USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 579 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 34 SER OG : rot 92:sc= 0.762 USER MOD Set 1.2: A 38 ASN : amide:sc= -3.82! C(o=-3.1!,f=-8.7!) USER MOD Single : A 20 THR OG1 : rot 160:sc= -1.21 USER MOD Single : A 25 SER OG : rot 45:sc= 0.205 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.035 K(o=-0.035,f=-1.4) USER MOD Single : A 41 SER OG : rot -42:sc= 0.562 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= 1.85 (180deg=0.925) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= -0.0307 (180deg=-0.28) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.456 F(o=-1.5,f=-0.46) USER MOD Single : A 65 GLN : amide:sc= -1.5 X(o=-1.5,f=-1.7!) USER MOD Single : A 66 TYR OH : rot 137:sc= 0.426 USER MOD Single : A 67 LYS NZ :NH3+ 150:sc= -0.408 (180deg=-1.82!) USER MOD Single : A 73 GLN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -1.88 F(o=-4.3!,f=-1.9) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.804 X(o=-0.8,f=-0.81) USER MOD Single : A 92 ASN : amide:sc= -0.462 X(o=-0.46,f=-0.057) USER MOD Single : A 95 HIS : no HE2:sc= -3.47! C(o=-3.5!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 233 N ALA A 17 29.411 -22.888 -13.272 1.00 12.42 N ATOM 234 CA ALA A 17 29.645 -22.732 -14.702 1.00 42.35 C ATOM 235 C ALA A 17 29.677 -21.259 -15.095 1.00 62.44 C ATOM 236 O ALA A 17 29.087 -20.414 -14.422 1.00 42.53 O ATOM 237 CB ALA A 17 28.575 -23.468 -15.495 1.00 33.33 C ATOM 0 HA ALA A 17 30.618 -23.165 -14.936 1.00 42.35 H new ATOM 0 HB1 ALA A 17 28.762 -23.343 -16.562 1.00 33.33 H new ATOM 0 HB2 ALA A 17 28.601 -24.528 -15.244 1.00 33.33 H new ATOM 0 HB3 ALA A 17 27.595 -23.061 -15.248 1.00 33.33 H new ATOM 243 N ARG A 18 30.372 -20.959 -16.187 1.00 70.43 N ATOM 244 CA ARG A 18 30.484 -19.587 -16.669 1.00 32.44 C ATOM 245 C ARG A 18 29.204 -19.153 -17.377 1.00 34.41 C ATOM 246 O ARG A 18 28.418 -19.976 -17.850 1.00 12.32 O ATOM 247 CB ARG A 18 31.676 -19.452 -17.618 1.00 12.31 C ATOM 248 CG ARG A 18 32.850 -18.696 -17.018 1.00 64.34 C ATOM 249 CD ARG A 18 33.754 -18.123 -18.098 1.00 1.20 C ATOM 250 NE ARG A 18 33.924 -16.679 -17.960 1.00 31.54 N ATOM 251 CZ ARG A 18 34.929 -16.002 -18.506 1.00 74.52 C ATOM 252 NH1 ARG A 18 35.848 -16.636 -19.223 1.00 5.14 N1+ ATOM 253 NH2 ARG A 18 35.016 -14.689 -18.336 1.00 25.53 N ATOM 0 H ARG A 18 30.866 -21.647 -16.755 1.00 70.43 H new ATOM 0 HA ARG A 18 30.640 -18.938 -15.807 1.00 32.44 H new ATOM 0 HB2 ARG A 18 32.009 -20.447 -17.914 1.00 12.31 H new ATOM 0 HB3 ARG A 18 31.352 -18.942 -18.525 1.00 12.31 H new ATOM 0 HG2 ARG A 18 32.480 -17.889 -16.386 1.00 64.34 H new ATOM 0 HG3 ARG A 18 33.425 -19.364 -16.377 1.00 64.34 H new ATOM 0 HD2 ARG A 18 34.729 -18.609 -18.050 1.00 1.20 H new ATOM 0 HD3 ARG A 18 33.334 -18.346 -19.079 1.00 1.20 H new ATOM 0 HE ARG A 18 33.234 -16.162 -17.415 1.00 31.54 H new ATOM 0 HH11 ARG A 18 35.784 -17.645 -19.356 1.00 5.14 H new ATOM 0 HH12 ARG A 18 36.618 -16.114 -19.641 1.00 5.14 H new ATOM 0 HH21 ARG A 18 34.311 -14.198 -17.786 1.00 25.53 H new ATOM 0 HH22 ARG A 18 35.788 -14.170 -18.755 1.00 25.53 H new ATOM 267 N PRO A 19 28.988 -17.832 -17.453 1.00 3.15 N ATOM 268 CA PRO A 19 27.804 -17.260 -18.103 1.00 23.40 C ATOM 269 C PRO A 19 27.828 -17.443 -19.616 1.00 70.32 C ATOM 270 O PRO A 19 28.871 -17.740 -20.201 1.00 5.33 O ATOM 271 CB PRO A 19 27.885 -15.774 -17.742 1.00 44.10 C ATOM 272 CG PRO A 19 29.333 -15.522 -17.497 1.00 71.22 C ATOM 273 CD PRO A 19 29.881 -16.795 -16.912 1.00 71.44 C ATOM 0 HA PRO A 19 26.884 -17.743 -17.774 1.00 23.40 H new ATOM 0 HB2 PRO A 19 27.506 -15.149 -18.550 1.00 44.10 H new ATOM 0 HB3 PRO A 19 27.289 -15.548 -16.858 1.00 44.10 H new ATOM 0 HG2 PRO A 19 29.847 -15.265 -18.423 1.00 71.22 H new ATOM 0 HG3 PRO A 19 29.473 -14.686 -16.812 1.00 71.22 H new ATOM 0 HD2 PRO A 19 30.916 -16.961 -17.210 1.00 71.44 H new ATOM 0 HD3 PRO A 19 29.862 -16.777 -15.822 1.00 71.44 H new ATOM 281 N THR A 20 26.672 -17.262 -20.248 1.00 62.41 N ATOM 282 CA THR A 20 26.560 -17.408 -21.694 1.00 11.43 C ATOM 283 C THR A 20 26.604 -16.051 -22.388 1.00 21.11 C ATOM 284 O THR A 20 26.292 -15.023 -21.786 1.00 33.42 O ATOM 285 CB THR A 20 25.258 -18.131 -22.087 1.00 72.41 C ATOM 286 OG1 THR A 20 25.341 -18.586 -23.442 1.00 51.10 O ATOM 287 CG2 THR A 20 24.059 -17.210 -21.927 1.00 52.22 C ATOM 0 H THR A 20 25.800 -17.014 -19.781 1.00 62.41 H new ATOM 0 HA THR A 20 27.411 -18.007 -22.018 1.00 11.43 H new ATOM 0 HB THR A 20 25.128 -18.987 -21.425 1.00 72.41 H new ATOM 0 HG1 THR A 20 24.684 -19.298 -23.589 1.00 51.10 H new ATOM 0 HG21 THR A 20 23.151 -17.742 -22.210 1.00 52.22 H new ATOM 0 HG22 THR A 20 23.983 -16.889 -20.888 1.00 52.22 H new ATOM 0 HG23 THR A 20 24.183 -16.337 -22.568 1.00 52.22 H new ATOM 295 N VAL A 21 26.993 -16.054 -23.659 1.00 64.42 N ATOM 296 CA VAL A 21 27.076 -14.824 -24.436 1.00 34.44 C ATOM 297 C VAL A 21 25.925 -14.723 -25.430 1.00 4.33 C ATOM 298 O VAL A 21 25.963 -15.327 -26.503 1.00 53.11 O ATOM 299 CB VAL A 21 28.409 -14.731 -25.201 1.00 74.51 C ATOM 300 CG1 VAL A 21 28.544 -13.375 -25.877 1.00 1.42 C ATOM 301 CG2 VAL A 21 29.580 -14.988 -24.263 1.00 42.33 C ATOM 0 H VAL A 21 27.256 -16.895 -24.172 1.00 64.42 H new ATOM 0 HA VAL A 21 27.014 -13.998 -23.727 1.00 34.44 H new ATOM 0 HB VAL A 21 28.418 -15.498 -25.975 1.00 74.51 H new ATOM 0 HG11 VAL A 21 29.492 -13.328 -26.413 1.00 1.42 H new ATOM 0 HG12 VAL A 21 27.723 -13.236 -26.580 1.00 1.42 H new ATOM 0 HG13 VAL A 21 28.514 -12.588 -25.123 1.00 1.42 H new ATOM 0 HG21 VAL A 21 30.514 -14.918 -24.820 1.00 42.33 H new ATOM 0 HG22 VAL A 21 29.577 -14.245 -23.465 1.00 42.33 H new ATOM 0 HG23 VAL A 21 29.488 -15.985 -23.831 1.00 42.33 H new ATOM 311 N ILE A 22 24.902 -13.956 -25.067 1.00 22.23 N ATOM 312 CA ILE A 22 23.740 -13.775 -25.929 1.00 2.23 C ATOM 313 C ILE A 22 23.398 -12.297 -26.088 1.00 11.25 C ATOM 314 O ILE A 22 23.446 -11.531 -25.125 1.00 71.43 O ATOM 315 CB ILE A 22 22.509 -14.518 -25.377 1.00 43.10 C ATOM 316 CG1 ILE A 22 22.474 -15.954 -25.903 1.00 14.22 C ATOM 317 CG2 ILE A 22 21.232 -13.780 -25.751 1.00 73.20 C ATOM 318 CD1 ILE A 22 23.016 -16.970 -24.922 1.00 75.24 C ATOM 0 H ILE A 22 24.854 -13.450 -24.182 1.00 22.23 H new ATOM 0 HA ILE A 22 24.001 -14.192 -26.902 1.00 2.23 H new ATOM 0 HB ILE A 22 22.581 -14.551 -24.290 1.00 43.10 H new ATOM 0 HG12 ILE A 22 21.446 -16.216 -26.154 1.00 14.22 H new ATOM 0 HG13 ILE A 22 23.051 -16.008 -26.826 1.00 14.22 H new ATOM 0 HG21 ILE A 22 20.371 -14.318 -25.354 1.00 73.20 H new ATOM 0 HG22 ILE A 22 21.257 -12.774 -25.331 1.00 73.20 H new ATOM 0 HG23 ILE A 22 21.152 -13.718 -26.836 1.00 73.20 H new ATOM 0 HD11 ILE A 22 22.960 -17.966 -25.362 1.00 75.24 H new ATOM 0 HD12 ILE A 22 24.054 -16.733 -24.690 1.00 75.24 H new ATOM 0 HD13 ILE A 22 22.424 -16.944 -24.007 1.00 75.24 H new ATOM 330 N ARG A 23 23.053 -11.904 -27.309 1.00 22.13 N ATOM 331 CA ARG A 23 22.702 -10.518 -27.595 1.00 2.21 C ATOM 332 C ARG A 23 21.731 -10.434 -28.768 1.00 24.52 C ATOM 333 O ARG A 23 22.048 -10.854 -29.882 1.00 2.42 O ATOM 334 CB ARG A 23 23.962 -9.704 -27.902 1.00 42.34 C ATOM 335 CG ARG A 23 24.608 -9.096 -26.668 1.00 24.01 C ATOM 336 CD ARG A 23 25.914 -8.397 -27.012 1.00 73.43 C ATOM 337 NE ARG A 23 26.480 -7.697 -25.863 1.00 13.23 N ATOM 338 CZ ARG A 23 27.585 -6.961 -25.920 1.00 71.22 C ATOM 339 NH1 ARG A 23 28.239 -6.830 -27.066 1.00 41.22 N1+ ATOM 340 NH2 ARG A 23 28.037 -6.354 -24.830 1.00 52.22 N ATOM 0 H ARG A 23 23.009 -12.526 -28.117 1.00 22.13 H new ATOM 0 HA ARG A 23 22.215 -10.103 -26.713 1.00 2.21 H new ATOM 0 HB2 ARG A 23 24.687 -10.346 -28.402 1.00 42.34 H new ATOM 0 HB3 ARG A 23 23.708 -8.906 -28.600 1.00 42.34 H new ATOM 0 HG2 ARG A 23 23.922 -8.383 -26.210 1.00 24.01 H new ATOM 0 HG3 ARG A 23 24.795 -9.877 -25.931 1.00 24.01 H new ATOM 0 HD2 ARG A 23 26.632 -9.131 -27.379 1.00 73.43 H new ATOM 0 HD3 ARG A 23 25.743 -7.687 -27.821 1.00 73.43 H new ATOM 0 HE ARG A 23 26.001 -7.777 -24.966 1.00 13.23 H new ATOM 0 HH11 ARG A 23 27.894 -7.295 -27.906 1.00 41.22 H new ATOM 0 HH12 ARG A 23 29.087 -6.265 -27.108 1.00 41.22 H new ATOM 0 HH21 ARG A 23 27.536 -6.452 -23.947 1.00 52.22 H new ATOM 0 HH22 ARG A 23 28.885 -5.789 -24.875 1.00 52.22 H new ATOM 354 N TRP A 24 20.547 -9.889 -28.511 1.00 71.11 N ATOM 355 CA TRP A 24 19.529 -9.751 -29.546 1.00 14.11 C ATOM 356 C TRP A 24 19.053 -8.306 -29.652 1.00 74.11 C ATOM 357 O TRP A 24 18.794 -7.653 -28.640 1.00 40.02 O ATOM 358 CB TRP A 24 18.343 -10.670 -29.251 1.00 23.53 C ATOM 359 CG TRP A 24 17.181 -10.455 -30.171 1.00 21.02 C ATOM 360 CD1 TRP A 24 16.119 -9.618 -29.969 1.00 70.23 C ATOM 361 CD2 TRP A 24 16.960 -11.087 -31.437 1.00 12.13 C ATOM 362 NE1 TRP A 24 15.253 -9.693 -31.033 1.00 1.03 N ATOM 363 CE2 TRP A 24 15.746 -10.585 -31.947 1.00 63.20 C ATOM 364 CE3 TRP A 24 17.670 -12.026 -32.189 1.00 55.20 C ATOM 365 CZ2 TRP A 24 15.230 -10.994 -33.173 1.00 23.31 C ATOM 366 CZ3 TRP A 24 17.156 -12.430 -33.407 1.00 13.34 C ATOM 367 CH2 TRP A 24 15.946 -11.914 -33.890 1.00 42.54 C ATOM 0 H TRP A 24 20.269 -9.536 -27.595 1.00 71.11 H new ATOM 0 HA TRP A 24 19.974 -10.039 -30.498 1.00 14.11 H new ATOM 0 HB2 TRP A 24 18.669 -11.707 -29.326 1.00 23.53 H new ATOM 0 HB3 TRP A 24 18.017 -10.512 -28.223 1.00 23.53 H new ATOM 0 HD1 TRP A 24 15.981 -8.990 -29.101 1.00 70.23 H new ATOM 0 HE1 TRP A 24 14.383 -9.169 -31.127 1.00 1.03 H new ATOM 0 HE3 TRP A 24 18.604 -12.429 -31.825 1.00 55.20 H new ATOM 0 HZ2 TRP A 24 14.297 -10.599 -33.546 1.00 23.31 H new ATOM 0 HZ3 TRP A 24 17.696 -13.156 -33.997 1.00 13.34 H new ATOM 0 HH2 TRP A 24 15.571 -12.249 -34.846 1.00 42.54 H new ATOM 378 N SER A 25 18.939 -7.813 -30.881 1.00 14.13 N ATOM 379 CA SER A 25 18.497 -6.443 -31.116 1.00 42.24 C ATOM 380 C SER A 25 17.469 -6.391 -32.242 1.00 64.44 C ATOM 381 O SER A 25 17.802 -6.581 -33.411 1.00 51.21 O ATOM 382 CB SER A 25 19.691 -5.552 -31.460 1.00 73.05 C ATOM 383 OG SER A 25 20.508 -6.152 -32.449 1.00 65.11 O ATOM 0 H SER A 25 19.146 -8.341 -31.729 1.00 14.13 H new ATOM 0 HA SER A 25 18.030 -6.076 -30.202 1.00 42.24 H new ATOM 0 HB2 SER A 25 19.336 -4.585 -31.815 1.00 73.05 H new ATOM 0 HB3 SER A 25 20.280 -5.365 -30.562 1.00 73.05 H new ATOM 0 HG SER A 25 19.944 -6.517 -33.162 1.00 65.11 H new ATOM 389 N GLU A 26 16.216 -6.131 -31.879 1.00 53.54 N ATOM 390 CA GLU A 26 15.138 -6.054 -32.858 1.00 53.15 C ATOM 391 C GLU A 26 14.128 -4.979 -32.472 1.00 73.25 C ATOM 392 O GLU A 26 13.961 -3.985 -33.179 1.00 53.42 O ATOM 393 CB GLU A 26 14.435 -7.408 -32.983 1.00 25.03 C ATOM 394 CG GLU A 26 13.591 -7.541 -34.240 1.00 61.21 C ATOM 395 CD GLU A 26 14.429 -7.735 -35.488 1.00 62.40 C ATOM 396 OE1 GLU A 26 15.417 -8.496 -35.428 1.00 63.14 O1- ATOM 397 OE2 GLU A 26 14.097 -7.123 -36.525 1.00 31.44 O ATOM 0 H GLU A 26 15.923 -5.970 -30.915 1.00 53.54 H new ATOM 0 HA GLU A 26 15.575 -5.789 -33.821 1.00 53.15 H new ATOM 0 HB2 GLU A 26 15.184 -8.199 -32.973 1.00 25.03 H new ATOM 0 HB3 GLU A 26 13.799 -7.560 -32.111 1.00 25.03 H new ATOM 0 HG2 GLU A 26 12.911 -8.386 -34.129 1.00 61.21 H new ATOM 0 HG3 GLU A 26 12.975 -6.649 -34.356 1.00 61.21 H new ATOM 404 N GLY A 27 13.454 -5.184 -31.344 1.00 44.43 N ATOM 405 CA GLY A 27 12.469 -4.224 -30.884 1.00 31.34 C ATOM 406 C GLY A 27 11.119 -4.862 -30.618 1.00 63.32 C ATOM 407 O GLY A 27 10.079 -4.230 -30.801 1.00 61.55 O ATOM 0 H GLY A 27 13.573 -5.998 -30.741 1.00 44.43 H new ATOM 0 HA2 GLY A 27 12.829 -3.748 -29.972 1.00 31.34 H new ATOM 0 HA3 GLY A 27 12.355 -3.438 -31.631 1.00 31.34 H new ATOM 411 N GLY A 28 11.134 -6.119 -30.187 1.00 21.34 N ATOM 412 CA GLY A 28 9.896 -6.823 -29.905 1.00 62.33 C ATOM 413 C GLY A 28 9.302 -6.435 -28.566 1.00 50.05 C ATOM 414 O GLY A 28 9.641 -5.394 -28.005 1.00 23.31 O ATOM 0 H GLY A 28 11.982 -6.663 -30.028 1.00 21.34 H new ATOM 0 HA2 GLY A 28 9.174 -6.613 -30.694 1.00 62.33 H new ATOM 0 HA3 GLY A 28 10.081 -7.897 -29.920 1.00 62.33 H new ATOM 418 N LYS A 29 8.411 -7.276 -28.051 1.00 15.42 N ATOM 419 CA LYS A 29 7.766 -7.018 -26.769 1.00 45.44 C ATOM 420 C LYS A 29 8.361 -7.896 -25.674 1.00 12.10 C ATOM 421 O LYS A 29 8.448 -7.487 -24.517 1.00 63.53 O ATOM 422 CB LYS A 29 6.259 -7.265 -26.873 1.00 41.32 C ATOM 423 CG LYS A 29 5.550 -6.310 -27.819 1.00 72.44 C ATOM 424 CD LYS A 29 4.118 -6.052 -27.380 1.00 52.45 C ATOM 425 CE LYS A 29 3.236 -7.269 -27.612 1.00 71.52 C ATOM 426 NZ LYS A 29 1.799 -6.965 -27.369 1.00 53.32 N1+ ATOM 0 H LYS A 29 8.119 -8.143 -28.502 1.00 15.42 H new ATOM 0 HA LYS A 29 7.939 -5.974 -26.508 1.00 45.44 H new ATOM 0 HB2 LYS A 29 6.089 -8.288 -27.208 1.00 41.32 H new ATOM 0 HB3 LYS A 29 5.815 -7.177 -25.881 1.00 41.32 H new ATOM 0 HG2 LYS A 29 6.094 -5.367 -27.861 1.00 72.44 H new ATOM 0 HG3 LYS A 29 5.554 -6.725 -28.827 1.00 72.44 H new ATOM 0 HD2 LYS A 29 4.103 -5.786 -26.323 1.00 52.45 H new ATOM 0 HD3 LYS A 29 3.716 -5.200 -27.929 1.00 52.45 H new ATOM 0 HE2 LYS A 29 3.365 -7.621 -28.635 1.00 71.52 H new ATOM 0 HE3 LYS A 29 3.553 -8.078 -26.954 1.00 71.52 H new ATOM 0 HZ1 LYS A 29 1.230 -7.819 -27.537 1.00 53.32 H new ATOM 0 HZ2 LYS A 29 1.672 -6.653 -26.385 1.00 53.32 H new ATOM 0 HZ3 LYS A 29 1.490 -6.210 -28.014 1.00 53.32 H new ATOM 440 N GLU A 30 8.772 -9.104 -26.048 1.00 44.21 N ATOM 441 CA GLU A 30 9.360 -10.040 -25.096 1.00 11.54 C ATOM 442 C GLU A 30 10.304 -11.010 -25.800 1.00 2.32 C ATOM 443 O GLU A 30 9.976 -11.562 -26.851 1.00 51.51 O ATOM 444 CB GLU A 30 8.263 -10.817 -24.368 1.00 14.34 C ATOM 445 CG GLU A 30 7.495 -11.774 -25.265 1.00 21.41 C ATOM 446 CD GLU A 30 6.094 -12.053 -24.757 1.00 54.10 C ATOM 447 OE1 GLU A 30 5.329 -11.086 -24.564 1.00 74.24 O1- ATOM 448 OE2 GLU A 30 5.764 -13.240 -24.554 1.00 2.20 O ATOM 0 H GLU A 30 8.709 -9.457 -27.003 1.00 44.21 H new ATOM 0 HA GLU A 30 9.933 -9.466 -24.368 1.00 11.54 H new ATOM 0 HB2 GLU A 30 8.711 -11.380 -23.550 1.00 14.34 H new ATOM 0 HB3 GLU A 30 7.563 -10.110 -23.923 1.00 14.34 H new ATOM 0 HG2 GLU A 30 7.436 -11.356 -26.270 1.00 21.41 H new ATOM 0 HG3 GLU A 30 8.043 -12.713 -25.342 1.00 21.41 H new ATOM 455 N VAL A 31 11.480 -11.212 -25.213 1.00 1.21 N ATOM 456 CA VAL A 31 12.472 -12.116 -25.782 1.00 20.01 C ATOM 457 C VAL A 31 12.830 -13.228 -24.802 1.00 24.24 C ATOM 458 O VAL A 31 12.971 -12.991 -23.603 1.00 60.13 O ATOM 459 CB VAL A 31 13.756 -11.362 -26.176 1.00 74.23 C ATOM 460 CG1 VAL A 31 14.731 -12.298 -26.876 1.00 21.21 C ATOM 461 CG2 VAL A 31 13.424 -10.170 -27.060 1.00 53.33 C ATOM 0 H VAL A 31 11.768 -10.762 -24.344 1.00 1.21 H new ATOM 0 HA VAL A 31 12.026 -12.553 -26.675 1.00 20.01 H new ATOM 0 HB VAL A 31 14.232 -10.991 -25.268 1.00 74.23 H new ATOM 0 HG11 VAL A 31 15.632 -11.748 -27.147 1.00 21.21 H new ATOM 0 HG12 VAL A 31 14.993 -13.117 -26.206 1.00 21.21 H new ATOM 0 HG13 VAL A 31 14.267 -12.700 -27.776 1.00 21.21 H new ATOM 0 HG21 VAL A 31 14.343 -9.649 -27.329 1.00 53.33 H new ATOM 0 HG22 VAL A 31 12.925 -10.516 -27.965 1.00 53.33 H new ATOM 0 HG23 VAL A 31 12.765 -9.489 -26.521 1.00 53.33 H new ATOM 471 N PHE A 32 12.975 -14.443 -25.321 1.00 63.42 N ATOM 472 CA PHE A 32 13.316 -15.592 -24.492 1.00 64.12 C ATOM 473 C PHE A 32 14.318 -16.498 -25.202 1.00 21.54 C ATOM 474 O PHE A 32 14.359 -16.552 -26.431 1.00 42.43 O ATOM 475 CB PHE A 32 12.055 -16.385 -24.139 1.00 75.51 C ATOM 476 CG PHE A 32 11.138 -15.663 -23.194 1.00 43.43 C ATOM 477 CD1 PHE A 32 11.313 -15.767 -21.823 1.00 62.05 C ATOM 478 CD2 PHE A 32 10.101 -14.880 -23.676 1.00 72.34 C ATOM 479 CE1 PHE A 32 10.469 -15.104 -20.952 1.00 3.23 C ATOM 480 CE2 PHE A 32 9.255 -14.215 -22.810 1.00 32.23 C ATOM 481 CZ PHE A 32 9.440 -14.327 -21.445 1.00 24.12 C ATOM 0 H PHE A 32 12.862 -14.657 -26.312 1.00 63.42 H new ATOM 0 HA PHE A 32 13.774 -15.223 -23.574 1.00 64.12 H new ATOM 0 HB2 PHE A 32 11.512 -16.615 -25.055 1.00 75.51 H new ATOM 0 HB3 PHE A 32 12.346 -17.336 -23.694 1.00 75.51 H new ATOM 0 HD1 PHE A 32 12.117 -16.372 -21.431 1.00 62.05 H new ATOM 0 HD2 PHE A 32 9.953 -14.789 -24.742 1.00 72.34 H new ATOM 0 HE1 PHE A 32 10.615 -15.194 -19.886 1.00 3.23 H new ATOM 0 HE2 PHE A 32 8.450 -13.609 -23.199 1.00 32.23 H new ATOM 0 HZ PHE A 32 8.781 -13.808 -20.765 1.00 24.12 H new ATOM 491 N ILE A 33 15.123 -17.207 -24.419 1.00 13.35 N ATOM 492 CA ILE A 33 16.125 -18.110 -24.973 1.00 22.33 C ATOM 493 C ILE A 33 15.961 -19.520 -24.417 1.00 62.43 C ATOM 494 O ILE A 33 15.629 -19.702 -23.245 1.00 63.03 O ATOM 495 CB ILE A 33 17.554 -17.617 -24.677 1.00 13.21 C ATOM 496 CG1 ILE A 33 18.580 -18.508 -25.380 1.00 10.32 C ATOM 497 CG2 ILE A 33 17.804 -17.593 -23.176 1.00 22.30 C ATOM 498 CD1 ILE A 33 20.013 -18.156 -25.047 1.00 22.31 C ATOM 0 H ILE A 33 15.102 -17.174 -23.400 1.00 13.35 H new ATOM 0 HA ILE A 33 15.972 -18.127 -26.052 1.00 22.33 H new ATOM 0 HB ILE A 33 17.660 -16.602 -25.060 1.00 13.21 H new ATOM 0 HG12 ILE A 33 18.396 -19.547 -25.106 1.00 10.32 H new ATOM 0 HG13 ILE A 33 18.437 -18.433 -26.458 1.00 10.32 H new ATOM 0 HG21 ILE A 33 18.818 -17.243 -22.982 1.00 22.30 H new ATOM 0 HG22 ILE A 33 17.090 -16.921 -22.699 1.00 22.30 H new ATOM 0 HG23 ILE A 33 17.683 -18.598 -22.771 1.00 22.30 H new ATOM 0 HD11 ILE A 33 20.686 -18.828 -25.580 1.00 22.31 H new ATOM 0 HD12 ILE A 33 20.214 -17.128 -25.347 1.00 22.31 H new ATOM 0 HD13 ILE A 33 20.173 -18.259 -23.974 1.00 22.31 H new ATOM 510 N SER A 34 16.196 -20.517 -25.264 1.00 25.03 N ATOM 511 CA SER A 34 16.072 -21.911 -24.859 1.00 60.30 C ATOM 512 C SER A 34 17.012 -22.799 -25.669 1.00 10.42 C ATOM 513 O SER A 34 17.165 -22.622 -26.876 1.00 43.22 O ATOM 514 CB SER A 34 14.628 -22.390 -25.030 1.00 31.12 C ATOM 515 OG SER A 34 14.426 -23.639 -24.394 1.00 65.53 O ATOM 0 H SER A 34 16.474 -20.384 -26.236 1.00 25.03 H new ATOM 0 HA SER A 34 16.349 -21.982 -23.807 1.00 60.30 H new ATOM 0 HB2 SER A 34 13.945 -21.651 -24.612 1.00 31.12 H new ATOM 0 HB3 SER A 34 14.394 -22.477 -26.091 1.00 31.12 H new ATOM 0 HG SER A 34 14.106 -23.492 -23.479 1.00 65.53 H new ATOM 521 N GLY A 35 17.643 -23.756 -24.993 1.00 50.42 N ATOM 522 CA GLY A 35 18.561 -24.657 -25.664 1.00 51.10 C ATOM 523 C GLY A 35 18.614 -26.023 -25.011 1.00 32.54 C ATOM 524 O GLY A 35 17.751 -26.367 -24.203 1.00 42.30 O ATOM 0 H GLY A 35 17.534 -23.922 -23.993 1.00 50.42 H new ATOM 0 HA2 GLY A 35 18.260 -24.767 -26.706 1.00 51.10 H new ATOM 0 HA3 GLY A 35 19.559 -24.219 -25.665 1.00 51.10 H new ATOM 528 N SER A 36 19.629 -26.806 -25.362 1.00 50.42 N ATOM 529 CA SER A 36 19.788 -28.146 -24.808 1.00 60.21 C ATOM 530 C SER A 36 20.245 -28.082 -23.354 1.00 34.32 C ATOM 531 O SER A 36 20.103 -29.046 -22.603 1.00 45.21 O ATOM 532 CB SER A 36 20.795 -28.947 -25.636 1.00 64.21 C ATOM 533 OG SER A 36 21.374 -29.986 -24.869 1.00 43.11 O ATOM 0 H SER A 36 20.354 -26.536 -26.027 1.00 50.42 H new ATOM 0 HA SER A 36 18.820 -28.645 -24.845 1.00 60.21 H new ATOM 0 HB2 SER A 36 20.298 -29.369 -26.509 1.00 64.21 H new ATOM 0 HB3 SER A 36 21.577 -28.283 -26.004 1.00 64.21 H new ATOM 0 HG SER A 36 22.012 -30.484 -25.421 1.00 43.11 H new ATOM 539 N PHE A 37 20.796 -26.937 -22.964 1.00 5.12 N ATOM 540 CA PHE A 37 21.277 -26.745 -21.600 1.00 1.32 C ATOM 541 C PHE A 37 20.140 -26.911 -20.595 1.00 52.10 C ATOM 542 O PHE A 37 20.375 -27.151 -19.412 1.00 24.42 O ATOM 543 CB PHE A 37 21.907 -25.359 -21.449 1.00 52.43 C ATOM 544 CG PHE A 37 20.992 -24.237 -21.847 1.00 52.44 C ATOM 545 CD1 PHE A 37 20.092 -23.704 -20.939 1.00 64.24 C ATOM 546 CD2 PHE A 37 21.031 -23.716 -23.131 1.00 12.31 C ATOM 547 CE1 PHE A 37 19.248 -22.672 -21.302 1.00 64.25 C ATOM 548 CE2 PHE A 37 20.190 -22.683 -23.499 1.00 24.25 C ATOM 549 CZ PHE A 37 19.296 -22.161 -22.584 1.00 63.21 C ATOM 0 H PHE A 37 20.921 -26.128 -23.573 1.00 5.12 H new ATOM 0 HA PHE A 37 22.033 -27.504 -21.397 1.00 1.32 H new ATOM 0 HB2 PHE A 37 22.211 -25.218 -20.412 1.00 52.43 H new ATOM 0 HB3 PHE A 37 22.811 -25.312 -22.056 1.00 52.43 H new ATOM 0 HD1 PHE A 37 20.049 -24.100 -19.935 1.00 64.24 H new ATOM 0 HD2 PHE A 37 21.726 -24.122 -23.851 1.00 12.31 H new ATOM 0 HE1 PHE A 37 18.551 -22.265 -20.584 1.00 64.25 H new ATOM 0 HE2 PHE A 37 20.232 -22.284 -24.502 1.00 24.25 H new ATOM 0 HZ PHE A 37 18.636 -21.355 -22.871 1.00 63.21 H new ATOM 559 N ASN A 38 18.909 -26.782 -21.077 1.00 73.11 N ATOM 560 CA ASN A 38 17.735 -26.917 -20.221 1.00 10.42 C ATOM 561 C ASN A 38 16.771 -27.958 -20.781 1.00 21.43 C ATOM 562 O ASN A 38 15.623 -28.052 -20.347 1.00 31.21 O ATOM 563 CB ASN A 38 17.023 -25.570 -20.081 1.00 72.03 C ATOM 564 CG ASN A 38 16.078 -25.292 -21.234 1.00 64.24 C ATOM 565 OD1 ASN A 38 14.919 -25.707 -21.215 1.00 35.42 O ATOM 566 ND2 ASN A 38 16.571 -24.587 -22.247 1.00 44.21 N ATOM 0 H ASN A 38 18.698 -26.584 -22.055 1.00 73.11 H new ATOM 0 HA ASN A 38 18.069 -27.248 -19.238 1.00 10.42 H new ATOM 0 HB2 ASN A 38 16.464 -25.553 -19.145 1.00 72.03 H new ATOM 0 HB3 ASN A 38 17.765 -24.774 -20.024 1.00 72.03 H new ATOM 0 HD21 ASN A 38 15.982 -24.370 -23.051 1.00 44.21 H new ATOM 0 HD22 ASN A 38 17.538 -24.263 -22.220 1.00 44.21 H new ATOM 573 N ASN A 39 17.245 -28.739 -21.746 1.00 32.24 N ATOM 574 CA ASN A 39 16.426 -29.774 -22.365 1.00 20.50 C ATOM 575 C ASN A 39 15.232 -29.161 -23.090 1.00 23.03 C ATOM 576 O ASN A 39 14.232 -29.834 -23.339 1.00 14.24 O ATOM 577 CB ASN A 39 15.939 -30.768 -21.309 1.00 75.11 C ATOM 578 CG ASN A 39 15.633 -32.132 -21.895 1.00 4.44 C ATOM 579 OD1 ASN A 39 15.615 -32.306 -23.114 1.00 63.34 O ATOM 580 ND2 ASN A 39 15.391 -33.109 -21.028 1.00 64.12 N ATOM 0 H ASN A 39 18.193 -28.674 -22.116 1.00 32.24 H new ATOM 0 HA ASN A 39 17.041 -30.301 -23.094 1.00 20.50 H new ATOM 0 HB2 ASN A 39 16.698 -30.871 -20.534 1.00 75.11 H new ATOM 0 HB3 ASN A 39 15.044 -30.373 -20.828 1.00 75.11 H new ATOM 0 HD21 ASN A 39 15.180 -34.049 -21.364 1.00 64.12 H new ATOM 0 HD22 ASN A 39 15.417 -32.920 -20.026 1.00 64.12 H new ATOM 587 N TRP A 40 15.345 -27.881 -23.427 1.00 1.42 N ATOM 588 CA TRP A 40 14.275 -27.177 -24.125 1.00 70.44 C ATOM 589 C TRP A 40 12.943 -27.361 -23.406 1.00 14.41 C ATOM 590 O TRP A 40 11.888 -27.405 -24.037 1.00 75.11 O ATOM 591 CB TRP A 40 14.164 -27.676 -25.567 1.00 13.40 C ATOM 592 CG TRP A 40 15.463 -27.635 -26.311 1.00 42.11 C ATOM 593 CD1 TRP A 40 16.522 -28.484 -26.158 1.00 21.54 C ATOM 594 CD2 TRP A 40 15.842 -26.697 -27.324 1.00 5.34 C ATOM 595 NE1 TRP A 40 17.537 -28.129 -27.015 1.00 63.33 N ATOM 596 CE2 TRP A 40 17.144 -27.037 -27.741 1.00 3.45 C ATOM 597 CE3 TRP A 40 15.208 -25.603 -27.920 1.00 11.54 C ATOM 598 CZ2 TRP A 40 17.820 -26.321 -28.726 1.00 62.33 C ATOM 599 CZ3 TRP A 40 15.881 -24.894 -28.896 1.00 53.04 C ATOM 600 CH2 TRP A 40 17.175 -25.255 -29.292 1.00 62.54 C ATOM 0 H TRP A 40 16.166 -27.310 -23.228 1.00 1.42 H new ATOM 0 HA TRP A 40 14.518 -26.114 -24.134 1.00 70.44 H new ATOM 0 HB2 TRP A 40 13.789 -28.699 -25.562 1.00 13.40 H new ATOM 0 HB3 TRP A 40 13.430 -27.070 -26.098 1.00 13.40 H new ATOM 0 HD1 TRP A 40 16.557 -29.312 -25.466 1.00 21.54 H new ATOM 0 HE1 TRP A 40 18.437 -28.602 -27.097 1.00 63.33 H new ATOM 0 HE3 TRP A 40 14.210 -25.317 -27.623 1.00 11.54 H new ATOM 0 HZ2 TRP A 40 18.818 -26.597 -29.032 1.00 62.33 H new ATOM 0 HZ3 TRP A 40 15.401 -24.046 -29.362 1.00 53.04 H new ATOM 0 HH2 TRP A 40 17.674 -24.681 -30.059 1.00 62.54 H new ATOM 611 N SER A 41 12.999 -27.468 -22.082 1.00 25.55 N ATOM 612 CA SER A 41 11.797 -27.650 -21.278 1.00 24.31 C ATOM 613 C SER A 41 11.481 -26.390 -20.479 1.00 73.12 C ATOM 614 O SER A 41 10.676 -26.416 -19.547 1.00 72.53 O ATOM 615 CB SER A 41 11.967 -28.840 -20.330 1.00 23.43 C ATOM 616 OG SER A 41 10.740 -29.173 -19.704 1.00 55.35 O ATOM 0 H SER A 41 13.865 -27.432 -21.544 1.00 25.55 H new ATOM 0 HA SER A 41 10.965 -27.848 -21.954 1.00 24.31 H new ATOM 0 HB2 SER A 41 12.341 -29.700 -20.885 1.00 23.43 H new ATOM 0 HB3 SER A 41 12.713 -28.601 -19.572 1.00 23.43 H new ATOM 0 HG SER A 41 10.274 -28.352 -19.440 1.00 55.35 H new ATOM 622 N THR A 42 12.122 -25.286 -20.849 1.00 74.23 N ATOM 623 CA THR A 42 11.912 -24.015 -20.167 1.00 14.13 C ATOM 624 C THR A 42 12.489 -22.857 -20.973 1.00 20.24 C ATOM 625 O THR A 42 13.474 -23.018 -21.695 1.00 53.41 O ATOM 626 CB THR A 42 12.551 -24.018 -18.766 1.00 54.43 C ATOM 627 OG1 THR A 42 12.316 -22.762 -18.118 1.00 52.32 O ATOM 628 CG2 THR A 42 14.047 -24.277 -18.853 1.00 23.45 C ATOM 0 H THR A 42 12.791 -25.246 -21.618 1.00 74.23 H new ATOM 0 HA THR A 42 10.835 -23.884 -20.067 1.00 14.13 H new ATOM 0 HB THR A 42 12.094 -24.818 -18.184 1.00 54.43 H new ATOM 0 HG1 THR A 42 12.724 -22.772 -17.227 1.00 52.32 H new ATOM 0 HG21 THR A 42 14.476 -24.274 -17.851 1.00 23.45 H new ATOM 0 HG22 THR A 42 14.222 -25.246 -19.320 1.00 23.45 H new ATOM 0 HG23 THR A 42 14.517 -23.496 -19.451 1.00 23.45 H new ATOM 636 N LYS A 43 11.869 -21.688 -20.848 1.00 1.11 N ATOM 637 CA LYS A 43 12.320 -20.501 -21.564 1.00 64.11 C ATOM 638 C LYS A 43 13.017 -19.528 -20.617 1.00 3.12 C ATOM 639 O LYS A 43 12.411 -19.029 -19.668 1.00 72.24 O ATOM 640 CB LYS A 43 11.136 -19.808 -22.242 1.00 65.14 C ATOM 641 CG LYS A 43 10.840 -20.337 -23.635 1.00 42.20 C ATOM 642 CD LYS A 43 10.355 -19.234 -24.559 1.00 2.13 C ATOM 643 CE LYS A 43 9.257 -19.728 -25.490 1.00 63.12 C ATOM 644 NZ LYS A 43 8.021 -18.905 -25.377 1.00 4.54 N1+ ATOM 0 H LYS A 43 11.052 -21.538 -20.257 1.00 1.11 H new ATOM 0 HA LYS A 43 13.034 -20.816 -22.326 1.00 64.11 H new ATOM 0 HB2 LYS A 43 10.249 -19.930 -21.620 1.00 65.14 H new ATOM 0 HB3 LYS A 43 11.338 -18.739 -22.303 1.00 65.14 H new ATOM 0 HG2 LYS A 43 11.739 -20.792 -24.051 1.00 42.20 H new ATOM 0 HG3 LYS A 43 10.085 -21.121 -23.575 1.00 42.20 H new ATOM 0 HD2 LYS A 43 9.982 -18.399 -23.966 1.00 2.13 H new ATOM 0 HD3 LYS A 43 11.191 -18.858 -25.148 1.00 2.13 H new ATOM 0 HE2 LYS A 43 9.616 -19.705 -26.519 1.00 63.12 H new ATOM 0 HE3 LYS A 43 9.024 -20.767 -25.257 1.00 63.12 H new ATOM 0 HZ1 LYS A 43 7.193 -19.487 -25.616 1.00 4.54 H new ATOM 0 HZ2 LYS A 43 7.927 -18.552 -24.403 1.00 4.54 H new ATOM 0 HZ3 LYS A 43 8.079 -18.100 -26.033 1.00 4.54 H new ATOM 658 N ILE A 44 14.291 -19.263 -20.883 1.00 22.14 N ATOM 659 CA ILE A 44 15.069 -18.348 -20.056 1.00 54.22 C ATOM 660 C ILE A 44 14.818 -16.897 -20.457 1.00 22.01 C ATOM 661 O ILE A 44 14.848 -16.538 -21.635 1.00 31.33 O ATOM 662 CB ILE A 44 16.577 -18.642 -20.156 1.00 4.25 C ATOM 663 CG1 ILE A 44 16.952 -19.812 -19.244 1.00 44.15 C ATOM 664 CG2 ILE A 44 17.384 -17.403 -19.797 1.00 14.54 C ATOM 665 CD1 ILE A 44 16.371 -21.136 -19.690 1.00 62.32 C ATOM 0 H ILE A 44 14.807 -19.668 -21.664 1.00 22.14 H new ATOM 0 HA ILE A 44 14.745 -18.500 -19.026 1.00 54.22 H new ATOM 0 HB ILE A 44 16.811 -18.918 -21.184 1.00 4.25 H new ATOM 0 HG12 ILE A 44 18.038 -19.896 -19.203 1.00 44.15 H new ATOM 0 HG13 ILE A 44 16.610 -19.597 -18.232 1.00 44.15 H new ATOM 0 HG21 ILE A 44 18.448 -17.627 -19.873 1.00 14.54 H new ATOM 0 HG22 ILE A 44 17.134 -16.594 -20.484 1.00 14.54 H new ATOM 0 HG23 ILE A 44 17.149 -17.099 -18.777 1.00 14.54 H new ATOM 0 HD11 ILE A 44 16.678 -21.920 -18.997 1.00 62.32 H new ATOM 0 HD12 ILE A 44 15.283 -21.070 -19.704 1.00 62.32 H new ATOM 0 HD13 ILE A 44 16.733 -21.374 -20.690 1.00 62.32 H new ATOM 677 N PRO A 45 14.567 -16.042 -19.455 1.00 72.14 N ATOM 678 CA PRO A 45 14.307 -14.616 -19.677 1.00 74.30 C ATOM 679 C PRO A 45 15.554 -13.866 -20.135 1.00 3.41 C ATOM 680 O PRO A 45 16.649 -14.086 -19.617 1.00 31.12 O ATOM 681 CB PRO A 45 13.859 -14.119 -18.300 1.00 2.44 C ATOM 682 CG PRO A 45 14.479 -15.067 -17.334 1.00 44.21 C ATOM 683 CD PRO A 45 14.514 -16.401 -18.027 1.00 20.33 C ATOM 0 HA PRO A 45 13.571 -14.452 -20.464 1.00 74.30 H new ATOM 0 HB2 PRO A 45 14.192 -13.097 -18.121 1.00 2.44 H new ATOM 0 HB3 PRO A 45 12.772 -14.120 -18.213 1.00 2.44 H new ATOM 0 HG2 PRO A 45 15.483 -14.743 -17.060 1.00 44.21 H new ATOM 0 HG3 PRO A 45 13.899 -15.121 -16.413 1.00 44.21 H new ATOM 0 HD2 PRO A 45 15.383 -16.987 -17.727 1.00 20.33 H new ATOM 0 HD3 PRO A 45 13.632 -16.998 -17.795 1.00 20.33 H new ATOM 691 N LEU A 46 15.379 -12.978 -21.109 1.00 64.14 N ATOM 692 CA LEU A 46 16.491 -12.195 -21.637 1.00 65.52 C ATOM 693 C LEU A 46 16.596 -10.851 -20.923 1.00 32.13 C ATOM 694 O LEU A 46 15.787 -9.951 -21.152 1.00 65.14 O ATOM 695 CB LEU A 46 16.316 -11.974 -23.140 1.00 61.33 C ATOM 696 CG LEU A 46 17.269 -12.754 -24.048 1.00 32.01 C ATOM 697 CD1 LEU A 46 16.697 -14.126 -24.369 1.00 34.30 C ATOM 698 CD2 LEU A 46 17.544 -11.975 -25.326 1.00 72.32 C ATOM 0 H LEU A 46 14.479 -12.783 -21.548 1.00 64.14 H new ATOM 0 HA LEU A 46 17.412 -12.752 -21.463 1.00 65.52 H new ATOM 0 HB2 LEU A 46 15.293 -12.237 -23.409 1.00 61.33 H new ATOM 0 HB3 LEU A 46 16.437 -10.911 -23.347 1.00 61.33 H new ATOM 0 HG LEU A 46 18.213 -12.892 -23.520 1.00 32.01 H new ATOM 0 HD11 LEU A 46 17.388 -14.666 -25.016 1.00 34.30 H new ATOM 0 HD12 LEU A 46 16.552 -14.685 -23.445 1.00 34.30 H new ATOM 0 HD13 LEU A 46 15.740 -14.011 -24.877 1.00 34.30 H new ATOM 0 HD21 LEU A 46 18.224 -12.544 -25.960 1.00 72.32 H new ATOM 0 HD22 LEU A 46 16.608 -11.806 -25.858 1.00 72.32 H new ATOM 0 HD23 LEU A 46 17.998 -11.016 -25.077 1.00 72.32 H new ATOM 710 N ILE A 47 17.597 -10.722 -20.059 1.00 14.12 N ATOM 711 CA ILE A 47 17.809 -9.486 -19.316 1.00 74.30 C ATOM 712 C ILE A 47 17.823 -8.279 -20.247 1.00 14.44 C ATOM 713 O ILE A 47 18.805 -8.033 -20.948 1.00 31.41 O ATOM 714 CB ILE A 47 19.130 -9.525 -18.525 1.00 0.44 C ATOM 715 CG1 ILE A 47 19.151 -10.730 -17.582 1.00 30.24 C ATOM 716 CG2 ILE A 47 19.320 -8.232 -17.745 1.00 33.01 C ATOM 717 CD1 ILE A 47 18.023 -10.726 -16.574 1.00 44.14 C ATOM 0 H ILE A 47 18.274 -11.458 -19.856 1.00 14.12 H new ATOM 0 HA ILE A 47 16.978 -9.392 -18.617 1.00 74.30 H new ATOM 0 HB ILE A 47 19.955 -9.625 -19.231 1.00 0.44 H new ATOM 0 HG12 ILE A 47 19.097 -11.645 -18.172 1.00 30.24 H new ATOM 0 HG13 ILE A 47 20.103 -10.749 -17.051 1.00 30.24 H new ATOM 0 HG21 ILE A 47 20.258 -8.275 -17.191 1.00 33.01 H new ATOM 0 HG22 ILE A 47 19.346 -7.390 -18.437 1.00 33.01 H new ATOM 0 HG23 ILE A 47 18.493 -8.103 -17.047 1.00 33.01 H new ATOM 0 HD11 ILE A 47 18.100 -11.608 -15.939 1.00 44.14 H new ATOM 0 HD12 ILE A 47 18.088 -9.829 -15.959 1.00 44.14 H new ATOM 0 HD13 ILE A 47 17.067 -10.738 -17.098 1.00 44.14 H new ATOM 729 N LYS A 48 16.727 -7.527 -20.248 1.00 15.21 N ATOM 730 CA LYS A 48 16.612 -6.343 -21.090 1.00 3.13 C ATOM 731 C LYS A 48 17.611 -5.272 -20.663 1.00 43.44 C ATOM 732 O LYS A 48 17.631 -4.856 -19.504 1.00 42.12 O ATOM 733 CB LYS A 48 15.190 -5.783 -21.027 1.00 15.03 C ATOM 734 CG LYS A 48 14.729 -5.143 -22.325 1.00 21.42 C ATOM 735 CD LYS A 48 13.301 -5.535 -22.665 1.00 24.00 C ATOM 736 CE LYS A 48 12.333 -5.116 -21.570 1.00 64.10 C ATOM 737 NZ LYS A 48 12.417 -3.657 -21.284 1.00 1.32 N1+ ATOM 0 H LYS A 48 15.905 -7.717 -19.674 1.00 15.21 H new ATOM 0 HA LYS A 48 16.836 -6.635 -22.116 1.00 3.13 H new ATOM 0 HB2 LYS A 48 14.503 -6.588 -20.765 1.00 15.03 H new ATOM 0 HB3 LYS A 48 15.135 -5.044 -20.228 1.00 15.03 H new ATOM 0 HG2 LYS A 48 14.799 -4.058 -22.242 1.00 21.42 H new ATOM 0 HG3 LYS A 48 15.393 -5.444 -23.136 1.00 21.42 H new ATOM 0 HD2 LYS A 48 13.010 -5.071 -23.607 1.00 24.00 H new ATOM 0 HD3 LYS A 48 13.243 -6.614 -22.810 1.00 24.00 H new ATOM 0 HE2 LYS A 48 11.316 -5.370 -21.868 1.00 64.10 H new ATOM 0 HE3 LYS A 48 12.548 -5.677 -20.661 1.00 64.10 H new ATOM 0 HZ1 LYS A 48 11.614 -3.373 -20.687 1.00 1.32 H new ATOM 0 HZ2 LYS A 48 13.307 -3.451 -20.787 1.00 1.32 H new ATOM 0 HZ3 LYS A 48 12.389 -3.126 -22.178 1.00 1.32 H new ATOM 751 N SER A 49 18.437 -4.828 -21.604 1.00 43.44 N ATOM 752 CA SER A 49 19.439 -3.807 -21.325 1.00 72.14 C ATOM 753 C SER A 49 19.097 -2.502 -22.034 1.00 60.13 C ATOM 754 O SER A 49 18.316 -2.485 -22.987 1.00 5.42 O ATOM 755 CB SER A 49 20.825 -4.290 -21.758 1.00 41.12 C ATOM 756 OG SER A 49 21.642 -4.572 -20.636 1.00 21.32 O ATOM 0 H SER A 49 18.432 -5.160 -22.568 1.00 43.44 H new ATOM 0 HA SER A 49 19.446 -3.624 -20.250 1.00 72.14 H new ATOM 0 HB2 SER A 49 20.726 -5.184 -22.373 1.00 41.12 H new ATOM 0 HB3 SER A 49 21.302 -3.529 -22.376 1.00 41.12 H new ATOM 0 HG SER A 49 22.521 -4.880 -20.941 1.00 21.32 H new ATOM 762 N HIS A 50 19.689 -1.408 -21.564 1.00 41.43 N ATOM 763 CA HIS A 50 19.447 -0.095 -22.154 1.00 30.33 C ATOM 764 C HIS A 50 19.870 -0.072 -23.620 1.00 5.15 C ATOM 765 O HIS A 50 19.435 0.785 -24.388 1.00 32.14 O ATOM 766 CB HIS A 50 20.203 0.983 -21.376 1.00 41.03 C ATOM 767 CG HIS A 50 19.393 1.612 -20.285 1.00 40.43 C ATOM 768 ND1 HIS A 50 18.529 2.665 -20.501 1.00 11.43 N ATOM 769 CD2 HIS A 50 19.319 1.332 -18.963 1.00 70.45 C ATOM 770 CE1 HIS A 50 17.959 3.006 -19.358 1.00 0.03 C ATOM 771 NE2 HIS A 50 18.421 2.211 -18.410 1.00 34.54 N ATOM 0 H HIS A 50 20.339 -1.404 -20.778 1.00 41.43 H new ATOM 0 HA HIS A 50 18.378 0.110 -22.099 1.00 30.33 H new ATOM 0 HB2 HIS A 50 21.102 0.544 -20.943 1.00 41.03 H new ATOM 0 HB3 HIS A 50 20.529 1.759 -22.069 1.00 41.03 H new ATOM 0 HD2 HIS A 50 19.865 0.561 -18.440 1.00 70.45 H new ATOM 0 HE1 HIS A 50 17.239 3.799 -19.223 1.00 0.03 H new ATOM 0 HE2 HIS A 50 18.154 2.245 -17.426 1.00 34.54 H new ATOM 779 N ASN A 51 20.721 -1.020 -23.999 1.00 15.24 N ATOM 780 CA ASN A 51 21.204 -1.107 -25.373 1.00 64.25 C ATOM 781 C ASN A 51 20.359 -2.085 -26.185 1.00 63.54 C ATOM 782 O ASN A 51 19.786 -1.721 -27.213 1.00 35.54 O ATOM 783 CB ASN A 51 22.669 -1.543 -25.394 1.00 63.32 C ATOM 784 CG ASN A 51 23.624 -0.372 -25.256 1.00 44.03 C ATOM 785 OD1 ASN A 51 23.335 0.598 -24.556 1.00 43.11 O ATOM 786 ND2 ASN A 51 24.766 -0.459 -25.926 1.00 71.10 N ATOM 0 H ASN A 51 21.090 -1.738 -23.375 1.00 15.24 H new ATOM 0 HA ASN A 51 21.120 -0.119 -25.825 1.00 64.25 H new ATOM 0 HB2 ASN A 51 22.846 -2.250 -24.584 1.00 63.32 H new ATOM 0 HB3 ASN A 51 22.875 -2.068 -26.326 1.00 63.32 H new ATOM 0 HD21 ASN A 51 25.447 0.298 -25.873 1.00 71.10 H new ATOM 0 HD22 ASN A 51 24.963 -1.283 -26.494 1.00 71.10 H new ATOM 793 N ASP A 52 20.286 -3.326 -25.717 1.00 2.33 N ATOM 794 CA ASP A 52 19.511 -4.356 -26.398 1.00 51.51 C ATOM 795 C ASP A 52 19.212 -5.522 -25.459 1.00 40.41 C ATOM 796 O ASP A 52 19.472 -5.446 -24.258 1.00 50.31 O ATOM 797 CB ASP A 52 20.262 -4.858 -27.632 1.00 20.42 C ATOM 798 CG ASP A 52 21.582 -5.517 -27.278 1.00 4.32 C ATOM 799 OD1 ASP A 52 21.559 -6.546 -26.572 1.00 62.02 O1- ATOM 800 OD2 ASP A 52 22.635 -5.001 -27.706 1.00 62.31 O ATOM 0 H ASP A 52 20.754 -3.643 -24.868 1.00 2.33 H new ATOM 0 HA ASP A 52 18.565 -3.915 -26.713 1.00 51.51 H new ATOM 0 HB2 ASP A 52 19.636 -5.570 -28.170 1.00 20.42 H new ATOM 0 HB3 ASP A 52 20.446 -4.022 -28.307 1.00 20.42 H new ATOM 805 N PHE A 53 18.665 -6.597 -26.015 1.00 23.22 N ATOM 806 CA PHE A 53 18.330 -7.777 -25.228 1.00 74.32 C ATOM 807 C PHE A 53 19.537 -8.699 -25.086 1.00 74.52 C ATOM 808 O PHE A 53 20.373 -8.788 -25.987 1.00 63.11 O ATOM 809 CB PHE A 53 17.169 -8.535 -25.876 1.00 20.02 C ATOM 810 CG PHE A 53 15.970 -7.674 -26.150 1.00 51.11 C ATOM 811 CD1 PHE A 53 15.920 -6.871 -27.278 1.00 71.15 C ATOM 812 CD2 PHE A 53 14.892 -7.667 -25.279 1.00 41.23 C ATOM 813 CE1 PHE A 53 14.816 -6.079 -27.534 1.00 34.33 C ATOM 814 CE2 PHE A 53 13.787 -6.876 -25.530 1.00 25.13 C ATOM 815 CZ PHE A 53 13.750 -6.080 -26.658 1.00 23.43 C ATOM 0 H PHE A 53 18.444 -6.675 -27.008 1.00 23.22 H new ATOM 0 HA PHE A 53 18.030 -7.446 -24.234 1.00 74.32 H new ATOM 0 HB2 PHE A 53 17.511 -8.976 -26.812 1.00 20.02 H new ATOM 0 HB3 PHE A 53 16.874 -9.358 -25.225 1.00 20.02 H new ATOM 0 HD1 PHE A 53 16.753 -6.864 -27.965 1.00 71.15 H new ATOM 0 HD2 PHE A 53 14.916 -8.286 -24.395 1.00 41.23 H new ATOM 0 HE1 PHE A 53 14.788 -5.460 -28.419 1.00 34.33 H new ATOM 0 HE2 PHE A 53 12.953 -6.880 -24.844 1.00 25.13 H new ATOM 0 HZ PHE A 53 12.888 -5.459 -26.854 1.00 23.43 H new ATOM 825 N VAL A 54 19.624 -9.382 -23.951 1.00 60.01 N ATOM 826 CA VAL A 54 20.729 -10.297 -23.689 1.00 21.43 C ATOM 827 C VAL A 54 20.293 -11.438 -22.776 1.00 43.31 C ATOM 828 O VAL A 54 19.234 -11.379 -22.154 1.00 73.14 O ATOM 829 CB VAL A 54 21.923 -9.566 -23.048 1.00 12.13 C ATOM 830 CG1 VAL A 54 22.509 -8.549 -24.015 1.00 42.10 C ATOM 831 CG2 VAL A 54 21.502 -8.898 -21.748 1.00 4.03 C ATOM 0 H VAL A 54 18.941 -9.320 -23.196 1.00 60.01 H new ATOM 0 HA VAL A 54 21.038 -10.705 -24.651 1.00 21.43 H new ATOM 0 HB VAL A 54 22.696 -10.300 -22.819 1.00 12.13 H new ATOM 0 HG11 VAL A 54 23.352 -8.043 -23.544 1.00 42.10 H new ATOM 0 HG12 VAL A 54 22.850 -9.058 -24.917 1.00 42.10 H new ATOM 0 HG13 VAL A 54 21.746 -7.816 -24.278 1.00 42.10 H new ATOM 0 HG21 VAL A 54 22.358 -8.386 -21.308 1.00 4.03 H new ATOM 0 HG22 VAL A 54 20.711 -8.175 -21.950 1.00 4.03 H new ATOM 0 HG23 VAL A 54 21.135 -9.653 -21.053 1.00 4.03 H new ATOM 841 N ALA A 55 21.120 -12.475 -22.700 1.00 4.51 N ATOM 842 CA ALA A 55 20.824 -13.629 -21.860 1.00 54.01 C ATOM 843 C ALA A 55 22.064 -14.092 -21.104 1.00 32.03 C ATOM 844 O ALA A 55 23.175 -14.052 -21.634 1.00 42.01 O ATOM 845 CB ALA A 55 20.262 -14.764 -22.703 1.00 40.42 C ATOM 0 H ALA A 55 22.001 -12.540 -23.210 1.00 4.51 H new ATOM 0 HA ALA A 55 20.075 -13.330 -21.126 1.00 54.01 H new ATOM 0 HB1 ALA A 55 20.045 -15.620 -22.063 1.00 40.42 H new ATOM 0 HB2 ALA A 55 19.345 -14.435 -23.192 1.00 40.42 H new ATOM 0 HB3 ALA A 55 20.993 -15.052 -23.459 1.00 40.42 H new ATOM 851 N ILE A 56 21.868 -14.530 -19.865 1.00 34.40 N ATOM 852 CA ILE A 56 22.971 -15.001 -19.038 1.00 21.40 C ATOM 853 C ILE A 56 22.578 -16.251 -18.258 1.00 72.24 C ATOM 854 O ILE A 56 21.603 -16.246 -17.507 1.00 72.43 O ATOM 855 CB ILE A 56 23.435 -13.916 -18.047 1.00 50.33 C ATOM 856 CG1 ILE A 56 23.852 -12.652 -18.801 1.00 71.52 C ATOM 857 CG2 ILE A 56 24.583 -14.434 -17.195 1.00 41.55 C ATOM 858 CD1 ILE A 56 25.040 -12.857 -19.715 1.00 74.44 C ATOM 0 H ILE A 56 20.955 -14.568 -19.412 1.00 34.40 H new ATOM 0 HA ILE A 56 23.792 -15.240 -19.713 1.00 21.40 H new ATOM 0 HB ILE A 56 22.603 -13.666 -17.388 1.00 50.33 H new ATOM 0 HG12 ILE A 56 23.008 -12.295 -19.391 1.00 71.52 H new ATOM 0 HG13 ILE A 56 24.090 -11.870 -18.080 1.00 71.52 H new ATOM 0 HG21 ILE A 56 24.900 -13.656 -16.500 1.00 41.55 H new ATOM 0 HG22 ILE A 56 24.254 -15.309 -16.635 1.00 41.55 H new ATOM 0 HG23 ILE A 56 25.419 -14.708 -17.839 1.00 41.55 H new ATOM 0 HD11 ILE A 56 25.279 -11.919 -20.217 1.00 74.44 H new ATOM 0 HD12 ILE A 56 25.898 -13.184 -19.128 1.00 74.44 H new ATOM 0 HD13 ILE A 56 24.799 -13.616 -20.460 1.00 74.44 H new ATOM 870 N LEU A 57 23.346 -17.320 -18.440 1.00 23.15 N ATOM 871 CA LEU A 57 23.081 -18.579 -17.751 1.00 22.42 C ATOM 872 C LEU A 57 24.361 -19.394 -17.593 1.00 52.54 C ATOM 873 O LEU A 57 25.164 -19.490 -18.520 1.00 60.35 O ATOM 874 CB LEU A 57 22.037 -19.392 -18.518 1.00 74.01 C ATOM 875 CG LEU A 57 21.990 -19.168 -20.030 1.00 65.41 C ATOM 876 CD1 LEU A 57 21.494 -20.418 -20.739 1.00 60.15 C ATOM 877 CD2 LEU A 57 21.104 -17.976 -20.365 1.00 20.50 C ATOM 0 H LEU A 57 24.157 -17.340 -19.058 1.00 23.15 H new ATOM 0 HA LEU A 57 22.695 -18.347 -16.758 1.00 22.42 H new ATOM 0 HB2 LEU A 57 22.222 -20.450 -18.333 1.00 74.01 H new ATOM 0 HB3 LEU A 57 21.054 -19.164 -18.106 1.00 74.01 H new ATOM 0 HG LEU A 57 23.000 -18.954 -20.378 1.00 65.41 H new ATOM 0 HD11 LEU A 57 21.467 -20.240 -21.814 1.00 60.15 H new ATOM 0 HD12 LEU A 57 22.167 -21.249 -20.525 1.00 60.15 H new ATOM 0 HD13 LEU A 57 20.492 -20.663 -20.387 1.00 60.15 H new ATOM 0 HD21 LEU A 57 21.082 -17.831 -21.445 1.00 20.50 H new ATOM 0 HD22 LEU A 57 20.093 -18.161 -20.003 1.00 20.50 H new ATOM 0 HD23 LEU A 57 21.502 -17.081 -19.887 1.00 20.50 H new ATOM 889 N ASP A 58 24.541 -19.978 -16.414 1.00 34.22 N ATOM 890 CA ASP A 58 25.722 -20.788 -16.135 1.00 0.11 C ATOM 891 C ASP A 58 25.649 -22.124 -16.867 1.00 63.43 C ATOM 892 O ASP A 58 24.884 -23.013 -16.486 1.00 41.24 O ATOM 893 CB ASP A 58 25.862 -21.023 -14.630 1.00 24.31 C ATOM 894 CG ASP A 58 25.668 -19.753 -13.826 1.00 42.33 C ATOM 895 OD1 ASP A 58 26.644 -18.987 -13.682 1.00 22.34 O1- ATOM 896 OD2 ASP A 58 24.540 -19.526 -13.339 1.00 2.41 O ATOM 0 H ASP A 58 23.885 -19.906 -15.636 1.00 34.22 H new ATOM 0 HA ASP A 58 26.597 -20.246 -16.492 1.00 0.11 H new ATOM 0 HB2 ASP A 58 25.131 -21.766 -14.312 1.00 24.31 H new ATOM 0 HB3 ASP A 58 26.849 -21.436 -14.420 1.00 24.31 H new ATOM 901 N LEU A 59 26.448 -22.262 -17.919 1.00 33.22 N ATOM 902 CA LEU A 59 26.473 -23.489 -18.706 1.00 60.20 C ATOM 903 C LEU A 59 27.830 -24.178 -18.596 1.00 1.03 C ATOM 904 O LEU A 59 28.861 -23.542 -18.376 1.00 70.11 O ATOM 905 CB LEU A 59 26.160 -23.186 -20.172 1.00 32.04 C ATOM 906 CG LEU A 59 24.974 -22.256 -20.427 1.00 60.02 C ATOM 907 CD1 LEU A 59 25.029 -21.695 -21.839 1.00 43.15 C ATOM 908 CD2 LEU A 59 23.661 -22.988 -20.192 1.00 1.32 C ATOM 0 H LEU A 59 27.088 -21.538 -18.247 1.00 33.22 H new ATOM 0 HA LEU A 59 25.711 -24.160 -18.310 1.00 60.20 H new ATOM 0 HB2 LEU A 59 27.046 -22.745 -20.628 1.00 32.04 H new ATOM 0 HB3 LEU A 59 25.973 -24.129 -20.685 1.00 32.04 H new ATOM 0 HG LEU A 59 25.033 -21.424 -19.725 1.00 60.02 H new ATOM 0 HD11 LEU A 59 24.177 -21.035 -22.002 1.00 43.15 H new ATOM 0 HD12 LEU A 59 25.953 -21.133 -21.971 1.00 43.15 H new ATOM 0 HD13 LEU A 59 24.996 -22.514 -22.557 1.00 43.15 H new ATOM 0 HD21 LEU A 59 22.828 -22.310 -20.378 1.00 1.32 H new ATOM 0 HD22 LEU A 59 23.593 -23.840 -20.868 1.00 1.32 H new ATOM 0 HD23 LEU A 59 23.620 -23.339 -19.161 1.00 1.32 H new ATOM 920 N PRO A 60 27.832 -25.510 -18.754 1.00 53.42 N ATOM 921 CA PRO A 60 29.056 -26.315 -18.680 1.00 72.32 C ATOM 922 C PRO A 60 29.981 -26.073 -19.868 1.00 43.23 C ATOM 923 O PRO A 60 29.526 -25.756 -20.966 1.00 43.11 O ATOM 924 CB PRO A 60 28.535 -27.754 -18.691 1.00 45.22 C ATOM 925 CG PRO A 60 27.217 -27.675 -19.381 1.00 34.34 C ATOM 926 CD PRO A 60 26.641 -26.335 -19.019 1.00 31.23 C ATOM 0 HA PRO A 60 29.653 -26.071 -17.801 1.00 72.32 H new ATOM 0 HB2 PRO A 60 29.219 -28.419 -19.219 1.00 45.22 H new ATOM 0 HB3 PRO A 60 28.429 -28.144 -17.679 1.00 45.22 H new ATOM 0 HG2 PRO A 60 27.335 -27.770 -20.460 1.00 34.34 H new ATOM 0 HG3 PRO A 60 26.559 -28.482 -19.060 1.00 34.34 H new ATOM 0 HD2 PRO A 60 26.040 -25.924 -19.830 1.00 31.23 H new ATOM 0 HD3 PRO A 60 25.994 -26.399 -18.144 1.00 31.23 H new ATOM 934 N GLU A 61 31.282 -26.226 -19.639 1.00 34.34 N ATOM 935 CA GLU A 61 32.270 -26.024 -20.691 1.00 51.40 C ATOM 936 C GLU A 61 32.081 -27.036 -21.818 1.00 71.00 C ATOM 937 O GLU A 61 32.286 -28.235 -21.632 1.00 52.22 O ATOM 938 CB GLU A 61 33.686 -26.138 -20.121 1.00 14.52 C ATOM 939 CG GLU A 61 34.771 -26.147 -21.185 1.00 12.24 C ATOM 940 CD GLU A 61 35.176 -27.550 -21.594 1.00 4.13 C ATOM 941 OE1 GLU A 61 35.608 -28.323 -20.713 1.00 62.21 O ATOM 942 OE2 GLU A 61 35.061 -27.875 -22.794 1.00 14.15 O1- ATOM 0 H GLU A 61 31.675 -26.489 -18.735 1.00 34.34 H new ATOM 0 HA GLU A 61 32.129 -25.023 -21.098 1.00 51.40 H new ATOM 0 HB2 GLU A 61 33.863 -25.305 -19.441 1.00 14.52 H new ATOM 0 HB3 GLU A 61 33.759 -27.052 -19.532 1.00 14.52 H new ATOM 0 HG2 GLU A 61 34.419 -25.604 -22.062 1.00 12.24 H new ATOM 0 HG3 GLU A 61 35.646 -25.615 -20.811 1.00 12.24 H new ATOM 949 N GLY A 62 31.687 -26.544 -22.989 1.00 75.14 N ATOM 950 CA GLY A 62 31.475 -27.417 -24.128 1.00 3.44 C ATOM 951 C GLY A 62 30.740 -26.726 -25.260 1.00 3.40 C ATOM 952 O GLY A 62 31.015 -25.568 -25.570 1.00 30.13 O ATOM 0 H GLY A 62 31.511 -25.556 -23.169 1.00 75.14 H new ATOM 0 HA2 GLY A 62 32.438 -27.777 -24.490 1.00 3.44 H new ATOM 0 HA3 GLY A 62 30.907 -28.292 -23.811 1.00 3.44 H new ATOM 956 N GLU A 63 29.806 -27.440 -25.879 1.00 44.04 N ATOM 957 CA GLU A 63 29.031 -26.888 -26.984 1.00 31.31 C ATOM 958 C GLU A 63 27.551 -27.222 -26.833 1.00 34.40 C ATOM 959 O GLU A 63 27.220 -28.351 -26.474 1.00 55.14 O ATOM 960 CB GLU A 63 29.552 -27.426 -28.320 1.00 71.45 C ATOM 961 CG GLU A 63 28.654 -27.099 -29.500 1.00 41.01 C ATOM 962 CD GLU A 63 27.589 -28.152 -29.732 1.00 64.35 C ATOM 963 OE1 GLU A 63 27.907 -29.191 -30.348 1.00 13.32 O ATOM 964 OE2 GLU A 63 26.437 -27.939 -29.298 1.00 63.41 O1- ATOM 0 H GLU A 63 29.567 -28.401 -25.635 1.00 44.04 H new ATOM 0 HA GLU A 63 29.144 -25.804 -26.966 1.00 31.31 H new ATOM 0 HB2 GLU A 63 30.545 -27.015 -28.505 1.00 71.45 H new ATOM 0 HB3 GLU A 63 29.663 -28.508 -28.248 1.00 71.45 H new ATOM 0 HG2 GLU A 63 28.175 -26.135 -29.331 1.00 41.01 H new ATOM 0 HG3 GLU A 63 29.263 -26.999 -30.399 1.00 41.01 H new ATOM 971 N HIS A 64 26.700 -26.243 -27.106 1.00 11.42 N ATOM 972 CA HIS A 64 25.266 -26.446 -26.995 1.00 43.11 C ATOM 973 C HIS A 64 24.547 -25.626 -28.069 1.00 20.11 C ATOM 974 O HIS A 64 25.118 -24.739 -28.703 1.00 22.41 O ATOM 975 CB HIS A 64 24.779 -26.125 -25.581 1.00 0.52 C ATOM 976 CG HIS A 64 25.891 -25.855 -24.596 1.00 30.40 C ATOM 977 ND1 HIS A 64 26.706 -24.771 -24.445 1.00 23.24 N flip ATOM 978 CD2 HIS A 64 26.267 -26.763 -23.621 1.00 51.01 C flip ATOM 979 CE1 HIS A 64 27.532 -25.004 -23.433 1.00 5.41 C flip ATOM 980 NE2 HIS A 64 27.262 -26.238 -22.921 1.00 33.03 N flip ATOM 0 H HIS A 64 26.977 -25.307 -27.404 1.00 11.42 H new ATOM 0 HA HIS A 64 25.030 -27.496 -27.169 1.00 43.11 H new ATOM 0 HB2 HIS A 64 24.124 -25.255 -25.622 1.00 0.52 H new ATOM 0 HB3 HIS A 64 24.179 -26.959 -25.216 1.00 0.52 H new ATOM 0 HD2 HIS A 64 25.824 -27.735 -23.458 1.00 51.01 H new ATOM 0 HE1 HIS A 64 28.293 -24.327 -23.074 1.00 5.41 H new ATOM 0 HE2 HIS A 64 27.742 -26.680 -22.137 1.00 33.03 H new ATOM 988 N GLN A 65 23.271 -25.946 -28.259 1.00 1.42 N ATOM 989 CA GLN A 65 22.450 -25.257 -29.249 1.00 75.43 C ATOM 990 C GLN A 65 21.234 -24.613 -28.593 1.00 40.13 C ATOM 991 O GLN A 65 20.539 -25.244 -27.795 1.00 52.02 O ATOM 992 CB GLN A 65 22.002 -26.231 -30.338 1.00 73.02 C ATOM 993 CG GLN A 65 22.813 -26.125 -31.621 1.00 71.31 C ATOM 994 CD GLN A 65 23.639 -27.367 -31.892 1.00 43.32 C ATOM 995 OE1 GLN A 65 23.922 -28.150 -30.985 1.00 5.51 O ATOM 996 NE2 GLN A 65 24.032 -27.553 -33.147 1.00 53.03 N ATOM 0 H GLN A 65 22.783 -26.677 -27.741 1.00 1.42 H new ATOM 0 HA GLN A 65 23.054 -24.471 -29.702 1.00 75.43 H new ATOM 0 HB2 GLN A 65 22.074 -27.249 -29.955 1.00 73.02 H new ATOM 0 HB3 GLN A 65 20.952 -26.050 -30.566 1.00 73.02 H new ATOM 0 HG2 GLN A 65 22.139 -25.951 -32.460 1.00 71.31 H new ATOM 0 HG3 GLN A 65 23.473 -25.260 -31.559 1.00 71.31 H new ATOM 0 HE21 GLN A 65 23.775 -26.878 -33.867 1.00 53.03 H new ATOM 0 HE22 GLN A 65 24.591 -28.371 -33.390 1.00 53.03 H new ATOM 1005 N TYR A 66 20.982 -23.354 -28.933 1.00 4.15 N ATOM 1006 CA TYR A 66 19.849 -22.624 -28.375 1.00 72.34 C ATOM 1007 C TYR A 66 18.997 -22.011 -29.483 1.00 74.34 C ATOM 1008 O TYR A 66 19.245 -22.232 -30.668 1.00 1.32 O ATOM 1009 CB TYR A 66 20.339 -21.528 -27.427 1.00 10.24 C ATOM 1010 CG TYR A 66 21.171 -20.465 -28.109 1.00 32.44 C ATOM 1011 CD1 TYR A 66 22.470 -20.731 -28.524 1.00 40.20 C ATOM 1012 CD2 TYR A 66 20.656 -19.194 -28.340 1.00 2.13 C ATOM 1013 CE1 TYR A 66 23.233 -19.762 -29.147 1.00 2.40 C ATOM 1014 CE2 TYR A 66 21.412 -18.221 -28.964 1.00 71.43 C ATOM 1015 CZ TYR A 66 22.700 -18.509 -29.364 1.00 22.23 C ATOM 1016 OH TYR A 66 23.457 -17.543 -29.986 1.00 12.33 O ATOM 0 H TYR A 66 21.546 -22.818 -29.592 1.00 4.15 H new ATOM 0 HA TYR A 66 19.234 -23.330 -27.817 1.00 72.34 H new ATOM 0 HB2 TYR A 66 19.478 -21.056 -26.955 1.00 10.24 H new ATOM 0 HB3 TYR A 66 20.928 -21.984 -26.632 1.00 10.24 H new ATOM 0 HD1 TYR A 66 22.890 -21.712 -28.357 1.00 40.20 H new ATOM 0 HD2 TYR A 66 19.648 -18.964 -28.026 1.00 2.13 H new ATOM 0 HE1 TYR A 66 24.242 -19.985 -29.462 1.00 2.40 H new ATOM 0 HE2 TYR A 66 20.997 -17.239 -29.138 1.00 71.43 H new ATOM 0 HH TYR A 66 22.905 -17.065 -30.639 1.00 12.33 H new ATOM 1026 N LYS A 67 17.991 -21.238 -29.086 1.00 53.20 N ATOM 1027 CA LYS A 67 17.102 -20.590 -30.042 1.00 62.12 C ATOM 1028 C LYS A 67 16.435 -19.365 -29.422 1.00 21.43 C ATOM 1029 O LYS A 67 16.082 -19.369 -28.243 1.00 63.05 O ATOM 1030 CB LYS A 67 16.034 -21.574 -30.527 1.00 52.15 C ATOM 1031 CG LYS A 67 15.117 -21.002 -31.592 1.00 4.31 C ATOM 1032 CD LYS A 67 15.766 -21.039 -32.966 1.00 75.43 C ATOM 1033 CE LYS A 67 14.900 -20.350 -34.010 1.00 71.15 C ATOM 1034 NZ LYS A 67 13.741 -21.195 -34.413 1.00 33.33 N1+ ATOM 0 H LYS A 67 17.772 -21.046 -28.109 1.00 53.20 H new ATOM 0 HA LYS A 67 17.701 -20.265 -30.893 1.00 62.12 H new ATOM 0 HB2 LYS A 67 16.525 -22.464 -30.922 1.00 52.15 H new ATOM 0 HB3 LYS A 67 15.433 -21.893 -29.676 1.00 52.15 H new ATOM 0 HG2 LYS A 67 14.186 -21.568 -31.613 1.00 4.31 H new ATOM 0 HG3 LYS A 67 14.860 -19.974 -31.338 1.00 4.31 H new ATOM 0 HD2 LYS A 67 16.741 -20.553 -32.922 1.00 75.43 H new ATOM 0 HD3 LYS A 67 15.938 -22.074 -33.260 1.00 75.43 H new ATOM 0 HE2 LYS A 67 14.538 -19.402 -33.613 1.00 71.15 H new ATOM 0 HE3 LYS A 67 15.504 -20.119 -34.888 1.00 71.15 H new ATOM 0 HZ1 LYS A 67 12.945 -20.584 -34.686 1.00 33.33 H new ATOM 0 HZ2 LYS A 67 14.011 -21.793 -35.220 1.00 33.33 H new ATOM 0 HZ3 LYS A 67 13.457 -21.798 -33.615 1.00 33.33 H new ATOM 1048 N PHE A 68 16.264 -18.321 -30.225 1.00 0.13 N ATOM 1049 CA PHE A 68 15.640 -17.090 -29.754 1.00 34.41 C ATOM 1050 C PHE A 68 14.130 -17.127 -29.976 1.00 74.51 C ATOM 1051 O PHE A 68 13.643 -17.767 -30.909 1.00 43.04 O ATOM 1052 CB PHE A 68 16.241 -15.880 -30.474 1.00 21.54 C ATOM 1053 CG PHE A 68 17.604 -15.501 -29.969 1.00 34.32 C ATOM 1054 CD1 PHE A 68 17.856 -15.420 -28.608 1.00 24.44 C ATOM 1055 CD2 PHE A 68 18.633 -15.224 -30.854 1.00 45.22 C ATOM 1056 CE1 PHE A 68 19.109 -15.070 -28.142 1.00 64.40 C ATOM 1057 CE2 PHE A 68 19.888 -14.873 -30.393 1.00 21.32 C ATOM 1058 CZ PHE A 68 20.126 -14.797 -29.035 1.00 60.24 C ATOM 0 H PHE A 68 16.548 -18.302 -31.204 1.00 0.13 H new ATOM 0 HA PHE A 68 15.832 -17.001 -28.685 1.00 34.41 H new ATOM 0 HB2 PHE A 68 16.304 -16.096 -31.541 1.00 21.54 H new ATOM 0 HB3 PHE A 68 15.570 -15.029 -30.360 1.00 21.54 H new ATOM 0 HD1 PHE A 68 17.065 -15.633 -27.905 1.00 24.44 H new ATOM 0 HD2 PHE A 68 18.453 -15.283 -31.917 1.00 45.22 H new ATOM 0 HE1 PHE A 68 19.293 -15.010 -27.079 1.00 64.40 H new ATOM 0 HE2 PHE A 68 20.681 -14.659 -31.094 1.00 21.32 H new ATOM 0 HZ PHE A 68 21.106 -14.524 -28.672 1.00 60.24 H new ATOM 1068 N PHE A 69 13.394 -16.438 -29.111 1.00 64.40 N ATOM 1069 CA PHE A 69 11.940 -16.393 -29.209 1.00 63.41 C ATOM 1070 C PHE A 69 11.429 -14.961 -29.071 1.00 34.32 C ATOM 1071 O PHE A 69 11.236 -14.464 -27.961 1.00 62.44 O ATOM 1072 CB PHE A 69 11.307 -17.278 -28.133 1.00 5.13 C ATOM 1073 CG PHE A 69 9.808 -17.332 -28.207 1.00 23.30 C ATOM 1074 CD1 PHE A 69 9.176 -18.164 -29.117 1.00 14.24 C ATOM 1075 CD2 PHE A 69 9.031 -16.553 -27.366 1.00 42.11 C ATOM 1076 CE1 PHE A 69 7.797 -18.217 -29.189 1.00 13.20 C ATOM 1077 CE2 PHE A 69 7.651 -16.602 -27.432 1.00 52.12 C ATOM 1078 CZ PHE A 69 7.033 -17.434 -28.345 1.00 3.22 C ATOM 0 H PHE A 69 13.781 -15.903 -28.334 1.00 64.40 H new ATOM 0 HA PHE A 69 11.656 -16.768 -30.192 1.00 63.41 H new ATOM 0 HB2 PHE A 69 11.704 -18.289 -28.225 1.00 5.13 H new ATOM 0 HB3 PHE A 69 11.601 -16.909 -27.151 1.00 5.13 H new ATOM 0 HD1 PHE A 69 9.769 -18.779 -29.778 1.00 14.24 H new ATOM 0 HD2 PHE A 69 9.508 -15.900 -26.651 1.00 42.11 H new ATOM 0 HE1 PHE A 69 7.317 -18.869 -29.904 1.00 13.20 H new ATOM 0 HE2 PHE A 69 7.056 -15.990 -26.770 1.00 52.12 H new ATOM 0 HZ PHE A 69 5.955 -17.472 -28.399 1.00 3.22 H new ATOM 1088 N VAL A 70 11.214 -14.305 -30.206 1.00 51.23 N ATOM 1089 CA VAL A 70 10.726 -12.931 -30.213 1.00 53.12 C ATOM 1090 C VAL A 70 9.427 -12.813 -31.004 1.00 13.23 C ATOM 1091 O VAL A 70 9.191 -13.571 -31.945 1.00 23.10 O ATOM 1092 CB VAL A 70 11.768 -11.968 -30.813 1.00 52.31 C ATOM 1093 CG1 VAL A 70 11.329 -10.523 -30.627 1.00 23.12 C ATOM 1094 CG2 VAL A 70 13.134 -12.204 -30.184 1.00 41.35 C ATOM 0 H VAL A 70 11.370 -14.702 -31.132 1.00 51.23 H new ATOM 0 HA VAL A 70 10.543 -12.655 -29.175 1.00 53.12 H new ATOM 0 HB VAL A 70 11.846 -12.164 -31.882 1.00 52.31 H new ATOM 0 HG11 VAL A 70 12.077 -9.857 -31.057 1.00 23.12 H new ATOM 0 HG12 VAL A 70 10.373 -10.366 -31.127 1.00 23.12 H new ATOM 0 HG13 VAL A 70 11.221 -10.309 -29.564 1.00 23.12 H new ATOM 0 HG21 VAL A 70 13.859 -11.516 -30.619 1.00 41.35 H new ATOM 0 HG22 VAL A 70 13.073 -12.036 -29.109 1.00 41.35 H new ATOM 0 HG23 VAL A 70 13.449 -13.230 -30.373 1.00 41.35 H new ATOM 1104 N ASP A 71 8.590 -11.858 -30.616 1.00 3.15 N ATOM 1105 CA ASP A 71 7.315 -11.640 -31.290 1.00 54.03 C ATOM 1106 C ASP A 71 6.434 -12.882 -31.201 1.00 20.14 C ATOM 1107 O ASP A 71 5.702 -13.205 -32.136 1.00 62.44 O ATOM 1108 CB ASP A 71 7.545 -11.266 -32.754 1.00 64.34 C ATOM 1109 CG ASP A 71 6.452 -10.369 -33.301 1.00 14.24 C ATOM 1110 OD1 ASP A 71 5.267 -10.751 -33.205 1.00 63.53 O ATOM 1111 OD2 ASP A 71 6.782 -9.284 -33.826 1.00 51.33 O1- ATOM 0 H ASP A 71 8.771 -11.223 -29.839 1.00 3.15 H new ATOM 0 HA ASP A 71 6.804 -10.818 -30.790 1.00 54.03 H new ATOM 0 HB2 ASP A 71 8.507 -10.762 -32.850 1.00 64.34 H new ATOM 0 HB3 ASP A 71 7.600 -12.174 -33.354 1.00 64.34 H new ATOM 1116 N GLY A 72 6.510 -13.577 -30.070 1.00 2.30 N ATOM 1117 CA GLY A 72 5.715 -14.777 -29.882 1.00 30.24 C ATOM 1118 C GLY A 72 6.045 -15.856 -30.894 1.00 72.25 C ATOM 1119 O GLY A 72 5.170 -16.616 -31.306 1.00 21.11 O ATOM 0 H GLY A 72 7.108 -13.331 -29.281 1.00 2.30 H new ATOM 0 HA2 GLY A 72 5.879 -15.164 -28.876 1.00 30.24 H new ATOM 0 HA3 GLY A 72 4.657 -14.524 -29.957 1.00 30.24 H new ATOM 1123 N GLN A 73 7.310 -15.921 -31.297 1.00 45.23 N ATOM 1124 CA GLN A 73 7.751 -16.913 -32.270 1.00 20.11 C ATOM 1125 C GLN A 73 9.251 -17.160 -32.153 1.00 25.04 C ATOM 1126 O GLN A 73 10.002 -16.288 -31.714 1.00 32.35 O ATOM 1127 CB GLN A 73 7.406 -16.456 -33.688 1.00 33.33 C ATOM 1128 CG GLN A 73 8.135 -15.193 -34.115 1.00 51.12 C ATOM 1129 CD GLN A 73 8.130 -14.994 -35.617 1.00 31.44 C ATOM 1130 OE1 GLN A 73 7.338 -14.215 -36.149 1.00 52.31 O ATOM 1131 NE2 GLN A 73 9.015 -15.700 -36.311 1.00 32.52 N ATOM 0 H GLN A 73 8.047 -15.299 -30.965 1.00 45.23 H new ATOM 0 HA GLN A 73 7.230 -17.847 -32.061 1.00 20.11 H new ATOM 0 HB2 GLN A 73 7.645 -17.257 -34.387 1.00 33.33 H new ATOM 0 HB3 GLN A 73 6.332 -16.285 -33.754 1.00 33.33 H new ATOM 0 HG2 GLN A 73 7.670 -14.331 -33.637 1.00 51.12 H new ATOM 0 HG3 GLN A 73 9.165 -15.236 -33.762 1.00 51.12 H new ATOM 0 HE21 GLN A 73 9.652 -16.334 -35.829 1.00 32.52 H new ATOM 0 HE22 GLN A 73 9.057 -15.608 -37.326 1.00 32.52 H new ATOM 1140 N TRP A 74 9.682 -18.353 -32.547 1.00 23.22 N ATOM 1141 CA TRP A 74 11.093 -18.714 -32.486 1.00 12.20 C ATOM 1142 C TRP A 74 11.845 -18.185 -33.703 1.00 60.11 C ATOM 1143 O TRP A 74 11.582 -18.596 -34.833 1.00 24.22 O ATOM 1144 CB TRP A 74 11.249 -20.233 -32.397 1.00 50.12 C ATOM 1145 CG TRP A 74 10.730 -20.809 -31.114 1.00 43.22 C ATOM 1146 CD1 TRP A 74 9.520 -21.411 -30.916 1.00 54.41 C ATOM 1147 CD2 TRP A 74 11.404 -20.834 -29.851 1.00 32.22 C ATOM 1148 NE1 TRP A 74 9.402 -21.809 -29.606 1.00 41.32 N ATOM 1149 CE2 TRP A 74 10.544 -21.468 -28.932 1.00 15.44 C ATOM 1150 CE3 TRP A 74 12.651 -20.385 -29.407 1.00 73.11 C ATOM 1151 CZ2 TRP A 74 10.893 -21.661 -27.599 1.00 32.40 C ATOM 1152 CZ3 TRP A 74 12.995 -20.577 -28.083 1.00 32.22 C ATOM 1153 CH2 TRP A 74 12.120 -21.211 -27.191 1.00 52.42 C ATOM 0 H TRP A 74 9.074 -19.086 -32.912 1.00 23.22 H new ATOM 0 HA TRP A 74 11.519 -18.258 -31.592 1.00 12.20 H new ATOM 0 HB2 TRP A 74 10.724 -20.695 -33.233 1.00 50.12 H new ATOM 0 HB3 TRP A 74 12.303 -20.490 -32.502 1.00 50.12 H new ATOM 0 HD1 TRP A 74 8.767 -21.553 -31.677 1.00 54.41 H new ATOM 0 HE1 TRP A 74 8.594 -22.282 -29.201 1.00 41.32 H new ATOM 0 HE3 TRP A 74 13.333 -19.897 -30.087 1.00 73.11 H new ATOM 0 HZ2 TRP A 74 10.219 -22.149 -26.910 1.00 32.40 H new ATOM 0 HZ3 TRP A 74 13.955 -20.232 -27.729 1.00 32.22 H new ATOM 0 HH2 TRP A 74 12.419 -21.347 -26.162 1.00 52.42 H new ATOM 1164 N VAL A 75 12.779 -17.271 -33.465 1.00 42.22 N ATOM 1165 CA VAL A 75 13.569 -16.686 -34.543 1.00 53.15 C ATOM 1166 C VAL A 75 15.059 -16.918 -34.320 1.00 42.43 C ATOM 1167 O VAL A 75 15.477 -17.357 -33.248 1.00 15.11 O ATOM 1168 CB VAL A 75 13.310 -15.174 -34.671 1.00 14.03 C ATOM 1169 CG1 VAL A 75 11.840 -14.906 -34.956 1.00 25.31 C ATOM 1170 CG2 VAL A 75 13.758 -14.447 -33.412 1.00 33.52 C ATOM 0 H VAL A 75 13.008 -16.919 -32.535 1.00 42.22 H new ATOM 0 HA VAL A 75 13.261 -17.179 -35.465 1.00 53.15 H new ATOM 0 HB VAL A 75 13.894 -14.794 -35.509 1.00 14.03 H new ATOM 0 HG11 VAL A 75 11.676 -13.832 -35.043 1.00 25.31 H new ATOM 0 HG12 VAL A 75 11.555 -15.393 -35.889 1.00 25.31 H new ATOM 0 HG13 VAL A 75 11.234 -15.300 -34.141 1.00 25.31 H new ATOM 0 HG21 VAL A 75 13.567 -13.379 -33.521 1.00 33.52 H new ATOM 0 HG22 VAL A 75 13.204 -14.829 -32.555 1.00 33.52 H new ATOM 0 HG23 VAL A 75 14.824 -14.611 -33.257 1.00 33.52 H new ATOM 1180 N HIS A 76 15.858 -16.620 -35.340 1.00 54.12 N ATOM 1181 CA HIS A 76 17.303 -16.795 -35.255 1.00 10.02 C ATOM 1182 C HIS A 76 18.026 -15.767 -36.119 1.00 43.22 C ATOM 1183 O HIS A 76 17.446 -15.204 -37.048 1.00 33.44 O ATOM 1184 CB HIS A 76 17.693 -18.208 -35.690 1.00 62.13 C ATOM 1185 CG HIS A 76 17.525 -18.452 -37.159 1.00 63.23 C ATOM 1186 ND1 HIS A 76 18.224 -17.984 -38.219 1.00 33.14 N flip ATOM 1187 CD2 HIS A 76 16.537 -19.260 -37.680 1.00 1.42 C flip ATOM 1188 CE1 HIS A 76 17.653 -18.515 -39.350 1.00 52.22 C flip ATOM 1189 NE2 HIS A 76 16.637 -19.282 -38.996 1.00 14.42 N flip ATOM 0 H HIS A 76 15.529 -16.256 -36.234 1.00 54.12 H new ATOM 0 HA HIS A 76 17.602 -16.647 -34.217 1.00 10.02 H new ATOM 0 HB2 HIS A 76 18.733 -18.389 -35.417 1.00 62.13 H new ATOM 0 HB3 HIS A 76 17.088 -18.928 -35.139 1.00 62.13 H new ATOM 0 HD2 HIS A 76 15.796 -19.792 -37.101 1.00 1.42 H new ATOM 0 HE1 HIS A 76 17.981 -18.335 -40.363 1.00 52.22 H new ATOM 0 HE2 HIS A 76 16.033 -19.803 -39.632 1.00 14.42 H new ATOM 1197 N ASP A 77 19.295 -15.526 -35.806 1.00 61.11 N ATOM 1198 CA ASP A 77 20.097 -14.565 -36.554 1.00 41.41 C ATOM 1199 C ASP A 77 20.925 -15.266 -37.627 1.00 24.02 C ATOM 1200 O ASP A 77 21.556 -16.295 -37.385 1.00 23.04 O ATOM 1201 CB ASP A 77 21.016 -13.790 -35.609 1.00 44.44 C ATOM 1202 CG ASP A 77 20.320 -12.608 -34.964 1.00 1.12 C ATOM 1203 OD1 ASP A 77 19.916 -11.684 -35.700 1.00 10.11 O1- ATOM 1204 OD2 ASP A 77 20.178 -12.607 -33.723 1.00 34.33 O ATOM 0 H ASP A 77 19.790 -15.983 -35.040 1.00 61.11 H new ATOM 0 HA ASP A 77 19.419 -13.866 -37.043 1.00 41.41 H new ATOM 0 HB2 ASP A 77 21.382 -14.461 -34.832 1.00 44.44 H new ATOM 0 HB3 ASP A 77 21.887 -13.438 -36.162 1.00 44.44 H new ATOM 1209 N PRO A 78 20.923 -14.698 -38.842 1.00 15.43 N ATOM 1210 CA PRO A 78 21.669 -15.252 -39.976 1.00 4.43 C ATOM 1211 C PRO A 78 23.178 -15.110 -39.803 1.00 61.31 C ATOM 1212 O PRO A 78 23.952 -15.892 -40.355 1.00 23.50 O ATOM 1213 CB PRO A 78 21.185 -14.415 -41.162 1.00 61.03 C ATOM 1214 CG PRO A 78 20.741 -13.126 -40.560 1.00 70.11 C ATOM 1215 CD PRO A 78 20.194 -13.471 -39.202 1.00 31.15 C ATOM 0 HA PRO A 78 21.497 -16.322 -40.094 1.00 4.43 H new ATOM 0 HB2 PRO A 78 21.983 -14.259 -41.888 1.00 61.03 H new ATOM 0 HB3 PRO A 78 20.368 -14.909 -41.688 1.00 61.03 H new ATOM 0 HG2 PRO A 78 21.572 -12.426 -40.480 1.00 70.11 H new ATOM 0 HG3 PRO A 78 19.980 -12.648 -41.177 1.00 70.11 H new ATOM 0 HD2 PRO A 78 20.372 -12.672 -38.482 1.00 31.15 H new ATOM 0 HD3 PRO A 78 19.117 -13.638 -39.233 1.00 31.15 H new ATOM 1223 N SER A 79 23.589 -14.107 -39.034 1.00 34.01 N ATOM 1224 CA SER A 79 25.005 -13.860 -38.791 1.00 21.01 C ATOM 1225 C SER A 79 25.578 -14.890 -37.823 1.00 1.21 C ATOM 1226 O SER A 79 26.759 -15.227 -37.886 1.00 44.53 O ATOM 1227 CB SER A 79 25.211 -12.450 -38.235 1.00 32.35 C ATOM 1228 OG SER A 79 25.398 -11.511 -39.281 1.00 23.51 O ATOM 0 H SER A 79 22.961 -13.452 -38.568 1.00 34.01 H new ATOM 0 HA SER A 79 25.532 -13.948 -39.741 1.00 21.01 H new ATOM 0 HB2 SER A 79 24.348 -12.163 -37.634 1.00 32.35 H new ATOM 0 HB3 SER A 79 26.077 -12.440 -37.574 1.00 32.35 H new ATOM 0 HG SER A 79 25.526 -10.617 -38.899 1.00 23.51 H new ATOM 1234 N GLU A 80 24.731 -15.384 -36.925 1.00 41.40 N ATOM 1235 CA GLU A 80 25.153 -16.375 -35.942 1.00 72.34 C ATOM 1236 C GLU A 80 25.173 -17.773 -36.552 1.00 21.05 C ATOM 1237 O GLU A 80 24.557 -18.035 -37.586 1.00 74.53 O ATOM 1238 CB GLU A 80 24.221 -16.350 -34.727 1.00 2.30 C ATOM 1239 CG GLU A 80 24.701 -15.439 -33.610 1.00 10.13 C ATOM 1240 CD GLU A 80 24.018 -15.727 -32.288 1.00 3.42 C ATOM 1241 OE1 GLU A 80 22.902 -16.289 -32.307 1.00 15.10 O ATOM 1242 OE2 GLU A 80 24.598 -15.392 -31.234 1.00 21.22 O1- ATOM 0 H GLU A 80 23.750 -15.114 -36.858 1.00 41.40 H new ATOM 0 HA GLU A 80 26.164 -16.123 -35.621 1.00 72.34 H new ATOM 0 HB2 GLU A 80 23.230 -16.028 -35.047 1.00 2.30 H new ATOM 0 HB3 GLU A 80 24.117 -17.363 -34.339 1.00 2.30 H new ATOM 0 HG2 GLU A 80 25.778 -15.554 -33.491 1.00 10.13 H new ATOM 0 HG3 GLU A 80 24.520 -14.401 -33.890 1.00 10.13 H new ATOM 1249 N PRO A 81 25.898 -18.693 -35.899 1.00 13.13 N ATOM 1250 CA PRO A 81 26.016 -20.080 -36.358 1.00 34.44 C ATOM 1251 C PRO A 81 24.713 -20.855 -36.203 1.00 52.34 C ATOM 1252 O PRO A 81 24.518 -21.572 -35.222 1.00 32.21 O ATOM 1253 CB PRO A 81 27.098 -20.665 -35.446 1.00 71.33 C ATOM 1254 CG PRO A 81 27.042 -19.832 -34.211 1.00 70.53 C ATOM 1255 CD PRO A 81 26.657 -18.450 -34.660 1.00 61.31 C ATOM 0 HA PRO A 81 26.256 -20.139 -37.420 1.00 34.44 H new ATOM 0 HB2 PRO A 81 26.905 -21.715 -35.225 1.00 71.33 H new ATOM 0 HB3 PRO A 81 28.081 -20.614 -35.914 1.00 71.33 H new ATOM 0 HG2 PRO A 81 26.313 -20.230 -33.505 1.00 70.53 H new ATOM 0 HG3 PRO A 81 28.006 -19.823 -33.703 1.00 70.53 H new ATOM 0 HD2 PRO A 81 26.052 -17.938 -33.912 1.00 61.31 H new ATOM 0 HD3 PRO A 81 27.533 -17.828 -34.841 1.00 61.31 H new ATOM 1263 N VAL A 82 23.822 -20.708 -37.179 1.00 53.33 N ATOM 1264 CA VAL A 82 22.537 -21.395 -37.153 1.00 75.02 C ATOM 1265 C VAL A 82 22.618 -22.739 -37.869 1.00 72.11 C ATOM 1266 O VAL A 82 23.465 -22.941 -38.739 1.00 30.20 O ATOM 1267 CB VAL A 82 21.431 -20.544 -37.804 1.00 12.11 C ATOM 1268 CG1 VAL A 82 21.191 -19.276 -37.000 1.00 54.42 C ATOM 1269 CG2 VAL A 82 21.792 -20.212 -39.244 1.00 55.33 C ATOM 0 H VAL A 82 23.968 -20.118 -37.998 1.00 53.33 H new ATOM 0 HA VAL A 82 22.288 -21.559 -36.105 1.00 75.02 H new ATOM 0 HB VAL A 82 20.507 -21.123 -37.810 1.00 12.11 H new ATOM 0 HG11 VAL A 82 20.406 -18.687 -37.475 1.00 54.42 H new ATOM 0 HG12 VAL A 82 20.885 -19.540 -35.988 1.00 54.42 H new ATOM 0 HG13 VAL A 82 22.110 -18.691 -36.960 1.00 54.42 H new ATOM 0 HG21 VAL A 82 20.999 -19.610 -39.688 1.00 55.33 H new ATOM 0 HG22 VAL A 82 22.727 -19.653 -39.265 1.00 55.33 H new ATOM 0 HG23 VAL A 82 21.909 -21.135 -39.812 1.00 55.33 H new ATOM 1279 N VAL A 83 21.730 -23.656 -37.498 1.00 45.51 N ATOM 1280 CA VAL A 83 21.698 -24.980 -38.106 1.00 23.24 C ATOM 1281 C VAL A 83 20.316 -25.610 -37.982 1.00 60.32 C ATOM 1282 O VAL A 83 19.605 -25.386 -37.001 1.00 51.55 O ATOM 1283 CB VAL A 83 22.738 -25.918 -37.464 1.00 54.51 C ATOM 1284 CG1 VAL A 83 22.426 -26.131 -35.990 1.00 32.22 C ATOM 1285 CG2 VAL A 83 22.788 -27.245 -38.204 1.00 63.11 C ATOM 0 H VAL A 83 21.023 -23.506 -36.779 1.00 45.51 H new ATOM 0 HA VAL A 83 21.940 -24.849 -39.161 1.00 23.24 H new ATOM 0 HB VAL A 83 23.719 -25.450 -37.540 1.00 54.51 H new ATOM 0 HG11 VAL A 83 23.171 -26.796 -35.553 1.00 32.22 H new ATOM 0 HG12 VAL A 83 22.447 -25.172 -35.472 1.00 32.22 H new ATOM 0 HG13 VAL A 83 21.437 -26.577 -35.888 1.00 32.22 H new ATOM 0 HG21 VAL A 83 23.528 -27.895 -37.737 1.00 63.11 H new ATOM 0 HG22 VAL A 83 21.809 -27.722 -38.163 1.00 63.11 H new ATOM 0 HG23 VAL A 83 23.063 -27.071 -39.244 1.00 63.11 H new ATOM 1377 N ILE A 90 15.321 -24.426 -37.600 1.00 10.10 N ATOM 1378 CA ILE A 90 16.632 -23.796 -37.501 1.00 62.35 C ATOM 1379 C ILE A 90 16.891 -23.289 -36.086 1.00 75.12 C ATOM 1380 O ILE A 90 16.030 -22.661 -35.474 1.00 35.51 O ATOM 1381 CB ILE A 90 16.769 -22.622 -38.488 1.00 41.43 C ATOM 1382 CG1 ILE A 90 16.406 -23.073 -39.905 1.00 0.30 C ATOM 1383 CG2 ILE A 90 18.184 -22.061 -38.451 1.00 75.22 C ATOM 1384 CD1 ILE A 90 17.410 -24.030 -40.510 1.00 52.12 C ATOM 0 HA ILE A 90 17.369 -24.559 -37.753 1.00 62.35 H new ATOM 0 HB ILE A 90 16.078 -21.833 -38.190 1.00 41.43 H new ATOM 0 HG12 ILE A 90 15.426 -23.551 -39.886 1.00 0.30 H new ATOM 0 HG13 ILE A 90 16.320 -22.196 -40.546 1.00 0.30 H new ATOM 0 HG21 ILE A 90 18.265 -21.232 -39.154 1.00 75.22 H new ATOM 0 HG22 ILE A 90 18.409 -21.707 -37.445 1.00 75.22 H new ATOM 0 HG23 ILE A 90 18.892 -22.842 -38.728 1.00 75.22 H new ATOM 0 HD11 ILE A 90 17.089 -24.307 -41.514 1.00 52.12 H new ATOM 0 HD12 ILE A 90 18.386 -23.548 -40.561 1.00 52.12 H new ATOM 0 HD13 ILE A 90 17.479 -24.925 -39.891 1.00 52.12 H new ATOM 1396 N ASN A 91 18.087 -23.566 -35.574 1.00 74.31 N ATOM 1397 CA ASN A 91 18.462 -23.137 -34.232 1.00 40.23 C ATOM 1398 C ASN A 91 19.875 -22.563 -34.219 1.00 12.32 C ATOM 1399 O ASN A 91 20.685 -22.861 -35.095 1.00 61.32 O ATOM 1400 CB ASN A 91 18.366 -24.309 -33.254 1.00 75.11 C ATOM 1401 CG ASN A 91 18.535 -25.651 -33.941 1.00 53.20 C ATOM 1402 OD1 ASN A 91 17.649 -26.107 -34.664 1.00 42.42 O ATOM 1403 ND2 ASN A 91 19.678 -26.289 -33.718 1.00 13.21 N ATOM 0 H ASN A 91 18.812 -24.085 -36.069 1.00 74.31 H new ATOM 0 HA ASN A 91 17.769 -22.355 -33.921 1.00 40.23 H new ATOM 0 HB2 ASN A 91 19.130 -24.199 -32.484 1.00 75.11 H new ATOM 0 HB3 ASN A 91 17.399 -24.281 -32.751 1.00 75.11 H new ATOM 0 HD21 ASN A 91 19.850 -27.195 -34.154 1.00 13.21 H new ATOM 0 HD22 ASN A 91 20.384 -25.873 -33.111 1.00 13.21 H new ATOM 1410 N ASN A 92 20.163 -21.738 -33.217 1.00 4.32 N ATOM 1411 CA ASN A 92 21.479 -21.120 -33.089 1.00 54.51 C ATOM 1412 C ASN A 92 22.480 -22.098 -32.482 1.00 33.33 C ATOM 1413 O ASN A 92 22.127 -23.220 -32.118 1.00 14.13 O ATOM 1414 CB ASN A 92 21.392 -19.860 -32.228 1.00 61.45 C ATOM 1415 CG ASN A 92 20.745 -18.701 -32.961 1.00 60.54 C ATOM 1416 OD1 ASN A 92 19.635 -18.285 -32.631 1.00 53.33 O ATOM 1417 ND2 ASN A 92 21.439 -18.174 -33.963 1.00 23.44 N ATOM 0 H ASN A 92 19.504 -21.482 -32.482 1.00 4.32 H new ATOM 0 HA ASN A 92 21.824 -20.846 -34.086 1.00 54.51 H new ATOM 0 HB2 ASN A 92 20.822 -20.079 -31.325 1.00 61.45 H new ATOM 0 HB3 ASN A 92 22.394 -19.571 -31.910 1.00 61.45 H new ATOM 0 HD21 ASN A 92 21.055 -17.392 -34.494 1.00 23.44 H new ATOM 0 HD22 ASN A 92 22.356 -18.551 -34.202 1.00 23.44 H new ATOM 1424 N LEU A 93 23.731 -21.664 -32.376 1.00 32.05 N ATOM 1425 CA LEU A 93 24.786 -22.500 -31.812 1.00 34.14 C ATOM 1426 C LEU A 93 25.686 -21.689 -30.884 1.00 2.14 C ATOM 1427 O LEU A 93 25.956 -20.515 -31.135 1.00 5.21 O ATOM 1428 CB LEU A 93 25.620 -23.127 -32.930 1.00 74.14 C ATOM 1429 CG LEU A 93 26.861 -23.903 -32.488 1.00 42.32 C ATOM 1430 CD1 LEU A 93 26.474 -25.046 -31.563 1.00 3.13 C ATOM 1431 CD2 LEU A 93 27.621 -24.427 -33.697 1.00 72.43 C ATOM 0 H LEU A 93 24.040 -20.738 -32.673 1.00 32.05 H new ATOM 0 HA LEU A 93 24.315 -23.293 -31.230 1.00 34.14 H new ATOM 0 HB2 LEU A 93 24.979 -23.800 -33.500 1.00 74.14 H new ATOM 0 HB3 LEU A 93 25.934 -22.335 -33.609 1.00 74.14 H new ATOM 0 HG LEU A 93 27.514 -23.224 -31.940 1.00 42.32 H new ATOM 0 HD11 LEU A 93 27.370 -25.587 -31.259 1.00 3.13 H new ATOM 0 HD12 LEU A 93 25.974 -24.647 -30.681 1.00 3.13 H new ATOM 0 HD13 LEU A 93 25.800 -25.725 -32.086 1.00 3.13 H new ATOM 0 HD21 LEU A 93 28.501 -24.977 -33.363 1.00 72.43 H new ATOM 0 HD22 LEU A 93 26.976 -25.090 -34.273 1.00 72.43 H new ATOM 0 HD23 LEU A 93 27.932 -23.590 -34.322 1.00 72.43 H new ATOM 1443 N ILE A 94 26.146 -22.325 -29.812 1.00 14.30 N ATOM 1444 CA ILE A 94 27.018 -21.665 -28.849 1.00 21.03 C ATOM 1445 C ILE A 94 28.116 -22.605 -28.366 1.00 2.32 C ATOM 1446 O ILE A 94 27.898 -23.808 -28.216 1.00 25.24 O ATOM 1447 CB ILE A 94 26.226 -21.150 -27.633 1.00 25.21 C ATOM 1448 CG1 ILE A 94 27.167 -20.476 -26.632 1.00 25.24 C ATOM 1449 CG2 ILE A 94 25.470 -22.291 -26.972 1.00 53.44 C ATOM 1450 CD1 ILE A 94 26.572 -19.250 -25.974 1.00 45.44 C ATOM 0 H ILE A 94 25.929 -23.296 -29.589 1.00 14.30 H new ATOM 0 HA ILE A 94 27.470 -20.817 -29.363 1.00 21.03 H new ATOM 0 HB ILE A 94 25.502 -20.411 -27.976 1.00 25.21 H new ATOM 0 HG12 ILE A 94 27.440 -21.196 -25.861 1.00 25.24 H new ATOM 0 HG13 ILE A 94 28.087 -20.193 -27.144 1.00 25.24 H new ATOM 0 HG21 ILE A 94 24.915 -21.911 -26.114 1.00 53.44 H new ATOM 0 HG22 ILE A 94 24.775 -22.730 -27.688 1.00 53.44 H new ATOM 0 HG23 ILE A 94 26.177 -23.051 -26.639 1.00 53.44 H new ATOM 0 HD11 ILE A 94 27.294 -18.824 -25.277 1.00 45.44 H new ATOM 0 HD12 ILE A 94 26.325 -18.512 -26.737 1.00 45.44 H new ATOM 0 HD13 ILE A 94 25.668 -19.530 -25.433 1.00 45.44 H new ATOM 1462 N HIS A 95 29.298 -22.050 -28.119 1.00 34.15 N ATOM 1463 CA HIS A 95 30.432 -22.839 -27.649 1.00 64.32 C ATOM 1464 C HIS A 95 31.064 -22.201 -26.416 1.00 64.02 C ATOM 1465 O HIS A 95 31.695 -21.148 -26.504 1.00 35.41 O ATOM 1466 CB HIS A 95 31.476 -22.982 -28.756 1.00 24.45 C ATOM 1467 CG HIS A 95 30.900 -23.403 -30.073 1.00 31.14 C ATOM 1468 ND1 HIS A 95 30.591 -22.512 -31.079 1.00 4.01 N ATOM 1469 CD2 HIS A 95 30.577 -24.629 -30.546 1.00 34.13 C ATOM 1470 CE1 HIS A 95 30.102 -23.171 -32.114 1.00 5.54 C ATOM 1471 NE2 HIS A 95 30.084 -24.458 -31.817 1.00 74.23 N ATOM 0 H HIS A 95 29.496 -21.056 -28.236 1.00 34.15 H new ATOM 0 HA HIS A 95 30.066 -23.829 -27.377 1.00 64.32 H new ATOM 0 HB2 HIS A 95 31.992 -22.030 -28.882 1.00 24.45 H new ATOM 0 HB3 HIS A 95 32.224 -23.712 -28.446 1.00 24.45 H new ATOM 0 HD1 HIS A 95 30.720 -21.501 -31.031 1.00 4.01 H new ATOM 0 HD2 HIS A 95 30.686 -25.567 -30.022 1.00 34.13 H new ATOM 0 HE1 HIS A 95 29.773 -22.732 -33.044 1.00 5.54 H new ATOM 1479 N VAL A 96 30.890 -22.846 -25.267 1.00 71.10 N ATOM 1480 CA VAL A 96 31.444 -22.342 -24.016 1.00 11.24 C ATOM 1481 C VAL A 96 32.754 -23.042 -23.673 1.00 23.32 C ATOM 1482 O VAL A 96 32.901 -24.245 -23.883 1.00 52.24 O ATOM 1483 CB VAL A 96 30.455 -22.526 -22.850 1.00 22.23 C ATOM 1484 CG1 VAL A 96 31.075 -22.052 -21.544 1.00 42.13 C ATOM 1485 CG2 VAL A 96 29.155 -21.788 -23.130 1.00 41.02 C ATOM 0 H VAL A 96 30.370 -23.719 -25.177 1.00 71.10 H new ATOM 0 HA VAL A 96 31.631 -21.278 -24.159 1.00 11.24 H new ATOM 0 HB VAL A 96 30.229 -23.588 -22.754 1.00 22.23 H new ATOM 0 HG11 VAL A 96 30.362 -22.190 -20.731 1.00 42.13 H new ATOM 0 HG12 VAL A 96 31.976 -22.630 -21.338 1.00 42.13 H new ATOM 0 HG13 VAL A 96 31.332 -20.996 -21.626 1.00 42.13 H new ATOM 0 HG21 VAL A 96 28.469 -21.930 -22.295 1.00 41.02 H new ATOM 0 HG22 VAL A 96 29.360 -20.725 -23.255 1.00 41.02 H new ATOM 0 HG23 VAL A 96 28.703 -22.180 -24.041 1.00 41.02 H new