLU A 70 2.534 0.113 9.746 1.00 0.00 C ATOM 1086 CD GLU A 70 1.607 1.105 10.381 1.00 0.00 C ATOM 1087 OE1 GLU A 70 1.473 1.105 11.622 1.00 0.00 O ATOM 1088 OE2 GLU A 70 0.971 1.883 9.668 1.00 0.00 O ATOM 0 H GLU A 70 0.208 -2.996 9.414 1.00 0.00 H new ATOM 0 HA GLU A 70 0.093 -0.240 8.787 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.514 -1.604 10.489 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.574 -1.927 9.132 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.410 -0.027 10.380 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.890 0.503 8.792 1.00 0.00 H new ATOM 1095 N ALA A 71 1.591 -2.256 6.632 1.00 0.00 N ATOM 1096 CA ALA A 71 2.016 -2.420 5.233 1.00 0.00 C ATOM 1097 C ALA A 71 0.936 -1.965 4.274 1.00 0.00 C ATOM 1098 O ALA A 71 1.209 -1.244 3.309 1.00 0.00 O ATOM 1099 CB ALA A 71 2.315 -3.869 4.967 1.00 0.00 C ATOM 0 H ALA A 71 1.687 -3.105 7.190 1.00 0.00 H new ATOM 0 HA ALA A 71 2.905 -1.809 5.077 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.630 -3.991 3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.112 -4.204 5.630 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.420 -4.464 5.147 1.00 0.00 H new ATOM 1105 N TRP A 72 -0.288 -2.372 4.557 1.00 0.00 N ATOM 1106 CA TRP A 72 -1.414 -2.022 3.732 1.00 0.00 C ATOM 1107 C TRP A 72 -1.662 -0.520 3.760 1.00 0.00 C ATOM 1108 O TRP A 72 -1.841 0.115 2.703 1.00 0.00 O ATOM 1109 CB TRP A 72 -2.665 -2.826 4.136 1.00 0.00 C ATOM 1110 CG TRP A 72 -3.924 -2.387 3.441 1.00 0.00 C ATOM 1111 CD1 TRP A 72 -5.108 -2.083 4.031 1.00 0.00 C ATOM 1112 CD2 TRP A 72 -4.106 -2.156 2.034 1.00 0.00 C ATOM 1113 NE1 TRP A 72 -6.019 -1.694 3.083 1.00 0.00 N ATOM 1114 CE2 TRP A 72 -5.424 -1.731 1.856 1.00 0.00 C ATOM 1115 CE3 TRP A 72 -3.282 -2.270 0.916 1.00 0.00 C ATOM 1116 CZ2 TRP A 72 -5.934 -1.418 0.619 1.00 0.00 C ATOM 1117 CZ3 TRP A 72 -3.796 -1.960 -0.325 1.00 0.00 C ATOM 1118 CH2 TRP A 72 -5.114 -1.537 -0.462 1.00 0.00 C ATOM 0 H TRP A 72 -0.522 -2.952 5.363 1.00 0.00 H new ATOM 0 HA TRP A 72 -1.182 -2.289 2.701 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.492 -3.880 3.921 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.808 -2.740 5.213 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.304 -2.139 5.092 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -6.985 -1.421 3.266 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.258 -2.596 1.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -6.956 -1.087 0.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.169 -2.046 -1.200 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -5.494 -1.298 -1.444 1.00 0.00 H new ATOM 1129 N ARG A 73 -1.622 0.053 4.946 1.00 0.00 N ATOM 1130 CA ARG A 73 -1.818 1.473 5.095 1.00 0.00 C ATOM 1131 C ARG A 73 -0.719 2.250 4.366 1.00 0.00 C ATOM 1132 O ARG A 73 -1.009 3.211 3.651 1.00 0.00 O ATOM 1133 CB ARG A 73 -1.943 1.875 6.574 1.00 0.00 C ATOM 1134 CG ARG A 73 -2.075 3.375 6.802 1.00 0.00 C ATOM 1135 CD ARG A 73 -2.507 3.708 8.223 1.00 0.00 C ATOM 1136 NE ARG A 73 -1.579 3.220 9.260 1.00 0.00 N ATOM 1137 CZ ARG A 73 -1.748 3.397 10.585 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -2.775 4.100 11.059 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -0.880 2.885 11.420 1.00 0.00 N ATOM 0 H ARG A 73 -1.455 -0.447 5.819 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.766 1.738 4.626 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.812 1.375 7.003 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.068 1.512 7.113 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.120 3.857 6.593 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.800 3.785 6.099 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.606 4.789 8.318 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.494 3.280 8.402 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.750 2.712 8.952 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.449 4.515 10.416 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.887 4.224 12.065 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.083 2.356 11.066 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.001 3.015 12.424 1.00 0.00 H new ATOM 1153 N LEU A 74 0.519 1.789 4.514 1.00 0.00 N ATOM 1154 CA LEU A 74 1.669 2.362 3.822 1.00 0.00 C ATOM 1155 C LEU A 74 1.446 2.382 2.320 1.00 0.00 C ATOM 1156 O LEU A 74 1.616 3.409 1.692 1.00 0.00 O ATOM 1157 CB LEU A 74 2.969 1.590 4.150 1.00 0.00 C ATOM 1158 CG LEU A 74 3.875 2.124 5.292 1.00 0.00 C ATOM 1159 CD1 LEU A 74 4.563 3.425 4.892 1.00 0.00 C ATOM 1160 CD2 LEU A 74 3.093 2.330 6.574 1.00 0.00 C ATOM 0 H LEU A 74 0.754 1.003 5.120 1.00 0.00 H new ATOM 0 HA LEU A 74 1.779 3.387 4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.693 0.565 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.569 1.549 3.241 1.00 0.00 H new ATOM 0 HG LEU A 74 4.637 1.366 5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.190 3.773 5.713 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.181 3.254 4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.810 4.180 4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.760 2.704 7.351 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.295 3.052 6.401 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.661 1.382 6.893 1.00 0.00 H new ATOM 1172 N ALA A 75 1.010 1.269 1.758 1.00 0.00 N ATOM 1173 CA ALA A 75 0.820 1.198 0.322 1.00 0.00 C ATOM 1174 C ALA A 75 -0.343 2.036 -0.154 1.00 0.00 C ATOM 1175 O ALA A 75 -0.157 2.875 -1.028 1.00 0.00 O ATOM 1176 CB ALA A 75 0.702 -0.223 -0.172 1.00 0.00 C ATOM 0 H ALA A 75 0.784 0.414 2.266 1.00 0.00 H new ATOM 0 HA ALA A 75 1.723 1.623 -0.116 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.561 -0.222 -1.253 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.612 -0.771 0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.152 -0.704 0.305 1.00 0.00 H new ATOM 1182 N LEU A 76 -1.525 1.868 0.451 1.00 0.00 N ATOM 1183 CA LEU A 76 -2.717 2.582 -0.024 1.00 0.00 C ATOM 1184 C LEU A 76 -2.516 4.090 0.065 1.00 0.00 C ATOM 1185 O LEU A 76 -2.799 4.819 -0.878 1.00 0.00 O ATOM 1186 CB LEU A 76 -4.027 2.103 0.690 1.00 0.00 C ATOM 1187 CG LEU A 76 -4.283 2.545 2.150 1.00 0.00 C ATOM 1188 CD1 LEU A 76 -4.948 3.917 2.220 1.00 0.00 C ATOM 1189 CD2 LEU A 76 -5.122 1.533 2.886 1.00 0.00 C ATOM 0 H LEU A 76 -1.681 1.258 1.253 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.852 2.334 -1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.872 2.440 0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.035 1.013 0.669 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.308 2.614 2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.110 4.190 3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.304 4.658 1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.906 3.884 1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.285 1.871 3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.083 1.422 2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.606 0.573 2.899 1.00 0.00 H new ATOM 1201 N SER A 77 -1.945 4.531 1.161 1.00 0.00 N ATOM 1202 CA SER A 77 -1.706 5.926 1.387 1.00 0.00 C ATOM 1203 C SER A 77 -0.538 6.465 0.549 1.00 0.00 C ATOM 1204 O SER A 77 -0.416 7.659 0.375 1.00 0.00 O ATOM 1205 CB SER A 77 -1.525 6.185 2.883 1.00 0.00 C ATOM 1206 OG SER A 77 -2.774 6.127 3.578 1.00 0.00 O ATOM 0 H SER A 77 -1.634 3.925 1.920 1.00 0.00 H new ATOM 0 HA SER A 77 -2.581 6.482 1.049 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.840 5.448 3.301 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.069 7.164 3.032 1.00 0.00 H new ATOM 0 HG SER A 77 -2.626 6.295 4.532 1.00 0.00 H new ATOM 1212 N THR A 78 0.288 5.592 0.011 1.00 0.00 N ATOM 1213 CA THR A 78 1.355 6.036 -0.853 1.00 0.00 C ATOM 1214 C THR A 78 0.872 6.076 -2.312 1.00 0.00 C ATOM 1215 O THR A 78 1.388 6.858 -3.123 1.00 0.00 O ATOM 1216 CB THR A 78 2.635 5.179 -0.679 1.00 0.00 C ATOM 1217 OG1 THR A 78 3.083 5.302 0.672 1.00 0.00 O ATOM 1218 CG2 THR A 78 3.753 5.637 -1.600 1.00 0.00 C ATOM 0 H THR A 78 0.241 4.583 0.156 1.00 0.00 H new ATOM 0 HA THR A 78 1.632 7.050 -0.564 1.00 0.00 H new ATOM 0 HB THR A 78 2.389 4.147 -0.928 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.800 4.515 1.183 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.631 5.010 -1.446 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.427 5.556 -2.637 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.005 6.674 -1.379 1.00 0.00 H new ATOM 1226 N PHE A 79 -0.165 5.283 -2.621 1.00 0.00 N ATOM 1227 CA PHE A 79 -0.756 5.266 -3.959 1.00 0.00 C ATOM 1228 C PHE A 79 -1.163 6.683 -4.368 1.00 0.00 C ATOM 1229 O PHE A 79 -0.762 7.175 -5.408 1.00 0.00 O ATOM 1230 CB PHE A 79 -1.995 4.340 -4.041 1.00 0.00 C ATOM 1231 CG PHE A 79 -1.754 2.869 -3.842 1.00 0.00 C ATOM 1232 CD1 PHE A 79 -0.524 2.292 -4.104 1.00 0.00 C ATOM 1233 CD2 PHE A 79 -2.778 2.060 -3.375 1.00 0.00 C ATOM 1234 CE1 PHE A 79 -0.325 0.943 -3.904 1.00 0.00 C ATOM 1235 CE2 PHE A 79 -2.582 0.712 -3.175 1.00 0.00 C ATOM 1236 CZ PHE A 79 -1.352 0.152 -3.439 1.00 0.00 C ATOM 0 H PHE A 79 -0.609 4.646 -1.959 1.00 0.00 H new ATOM 0 HA PHE A 79 0.002 4.877 -4.639 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.717 4.671 -3.294 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.460 4.480 -5.017 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.288 2.904 -4.469 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.744 2.494 -3.165 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.640 0.505 -4.113 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.391 0.095 -2.812 1.00 0.00 H new ATOM 0 HZ PHE A 79 -1.193 -0.905 -3.282 1.00 0.00 H new ATOM 1246 N GLU A 80 -1.910 7.351 -3.510 1.00 0.00 N ATOM 1247 CA GLU A 80 -2.379 8.715 -3.782 1.00 0.00 C ATOM 1248 C GLU A 80 -1.206 9.706 -3.926 1.00 0.00 C ATOM 1249 O GLU A 80 -1.291 10.679 -4.681 1.00 0.00 O ATOM 1250 CB GLU A 80 -3.318 9.200 -2.680 1.00 0.00 C ATOM 1251 CG GLU A 80 -2.682 9.141 -1.320 1.00 0.00 C ATOM 1252 CD GLU A 80 -3.369 9.966 -0.276 1.00 0.00 C ATOM 1253 OE1 GLU A 80 -4.171 10.836 -0.606 1.00 0.00 O ATOM 1254 OE2 GLU A 80 -3.051 9.805 0.908 1.00 0.00 O ATOM 0 H GLU A 80 -2.212 6.977 -2.610 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.920 8.679 -4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.623 10.225 -2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.222 8.591 -2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.660 8.103 -0.988 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.647 9.471 -1.403 1.00 0.00 H new ATOM 1261 N ARG A 81 -0.096 9.420 -3.243 1.00 0.00 N ATOM 1262 CA ARG A 81 1.073 10.304 -3.231 1.00 0.00 C ATOM 1263 C ARG A 81 1.749 10.263 -4.571 1.00 0.00 C ATOM 1264 O ARG A 81 2.198 11.275 -5.087 1.00 0.00 O ATOM 1265 CB ARG A 81 2.060 9.879 -2.146 1.00 0.00 C ATOM 1266 CG ARG A 81 1.416 9.728 -0.794 1.00 0.00 C ATOM 1267 CD ARG A 81 0.859 11.024 -0.249 1.00 0.00 C ATOM 1268 NE ARG A 81 -0.207 10.761 0.727 1.00 0.00 N ATOM 1269 CZ ARG A 81 -0.209 11.073 2.015 1.00 0.00 C ATOM 1270 NH1 ARG A 81 0.897 11.483 2.620 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -1.325 10.902 2.708 1.00 0.00 N ATOM 0 H ARG A 81 0.019 8.574 -2.685 1.00 0.00 H new ATOM 0 HA ARG A 81 0.739 11.320 -3.018 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.520 8.933 -2.431 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.860 10.616 -2.081 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.612 8.995 -0.862 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.150 9.332 -0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.656 11.599 0.222 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.469 11.630 -1.067 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.038 10.286 0.374 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.767 11.562 2.093 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.878 11.719 3.612 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.160 10.537 2.249 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.350 11.135 3.701 1.00 0.00 H new ATOM 1285 N ILE A 82 1.758 9.088 -5.164 1.00 0.00 N ATOM 1286 CA ILE A 82 2.364 8.892 -6.464 1.00 0.00 C ATOM 1287 C ILE A 82 1.330 9.156 -7.568 1.00 0.00 C ATOM 1288 O ILE A 82 1.525 8.812 -8.731 1.00 0.00 O ATOM 1289 CB ILE A 82 2.998 7.472 -6.593 1.00 0.00 C ATOM 1290 CG1 ILE A 82 1.926 6.368 -6.580 1.00 0.00 C ATOM 1291 CG2 ILE A 82 3.978 7.262 -5.437 1.00 0.00 C ATOM 1292 CD1 ILE A 82 2.469 4.966 -6.760 1.00 0.00 C ATOM 0 H ILE A 82 1.348 8.246 -4.761 1.00 0.00 H new ATOM 0 HA ILE A 82 3.178 9.608 -6.578 1.00 0.00 H new ATOM 0 HB ILE A 82 3.520 7.410 -7.548 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.384 6.416 -5.636 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.205 6.570 -7.372 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.428 6.272 -5.516 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.760 8.020 -5.480 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.446 7.344 -4.489 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.646 4.252 -6.738 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.985 4.896 -7.717 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.167 4.740 -5.954 1.00 0.00 H new ATOM 1304 N ASN A 83 0.228 9.805 -7.157 1.00 0.00 N ATOM 1305 CA ASN A 83 -0.857 10.259 -8.023 1.00 0.00 C ATOM 1306 C ASN A 83 -1.716 9.133 -8.528 1.00 0.00 C ATOM 1307 O ASN A 83 -2.362 9.237 -9.571 1.00 0.00 O ATOM 1308 CB ASN A 83 -0.354 11.178 -9.145 1.00 0.00 C ATOM 1309 CG ASN A 83 0.235 12.495 -8.630 1.00 0.00 C ATOM 1310 OD1 ASN A 83 -0.328 13.049 -7.569 1.00 0.00 O flip ATOM 1311 ND2 ASN A 83 1.183 13.027 -9.203 1.00 0.00 N flip ATOM 0 H ASN A 83 0.069 10.033 -6.176 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.514 10.866 -7.400 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.404 10.651 -9.725 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -1.179 11.397 -9.823 1.00 0.00 H new ATOM 0 HD21 ASN A 83 1.601 12.581 -10.019 1.00 0.00 H new ATOM 0 HD22 ASN A 83 1.552 13.915 -8.862 1.00 0.00 H new ATOM 1318 N ARG A 84 -1.780 8.094 -7.760 1.00 0.00 N ATOM 1319 CA ARG A 84 -2.628 6.980 -8.035 1.00 0.00 C ATOM 1320 C ARG A 84 -3.766 6.961 -7.013 1.00 0.00 C ATOM 1321 O ARG A 84 -3.702 6.295 -5.991 1.00 0.00 O ATOM 1322 CB ARG A 84 -1.817 5.682 -8.010 1.00 0.00 C ATOM 1323 CG ARG A 84 -2.637 4.414 -8.202 1.00 0.00 C ATOM 1324 CD ARG A 84 -3.452 4.472 -9.469 1.00 0.00 C ATOM 1325 NE ARG A 84 -2.609 4.528 -10.665 1.00 0.00 N ATOM 1326 CZ ARG A 84 -3.048 4.442 -11.925 1.00 0.00 C ATOM 1327 NH1 ARG A 84 -4.325 4.624 -12.206 1.00 0.00 N ATOM 1328 NH2 ARG A 84 -2.181 4.289 -12.903 1.00 0.00 N ATOM 0 H ARG A 84 -1.232 7.994 -6.905 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.060 7.070 -9.032 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.058 5.729 -8.791 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.291 5.617 -7.058 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.972 3.551 -8.234 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.299 4.274 -7.348 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.099 3.597 -9.523 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.101 5.347 -9.442 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.605 4.642 -10.526 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.987 4.832 -11.459 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.650 4.556 -13.171 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.183 4.237 -12.697 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.507 4.222 -13.867 1.00 0.00 H new ATOM 1342 N LYS A 85 -4.783 7.705 -7.290 1.00 0.00 N ATOM 1343 CA LYS A 85 -5.864 7.878 -6.364 1.00 0.00 C ATOM 1344 C LYS A 85 -6.928 6.826 -6.605 1.00 0.00 C ATOM 1345 O LYS A 85 -7.691 6.497 -5.712 1.00 0.00 O ATOM 1346 CB LYS A 85 -6.419 9.306 -6.491 1.00 0.00 C ATOM 1347 CG LYS A 85 -7.498 9.655 -5.492 1.00 0.00 C ATOM 1348 CD LYS A 85 -8.835 9.955 -6.150 1.00 0.00 C ATOM 1349 CE LYS A 85 -9.852 10.397 -5.107 1.00 0.00 C ATOM 1350 NZ LYS A 85 -11.203 10.596 -5.669 1.00 0.00 N ATOM 0 H LYS A 85 -4.894 8.215 -8.167 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.508 7.747 -5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.596 10.012 -6.379 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.817 9.438 -7.497 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.620 8.828 -4.792 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.182 10.521 -4.910 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.711 10.736 -6.900 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.199 9.069 -6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.900 9.650 -4.315 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.514 11.327 -4.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.656 11.409 -5.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.131 10.776 -6.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.775 9.743 -5.507 1.00 0.00 H new ATOM 1364 N ASP A 86 -6.915 6.259 -7.806 1.00 0.00 N ATOM 1365 CA ASP A 86 -7.876 5.227 -8.221 1.00 0.00 C ATOM 1366 C ASP A 86 -7.833 4.078 -7.242 1.00 0.00 C ATOM 1367 O ASP A 86 -8.779 3.833 -6.509 1.00 0.00 O ATOM 1368 CB ASP A 86 -7.513 4.641 -9.592 1.00 0.00 C ATOM 1369 CG ASP A 86 -7.131 5.654 -10.620 1.00 0.00 C ATOM 1370 OD1 ASP A 86 -5.961 6.100 -10.592 1.00 0.00 O ATOM 1371 OD2 ASP A 86 -7.937 5.972 -11.505 1.00 0.00 O ATOM 0 H ASP A 86 -6.236 6.499 -8.528 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.858 5.698 -8.261 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.687 3.941 -9.466 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.362 4.068 -9.964 1.00 0.00 H new ATOM 1376 N LEU A 87 -6.667 3.442 -7.172 1.00 0.00 N ATOM 1377 CA LEU A 87 -6.462 2.232 -6.347 1.00 0.00 C ATOM 1378 C LEU A 87 -6.555 2.564 -4.868 1.00 0.00 C ATOM 1379 O LEU A 87 -6.816 1.701 -4.046 1.00 0.00 O ATOM 1380 CB LEU A 87 -5.099 1.598 -6.637 1.00 0.00 C ATOM 1381 CG LEU A 87 -4.842 1.136 -8.072 1.00 0.00 C ATOM 1382 CD1 LEU A 87 -3.413 0.642 -8.208 1.00 0.00 C ATOM 1383 CD2 LEU A 87 -5.820 0.041 -8.479 1.00 0.00 C ATOM 0 H LEU A 87 -5.834 3.741 -7.679 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.248 1.523 -6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.326 2.318 -6.369 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.977 0.739 -5.977 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.992 1.986 -8.738 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.237 0.315 -9.233 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.724 1.450 -7.962 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.251 -0.194 -7.527 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.614 -0.268 -9.504 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.707 -0.814 -7.812 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.840 0.421 -8.413 1.00 0.00 H new ATOM 1395 N TRP A 88 -6.346 3.820 -4.561 1.00 0.00 N ATOM 1396 CA TRP A 88 -6.445 4.330 -3.222 1.00 0.00 C ATOM 1397 C TRP A 88 -7.905 4.231 -2.744 1.00 0.00 C ATOM 1398 O TRP A 88 -8.185 3.734 -1.650 1.00 0.00 O ATOM 1399 CB TRP A 88 -5.943 5.771 -3.232 1.00 0.00 C ATOM 1400 CG TRP A 88 -6.120 6.507 -1.948 1.00 0.00 C ATOM 1401 CD1 TRP A 88 -5.366 6.388 -0.841 1.00 0.00 C ATOM 1402 CD2 TRP A 88 -7.117 7.482 -1.651 1.00 0.00 C ATOM 1403 NE1 TRP A 88 -5.816 7.232 0.137 1.00 0.00 N ATOM 1404 CE2 TRP A 88 -6.893 7.917 -0.337 1.00 0.00 C ATOM 1405 CE3 TRP A 88 -8.172 8.029 -2.368 1.00 0.00 C ATOM 1406 CZ2 TRP A 88 -7.686 8.876 0.272 1.00 0.00 C ATOM 1407 CZ3 TRP A 88 -8.958 8.979 -1.769 1.00 0.00 C ATOM 1408 CH2 TRP A 88 -8.714 9.396 -0.462 1.00 0.00 C ATOM 0 H TRP A 88 -6.097 4.529 -5.251 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.837 3.750 -2.528 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -4.884 5.769 -3.490 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.462 6.316 -4.021 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.524 5.720 -0.738 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.411 7.332 1.068 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -8.370 7.711 -3.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.499 9.199 1.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -9.780 9.412 -2.319 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -9.352 10.147 -0.020 1.00 0.00 H new ATOM 1419 N GLU A 89 -8.823 4.655 -3.611 1.00 0.00 N ATOM 1420 CA GLU A 89 -10.275 4.582 -3.360 1.00 0.00 C ATOM 1421 C GLU A 89 -10.727 3.126 -3.299 1.00 0.00 C ATOM 1422 O GLU A 89 -11.720 2.784 -2.669 1.00 0.00 O ATOM 1423 CB GLU A 89 -11.041 5.253 -4.490 1.00 0.00 C ATOM 1424 CG GLU A 89 -10.628 6.664 -4.786 1.00 0.00 C ATOM 1425 CD GLU A 89 -11.453 7.266 -5.877 1.00 0.00 C ATOM 1426 OE1 GLU A 89 -11.298 6.884 -7.041 1.00 0.00 O ATOM 1427 OE2 GLU A 89 -12.273 8.150 -5.580 1.00 0.00 O ATOM 0 H GLU A 89 -8.586 5.063 -4.515 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.475 5.085 -2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.919 4.657 -5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.103 5.245 -4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.723 7.268 -3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.577 6.683 -5.073 1.00 0.00 H new ATOM 1434 N ARG A 90 -9.994 2.289 -3.989 1.00 0.00 N ATOM 1435 CA ARG A 90 -10.255 0.851 -4.045 1.00 0.00 C ATOM 1436 C ARG A 90 -9.718 0.157 -2.788 1.00 0.00 C ATOM 1437 O ARG A 90 -9.999 -1.021 -2.539 1.00 0.00 O ATOM 1438 CB ARG A 90 -9.596 0.238 -5.294 1.00 0.00 C ATOM 1439 CG ARG A 90 -10.340 0.378 -6.637 1.00 0.00 C ATOM 1440 CD ARG A 90 -10.817 1.788 -6.948 1.00 0.00 C ATOM 1441 NE ARG A 90 -11.314 1.924 -8.323 1.00 0.00 N ATOM 1442 CZ ARG A 90 -11.590 3.089 -8.939 1.00 0.00 C ATOM 1443 NH1 ARG A 90 -11.448 4.245 -8.290 1.00 0.00 N ATOM 1444 NH2 ARG A 90 -11.986 3.094 -10.206 1.00 0.00 N ATOM 0 H ARG A 90 -9.186 2.579 -4.539 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.333 0.702 -4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.610 0.688 -5.408 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.442 -0.824 -5.105 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.682 0.045 -7.439 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.201 -0.291 -6.633 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.608 2.062 -6.250 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.997 2.488 -6.791 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.462 1.066 -8.855 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.129 4.250 -7.321 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.659 5.124 -8.762 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.082 2.215 -10.714 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.195 3.977 -10.672 1.00 0.00 H new ATOM 1458 N GLY A 91 -8.946 0.891 -2.015 1.00 0.00 N ATOM 1459 CA GLY A 91 -8.366 0.357 -0.824 1.00 0.00 C ATOM 1460 C GLY A 91 -9.117 0.780 0.406 1.00 0.00 C ATOM 1461 O GLY A 91 -10.185 0.219 0.714 1.00 0.00 O ATOM 0 H GLY A 91 -8.711 1.866 -2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.352 -0.731 -0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.329 0.685 -0.747 1.00 0.00 H new