USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 645 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 29 GLN : amide:sc= -5.57! C(o=-8.5!,f=-16!) USER MOD Set 1.2: A 69 TYR OH : rot 84:sc= -2.97! USER MOD Set 2.1: A 32 TYR OH : rot 129:sc= 0.328 USER MOD Set 2.2: A 42 LYS NZ :NH3+ 149:sc= -4.58! (180deg=-3.31!) USER MOD Set 2.3: A 60 GLN : amide:sc= -2.04! C(o=-6.3!,f=-17!) USER MOD Single : A 10 SER OG : rot 33:sc= 0.146 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 73:sc= -0.316 USER MOD Single : A 23 ASN : amide:sc= -1.76! K(o=-1.8!,f=-0.34) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.096 K(o=-0.096,f=-1.7) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -152:sc= -3.19 (180deg=-3.74!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 43 GLN : amide:sc= -3! K(o=-3!,f=-0.6) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 135:sc= -0.264! USER MOD Single : A 55 TYR OH : rot -124:sc= 1.04 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 65 THR OG1 : rot -120:sc= -0.0802 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -4.13! K(o=-4.1!,f=-1.1) USER MOD Single : A 71 LYS NZ :NH3+ -144:sc= -1.2 (180deg=-4.3!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.0394 X(o=-0.039,f=-0.49) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.657 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N SER A 10 74.513 -12.770 10.158 1.00 0.00 N ATOM 194 CA SER A 10 75.676 -13.551 9.769 1.00 0.00 C ATOM 195 C SER A 10 76.550 -12.768 8.799 1.00 0.00 C ATOM 196 O SER A 10 76.127 -11.751 8.250 1.00 0.00 O ATOM 197 CB SER A 10 75.230 -14.857 9.114 1.00 0.00 C ATOM 198 OG SER A 10 74.395 -15.571 10.015 1.00 0.00 O ATOM 0 HA SER A 10 76.257 -13.771 10.665 1.00 0.00 H new ATOM 0 HB2 SER A 10 74.692 -14.649 8.189 1.00 0.00 H new ATOM 0 HB3 SER A 10 76.099 -15.460 8.849 1.00 0.00 H new ATOM 0 HG SER A 10 73.880 -14.937 10.557 1.00 0.00 H new ATOM 204 N ILE A 11 77.771 -13.250 8.595 1.00 0.00 N ATOM 205 CA ILE A 11 78.701 -12.602 7.678 1.00 0.00 C ATOM 206 C ILE A 11 79.296 -13.625 6.715 1.00 0.00 C ATOM 207 O ILE A 11 79.749 -14.691 7.130 1.00 0.00 O ATOM 208 CB ILE A 11 79.811 -11.887 8.448 1.00 0.00 C ATOM 209 CG1 ILE A 11 79.192 -10.837 9.378 1.00 0.00 C ATOM 210 CG2 ILE A 11 80.763 -11.201 7.463 1.00 0.00 C ATOM 211 CD1 ILE A 11 79.300 -11.314 10.826 1.00 0.00 C ATOM 0 H ILE A 11 78.139 -14.085 9.051 1.00 0.00 H new ATOM 0 HA ILE A 11 78.151 -11.858 7.101 1.00 0.00 H new ATOM 0 HB ILE A 11 80.367 -12.614 9.039 1.00 0.00 H new ATOM 0 HG12 ILE A 11 79.705 -9.882 9.259 1.00 0.00 H new ATOM 0 HG13 ILE A 11 78.147 -10.673 9.115 1.00 0.00 H new ATOM 0 HG21 ILE A 11 81.553 -10.692 8.015 1.00 0.00 H new ATOM 0 HG22 ILE A 11 81.204 -11.948 6.803 1.00 0.00 H new ATOM 0 HG23 ILE A 11 80.210 -10.474 6.869 1.00 0.00 H new ATOM 0 HD11 ILE A 11 78.860 -10.568 11.488 1.00 0.00 H new ATOM 0 HD12 ILE A 11 78.768 -12.258 10.939 1.00 0.00 H new ATOM 0 HD13 ILE A 11 80.349 -11.456 11.085 1.00 0.00 H new ATOM 223 N SER A 12 79.282 -13.291 5.427 1.00 0.00 N ATOM 224 CA SER A 12 79.810 -14.180 4.396 1.00 0.00 C ATOM 225 C SER A 12 80.941 -13.501 3.630 1.00 0.00 C ATOM 226 O SER A 12 81.246 -12.330 3.860 1.00 0.00 O ATOM 227 CB SER A 12 78.700 -14.583 3.424 1.00 0.00 C ATOM 228 OG SER A 12 77.690 -15.284 4.135 1.00 0.00 O ATOM 0 H SER A 12 78.910 -12.410 5.072 1.00 0.00 H new ATOM 0 HA SER A 12 80.201 -15.073 4.884 1.00 0.00 H new ATOM 0 HB2 SER A 12 78.279 -13.698 2.947 1.00 0.00 H new ATOM 0 HB3 SER A 12 79.105 -15.211 2.630 1.00 0.00 H new ATOM 0 HG SER A 12 76.975 -15.543 3.517 1.00 0.00 H new ATOM 234 N ARG A 13 81.553 -14.247 2.715 1.00 0.00 N ATOM 235 CA ARG A 13 82.648 -13.718 1.909 1.00 0.00 C ATOM 236 C ARG A 13 82.242 -13.657 0.443 1.00 0.00 C ATOM 237 O ARG A 13 81.716 -14.620 -0.110 1.00 0.00 O ATOM 238 CB ARG A 13 83.889 -14.599 2.072 1.00 0.00 C ATOM 239 CG ARG A 13 84.490 -14.377 3.462 1.00 0.00 C ATOM 240 CD ARG A 13 85.510 -13.235 3.407 1.00 0.00 C ATOM 241 NE ARG A 13 85.881 -12.827 4.757 1.00 0.00 N ATOM 242 CZ ARG A 13 86.777 -13.508 5.462 1.00 0.00 C ATOM 243 NH1 ARG A 13 87.339 -14.570 4.953 1.00 0.00 N ATOM 244 NH2 ARG A 13 87.092 -13.115 6.666 1.00 0.00 N ATOM 0 H ARG A 13 81.310 -15.217 2.514 1.00 0.00 H new ATOM 0 HA ARG A 13 82.880 -12.709 2.250 1.00 0.00 H new ATOM 0 HB2 ARG A 13 83.624 -15.648 1.942 1.00 0.00 H new ATOM 0 HB3 ARG A 13 84.623 -14.358 1.303 1.00 0.00 H new ATOM 0 HG2 ARG A 13 83.701 -14.139 4.176 1.00 0.00 H new ATOM 0 HG3 ARG A 13 84.971 -15.291 3.811 1.00 0.00 H new ATOM 0 HD2 ARG A 13 86.396 -13.555 2.859 1.00 0.00 H new ATOM 0 HD3 ARG A 13 85.090 -12.388 2.866 1.00 0.00 H new ATOM 0 HE ARG A 13 85.444 -12.002 5.168 1.00 0.00 H new ATOM 0 HH11 ARG A 13 87.090 -14.878 4.013 1.00 0.00 H new ATOM 0 HH12 ARG A 13 88.027 -15.092 5.495 1.00 0.00 H new ATOM 0 HH21 ARG A 13 86.650 -12.286 7.064 1.00 0.00 H new ATOM 0 HH22 ARG A 13 87.780 -13.637 7.209 1.00 0.00 H new ATOM 258 N ALA A 14 82.489 -12.512 -0.176 1.00 0.00 N ATOM 259 CA ALA A 14 82.139 -12.323 -1.575 1.00 0.00 C ATOM 260 C ALA A 14 82.919 -13.284 -2.462 1.00 0.00 C ATOM 261 O ALA A 14 84.066 -13.620 -2.168 1.00 0.00 O ATOM 262 CB ALA A 14 82.432 -10.888 -1.982 1.00 0.00 C ATOM 0 H ALA A 14 82.928 -11.704 0.266 1.00 0.00 H new ATOM 0 HA ALA A 14 81.076 -12.529 -1.700 1.00 0.00 H new ATOM 0 HB1 ALA A 14 82.170 -10.746 -3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 14 81.844 -10.208 -1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 14 83.493 -10.679 -1.842 1.00 0.00 H new ATOM 268 N LYS A 15 82.291 -13.734 -3.544 1.00 0.00 N ATOM 269 CA LYS A 15 82.946 -14.662 -4.453 1.00 0.00 C ATOM 270 C LYS A 15 83.727 -13.933 -5.538 1.00 0.00 C ATOM 271 O LYS A 15 84.816 -14.359 -5.925 1.00 0.00 O ATOM 272 CB LYS A 15 81.907 -15.563 -5.112 1.00 0.00 C ATOM 273 CG LYS A 15 81.267 -16.454 -4.050 1.00 0.00 C ATOM 274 CD LYS A 15 80.406 -17.503 -4.746 1.00 0.00 C ATOM 275 CE LYS A 15 79.775 -18.425 -3.701 1.00 0.00 C ATOM 276 NZ LYS A 15 78.956 -19.469 -4.379 1.00 0.00 N ATOM 0 H LYS A 15 81.341 -13.474 -3.809 1.00 0.00 H new ATOM 0 HA LYS A 15 83.645 -15.256 -3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 15 81.145 -14.959 -5.604 1.00 0.00 H new ATOM 0 HB3 LYS A 15 82.376 -16.175 -5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 15 82.037 -16.936 -3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 15 80.659 -15.856 -3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 15 79.628 -17.017 -5.334 1.00 0.00 H new ATOM 0 HD3 LYS A 15 81.013 -18.085 -5.439 1.00 0.00 H new ATOM 0 HE2 LYS A 15 80.553 -18.894 -3.099 1.00 0.00 H new ATOM 0 HE3 LYS A 15 79.151 -17.846 -3.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 78.529 -20.093 -3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 78.204 -19.014 -4.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 79.562 -20.030 -5.011 1.00 0.00 H new ATOM 290 N LYS A 16 83.162 -12.837 -6.037 1.00 0.00 N ATOM 291 CA LYS A 16 83.815 -12.064 -7.090 1.00 0.00 C ATOM 292 C LYS A 16 83.449 -10.588 -6.972 1.00 0.00 C ATOM 293 O LYS A 16 82.377 -10.240 -6.472 1.00 0.00 O ATOM 294 CB LYS A 16 83.403 -12.592 -8.469 1.00 0.00 C ATOM 295 CG LYS A 16 84.162 -11.834 -9.564 1.00 0.00 C ATOM 296 CD LYS A 16 83.755 -12.379 -10.933 1.00 0.00 C ATOM 297 CE LYS A 16 84.503 -11.615 -12.025 1.00 0.00 C ATOM 298 NZ LYS A 16 84.106 -12.139 -13.361 1.00 0.00 N ATOM 0 H LYS A 16 82.262 -12.466 -5.733 1.00 0.00 H new ATOM 0 HA LYS A 16 84.894 -12.170 -6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 16 83.616 -13.659 -8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 16 82.329 -12.471 -8.608 1.00 0.00 H new ATOM 0 HG2 LYS A 16 83.941 -10.768 -9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 16 85.237 -11.945 -9.421 1.00 0.00 H new ATOM 0 HD2 LYS A 16 83.984 -13.443 -10.996 1.00 0.00 H new ATOM 0 HD3 LYS A 16 82.679 -12.275 -11.073 1.00 0.00 H new ATOM 0 HE2 LYS A 16 84.277 -10.551 -11.959 1.00 0.00 H new ATOM 0 HE3 LYS A 16 85.579 -11.722 -11.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 84.615 -11.619 -14.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 84.343 -13.150 -13.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 83.082 -12.015 -13.492 1.00 0.00 H new ATOM 312 N TRP A 17 84.358 -9.728 -7.416 1.00 0.00 N ATOM 313 CA TRP A 17 84.145 -8.290 -7.347 1.00 0.00 C ATOM 314 C TRP A 17 82.837 -7.899 -8.016 1.00 0.00 C ATOM 315 O TRP A 17 82.525 -8.360 -9.111 1.00 0.00 O ATOM 316 CB TRP A 17 85.301 -7.556 -8.026 1.00 0.00 C ATOM 317 CG TRP A 17 84.962 -6.105 -8.130 1.00 0.00 C ATOM 318 CD1 TRP A 17 85.089 -5.201 -7.132 1.00 0.00 C ATOM 319 CD2 TRP A 17 84.438 -5.379 -9.277 1.00 0.00 C ATOM 320 NE1 TRP A 17 84.674 -3.966 -7.595 1.00 0.00 N ATOM 321 CE2 TRP A 17 84.264 -4.025 -8.914 1.00 0.00 C ATOM 322 CE3 TRP A 17 84.097 -5.764 -10.588 1.00 0.00 C ATOM 323 CZ2 TRP A 17 83.772 -3.083 -9.818 1.00 0.00 C ATOM 324 CZ3 TRP A 17 83.600 -4.817 -11.500 1.00 0.00 C ATOM 325 CH2 TRP A 17 83.441 -3.480 -11.115 1.00 0.00 C ATOM 0 H TRP A 17 85.250 -10.003 -7.828 1.00 0.00 H new ATOM 0 HA TRP A 17 84.097 -8.007 -6.295 1.00 0.00 H new ATOM 0 HB2 TRP A 17 86.219 -7.688 -7.453 1.00 0.00 H new ATOM 0 HB3 TRP A 17 85.481 -7.972 -9.017 1.00 0.00 H new ATOM 0 HD1 TRP A 17 85.454 -5.409 -6.137 1.00 0.00 H new ATOM 0 HE1 TRP A 17 84.671 -3.115 -7.032 1.00 0.00 H new ATOM 0 HE3 TRP A 17 84.218 -6.793 -10.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 83.648 -2.053 -9.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 83.339 -5.122 -12.503 1.00 0.00 H new ATOM 0 HH2 TRP A 17 83.062 -2.756 -11.821 1.00 0.00 H new ATOM 336 N SER A 18 82.079 -7.042 -7.346 1.00 0.00 N ATOM 337 CA SER A 18 80.807 -6.590 -7.884 1.00 0.00 C ATOM 338 C SER A 18 80.391 -5.286 -7.218 1.00 0.00 C ATOM 339 O SER A 18 80.886 -4.942 -6.146 1.00 0.00 O ATOM 340 CB SER A 18 79.732 -7.657 -7.658 1.00 0.00 C ATOM 341 OG SER A 18 80.348 -8.939 -7.640 1.00 0.00 O ATOM 0 H SER A 18 82.321 -6.649 -6.436 1.00 0.00 H new ATOM 0 HA SER A 18 80.919 -6.421 -8.955 1.00 0.00 H new ATOM 0 HB2 SER A 18 79.213 -7.475 -6.717 1.00 0.00 H new ATOM 0 HB3 SER A 18 78.983 -7.610 -8.449 1.00 0.00 H new ATOM 0 HG SER A 18 80.850 -9.049 -6.806 1.00 0.00 H new ATOM 347 N GLU A 19 79.499 -4.557 -7.874 1.00 0.00 N ATOM 348 CA GLU A 19 79.042 -3.280 -7.342 1.00 0.00 C ATOM 349 C GLU A 19 78.671 -3.421 -5.874 1.00 0.00 C ATOM 350 O GLU A 19 78.843 -2.487 -5.090 1.00 0.00 O ATOM 351 CB GLU A 19 77.831 -2.793 -8.138 1.00 0.00 C ATOM 352 CG GLU A 19 76.693 -3.809 -7.991 1.00 0.00 C ATOM 353 CD GLU A 19 75.616 -3.552 -9.040 1.00 0.00 C ATOM 354 OE1 GLU A 19 75.719 -4.121 -10.115 1.00 0.00 O ATOM 355 OE2 GLU A 19 74.704 -2.795 -8.753 1.00 0.00 O ATOM 0 H GLU A 19 79.081 -4.823 -8.765 1.00 0.00 H new ATOM 0 HA GLU A 19 79.849 -2.553 -7.431 1.00 0.00 H new ATOM 0 HB2 GLU A 19 77.512 -1.816 -7.776 1.00 0.00 H new ATOM 0 HB3 GLU A 19 78.095 -2.673 -9.189 1.00 0.00 H new ATOM 0 HG2 GLU A 19 77.083 -4.821 -8.101 1.00 0.00 H new ATOM 0 HG3 GLU A 19 76.262 -3.740 -6.992 1.00 0.00 H new ATOM 362 N GLU A 20 78.184 -4.596 -5.504 1.00 0.00 N ATOM 363 CA GLU A 20 77.816 -4.851 -4.119 1.00 0.00 C ATOM 364 C GLU A 20 79.058 -4.915 -3.235 1.00 0.00 C ATOM 365 O GLU A 20 79.053 -4.439 -2.100 1.00 0.00 O ATOM 366 CB GLU A 20 77.050 -6.169 -4.021 1.00 0.00 C ATOM 367 CG GLU A 20 75.716 -6.040 -4.759 1.00 0.00 C ATOM 368 CD GLU A 20 74.806 -5.065 -4.022 1.00 0.00 C ATOM 369 OE1 GLU A 20 75.043 -4.837 -2.848 1.00 0.00 O ATOM 370 OE2 GLU A 20 73.884 -4.561 -4.643 1.00 0.00 O ATOM 0 H GLU A 20 78.035 -5.382 -6.137 1.00 0.00 H new ATOM 0 HA GLU A 20 77.183 -4.034 -3.774 1.00 0.00 H new ATOM 0 HB2 GLU A 20 77.640 -6.978 -4.453 1.00 0.00 H new ATOM 0 HB3 GLU A 20 76.876 -6.424 -2.976 1.00 0.00 H new ATOM 0 HG2 GLU A 20 75.887 -5.692 -5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 20 75.235 -7.015 -4.832 1.00 0.00 H new ATOM 377 N ILE A 21 80.117 -5.529 -3.759 1.00 0.00 N ATOM 378 CA ILE A 21 81.353 -5.676 -2.995 1.00 0.00 C ATOM 379 C ILE A 21 82.022 -4.323 -2.856 1.00 0.00 C ATOM 380 O ILE A 21 82.282 -3.864 -1.750 1.00 0.00 O ATOM 381 CB ILE A 21 82.302 -6.658 -3.702 1.00 0.00 C ATOM 382 CG1 ILE A 21 81.487 -7.797 -4.324 1.00 0.00 C ATOM 383 CG2 ILE A 21 83.309 -7.246 -2.699 1.00 0.00 C ATOM 384 CD1 ILE A 21 80.475 -8.357 -3.317 1.00 0.00 C ATOM 0 H ILE A 21 80.145 -5.928 -4.697 1.00 0.00 H new ATOM 0 HA ILE A 21 81.118 -6.070 -2.006 1.00 0.00 H new ATOM 0 HB ILE A 21 82.846 -6.122 -4.479 1.00 0.00 H new ATOM 0 HG12 ILE A 21 80.964 -7.434 -5.209 1.00 0.00 H new ATOM 0 HG13 ILE A 21 82.157 -8.592 -4.653 1.00 0.00 H new ATOM 0 HG21 ILE A 21 83.974 -7.939 -3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 21 83.896 -6.440 -2.258 1.00 0.00 H new ATOM 0 HG23 ILE A 21 82.772 -7.776 -1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 21 79.908 -9.164 -3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 21 81.004 -8.740 -2.444 1.00 0.00 H new ATOM 0 HD13 ILE A 21 79.792 -7.565 -3.009 1.00 0.00 H new ATOM 396 N GLU A 22 82.324 -3.701 -3.981 1.00 0.00 N ATOM 397 CA GLU A 22 82.989 -2.411 -3.955 1.00 0.00 C ATOM 398 C GLU A 22 82.341 -1.518 -2.915 1.00 0.00 C ATOM 399 O GLU A 22 83.021 -0.933 -2.077 1.00 0.00 O ATOM 400 CB GLU A 22 82.882 -1.760 -5.340 1.00 0.00 C ATOM 401 CG GLU A 22 82.926 -0.227 -5.229 1.00 0.00 C ATOM 402 CD GLU A 22 81.534 0.336 -4.926 1.00 0.00 C ATOM 403 OE1 GLU A 22 80.564 -0.238 -5.392 1.00 0.00 O ATOM 404 OE2 GLU A 22 81.458 1.340 -4.244 1.00 0.00 O ATOM 0 H GLU A 22 82.123 -4.062 -4.913 1.00 0.00 H new ATOM 0 HA GLU A 22 84.039 -2.548 -3.697 1.00 0.00 H new ATOM 0 HB2 GLU A 22 83.698 -2.107 -5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 22 81.953 -2.068 -5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 22 83.621 0.065 -4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 22 83.301 0.199 -6.160 1.00 0.00 H new ATOM 411 N ASN A 23 81.023 -1.411 -2.975 1.00 0.00 N ATOM 412 CA ASN A 23 80.307 -0.568 -2.037 1.00 0.00 C ATOM 413 C ASN A 23 80.578 -0.997 -0.606 1.00 0.00 C ATOM 414 O ASN A 23 80.888 -0.168 0.247 1.00 0.00 O ATOM 415 CB ASN A 23 78.816 -0.657 -2.313 1.00 0.00 C ATOM 416 CG ASN A 23 78.075 0.114 -1.240 1.00 0.00 C ATOM 417 OD1 ASN A 23 77.687 1.260 -1.449 1.00 0.00 O ATOM 418 ND2 ASN A 23 77.895 -0.448 -0.077 1.00 0.00 N ATOM 0 H ASN A 23 80.435 -1.892 -3.656 1.00 0.00 H new ATOM 0 HA ASN A 23 80.651 0.458 -2.164 1.00 0.00 H new ATOM 0 HB2 ASN A 23 78.589 -0.247 -3.297 1.00 0.00 H new ATOM 0 HB3 ASN A 23 78.495 -1.699 -2.320 1.00 0.00 H new ATOM 0 HD21 ASN A 23 77.428 0.065 0.670 1.00 0.00 H new ATOM 0 HD22 ASN A 23 78.222 -1.401 0.085 1.00 0.00 H new ATOM 425 N LEU A 24 80.448 -2.287 -0.335 1.00 0.00 N ATOM 426 CA LEU A 24 80.678 -2.772 1.012 1.00 0.00 C ATOM 427 C LEU A 24 82.093 -2.450 1.445 1.00 0.00 C ATOM 428 O LEU A 24 82.316 -2.032 2.575 1.00 0.00 O ATOM 429 CB LEU A 24 80.439 -4.270 1.047 1.00 0.00 C ATOM 430 CG LEU A 24 78.937 -4.534 0.935 1.00 0.00 C ATOM 431 CD1 LEU A 24 78.720 -5.995 0.566 1.00 0.00 C ATOM 432 CD2 LEU A 24 78.229 -4.249 2.271 1.00 0.00 C ATOM 0 H LEU A 24 80.190 -3.002 -1.016 1.00 0.00 H new ATOM 0 HA LEU A 24 79.990 -2.282 1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 24 80.969 -4.756 0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 24 80.828 -4.692 1.973 1.00 0.00 H new ATOM 0 HG LEU A 24 78.522 -3.876 0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 24 77.652 -6.195 0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 24 79.203 -6.205 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 24 79.150 -6.633 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.162 -4.444 2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.641 -4.895 3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.382 -3.206 2.548 1.00 0.00 H new ATOM 444 N TYR A 25 83.046 -2.609 0.544 1.00 0.00 N ATOM 445 CA TYR A 25 84.426 -2.288 0.865 1.00 0.00 C ATOM 446 C TYR A 25 84.560 -0.814 1.217 1.00 0.00 C ATOM 447 O TYR A 25 85.151 -0.465 2.240 1.00 0.00 O ATOM 448 CB TYR A 25 85.326 -2.623 -0.321 1.00 0.00 C ATOM 449 CG TYR A 25 86.671 -1.966 -0.142 1.00 0.00 C ATOM 450 CD1 TYR A 25 87.549 -2.403 0.856 1.00 0.00 C ATOM 451 CD2 TYR A 25 87.043 -0.915 -0.989 1.00 0.00 C ATOM 452 CE1 TYR A 25 88.798 -1.789 1.007 1.00 0.00 C ATOM 453 CE2 TYR A 25 88.289 -0.299 -0.838 1.00 0.00 C ATOM 454 CZ TYR A 25 89.167 -0.735 0.160 1.00 0.00 C ATOM 455 OH TYR A 25 90.396 -0.128 0.309 1.00 0.00 O ATOM 0 H TYR A 25 82.894 -2.954 -0.404 1.00 0.00 H new ATOM 0 HA TYR A 25 84.732 -2.882 1.727 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.447 -3.703 -0.404 1.00 0.00 H new ATOM 0 HB3 TYR A 25 84.864 -2.282 -1.248 1.00 0.00 H new ATOM 0 HD1 TYR A 25 87.263 -3.214 1.510 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.366 -0.579 -1.761 1.00 0.00 H new ATOM 0 HE1 TYR A 25 89.477 -2.127 1.776 1.00 0.00 H new ATOM 0 HE2 TYR A 25 88.573 0.513 -1.491 1.00 0.00 H new ATOM 0 HH TYR A 25 90.493 0.583 -0.359 1.00 0.00 H new ATOM 465 N ARG A 26 84.009 0.046 0.369 1.00 0.00 N ATOM 466 CA ARG A 26 84.083 1.478 0.613 1.00 0.00 C ATOM 467 C ARG A 26 83.377 1.822 1.920 1.00 0.00 C ATOM 468 O ARG A 26 83.870 2.600 2.724 1.00 0.00 O ATOM 469 CB ARG A 26 83.429 2.246 -0.542 1.00 0.00 C ATOM 470 CG ARG A 26 84.253 2.075 -1.822 1.00 0.00 C ATOM 471 CD ARG A 26 83.737 3.041 -2.889 1.00 0.00 C ATOM 472 NE ARG A 26 84.445 2.826 -4.146 1.00 0.00 N ATOM 473 CZ ARG A 26 84.308 3.666 -5.166 1.00 0.00 C ATOM 474 NH1 ARG A 26 83.538 4.712 -5.046 1.00 0.00 N ATOM 475 NH2 ARG A 26 84.944 3.445 -6.284 1.00 0.00 N ATOM 0 H ARG A 26 83.513 -0.220 -0.482 1.00 0.00 H new ATOM 0 HA ARG A 26 85.132 1.766 0.684 1.00 0.00 H new ATOM 0 HB2 ARG A 26 82.414 1.882 -0.702 1.00 0.00 H new ATOM 0 HB3 ARG A 26 83.352 3.303 -0.288 1.00 0.00 H new ATOM 0 HG2 ARG A 26 85.306 2.269 -1.619 1.00 0.00 H new ATOM 0 HG3 ARG A 26 84.181 1.048 -2.180 1.00 0.00 H new ATOM 0 HD2 ARG A 26 82.667 2.895 -3.036 1.00 0.00 H new ATOM 0 HD3 ARG A 26 83.875 4.070 -2.556 1.00 0.00 H new ATOM 0 HE ARG A 26 85.057 2.016 -4.244 1.00 0.00 H new ATOM 0 HH11 ARG A 26 83.043 4.883 -4.171 1.00 0.00 H new ATOM 0 HH12 ARG A 26 83.431 5.359 -5.827 1.00 0.00 H new ATOM 0 HH21 ARG A 26 85.547 2.627 -6.375 1.00 0.00 H new ATOM 0 HH22 ARG A 26 84.838 4.090 -7.067 1.00 0.00 H new ATOM 489 N PHE A 27 82.207 1.250 2.143 1.00 0.00 N ATOM 490 CA PHE A 27 81.482 1.530 3.365 1.00 0.00 C ATOM 491 C PHE A 27 82.246 0.996 4.581 1.00 0.00 C ATOM 492 O PHE A 27 82.428 1.703 5.571 1.00 0.00 O ATOM 493 CB PHE A 27 80.110 0.881 3.270 1.00 0.00 C ATOM 494 CG PHE A 27 79.136 1.874 2.697 1.00 0.00 C ATOM 495 CD1 PHE A 27 79.258 2.308 1.369 1.00 0.00 C ATOM 496 CD2 PHE A 27 78.111 2.364 3.499 1.00 0.00 C ATOM 497 CE1 PHE A 27 78.347 3.236 0.856 1.00 0.00 C ATOM 498 CE2 PHE A 27 77.209 3.286 2.988 1.00 0.00 C ATOM 499 CZ PHE A 27 77.321 3.727 1.666 1.00 0.00 C ATOM 0 H PHE A 27 81.747 0.600 1.505 1.00 0.00 H new ATOM 0 HA PHE A 27 81.374 2.607 3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 27 80.157 -0.007 2.640 1.00 0.00 H new ATOM 0 HB3 PHE A 27 79.779 0.555 4.256 1.00 0.00 H new ATOM 0 HD1 PHE A 27 80.053 1.927 0.745 1.00 0.00 H new ATOM 0 HD2 PHE A 27 78.017 2.026 4.521 1.00 0.00 H new ATOM 0 HE1 PHE A 27 78.437 3.573 -0.166 1.00 0.00 H new ATOM 0 HE2 PHE A 27 76.416 3.665 3.615 1.00 0.00 H new ATOM 0 HZ PHE A 27 76.616 4.445 1.273 1.00 0.00 H new ATOM 509 N GLN A 28 82.668 -0.259 4.492 1.00 0.00 N ATOM 510 CA GLN A 28 83.399 -0.897 5.585 1.00 0.00 C ATOM 511 C GLN A 28 84.685 -0.151 5.905 1.00 0.00 C ATOM 512 O GLN A 28 84.983 0.111 7.069 1.00 0.00 O ATOM 513 CB GLN A 28 83.750 -2.339 5.209 1.00 0.00 C ATOM 514 CG GLN A 28 82.500 -3.218 5.252 1.00 0.00 C ATOM 515 CD GLN A 28 82.774 -4.542 4.547 1.00 0.00 C ATOM 516 OE1 GLN A 28 83.927 -4.947 4.404 1.00 0.00 O ATOM 517 NE2 GLN A 28 81.773 -5.236 4.090 1.00 0.00 N ATOM 0 H GLN A 28 82.518 -0.855 3.678 1.00 0.00 H new ATOM 0 HA GLN A 28 82.754 -0.880 6.464 1.00 0.00 H new ATOM 0 HB2 GLN A 28 84.187 -2.366 4.211 1.00 0.00 H new ATOM 0 HB3 GLN A 28 84.501 -2.729 5.896 1.00 0.00 H new ATOM 0 HG2 GLN A 28 82.208 -3.400 6.286 1.00 0.00 H new ATOM 0 HG3 GLN A 28 81.667 -2.705 4.771 1.00 0.00 H new ATOM 0 HE21 GLN A 28 80.819 -4.896 4.211 1.00 0.00 H new ATOM 0 HE22 GLN A 28 81.942 -6.120 3.611 1.00 0.00 H new ATOM 526 N GLN A 29 85.437 0.205 4.872 1.00 0.00 N ATOM 527 CA GLN A 29 86.682 0.926 5.078 1.00 0.00 C ATOM 528 C GLN A 29 86.388 2.320 5.627 1.00 0.00 C ATOM 529 O GLN A 29 87.249 2.958 6.233 1.00 0.00 O ATOM 530 CB GLN A 29 87.469 1.005 3.761 1.00 0.00 C ATOM 531 CG GLN A 29 87.021 2.214 2.935 1.00 0.00 C ATOM 532 CD GLN A 29 87.852 3.433 3.306 1.00 0.00 C ATOM 533 OE1 GLN A 29 87.454 4.225 4.159 1.00 0.00 O ATOM 534 NE2 GLN A 29 88.993 3.630 2.706 1.00 0.00 N ATOM 0 H GLN A 29 85.210 0.009 3.897 1.00 0.00 H new ATOM 0 HA GLN A 29 87.293 0.393 5.806 1.00 0.00 H new ATOM 0 HB2 GLN A 29 88.536 1.078 3.973 1.00 0.00 H new ATOM 0 HB3 GLN A 29 87.320 0.091 3.187 1.00 0.00 H new ATOM 0 HG2 GLN A 29 87.130 1.999 1.872 1.00 0.00 H new ATOM 0 HG3 GLN A 29 85.965 2.416 3.113 1.00 0.00 H new ATOM 0 HE21 GLN A 29 89.318 2.970 1.999 1.00 0.00 H new ATOM 0 HE22 GLN A 29 89.560 4.444 2.943 1.00 0.00 H new ATOM 543 N ALA A 30 85.158 2.784 5.405 1.00 0.00 N ATOM 544 CA ALA A 30 84.747 4.101 5.882 1.00 0.00 C ATOM 545 C ALA A 30 84.175 4.007 7.296 1.00 0.00 C ATOM 546 O ALA A 30 84.005 5.014 7.981 1.00 0.00 O ATOM 547 CB ALA A 30 83.708 4.701 4.937 1.00 0.00 C ATOM 0 H ALA A 30 84.435 2.270 4.901 1.00 0.00 H new ATOM 0 HA ALA A 30 85.624 4.748 5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 30 83.408 5.683 5.302 1.00 0.00 H new ATOM 0 HB2 ALA A 30 84.137 4.800 3.940 1.00 0.00 H new ATOM 0 HB3 ALA A 30 82.836 4.049 4.894 1.00 0.00 H new ATOM 553 N GLY A 31 83.873 2.788 7.725 1.00 0.00 N ATOM 554 CA GLY A 31 83.316 2.564 9.053 1.00 0.00 C ATOM 555 C GLY A 31 81.814 2.293 8.987 1.00 0.00 C ATOM 556 O GLY A 31 81.180 2.003 10.002 1.00 0.00 O ATOM 0 H GLY A 31 84.004 1.940 7.173 1.00 0.00 H new ATOM 0 HA2 GLY A 31 83.820 1.719 9.523 1.00 0.00 H new ATOM 0 HA3 GLY A 31 83.503 3.436 9.680 1.00 0.00 H new ATOM 560 N TYR A 32 81.245 2.400 7.790 1.00 0.00 N ATOM 561 CA TYR A 32 79.827 2.173 7.602 1.00 0.00 C ATOM 562 C TYR A 32 79.591 0.778 7.048 1.00 0.00 C ATOM 563 O TYR A 32 80.444 0.215 6.364 1.00 0.00 O ATOM 564 CB TYR A 32 79.269 3.225 6.632 1.00 0.00 C ATOM 565 CG TYR A 32 79.583 4.637 7.107 1.00 0.00 C ATOM 566 CD1 TYR A 32 79.664 4.957 8.480 1.00 0.00 C ATOM 567 CD2 TYR A 32 79.799 5.636 6.153 1.00 0.00 C ATOM 568 CE1 TYR A 32 79.959 6.267 8.875 1.00 0.00 C ATOM 569 CE2 TYR A 32 80.095 6.943 6.553 1.00 0.00 C ATOM 570 CZ TYR A 32 80.174 7.257 7.913 1.00 0.00 C ATOM 571 OH TYR A 32 80.471 8.544 8.308 1.00 0.00 O ATOM 0 H TYR A 32 81.750 2.643 6.938 1.00 0.00 H new ATOM 0 HA TYR A 32 79.317 2.258 8.562 1.00 0.00 H new ATOM 0 HB2 TYR A 32 79.694 3.070 5.640 1.00 0.00 H new ATOM 0 HB3 TYR A 32 78.190 3.102 6.540 1.00 0.00 H new ATOM 0 HD1 TYR A 32 79.499 4.192 9.224 1.00 0.00 H new ATOM 0 HD2 TYR A 32 79.737 5.397 5.102 1.00 0.00 H new ATOM 0 HE1 TYR A 32 80.020 6.513 9.925 1.00 0.00 H new ATOM 0 HE2 TYR A 32 80.263 7.710 5.811 1.00 0.00 H new ATOM 0 HH TYR A 32 81.274 8.853 7.839 1.00 0.00 H new ATOM 581 N ARG A 33 78.438 0.218 7.380 1.00 0.00 N ATOM 582 CA ARG A 33 78.095 -1.121 6.927 1.00 0.00 C ATOM 583 C ARG A 33 77.431 -1.076 5.557 1.00 0.00 C ATOM 584 O ARG A 33 77.668 -1.936 4.712 1.00 0.00 O ATOM 585 CB ARG A 33 77.154 -1.793 7.927 1.00 0.00 C ATOM 586 CG ARG A 33 76.180 -0.764 8.511 1.00 0.00 C ATOM 587 CD ARG A 33 76.695 -0.273 9.867 1.00 0.00 C ATOM 588 NE ARG A 33 76.845 -1.393 10.781 1.00 0.00 N ATOM 589 CZ ARG A 33 75.796 -1.892 11.423 1.00 0.00 C ATOM 590 NH1 ARG A 33 74.611 -1.376 11.237 1.00 0.00 N ATOM 591 NH2 ARG A 33 75.950 -2.897 12.238 1.00 0.00 N ATOM 0 H ARG A 33 77.728 0.667 7.958 1.00 0.00 H new ATOM 0 HA ARG A 33 79.017 -1.698 6.852 1.00 0.00 H new ATOM 0 HB2 ARG A 33 76.599 -2.592 7.435 1.00 0.00 H new ATOM 0 HB3 ARG A 33 77.732 -2.253 8.728 1.00 0.00 H new ATOM 0 HG2 ARG A 33 76.072 0.077 7.826 1.00 0.00 H new ATOM 0 HG3 ARG A 33 75.192 -1.210 8.627 1.00 0.00 H new ATOM 0 HD2 ARG A 33 77.652 0.233 9.740 1.00 0.00 H new ATOM 0 HD3 ARG A 33 76.002 0.457 10.285 1.00 0.00 H new ATOM 0 HE ARG A 33 77.768 -1.801 10.931 1.00 0.00 H new ATOM 0 HH11 ARG A 33 74.492 -0.590 10.598 1.00 0.00 H new ATOM 0 HH12 ARG A 33 73.805 -1.759 11.730 1.00 0.00 H new ATOM 0 HH21 ARG A 33 76.876 -3.299 12.382 1.00 0.00 H new ATOM 0 HH22 ARG A 33 75.144 -3.281 12.732 1.00 0.00 H new ATOM 605 N ASP A 34 76.592 -0.064 5.349 1.00 0.00 N ATOM 606 CA ASP A 34 75.880 0.096 4.084 1.00 0.00 C ATOM 607 C ASP A 34 75.213 1.470 4.014 1.00 0.00 C ATOM 608 O ASP A 34 75.283 2.243 4.972 1.00 0.00 O ATOM 609 CB ASP A 34 74.831 -1.010 3.933 1.00 0.00 C ATOM 610 CG ASP A 34 74.245 -0.983 2.527 1.00 0.00 C ATOM 611 OD1 ASP A 34 74.902 -0.456 1.642 1.00 0.00 O ATOM 612 OD2 ASP A 34 73.144 -1.480 2.354 1.00 0.00 O ATOM 0 H ASP A 34 76.389 0.658 6.041 1.00 0.00 H new ATOM 0 HA ASP A 34 76.597 0.020 3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 34 75.284 -1.982 4.128 1.00 0.00 H new ATOM 0 HB3 ASP A 34 74.039 -0.874 4.669 1.00 0.00 H new ATOM 617 N GLU A 35 74.574 1.760 2.875 1.00 0.00 N ATOM 618 CA GLU A 35 73.906 3.050 2.657 1.00 0.00 C ATOM 619 C GLU A 35 73.071 3.439 3.863 1.00 0.00 C ATOM 620 O GLU A 35 72.903 4.627 4.149 1.00 0.00 O ATOM 621 CB GLU A 35 72.996 2.961 1.437 1.00 0.00 C ATOM 622 CG GLU A 35 73.848 2.871 0.173 1.00 0.00 C ATOM 623 CD GLU A 35 72.954 2.612 -1.032 1.00 0.00 C ATOM 624 OE1 GLU A 35 71.789 2.313 -0.821 1.00 0.00 O ATOM 625 OE2 GLU A 35 73.442 2.717 -2.142 1.00 0.00 O ATOM 0 H GLU A 35 74.505 1.117 2.087 1.00 0.00 H new ATOM 0 HA GLU A 35 74.675 3.806 2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 35 72.349 2.087 1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 35 72.347 3.835 1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 35 74.405 3.797 0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 35 74.581 2.070 0.273 1.00 0.00 H new ATOM 632 N ILE A 36 72.527 2.445 4.551 1.00 0.00 N ATOM 633 CA ILE A 36 71.694 2.716 5.709 1.00 0.00 C ATOM 634 C ILE A 36 72.458 3.520 6.754 1.00 0.00 C ATOM 635 O ILE A 36 71.958 4.527 7.252 1.00 0.00 O ATOM 636 CB ILE A 36 71.252 1.391 6.337 1.00 0.00 C ATOM 637 CG1 ILE A 36 70.288 0.669 5.393 1.00 0.00 C ATOM 638 CG2 ILE A 36 70.563 1.670 7.672 1.00 0.00 C ATOM 639 CD1 ILE A 36 70.067 -0.762 5.887 1.00 0.00 C ATOM 0 H ILE A 36 72.646 1.456 4.330 1.00 0.00 H new ATOM 0 HA ILE A 36 70.829 3.293 5.381 1.00 0.00 H new ATOM 0 HB ILE A 36 72.123 0.758 6.506 1.00 0.00 H new ATOM 0 HG12 ILE A 36 69.338 1.201 5.350 1.00 0.00 H new ATOM 0 HG13 ILE A 36 70.693 0.657 4.381 1.00 0.00 H new ATOM 0 HG21 ILE A 36 70.247 0.729 8.122 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.258 2.177 8.341 1.00 0.00 H new ATOM 0 HG23 ILE A 36 69.692 2.304 7.506 1.00 0.00 H new ATOM 0 HD11 ILE A 36 69.380 -1.277 5.215 1.00 0.00 H new ATOM 0 HD12 ILE A 36 71.020 -1.291 5.907 1.00 0.00 H new ATOM 0 HD13 ILE A 36 69.643 -0.739 6.891 1.00 0.00 H new ATOM 651 N GLU A 37 73.669 3.083 7.083 1.00 0.00 N ATOM 652 CA GLU A 37 74.477 3.789 8.071 1.00 0.00 C ATOM 653 C GLU A 37 74.936 5.136 7.556 1.00 0.00 C ATOM 654 O GLU A 37 74.936 6.121 8.290 1.00 0.00 O ATOM 655 CB GLU A 37 75.703 2.950 8.437 1.00 0.00 C ATOM 656 CG GLU A 37 76.551 3.668 9.494 1.00 0.00 C ATOM 657 CD GLU A 37 75.743 3.862 10.771 1.00 0.00 C ATOM 658 OE1 GLU A 37 74.802 3.112 10.970 1.00 0.00 O ATOM 659 OE2 GLU A 37 76.071 4.760 11.529 1.00 0.00 O ATOM 0 H GLU A 37 74.109 2.253 6.685 1.00 0.00 H new ATOM 0 HA GLU A 37 73.854 3.950 8.951 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.386 1.978 8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.303 2.764 7.546 1.00 0.00 H new ATOM 0 HG2 GLU A 37 77.448 3.087 9.707 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.880 4.635 9.112 1.00 0.00 H new ATOM 666 N TYR A 38 75.368 5.180 6.307 1.00 0.00 N ATOM 667 CA TYR A 38 75.863 6.434 5.766 1.00 0.00 C ATOM 668 C TYR A 38 74.775 7.507 5.842 1.00 0.00 C ATOM 669 O TYR A 38 75.005 8.612 6.324 1.00 0.00 O ATOM 670 CB TYR A 38 76.240 6.272 4.297 1.00 0.00 C ATOM 671 CG TYR A 38 76.609 7.607 3.677 1.00 0.00 C ATOM 672 CD1 TYR A 38 77.005 8.714 4.461 1.00 0.00 C ATOM 673 CD2 TYR A 38 76.625 7.719 2.287 1.00 0.00 C ATOM 674 CE1 TYR A 38 77.373 9.900 3.849 1.00 0.00 C ATOM 675 CE2 TYR A 38 76.990 8.920 1.680 1.00 0.00 C ATOM 676 CZ TYR A 38 77.360 10.015 2.464 1.00 0.00 C ATOM 677 OH TYR A 38 77.737 11.201 1.871 1.00 0.00 O ATOM 0 H TYR A 38 75.387 4.388 5.665 1.00 0.00 H new ATOM 0 HA TYR A 38 76.735 6.725 6.352 1.00 0.00 H new ATOM 0 HB2 TYR A 38 77.079 5.582 4.208 1.00 0.00 H new ATOM 0 HB3 TYR A 38 75.406 5.832 3.751 1.00 0.00 H new ATOM 0 HD1 TYR A 38 77.021 8.635 5.538 1.00 0.00 H new ATOM 0 HD2 TYR A 38 76.353 6.870 1.677 1.00 0.00 H new ATOM 0 HE1 TYR A 38 77.673 10.743 4.453 1.00 0.00 H new ATOM 0 HE2 TYR A 38 76.987 9.004 0.603 1.00 0.00 H new ATOM 0 HH TYR A 38 77.673 11.115 0.897 1.00 0.00 H new ATOM 687 N LYS A 39 73.592 7.174 5.359 1.00 0.00 N ATOM 688 CA LYS A 39 72.481 8.122 5.362 1.00 0.00 C ATOM 689 C LYS A 39 72.164 8.576 6.780 1.00 0.00 C ATOM 690 O LYS A 39 71.894 9.753 7.011 1.00 0.00 O ATOM 691 CB LYS A 39 71.233 7.465 4.754 1.00 0.00 C ATOM 692 CG LYS A 39 71.413 7.318 3.241 1.00 0.00 C ATOM 693 CD LYS A 39 70.208 6.580 2.652 1.00 0.00 C ATOM 694 CE LYS A 39 70.260 6.652 1.124 1.00 0.00 C ATOM 695 NZ LYS A 39 71.511 6.009 0.636 1.00 0.00 N ATOM 0 H LYS A 39 73.371 6.261 4.961 1.00 0.00 H new ATOM 0 HA LYS A 39 72.771 8.989 4.768 1.00 0.00 H new ATOM 0 HB2 LYS A 39 71.067 6.487 5.207 1.00 0.00 H new ATOM 0 HB3 LYS A 39 70.351 8.069 4.968 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.513 8.300 2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 39 72.330 6.770 3.025 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.211 5.540 2.978 1.00 0.00 H new ATOM 0 HD3 LYS A 39 69.282 7.025 3.016 1.00 0.00 H new ATOM 0 HE2 LYS A 39 69.391 6.151 0.697 1.00 0.00 H new ATOM 0 HE3 LYS A 39 70.222 7.691 0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 71.793 6.440 -0.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 72.268 6.146 1.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 71.347 4.991 0.498 1.00 0.00 H new ATOM 709 N GLN A 40 72.207 7.643 7.719 1.00 0.00 N ATOM 710 CA GLN A 40 71.933 7.966 9.109 1.00 0.00 C ATOM 711 C GLN A 40 72.959 8.960 9.644 1.00 0.00 C ATOM 712 O GLN A 40 72.616 9.876 10.388 1.00 0.00 O ATOM 713 CB GLN A 40 71.968 6.694 9.957 1.00 0.00 C ATOM 714 CG GLN A 40 71.589 7.031 11.400 1.00 0.00 C ATOM 715 CD GLN A 40 71.464 5.749 12.217 1.00 0.00 C ATOM 716 OE1 GLN A 40 70.738 4.835 11.829 1.00 0.00 O ATOM 717 NE2 GLN A 40 72.135 5.627 13.330 1.00 0.00 N ATOM 0 H GLN A 40 72.428 6.663 7.545 1.00 0.00 H new ATOM 0 HA GLN A 40 70.942 8.417 9.166 1.00 0.00 H new ATOM 0 HB2 GLN A 40 71.277 5.955 9.552 1.00 0.00 H new ATOM 0 HB3 GLN A 40 72.963 6.251 9.925 1.00 0.00 H new ATOM 0 HG2 GLN A 40 72.344 7.681 11.841 1.00 0.00 H new ATOM 0 HG3 GLN A 40 70.647 7.578 11.419 1.00 0.00 H new ATOM 0 HE21 GLN A 40 72.736 6.387 13.649 1.00 0.00 H new ATOM 0 HE22 GLN A 40 72.058 4.772 13.881 1.00 0.00 H new ATOM 726 N VAL A 41 74.218 8.774 9.266 1.00 0.00 N ATOM 727 CA VAL A 41 75.281 9.658 9.733 1.00 0.00 C ATOM 728 C VAL A 41 75.003 11.101 9.332 1.00 0.00 C ATOM 729 O VAL A 41 75.136 12.015 10.145 1.00 0.00 O ATOM 730 CB VAL A 41 76.615 9.215 9.129 1.00 0.00 C ATOM 731 CG1 VAL A 41 77.689 10.260 9.431 1.00 0.00 C ATOM 732 CG2 VAL A 41 77.028 7.870 9.730 1.00 0.00 C ATOM 0 H VAL A 41 74.527 8.027 8.644 1.00 0.00 H new ATOM 0 HA VAL A 41 75.324 9.600 10.821 1.00 0.00 H new ATOM 0 HB VAL A 41 76.505 9.112 8.049 1.00 0.00 H new ATOM 0 HG11 VAL A 41 78.638 9.942 9.000 1.00 0.00 H new ATOM 0 HG12 VAL A 41 77.397 11.217 8.999 1.00 0.00 H new ATOM 0 HG13 VAL A 41 77.799 10.367 10.510 1.00 0.00 H new ATOM 0 HG21 VAL A 41 77.978 7.555 9.299 1.00 0.00 H new ATOM 0 HG22 VAL A 41 77.135 7.972 10.810 1.00 0.00 H new ATOM 0 HG23 VAL A 41 76.265 7.123 9.510 1.00 0.00 H new ATOM 742 N LYS A 42 74.617 11.303 8.081 1.00 0.00 N ATOM 743 CA LYS A 42 74.323 12.643 7.597 1.00 0.00 C ATOM 744 C LYS A 42 72.819 12.885 7.565 1.00 0.00 C ATOM 745 O LYS A 42 72.360 13.921 7.083 1.00 0.00 O ATOM 746 CB LYS A 42 74.911 12.841 6.200 1.00 0.00 C ATOM 747 CG LYS A 42 76.423 12.595 6.218 1.00 0.00 C ATOM 748 CD LYS A 42 77.119 13.609 7.131 1.00 0.00 C ATOM 749 CE LYS A 42 78.603 13.684 6.764 1.00 0.00 C ATOM 750 NZ LYS A 42 79.240 12.359 6.995 1.00 0.00 N ATOM 0 H LYS A 42 74.501 10.563 7.388 1.00 0.00 H new ATOM 0 HA LYS A 42 74.777 13.361 8.280 1.00 0.00 H new ATOM 0 HB2 LYS A 42 74.433 12.158 5.497 1.00 0.00 H new ATOM 0 HB3 LYS A 42 74.705 13.853 5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 42 76.629 11.582 6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 42 76.822 12.673 5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.656 14.590 7.024 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.005 13.315 8.174 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.716 13.976 5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.099 14.447 7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 80.015 12.223 6.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 79.618 12.319 7.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 78.533 11.607 6.868 1.00 0.00 H new ATOM 764 N GLN A 43 72.054 11.926 8.075 1.00 0.00 N ATOM 765 CA GLN A 43 70.604 12.063 8.090 1.00 0.00 C ATOM 766 C GLN A 43 70.090 12.533 6.728 1.00 0.00 C ATOM 767 O GLN A 43 69.357 13.519 6.632 1.00 0.00 O ATOM 768 CB GLN A 43 70.189 13.057 9.179 1.00 0.00 C ATOM 769 CG GLN A 43 68.859 12.611 9.788 1.00 0.00 C ATOM 770 CD GLN A 43 69.061 11.369 10.652 1.00 0.00 C ATOM 771 OE1 GLN A 43 68.092 10.773 11.117 1.00 0.00 O ATOM 772 NE2 GLN A 43 70.270 10.934 10.885 1.00 0.00 N ATOM 0 H GLN A 43 72.408 11.058 8.478 1.00 0.00 H new ATOM 0 HA GLN A 43 70.165 11.089 8.304 1.00 0.00 H new ATOM 0 HB2 GLN A 43 70.956 13.110 9.951 1.00 0.00 H new ATOM 0 HB3 GLN A 43 70.092 14.057 8.757 1.00 0.00 H new ATOM 0 HG2 GLN A 43 68.439 13.417 10.390 1.00 0.00 H new ATOM 0 HG3 GLN A 43 68.142 12.398 8.995 1.00 0.00 H new ATOM 0 HE21 GLN A 43 71.074 11.429 10.499 1.00 0.00 H new ATOM 0 HE22 GLN A 43 70.411 10.099 11.453 1.00 0.00 H new ATOM 781 N VAL A 44 70.475 11.814 5.677 1.00 0.00 N ATOM 782 CA VAL A 44 70.054 12.158 4.321 1.00 0.00 C ATOM 783 C VAL A 44 69.386 10.965 3.653 1.00 0.00 C ATOM 784 O VAL A 44 69.113 9.950 4.294 1.00 0.00 O ATOM 785 CB VAL A 44 71.257 12.604 3.484 1.00 0.00 C ATOM 786 CG1 VAL A 44 71.896 13.845 4.111 1.00 0.00 C ATOM 787 CG2 VAL A 44 72.294 11.482 3.445 1.00 0.00 C ATOM 0 H VAL A 44 71.076 10.992 5.737 1.00 0.00 H new ATOM 0 HA VAL A 44 69.339 12.978 4.385 1.00 0.00 H new ATOM 0 HB VAL A 44 70.920 12.837 2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 44 72.751 14.157 3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 44 71.164 14.652 4.147 1.00 0.00 H new ATOM 0 HG13 VAL A 44 72.229 13.611 5.122 1.00 0.00 H new ATOM 0 HG21 VAL A 44 73.150 11.799 2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 44 72.622 11.254 4.459 1.00 0.00 H new ATOM 0 HG23 VAL A 44 71.851 10.592 2.998 1.00 0.00 H new ATOM 797 N ALA A 45 69.114 11.100 2.364 1.00 0.00 N ATOM 798 CA ALA A 45 68.468 10.031 1.615 1.00 0.00 C ATOM 799 C ALA A 45 68.977 9.995 0.179 1.00 0.00 C ATOM 800 O ALA A 45 68.248 9.613 -0.735 1.00 0.00 O ATOM 801 CB ALA A 45 66.957 10.249 1.617 1.00 0.00 C ATOM 0 H ALA A 45 69.329 11.934 1.817 1.00 0.00 H new ATOM 0 HA ALA A 45 68.705 9.079 2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 45 66.473 9.449 1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 45 66.590 10.246 2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 45 66.727 11.208 1.152 1.00 0.00 H new ATOM 807 N MET A 46 70.227 10.402 -0.012 1.00 0.00 N ATOM 808 CA MET A 46 70.819 10.415 -1.344 1.00 0.00 C ATOM 809 C MET A 46 72.344 10.433 -1.265 1.00 0.00 C ATOM 810 O MET A 46 72.927 11.269 -0.574 1.00 0.00 O ATOM 811 CB MET A 46 70.334 11.648 -2.108 1.00 0.00 C ATOM 812 CG MET A 46 69.378 11.226 -3.229 1.00 0.00 C ATOM 813 SD MET A 46 70.274 10.252 -4.465 1.00 0.00 S ATOM 814 CE MET A 46 70.885 11.636 -5.462 1.00 0.00 C ATOM 0 H MET A 46 70.845 10.725 0.732 1.00 0.00 H new ATOM 0 HA MET A 46 70.511 9.509 -1.866 1.00 0.00 H new ATOM 0 HB2 MET A 46 69.829 12.333 -1.427 1.00 0.00 H new ATOM 0 HB3 MET A 46 71.185 12.185 -2.527 1.00 0.00 H new ATOM 0 HG2 MET A 46 68.556 10.640 -2.817 1.00 0.00 H new ATOM 0 HG3 MET A 46 68.939 12.108 -3.696 1.00 0.00 H new ATOM 0 HE1 MET A 46 71.475 11.252 -6.295 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.041 12.207 -5.848 1.00 0.00 H new ATOM 0 HE3 MET A 46 71.508 12.283 -4.844 1.00 0.00 H new ATOM 824 N VAL A 47 72.981 9.510 -1.978 1.00 0.00 N ATOM 825 CA VAL A 47 74.440 9.426 -1.988 1.00 0.00 C ATOM 826 C VAL A 47 74.988 9.891 -3.329 1.00 0.00 C ATOM 827 O VAL A 47 74.533 9.443 -4.382 1.00 0.00 O ATOM 828 CB VAL A 47 74.881 7.987 -1.733 1.00 0.00 C ATOM 829 CG1 VAL A 47 76.409 7.903 -1.767 1.00 0.00 C ATOM 830 CG2 VAL A 47 74.361 7.542 -0.366 1.00 0.00 C ATOM 0 H VAL A 47 72.513 8.811 -2.555 1.00 0.00 H new ATOM 0 HA VAL A 47 74.829 10.071 -1.200 1.00 0.00 H new ATOM 0 HB VAL A 47 74.476 7.333 -2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 47 76.721 6.875 -1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 47 76.769 8.224 -2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 47 76.826 8.551 -0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 47 74.671 6.515 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 47 74.768 8.193 0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 47 73.273 7.600 -0.354 1.00 0.00 H new ATOM 840 N ASP A 48 75.968 10.789 -3.292 1.00 0.00 N ATOM 841 CA ASP A 48 76.564 11.298 -4.519 1.00 0.00 C ATOM 842 C ASP A 48 77.414 10.221 -5.182 1.00 0.00 C ATOM 843 O ASP A 48 78.312 9.656 -4.558 1.00 0.00 O ATOM 844 CB ASP A 48 77.431 12.518 -4.199 1.00 0.00 C ATOM 845 CG ASP A 48 76.545 13.702 -3.825 1.00 0.00 C ATOM 846 OD1 ASP A 48 75.349 13.616 -4.053 1.00 0.00 O ATOM 847 OD2 ASP A 48 77.074 14.675 -3.316 1.00 0.00 O ATOM 0 H ASP A 48 76.362 11.175 -2.434 1.00 0.00 H new ATOM 0 HA ASP A 48 75.768 11.587 -5.206 1.00 0.00 H new ATOM 0 HB2 ASP A 48 78.110 12.287 -3.378 1.00 0.00 H new ATOM 0 HB3 ASP A 48 78.048 12.772 -5.061 1.00 0.00 H new ATOM 852 N ARG A 49 77.128 9.942 -6.448 1.00 0.00 N ATOM 853 CA ARG A 49 77.874 8.926 -7.181 1.00 0.00 C ATOM 854 C ARG A 49 78.172 9.404 -8.592 1.00 0.00 C ATOM 855 O ARG A 49 77.647 10.426 -9.028 1.00 0.00 O ATOM 856 CB ARG A 49 77.077 7.625 -7.247 1.00 0.00 C ATOM 857 CG ARG A 49 76.650 7.229 -5.835 1.00 0.00 C ATOM 858 CD ARG A 49 76.572 5.710 -5.728 1.00 0.00 C ATOM 859 NE ARG A 49 76.150 5.321 -4.390 1.00 0.00 N ATOM 860 CZ ARG A 49 74.866 5.296 -4.057 1.00 0.00 C ATOM 861 NH1 ARG A 49 73.960 5.631 -4.933 1.00 0.00 N ATOM 862 NH2 ARG A 49 74.512 4.940 -2.854 1.00 0.00 N ATOM 0 H ARG A 49 76.392 10.400 -6.985 1.00 0.00 H new ATOM 0 HA ARG A 49 78.812 8.747 -6.655 1.00 0.00 H new ATOM 0 HB2 ARG A 49 76.201 7.752 -7.883 1.00 0.00 H new ATOM 0 HB3 ARG A 49 77.682 6.835 -7.692 1.00 0.00 H new ATOM 0 HG2 ARG A 49 77.362 7.618 -5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 49 75.681 7.670 -5.601 1.00 0.00 H new ATOM 0 HD2 ARG A 49 75.870 5.322 -6.466 1.00 0.00 H new ATOM 0 HD3 ARG A 49 77.545 5.272 -5.952 1.00 0.00 H new ATOM 0 HE ARG A 49 76.853 5.063 -3.697 1.00 0.00 H new ATOM 0 HH11 ARG A 49 74.239 5.912 -5.873 1.00 0.00 H new ATOM 0 HH12 ARG A 49 72.973 5.612 -4.678 1.00 0.00 H new ATOM 0 HH21 ARG A 49 75.222 4.681 -2.169 1.00 0.00 H new ATOM 0 HH22 ARG A 49 73.525 4.921 -2.598 1.00 0.00 H new ATOM 876 N TRP A 50 79.010 8.660 -9.309 1.00 0.00 N ATOM 877 CA TRP A 50 79.347 9.044 -10.679 1.00 0.00 C ATOM 878 C TRP A 50 78.522 8.242 -11.693 1.00 0.00 C ATOM 879 O TRP A 50 78.275 7.061 -11.492 1.00 0.00 O ATOM 880 CB TRP A 50 80.824 8.800 -10.944 1.00 0.00 C ATOM 881 CG TRP A 50 81.625 9.629 -10.002 1.00 0.00 C ATOM 882 CD1 TRP A 50 81.868 9.320 -8.708 1.00 0.00 C ATOM 883 CD2 TRP A 50 82.304 10.891 -10.259 1.00 0.00 C ATOM 884 NE1 TRP A 50 82.639 10.322 -8.150 1.00 0.00 N ATOM 885 CE2 TRP A 50 82.940 11.308 -9.067 1.00 0.00 C ATOM 886 CE3 TRP A 50 82.426 11.709 -11.399 1.00 0.00 C ATOM 887 CZ2 TRP A 50 83.672 12.491 -9.005 1.00 0.00 C ATOM 888 CZ3 TRP A 50 83.164 12.902 -11.339 1.00 0.00 C ATOM 889 CH2 TRP A 50 83.786 13.292 -10.144 1.00 0.00 C ATOM 0 H TRP A 50 79.460 7.807 -8.976 1.00 0.00 H new ATOM 0 HA TRP A 50 79.119 10.104 -10.793 1.00 0.00 H new ATOM 0 HB2 TRP A 50 81.061 7.744 -10.813 1.00 0.00 H new ATOM 0 HB3 TRP A 50 81.070 9.056 -11.975 1.00 0.00 H new ATOM 0 HD1 TRP A 50 81.517 8.436 -8.195 1.00 0.00 H new ATOM 0 HE1 TRP A 50 82.948 10.331 -7.178 1.00 0.00 H new ATOM 0 HE3 TRP A 50 81.950 11.417 -12.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 84.149 12.787 -8.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 83.253 13.523 -12.218 1.00 0.00 H new ATOM 0 HH2 TRP A 50 84.353 14.211 -10.104 1.00 0.00 H new ATOM 900 N PRO A 51 78.101 8.850 -12.776 1.00 0.00 N ATOM 901 CA PRO A 51 77.288 8.150 -13.820 1.00 0.00 C ATOM 902 C PRO A 51 78.075 7.059 -14.547 1.00 0.00 C ATOM 903 O PRO A 51 77.494 6.137 -15.120 1.00 0.00 O ATOM 904 CB PRO A 51 76.895 9.267 -14.788 1.00 0.00 C ATOM 905 CG PRO A 51 77.933 10.321 -14.606 1.00 0.00 C ATOM 906 CD PRO A 51 78.352 10.259 -13.144 1.00 0.00 C ATOM 0 HA PRO A 51 76.434 7.633 -13.382 1.00 0.00 H new ATOM 0 HB2 PRO A 51 76.874 8.908 -15.817 1.00 0.00 H new ATOM 0 HB3 PRO A 51 75.900 9.651 -14.564 1.00 0.00 H new ATOM 0 HG2 PRO A 51 78.785 10.145 -15.263 1.00 0.00 H new ATOM 0 HG3 PRO A 51 77.536 11.305 -14.855 1.00 0.00 H new ATOM 0 HD2 PRO A 51 79.400 10.528 -13.015 1.00 0.00 H new ATOM 0 HD3 PRO A 51 77.769 10.945 -12.529 1.00 0.00 H new ATOM 914 N GLU A 52 79.395 7.197 -14.552 1.00 0.00 N ATOM 915 CA GLU A 52 80.241 6.238 -15.257 1.00 0.00 C ATOM 916 C GLU A 52 79.893 4.816 -14.828 1.00 0.00 C ATOM 917 O GLU A 52 79.636 3.955 -15.669 1.00 0.00 O ATOM 918 CB GLU A 52 81.709 6.515 -14.921 1.00 0.00 C ATOM 919 CG GLU A 52 82.621 5.633 -15.779 1.00 0.00 C ATOM 920 CD GLU A 52 82.521 6.061 -17.239 1.00 0.00 C ATOM 921 OE1 GLU A 52 82.092 7.179 -17.477 1.00 0.00 O ATOM 922 OE2 GLU A 52 82.875 5.268 -18.096 1.00 0.00 O ATOM 0 H GLU A 52 79.898 7.951 -14.084 1.00 0.00 H new ATOM 0 HA GLU A 52 80.076 6.341 -16.330 1.00 0.00 H new ATOM 0 HB2 GLU A 52 81.938 7.566 -15.095 1.00 0.00 H new ATOM 0 HB3 GLU A 52 81.891 6.320 -13.864 1.00 0.00 H new ATOM 0 HG2 GLU A 52 83.652 5.716 -15.435 1.00 0.00 H new ATOM 0 HG3 GLU A 52 82.334 4.587 -15.676 1.00 0.00 H new ATOM 929 N THR A 53 79.892 4.578 -13.522 1.00 0.00 N ATOM 930 CA THR A 53 79.575 3.256 -12.994 1.00 0.00 C ATOM 931 C THR A 53 78.537 3.344 -11.877 1.00 0.00 C ATOM 932 O THR A 53 77.788 2.394 -11.647 1.00 0.00 O ATOM 933 CB THR A 53 80.840 2.602 -12.450 1.00 0.00 C ATOM 934 OG1 THR A 53 81.490 3.522 -11.592 1.00 0.00 O ATOM 935 CG2 THR A 53 81.776 2.215 -13.597 1.00 0.00 C ATOM 0 H THR A 53 80.106 5.279 -12.812 1.00 0.00 H new ATOM 0 HA THR A 53 79.164 2.657 -13.807 1.00 0.00 H new ATOM 0 HB THR A 53 80.576 1.698 -11.902 1.00 0.00 H new ATOM 0 HG1 THR A 53 81.770 3.063 -10.772 1.00 0.00 H new ATOM 0 HG21 THR A 53 82.675 1.749 -13.192 1.00 0.00 H new ATOM 0 HG22 THR A 53 81.270 1.512 -14.258 1.00 0.00 H new ATOM 0 HG23 THR A 53 82.052 3.108 -14.159 1.00 0.00 H new ATOM 943 N GLY A 54 78.491 4.484 -11.186 1.00 0.00 N ATOM 944 CA GLY A 54 77.531 4.651 -10.098 1.00 0.00 C ATOM 945 C GLY A 54 78.163 4.357 -8.744 1.00 0.00 C ATOM 946 O GLY A 54 77.473 3.944 -7.813 1.00 0.00 O ATOM 0 H GLY A 54 79.094 5.289 -11.356 1.00 0.00 H new ATOM 0 HA2 GLY A 54 77.144 5.670 -10.106 1.00 0.00 H new ATOM 0 HA3 GLY A 54 76.682 3.986 -10.256 1.00 0.00 H new ATOM 950 N TYR A 55 79.471 4.558 -8.635 1.00 0.00 N ATOM 951 CA TYR A 55 80.154 4.298 -7.375 1.00 0.00 C ATOM 952 C TYR A 55 80.138 5.538 -6.490 1.00 0.00 C ATOM 953 O TYR A 55 79.937 6.659 -6.967 1.00 0.00 O ATOM 954 CB TYR A 55 81.600 3.841 -7.614 1.00 0.00 C ATOM 955 CG TYR A 55 81.632 2.528 -8.380 1.00 0.00 C ATOM 956 CD1 TYR A 55 80.838 1.430 -7.993 1.00 0.00 C ATOM 957 CD2 TYR A 55 82.459 2.415 -9.500 1.00 0.00 C ATOM 958 CE1 TYR A 55 80.884 0.246 -8.731 1.00 0.00 C ATOM 959 CE2 TYR A 55 82.499 1.226 -10.236 1.00 0.00 C ATOM 960 CZ TYR A 55 81.708 0.144 -9.850 1.00 0.00 C ATOM 961 OH TYR A 55 81.735 -1.028 -10.572 1.00 0.00 O ATOM 0 H TYR A 55 80.070 4.894 -9.389 1.00 0.00 H new ATOM 0 HA TYR A 55 79.620 3.495 -6.867 1.00 0.00 H new ATOM 0 HB2 TYR A 55 82.140 4.606 -8.172 1.00 0.00 H new ATOM 0 HB3 TYR A 55 82.111 3.722 -6.659 1.00 0.00 H new ATOM 0 HD1 TYR A 55 80.196 1.504 -7.128 1.00 0.00 H new ATOM 0 HD2 TYR A 55 83.072 3.252 -9.800 1.00 0.00 H new ATOM 0 HE1 TYR A 55 80.277 -0.596 -8.433 1.00 0.00 H new ATOM 0 HE2 TYR A 55 83.141 1.146 -11.101 1.00 0.00 H new ATOM 0 HH TYR A 55 82.655 -1.362 -10.619 1.00 0.00 H new ATOM 971 N VAL A 56 80.326 5.309 -5.194 1.00 0.00 N ATOM 972 CA VAL A 56 80.307 6.392 -4.226 1.00 0.00 C ATOM 973 C VAL A 56 81.382 7.410 -4.562 1.00 0.00 C ATOM 974 O VAL A 56 82.554 7.068 -4.703 1.00 0.00 O ATOM 975 CB VAL A 56 80.544 5.835 -2.818 1.00 0.00 C ATOM 976 CG1 VAL A 56 80.483 6.976 -1.802 1.00 0.00 C ATOM 977 CG2 VAL A 56 79.471 4.803 -2.474 1.00 0.00 C ATOM 0 H VAL A 56 80.492 4.385 -4.794 1.00 0.00 H new ATOM 0 HA VAL A 56 79.333 6.880 -4.261 1.00 0.00 H new ATOM 0 HB VAL A 56 81.525 5.360 -2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 56 80.651 6.581 -0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 56 81.252 7.713 -2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 56 79.502 7.449 -1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 56 79.649 4.414 -1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 56 78.488 5.273 -2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 56 79.509 3.985 -3.193 1.00 0.00 H new ATOM 987 N LYS A 57 80.975 8.666 -4.683 1.00 0.00 N ATOM 988 CA LYS A 57 81.913 9.735 -4.994 1.00 0.00 C ATOM 989 C LYS A 57 82.676 10.161 -3.748 1.00 0.00 C ATOM 990 O LYS A 57 83.905 10.258 -3.764 1.00 0.00 O ATOM 991 CB LYS A 57 81.161 10.931 -5.591 1.00 0.00 C ATOM 992 CG LYS A 57 82.093 12.143 -5.688 1.00 0.00 C ATOM 993 CD LYS A 57 81.413 13.247 -6.491 1.00 0.00 C ATOM 994 CE LYS A 57 82.224 14.537 -6.361 1.00 0.00 C ATOM 995 NZ LYS A 57 81.635 15.586 -7.235 1.00 0.00 N ATOM 0 H LYS A 57 80.007 8.968 -4.571 1.00 0.00 H new ATOM 0 HA LYS A 57 82.632 9.365 -5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 57 80.781 10.675 -6.580 1.00 0.00 H new ATOM 0 HB3 LYS A 57 80.298 11.174 -4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 57 82.341 12.505 -4.690 1.00 0.00 H new ATOM 0 HG3 LYS A 57 83.030 11.857 -6.165 1.00 0.00 H new ATOM 0 HD2 LYS A 57 81.336 12.956 -7.539 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.397 13.404 -6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 57 82.228 14.873 -5.324 1.00 0.00 H new ATOM 0 HE3 LYS A 57 83.262 14.356 -6.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 82.187 16.463 -7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 81.653 15.264 -8.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 80.652 15.766 -6.948 1.00 0.00 H new ATOM 1009 N LYS A 58 81.945 10.423 -2.673 1.00 0.00 N ATOM 1010 CA LYS A 58 82.568 10.847 -1.430 1.00 0.00 C ATOM 1011 C LYS A 58 81.901 10.166 -0.249 1.00 0.00 C ATOM 1012 O LYS A 58 80.685 9.986 -0.232 1.00 0.00 O ATOM 1013 CB LYS A 58 82.452 12.371 -1.296 1.00 0.00 C ATOM 1014 CG LYS A 58 80.978 12.779 -1.177 1.00 0.00 C ATOM 1015 CD LYS A 58 80.875 14.305 -1.171 1.00 0.00 C ATOM 1016 CE LYS A 58 79.412 14.716 -0.987 1.00 0.00 C ATOM 1017 NZ LYS A 58 79.299 16.201 -1.015 1.00 0.00 N ATOM 0 H LYS A 58 80.928 10.350 -2.638 1.00 0.00 H new ATOM 0 HA LYS A 58 83.621 10.565 -1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 58 83.003 12.710 -0.419 1.00 0.00 H new ATOM 0 HB3 LYS A 58 82.903 12.855 -2.162 1.00 0.00 H new ATOM 0 HG2 LYS A 58 80.407 12.368 -2.009 1.00 0.00 H new ATOM 0 HG3 LYS A 58 80.548 12.370 -0.262 1.00 0.00 H new ATOM 0 HD2 LYS A 58 81.484 14.718 -0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 58 81.263 14.710 -2.105 1.00 0.00 H new ATOM 0 HE2 LYS A 58 78.800 14.280 -1.777 1.00 0.00 H new ATOM 0 HE3 LYS A 58 79.033 14.331 -0.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 78.304 16.476 -0.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 79.870 16.607 -0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 79.644 16.558 -1.929 1.00 0.00 H new ATOM 1031 N LEU A 59 82.694 9.786 0.741 1.00 0.00 N ATOM 1032 CA LEU A 59 82.136 9.127 1.914 1.00 0.00 C ATOM 1033 C LEU A 59 82.935 9.499 3.152 1.00 0.00 C ATOM 1034 O LEU A 59 84.161 9.399 3.167 1.00 0.00 O ATOM 1035 CB LEU A 59 82.177 7.608 1.716 1.00 0.00 C ATOM 1036 CG LEU A 59 81.017 6.923 2.424 1.00 0.00 C ATOM 1037 CD1 LEU A 59 79.669 7.405 1.876 1.00 0.00 C ATOM 1038 CD2 LEU A 59 81.120 5.406 2.237 1.00 0.00 C ATOM 0 H LEU A 59 83.705 9.918 0.759 1.00 0.00 H new ATOM 0 HA LEU A 59 81.104 9.451 2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 59 82.142 7.378 0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 59 83.120 7.216 2.096 1.00 0.00 H new ATOM 0 HG LEU A 59 81.073 7.176 3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 59 78.860 6.898 2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 59 79.580 8.481 2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 59 79.607 7.180 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 59 80.288 4.919 2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 59 81.085 5.167 1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 59 82.060 5.050 2.658 1.00 0.00 H new ATOM 1050 N GLN A 60 82.232 9.938 4.187 1.00 0.00 N ATOM 1051 CA GLN A 60 82.883 10.333 5.429 1.00 0.00 C ATOM 1052 C GLN A 60 83.237 9.114 6.271 1.00 0.00 C ATOM 1053 O GLN A 60 82.432 8.200 6.434 1.00 0.00 O ATOM 1054 CB GLN A 60 81.962 11.246 6.233 1.00 0.00 C ATOM 1055 CG GLN A 60 82.759 11.909 7.358 1.00 0.00 C ATOM 1056 CD GLN A 60 81.808 12.384 8.448 1.00 0.00 C ATOM 1057 OE1 GLN A 60 80.849 11.686 8.780 1.00 0.00 O ATOM 1058 NE2 GLN A 60 82.023 13.525 9.041 1.00 0.00 N ATOM 0 H GLN A 60 81.216 10.029 4.192 1.00 0.00 H new ATOM 0 HA GLN A 60 83.800 10.864 5.174 1.00 0.00 H new ATOM 0 HB2 GLN A 60 81.528 12.006 5.583 1.00 0.00 H new ATOM 0 HB3 GLN A 60 81.134 10.671 6.649 1.00 0.00 H new ATOM 0 HG2 GLN A 60 83.479 11.203 7.772 1.00 0.00 H new ATOM 0 HG3 GLN A 60 83.328 12.752 6.966 1.00 0.00 H new ATOM 0 HE21 GLN A 60 82.818 14.102 8.765 1.00 0.00 H new ATOM 0 HE22 GLN A 60 81.397 13.841 9.781 1.00 0.00 H new ATOM 1067 N ARG A 61 84.458 9.100 6.782 1.00 0.00 N ATOM 1068 CA ARG A 61 84.911 7.975 7.587 1.00 0.00 C ATOM 1069 C ARG A 61 84.314 8.036 8.986 1.00 0.00 C ATOM 1070 O ARG A 61 83.735 9.046 9.388 1.00 0.00 O ATOM 1071 CB ARG A 61 86.436 7.963 7.683 1.00 0.00 C ATOM 1072 CG ARG A 61 87.030 8.156 6.292 1.00 0.00 C ATOM 1073 CD ARG A 61 88.374 7.432 6.189 1.00 0.00 C ATOM 1074 NE ARG A 61 89.311 7.958 7.173 1.00 0.00 N ATOM 1075 CZ ARG A 61 90.553 7.496 7.255 1.00 0.00 C ATOM 1076 NH1 ARG A 61 90.958 6.562 6.437 1.00 0.00 N ATOM 1077 NH2 ARG A 61 91.369 7.976 8.151 1.00 0.00 N ATOM 0 H ARG A 61 85.145 9.843 6.657 1.00 0.00 H new ATOM 0 HA ARG A 61 84.576 7.060 7.099 1.00 0.00 H new ATOM 0 HB2 ARG A 61 86.776 8.756 8.349 1.00 0.00 H new ATOM 0 HB3 ARG A 61 86.778 7.020 8.109 1.00 0.00 H new ATOM 0 HG2 ARG A 61 86.343 7.772 5.538 1.00 0.00 H new ATOM 0 HG3 ARG A 61 87.164 9.219 6.090 1.00 0.00 H new ATOM 0 HD2 ARG A 61 88.232 6.363 6.348 1.00 0.00 H new ATOM 0 HD3 ARG A 61 88.784 7.553 5.186 1.00 0.00 H new ATOM 0 HE ARG A 61 89.007 8.694 7.810 1.00 0.00 H new ATOM 0 HH11 ARG A 61 90.320 6.187 5.735 1.00 0.00 H new ATOM 0 HH12 ARG A 61 91.912 6.207 6.500 1.00 0.00 H new ATOM 0 HH21 ARG A 61 91.053 8.706 8.789 1.00 0.00 H new ATOM 0 HH22 ARG A 61 92.323 7.621 8.214 1.00 0.00 H new ATOM 1091 N ARG A 62 84.473 6.947 9.733 1.00 0.00 N ATOM 1092 CA ARG A 62 83.957 6.897 11.096 1.00 0.00 C ATOM 1093 C ARG A 62 84.724 7.870 11.976 1.00 0.00 C ATOM 1094 O ARG A 62 84.362 8.100 13.129 1.00 0.00 O ATOM 1095 CB ARG A 62 84.069 5.482 11.672 1.00 0.00 C ATOM 1096 CG ARG A 62 82.684 4.828 11.718 1.00 0.00 C ATOM 1097 CD ARG A 62 81.882 5.403 12.888 1.00 0.00 C ATOM 1098 NE ARG A 62 80.480 5.539 12.515 1.00 0.00 N ATOM 1099 CZ ARG A 62 79.609 6.126 13.329 1.00 0.00 C ATOM 1100 NH1 ARG A 62 80.007 6.594 14.480 1.00 0.00 N ATOM 1101 NH2 ARG A 62 78.360 6.238 12.973 1.00 0.00 N ATOM 0 H ARG A 62 84.948 6.099 9.423 1.00 0.00 H new ATOM 0 HA ARG A 62 82.904 7.179 11.073 1.00 0.00 H new ATOM 0 HB2 ARG A 62 84.744 4.883 11.060 1.00 0.00 H new ATOM 0 HB3 ARG A 62 84.496 5.520 12.674 1.00 0.00 H new ATOM 0 HG2 ARG A 62 82.156 5.005 10.781 1.00 0.00 H new ATOM 0 HG3 ARG A 62 82.784 3.748 11.829 1.00 0.00 H new ATOM 0 HD2 ARG A 62 81.974 4.751 13.757 1.00 0.00 H new ATOM 0 HD3 ARG A 62 82.286 6.374 13.174 1.00 0.00 H new ATOM 0 HE ARG A 62 80.162 5.178 11.615 1.00 0.00 H new ATOM 0 HH11 ARG A 62 80.986 6.509 14.754 1.00 0.00 H new ATOM 0 HH12 ARG A 62 79.339 7.045 15.106 1.00 0.00 H new ATOM 0 HH21 ARG A 62 78.052 5.875 12.071 1.00 0.00 H new ATOM 0 HH22 ARG A 62 77.690 6.688 13.597 1.00 0.00 H new ATOM 1115 N ASP A 63 85.786 8.438 11.421 1.00 0.00 N ATOM 1116 CA ASP A 63 86.603 9.387 12.158 1.00 0.00 C ATOM 1117 C ASP A 63 86.227 10.820 11.812 1.00 0.00 C ATOM 1118 O ASP A 63 86.960 11.751 12.146 1.00 0.00 O ATOM 1119 CB ASP A 63 88.079 9.170 11.855 1.00 0.00 C ATOM 1120 CG ASP A 63 88.549 7.864 12.483 1.00 0.00 C ATOM 1121 OD1 ASP A 63 87.839 7.346 13.332 1.00 0.00 O ATOM 1122 OD2 ASP A 63 89.610 7.399 12.107 1.00 0.00 O ATOM 0 H ASP A 63 86.099 8.258 10.467 1.00 0.00 H new ATOM 0 HA ASP A 63 86.421 9.221 13.220 1.00 0.00 H new ATOM 0 HB2 ASP A 63 88.238 9.144 10.777 1.00 0.00 H new ATOM 0 HB3 ASP A 63 88.666 10.003 12.243 1.00 0.00 H new ATOM 1127 N ASN A 64 85.095 10.990 11.133 1.00 0.00 N ATOM 1128 CA ASN A 64 84.621 12.317 10.735 1.00 0.00 C ATOM 1129 C ASN A 64 85.561 12.967 9.730 1.00 0.00 C ATOM 1130 O ASN A 64 85.777 14.178 9.756 1.00 0.00 O ATOM 1131 CB ASN A 64 84.461 13.226 11.957 1.00 0.00 C ATOM 1132 CG ASN A 64 83.537 12.573 12.974 1.00 0.00 C ATOM 1133 OD1 ASN A 64 82.611 11.852 12.606 1.00 0.00 O ATOM 1134 ND2 ASN A 64 83.731 12.796 14.240 1.00 0.00 N ATOM 0 H ASN A 64 84.486 10.224 10.845 1.00 0.00 H new ATOM 0 HA ASN A 64 83.649 12.184 10.260 1.00 0.00 H new ATOM 0 HB2 ASN A 64 85.435 13.417 12.408 1.00 0.00 H new ATOM 0 HB3 ASN A 64 84.056 14.191 11.652 1.00 0.00 H new ATOM 0 HD21 ASN A 64 83.114 12.372 14.933 1.00 0.00 H new ATOM 0 HD22 ASN A 64 84.500 13.395 14.540 1.00 0.00 H new ATOM 1141 N THR A 65 86.103 12.148 8.832 1.00 0.00 N ATOM 1142 CA THR A 65 87.004 12.647 7.801 1.00 0.00 C ATOM 1143 C THR A 65 86.442 12.356 6.415 1.00 0.00 C ATOM 1144 O THR A 65 86.007 11.241 6.132 1.00 0.00 O ATOM 1145 CB THR A 65 88.377 11.988 7.951 1.00 0.00 C ATOM 1146 OG1 THR A 65 88.222 10.577 8.029 1.00 0.00 O ATOM 1147 CG2 THR A 65 89.047 12.508 9.223 1.00 0.00 C ATOM 0 H THR A 65 85.934 11.143 8.798 1.00 0.00 H new ATOM 0 HA THR A 65 87.105 13.726 7.918 1.00 0.00 H new ATOM 0 HB THR A 65 88.998 12.230 7.089 1.00 0.00 H new ATOM 0 HG1 THR A 65 88.583 10.255 8.881 1.00 0.00 H new ATOM 0 HG21 THR A 65 90.026 12.042 9.335 1.00 0.00 H new ATOM 0 HG22 THR A 65 89.166 13.589 9.156 1.00 0.00 H new ATOM 0 HG23 THR A 65 88.428 12.264 10.086 1.00 0.00 H new ATOM 1155 N PHE A 66 86.440 13.369 5.554 1.00 0.00 N ATOM 1156 CA PHE A 66 85.914 13.200 4.206 1.00 0.00 C ATOM 1157 C PHE A 66 86.924 12.457 3.343 1.00 0.00 C ATOM 1158 O PHE A 66 88.056 12.908 3.174 1.00 0.00 O ATOM 1159 CB PHE A 66 85.623 14.568 3.582 1.00 0.00 C ATOM 1160 CG PHE A 66 84.444 15.206 4.276 1.00 0.00 C ATOM 1161 CD1 PHE A 66 83.159 14.687 4.083 1.00 0.00 C ATOM 1162 CD2 PHE A 66 84.634 16.312 5.113 1.00 0.00 C ATOM 1163 CE1 PHE A 66 82.064 15.274 4.727 1.00 0.00 C ATOM 1164 CE2 PHE A 66 83.539 16.900 5.756 1.00 0.00 C ATOM 1165 CZ PHE A 66 82.253 16.380 5.563 1.00 0.00 C ATOM 0 H PHE A 66 86.792 14.303 5.763 1.00 0.00 H new ATOM 0 HA PHE A 66 84.991 12.623 4.260 1.00 0.00 H new ATOM 0 HB2 PHE A 66 86.499 15.211 3.668 1.00 0.00 H new ATOM 0 HB3 PHE A 66 85.413 14.456 2.518 1.00 0.00 H new ATOM 0 HD1 PHE A 66 83.012 13.834 3.437 1.00 0.00 H new ATOM 0 HD2 PHE A 66 85.626 16.712 5.263 1.00 0.00 H new ATOM 0 HE1 PHE A 66 81.072 14.873 4.579 1.00 0.00 H new ATOM 0 HE2 PHE A 66 83.685 17.754 6.401 1.00 0.00 H new ATOM 0 HZ PHE A 66 81.407 16.833 6.059 1.00 0.00 H new ATOM 1175 N PHE A 67 86.506 11.314 2.805 1.00 0.00 N ATOM 1176 CA PHE A 67 87.382 10.509 1.963 1.00 0.00 C ATOM 1177 C PHE A 67 86.777 10.347 0.575 1.00 0.00 C ATOM 1178 O PHE A 67 85.714 9.746 0.417 1.00 0.00 O ATOM 1179 CB PHE A 67 87.582 9.129 2.595 1.00 0.00 C ATOM 1180 CG PHE A 67 88.669 8.388 1.856 1.00 0.00 C ATOM 1181 CD1 PHE A 67 88.350 7.595 0.747 1.00 0.00 C ATOM 1182 CD2 PHE A 67 90.001 8.500 2.276 1.00 0.00 C ATOM 1183 CE1 PHE A 67 89.360 6.912 0.061 1.00 0.00 C ATOM 1184 CE2 PHE A 67 91.010 7.817 1.589 1.00 0.00 C ATOM 1185 CZ PHE A 67 90.690 7.022 0.482 1.00 0.00 C ATOM 0 H PHE A 67 85.571 10.927 2.937 1.00 0.00 H new ATOM 0 HA PHE A 67 88.344 11.014 1.875 1.00 0.00 H new ATOM 0 HB2 PHE A 67 87.850 9.234 3.646 1.00 0.00 H new ATOM 0 HB3 PHE A 67 86.652 8.562 2.558 1.00 0.00 H new ATOM 0 HD1 PHE A 67 87.324 7.511 0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 67 90.249 9.113 3.130 1.00 0.00 H new ATOM 0 HE1 PHE A 67 89.113 6.300 -0.794 1.00 0.00 H new ATOM 0 HE2 PHE A 67 92.037 7.903 1.913 1.00 0.00 H new ATOM 0 HZ PHE A 67 91.469 6.494 -0.047 1.00 0.00 H new ATOM 1195 N TYR A 68 87.460 10.882 -0.429 1.00 0.00 N ATOM 1196 CA TYR A 68 86.976 10.784 -1.795 1.00 0.00 C ATOM 1197 C TYR A 68 87.361 9.435 -2.390 1.00 0.00 C ATOM 1198 O TYR A 68 88.510 9.003 -2.288 1.00 0.00 O ATOM 1199 CB TYR A 68 87.569 11.910 -2.646 1.00 0.00 C ATOM 1200 CG TYR A 68 86.998 13.240 -2.205 1.00 0.00 C ATOM 1201 CD1 TYR A 68 85.663 13.554 -2.486 1.00 0.00 C ATOM 1202 CD2 TYR A 68 87.803 14.156 -1.514 1.00 0.00 C ATOM 1203 CE1 TYR A 68 85.133 14.784 -2.077 1.00 0.00 C ATOM 1204 CE2 TYR A 68 87.271 15.386 -1.106 1.00 0.00 C ATOM 1205 CZ TYR A 68 85.937 15.700 -1.387 1.00 0.00 C ATOM 1206 OH TYR A 68 85.412 16.911 -0.984 1.00 0.00 O ATOM 0 H TYR A 68 88.342 11.383 -0.323 1.00 0.00 H new ATOM 0 HA TYR A 68 85.890 10.876 -1.788 1.00 0.00 H new ATOM 0 HB2 TYR A 68 88.655 11.919 -2.548 1.00 0.00 H new ATOM 0 HB3 TYR A 68 87.345 11.739 -3.699 1.00 0.00 H new ATOM 0 HD1 TYR A 68 85.042 12.848 -3.018 1.00 0.00 H new ATOM 0 HD2 TYR A 68 88.833 13.914 -1.296 1.00 0.00 H new ATOM 0 HE1 TYR A 68 84.103 15.027 -2.294 1.00 0.00 H new ATOM 0 HE2 TYR A 68 87.891 16.092 -0.574 1.00 0.00 H new ATOM 0 HH TYR A 68 86.102 17.428 -0.518 1.00 0.00 H new ATOM 1216 N TYR A 69 86.391 8.778 -3.014 1.00 0.00 N ATOM 1217 CA TYR A 69 86.629 7.477 -3.628 1.00 0.00 C ATOM 1218 C TYR A 69 86.835 7.621 -5.132 1.00 0.00 C ATOM 1219 O TYR A 69 86.384 8.590 -5.742 1.00 0.00 O ATOM 1220 CB TYR A 69 85.464 6.529 -3.346 1.00 0.00 C ATOM 1221 CG TYR A 69 85.571 5.994 -1.935 1.00 0.00 C ATOM 1222 CD1 TYR A 69 84.992 6.689 -0.862 1.00 0.00 C ATOM 1223 CD2 TYR A 69 86.250 4.790 -1.703 1.00 0.00 C ATOM 1224 CE1 TYR A 69 85.098 6.173 0.436 1.00 0.00 C ATOM 1225 CE2 TYR A 69 86.354 4.283 -0.404 1.00 0.00 C ATOM 1226 CZ TYR A 69 85.777 4.975 0.663 1.00 0.00 C ATOM 1227 OH TYR A 69 85.874 4.476 1.944 1.00 0.00 O ATOM 0 H TYR A 69 85.436 9.123 -3.108 1.00 0.00 H new ATOM 0 HA TYR A 69 87.535 7.057 -3.192 1.00 0.00 H new ATOM 0 HB2 TYR A 69 84.517 7.053 -3.476 1.00 0.00 H new ATOM 0 HB3 TYR A 69 85.473 5.705 -4.059 1.00 0.00 H new ATOM 0 HD1 TYR A 69 84.467 7.617 -1.036 1.00 0.00 H new ATOM 0 HD2 TYR A 69 86.693 4.253 -2.529 1.00 0.00 H new ATOM 0 HE1 TYR A 69 84.653 6.704 1.264 1.00 0.00 H new ATOM 0 HE2 TYR A 69 86.880 3.357 -0.226 1.00 0.00 H new ATOM 0 HH TYR A 69 85.068 3.961 2.156 1.00 0.00 H new ATOM 1237 N ASN A 70 87.520 6.648 -5.721 1.00 0.00 N ATOM 1238 CA ASN A 70 87.790 6.663 -7.152 1.00 0.00 C ATOM 1239 C ASN A 70 86.733 5.885 -7.927 1.00 0.00 C ATOM 1240 O ASN A 70 86.601 4.672 -7.770 1.00 0.00 O ATOM 1241 CB ASN A 70 89.169 6.062 -7.428 1.00 0.00 C ATOM 1242 CG ASN A 70 89.470 6.110 -8.921 1.00 0.00 C ATOM 1243 OD1 ASN A 70 89.333 7.156 -9.554 1.00 0.00 O ATOM 1244 ND2 ASN A 70 89.876 5.025 -9.524 1.00 0.00 N ATOM 0 H ASN A 70 87.898 5.839 -5.229 1.00 0.00 H new ATOM 0 HA ASN A 70 87.764 7.700 -7.485 1.00 0.00 H new ATOM 0 HB2 ASN A 70 89.932 6.613 -6.877 1.00 0.00 H new ATOM 0 HB3 ASN A 70 89.203 5.031 -7.075 1.00 0.00 H new ATOM 0 HD21 ASN A 70 90.081 5.043 -10.523 1.00 0.00 H new ATOM 0 HD22 ASN A 70 89.988 4.160 -8.996 1.00 0.00 H new ATOM 1251 N LYS A 71 85.987 6.592 -8.770 1.00 0.00 N ATOM 1252 CA LYS A 71 84.952 5.954 -9.572 1.00 0.00 C ATOM 1253 C LYS A 71 85.570 4.893 -10.480 1.00 0.00 C ATOM 1254 O LYS A 71 84.893 3.968 -10.926 1.00 0.00 O ATOM 1255 CB LYS A 71 84.224 7.001 -10.415 1.00 0.00 C ATOM 1256 CG LYS A 71 85.192 7.583 -11.445 1.00 0.00 C ATOM 1257 CD LYS A 71 84.886 7.001 -12.824 1.00 0.00 C ATOM 1258 CE LYS A 71 85.856 7.585 -13.850 1.00 0.00 C ATOM 1259 NZ LYS A 71 85.934 6.681 -15.032 1.00 0.00 N ATOM 0 H LYS A 71 86.079 7.598 -8.914 1.00 0.00 H new ATOM 0 HA LYS A 71 84.236 5.474 -8.905 1.00 0.00 H new ATOM 0 HB2 LYS A 71 83.369 6.549 -10.918 1.00 0.00 H new ATOM 0 HB3 LYS A 71 83.836 7.794 -9.775 1.00 0.00 H new ATOM 0 HG2 LYS A 71 85.102 8.669 -11.470 1.00 0.00 H new ATOM 0 HG3 LYS A 71 86.220 7.354 -11.163 1.00 0.00 H new ATOM 0 HD2 LYS A 71 84.976 5.915 -12.800 1.00 0.00 H new ATOM 0 HD3 LYS A 71 83.859 7.230 -13.107 1.00 0.00 H new ATOM 0 HE2 LYS A 71 85.523 8.576 -14.158 1.00 0.00 H new ATOM 0 HE3 LYS A 71 86.844 7.705 -13.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 86.906 6.676 -15.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 85.666 5.717 -14.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 85.284 7.019 -15.771 1.00 0.00 H new ATOM 1273 N GLU A 72 86.861 5.021 -10.750 1.00 0.00 N ATOM 1274 CA GLU A 72 87.547 4.054 -11.595 1.00 0.00 C ATOM 1275 C GLU A 72 87.912 2.816 -10.769 1.00 0.00 C ATOM 1276 O GLU A 72 89.078 2.448 -10.650 1.00 0.00 O ATOM 1277 CB GLU A 72 88.805 4.696 -12.203 1.00 0.00 C ATOM 1278 CG GLU A 72 88.615 4.878 -13.709 1.00 0.00 C ATOM 1279 CD GLU A 72 88.567 3.517 -14.396 1.00 0.00 C ATOM 1280 OE1 GLU A 72 88.812 2.528 -13.725 1.00 0.00 O ATOM 1281 OE2 GLU A 72 88.290 3.485 -15.584 1.00 0.00 O ATOM 0 H GLU A 72 87.450 5.777 -10.400 1.00 0.00 H new ATOM 0 HA GLU A 72 86.890 3.746 -12.408 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.997 5.660 -11.732 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.675 4.068 -12.010 1.00 0.00 H new ATOM 0 HG2 GLU A 72 87.693 5.426 -13.904 1.00 0.00 H new ATOM 0 HG3 GLU A 72 89.432 5.473 -14.118 1.00 0.00 H new ATOM 1365 N LYS A 78 91.381 -10.116 -5.470 1.00 0.00 N ATOM 1366 CA LYS A 78 92.183 -9.978 -4.258 1.00 0.00 C ATOM 1367 C LYS A 78 91.401 -9.244 -3.177 1.00 0.00 C ATOM 1368 O LYS A 78 91.514 -9.556 -1.985 1.00 0.00 O ATOM 1369 CB LYS A 78 93.476 -9.216 -4.559 1.00 0.00 C ATOM 1370 CG LYS A 78 94.448 -10.123 -5.319 1.00 0.00 C ATOM 1371 CD LYS A 78 93.820 -10.555 -6.645 1.00 0.00 C ATOM 1372 CE LYS A 78 94.916 -11.015 -7.605 1.00 0.00 C ATOM 1373 NZ LYS A 78 94.294 -11.455 -8.885 1.00 0.00 N ATOM 0 HA LYS A 78 92.429 -10.978 -3.900 1.00 0.00 H new ATOM 0 HB2 LYS A 78 93.256 -8.327 -5.150 1.00 0.00 H new ATOM 0 HB3 LYS A 78 93.933 -8.876 -3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 78 95.384 -9.596 -5.504 1.00 0.00 H new ATOM 0 HG3 LYS A 78 94.689 -10.999 -4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 78 93.108 -11.363 -6.476 1.00 0.00 H new ATOM 0 HD3 LYS A 78 93.263 -9.726 -7.083 1.00 0.00 H new ATOM 0 HE2 LYS A 78 95.619 -10.203 -7.789 1.00 0.00 H new ATOM 0 HE3 LYS A 78 95.483 -11.834 -7.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 95.037 -11.769 -9.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 93.639 -12.242 -8.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 93.771 -10.662 -9.308 1.00 0.00 H new ATOM 1387 N GLU A 79 90.583 -8.282 -3.598 1.00 0.00 N ATOM 1388 CA GLU A 79 89.780 -7.512 -2.663 1.00 0.00 C ATOM 1389 C GLU A 79 88.570 -8.320 -2.232 1.00 0.00 C ATOM 1390 O GLU A 79 88.132 -8.234 -1.101 1.00 0.00 O ATOM 1391 CB GLU A 79 89.320 -6.209 -3.318 1.00 0.00 C ATOM 1392 CG GLU A 79 90.459 -5.188 -3.266 1.00 0.00 C ATOM 1393 CD GLU A 79 91.684 -5.743 -3.984 1.00 0.00 C ATOM 1394 OE1 GLU A 79 91.785 -5.543 -5.183 1.00 0.00 O ATOM 1395 OE2 GLU A 79 92.503 -6.360 -3.323 1.00 0.00 O ATOM 0 H GLU A 79 90.462 -8.021 -4.577 1.00 0.00 H new ATOM 0 HA GLU A 79 90.386 -7.278 -1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 79 89.027 -6.392 -4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 79 88.443 -5.819 -2.802 1.00 0.00 H new ATOM 0 HG2 GLU A 79 90.144 -4.255 -3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 79 90.707 -4.958 -2.230 1.00 0.00 H new ATOM 1402 N VAL A 80 88.031 -9.119 -3.128 1.00 0.00 N ATOM 1403 CA VAL A 80 86.876 -9.927 -2.772 1.00 0.00 C ATOM 1404 C VAL A 80 87.214 -10.892 -1.640 1.00 0.00 C ATOM 1405 O VAL A 80 86.438 -11.057 -0.704 1.00 0.00 O ATOM 1406 CB VAL A 80 86.421 -10.717 -3.990 1.00 0.00 C ATOM 1407 CG1 VAL A 80 85.347 -11.741 -3.600 1.00 0.00 C ATOM 1408 CG2 VAL A 80 85.849 -9.739 -4.996 1.00 0.00 C ATOM 0 H VAL A 80 88.361 -9.228 -4.087 1.00 0.00 H new ATOM 0 HA VAL A 80 86.079 -9.264 -2.435 1.00 0.00 H new ATOM 0 HB VAL A 80 87.267 -11.257 -4.415 1.00 0.00 H new ATOM 0 HG11 VAL A 80 85.035 -12.296 -4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 80 85.755 -12.433 -2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 80 84.488 -11.223 -3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 80 85.515 -10.281 -5.881 1.00 0.00 H new ATOM 0 HG22 VAL A 80 85.004 -9.213 -4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 80 86.616 -9.019 -5.280 1.00 0.00 H new ATOM 1418 N HIS A 81 88.360 -11.541 -1.755 1.00 0.00 N ATOM 1419 CA HIS A 81 88.786 -12.513 -0.748 1.00 0.00 C ATOM 1420 C HIS A 81 89.007 -11.864 0.617 1.00 0.00 C ATOM 1421 O HIS A 81 88.584 -12.405 1.639 1.00 0.00 O ATOM 1422 CB HIS A 81 90.085 -13.180 -1.191 1.00 0.00 C ATOM 1423 CG HIS A 81 90.433 -14.284 -0.232 1.00 0.00 C ATOM 1424 ND1 HIS A 81 91.226 -14.077 0.887 1.00 0.00 N ATOM 1425 CD2 HIS A 81 90.101 -15.616 -0.214 1.00 0.00 C ATOM 1426 CE1 HIS A 81 91.344 -15.257 1.524 1.00 0.00 C ATOM 1427 NE2 HIS A 81 90.677 -16.229 0.894 1.00 0.00 N ATOM 0 H HIS A 81 89.013 -11.418 -2.529 1.00 0.00 H new ATOM 0 HA HIS A 81 87.989 -13.250 -0.652 1.00 0.00 H new ATOM 0 HB2 HIS A 81 89.976 -13.580 -2.199 1.00 0.00 H new ATOM 0 HB3 HIS A 81 90.890 -12.446 -1.225 1.00 0.00 H new ATOM 0 HD2 HIS A 81 89.485 -16.113 -0.949 1.00 0.00 H new ATOM 0 HE1 HIS A 81 91.909 -15.401 2.433 1.00 0.00 H new ATOM 0 HE2 HIS A 81 90.606 -17.209 1.167 1.00 0.00 H new ATOM 1435 N LYS A 82 89.677 -10.713 0.639 1.00 0.00 N ATOM 1436 CA LYS A 82 89.934 -10.032 1.907 1.00 0.00 C ATOM 1437 C LYS A 82 88.703 -9.252 2.368 1.00 0.00 C ATOM 1438 O LYS A 82 88.549 -8.962 3.556 1.00 0.00 O ATOM 1439 CB LYS A 82 91.135 -9.094 1.764 1.00 0.00 C ATOM 1440 CG LYS A 82 90.830 -8.075 0.680 1.00 0.00 C ATOM 1441 CD LYS A 82 90.754 -6.672 1.284 1.00 0.00 C ATOM 1442 CE LYS A 82 92.127 -6.267 1.821 1.00 0.00 C ATOM 1443 NZ LYS A 82 92.467 -4.905 1.327 1.00 0.00 N ATOM 0 H LYS A 82 90.045 -10.241 -0.187 1.00 0.00 H new ATOM 0 HA LYS A 82 90.159 -10.785 2.662 1.00 0.00 H new ATOM 0 HB2 LYS A 82 91.336 -8.591 2.710 1.00 0.00 H new ATOM 0 HB3 LYS A 82 92.030 -9.662 1.508 1.00 0.00 H new ATOM 0 HG2 LYS A 82 91.603 -8.107 -0.088 1.00 0.00 H new ATOM 0 HG3 LYS A 82 89.886 -8.322 0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 82 90.423 -5.958 0.530 1.00 0.00 H new ATOM 0 HD3 LYS A 82 90.018 -6.651 2.088 1.00 0.00 H new ATOM 0 HE2 LYS A 82 92.122 -6.280 2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 82 92.882 -6.983 1.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 93.401 -4.627 1.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 92.487 -4.908 0.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 91.751 -4.227 1.657 1.00 0.00 H new ATOM 1457 N VAL A 83 87.826 -8.919 1.422 1.00 0.00 N ATOM 1458 CA VAL A 83 86.604 -8.177 1.741 1.00 0.00 C ATOM 1459 C VAL A 83 85.499 -9.122 2.193 1.00 0.00 C ATOM 1460 O VAL A 83 85.282 -10.174 1.591 1.00 0.00 O ATOM 1461 CB VAL A 83 86.126 -7.382 0.524 1.00 0.00 C ATOM 1462 CG1 VAL A 83 84.759 -6.768 0.816 1.00 0.00 C ATOM 1463 CG2 VAL A 83 87.126 -6.261 0.227 1.00 0.00 C ATOM 0 H VAL A 83 87.936 -9.149 0.434 1.00 0.00 H new ATOM 0 HA VAL A 83 86.835 -7.488 2.553 1.00 0.00 H new ATOM 0 HB VAL A 83 86.050 -8.048 -0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 83 84.421 -6.202 -0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 83 84.043 -7.561 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 83 84.835 -6.102 1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 83 86.789 -5.693 -0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 83 87.197 -5.599 1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 83 88.105 -6.693 0.019 1.00 0.00 H new ATOM 1473 N LYS A 84 84.801 -8.735 3.255 1.00 0.00 N ATOM 1474 CA LYS A 84 83.711 -9.546 3.785 1.00 0.00 C ATOM 1475 C LYS A 84 82.378 -8.858 3.522 1.00 0.00 C ATOM 1476 O LYS A 84 82.316 -7.634 3.445 1.00 0.00 O ATOM 1477 CB LYS A 84 83.898 -9.749 5.288 1.00 0.00 C ATOM 1478 CG LYS A 84 83.915 -8.401 5.998 1.00 0.00 C ATOM 1479 CD LYS A 84 84.189 -8.638 7.475 1.00 0.00 C ATOM 1480 CE LYS A 84 84.427 -7.296 8.149 1.00 0.00 C ATOM 1481 NZ LYS A 84 84.699 -7.495 9.596 1.00 0.00 N ATOM 0 H LYS A 84 84.970 -7.868 3.764 1.00 0.00 H new ATOM 0 HA LYS A 84 83.717 -10.516 3.289 1.00 0.00 H new ATOM 0 HB2 LYS A 84 83.092 -10.367 5.683 1.00 0.00 H new ATOM 0 HB3 LYS A 84 84.830 -10.281 5.478 1.00 0.00 H new ATOM 0 HG2 LYS A 84 84.682 -7.756 5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 84 82.960 -7.891 5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 84 83.345 -9.149 7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 84 85.059 -9.283 7.599 1.00 0.00 H new ATOM 0 HE2 LYS A 84 85.269 -6.788 7.679 1.00 0.00 H new ATOM 0 HE3 LYS A 84 83.555 -6.655 8.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 84.861 -6.573 10.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 83.883 -7.961 10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 85.544 -8.090 9.712 1.00 0.00 H new ATOM 1495 N VAL A 85 81.316 -9.648 3.383 1.00 0.00 N ATOM 1496 CA VAL A 85 79.994 -9.086 3.125 1.00 0.00 C ATOM 1497 C VAL A 85 79.033 -9.495 4.236 1.00 0.00 C ATOM 1498 O VAL A 85 78.825 -10.682 4.484 1.00 0.00 O ATOM 1499 CB VAL A 85 79.470 -9.592 1.777 1.00 0.00 C ATOM 1500 CG1 VAL A 85 78.118 -8.940 1.462 1.00 0.00 C ATOM 1501 CG2 VAL A 85 80.476 -9.251 0.676 1.00 0.00 C ATOM 0 H VAL A 85 81.344 -10.666 3.444 1.00 0.00 H new ATOM 0 HA VAL A 85 80.067 -7.999 3.097 1.00 0.00 H new ATOM 0 HB VAL A 85 79.340 -10.673 1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 85 77.753 -9.305 0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 85 77.401 -9.193 2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 85 78.238 -7.858 1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 85 80.102 -9.611 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 85 80.612 -8.171 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 85 81.431 -9.728 0.896 1.00 0.00 H new ATOM 1511 N TYR A 86 78.454 -8.507 4.909 1.00 0.00 N ATOM 1512 CA TYR A 86 77.528 -8.788 5.997 1.00 0.00 C ATOM 1513 C TYR A 86 76.127 -9.057 5.451 1.00 0.00 C ATOM 1514 O TYR A 86 75.699 -8.422 4.486 1.00 0.00 O ATOM 1515 CB TYR A 86 77.483 -7.604 6.959 1.00 0.00 C ATOM 1516 CG TYR A 86 76.547 -6.551 6.420 1.00 0.00 C ATOM 1517 CD1 TYR A 86 76.973 -5.669 5.423 1.00 0.00 C ATOM 1518 CD2 TYR A 86 75.248 -6.466 6.922 1.00 0.00 C ATOM 1519 CE1 TYR A 86 76.091 -4.700 4.927 1.00 0.00 C ATOM 1520 CE2 TYR A 86 74.366 -5.498 6.430 1.00 0.00 C ATOM 1521 CZ TYR A 86 74.787 -4.615 5.434 1.00 0.00 C ATOM 1522 OH TYR A 86 73.917 -3.660 4.947 1.00 0.00 O ATOM 0 H TYR A 86 78.607 -7.516 4.723 1.00 0.00 H new ATOM 0 HA TYR A 86 77.876 -9.675 6.528 1.00 0.00 H new ATOM 0 HB2 TYR A 86 77.148 -7.934 7.943 1.00 0.00 H new ATOM 0 HB3 TYR A 86 78.482 -7.187 7.086 1.00 0.00 H new ATOM 0 HD1 TYR A 86 77.979 -5.734 5.036 1.00 0.00 H new ATOM 0 HD2 TYR A 86 74.923 -7.149 7.692 1.00 0.00 H new ATOM 0 HE1 TYR A 86 76.416 -4.019 4.154 1.00 0.00 H new ATOM 0 HE2 TYR A 86 73.361 -5.434 6.820 1.00 0.00 H new ATOM 0 HH TYR A 86 73.054 -3.739 5.405 1.00 0.00 H new ATOM 1532 N VAL A 87 75.418 -9.995 6.078 1.00 0.00 N ATOM 1533 CA VAL A 87 74.064 -10.332 5.651 1.00 0.00 C ATOM 1534 C VAL A 87 73.089 -10.244 6.824 1.00 0.00 C ATOM 1535 O VAL A 87 73.345 -10.777 7.906 1.00 0.00 O ATOM 1536 CB VAL A 87 74.036 -11.750 5.067 1.00 0.00 C ATOM 1537 CG1 VAL A 87 74.679 -11.747 3.681 1.00 0.00 C ATOM 1538 CG2 VAL A 87 74.825 -12.692 5.978 1.00 0.00 C ATOM 0 H VAL A 87 75.757 -10.531 6.877 1.00 0.00 H new ATOM 0 HA VAL A 87 73.759 -9.617 4.887 1.00 0.00 H new ATOM 0 HB VAL A 87 73.002 -12.086 4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 87 74.658 -12.756 3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 87 74.126 -11.075 3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 87 75.712 -11.409 3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 87 74.805 -13.700 5.564 1.00 0.00 H new ATOM 0 HG22 VAL A 87 75.857 -12.349 6.050 1.00 0.00 H new ATOM 0 HG23 VAL A 87 74.375 -12.699 6.971 1.00 0.00 H new ATOM 1548 N TYR A 88 71.972 -9.563 6.594 1.00 0.00 N ATOM 1549 CA TYR A 88 70.957 -9.402 7.628 1.00 0.00 C ATOM 1550 C TYR A 88 69.778 -10.330 7.364 1.00 0.00 C ATOM 1551 O TYR A 88 68.891 -10.382 8.199 1.00 0.00 O ATOM 1552 CB TYR A 88 70.472 -7.950 7.669 1.00 0.00 C ATOM 1553 CG TYR A 88 69.818 -7.598 6.357 1.00 0.00 C ATOM 1554 CD1 TYR A 88 70.589 -7.091 5.305 1.00 0.00 C ATOM 1555 CD2 TYR A 88 68.439 -7.780 6.190 1.00 0.00 C ATOM 1556 CE1 TYR A 88 69.983 -6.766 4.086 1.00 0.00 C ATOM 1557 CE2 TYR A 88 67.832 -7.454 4.972 1.00 0.00 C ATOM 1558 CZ TYR A 88 68.605 -6.947 3.919 1.00 0.00 C ATOM 1559 OH TYR A 88 68.007 -6.627 2.717 1.00 0.00 O ATOM 1560 OXT TYR A 88 69.780 -10.978 6.330 1.00 0.00 O ATOM 0 H TYR A 88 71.747 -9.116 5.705 1.00 0.00 H new ATOM 0 HA TYR A 88 71.400 -9.659 8.590 1.00 0.00 H new ATOM 0 HB2 TYR A 88 69.765 -7.815 8.487 1.00 0.00 H new ATOM 0 HB3 TYR A 88 71.311 -7.281 7.860 1.00 0.00 H new ATOM 0 HD1 TYR A 88 71.652 -6.950 5.434 1.00 0.00 H new ATOM 0 HD2 TYR A 88 67.844 -8.172 7.002 1.00 0.00 H new ATOM 0 HE1 TYR A 88 70.579 -6.376 3.274 1.00 0.00 H new ATOM 0 HE2 TYR A 88 66.769 -7.593 4.844 1.00 0.00 H new ATOM 0 HH TYR A 88 67.046 -6.814 2.769 1.00 0.00 H new