USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 717 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 GLN : amide:sc= -0.419 K(o=-1.1,f=0.58) USER MOD Set 1.2: A 97 GLN : amide:sc= -0.693 K(o=-1.1,f=2.1) USER MOD Set 2.1: A 32 THR OG1 : rot -98:sc= 0.782 USER MOD Set 2.2: A 34 HIS : no HE2:sc= -0.435 K(o=0.35,f=-0.8) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -172:sc= -0.595 USER MOD Single : A 38 GLN : amide:sc= -0.125 K(o=-0.13,f=-1.3!) USER MOD Single : A 50 GLN : amide:sc= -0.0246 X(o=-0.025,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 57 THR OG1 : rot 23:sc= 1.1 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -7:sc= 1.08 USER MOD Single : A 71 THR OG1 : rot -116:sc= -2.28 USER MOD Single : A 74 SER OG : rot 180:sc= -0.092 USER MOD Single : A 78 MET CE :methyl -116:sc= -8.7! (180deg=-13.1!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -109:sc= -1.7! (180deg=-4.46!) USER MOD Single : A 83 SER OG : rot 77:sc= 0.114 USER MOD Single : A 84 TYR OH : rot 153:sc= 0.438 USER MOD Single : A 85 TYR OH : rot -52:sc= 0.924 USER MOD Single : A 86 TYR OH : rot -4:sc= -4.06! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 135:sc= -0.193 (180deg=-2.01!) USER MOD Single : A 93 GLN : amide:sc= -0.184 K(o=-0.18,f=-0.97) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN : amide:sc= -0.311 K(o=-0.31,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 200 N LEU A 17 0.981 7.763 -3.393 1.00 0.00 N ATOM 201 CA LEU A 17 1.193 6.325 -3.372 1.00 0.00 C ATOM 202 C LEU A 17 0.044 5.634 -4.109 1.00 0.00 C ATOM 203 O LEU A 17 -1.117 6.008 -3.946 1.00 0.00 O ATOM 204 CB LEU A 17 1.386 5.834 -1.936 1.00 0.00 C ATOM 205 CG LEU A 17 1.116 4.347 -1.694 1.00 0.00 C ATOM 206 CD1 LEU A 17 2.333 3.500 -2.070 1.00 0.00 C ATOM 207 CD2 LEU A 17 0.668 4.099 -0.252 1.00 0.00 C ATOM 0 HA LEU A 17 2.111 6.067 -3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.410 6.051 -1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.732 6.413 -1.284 1.00 0.00 H new ATOM 0 HG LEU A 17 0.297 4.039 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.114 2.448 -1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.566 3.645 -3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.188 3.802 -1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.483 3.035 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.449 4.428 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.247 4.657 -0.054 1.00 0.00 H new ATOM 219 N VAL A 18 0.407 4.638 -4.903 1.00 0.00 N ATOM 220 CA VAL A 18 -0.579 3.891 -5.666 1.00 0.00 C ATOM 221 C VAL A 18 -0.455 2.403 -5.332 1.00 0.00 C ATOM 222 O VAL A 18 0.525 1.759 -5.704 1.00 0.00 O ATOM 223 CB VAL A 18 -0.417 4.184 -7.159 1.00 0.00 C ATOM 224 CG1 VAL A 18 -1.412 3.370 -7.988 1.00 0.00 C ATOM 225 CG2 VAL A 18 -0.562 5.681 -7.443 1.00 0.00 C ATOM 0 H VAL A 18 1.371 4.330 -5.035 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.588 4.202 -5.395 1.00 0.00 H new ATOM 0 HB VAL A 18 0.589 3.883 -7.452 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.276 3.597 -9.045 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.241 2.307 -7.820 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.429 3.626 -7.690 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.443 5.862 -8.511 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.549 6.018 -7.126 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.202 6.231 -6.894 1.00 0.00 H new ATOM 235 N ILE A 19 -1.462 1.900 -4.633 1.00 0.00 N ATOM 236 CA ILE A 19 -1.478 0.500 -4.245 1.00 0.00 C ATOM 237 C ILE A 19 -2.329 -0.291 -5.241 1.00 0.00 C ATOM 238 O ILE A 19 -3.534 -0.068 -5.347 1.00 0.00 O ATOM 239 CB ILE A 19 -1.934 0.352 -2.792 1.00 0.00 C ATOM 240 CG1 ILE A 19 -0.869 0.875 -1.827 1.00 0.00 C ATOM 241 CG2 ILE A 19 -2.326 -1.095 -2.485 1.00 0.00 C ATOM 242 CD1 ILE A 19 -1.467 1.147 -0.445 1.00 0.00 C ATOM 0 H ILE A 19 -2.273 2.437 -4.325 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.472 0.082 -4.283 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.825 0.964 -2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.062 0.147 -1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.431 1.791 -2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.646 -1.173 -1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.143 -1.397 -3.140 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.468 -1.747 -2.650 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.689 1.518 0.222 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.257 1.893 -0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.882 0.224 -0.040 1.00 0.00 H new ATOM 254 N ARG A 20 -1.669 -1.199 -5.945 1.00 0.00 N ATOM 255 CA ARG A 20 -2.350 -2.024 -6.928 1.00 0.00 C ATOM 256 C ARG A 20 -2.750 -3.365 -6.309 1.00 0.00 C ATOM 257 O ARG A 20 -1.908 -4.242 -6.122 1.00 0.00 O ATOM 258 CB ARG A 20 -1.459 -2.277 -8.146 1.00 0.00 C ATOM 259 CG ARG A 20 -2.114 -3.271 -9.107 1.00 0.00 C ATOM 260 CD ARG A 20 -1.159 -3.649 -10.241 1.00 0.00 C ATOM 261 NE ARG A 20 -1.909 -3.787 -11.509 1.00 0.00 N ATOM 262 CZ ARG A 20 -1.393 -4.297 -12.635 1.00 0.00 C ATOM 263 NH1 ARG A 20 -0.121 -4.719 -12.658 1.00 0.00 N ATOM 264 NH2 ARG A 20 -2.147 -4.384 -13.739 1.00 0.00 N ATOM 0 H ARG A 20 -0.670 -1.381 -5.854 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.243 -1.488 -7.250 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.269 -1.337 -8.664 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.493 -2.663 -7.821 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.410 -4.167 -8.562 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.023 -2.836 -9.522 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.387 -2.887 -10.347 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.653 -4.585 -10.005 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.880 -3.474 -11.527 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.454 -4.652 -11.818 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.272 -5.107 -13.515 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.115 -4.062 -13.722 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.753 -4.772 -14.596 1.00 0.00 H new ATOM 278 N ILE A 21 -4.035 -3.482 -6.009 1.00 0.00 N ATOM 279 CA ILE A 21 -4.556 -4.702 -5.416 1.00 0.00 C ATOM 280 C ILE A 21 -4.669 -5.781 -6.494 1.00 0.00 C ATOM 281 O ILE A 21 -5.401 -5.616 -7.469 1.00 0.00 O ATOM 282 CB ILE A 21 -5.872 -4.422 -4.686 1.00 0.00 C ATOM 283 CG1 ILE A 21 -5.632 -3.598 -3.419 1.00 0.00 C ATOM 284 CG2 ILE A 21 -6.621 -5.723 -4.390 1.00 0.00 C ATOM 285 CD1 ILE A 21 -5.842 -2.106 -3.688 1.00 0.00 C ATOM 0 H ILE A 21 -4.731 -2.753 -6.165 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.870 -5.080 -4.658 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.507 -3.826 -5.342 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.310 -3.928 -2.632 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.618 -3.767 -3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.552 -5.497 -3.871 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.842 -6.236 -5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.002 -6.364 -3.762 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.665 -1.543 -2.772 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.146 -1.774 -4.458 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.865 -1.938 -4.026 1.00 0.00 H new ATOM 297 N LYS A 22 -3.933 -6.862 -6.284 1.00 0.00 N ATOM 298 CA LYS A 22 -3.941 -7.968 -7.226 1.00 0.00 C ATOM 299 C LYS A 22 -5.326 -8.618 -7.232 1.00 0.00 C ATOM 300 O LYS A 22 -5.743 -9.209 -6.237 1.00 0.00 O ATOM 301 CB LYS A 22 -2.805 -8.945 -6.915 1.00 0.00 C ATOM 302 CG LYS A 22 -1.620 -8.726 -7.857 1.00 0.00 C ATOM 303 CD LYS A 22 -1.966 -9.156 -9.283 1.00 0.00 C ATOM 304 CE LYS A 22 -1.321 -10.501 -9.623 1.00 0.00 C ATOM 305 NZ LYS A 22 -1.241 -10.681 -11.090 1.00 0.00 N ATOM 0 H LYS A 22 -3.327 -6.996 -5.475 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.753 -7.608 -8.237 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.482 -8.815 -5.882 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.165 -9.969 -7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.335 -7.674 -7.850 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.759 -9.292 -7.502 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.048 -9.230 -9.392 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.626 -8.397 -9.988 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.322 -10.552 -9.189 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.902 -11.311 -9.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.801 -11.599 -11.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.198 -10.653 -11.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.668 -9.918 -11.503 1.00 0.00 H new ATOM 319 N ILE A 23 -6.002 -8.485 -8.364 1.00 0.00 N ATOM 320 CA ILE A 23 -7.331 -9.051 -8.512 1.00 0.00 C ATOM 321 C ILE A 23 -7.214 -10.496 -9.002 1.00 0.00 C ATOM 322 O ILE A 23 -6.364 -10.806 -9.835 1.00 0.00 O ATOM 323 CB ILE A 23 -8.194 -8.165 -9.413 1.00 0.00 C ATOM 324 CG1 ILE A 23 -8.085 -6.695 -9.002 1.00 0.00 C ATOM 325 CG2 ILE A 23 -9.645 -8.649 -9.432 1.00 0.00 C ATOM 326 CD1 ILE A 23 -9.286 -6.273 -8.153 1.00 0.00 C ATOM 0 H ILE A 23 -5.654 -7.993 -9.187 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.841 -9.080 -7.549 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.816 -8.244 -10.432 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.164 -6.538 -8.440 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.026 -6.068 -9.892 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.236 -8.002 -10.080 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.683 -9.671 -9.809 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.052 -8.620 -8.421 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.184 -5.224 -7.874 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.203 -6.408 -8.727 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.328 -6.885 -7.252 1.00 0.00 H new ATOM 338 N PRO A 24 -8.102 -11.365 -8.448 1.00 0.00 N ATOM 339 CA PRO A 24 -8.106 -12.769 -8.820 1.00 0.00 C ATOM 340 C PRO A 24 -8.723 -12.968 -10.206 1.00 0.00 C ATOM 341 O PRO A 24 -9.908 -12.705 -10.406 1.00 0.00 O ATOM 342 CB PRO A 24 -8.887 -13.466 -7.717 1.00 0.00 C ATOM 343 CG PRO A 24 -9.684 -12.376 -7.019 1.00 0.00 C ATOM 344 CD PRO A 24 -9.123 -11.033 -7.458 1.00 0.00 C ATOM 0 HA PRO A 24 -7.102 -13.185 -8.903 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.547 -14.230 -8.128 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.216 -13.967 -7.019 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.740 -12.451 -7.277 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.612 -12.484 -5.937 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.900 -10.400 -7.887 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.696 -10.488 -6.616 1.00 0.00 H new ATOM 352 N ASN A 25 -7.891 -13.431 -11.128 1.00 0.00 N ATOM 353 CA ASN A 25 -8.339 -13.668 -12.489 1.00 0.00 C ATOM 354 C ASN A 25 -9.274 -12.535 -12.918 1.00 0.00 C ATOM 355 O ASN A 25 -10.479 -12.739 -13.058 1.00 0.00 O ATOM 356 CB ASN A 25 -9.113 -14.984 -12.593 1.00 0.00 C ATOM 357 CG ASN A 25 -8.190 -16.131 -13.011 1.00 0.00 C ATOM 358 OD1 ASN A 25 -7.054 -16.236 -12.580 1.00 0.00 O ATOM 359 ND2 ASN A 25 -8.740 -16.980 -13.874 1.00 0.00 N ATOM 0 H ASN A 25 -6.909 -13.648 -10.958 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.459 -13.715 -13.130 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.575 -15.215 -11.633 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.920 -14.879 -13.318 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.205 -17.778 -14.215 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.697 -16.833 -14.194 1.00 0.00 H new ATOM 366 N SER A 26 -8.683 -11.366 -13.116 1.00 0.00 N ATOM 367 CA SER A 26 -9.448 -10.201 -13.526 1.00 0.00 C ATOM 368 C SER A 26 -8.501 -9.081 -13.963 1.00 0.00 C ATOM 369 O SER A 26 -8.746 -8.411 -14.965 1.00 0.00 O ATOM 370 CB SER A 26 -10.360 -9.715 -12.398 1.00 0.00 C ATOM 371 OG SER A 26 -11.715 -9.592 -12.822 1.00 0.00 O ATOM 0 H SER A 26 -7.683 -11.201 -13.000 1.00 0.00 H new ATOM 0 HA SER A 26 -10.078 -10.485 -14.369 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.304 -10.411 -11.561 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.005 -8.751 -12.035 1.00 0.00 H new ATOM 0 HG SER A 26 -12.265 -9.281 -12.073 1.00 0.00 H new ATOM 377 N GLY A 27 -7.439 -8.911 -13.188 1.00 0.00 N ATOM 378 CA GLY A 27 -6.455 -7.884 -13.482 1.00 0.00 C ATOM 379 C GLY A 27 -5.872 -7.298 -12.194 1.00 0.00 C ATOM 380 O GLY A 27 -5.202 -7.999 -11.437 1.00 0.00 O ATOM 0 H GLY A 27 -7.239 -9.468 -12.357 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.654 -8.306 -14.089 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.917 -7.091 -14.070 1.00 0.00 H new ATOM 384 N ALA A 28 -6.148 -6.019 -11.986 1.00 0.00 N ATOM 385 CA ALA A 28 -5.659 -5.332 -10.803 1.00 0.00 C ATOM 386 C ALA A 28 -6.226 -3.911 -10.773 1.00 0.00 C ATOM 387 O ALA A 28 -6.385 -3.281 -11.817 1.00 0.00 O ATOM 388 CB ALA A 28 -4.129 -5.349 -10.797 1.00 0.00 C ATOM 0 H ALA A 28 -6.704 -5.441 -12.616 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.994 -5.840 -9.899 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.763 -4.833 -9.909 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.777 -6.380 -10.789 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.756 -4.845 -11.689 1.00 0.00 H new ATOM 394 N VAL A 29 -6.516 -3.449 -9.566 1.00 0.00 N ATOM 395 CA VAL A 29 -7.062 -2.114 -9.387 1.00 0.00 C ATOM 396 C VAL A 29 -6.068 -1.264 -8.593 1.00 0.00 C ATOM 397 O VAL A 29 -5.447 -1.748 -7.648 1.00 0.00 O ATOM 398 CB VAL A 29 -8.439 -2.196 -8.726 1.00 0.00 C ATOM 399 CG1 VAL A 29 -8.864 -0.835 -8.172 1.00 0.00 C ATOM 400 CG2 VAL A 29 -9.484 -2.741 -9.703 1.00 0.00 C ATOM 0 H VAL A 29 -6.383 -3.975 -8.702 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.208 -1.628 -10.352 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.368 -2.890 -7.889 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.846 -0.922 -7.708 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.139 -0.502 -7.429 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.910 -0.110 -8.984 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.454 -2.789 -9.208 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.551 -2.083 -10.569 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.192 -3.740 -10.028 1.00 0.00 H new ATOM 410 N ASP A 30 -5.949 -0.010 -9.005 1.00 0.00 N ATOM 411 CA ASP A 30 -5.042 0.912 -8.343 1.00 0.00 C ATOM 412 C ASP A 30 -5.829 1.776 -7.356 1.00 0.00 C ATOM 413 O ASP A 30 -6.827 2.394 -7.725 1.00 0.00 O ATOM 414 CB ASP A 30 -4.370 1.843 -9.354 1.00 0.00 C ATOM 415 CG ASP A 30 -5.186 3.079 -9.738 1.00 0.00 C ATOM 416 OD1 ASP A 30 -6.135 2.908 -10.534 1.00 0.00 O ATOM 417 OD2 ASP A 30 -4.844 4.167 -9.226 1.00 0.00 O ATOM 0 H ASP A 30 -6.466 0.389 -9.789 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.280 0.325 -7.830 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.414 2.170 -8.944 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.151 1.275 -10.258 1.00 0.00 H new ATOM 422 N TRP A 31 -5.351 1.791 -6.120 1.00 0.00 N ATOM 423 CA TRP A 31 -5.998 2.569 -5.077 1.00 0.00 C ATOM 424 C TRP A 31 -5.185 3.848 -4.868 1.00 0.00 C ATOM 425 O TRP A 31 -4.127 3.820 -4.242 1.00 0.00 O ATOM 426 CB TRP A 31 -6.156 1.746 -3.798 1.00 0.00 C ATOM 427 CG TRP A 31 -6.464 2.581 -2.554 1.00 0.00 C ATOM 428 CD1 TRP A 31 -7.093 3.763 -2.489 1.00 0.00 C ATOM 429 CD2 TRP A 31 -6.130 2.248 -1.190 1.00 0.00 C ATOM 430 NE1 TRP A 31 -7.187 4.215 -1.188 1.00 0.00 N ATOM 431 CE2 TRP A 31 -6.583 3.264 -0.373 1.00 0.00 C ATOM 432 CE3 TRP A 31 -5.467 1.126 -0.664 1.00 0.00 C ATOM 433 CZ2 TRP A 31 -6.423 3.259 1.018 1.00 0.00 C ATOM 434 CZ3 TRP A 31 -5.314 1.136 0.728 1.00 0.00 C ATOM 435 CH2 TRP A 31 -5.764 2.151 1.564 1.00 0.00 C ATOM 0 H TRP A 31 -4.524 1.277 -5.818 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.010 2.844 -5.373 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.956 1.020 -3.942 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.240 1.181 -3.626 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -7.478 4.295 -3.347 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.620 5.086 -0.881 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.104 0.320 -1.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.788 4.066 1.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.811 0.296 1.184 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -5.606 2.085 2.630 1.00 0.00 H new ATOM 446 N THR A 32 -5.711 4.940 -5.404 1.00 0.00 N ATOM 447 CA THR A 32 -5.047 6.227 -5.284 1.00 0.00 C ATOM 448 C THR A 32 -4.892 6.612 -3.812 1.00 0.00 C ATOM 449 O THR A 32 -5.869 6.966 -3.153 1.00 0.00 O ATOM 450 CB THR A 32 -5.844 7.248 -6.099 1.00 0.00 C ATOM 451 OG1 THR A 32 -5.049 8.429 -6.047 1.00 0.00 O ATOM 452 CG2 THR A 32 -7.153 7.648 -5.416 1.00 0.00 C ATOM 0 H THR A 32 -6.589 4.960 -5.922 1.00 0.00 H new ATOM 0 HA THR A 32 -4.034 6.189 -5.685 1.00 0.00 H new ATOM 0 HB THR A 32 -6.061 6.837 -7.085 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.393 9.025 -5.349 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.680 8.374 -6.036 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.778 6.765 -5.281 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.936 8.091 -4.444 1.00 0.00 H new ATOM 460 N VAL A 33 -3.658 6.530 -3.338 1.00 0.00 N ATOM 461 CA VAL A 33 -3.363 6.865 -1.955 1.00 0.00 C ATOM 462 C VAL A 33 -2.513 8.137 -1.914 1.00 0.00 C ATOM 463 O VAL A 33 -1.412 8.171 -2.462 1.00 0.00 O ATOM 464 CB VAL A 33 -2.695 5.677 -1.260 1.00 0.00 C ATOM 465 CG1 VAL A 33 -2.372 6.007 0.199 1.00 0.00 C ATOM 466 CG2 VAL A 33 -3.566 4.424 -1.359 1.00 0.00 C ATOM 0 H VAL A 33 -2.850 6.236 -3.887 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.282 7.070 -1.407 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.755 5.473 -1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.898 5.146 0.670 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.695 6.860 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.293 6.250 0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.068 3.594 -0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.528 4.611 -0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.723 4.172 -2.408 1.00 0.00 H new ATOM 476 N HIS A 34 -3.057 9.152 -1.259 1.00 0.00 N ATOM 477 CA HIS A 34 -2.362 10.423 -1.138 1.00 0.00 C ATOM 478 C HIS A 34 -1.660 10.498 0.219 1.00 0.00 C ATOM 479 O HIS A 34 -0.665 11.205 0.369 1.00 0.00 O ATOM 480 CB HIS A 34 -3.322 11.591 -1.374 1.00 0.00 C ATOM 481 CG HIS A 34 -4.127 11.477 -2.646 1.00 0.00 C ATOM 482 ND1 HIS A 34 -4.250 12.516 -3.552 1.00 0.00 N ATOM 483 CD2 HIS A 34 -4.848 10.436 -3.154 1.00 0.00 C ATOM 484 CE1 HIS A 34 -5.013 12.108 -4.556 1.00 0.00 C ATOM 485 NE2 HIS A 34 -5.383 10.819 -4.307 1.00 0.00 N ATOM 0 H HIS A 34 -3.971 9.121 -0.807 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.595 10.497 -1.909 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.006 11.662 -0.528 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.750 12.518 -1.400 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.825 13.439 -3.462 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.964 9.465 -2.696 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.293 12.693 -5.420 1.00 0.00 H new ATOM 493 N SER A 35 -2.205 9.757 1.173 1.00 0.00 N ATOM 494 CA SER A 35 -1.643 9.731 2.513 1.00 0.00 C ATOM 495 C SER A 35 -0.761 8.493 2.685 1.00 0.00 C ATOM 496 O SER A 35 -0.866 7.786 3.687 1.00 0.00 O ATOM 497 CB SER A 35 -2.746 9.749 3.573 1.00 0.00 C ATOM 498 OG SER A 35 -2.957 11.055 4.102 1.00 0.00 O ATOM 0 H SER A 35 -3.029 9.170 1.045 1.00 0.00 H new ATOM 0 HA SER A 35 -1.034 10.625 2.647 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.674 9.380 3.136 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.482 9.068 4.382 1.00 0.00 H new ATOM 0 HG SER A 35 -3.576 11.005 4.860 1.00 0.00 H new ATOM 504 N GLY A 36 0.089 8.268 1.694 1.00 0.00 N ATOM 505 CA GLY A 36 0.989 7.127 1.724 1.00 0.00 C ATOM 506 C GLY A 36 1.516 6.882 3.139 1.00 0.00 C ATOM 507 O GLY A 36 1.417 5.772 3.659 1.00 0.00 O ATOM 0 H GLY A 36 0.174 8.856 0.865 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.468 6.239 1.367 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.825 7.300 1.046 1.00 0.00 H new ATOM 511 N PRO A 37 2.081 7.965 3.738 1.00 0.00 N ATOM 512 CA PRO A 37 2.624 7.879 5.082 1.00 0.00 C ATOM 513 C PRO A 37 1.505 7.843 6.125 1.00 0.00 C ATOM 514 O PRO A 37 1.580 7.091 7.096 1.00 0.00 O ATOM 515 CB PRO A 37 3.527 9.094 5.221 1.00 0.00 C ATOM 516 CG PRO A 37 3.097 10.059 4.128 1.00 0.00 C ATOM 517 CD PRO A 37 2.216 9.296 3.152 1.00 0.00 C ATOM 0 HA PRO A 37 3.186 6.960 5.250 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.422 9.548 6.206 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.575 8.817 5.107 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.553 10.901 4.555 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.968 10.469 3.616 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.245 9.778 3.035 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.670 9.249 2.162 1.00 0.00 H new ATOM 525 N GLN A 38 0.493 8.665 5.889 1.00 0.00 N ATOM 526 CA GLN A 38 -0.640 8.737 6.795 1.00 0.00 C ATOM 527 C GLN A 38 -1.666 7.656 6.448 1.00 0.00 C ATOM 528 O GLN A 38 -2.862 7.933 6.371 1.00 0.00 O ATOM 529 CB GLN A 38 -1.277 10.128 6.767 1.00 0.00 C ATOM 530 CG GLN A 38 -1.927 10.460 8.111 1.00 0.00 C ATOM 531 CD GLN A 38 -2.018 11.974 8.317 1.00 0.00 C ATOM 532 OE1 GLN A 38 -1.160 12.735 7.903 1.00 0.00 O ATOM 533 NE2 GLN A 38 -3.105 12.365 8.977 1.00 0.00 N ATOM 0 H GLN A 38 0.434 9.287 5.083 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.282 8.558 7.809 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.519 10.875 6.531 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.025 10.173 5.976 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.925 10.023 8.154 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.348 10.014 8.919 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.784 11.674 9.296 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.259 13.356 9.164 1.00 0.00 H new ATOM 542 N LEU A 39 -1.161 6.448 6.249 1.00 0.00 N ATOM 543 CA LEU A 39 -2.019 5.324 5.912 1.00 0.00 C ATOM 544 C LEU A 39 -1.953 4.284 7.033 1.00 0.00 C ATOM 545 O LEU A 39 -0.900 4.080 7.634 1.00 0.00 O ATOM 546 CB LEU A 39 -1.657 4.767 4.534 1.00 0.00 C ATOM 547 CG LEU A 39 -2.595 3.695 3.976 1.00 0.00 C ATOM 548 CD1 LEU A 39 -3.949 4.297 3.594 1.00 0.00 C ATOM 549 CD2 LEU A 39 -1.946 2.955 2.805 1.00 0.00 C ATOM 0 H LEU A 39 -0.168 6.222 6.315 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.057 5.647 5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.623 5.596 3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.651 4.350 4.585 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.779 2.960 4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.597 3.514 3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.411 4.741 4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.804 5.065 2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.634 2.198 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.714 3.664 2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.028 2.474 3.142 1.00 0.00 H new ATOM 561 N LEU A 40 -3.093 3.654 7.279 1.00 0.00 N ATOM 562 CA LEU A 40 -3.178 2.641 8.317 1.00 0.00 C ATOM 563 C LEU A 40 -3.478 1.284 7.675 1.00 0.00 C ATOM 564 O LEU A 40 -3.891 1.219 6.518 1.00 0.00 O ATOM 565 CB LEU A 40 -4.191 3.053 9.387 1.00 0.00 C ATOM 566 CG LEU A 40 -3.800 4.251 10.254 1.00 0.00 C ATOM 567 CD1 LEU A 40 -4.982 4.721 11.104 1.00 0.00 C ATOM 568 CD2 LEU A 40 -2.572 3.932 11.109 1.00 0.00 C ATOM 0 H LEU A 40 -3.965 3.826 6.778 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.224 2.545 8.835 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.137 3.279 8.896 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.367 2.199 10.041 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.528 5.075 9.595 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.677 5.574 11.711 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.805 5.015 10.452 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.307 3.910 11.755 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.315 4.801 11.716 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.792 3.086 11.761 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.732 3.681 10.461 1.00 0.00 H new ATOM 580 N PHE A 41 -3.259 0.236 8.455 1.00 0.00 N ATOM 581 CA PHE A 41 -3.501 -1.115 7.977 1.00 0.00 C ATOM 582 C PHE A 41 -4.989 -1.342 7.703 1.00 0.00 C ATOM 583 O PHE A 41 -5.354 -1.960 6.704 1.00 0.00 O ATOM 584 CB PHE A 41 -3.048 -2.069 9.084 1.00 0.00 C ATOM 585 CG PHE A 41 -3.237 -3.549 8.746 1.00 0.00 C ATOM 586 CD1 PHE A 41 -2.599 -4.088 7.673 1.00 0.00 C ATOM 587 CD2 PHE A 41 -4.042 -4.326 9.519 1.00 0.00 C ATOM 588 CE1 PHE A 41 -2.774 -5.462 7.359 1.00 0.00 C ATOM 589 CE2 PHE A 41 -4.217 -5.700 9.206 1.00 0.00 C ATOM 590 CZ PHE A 41 -3.580 -6.239 8.132 1.00 0.00 C ATOM 0 H PHE A 41 -2.917 0.295 9.414 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.958 -1.283 7.047 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.995 -1.887 9.298 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.602 -1.841 9.995 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.959 -3.471 7.059 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.548 -3.898 10.371 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.267 -5.890 6.507 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.856 -6.317 9.821 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.714 -7.284 7.893 1.00 0.00 H new ATOM 600 N ARG A 42 -5.810 -0.828 8.609 1.00 0.00 N ATOM 601 CA ARG A 42 -7.250 -0.967 8.477 1.00 0.00 C ATOM 602 C ARG A 42 -7.732 -0.300 7.187 1.00 0.00 C ATOM 603 O ARG A 42 -8.510 -0.885 6.435 1.00 0.00 O ATOM 604 CB ARG A 42 -7.975 -0.338 9.669 1.00 0.00 C ATOM 605 CG ARG A 42 -7.450 -0.904 10.990 1.00 0.00 C ATOM 606 CD ARG A 42 -7.638 -2.421 11.051 1.00 0.00 C ATOM 607 NE ARG A 42 -7.974 -2.834 12.432 1.00 0.00 N ATOM 608 CZ ARG A 42 -7.070 -3.005 13.406 1.00 0.00 C ATOM 609 NH1 ARG A 42 -5.770 -2.799 13.156 1.00 0.00 N ATOM 610 NH2 ARG A 42 -7.466 -3.382 14.629 1.00 0.00 N ATOM 0 H ARG A 42 -5.505 -0.315 9.436 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.479 -2.032 8.447 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.839 0.743 9.653 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.046 -0.526 9.589 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.393 -0.660 11.099 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.973 -0.436 11.824 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.431 -2.725 10.368 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.727 -2.922 10.724 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.955 -2.999 12.656 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.469 -2.512 12.225 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.081 -2.929 13.897 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.456 -3.539 14.819 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.778 -3.512 15.370 1.00 0.00 H new ATOM 624 N ASP A 43 -7.249 0.915 6.970 1.00 0.00 N ATOM 625 CA ASP A 43 -7.621 1.667 5.784 1.00 0.00 C ATOM 626 C ASP A 43 -7.562 0.747 4.563 1.00 0.00 C ATOM 627 O ASP A 43 -8.500 0.704 3.769 1.00 0.00 O ATOM 628 CB ASP A 43 -6.657 2.831 5.546 1.00 0.00 C ATOM 629 CG ASP A 43 -7.032 4.136 6.250 1.00 0.00 C ATOM 630 OD1 ASP A 43 -8.216 4.254 6.633 1.00 0.00 O ATOM 631 OD2 ASP A 43 -6.126 4.986 6.390 1.00 0.00 O ATOM 0 H ASP A 43 -6.603 1.397 7.596 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.628 2.057 5.933 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.662 2.532 5.875 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.596 3.019 4.474 1.00 0.00 H new ATOM 636 N VAL A 44 -6.451 0.035 4.451 1.00 0.00 N ATOM 637 CA VAL A 44 -6.258 -0.882 3.340 1.00 0.00 C ATOM 638 C VAL A 44 -7.403 -1.896 3.317 1.00 0.00 C ATOM 639 O VAL A 44 -8.105 -2.022 2.315 1.00 0.00 O ATOM 640 CB VAL A 44 -4.879 -1.538 3.437 1.00 0.00 C ATOM 641 CG1 VAL A 44 -4.666 -2.535 2.296 1.00 0.00 C ATOM 642 CG2 VAL A 44 -3.770 -0.485 3.459 1.00 0.00 C ATOM 0 H VAL A 44 -5.675 0.074 5.111 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.281 -0.345 2.392 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.835 -2.089 4.377 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.679 -2.987 2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.428 -3.313 2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.740 -2.016 1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.801 -0.979 3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.811 0.106 2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.906 0.169 4.320 1.00 0.00 H new ATOM 652 N LEU A 45 -7.556 -2.594 4.433 1.00 0.00 N ATOM 653 CA LEU A 45 -8.604 -3.593 4.553 1.00 0.00 C ATOM 654 C LEU A 45 -9.960 -2.940 4.274 1.00 0.00 C ATOM 655 O LEU A 45 -10.866 -3.584 3.747 1.00 0.00 O ATOM 656 CB LEU A 45 -8.526 -4.291 5.912 1.00 0.00 C ATOM 657 CG LEU A 45 -7.323 -5.214 6.124 1.00 0.00 C ATOM 658 CD1 LEU A 45 -6.910 -5.885 4.812 1.00 0.00 C ATOM 659 CD2 LEU A 45 -6.161 -4.460 6.773 1.00 0.00 C ATOM 0 H LEU A 45 -6.972 -2.487 5.262 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.469 -4.378 3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.515 -3.528 6.690 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.436 -4.875 6.051 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.617 -6.006 6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.053 -6.535 4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.741 -6.477 4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.641 -5.122 4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.320 -5.139 6.912 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.858 -3.634 6.129 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.476 -4.069 7.741 1.00 0.00 H new ATOM 671 N ASP A 46 -10.056 -1.671 4.641 1.00 0.00 N ATOM 672 CA ASP A 46 -11.285 -0.924 4.437 1.00 0.00 C ATOM 673 C ASP A 46 -11.476 -0.662 2.942 1.00 0.00 C ATOM 674 O ASP A 46 -12.605 -0.547 2.467 1.00 0.00 O ATOM 675 CB ASP A 46 -11.234 0.428 5.151 1.00 0.00 C ATOM 676 CG ASP A 46 -11.870 0.450 6.542 1.00 0.00 C ATOM 677 OD1 ASP A 46 -11.506 -0.434 7.347 1.00 0.00 O ATOM 678 OD2 ASP A 46 -12.707 1.350 6.769 1.00 0.00 O ATOM 0 H ASP A 46 -9.302 -1.141 5.079 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.108 -1.514 4.841 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.192 0.736 5.240 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.734 1.170 4.528 1.00 0.00 H new ATOM 683 N VAL A 47 -10.355 -0.575 2.241 1.00 0.00 N ATOM 684 CA VAL A 47 -10.384 -0.329 0.809 1.00 0.00 C ATOM 685 C VAL A 47 -10.625 -1.649 0.074 1.00 0.00 C ATOM 686 O VAL A 47 -11.596 -1.780 -0.670 1.00 0.00 O ATOM 687 CB VAL A 47 -9.096 0.372 0.372 1.00 0.00 C ATOM 688 CG1 VAL A 47 -8.908 0.279 -1.143 1.00 0.00 C ATOM 689 CG2 VAL A 47 -9.080 1.829 0.839 1.00 0.00 C ATOM 0 H VAL A 47 -9.420 -0.671 2.638 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.205 0.340 0.553 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.258 -0.140 0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.985 0.785 -1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.853 -0.769 -1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.751 0.754 -1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.154 2.305 0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.930 2.359 0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.145 1.863 1.927 1.00 0.00 H new ATOM 699 N ILE A 48 -9.726 -2.593 0.308 1.00 0.00 N ATOM 700 CA ILE A 48 -9.828 -3.898 -0.323 1.00 0.00 C ATOM 701 C ILE A 48 -11.282 -4.372 -0.269 1.00 0.00 C ATOM 702 O ILE A 48 -11.822 -4.845 -1.268 1.00 0.00 O ATOM 703 CB ILE A 48 -8.838 -4.878 0.309 1.00 0.00 C ATOM 704 CG1 ILE A 48 -7.425 -4.656 -0.235 1.00 0.00 C ATOM 705 CG2 ILE A 48 -9.304 -6.323 0.124 1.00 0.00 C ATOM 706 CD1 ILE A 48 -6.405 -5.506 0.526 1.00 0.00 C ATOM 0 H ILE A 48 -8.923 -2.480 0.926 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.551 -3.836 -1.375 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.804 -4.686 1.381 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.396 -4.908 -1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.160 -3.602 -0.151 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.583 -6.999 0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -10.277 -6.455 0.598 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -9.385 -6.546 -0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.409 -5.330 0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.420 -5.234 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.659 -6.561 0.420 1.00 0.00 H new ATOM 718 N GLY A 49 -11.874 -4.230 0.908 1.00 0.00 N ATOM 719 CA GLY A 49 -13.255 -4.638 1.104 1.00 0.00 C ATOM 720 C GLY A 49 -14.135 -4.174 -0.058 1.00 0.00 C ATOM 721 O GLY A 49 -15.144 -4.805 -0.368 1.00 0.00 O ATOM 0 H GLY A 49 -11.423 -3.838 1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.308 -5.723 1.194 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.632 -4.222 2.038 1.00 0.00 H new ATOM 725 N GLN A 50 -13.721 -3.074 -0.669 1.00 0.00 N ATOM 726 CA GLN A 50 -14.459 -2.518 -1.791 1.00 0.00 C ATOM 727 C GLN A 50 -14.043 -3.205 -3.093 1.00 0.00 C ATOM 728 O GLN A 50 -14.877 -3.450 -3.963 1.00 0.00 O ATOM 729 CB GLN A 50 -14.259 -1.004 -1.882 1.00 0.00 C ATOM 730 CG GLN A 50 -14.636 -0.321 -0.565 1.00 0.00 C ATOM 731 CD GLN A 50 -15.630 0.818 -0.803 1.00 0.00 C ATOM 732 OE1 GLN A 50 -16.757 0.615 -1.224 1.00 0.00 O ATOM 733 NE2 GLN A 50 -15.151 2.024 -0.511 1.00 0.00 N ATOM 0 H GLN A 50 -12.884 -2.553 -0.409 1.00 0.00 H new ATOM 0 HA GLN A 50 -15.521 -2.702 -1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -13.219 -0.785 -2.125 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -14.867 -0.601 -2.692 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -15.071 -1.052 0.116 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -13.739 0.069 -0.084 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.198 2.123 -0.162 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.737 2.849 -0.636 1.00 0.00 H new ATOM 742 N VAL A 51 -12.754 -3.497 -3.185 1.00 0.00 N ATOM 743 CA VAL A 51 -12.218 -4.151 -4.367 1.00 0.00 C ATOM 744 C VAL A 51 -12.681 -5.609 -4.392 1.00 0.00 C ATOM 745 O VAL A 51 -13.046 -6.130 -5.445 1.00 0.00 O ATOM 746 CB VAL A 51 -10.695 -4.007 -4.399 1.00 0.00 C ATOM 747 CG1 VAL A 51 -10.125 -4.506 -5.728 1.00 0.00 C ATOM 748 CG2 VAL A 51 -10.275 -2.560 -4.131 1.00 0.00 C ATOM 0 H VAL A 51 -12.065 -3.293 -2.461 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.596 -3.674 -5.272 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.283 -4.628 -3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.041 -4.392 -5.724 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.379 -5.558 -5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.548 -3.924 -6.547 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.188 -2.485 -4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.703 -1.910 -4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.634 -2.253 -3.149 1.00 0.00 H new ATOM 758 N LEU A 52 -12.652 -6.226 -3.220 1.00 0.00 N ATOM 759 CA LEU A 52 -13.064 -7.613 -3.094 1.00 0.00 C ATOM 760 C LEU A 52 -14.224 -7.708 -2.101 1.00 0.00 C ATOM 761 O LEU A 52 -14.030 -8.095 -0.949 1.00 0.00 O ATOM 762 CB LEU A 52 -11.869 -8.497 -2.730 1.00 0.00 C ATOM 763 CG LEU A 52 -10.897 -8.813 -3.868 1.00 0.00 C ATOM 764 CD1 LEU A 52 -10.030 -7.597 -4.202 1.00 0.00 C ATOM 765 CD2 LEU A 52 -10.053 -10.046 -3.542 1.00 0.00 C ATOM 0 H LEU A 52 -12.349 -5.790 -2.349 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.430 -7.989 -4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.313 -8.010 -1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.247 -9.438 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.479 -9.048 -4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.348 -7.849 -5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.668 -6.768 -4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.455 -7.307 -3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.371 -10.248 -4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.479 -9.864 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.707 -10.905 -3.393 1.00 0.00 H new ATOM 777 N PRO A 53 -15.436 -7.339 -2.595 1.00 0.00 N ATOM 778 CA PRO A 53 -16.627 -7.379 -1.764 1.00 0.00 C ATOM 779 C PRO A 53 -17.108 -8.817 -1.564 1.00 0.00 C ATOM 780 O PRO A 53 -17.841 -9.104 -0.619 1.00 0.00 O ATOM 781 CB PRO A 53 -17.641 -6.509 -2.489 1.00 0.00 C ATOM 782 CG PRO A 53 -17.144 -6.393 -3.920 1.00 0.00 C ATOM 783 CD PRO A 53 -15.703 -6.876 -3.954 1.00 0.00 C ATOM 0 HA PRO A 53 -16.449 -7.005 -0.756 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -18.634 -6.957 -2.456 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.718 -5.527 -2.022 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.763 -6.991 -4.589 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -17.209 -5.361 -4.264 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.571 -7.679 -4.679 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -15.023 -6.074 -4.240 1.00 0.00 H new ATOM 791 N GLU A 54 -16.677 -9.683 -2.469 1.00 0.00 N ATOM 792 CA GLU A 54 -17.054 -11.085 -2.404 1.00 0.00 C ATOM 793 C GLU A 54 -15.895 -11.922 -1.859 1.00 0.00 C ATOM 794 O GLU A 54 -15.996 -13.145 -1.770 1.00 0.00 O ATOM 795 CB GLU A 54 -17.503 -11.596 -3.774 1.00 0.00 C ATOM 796 CG GLU A 54 -17.837 -10.433 -4.711 1.00 0.00 C ATOM 797 CD GLU A 54 -18.736 -10.896 -5.859 1.00 0.00 C ATOM 798 OE1 GLU A 54 -18.292 -11.800 -6.599 1.00 0.00 O ATOM 799 OE2 GLU A 54 -19.847 -10.335 -5.972 1.00 0.00 O ATOM 0 H GLU A 54 -16.070 -9.441 -3.252 1.00 0.00 H new ATOM 0 HA GLU A 54 -17.899 -11.183 -1.722 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -16.715 -12.207 -4.214 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -18.377 -12.237 -3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -18.335 -9.641 -4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -16.917 -10.009 -5.113 1.00 0.00 H new ATOM 806 N ALA A 55 -14.821 -11.230 -1.508 1.00 0.00 N ATOM 807 CA ALA A 55 -13.644 -11.894 -0.974 1.00 0.00 C ATOM 808 C ALA A 55 -12.952 -10.969 0.029 1.00 0.00 C ATOM 809 O ALA A 55 -11.976 -10.301 -0.308 1.00 0.00 O ATOM 810 CB ALA A 55 -12.721 -12.301 -2.125 1.00 0.00 C ATOM 0 H ALA A 55 -14.741 -10.216 -1.583 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.925 -12.804 -0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.838 -12.799 -1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.250 -12.981 -2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.417 -11.413 -2.679 1.00 0.00 H new ATOM 816 N THR A 56 -13.486 -10.959 1.242 1.00 0.00 N ATOM 817 CA THR A 56 -12.932 -10.126 2.296 1.00 0.00 C ATOM 818 C THR A 56 -11.425 -10.360 2.424 1.00 0.00 C ATOM 819 O THR A 56 -10.874 -11.248 1.775 1.00 0.00 O ATOM 820 CB THR A 56 -13.704 -10.419 3.584 1.00 0.00 C ATOM 821 OG1 THR A 56 -13.276 -9.400 4.484 1.00 0.00 O ATOM 822 CG2 THR A 56 -13.255 -11.719 4.253 1.00 0.00 C ATOM 0 H THR A 56 -14.296 -11.514 1.518 1.00 0.00 H new ATOM 0 HA THR A 56 -13.046 -9.067 2.065 1.00 0.00 H new ATOM 0 HB THR A 56 -14.770 -10.474 3.364 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.729 -9.513 5.346 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.834 -11.879 5.162 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.414 -12.553 3.570 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.197 -11.652 4.504 1.00 0.00 H new ATOM 830 N THR A 57 -10.802 -9.548 3.266 1.00 0.00 N ATOM 831 CA THR A 57 -9.370 -9.656 3.487 1.00 0.00 C ATOM 832 C THR A 57 -8.963 -8.869 4.735 1.00 0.00 C ATOM 833 O THR A 57 -9.474 -7.777 4.978 1.00 0.00 O ATOM 834 CB THR A 57 -8.659 -9.189 2.216 1.00 0.00 C ATOM 835 OG1 THR A 57 -8.533 -10.374 1.434 1.00 0.00 O ATOM 836 CG2 THR A 57 -7.213 -8.761 2.477 1.00 0.00 C ATOM 0 H THR A 57 -11.263 -8.813 3.803 1.00 0.00 H new ATOM 0 HA THR A 57 -9.076 -10.688 3.681 1.00 0.00 H new ATOM 0 HB THR A 57 -9.210 -8.358 1.777 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.210 -11.025 1.715 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.755 -8.439 1.542 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.201 -7.937 3.190 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.653 -9.602 2.885 1.00 0.00 H new ATOM 844 N THR A 58 -8.047 -9.455 5.492 1.00 0.00 N ATOM 845 CA THR A 58 -7.566 -8.822 6.708 1.00 0.00 C ATOM 846 C THR A 58 -6.109 -8.386 6.542 1.00 0.00 C ATOM 847 O THR A 58 -5.716 -7.325 7.023 1.00 0.00 O ATOM 848 CB THR A 58 -7.779 -9.800 7.866 1.00 0.00 C ATOM 849 OG1 THR A 58 -9.180 -9.741 8.116 1.00 0.00 O ATOM 850 CG2 THR A 58 -7.147 -9.309 9.170 1.00 0.00 C ATOM 0 H THR A 58 -7.625 -10.361 5.287 1.00 0.00 H new ATOM 0 HA THR A 58 -8.123 -7.911 6.926 1.00 0.00 H new ATOM 0 HB THR A 58 -7.360 -10.771 7.603 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.407 -10.347 8.852 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.327 -10.039 9.959 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.073 -9.184 9.029 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.590 -8.354 9.452 1.00 0.00 H new ATOM 858 N ALA A 59 -5.347 -9.227 5.858 1.00 0.00 N ATOM 859 CA ALA A 59 -3.942 -8.942 5.622 1.00 0.00 C ATOM 860 C ALA A 59 -3.666 -8.970 4.117 1.00 0.00 C ATOM 861 O ALA A 59 -4.524 -9.372 3.332 1.00 0.00 O ATOM 862 CB ALA A 59 -3.081 -9.946 6.391 1.00 0.00 C ATOM 0 H ALA A 59 -5.676 -10.106 5.460 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.686 -7.947 5.986 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.027 -9.732 6.214 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.293 -9.866 7.457 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.308 -10.956 6.051 1.00 0.00 H new ATOM 868 N PHE A 60 -2.466 -8.537 3.759 1.00 0.00 N ATOM 869 CA PHE A 60 -2.067 -8.507 2.363 1.00 0.00 C ATOM 870 C PHE A 60 -0.546 -8.591 2.225 1.00 0.00 C ATOM 871 O PHE A 60 0.187 -8.069 3.064 1.00 0.00 O ATOM 872 CB PHE A 60 -2.546 -7.172 1.789 1.00 0.00 C ATOM 873 CG PHE A 60 -2.223 -5.964 2.671 1.00 0.00 C ATOM 874 CD1 PHE A 60 -1.048 -5.299 2.511 1.00 0.00 C ATOM 875 CD2 PHE A 60 -3.112 -5.556 3.616 1.00 0.00 C ATOM 876 CE1 PHE A 60 -0.749 -4.178 3.330 1.00 0.00 C ATOM 877 CE2 PHE A 60 -2.813 -4.435 4.435 1.00 0.00 C ATOM 878 CZ PHE A 60 -1.638 -3.770 4.275 1.00 0.00 C ATOM 0 H PHE A 60 -1.757 -8.204 4.412 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.500 -9.356 1.835 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.092 -7.025 0.809 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.624 -7.220 1.636 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.342 -5.623 1.761 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -4.045 -6.084 3.744 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.184 -3.650 3.202 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.519 -4.111 5.185 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.411 -2.918 4.898 1.00 0.00 H new ATOM 888 N GLU A 61 -0.115 -9.253 1.161 1.00 0.00 N ATOM 889 CA GLU A 61 1.306 -9.413 0.904 1.00 0.00 C ATOM 890 C GLU A 61 1.769 -8.411 -0.156 1.00 0.00 C ATOM 891 O GLU A 61 0.963 -7.915 -0.942 1.00 0.00 O ATOM 892 CB GLU A 61 1.629 -10.847 0.480 1.00 0.00 C ATOM 893 CG GLU A 61 1.329 -11.833 1.611 1.00 0.00 C ATOM 894 CD GLU A 61 1.889 -13.221 1.290 1.00 0.00 C ATOM 895 OE1 GLU A 61 1.530 -13.742 0.212 1.00 0.00 O ATOM 896 OE2 GLU A 61 2.662 -13.729 2.131 1.00 0.00 O ATOM 0 H GLU A 61 -0.725 -9.685 0.467 1.00 0.00 H new ATOM 0 HA GLU A 61 1.847 -9.212 1.828 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.044 -11.110 -0.401 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.680 -10.919 0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.763 -11.468 2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.252 -11.898 1.766 1.00 0.00 H new ATOM 903 N TYR A 62 3.066 -8.142 -0.143 1.00 0.00 N ATOM 904 CA TYR A 62 3.646 -7.208 -1.093 1.00 0.00 C ATOM 905 C TYR A 62 5.100 -7.572 -1.403 1.00 0.00 C ATOM 906 O TYR A 62 5.884 -7.839 -0.493 1.00 0.00 O ATOM 907 CB TYR A 62 3.610 -5.838 -0.413 1.00 0.00 C ATOM 908 CG TYR A 62 4.804 -5.567 0.505 1.00 0.00 C ATOM 909 CD1 TYR A 62 6.037 -5.266 -0.036 1.00 0.00 C ATOM 910 CD2 TYR A 62 4.647 -5.624 1.875 1.00 0.00 C ATOM 911 CE1 TYR A 62 7.160 -5.011 0.828 1.00 0.00 C ATOM 912 CE2 TYR A 62 5.770 -5.369 2.740 1.00 0.00 C ATOM 913 CZ TYR A 62 6.971 -5.076 2.173 1.00 0.00 C ATOM 914 OH TYR A 62 8.032 -4.835 2.990 1.00 0.00 O ATOM 0 H TYR A 62 3.732 -8.554 0.510 1.00 0.00 H new ATOM 0 HA TYR A 62 3.093 -7.224 -2.032 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.571 -5.064 -1.180 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.692 -5.757 0.169 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.160 -5.222 -1.108 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.682 -5.860 2.299 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.130 -4.774 0.417 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.661 -5.410 3.814 1.00 0.00 H new ATOM 0 HH TYR A 62 8.846 -4.749 2.452 1.00 0.00 H new ATOM 924 N GLU A 63 5.415 -7.571 -2.689 1.00 0.00 N ATOM 925 CA GLU A 63 6.761 -7.898 -3.130 1.00 0.00 C ATOM 926 C GLU A 63 7.752 -6.839 -2.642 1.00 0.00 C ATOM 927 O GLU A 63 7.592 -5.654 -2.931 1.00 0.00 O ATOM 928 CB GLU A 63 6.819 -8.042 -4.652 1.00 0.00 C ATOM 929 CG GLU A 63 6.450 -9.463 -5.082 1.00 0.00 C ATOM 930 CD GLU A 63 5.538 -9.445 -6.311 1.00 0.00 C ATOM 931 OE1 GLU A 63 4.733 -8.493 -6.405 1.00 0.00 O ATOM 932 OE2 GLU A 63 5.667 -10.382 -7.128 1.00 0.00 O ATOM 0 H GLU A 63 4.762 -7.349 -3.440 1.00 0.00 H new ATOM 0 HA GLU A 63 7.041 -8.858 -2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.136 -7.329 -5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.821 -7.800 -5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.356 -10.026 -5.305 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.950 -9.977 -4.261 1.00 0.00 H new ATOM 939 N ASP A 64 8.752 -7.304 -1.909 1.00 0.00 N ATOM 940 CA ASP A 64 9.769 -6.412 -1.377 1.00 0.00 C ATOM 941 C ASP A 64 10.867 -6.216 -2.424 1.00 0.00 C ATOM 942 O ASP A 64 10.622 -6.364 -3.621 1.00 0.00 O ATOM 943 CB ASP A 64 10.414 -6.999 -0.120 1.00 0.00 C ATOM 944 CG ASP A 64 10.855 -5.969 0.921 1.00 0.00 C ATOM 945 OD1 ASP A 64 9.952 -5.394 1.569 1.00 0.00 O ATOM 946 OD2 ASP A 64 12.084 -5.778 1.047 1.00 0.00 O ATOM 0 H ASP A 64 8.880 -8.287 -1.670 1.00 0.00 H new ATOM 0 HA ASP A 64 9.290 -5.465 -1.128 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.707 -7.685 0.346 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.282 -7.588 -0.416 1.00 0.00 H new ATOM 951 N GLU A 65 12.053 -5.885 -1.936 1.00 0.00 N ATOM 952 CA GLU A 65 13.190 -5.667 -2.815 1.00 0.00 C ATOM 953 C GLU A 65 13.670 -6.996 -3.402 1.00 0.00 C ATOM 954 O GLU A 65 14.111 -7.049 -4.549 1.00 0.00 O ATOM 955 CB GLU A 65 14.324 -4.952 -2.078 1.00 0.00 C ATOM 956 CG GLU A 65 14.919 -5.846 -0.988 1.00 0.00 C ATOM 957 CD GLU A 65 16.176 -6.558 -1.489 1.00 0.00 C ATOM 958 OE1 GLU A 65 16.262 -6.760 -2.720 1.00 0.00 O ATOM 959 OE2 GLU A 65 17.024 -6.886 -0.630 1.00 0.00 O ATOM 0 H GLU A 65 12.252 -5.762 -0.943 1.00 0.00 H new ATOM 0 HA GLU A 65 12.872 -5.024 -3.635 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.102 -4.670 -2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 65 13.949 -4.030 -1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 65 15.162 -5.245 -0.112 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.180 -6.583 -0.674 1.00 0.00 H new ATOM 966 N ASP A 66 13.568 -8.037 -2.588 1.00 0.00 N ATOM 967 CA ASP A 66 13.986 -9.362 -3.013 1.00 0.00 C ATOM 968 C ASP A 66 12.764 -10.150 -3.489 1.00 0.00 C ATOM 969 O ASP A 66 12.804 -11.377 -3.567 1.00 0.00 O ATOM 970 CB ASP A 66 14.625 -10.134 -1.857 1.00 0.00 C ATOM 971 CG ASP A 66 16.136 -10.345 -1.977 1.00 0.00 C ATOM 972 OD1 ASP A 66 16.753 -9.595 -2.764 1.00 0.00 O ATOM 973 OD2 ASP A 66 16.640 -11.252 -1.280 1.00 0.00 O ATOM 0 H ASP A 66 13.202 -7.989 -1.637 1.00 0.00 H new ATOM 0 HA ASP A 66 14.714 -9.245 -3.816 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.420 -9.602 -0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.142 -11.108 -1.780 1.00 0.00 H new ATOM 978 N GLY A 67 11.706 -9.412 -3.794 1.00 0.00 N ATOM 979 CA GLY A 67 10.475 -10.027 -4.260 1.00 0.00 C ATOM 980 C GLY A 67 10.216 -11.352 -3.540 1.00 0.00 C ATOM 981 O GLY A 67 10.080 -12.394 -4.179 1.00 0.00 O ATOM 0 H GLY A 67 11.676 -8.395 -3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.639 -9.348 -4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.535 -10.199 -5.335 1.00 0.00 H new ATOM 985 N ASP A 68 10.157 -11.269 -2.219 1.00 0.00 N ATOM 986 CA ASP A 68 9.917 -12.449 -1.405 1.00 0.00 C ATOM 987 C ASP A 68 8.472 -12.432 -0.903 1.00 0.00 C ATOM 988 O ASP A 68 8.070 -13.297 -0.127 1.00 0.00 O ATOM 989 CB ASP A 68 10.841 -12.473 -0.186 1.00 0.00 C ATOM 990 CG ASP A 68 10.982 -13.838 0.491 1.00 0.00 C ATOM 991 OD1 ASP A 68 11.242 -14.813 -0.247 1.00 0.00 O ATOM 992 OD2 ASP A 68 10.826 -13.876 1.731 1.00 0.00 O ATOM 0 H ASP A 68 10.271 -10.403 -1.692 1.00 0.00 H new ATOM 0 HA ASP A 68 10.108 -13.328 -2.020 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.830 -12.132 -0.492 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.469 -11.757 0.547 1.00 0.00 H new ATOM 997 N ARG A 69 7.730 -11.437 -1.367 1.00 0.00 N ATOM 998 CA ARG A 69 6.338 -11.296 -0.975 1.00 0.00 C ATOM 999 C ARG A 69 6.217 -11.261 0.550 1.00 0.00 C ATOM 1000 O ARG A 69 6.215 -12.305 1.200 1.00 0.00 O ATOM 1001 CB ARG A 69 5.492 -12.448 -1.520 1.00 0.00 C ATOM 1002 CG ARG A 69 5.371 -12.366 -3.043 1.00 0.00 C ATOM 1003 CD ARG A 69 4.128 -11.572 -3.452 1.00 0.00 C ATOM 1004 NE ARG A 69 3.813 -11.824 -4.876 1.00 0.00 N ATOM 1005 CZ ARG A 69 3.140 -12.894 -5.319 1.00 0.00 C ATOM 1006 NH1 ARG A 69 2.708 -13.820 -4.452 1.00 0.00 N ATOM 1007 NH2 ARG A 69 2.900 -13.040 -6.629 1.00 0.00 N ATOM 0 H ARG A 69 8.067 -10.721 -2.011 1.00 0.00 H new ATOM 0 HA ARG A 69 5.969 -10.360 -1.394 1.00 0.00 H new ATOM 0 HB2 ARG A 69 5.942 -13.400 -1.238 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.499 -12.419 -1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.262 -11.893 -3.457 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.319 -13.371 -3.462 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.282 -11.858 -2.828 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.297 -10.507 -3.291 1.00 0.00 H new ATOM 0 HE ARG A 69 4.128 -11.140 -5.563 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.892 -13.710 -3.455 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.195 -14.635 -4.789 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.230 -12.336 -7.289 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.387 -13.855 -6.966 1.00 0.00 H new ATOM 1021 N ILE A 70 6.118 -10.049 1.077 1.00 0.00 N ATOM 1022 CA ILE A 70 5.997 -9.864 2.513 1.00 0.00 C ATOM 1023 C ILE A 70 4.539 -10.071 2.928 1.00 0.00 C ATOM 1024 O ILE A 70 3.672 -10.281 2.081 1.00 0.00 O ATOM 1025 CB ILE A 70 6.568 -8.507 2.929 1.00 0.00 C ATOM 1026 CG1 ILE A 70 7.816 -8.164 2.112 1.00 0.00 C ATOM 1027 CG2 ILE A 70 6.838 -8.464 4.434 1.00 0.00 C ATOM 1028 CD1 ILE A 70 8.853 -9.286 2.198 1.00 0.00 C ATOM 0 H ILE A 70 6.119 -9.185 0.535 1.00 0.00 H new ATOM 0 HA ILE A 70 6.589 -10.609 3.044 1.00 0.00 H new ATOM 0 HB ILE A 70 5.822 -7.742 2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.539 -7.999 1.071 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.250 -7.234 2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.243 -7.489 4.703 1.00 0.00 H new ATOM 0 HG22 ILE A 70 5.907 -8.632 4.976 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.556 -9.241 4.697 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.730 -9.017 1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.145 -9.432 3.238 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.423 -10.209 1.809 1.00 0.00 H new ATOM 1040 N THR A 71 4.313 -10.003 4.232 1.00 0.00 N ATOM 1041 CA THR A 71 2.975 -10.180 4.770 1.00 0.00 C ATOM 1042 C THR A 71 2.686 -9.126 5.840 1.00 0.00 C ATOM 1043 O THR A 71 3.317 -9.120 6.896 1.00 0.00 O ATOM 1044 CB THR A 71 2.858 -11.616 5.284 1.00 0.00 C ATOM 1045 OG1 THR A 71 2.981 -12.417 4.112 1.00 0.00 O ATOM 1046 CG2 THR A 71 1.458 -11.938 5.810 1.00 0.00 C ATOM 0 H THR A 71 5.034 -9.828 4.932 1.00 0.00 H new ATOM 0 HA THR A 71 2.217 -10.032 4.001 1.00 0.00 H new ATOM 0 HB THR A 71 3.589 -11.777 6.076 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.146 -12.907 3.962 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.430 -12.969 6.162 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.215 -11.266 6.634 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.730 -11.808 5.009 1.00 0.00 H new ATOM 1054 N VAL A 72 1.734 -8.259 5.530 1.00 0.00 N ATOM 1055 CA VAL A 72 1.354 -7.202 6.452 1.00 0.00 C ATOM 1056 C VAL A 72 0.169 -7.671 7.298 1.00 0.00 C ATOM 1057 O VAL A 72 -0.974 -7.635 6.846 1.00 0.00 O ATOM 1058 CB VAL A 72 1.065 -5.913 5.680 1.00 0.00 C ATOM 1059 CG1 VAL A 72 0.669 -4.782 6.632 1.00 0.00 C ATOM 1060 CG2 VAL A 72 2.262 -5.510 4.817 1.00 0.00 C ATOM 0 H VAL A 72 1.214 -8.267 4.653 1.00 0.00 H new ATOM 0 HA VAL A 72 2.173 -6.979 7.136 1.00 0.00 H new ATOM 0 HB VAL A 72 0.222 -6.102 5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.469 -3.877 6.058 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.227 -5.068 7.184 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.482 -4.595 7.333 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.030 -4.591 4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.132 -5.348 5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.479 -6.304 4.102 1.00 0.00 H new ATOM 1070 N ARG A 73 0.482 -8.101 8.512 1.00 0.00 N ATOM 1071 CA ARG A 73 -0.542 -8.576 9.426 1.00 0.00 C ATOM 1072 C ARG A 73 -0.695 -7.610 10.602 1.00 0.00 C ATOM 1073 O ARG A 73 -1.277 -7.961 11.627 1.00 0.00 O ATOM 1074 CB ARG A 73 -0.201 -9.969 9.960 1.00 0.00 C ATOM 1075 CG ARG A 73 -0.503 -11.046 8.915 1.00 0.00 C ATOM 1076 CD ARG A 73 -0.940 -12.351 9.584 1.00 0.00 C ATOM 1077 NE ARG A 73 -0.917 -13.456 8.600 1.00 0.00 N ATOM 1078 CZ ARG A 73 -1.395 -14.685 8.839 1.00 0.00 C ATOM 1079 NH1 ARG A 73 -1.936 -14.973 10.030 1.00 0.00 N ATOM 1080 NH2 ARG A 73 -1.332 -15.625 7.886 1.00 0.00 N ATOM 0 H ARG A 73 1.431 -8.130 8.884 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.480 -8.631 8.873 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.853 -10.009 10.235 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.774 -10.165 10.866 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.287 -10.697 8.244 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.382 -11.224 8.305 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.277 -12.582 10.418 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.943 -12.240 9.996 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.512 -13.271 7.682 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.984 -14.257 10.755 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.300 -15.908 10.212 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.920 -15.405 6.979 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.696 -16.561 8.068 1.00 0.00 H new ATOM 1094 N SER A 74 -0.161 -6.412 10.415 1.00 0.00 N ATOM 1095 CA SER A 74 -0.230 -5.392 11.448 1.00 0.00 C ATOM 1096 C SER A 74 0.349 -4.076 10.924 1.00 0.00 C ATOM 1097 O SER A 74 1.126 -4.072 9.970 1.00 0.00 O ATOM 1098 CB SER A 74 0.515 -5.834 12.709 1.00 0.00 C ATOM 1099 OG SER A 74 0.792 -4.739 13.577 1.00 0.00 O ATOM 0 H SER A 74 0.321 -6.125 9.563 1.00 0.00 H new ATOM 0 HA SER A 74 -1.277 -5.242 11.711 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.081 -6.576 13.241 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.450 -6.318 12.427 1.00 0.00 H new ATOM 0 HG SER A 74 1.267 -5.063 14.371 1.00 0.00 H new ATOM 1105 N ASP A 75 -0.052 -2.991 11.570 1.00 0.00 N ATOM 1106 CA ASP A 75 0.417 -1.672 11.181 1.00 0.00 C ATOM 1107 C ASP A 75 1.941 -1.695 11.054 1.00 0.00 C ATOM 1108 O ASP A 75 2.500 -1.093 10.138 1.00 0.00 O ATOM 1109 CB ASP A 75 0.046 -0.624 12.232 1.00 0.00 C ATOM 1110 CG ASP A 75 0.442 -0.978 13.667 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -0.219 -1.874 14.234 1.00 0.00 O ATOM 1112 OD2 ASP A 75 1.398 -0.344 14.164 1.00 0.00 O ATOM 0 H ASP A 75 -0.697 -2.998 12.360 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.052 -1.413 10.232 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.518 0.321 11.963 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.031 -0.463 12.198 1.00 0.00 H new ATOM 1117 N GLU A 76 2.571 -2.396 11.985 1.00 0.00 N ATOM 1118 CA GLU A 76 4.020 -2.505 11.989 1.00 0.00 C ATOM 1119 C GLU A 76 4.532 -2.812 10.580 1.00 0.00 C ATOM 1120 O GLU A 76 5.346 -2.068 10.036 1.00 0.00 O ATOM 1121 CB GLU A 76 4.487 -3.566 12.986 1.00 0.00 C ATOM 1122 CG GLU A 76 4.652 -2.969 14.385 1.00 0.00 C ATOM 1123 CD GLU A 76 5.053 -4.045 15.397 1.00 0.00 C ATOM 1124 OE1 GLU A 76 6.002 -4.794 15.081 1.00 0.00 O ATOM 1125 OE2 GLU A 76 4.403 -4.093 16.463 1.00 0.00 O ATOM 0 H GLU A 76 2.104 -2.895 12.743 1.00 0.00 H new ATOM 0 HA GLU A 76 4.437 -1.549 12.306 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.766 -4.383 13.018 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.434 -3.990 12.654 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.409 -2.185 14.363 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.718 -2.501 14.697 1.00 0.00 H new ATOM 1132 N GLU A 77 4.034 -3.910 10.031 1.00 0.00 N ATOM 1133 CA GLU A 77 4.431 -4.326 8.696 1.00 0.00 C ATOM 1134 C GLU A 77 4.101 -3.231 7.679 1.00 0.00 C ATOM 1135 O GLU A 77 4.921 -2.908 6.822 1.00 0.00 O ATOM 1136 CB GLU A 77 3.765 -5.649 8.313 1.00 0.00 C ATOM 1137 CG GLU A 77 4.494 -6.834 8.949 1.00 0.00 C ATOM 1138 CD GLU A 77 3.538 -7.674 9.799 1.00 0.00 C ATOM 1139 OE1 GLU A 77 3.316 -7.277 10.963 1.00 0.00 O ATOM 1140 OE2 GLU A 77 3.051 -8.693 9.265 1.00 0.00 O ATOM 0 H GLU A 77 3.359 -4.525 10.486 1.00 0.00 H new ATOM 0 HA GLU A 77 5.509 -4.486 8.692 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.724 -5.643 8.635 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.763 -5.758 7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.935 -7.455 8.169 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.314 -6.471 9.569 1.00 0.00 H new ATOM 1147 N MET A 78 2.898 -2.690 7.809 1.00 0.00 N ATOM 1148 CA MET A 78 2.450 -1.639 6.912 1.00 0.00 C ATOM 1149 C MET A 78 3.533 -0.573 6.732 1.00 0.00 C ATOM 1150 O MET A 78 4.116 -0.451 5.656 1.00 0.00 O ATOM 1151 CB MET A 78 1.184 -0.991 7.477 1.00 0.00 C ATOM 1152 CG MET A 78 -0.008 -1.209 6.543 1.00 0.00 C ATOM 1153 SD MET A 78 -0.148 0.158 5.404 1.00 0.00 S ATOM 1154 CE MET A 78 -0.885 1.380 6.475 1.00 0.00 C ATOM 0 H MET A 78 2.220 -2.960 8.522 1.00 0.00 H new ATOM 0 HA MET A 78 2.239 -2.083 5.939 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.963 -1.411 8.458 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.350 0.077 7.618 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.117 -2.141 5.992 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.925 -1.303 7.125 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.879 1.634 6.108 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.963 0.979 7.485 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.263 2.275 6.487 1.00 0.00 H new ATOM 1164 N LYS A 79 3.768 0.172 7.802 1.00 0.00 N ATOM 1165 CA LYS A 79 4.771 1.223 7.776 1.00 0.00 C ATOM 1166 C LYS A 79 6.025 0.709 7.066 1.00 0.00 C ATOM 1167 O LYS A 79 6.619 1.418 6.255 1.00 0.00 O ATOM 1168 CB LYS A 79 5.035 1.747 9.189 1.00 0.00 C ATOM 1169 CG LYS A 79 3.891 2.645 9.664 1.00 0.00 C ATOM 1170 CD LYS A 79 3.061 1.949 10.744 1.00 0.00 C ATOM 1171 CE LYS A 79 3.107 2.730 12.059 1.00 0.00 C ATOM 1172 NZ LYS A 79 4.444 2.618 12.682 1.00 0.00 N ATOM 0 H LYS A 79 3.281 0.069 8.692 1.00 0.00 H new ATOM 0 HA LYS A 79 4.410 2.079 7.206 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.153 0.909 9.875 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.971 2.306 9.205 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.295 3.578 10.056 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.252 2.904 8.820 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.028 1.854 10.409 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.438 0.939 10.903 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.872 3.778 11.875 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.348 2.349 12.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.458 3.154 13.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.654 1.618 12.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.162 3.003 12.035 1.00 0.00 H new ATOM 1186 N ALA A 80 6.391 -0.521 7.397 1.00 0.00 N ATOM 1187 CA ALA A 80 7.564 -1.138 6.801 1.00 0.00 C ATOM 1188 C ALA A 80 7.385 -1.203 5.283 1.00 0.00 C ATOM 1189 O ALA A 80 8.211 -0.685 4.535 1.00 0.00 O ATOM 1190 CB ALA A 80 7.784 -2.519 7.422 1.00 0.00 C ATOM 0 H ALA A 80 5.896 -1.106 8.070 1.00 0.00 H new ATOM 0 HA ALA A 80 8.455 -0.544 7.002 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.664 -2.983 6.976 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.934 -2.415 8.497 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.911 -3.144 7.237 1.00 0.00 H new ATOM 1196 N MET A 81 6.300 -1.846 4.874 1.00 0.00 N ATOM 1197 CA MET A 81 6.003 -1.985 3.459 1.00 0.00 C ATOM 1198 C MET A 81 6.078 -0.633 2.747 1.00 0.00 C ATOM 1199 O MET A 81 6.592 -0.542 1.633 1.00 0.00 O ATOM 1200 CB MET A 81 4.602 -2.576 3.288 1.00 0.00 C ATOM 1201 CG MET A 81 4.191 -2.593 1.814 1.00 0.00 C ATOM 1202 SD MET A 81 2.517 -3.193 1.654 1.00 0.00 S ATOM 1203 CE MET A 81 1.617 -1.738 2.162 1.00 0.00 C ATOM 0 H MET A 81 5.617 -2.276 5.498 1.00 0.00 H new ATOM 0 HA MET A 81 6.744 -2.649 3.015 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.580 -3.590 3.687 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.884 -1.991 3.863 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.268 -1.590 1.395 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.870 -3.229 1.246 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.167 -1.911 3.140 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.300 -0.890 2.222 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.834 -1.522 1.435 1.00 0.00 H new ATOM 1213 N LEU A 82 5.557 0.383 3.419 1.00 0.00 N ATOM 1214 CA LEU A 82 5.559 1.726 2.864 1.00 0.00 C ATOM 1215 C LEU A 82 6.978 2.294 2.919 1.00 0.00 C ATOM 1216 O LEU A 82 7.404 3.000 2.006 1.00 0.00 O ATOM 1217 CB LEU A 82 4.519 2.599 3.571 1.00 0.00 C ATOM 1218 CG LEU A 82 3.057 2.323 3.213 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.137 2.624 4.397 1.00 0.00 C ATOM 1220 CD2 LEU A 82 2.646 3.094 1.957 1.00 0.00 C ATOM 0 H LEU A 82 5.131 0.303 4.342 1.00 0.00 H new ATOM 0 HA LEU A 82 5.264 1.705 1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.639 2.473 4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.737 3.643 3.346 1.00 0.00 H new ATOM 0 HG LEU A 82 2.954 1.262 2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.104 2.420 4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.414 1.995 5.243 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.236 3.673 4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.603 2.880 1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.768 4.163 2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.274 2.788 1.120 1.00 0.00 H new ATOM 1232 N SER A 83 7.672 1.965 3.999 1.00 0.00 N ATOM 1233 CA SER A 83 9.035 2.434 4.184 1.00 0.00 C ATOM 1234 C SER A 83 9.921 1.930 3.044 1.00 0.00 C ATOM 1235 O SER A 83 10.790 2.655 2.561 1.00 0.00 O ATOM 1236 CB SER A 83 9.595 1.978 5.533 1.00 0.00 C ATOM 1237 OG SER A 83 9.246 2.874 6.586 1.00 0.00 O ATOM 0 H SER A 83 7.316 1.379 4.755 1.00 0.00 H new ATOM 0 HA SER A 83 9.026 3.524 4.174 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.218 0.982 5.764 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.680 1.900 5.468 1.00 0.00 H new ATOM 0 HG SER A 83 8.311 2.730 6.842 1.00 0.00 H new ATOM 1243 N TYR A 84 9.672 0.691 2.647 1.00 0.00 N ATOM 1244 CA TYR A 84 10.437 0.081 1.572 1.00 0.00 C ATOM 1245 C TYR A 84 10.055 0.682 0.218 1.00 0.00 C ATOM 1246 O TYR A 84 10.881 1.314 -0.440 1.00 0.00 O ATOM 1247 CB TYR A 84 10.067 -1.403 1.580 1.00 0.00 C ATOM 1248 CG TYR A 84 9.968 -2.028 0.187 1.00 0.00 C ATOM 1249 CD1 TYR A 84 11.063 -2.017 -0.653 1.00 0.00 C ATOM 1250 CD2 TYR A 84 8.784 -2.601 -0.229 1.00 0.00 C ATOM 1251 CE1 TYR A 84 10.970 -2.605 -1.964 1.00 0.00 C ATOM 1252 CE2 TYR A 84 8.691 -3.189 -1.541 1.00 0.00 C ATOM 1253 CZ TYR A 84 9.788 -3.162 -2.344 1.00 0.00 C ATOM 1254 OH TYR A 84 9.700 -3.717 -3.582 1.00 0.00 O ATOM 0 H TYR A 84 8.951 0.092 3.050 1.00 0.00 H new ATOM 0 HA TYR A 84 11.504 0.246 1.719 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.811 -1.949 2.160 1.00 0.00 H new ATOM 0 HB3 TYR A 84 9.112 -1.526 2.091 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.989 -1.567 -0.327 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.927 -2.609 0.429 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.819 -2.604 -2.631 1.00 0.00 H new ATOM 0 HE2 TYR A 84 7.770 -3.641 -1.879 1.00 0.00 H new ATOM 0 HH TYR A 84 9.019 -4.422 -3.577 1.00 0.00 H new ATOM 1264 N TYR A 85 8.804 0.464 -0.158 1.00 0.00 N ATOM 1265 CA TYR A 85 8.302 0.977 -1.422 1.00 0.00 C ATOM 1266 C TYR A 85 8.914 2.342 -1.742 1.00 0.00 C ATOM 1267 O TYR A 85 9.351 2.583 -2.866 1.00 0.00 O ATOM 1268 CB TYR A 85 6.792 1.138 -1.243 1.00 0.00 C ATOM 1269 CG TYR A 85 6.056 1.567 -2.514 1.00 0.00 C ATOM 1270 CD1 TYR A 85 5.918 0.681 -3.563 1.00 0.00 C ATOM 1271 CD2 TYR A 85 5.530 2.839 -2.610 1.00 0.00 C ATOM 1272 CE1 TYR A 85 5.226 1.085 -4.760 1.00 0.00 C ATOM 1273 CE2 TYR A 85 4.838 3.242 -3.807 1.00 0.00 C ATOM 1274 CZ TYR A 85 4.720 2.346 -4.822 1.00 0.00 C ATOM 1275 OH TYR A 85 4.066 2.727 -5.952 1.00 0.00 O ATOM 0 H TYR A 85 8.123 -0.061 0.390 1.00 0.00 H new ATOM 0 HA TYR A 85 8.556 0.300 -2.238 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.375 0.193 -0.896 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.606 1.875 -0.462 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.329 -0.315 -3.487 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.637 3.532 -1.788 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.112 0.402 -5.589 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.422 4.235 -3.896 1.00 0.00 H new ATOM 0 HH TYR A 85 4.629 2.544 -6.733 1.00 0.00 H new ATOM 1285 N TYR A 86 8.926 3.201 -0.733 1.00 0.00 N ATOM 1286 CA TYR A 86 9.477 4.536 -0.892 1.00 0.00 C ATOM 1287 C TYR A 86 11.003 4.491 -0.993 1.00 0.00 C ATOM 1288 O TYR A 86 11.590 5.128 -1.866 1.00 0.00 O ATOM 1289 CB TYR A 86 9.084 5.307 0.369 1.00 0.00 C ATOM 1290 CG TYR A 86 7.573 5.421 0.584 1.00 0.00 C ATOM 1291 CD1 TYR A 86 6.720 5.414 -0.501 1.00 0.00 C ATOM 1292 CD2 TYR A 86 7.064 5.532 1.862 1.00 0.00 C ATOM 1293 CE1 TYR A 86 5.298 5.521 -0.299 1.00 0.00 C ATOM 1294 CE2 TYR A 86 5.643 5.639 2.064 1.00 0.00 C ATOM 1295 CZ TYR A 86 4.830 5.629 0.974 1.00 0.00 C ATOM 1296 OH TYR A 86 3.487 5.730 1.164 1.00 0.00 O ATOM 0 H TYR A 86 8.563 2.998 0.198 1.00 0.00 H new ATOM 0 HA TYR A 86 9.098 5.002 -1.802 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.528 4.816 1.235 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.510 6.309 0.317 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.119 5.328 -1.501 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.732 5.539 2.711 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.619 5.516 -1.139 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.232 5.725 3.059 1.00 0.00 H new ATOM 0 HH TYR A 86 3.036 5.773 0.295 1.00 0.00 H new ATOM 1306 N SER A 87 11.602 3.731 -0.088 1.00 0.00 N ATOM 1307 CA SER A 87 13.048 3.594 -0.065 1.00 0.00 C ATOM 1308 C SER A 87 13.554 3.153 -1.439 1.00 0.00 C ATOM 1309 O SER A 87 14.671 3.489 -1.831 1.00 0.00 O ATOM 1310 CB SER A 87 13.490 2.598 1.009 1.00 0.00 C ATOM 1311 OG SER A 87 14.261 3.222 2.032 1.00 0.00 O ATOM 0 H SER A 87 11.112 3.204 0.635 1.00 0.00 H new ATOM 0 HA SER A 87 13.480 4.565 0.179 1.00 0.00 H new ATOM 0 HB2 SER A 87 12.611 2.129 1.452 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.076 1.803 0.547 1.00 0.00 H new ATOM 0 HG SER A 87 14.522 2.553 2.699 1.00 0.00 H new ATOM 1317 N THR A 88 12.709 2.406 -2.134 1.00 0.00 N ATOM 1318 CA THR A 88 13.057 1.915 -3.457 1.00 0.00 C ATOM 1319 C THR A 88 12.503 2.849 -4.535 1.00 0.00 C ATOM 1320 O THR A 88 13.224 3.244 -5.449 1.00 0.00 O ATOM 1321 CB THR A 88 12.546 0.478 -3.577 1.00 0.00 C ATOM 1322 OG1 THR A 88 13.520 -0.170 -4.391 1.00 0.00 O ATOM 1323 CG2 THR A 88 11.255 0.381 -4.392 1.00 0.00 C ATOM 0 H THR A 88 11.784 2.129 -1.806 1.00 0.00 H new ATOM 0 HA THR A 88 14.137 1.905 -3.604 1.00 0.00 H new ATOM 0 HB THR A 88 12.377 0.069 -2.581 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.268 -1.108 -4.519 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.936 -0.660 -4.446 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.477 0.975 -3.913 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.431 0.759 -5.399 1.00 0.00 H new ATOM 1331 N VAL A 89 11.226 3.174 -4.392 1.00 0.00 N ATOM 1332 CA VAL A 89 10.567 4.054 -5.342 1.00 0.00 C ATOM 1333 C VAL A 89 11.457 5.270 -5.607 1.00 0.00 C ATOM 1334 O VAL A 89 11.681 5.641 -6.758 1.00 0.00 O ATOM 1335 CB VAL A 89 9.176 4.431 -4.829 1.00 0.00 C ATOM 1336 CG1 VAL A 89 8.702 5.748 -5.447 1.00 0.00 C ATOM 1337 CG2 VAL A 89 8.171 3.308 -5.093 1.00 0.00 C ATOM 0 H VAL A 89 10.631 2.844 -3.633 1.00 0.00 H new ATOM 0 HA VAL A 89 10.420 3.545 -6.295 1.00 0.00 H new ATOM 0 HB VAL A 89 9.244 4.573 -3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.711 5.993 -5.066 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.399 6.544 -5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.659 5.646 -6.531 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.190 3.602 -4.719 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.109 3.120 -6.165 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.497 2.401 -4.584 1.00 0.00 H new ATOM 1347 N MET A 90 11.941 5.856 -4.522 1.00 0.00 N ATOM 1348 CA MET A 90 12.801 7.023 -4.622 1.00 0.00 C ATOM 1349 C MET A 90 14.050 6.713 -5.449 1.00 0.00 C ATOM 1350 O MET A 90 14.585 7.591 -6.125 1.00 0.00 O ATOM 1351 CB MET A 90 13.216 7.474 -3.220 1.00 0.00 C ATOM 1352 CG MET A 90 14.337 6.591 -2.669 1.00 0.00 C ATOM 1353 SD MET A 90 14.825 7.163 -1.051 1.00 0.00 S ATOM 1354 CE MET A 90 16.058 5.936 -0.647 1.00 0.00 C ATOM 0 H MET A 90 11.754 5.544 -3.569 1.00 0.00 H new ATOM 0 HA MET A 90 12.246 7.819 -5.119 1.00 0.00 H new ATOM 0 HB2 MET A 90 13.548 8.512 -3.251 1.00 0.00 H new ATOM 0 HB3 MET A 90 12.356 7.435 -2.552 1.00 0.00 H new ATOM 0 HG2 MET A 90 14.001 5.556 -2.612 1.00 0.00 H new ATOM 0 HG3 MET A 90 15.192 6.611 -3.344 1.00 0.00 H new ATOM 0 HE1 MET A 90 16.936 6.427 -0.227 1.00 0.00 H new ATOM 0 HE2 MET A 90 15.650 5.236 0.082 1.00 0.00 H new ATOM 0 HE3 MET A 90 16.342 5.395 -1.550 1.00 0.00 H new ATOM 1364 N GLU A 91 14.479 5.462 -5.369 1.00 0.00 N ATOM 1365 CA GLU A 91 15.656 5.026 -6.101 1.00 0.00 C ATOM 1366 C GLU A 91 15.328 4.871 -7.588 1.00 0.00 C ATOM 1367 O GLU A 91 16.210 4.991 -8.437 1.00 0.00 O ATOM 1368 CB GLU A 91 16.209 3.722 -5.523 1.00 0.00 C ATOM 1369 CG GLU A 91 17.023 3.986 -4.255 1.00 0.00 C ATOM 1370 CD GLU A 91 18.441 4.447 -4.599 1.00 0.00 C ATOM 1371 OE1 GLU A 91 19.272 3.558 -4.885 1.00 0.00 O ATOM 1372 OE2 GLU A 91 18.661 5.677 -4.569 1.00 0.00 O ATOM 0 H GLU A 91 14.032 4.736 -4.808 1.00 0.00 H new ATOM 0 HA GLU A 91 16.429 5.788 -5.996 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.387 3.043 -5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.836 3.228 -6.265 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.526 4.746 -3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.068 3.079 -3.652 1.00 0.00 H new ATOM 1379 N GLN A 92 14.058 4.608 -7.857 1.00 0.00 N ATOM 1380 CA GLN A 92 13.603 4.436 -9.226 1.00 0.00 C ATOM 1381 C GLN A 92 13.499 5.793 -9.925 1.00 0.00 C ATOM 1382 O GLN A 92 13.502 5.865 -11.153 1.00 0.00 O ATOM 1383 CB GLN A 92 12.267 3.693 -9.271 1.00 0.00 C ATOM 1384 CG GLN A 92 12.468 2.190 -9.066 1.00 0.00 C ATOM 1385 CD GLN A 92 11.473 1.385 -9.904 1.00 0.00 C ATOM 1386 OE1 GLN A 92 11.792 0.861 -10.960 1.00 0.00 O ATOM 1387 NE2 GLN A 92 10.254 1.315 -9.378 1.00 0.00 N ATOM 0 H GLN A 92 13.329 4.510 -7.150 1.00 0.00 H new ATOM 0 HA GLN A 92 14.336 3.830 -9.758 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.604 4.083 -8.499 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.780 3.871 -10.230 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.486 1.915 -9.340 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.344 1.943 -8.012 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.054 1.777 -8.491 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.519 0.800 -9.862 1.00 0.00 H new ATOM 1396 N GLN A 93 13.410 6.836 -9.113 1.00 0.00 N ATOM 1397 CA GLN A 93 13.305 8.187 -9.639 1.00 0.00 C ATOM 1398 C GLN A 93 14.696 8.748 -9.942 1.00 0.00 C ATOM 1399 O GLN A 93 14.905 9.368 -10.984 1.00 0.00 O ATOM 1400 CB GLN A 93 12.548 9.096 -8.668 1.00 0.00 C ATOM 1401 CG GLN A 93 11.139 8.561 -8.403 1.00 0.00 C ATOM 1402 CD GLN A 93 10.130 9.706 -8.291 1.00 0.00 C ATOM 1403 OE1 GLN A 93 10.214 10.711 -8.979 1.00 0.00 O ATOM 1404 NE2 GLN A 93 9.175 9.500 -7.390 1.00 0.00 N ATOM 0 H GLN A 93 13.408 6.773 -8.095 1.00 0.00 H new ATOM 0 HA GLN A 93 12.738 8.151 -10.569 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.096 9.168 -7.729 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.487 10.103 -9.080 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.844 7.889 -9.209 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.135 7.977 -7.483 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.163 8.636 -6.848 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.454 10.206 -7.241 1.00 0.00 H new ATOM 1413 N VAL A 94 15.611 8.509 -9.014 1.00 0.00 N ATOM 1414 CA VAL A 94 16.976 8.983 -9.170 1.00 0.00 C ATOM 1415 C VAL A 94 17.611 8.304 -10.385 1.00 0.00 C ATOM 1416 O VAL A 94 18.459 8.891 -11.056 1.00 0.00 O ATOM 1417 CB VAL A 94 17.761 8.750 -7.877 1.00 0.00 C ATOM 1418 CG1 VAL A 94 16.899 9.055 -6.650 1.00 0.00 C ATOM 1419 CG2 VAL A 94 18.312 7.324 -7.819 1.00 0.00 C ATOM 0 H VAL A 94 15.434 7.994 -8.152 1.00 0.00 H new ATOM 0 HA VAL A 94 16.989 10.057 -9.354 1.00 0.00 H new ATOM 0 HB VAL A 94 18.608 9.436 -7.871 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.481 8.881 -5.745 1.00 0.00 H new ATOM 0 HG12 VAL A 94 16.578 10.096 -6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 94 16.024 8.405 -6.649 1.00 0.00 H new ATOM 0 HG21 VAL A 94 18.865 7.185 -6.890 1.00 0.00 H new ATOM 0 HG22 VAL A 94 17.487 6.613 -7.859 1.00 0.00 H new ATOM 0 HG23 VAL A 94 18.977 7.156 -8.666 1.00 0.00 H new ATOM 1429 N ASN A 95 17.177 7.077 -10.632 1.00 0.00 N ATOM 1430 CA ASN A 95 17.692 6.312 -11.755 1.00 0.00 C ATOM 1431 C ASN A 95 17.068 6.834 -13.051 1.00 0.00 C ATOM 1432 O ASN A 95 17.779 7.278 -13.951 1.00 0.00 O ATOM 1433 CB ASN A 95 17.336 4.830 -11.622 1.00 0.00 C ATOM 1434 CG ASN A 95 18.547 4.014 -11.165 1.00 0.00 C ATOM 1435 OD1 ASN A 95 19.010 3.110 -11.841 1.00 0.00 O ATOM 1436 ND2 ASN A 95 19.032 4.382 -9.982 1.00 0.00 N ATOM 0 H ASN A 95 16.474 6.593 -10.073 1.00 0.00 H new ATOM 0 HA ASN A 95 18.776 6.422 -11.769 1.00 0.00 H new ATOM 0 HB2 ASN A 95 16.522 4.711 -10.907 1.00 0.00 H new ATOM 0 HB3 ASN A 95 16.978 4.451 -12.579 1.00 0.00 H new ATOM 0 HD21 ASN A 95 19.840 3.898 -9.589 1.00 0.00 H new ATOM 0 HD22 ASN A 95 18.596 5.148 -9.468 1.00 0.00 H new ATOM 1443 N GLY A 96 15.746 6.763 -13.104 1.00 0.00 N ATOM 1444 CA GLY A 96 15.019 7.223 -14.275 1.00 0.00 C ATOM 1445 C GLY A 96 13.756 6.389 -14.497 1.00 0.00 C ATOM 1446 O GLY A 96 12.676 6.937 -14.716 1.00 0.00 O ATOM 0 H GLY A 96 15.160 6.394 -12.355 1.00 0.00 H new ATOM 0 HA2 GLY A 96 14.750 8.272 -14.152 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.660 7.160 -15.154 1.00 0.00 H new ATOM 1450 N GLN A 97 13.932 5.077 -14.434 1.00 0.00 N ATOM 1451 CA GLN A 97 12.819 4.163 -14.626 1.00 0.00 C ATOM 1452 C GLN A 97 11.559 4.711 -13.954 1.00 0.00 C ATOM 1453 O GLN A 97 11.645 5.453 -12.976 1.00 0.00 O ATOM 1454 CB GLN A 97 13.159 2.767 -14.097 1.00 0.00 C ATOM 1455 CG GLN A 97 13.749 2.844 -12.688 1.00 0.00 C ATOM 1456 CD GLN A 97 14.640 1.634 -12.400 1.00 0.00 C ATOM 1457 OE1 GLN A 97 14.196 0.603 -11.920 1.00 0.00 O ATOM 1458 NE2 GLN A 97 15.918 1.815 -12.719 1.00 0.00 N ATOM 0 H GLN A 97 14.828 4.625 -14.253 1.00 0.00 H new ATOM 0 HA GLN A 97 12.627 4.075 -15.695 1.00 0.00 H new ATOM 0 HB2 GLN A 97 12.261 2.150 -14.086 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.870 2.283 -14.767 1.00 0.00 H new ATOM 0 HG2 GLN A 97 14.329 3.761 -12.582 1.00 0.00 H new ATOM 0 HG3 GLN A 97 12.944 2.890 -11.955 1.00 0.00 H new ATOM 0 HE21 GLN A 97 16.223 2.703 -13.117 1.00 0.00 H new ATOM 0 HE22 GLN A 97 16.593 1.066 -12.565 1.00 0.00 H new ATOM 1467 N LEU A 98 10.417 4.326 -14.506 1.00 0.00 N ATOM 1468 CA LEU A 98 9.141 4.770 -13.972 1.00 0.00 C ATOM 1469 C LEU A 98 8.865 4.047 -12.652 1.00 0.00 C ATOM 1470 O LEU A 98 9.356 2.941 -12.432 1.00 0.00 O ATOM 1471 CB LEU A 98 8.034 4.593 -15.013 1.00 0.00 C ATOM 1472 CG LEU A 98 7.823 5.765 -15.974 1.00 0.00 C ATOM 1473 CD1 LEU A 98 6.836 5.394 -17.083 1.00 0.00 C ATOM 1474 CD2 LEU A 98 7.389 7.022 -15.218 1.00 0.00 C ATOM 0 H LEU A 98 10.349 3.712 -15.317 1.00 0.00 H new ATOM 0 HA LEU A 98 9.172 5.837 -13.751 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.255 3.702 -15.601 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.097 4.405 -14.489 1.00 0.00 H new ATOM 0 HG LEU A 98 8.776 5.990 -16.453 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.704 6.244 -17.752 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.224 4.546 -17.647 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.876 5.127 -16.641 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.246 7.840 -15.924 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.453 6.827 -14.694 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.158 7.296 -14.496 1.00 0.00 H new ATOM 1486 N ILE A 99 8.081 4.702 -11.808 1.00 0.00 N ATOM 1487 CA ILE A 99 7.734 4.135 -10.516 1.00 0.00 C ATOM 1488 C ILE A 99 6.648 3.074 -10.704 1.00 0.00 C ATOM 1489 O ILE A 99 5.767 3.226 -11.550 1.00 0.00 O ATOM 1490 CB ILE A 99 7.350 5.241 -9.532 1.00 0.00 C ATOM 1491 CG1 ILE A 99 8.427 6.327 -9.478 1.00 0.00 C ATOM 1492 CG2 ILE A 99 7.049 4.663 -8.147 1.00 0.00 C ATOM 1493 CD1 ILE A 99 9.763 5.750 -9.006 1.00 0.00 C ATOM 0 H ILE A 99 7.676 5.620 -11.994 1.00 0.00 H new ATOM 0 HA ILE A 99 8.596 3.634 -10.076 1.00 0.00 H new ATOM 0 HB ILE A 99 6.435 5.713 -9.890 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.548 6.774 -10.465 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.112 7.124 -8.804 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.779 5.471 -7.467 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.222 3.957 -8.219 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.932 4.149 -7.767 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.511 6.542 -8.976 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.644 5.326 -8.009 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.087 4.971 -9.696 1.00 0.00 H new ATOM 1505 N GLU A 100 6.745 2.024 -9.902 1.00 0.00 N ATOM 1506 CA GLU A 100 5.782 0.939 -9.970 1.00 0.00 C ATOM 1507 C GLU A 100 4.802 1.026 -8.798 1.00 0.00 C ATOM 1508 O GLU A 100 5.149 1.524 -7.729 1.00 0.00 O ATOM 1509 CB GLU A 100 6.487 -0.419 -9.995 1.00 0.00 C ATOM 1510 CG GLU A 100 7.349 -0.566 -11.251 1.00 0.00 C ATOM 1511 CD GLU A 100 6.507 -1.022 -12.444 1.00 0.00 C ATOM 1512 OE1 GLU A 100 5.749 -1.999 -12.263 1.00 0.00 O ATOM 1513 OE2 GLU A 100 6.640 -0.383 -13.510 1.00 0.00 O ATOM 0 H GLU A 100 7.476 1.902 -9.201 1.00 0.00 H new ATOM 0 HA GLU A 100 5.219 1.036 -10.898 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.110 -0.526 -9.107 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.746 -1.218 -9.962 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.827 0.386 -11.482 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.146 -1.287 -11.067 1.00 0.00 H new ATOM 1520 N PRO A 101 3.564 0.520 -9.046 1.00 0.00 N ATOM 1521 CA PRO A 101 2.531 0.535 -8.024 1.00 0.00 C ATOM 1522 C PRO A 101 2.793 -0.534 -6.962 1.00 0.00 C ATOM 1523 O PRO A 101 3.246 -1.633 -7.281 1.00 0.00 O ATOM 1524 CB PRO A 101 1.229 0.317 -8.778 1.00 0.00 C ATOM 1525 CG PRO A 101 1.620 -0.274 -10.123 1.00 0.00 C ATOM 1526 CD PRO A 101 3.117 -0.079 -10.300 1.00 0.00 C ATOM 0 HA PRO A 101 2.503 1.473 -7.469 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.570 -0.358 -8.232 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.690 1.256 -8.906 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.366 -1.333 -10.163 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.073 0.216 -10.929 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.620 -1.027 -10.487 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.334 0.570 -11.148 1.00 0.00 H new ATOM 1534 N LEU A 102 2.498 -0.176 -5.721 1.00 0.00 N ATOM 1535 CA LEU A 102 2.697 -1.092 -4.611 1.00 0.00 C ATOM 1536 C LEU A 102 1.862 -2.353 -4.840 1.00 0.00 C ATOM 1537 O LEU A 102 0.744 -2.461 -4.339 1.00 0.00 O ATOM 1538 CB LEU A 102 2.404 -0.393 -3.282 1.00 0.00 C ATOM 1539 CG LEU A 102 2.687 -1.209 -2.018 1.00 0.00 C ATOM 1540 CD1 LEU A 102 4.058 -1.883 -2.097 1.00 0.00 C ATOM 1541 CD2 LEU A 102 2.544 -0.344 -0.764 1.00 0.00 C ATOM 0 H LEU A 102 2.123 0.736 -5.460 1.00 0.00 H new ATOM 0 HA LEU A 102 3.740 -1.406 -4.557 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.993 0.523 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.355 -0.098 -3.273 1.00 0.00 H new ATOM 0 HG LEU A 102 1.942 -2.002 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.235 -2.456 -1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.086 -2.551 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.832 -1.123 -2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.750 -0.948 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.251 0.484 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.529 0.048 -0.707 1.00 0.00 H new ATOM 1553 N GLN A 103 2.438 -3.276 -5.597 1.00 0.00 N ATOM 1554 CA GLN A 103 1.761 -4.526 -5.898 1.00 0.00 C ATOM 1555 C GLN A 103 1.494 -5.308 -4.611 1.00 0.00 C ATOM 1556 O GLN A 103 2.419 -5.845 -4.003 1.00 0.00 O ATOM 1557 CB GLN A 103 2.571 -5.362 -6.891 1.00 0.00 C ATOM 1558 CG GLN A 103 1.807 -6.626 -7.294 1.00 0.00 C ATOM 1559 CD GLN A 103 2.597 -7.439 -8.321 1.00 0.00 C ATOM 1560 OE1 GLN A 103 3.610 -7.007 -8.847 1.00 0.00 O ATOM 1561 NE2 GLN A 103 2.078 -8.636 -8.577 1.00 0.00 N ATOM 0 H GLN A 103 3.366 -3.183 -6.011 1.00 0.00 H new ATOM 0 HA GLN A 103 0.803 -4.296 -6.364 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.791 -4.768 -7.778 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.527 -5.637 -6.446 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.615 -7.236 -6.411 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.837 -6.352 -7.709 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.227 -8.935 -8.101 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.531 -9.255 -9.249 1.00 0.00 H new ATOM 1570 N ILE A 104 0.224 -5.348 -4.233 1.00 0.00 N ATOM 1571 CA ILE A 104 -0.176 -6.057 -3.029 1.00 0.00 C ATOM 1572 C ILE A 104 -1.214 -7.121 -3.391 1.00 0.00 C ATOM 1573 O ILE A 104 -1.838 -7.051 -4.449 1.00 0.00 O ATOM 1574 CB ILE A 104 -0.653 -5.070 -1.961 1.00 0.00 C ATOM 1575 CG1 ILE A 104 -1.903 -4.321 -2.425 1.00 0.00 C ATOM 1576 CG2 ILE A 104 0.472 -4.115 -1.557 1.00 0.00 C ATOM 1577 CD1 ILE A 104 -2.579 -3.604 -1.255 1.00 0.00 C ATOM 0 H ILE A 104 -0.541 -4.901 -4.739 1.00 0.00 H new ATOM 0 HA ILE A 104 0.676 -6.578 -2.592 1.00 0.00 H new ATOM 0 HB ILE A 104 -0.930 -5.636 -1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.633 -3.596 -3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.603 -5.022 -2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.107 -3.424 -0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.308 -4.687 -1.156 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.803 -3.553 -2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.465 -3.079 -1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.870 -4.334 -0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.885 -2.887 -0.818 1.00 0.00 H new ATOM 1589 N PHE A 105 -1.368 -8.081 -2.491 1.00 0.00 N ATOM 1590 CA PHE A 105 -2.320 -9.159 -2.701 1.00 0.00 C ATOM 1591 C PHE A 105 -3.248 -9.313 -1.495 1.00 0.00 C ATOM 1592 O PHE A 105 -2.786 -9.423 -0.361 1.00 0.00 O ATOM 1593 CB PHE A 105 -1.509 -10.445 -2.874 1.00 0.00 C ATOM 1594 CG PHE A 105 -0.460 -10.375 -3.985 1.00 0.00 C ATOM 1595 CD1 PHE A 105 0.697 -9.687 -3.786 1.00 0.00 C ATOM 1596 CD2 PHE A 105 -0.683 -11.000 -5.172 1.00 0.00 C ATOM 1597 CE1 PHE A 105 1.670 -9.622 -4.818 1.00 0.00 C ATOM 1598 CE2 PHE A 105 0.291 -10.935 -6.203 1.00 0.00 C ATOM 1599 CZ PHE A 105 1.447 -10.247 -6.004 1.00 0.00 C ATOM 0 H PHE A 105 -0.849 -8.135 -1.614 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.936 -8.947 -3.575 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.011 -10.678 -1.933 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.192 -11.268 -3.085 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.875 -9.191 -2.844 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -1.601 -11.546 -5.330 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.588 -9.075 -4.660 1.00 0.00 H new ATOM 0 HE2 PHE A 105 0.114 -11.432 -7.145 1.00 0.00 H new ATOM 0 HZ PHE A 105 2.188 -10.197 -6.788 1.00 0.00 H new ATOM 1609 N PRO A 106 -4.576 -9.317 -1.789 1.00 0.00 N ATOM 1610 CA PRO A 106 -5.574 -9.456 -0.742 1.00 0.00 C ATOM 1611 C PRO A 106 -5.646 -10.900 -0.242 1.00 0.00 C ATOM 1612 O PRO A 106 -6.109 -11.787 -0.958 1.00 0.00 O ATOM 1613 CB PRO A 106 -6.873 -8.980 -1.372 1.00 0.00 C ATOM 1614 CG PRO A 106 -6.652 -9.032 -2.875 1.00 0.00 C ATOM 1615 CD PRO A 106 -5.161 -9.189 -3.121 1.00 0.00 C ATOM 0 HA PRO A 106 -5.338 -8.868 0.145 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -7.706 -9.618 -1.078 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -7.116 -7.968 -1.048 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -7.201 -9.866 -3.313 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -7.023 -8.122 -3.347 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -4.951 -10.067 -3.732 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -4.754 -8.328 -3.651 1.00 0.00 H new ATOM 1623 N ARG A 107 -5.181 -11.092 0.984 1.00 0.00 N ATOM 1624 CA ARG A 107 -5.186 -12.413 1.588 1.00 0.00 C ATOM 1625 C ARG A 107 -6.555 -12.709 2.204 1.00 0.00 C ATOM 1626 O ARG A 107 -6.916 -12.133 3.230 1.00 0.00 O ATOM 1627 CB ARG A 107 -4.112 -12.527 2.671 1.00 0.00 C ATOM 1628 CG ARG A 107 -2.817 -13.109 2.100 1.00 0.00 C ATOM 1629 CD ARG A 107 -2.192 -14.114 3.070 1.00 0.00 C ATOM 1630 NE ARG A 107 -2.096 -15.444 2.428 1.00 0.00 N ATOM 1631 CZ ARG A 107 -1.738 -16.564 3.071 1.00 0.00 C ATOM 1632 NH1 ARG A 107 -1.440 -16.521 4.377 1.00 0.00 N ATOM 1633 NH2 ARG A 107 -1.677 -17.727 2.408 1.00 0.00 N ATOM 0 H ARG A 107 -4.798 -10.354 1.575 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.972 -13.138 0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.916 -11.544 3.098 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.473 -13.160 3.481 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.023 -13.597 1.148 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.110 -12.304 1.899 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -1.201 -13.774 3.371 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.795 -14.181 3.976 1.00 0.00 H new ATOM 0 HE ARG A 107 -2.316 -15.512 1.434 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -1.486 -15.636 4.882 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -1.168 -17.374 4.866 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -1.903 -17.760 1.414 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.404 -18.579 2.897 1.00 0.00 H new