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 65 GLN : amide:sc= 0.129 K(o=-0.71,f=-1.5) USER MOD Set 1.2: A 91 ASN : amide:sc= -0.834 K(o=-0.71,f=-1.5) USER MOD Set 2.1: A 49 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 50 HIS : no HD1:sc= -0.987 X(o=-1.2,f=-0.75) USER MOD Set 2.3: A 51 ASN : amide:sc= -0.173 K(o=-1.2,f=-3.3) USER MOD Set 3.1: A 34 SER OG : rot 94:sc= 0.262 USER MOD Set 3.2: A 38 ASN : amide:sc= -3.97! C(o=-3.7!,f=-9.4!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 25 SER OG : rot 180:sc= 0 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=-0.00548 K(o=-0.0055,f=-0.79) USER MOD Single : A 41 SER OG : rot -45:sc= 0.306 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= 1.82 (180deg=1.08) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS :FLIP no HE2:sc= -0.385 F(o=-0.98,f=-0.38) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 165:sc= 0.651 (180deg=0.259) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -1.56 F(o=-3.9!,f=-1.6) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN :FLIP amide:sc= -0.288 F(o=-1.1,f=-0.29) USER MOD Single : A 95 HIS : no HE2:sc= -3.61 K(o=-3.6,f=-7.6!) USER MOD ----------------------------------------------------------------- ATOM 233 N ALA A 17 30.109 -22.854 -13.687 1.00 12.42 N ATOM 234 CA ALA A 17 29.969 -22.681 -15.128 1.00 42.35 C ATOM 235 C ALA A 17 29.957 -21.204 -15.505 1.00 62.44 C ATOM 236 O ALA A 17 29.377 -20.378 -14.801 1.00 42.53 O ATOM 237 CB ALA A 17 28.702 -23.364 -15.620 1.00 33.33 C ATOM 0 HA ALA A 17 30.830 -23.145 -15.610 1.00 42.35 H new ATOM 0 HB1 ALA A 17 28.610 -23.227 -16.697 1.00 33.33 H new ATOM 0 HB2 ALA A 17 28.751 -24.429 -15.392 1.00 33.33 H new ATOM 0 HB3 ALA A 17 27.836 -22.926 -15.123 1.00 33.33 H new ATOM 243 N ARG A 18 30.602 -20.878 -16.620 1.00 70.43 N ATOM 244 CA ARG A 18 30.666 -19.499 -17.090 1.00 32.44 C ATOM 245 C ARG A 18 29.350 -19.083 -17.739 1.00 34.41 C ATOM 246 O ARG A 18 28.550 -19.916 -18.168 1.00 12.32 O ATOM 247 CB ARG A 18 31.815 -19.331 -18.087 1.00 12.31 C ATOM 248 CG ARG A 18 33.027 -18.622 -17.505 1.00 64.34 C ATOM 249 CD ARG A 18 34.035 -18.264 -18.586 1.00 1.20 C ATOM 250 NE ARG A 18 34.280 -16.826 -18.650 1.00 31.54 N ATOM 251 CZ ARG A 18 35.015 -16.165 -17.764 1.00 74.52 C ATOM 252 NH1 ARG A 18 35.576 -16.810 -16.750 1.00 5.14 N1+ ATOM 253 NH2 ARG A 18 35.192 -14.856 -17.890 1.00 25.53 N ATOM 0 H ARG A 18 31.088 -21.549 -17.215 1.00 70.43 H new ATOM 0 HA ARG A 18 30.844 -18.856 -16.228 1.00 32.44 H new ATOM 0 HB2 ARG A 18 32.118 -20.314 -18.448 1.00 12.31 H new ATOM 0 HB3 ARG A 18 31.457 -18.771 -18.951 1.00 12.31 H new ATOM 0 HG2 ARG A 18 32.707 -17.716 -16.990 1.00 64.34 H new ATOM 0 HG3 ARG A 18 33.502 -19.262 -16.761 1.00 64.34 H new ATOM 0 HD2 ARG A 18 34.974 -18.784 -18.393 1.00 1.20 H new ATOM 0 HD3 ARG A 18 33.670 -18.613 -19.552 1.00 1.20 H new ATOM 0 HE ARG A 18 33.863 -16.300 -19.418 1.00 31.54 H new ATOM 0 HH11 ARG A 18 35.443 -17.816 -16.650 1.00 5.14 H new ATOM 0 HH12 ARG A 18 36.140 -16.300 -16.071 1.00 5.14 H new ATOM 0 HH21 ARG A 18 34.763 -14.356 -18.669 1.00 25.53 H new ATOM 0 HH22 ARG A 18 35.757 -14.350 -17.208 1.00 25.53 H new ATOM 267 N PRO A 19 29.117 -17.765 -17.816 1.00 3.15 N ATOM 268 CA PRO A 19 27.899 -17.208 -18.411 1.00 23.40 C ATOM 269 C PRO A 19 27.852 -17.402 -19.923 1.00 70.32 C ATOM 270 O PRO A 19 28.875 -17.658 -20.560 1.00 5.33 O ATOM 271 CB PRO A 19 27.982 -15.720 -18.066 1.00 44.10 C ATOM 272 CG PRO A 19 29.438 -15.452 -17.893 1.00 71.22 C ATOM 273 CD PRO A 19 30.026 -16.714 -17.326 1.00 71.44 C ATOM 0 HA PRO A 19 27.001 -17.697 -18.033 1.00 23.40 H new ATOM 0 HB2 PRO A 19 27.558 -15.105 -18.860 1.00 44.10 H new ATOM 0 HB3 PRO A 19 27.427 -15.493 -17.156 1.00 44.10 H new ATOM 0 HG2 PRO A 19 29.904 -15.198 -18.845 1.00 71.22 H new ATOM 0 HG3 PRO A 19 29.603 -14.609 -17.222 1.00 71.22 H new ATOM 0 HD2 PRO A 19 31.047 -16.872 -17.673 1.00 71.44 H new ATOM 0 HD3 PRO A 19 30.060 -16.688 -16.237 1.00 71.44 H new ATOM 281 N THR A 20 26.658 -17.280 -20.494 1.00 62.41 N ATOM 282 CA THR A 20 26.478 -17.443 -21.931 1.00 11.43 C ATOM 283 C THR A 20 26.574 -16.104 -22.653 1.00 21.11 C ATOM 284 O THR A 20 26.347 -15.049 -22.059 1.00 33.42 O ATOM 285 CB THR A 20 25.119 -18.092 -22.257 1.00 72.41 C ATOM 286 OG1 THR A 20 25.092 -18.509 -23.627 1.00 51.10 O ATOM 287 CG2 THR A 20 23.978 -17.121 -21.995 1.00 52.22 C ATOM 0 H THR A 20 25.801 -17.069 -19.983 1.00 62.41 H new ATOM 0 HA THR A 20 27.278 -18.098 -22.277 1.00 11.43 H new ATOM 0 HB THR A 20 24.991 -18.960 -21.610 1.00 72.41 H new ATOM 0 HG1 THR A 20 24.226 -18.922 -23.826 1.00 51.10 H new ATOM 0 HG21 THR A 20 23.029 -17.602 -22.232 1.00 52.22 H new ATOM 0 HG22 THR A 20 23.984 -16.828 -20.945 1.00 52.22 H new ATOM 0 HG23 THR A 20 24.103 -16.236 -22.619 1.00 52.22 H new ATOM 295 N VAL A 21 26.910 -16.151 -23.938 1.00 64.42 N ATOM 296 CA VAL A 21 27.035 -14.941 -24.742 1.00 34.44 C ATOM 297 C VAL A 21 25.858 -14.794 -25.699 1.00 4.33 C ATOM 298 O VAL A 21 25.826 -15.420 -26.759 1.00 53.11 O ATOM 299 CB VAL A 21 28.345 -14.937 -25.551 1.00 74.51 C ATOM 300 CG1 VAL A 21 28.442 -13.682 -26.404 1.00 1.42 C ATOM 301 CG2 VAL A 21 29.545 -15.055 -24.623 1.00 42.33 C ATOM 0 H VAL A 21 27.101 -17.015 -24.445 1.00 64.42 H new ATOM 0 HA VAL A 21 27.043 -14.100 -24.049 1.00 34.44 H new ATOM 0 HB VAL A 21 28.343 -15.800 -26.216 1.00 74.51 H new ATOM 0 HG11 VAL A 21 29.374 -13.697 -26.968 1.00 1.42 H new ATOM 0 HG12 VAL A 21 27.600 -13.646 -27.095 1.00 1.42 H new ATOM 0 HG13 VAL A 21 28.421 -12.802 -25.761 1.00 1.42 H new ATOM 0 HG21 VAL A 21 30.462 -15.051 -25.212 1.00 42.33 H new ATOM 0 HG22 VAL A 21 29.554 -14.213 -23.931 1.00 42.33 H new ATOM 0 HG23 VAL A 21 29.480 -15.986 -24.060 1.00 42.33 H new ATOM 311 N ILE A 22 24.894 -13.962 -25.319 1.00 22.23 N ATOM 312 CA ILE A 22 23.716 -13.732 -26.146 1.00 2.23 C ATOM 313 C ILE A 22 23.455 -12.241 -26.328 1.00 11.25 C ATOM 314 O ILE A 22 23.589 -11.458 -25.387 1.00 71.43 O ATOM 315 CB ILE A 22 22.463 -14.390 -25.536 1.00 43.10 C ATOM 316 CG1 ILE A 22 22.357 -15.849 -25.985 1.00 14.22 C ATOM 317 CG2 ILE A 22 21.214 -13.616 -25.930 1.00 73.20 C ATOM 318 CD1 ILE A 22 22.904 -16.833 -24.974 1.00 75.24 C ATOM 0 H ILE A 22 24.906 -13.437 -24.445 1.00 22.23 H new ATOM 0 HA ILE A 22 23.919 -14.184 -27.117 1.00 2.23 H new ATOM 0 HB ILE A 22 22.551 -14.370 -24.450 1.00 43.10 H new ATOM 0 HG12 ILE A 22 21.311 -16.085 -26.181 1.00 14.22 H new ATOM 0 HG13 ILE A 22 22.893 -15.971 -26.926 1.00 14.22 H new ATOM 0 HG21 ILE A 22 20.337 -14.093 -25.492 1.00 73.20 H new ATOM 0 HG22 ILE A 22 21.291 -12.592 -25.565 1.00 73.20 H new ATOM 0 HG23 ILE A 22 21.118 -13.608 -27.016 1.00 73.20 H new ATOM 0 HD11 ILE A 22 22.796 -17.847 -25.358 1.00 75.24 H new ATOM 0 HD12 ILE A 22 23.958 -16.623 -24.795 1.00 75.24 H new ATOM 0 HD13 ILE A 22 22.352 -16.739 -24.039 1.00 75.24 H new ATOM 330 N ARG A 23 23.082 -11.855 -27.543 1.00 22.13 N ATOM 331 CA ARG A 23 22.801 -10.457 -27.849 1.00 2.21 C ATOM 332 C ARG A 23 21.809 -10.341 -29.003 1.00 24.52 C ATOM 333 O ARG A 23 22.156 -10.582 -30.159 1.00 2.42 O ATOM 334 CB ARG A 23 24.095 -9.720 -28.200 1.00 42.34 C ATOM 335 CG ARG A 23 24.909 -10.401 -29.288 1.00 24.01 C ATOM 336 CD ARG A 23 26.331 -9.867 -29.338 1.00 73.43 C ATOM 337 NE ARG A 23 26.419 -8.615 -30.088 1.00 13.23 N ATOM 338 CZ ARG A 23 27.565 -8.082 -30.495 1.00 71.22 C ATOM 339 NH1 ARG A 23 28.714 -8.687 -30.227 1.00 41.22 N1+ ATOM 340 NH2 ARG A 23 27.563 -6.941 -31.172 1.00 52.22 N ATOM 0 H ARG A 23 22.967 -12.491 -28.332 1.00 22.13 H new ATOM 0 HA ARG A 23 22.358 -10.000 -26.964 1.00 2.21 H new ATOM 0 HB2 ARG A 23 23.851 -8.707 -28.521 1.00 42.34 H new ATOM 0 HB3 ARG A 23 24.707 -9.631 -27.302 1.00 42.34 H new ATOM 0 HG2 ARG A 23 24.929 -11.476 -29.109 1.00 24.01 H new ATOM 0 HG3 ARG A 23 24.428 -10.247 -30.254 1.00 24.01 H new ATOM 0 HD2 ARG A 23 26.695 -9.708 -28.323 1.00 73.43 H new ATOM 0 HD3 ARG A 23 26.982 -10.611 -29.797 1.00 73.43 H new ATOM 0 HE ARG A 23 25.553 -8.124 -30.311 1.00 13.23 H new ATOM 0 HH11 ARG A 23 28.719 -9.564 -29.707 1.00 41.22 H new ATOM 0 HH12 ARG A 23 29.593 -8.275 -30.541 1.00 41.22 H new ATOM 0 HH21 ARG A 23 26.681 -6.473 -31.380 1.00 52.22 H new ATOM 0 HH22 ARG A 23 28.444 -6.532 -31.484 1.00 52.22 H new ATOM 354 N TRP A 24 20.575 -9.973 -28.680 1.00 71.11 N ATOM 355 CA TRP A 24 19.533 -9.826 -29.689 1.00 14.11 C ATOM 356 C TRP A 24 19.054 -8.380 -29.771 1.00 74.11 C ATOM 357 O TRP A 24 18.765 -7.753 -28.751 1.00 40.02 O ATOM 358 CB TRP A 24 18.355 -10.748 -29.372 1.00 23.53 C ATOM 359 CG TRP A 24 17.159 -10.506 -30.245 1.00 21.02 C ATOM 360 CD1 TRP A 24 16.098 -9.690 -29.972 1.00 70.23 C ATOM 361 CD2 TRP A 24 16.904 -11.086 -31.529 1.00 12.13 C ATOM 362 NE1 TRP A 24 15.198 -9.729 -31.010 1.00 1.03 N ATOM 363 CE2 TRP A 24 15.670 -10.576 -31.978 1.00 63.20 C ATOM 364 CE3 TRP A 24 17.599 -11.984 -32.343 1.00 55.20 C ATOM 365 CZ2 TRP A 24 15.117 -10.937 -33.203 1.00 23.31 C ATOM 366 CZ3 TRP A 24 17.049 -12.341 -33.560 1.00 13.34 C ATOM 367 CH2 TRP A 24 15.819 -11.818 -33.981 1.00 42.54 C ATOM 0 H TRP A 24 20.271 -9.771 -27.727 1.00 71.11 H new ATOM 0 HA TRP A 24 19.955 -10.105 -30.655 1.00 14.11 H new ATOM 0 HB2 TRP A 24 18.674 -11.784 -29.484 1.00 23.53 H new ATOM 0 HB3 TRP A 24 18.068 -10.613 -28.329 1.00 23.53 H new ATOM 0 HD1 TRP A 24 15.983 -9.101 -29.074 1.00 70.23 H new ATOM 0 HE1 TRP A 24 14.320 -9.211 -31.053 1.00 1.03 H new ATOM 0 HE3 TRP A 24 18.548 -12.392 -32.027 1.00 55.20 H new ATOM 0 HZ2 TRP A 24 14.168 -10.537 -33.528 1.00 23.31 H new ATOM 0 HZ3 TRP A 24 17.577 -13.035 -34.197 1.00 13.34 H new ATOM 0 HH2 TRP A 24 15.417 -12.116 -34.938 1.00 42.54 H new ATOM 378 N SER A 25 18.974 -7.856 -30.990 1.00 14.13 N ATOM 379 CA SER A 25 18.534 -6.482 -31.204 1.00 42.24 C ATOM 380 C SER A 25 17.461 -6.419 -32.285 1.00 64.44 C ATOM 381 O SER A 25 17.740 -6.624 -33.465 1.00 51.21 O ATOM 382 CB SER A 25 19.721 -5.599 -31.594 1.00 73.05 C ATOM 383 OG SER A 25 20.906 -6.019 -30.941 1.00 65.11 O ATOM 0 H SER A 25 19.208 -8.362 -31.844 1.00 14.13 H new ATOM 0 HA SER A 25 18.108 -6.113 -30.271 1.00 42.24 H new ATOM 0 HB2 SER A 25 19.865 -5.634 -32.674 1.00 73.05 H new ATOM 0 HB3 SER A 25 19.507 -4.562 -31.335 1.00 73.05 H new ATOM 0 HG SER A 25 21.650 -5.440 -31.208 1.00 65.11 H new ATOM 389 N GLU A 26 16.230 -6.131 -31.872 1.00 53.54 N ATOM 390 CA GLU A 26 15.113 -6.040 -32.806 1.00 53.15 C ATOM 391 C GLU A 26 14.119 -4.969 -32.363 1.00 73.25 C ATOM 392 O GLU A 26 13.992 -3.924 -33.000 1.00 53.42 O ATOM 393 CB GLU A 26 14.405 -7.391 -32.921 1.00 25.03 C ATOM 394 CG GLU A 26 13.395 -7.454 -34.054 1.00 61.21 C ATOM 395 CD GLU A 26 12.520 -8.692 -33.987 1.00 62.40 C ATOM 396 OE1 GLU A 26 11.783 -8.845 -32.992 1.00 63.14 O1- ATOM 397 OE2 GLU A 26 12.573 -9.506 -34.933 1.00 31.44 O ATOM 0 H GLU A 26 15.981 -5.957 -30.898 1.00 53.54 H new ATOM 0 HA GLU A 26 15.510 -5.761 -33.782 1.00 53.15 H new ATOM 0 HB2 GLU A 26 15.152 -8.172 -33.067 1.00 25.03 H new ATOM 0 HB3 GLU A 26 13.898 -7.607 -31.981 1.00 25.03 H new ATOM 0 HG2 GLU A 26 12.764 -6.566 -34.023 1.00 61.21 H new ATOM 0 HG3 GLU A 26 13.923 -7.438 -35.008 1.00 61.21 H new ATOM 404 N GLY A 27 13.417 -5.238 -31.267 1.00 44.43 N ATOM 405 CA GLY A 27 12.444 -4.291 -30.757 1.00 31.34 C ATOM 406 C GLY A 27 11.079 -4.917 -30.548 1.00 63.32 C ATOM 407 O GLY A 27 10.055 -4.307 -30.852 1.00 61.55 O ATOM 0 H GLY A 27 13.505 -6.096 -30.723 1.00 44.43 H new ATOM 0 HA2 GLY A 27 12.801 -3.882 -29.812 1.00 31.34 H new ATOM 0 HA3 GLY A 27 12.355 -3.456 -31.452 1.00 31.34 H new ATOM 411 N GLY A 28 11.065 -6.140 -30.027 1.00 21.34 N ATOM 412 CA GLY A 28 9.811 -6.829 -29.788 1.00 62.33 C ATOM 413 C GLY A 28 9.211 -6.491 -28.437 1.00 50.05 C ATOM 414 O GLY A 28 9.551 -5.471 -27.836 1.00 23.31 O ATOM 0 H GLY A 28 11.899 -6.666 -29.766 1.00 21.34 H new ATOM 0 HA2 GLY A 28 9.101 -6.568 -30.573 1.00 62.33 H new ATOM 0 HA3 GLY A 28 9.974 -7.905 -29.851 1.00 62.33 H new ATOM 418 N LYS A 29 8.314 -7.346 -27.958 1.00 15.42 N ATOM 419 CA LYS A 29 7.665 -7.133 -26.670 1.00 45.44 C ATOM 420 C LYS A 29 8.350 -7.944 -25.575 1.00 12.10 C ATOM 421 O LYS A 29 8.539 -7.461 -24.460 1.00 63.53 O ATOM 422 CB LYS A 29 6.185 -7.515 -26.753 1.00 41.32 C ATOM 423 CG LYS A 29 5.361 -6.573 -27.614 1.00 72.44 C ATOM 424 CD LYS A 29 4.902 -5.358 -26.828 1.00 52.45 C ATOM 425 CE LYS A 29 3.582 -4.818 -27.356 1.00 71.52 C ATOM 426 NZ LYS A 29 3.730 -4.219 -28.711 1.00 53.32 N1+ ATOM 0 H LYS A 29 8.020 -8.194 -28.443 1.00 15.42 H new ATOM 0 HA LYS A 29 7.748 -6.075 -26.419 1.00 45.44 H new ATOM 0 HB2 LYS A 29 6.101 -8.526 -27.152 1.00 41.32 H new ATOM 0 HB3 LYS A 29 5.766 -7.534 -25.747 1.00 41.32 H new ATOM 0 HG2 LYS A 29 5.952 -6.251 -28.471 1.00 72.44 H new ATOM 0 HG3 LYS A 29 4.493 -7.103 -28.007 1.00 72.44 H new ATOM 0 HD2 LYS A 29 4.793 -5.624 -25.777 1.00 52.45 H new ATOM 0 HD3 LYS A 29 5.663 -4.579 -26.883 1.00 52.45 H new ATOM 0 HE2 LYS A 29 2.849 -5.624 -27.393 1.00 71.52 H new ATOM 0 HE3 LYS A 29 3.195 -4.067 -26.667 1.00 71.52 H new ATOM 0 HZ1 LYS A 29 2.808 -3.863 -29.036 1.00 53.32 H new ATOM 0 HZ2 LYS A 29 4.410 -3.434 -28.671 1.00 53.32 H new ATOM 0 HZ3 LYS A 29 4.075 -4.942 -29.374 1.00 53.32 H new ATOM 440 N GLU A 30 8.720 -9.178 -25.902 1.00 44.21 N ATOM 441 CA GLU A 30 9.385 -10.054 -24.945 1.00 11.54 C ATOM 442 C GLU A 30 10.300 -11.045 -25.659 1.00 2.32 C ATOM 443 O GLU A 30 9.907 -11.673 -26.643 1.00 51.51 O ATOM 444 CB GLU A 30 8.351 -10.811 -24.108 1.00 14.34 C ATOM 445 CG GLU A 30 7.333 -11.571 -24.941 1.00 21.41 C ATOM 446 CD GLU A 30 6.115 -11.986 -24.138 1.00 54.10 C ATOM 447 OE1 GLU A 30 5.682 -11.199 -23.270 1.00 2.20 O ATOM 448 OE2 GLU A 30 5.596 -13.096 -24.375 1.00 74.24 O1- ATOM 0 H GLU A 30 8.571 -9.593 -26.822 1.00 44.21 H new ATOM 0 HA GLU A 30 9.993 -9.434 -24.286 1.00 11.54 H new ATOM 0 HB2 GLU A 30 8.869 -11.512 -23.453 1.00 14.34 H new ATOM 0 HB3 GLU A 30 7.827 -10.103 -23.466 1.00 14.34 H new ATOM 0 HG2 GLU A 30 7.017 -10.949 -25.778 1.00 21.41 H new ATOM 0 HG3 GLU A 30 7.805 -12.458 -25.364 1.00 21.41 H new ATOM 455 N VAL A 31 11.523 -11.180 -25.156 1.00 1.21 N ATOM 456 CA VAL A 31 12.495 -12.095 -25.744 1.00 20.01 C ATOM 457 C VAL A 31 12.862 -13.208 -24.769 1.00 24.24 C ATOM 458 O VAL A 31 13.078 -12.962 -23.582 1.00 60.13 O ATOM 459 CB VAL A 31 13.777 -11.354 -26.167 1.00 74.23 C ATOM 460 CG1 VAL A 31 14.732 -12.303 -26.876 1.00 21.21 C ATOM 461 CG2 VAL A 31 13.438 -10.166 -27.054 1.00 53.33 C ATOM 0 H VAL A 31 11.864 -10.668 -24.343 1.00 1.21 H new ATOM 0 HA VAL A 31 12.027 -12.530 -26.627 1.00 20.01 H new ATOM 0 HB VAL A 31 14.272 -10.979 -25.271 1.00 74.23 H new ATOM 0 HG11 VAL A 31 15.632 -11.762 -27.168 1.00 21.21 H new ATOM 0 HG12 VAL A 31 15.000 -13.118 -26.204 1.00 21.21 H new ATOM 0 HG13 VAL A 31 14.249 -12.709 -27.765 1.00 21.21 H new ATOM 0 HG21 VAL A 31 14.356 -9.654 -27.343 1.00 53.33 H new ATOM 0 HG22 VAL A 31 12.920 -10.515 -27.947 1.00 53.33 H new ATOM 0 HG23 VAL A 31 12.795 -9.476 -26.508 1.00 53.33 H new ATOM 471 N PHE A 32 12.932 -14.434 -25.278 1.00 63.42 N ATOM 472 CA PHE A 32 13.273 -15.586 -24.453 1.00 64.12 C ATOM 473 C PHE A 32 14.259 -16.500 -25.174 1.00 21.54 C ATOM 474 O PHE A 32 14.254 -16.589 -26.403 1.00 42.43 O ATOM 475 CB PHE A 32 12.010 -16.369 -24.085 1.00 75.51 C ATOM 476 CG PHE A 32 11.091 -15.624 -23.160 1.00 43.43 C ATOM 477 CD1 PHE A 32 11.298 -15.649 -21.789 1.00 72.34 C ATOM 478 CD2 PHE A 32 10.021 -14.899 -23.659 1.00 62.05 C ATOM 479 CE1 PHE A 32 10.455 -14.964 -20.934 1.00 32.23 C ATOM 480 CE2 PHE A 32 9.175 -14.213 -22.808 1.00 3.23 C ATOM 481 CZ PHE A 32 9.392 -14.246 -21.445 1.00 24.12 C ATOM 0 H PHE A 32 12.757 -14.655 -26.258 1.00 63.42 H new ATOM 0 HA PHE A 32 13.745 -15.220 -23.541 1.00 64.12 H new ATOM 0 HB2 PHE A 32 11.469 -16.620 -24.997 1.00 75.51 H new ATOM 0 HB3 PHE A 32 12.299 -17.310 -23.617 1.00 75.51 H new ATOM 0 HD1 PHE A 32 12.127 -16.210 -21.385 1.00 72.34 H new ATOM 0 HD2 PHE A 32 9.846 -14.870 -24.724 1.00 62.05 H new ATOM 0 HE1 PHE A 32 10.628 -14.990 -19.868 1.00 32.23 H new ATOM 0 HE2 PHE A 32 8.344 -13.651 -23.209 1.00 3.23 H new ATOM 0 HZ PHE A 32 8.731 -13.711 -20.779 1.00 24.12 H new ATOM 491 N ILE A 33 15.104 -17.176 -24.403 1.00 13.35 N ATOM 492 CA ILE A 33 16.095 -18.082 -24.969 1.00 22.33 C ATOM 493 C ILE A 33 15.934 -19.492 -24.408 1.00 62.43 C ATOM 494 O ILE A 33 15.627 -19.671 -23.230 1.00 63.03 O ATOM 495 CB ILE A 33 17.529 -17.592 -24.691 1.00 13.21 C ATOM 496 CG1 ILE A 33 18.543 -18.481 -25.414 1.00 10.32 C ATOM 497 CG2 ILE A 33 17.803 -17.577 -23.194 1.00 22.30 C ATOM 498 CD1 ILE A 33 19.982 -18.144 -25.089 1.00 22.31 C ATOM 0 H ILE A 33 15.122 -17.113 -23.385 1.00 13.35 H new ATOM 0 HA ILE A 33 15.928 -18.100 -26.046 1.00 22.33 H new ATOM 0 HB ILE A 33 17.630 -16.575 -25.069 1.00 13.21 H new ATOM 0 HG12 ILE A 33 18.354 -19.522 -25.151 1.00 10.32 H new ATOM 0 HG13 ILE A 33 18.391 -18.391 -26.490 1.00 10.32 H new ATOM 0 HG21 ILE A 33 18.820 -17.229 -23.014 1.00 22.30 H new ATOM 0 HG22 ILE A 33 17.097 -16.908 -22.702 1.00 22.30 H new ATOM 0 HG23 ILE A 33 17.688 -18.584 -22.793 1.00 22.30 H new ATOM 0 HD11 ILE A 33 20.645 -18.814 -25.636 1.00 22.31 H new ATOM 0 HD12 ILE A 33 20.188 -17.113 -25.377 1.00 22.31 H new ATOM 0 HD13 ILE A 33 20.150 -18.262 -24.019 1.00 22.31 H new ATOM 510 N SER A 34 16.145 -20.489 -25.261 1.00 25.03 N ATOM 511 CA SER A 34 16.022 -21.884 -24.852 1.00 60.30 C ATOM 512 C SER A 34 16.968 -22.771 -25.654 1.00 10.42 C ATOM 513 O SER A 34 17.130 -22.593 -26.861 1.00 43.22 O ATOM 514 CB SER A 34 14.580 -22.363 -25.030 1.00 31.12 C ATOM 515 OG SER A 34 14.398 -23.652 -24.469 1.00 65.53 O ATOM 0 H SER A 34 16.402 -20.357 -26.239 1.00 25.03 H new ATOM 0 HA SER A 34 16.294 -21.954 -23.799 1.00 60.30 H new ATOM 0 HB2 SER A 34 13.898 -21.657 -24.556 1.00 31.12 H new ATOM 0 HB3 SER A 34 14.329 -22.386 -26.091 1.00 31.12 H new ATOM 0 HG SER A 34 14.074 -23.565 -23.548 1.00 65.53 H new ATOM 521 N GLY A 35 17.592 -23.728 -24.974 1.00 50.42 N ATOM 522 CA GLY A 35 18.515 -24.629 -25.637 1.00 51.10 C ATOM 523 C GLY A 35 18.550 -26.002 -24.995 1.00 32.54 C ATOM 524 O GLY A 35 17.680 -26.340 -24.192 1.00 42.30 O ATOM 0 H GLY A 35 17.474 -23.895 -23.975 1.00 50.42 H new ATOM 0 HA2 GLY A 35 18.231 -24.729 -26.685 1.00 51.10 H new ATOM 0 HA3 GLY A 35 19.516 -24.197 -25.618 1.00 51.10 H new ATOM 528 N SER A 36 19.556 -26.794 -25.348 1.00 50.42 N ATOM 529 CA SER A 36 19.698 -28.140 -24.804 1.00 60.21 C ATOM 530 C SER A 36 20.153 -28.091 -23.348 1.00 34.32 C ATOM 531 O SER A 36 20.016 -29.066 -22.610 1.00 45.21 O ATOM 532 CB SER A 36 20.696 -28.947 -25.636 1.00 64.21 C ATOM 533 OG SER A 36 21.929 -28.260 -25.761 1.00 43.11 O ATOM 0 H SER A 36 20.286 -26.527 -26.009 1.00 50.42 H new ATOM 0 HA SER A 36 18.724 -28.628 -24.846 1.00 60.21 H new ATOM 0 HB2 SER A 36 20.863 -29.918 -25.169 1.00 64.21 H new ATOM 0 HB3 SER A 36 20.280 -29.137 -26.625 1.00 64.21 H new ATOM 0 HG SER A 36 22.550 -28.797 -26.296 1.00 43.11 H new ATOM 539 N PHE A 37 20.696 -26.948 -22.943 1.00 5.12 N ATOM 540 CA PHE A 37 21.174 -26.771 -21.575 1.00 1.32 C ATOM 541 C PHE A 37 20.030 -26.920 -20.576 1.00 52.10 C ATOM 542 O PHE A 37 20.256 -27.135 -19.387 1.00 24.42 O ATOM 543 CB PHE A 37 21.830 -25.398 -21.416 1.00 52.43 C ATOM 544 CG PHE A 37 20.945 -24.258 -21.834 1.00 52.44 C ATOM 545 CD1 PHE A 37 20.013 -23.729 -20.955 1.00 12.31 C ATOM 546 CD2 PHE A 37 21.044 -23.717 -23.106 1.00 64.24 C ATOM 547 CE1 PHE A 37 19.198 -22.681 -21.338 1.00 24.25 C ATOM 548 CE2 PHE A 37 20.231 -22.669 -23.493 1.00 64.25 C ATOM 549 CZ PHE A 37 19.308 -22.149 -22.608 1.00 63.21 C ATOM 0 H PHE A 37 20.816 -26.131 -23.541 1.00 5.12 H new ATOM 0 HA PHE A 37 21.914 -27.545 -21.371 1.00 1.32 H new ATOM 0 HB2 PHE A 37 22.118 -25.260 -20.374 1.00 52.43 H new ATOM 0 HB3 PHE A 37 22.746 -25.371 -22.006 1.00 52.43 H new ATOM 0 HD1 PHE A 37 19.923 -24.140 -19.960 1.00 12.31 H new ATOM 0 HD2 PHE A 37 21.765 -24.119 -23.803 1.00 64.24 H new ATOM 0 HE1 PHE A 37 18.475 -22.278 -20.644 1.00 24.25 H new ATOM 0 HE2 PHE A 37 20.318 -22.257 -24.487 1.00 64.25 H new ATOM 0 HZ PHE A 37 18.673 -21.328 -22.908 1.00 63.21 H new ATOM 559 N ASN A 38 18.802 -26.805 -21.071 1.00 73.11 N ATOM 560 CA ASN A 38 17.622 -26.926 -20.222 1.00 10.42 C ATOM 561 C ASN A 38 16.643 -27.947 -20.793 1.00 21.43 C ATOM 562 O ASN A 38 15.491 -28.022 -20.369 1.00 31.21 O ATOM 563 CB ASN A 38 16.932 -25.568 -20.077 1.00 72.03 C ATOM 564 CG ASN A 38 15.993 -25.271 -21.230 1.00 64.24 C ATOM 565 OD1 ASN A 38 14.825 -25.658 -21.211 1.00 35.42 O ATOM 566 ND2 ASN A 38 16.502 -24.578 -22.243 1.00 44.21 N ATOM 0 H ASN A 38 18.598 -26.628 -22.055 1.00 73.11 H new ATOM 0 HA ASN A 38 17.946 -27.269 -19.239 1.00 10.42 H new ATOM 0 HB2 ASN A 38 16.373 -25.546 -19.142 1.00 72.03 H new ATOM 0 HB3 ASN A 38 17.687 -24.784 -20.016 1.00 72.03 H new ATOM 0 HD21 ASN A 38 15.918 -24.347 -23.047 1.00 44.21 H new ATOM 0 HD22 ASN A 38 17.476 -24.277 -22.217 1.00 44.21 H new ATOM 573 N ASN A 39 17.113 -28.733 -21.756 1.00 32.24 N ATOM 574 CA ASN A 39 16.280 -29.752 -22.386 1.00 20.50 C ATOM 575 C ASN A 39 15.102 -29.115 -23.118 1.00 23.03 C ATOM 576 O ASN A 39 14.096 -29.772 -23.386 1.00 14.24 O ATOM 577 CB ASN A 39 15.767 -30.740 -21.336 1.00 75.11 C ATOM 578 CG ASN A 39 15.521 -32.121 -21.915 1.00 4.44 C ATOM 579 OD1 ASN A 39 15.281 -32.271 -23.113 1.00 63.34 O ATOM 580 ND2 ASN A 39 15.582 -33.139 -21.063 1.00 64.12 N ATOM 0 H ASN A 39 18.066 -28.684 -22.117 1.00 32.24 H new ATOM 0 HA ASN A 39 16.891 -30.287 -23.113 1.00 20.50 H new ATOM 0 HB2 ASN A 39 16.491 -30.813 -20.525 1.00 75.11 H new ATOM 0 HB3 ASN A 39 14.841 -30.360 -20.904 1.00 75.11 H new ATOM 0 HD21 ASN A 39 15.427 -34.091 -21.394 1.00 64.12 H new ATOM 0 HD22 ASN A 39 15.784 -32.968 -20.078 1.00 64.12 H new ATOM 587 N TRP A 40 15.237 -27.834 -23.440 1.00 1.42 N ATOM 588 CA TRP A 40 14.184 -27.108 -24.142 1.00 70.44 C ATOM 589 C TRP A 40 12.843 -27.274 -23.436 1.00 14.41 C ATOM 590 O TRP A 40 11.792 -27.302 -24.076 1.00 75.11 O ATOM 591 CB TRP A 40 14.076 -27.597 -25.588 1.00 13.40 C ATOM 592 CG TRP A 40 15.390 -27.611 -26.309 1.00 42.11 C ATOM 593 CD1 TRP A 40 16.399 -28.520 -26.157 1.00 21.54 C ATOM 594 CD2 TRP A 40 15.836 -26.673 -27.294 1.00 5.34 C ATOM 595 NE1 TRP A 40 17.445 -28.202 -26.989 1.00 63.33 N ATOM 596 CE2 TRP A 40 17.125 -27.074 -27.697 1.00 3.45 C ATOM 597 CE3 TRP A 40 15.273 -25.535 -27.876 1.00 11.54 C ATOM 598 CZ2 TRP A 40 17.857 -26.375 -28.654 1.00 62.33 C ATOM 599 CZ3 TRP A 40 16.000 -24.842 -28.825 1.00 53.04 C ATOM 600 CH2 TRP A 40 17.281 -25.265 -29.207 1.00 62.54 C ATOM 0 H TRP A 40 16.064 -27.277 -23.227 1.00 1.42 H new ATOM 0 HA TRP A 40 14.445 -26.050 -24.141 1.00 70.44 H new ATOM 0 HB2 TRP A 40 13.656 -28.603 -25.594 1.00 13.40 H new ATOM 0 HB3 TRP A 40 13.379 -26.957 -26.129 1.00 13.40 H new ATOM 0 HD1 TRP A 40 16.377 -29.363 -25.483 1.00 21.54 H new ATOM 0 HE1 TRP A 40 18.319 -28.722 -27.067 1.00 63.33 H new ATOM 0 HE3 TRP A 40 14.286 -25.202 -27.589 1.00 11.54 H new ATOM 0 HZ2 TRP A 40 18.844 -26.698 -28.949 1.00 62.33 H new ATOM 0 HZ3 TRP A 40 15.574 -23.960 -29.280 1.00 53.04 H new ATOM 0 HH2 TRP A 40 17.824 -24.703 -29.953 1.00 62.54 H new ATOM 611 N SER A 41 12.887 -27.383 -22.111 1.00 25.55 N ATOM 612 CA SER A 41 11.675 -27.550 -21.318 1.00 24.31 C ATOM 613 C SER A 41 11.377 -26.290 -20.510 1.00 73.12 C ATOM 614 O SER A 41 10.568 -26.310 -19.582 1.00 72.53 O ATOM 615 CB SER A 41 11.815 -28.750 -20.380 1.00 23.43 C ATOM 616 OG SER A 41 10.556 -29.139 -19.858 1.00 55.35 O ATOM 0 H SER A 41 13.748 -27.359 -21.565 1.00 25.55 H new ATOM 0 HA SER A 41 10.845 -27.728 -22.001 1.00 24.31 H new ATOM 0 HB2 SER A 41 12.263 -29.586 -20.918 1.00 23.43 H new ATOM 0 HB3 SER A 41 12.490 -28.499 -19.562 1.00 23.43 H new ATOM 0 HG SER A 41 10.060 -28.343 -19.574 1.00 55.35 H new ATOM 622 N THR A 42 12.038 -25.193 -20.869 1.00 74.23 N ATOM 623 CA THR A 42 11.846 -23.925 -20.179 1.00 14.13 C ATOM 624 C THR A 42 12.444 -22.770 -20.974 1.00 20.24 C ATOM 625 O THR A 42 13.454 -22.932 -21.660 1.00 53.41 O ATOM 626 CB THR A 42 12.478 -23.948 -18.775 1.00 54.43 C ATOM 627 OG1 THR A 42 12.235 -22.706 -18.106 1.00 52.32 O ATOM 628 CG2 THR A 42 13.976 -24.200 -18.860 1.00 23.45 C ATOM 0 H THR A 42 12.711 -25.159 -21.634 1.00 74.23 H new ATOM 0 HA THR A 42 10.770 -23.778 -20.083 1.00 14.13 H new ATOM 0 HB THR A 42 12.020 -24.759 -18.209 1.00 54.43 H new ATOM 0 HG1 THR A 42 12.639 -22.731 -17.214 1.00 52.32 H new ATOM 0 HG21 THR A 42 14.400 -24.212 -17.856 1.00 23.45 H new ATOM 0 HG22 THR A 42 14.157 -25.161 -19.342 1.00 23.45 H new ATOM 0 HG23 THR A 42 14.446 -23.408 -19.443 1.00 23.45 H new ATOM 636 N LYS A 43 11.818 -21.602 -20.876 1.00 1.11 N ATOM 637 CA LYS A 43 12.290 -20.419 -21.585 1.00 64.11 C ATOM 638 C LYS A 43 12.988 -19.456 -20.630 1.00 3.12 C ATOM 639 O LYS A 43 12.383 -18.964 -19.677 1.00 72.24 O ATOM 640 CB LYS A 43 11.120 -19.712 -22.273 1.00 65.14 C ATOM 641 CG LYS A 43 10.745 -20.321 -23.613 1.00 42.20 C ATOM 642 CD LYS A 43 10.211 -19.271 -24.573 1.00 2.13 C ATOM 643 CE LYS A 43 9.163 -19.853 -25.509 1.00 63.12 C ATOM 644 NZ LYS A 43 7.872 -19.114 -25.423 1.00 4.54 N1+ ATOM 0 H LYS A 43 10.982 -21.450 -20.312 1.00 1.11 H new ATOM 0 HA LYS A 43 13.008 -20.740 -22.340 1.00 64.11 H new ATOM 0 HB2 LYS A 43 10.252 -19.740 -21.615 1.00 65.14 H new ATOM 0 HB3 LYS A 43 11.376 -18.663 -22.419 1.00 65.14 H new ATOM 0 HG2 LYS A 43 11.618 -20.805 -24.051 1.00 42.20 H new ATOM 0 HG3 LYS A 43 9.992 -21.095 -23.464 1.00 42.20 H new ATOM 0 HD2 LYS A 43 9.777 -18.446 -24.007 1.00 2.13 H new ATOM 0 HD3 LYS A 43 11.034 -18.859 -25.157 1.00 2.13 H new ATOM 0 HE2 LYS A 43 9.533 -19.820 -26.534 1.00 63.12 H new ATOM 0 HE3 LYS A 43 8.998 -20.902 -25.263 1.00 63.12 H new ATOM 0 HZ1 LYS A 43 7.105 -19.711 -25.792 1.00 4.54 H new ATOM 0 HZ2 LYS A 43 7.676 -18.872 -24.431 1.00 4.54 H new ATOM 0 HZ3 LYS A 43 7.933 -18.242 -25.986 1.00 4.54 H new ATOM 658 N ILE A 44 14.264 -19.190 -20.893 1.00 22.14 N ATOM 659 CA ILE A 44 15.042 -18.285 -20.058 1.00 54.22 C ATOM 660 C ILE A 44 14.801 -16.831 -20.450 1.00 22.01 C ATOM 661 O ILE A 44 14.834 -16.465 -21.625 1.00 31.33 O ATOM 662 CB ILE A 44 16.550 -18.586 -20.153 1.00 4.25 C ATOM 663 CG1 ILE A 44 16.914 -19.765 -19.249 1.00 44.15 C ATOM 664 CG2 ILE A 44 17.361 -17.355 -19.781 1.00 14.54 C ATOM 665 CD1 ILE A 44 16.332 -21.083 -19.710 1.00 62.32 C ATOM 0 H ILE A 44 14.780 -19.589 -21.678 1.00 22.14 H new ATOM 0 HA ILE A 44 14.712 -18.442 -19.031 1.00 54.22 H new ATOM 0 HB ILE A 44 16.788 -18.855 -21.182 1.00 4.25 H new ATOM 0 HG12 ILE A 44 17.999 -19.854 -19.201 1.00 44.15 H new ATOM 0 HG13 ILE A 44 16.566 -19.557 -18.237 1.00 44.15 H new ATOM 0 HG21 ILE A 44 18.424 -17.584 -19.853 1.00 14.54 H new ATOM 0 HG22 ILE A 44 17.118 -16.540 -20.463 1.00 14.54 H new ATOM 0 HG23 ILE A 44 17.123 -17.057 -18.760 1.00 14.54 H new ATOM 0 HD11 ILE A 44 16.631 -21.873 -19.022 1.00 62.32 H new ATOM 0 HD12 ILE A 44 15.244 -21.013 -19.731 1.00 62.32 H new ATOM 0 HD13 ILE A 44 16.700 -21.314 -20.710 1.00 62.32 H new ATOM 677 N PRO A 45 14.551 -15.981 -19.444 1.00 72.14 N ATOM 678 CA PRO A 45 14.301 -14.551 -19.658 1.00 74.30 C ATOM 679 C PRO A 45 15.552 -13.806 -20.109 1.00 3.41 C ATOM 680 O PRO A 45 16.649 -14.050 -19.605 1.00 31.12 O ATOM 681 CB PRO A 45 13.852 -14.060 -18.279 1.00 2.44 C ATOM 682 CG PRO A 45 14.466 -15.017 -17.318 1.00 44.21 C ATOM 683 CD PRO A 45 14.495 -16.347 -18.019 1.00 20.33 C ATOM 0 HA PRO A 45 13.568 -14.378 -20.446 1.00 74.30 H new ATOM 0 HB2 PRO A 45 14.189 -13.040 -18.093 1.00 2.44 H new ATOM 0 HB3 PRO A 45 12.765 -14.057 -18.195 1.00 2.44 H new ATOM 0 HG2 PRO A 45 15.471 -14.700 -17.040 1.00 44.21 H new ATOM 0 HG3 PRO A 45 13.884 -15.073 -16.398 1.00 44.21 H new ATOM 0 HD2 PRO A 45 15.361 -16.939 -17.722 1.00 20.33 H new ATOM 0 HD3 PRO A 45 13.610 -16.941 -17.791 1.00 20.33 H new ATOM 691 N LEU A 46 15.381 -12.894 -21.059 1.00 64.14 N ATOM 692 CA LEU A 46 16.496 -12.111 -21.579 1.00 65.52 C ATOM 693 C LEU A 46 16.561 -10.742 -20.907 1.00 32.13 C ATOM 694 O LEU A 46 15.691 -9.897 -21.116 1.00 65.14 O ATOM 695 CB LEU A 46 16.365 -11.942 -23.094 1.00 61.33 C ATOM 696 CG LEU A 46 17.381 -12.707 -23.944 1.00 32.01 C ATOM 697 CD1 LEU A 46 16.926 -14.141 -24.157 1.00 34.30 C ATOM 698 CD2 LEU A 46 17.590 -12.008 -25.280 1.00 72.32 C ATOM 0 H LEU A 46 14.480 -12.678 -21.485 1.00 64.14 H new ATOM 0 HA LEU A 46 17.418 -12.648 -21.358 1.00 65.52 H new ATOM 0 HB2 LEU A 46 15.364 -12.256 -23.390 1.00 61.33 H new ATOM 0 HB3 LEU A 46 16.449 -10.881 -23.330 1.00 61.33 H new ATOM 0 HG LEU A 46 18.332 -12.725 -23.412 1.00 32.01 H new ATOM 0 HD11 LEU A 46 17.661 -14.670 -24.764 1.00 34.30 H new ATOM 0 HD12 LEU A 46 16.827 -14.638 -23.192 1.00 34.30 H new ATOM 0 HD13 LEU A 46 15.963 -14.145 -24.668 1.00 34.30 H new ATOM 0 HD21 LEU A 46 18.316 -12.565 -25.873 1.00 72.32 H new ATOM 0 HD22 LEU A 46 16.643 -11.960 -25.818 1.00 72.32 H new ATOM 0 HD23 LEU A 46 17.961 -10.998 -25.108 1.00 72.32 H new ATOM 710 N ILE A 47 17.597 -10.533 -20.102 1.00 14.12 N ATOM 711 CA ILE A 47 17.775 -9.266 -19.403 1.00 74.30 C ATOM 712 C ILE A 47 17.681 -8.089 -20.366 1.00 14.44 C ATOM 713 O ILE A 47 18.533 -7.914 -21.237 1.00 31.41 O ATOM 714 CB ILE A 47 19.131 -9.213 -18.675 1.00 0.44 C ATOM 715 CG1 ILE A 47 19.021 -9.864 -17.295 1.00 30.24 C ATOM 716 CG2 ILE A 47 19.608 -7.773 -18.549 1.00 33.01 C ATOM 717 CD1 ILE A 47 18.456 -11.267 -17.334 1.00 44.14 C ATOM 0 H ILE A 47 18.325 -11.223 -19.918 1.00 14.12 H new ATOM 0 HA ILE A 47 16.973 -9.194 -18.668 1.00 74.30 H new ATOM 0 HB ILE A 47 19.862 -9.769 -19.261 1.00 0.44 H new ATOM 0 HG12 ILE A 47 20.009 -9.891 -16.835 1.00 30.24 H new ATOM 0 HG13 ILE A 47 18.390 -9.244 -16.659 1.00 30.24 H new ATOM 0 HG21 ILE A 47 20.568 -7.751 -18.032 1.00 33.01 H new ATOM 0 HG22 ILE A 47 19.721 -7.339 -19.542 1.00 33.01 H new ATOM 0 HG23 ILE A 47 18.878 -7.196 -17.982 1.00 33.01 H new ATOM 0 HD11 ILE A 47 18.406 -11.667 -16.321 1.00 44.14 H new ATOM 0 HD12 ILE A 47 17.455 -11.244 -17.765 1.00 44.14 H new ATOM 0 HD13 ILE A 47 19.099 -11.901 -17.944 1.00 44.14 H new ATOM 729 N LYS A 48 16.638 -7.281 -20.203 1.00 15.21 N ATOM 730 CA LYS A 48 16.432 -6.116 -21.055 1.00 3.13 C ATOM 731 C LYS A 48 17.411 -5.001 -20.700 1.00 43.44 C ATOM 732 O LYS A 48 17.372 -4.457 -19.596 1.00 42.12 O ATOM 733 CB LYS A 48 14.994 -5.608 -20.921 1.00 15.03 C ATOM 734 CG LYS A 48 14.320 -5.332 -22.254 1.00 21.42 C ATOM 735 CD LYS A 48 12.819 -5.559 -22.178 1.00 24.00 C ATOM 736 CE LYS A 48 12.487 -7.031 -21.987 1.00 64.10 C ATOM 737 NZ LYS A 48 11.582 -7.249 -20.825 1.00 1.32 N1+ ATOM 0 H LYS A 48 15.922 -7.412 -19.488 1.00 15.21 H new ATOM 0 HA LYS A 48 16.610 -6.417 -22.087 1.00 3.13 H new ATOM 0 HB2 LYS A 48 14.407 -6.344 -20.372 1.00 15.03 H new ATOM 0 HB3 LYS A 48 14.994 -4.694 -20.327 1.00 15.03 H new ATOM 0 HG2 LYS A 48 14.518 -4.304 -22.557 1.00 21.42 H new ATOM 0 HG3 LYS A 48 14.748 -5.978 -23.020 1.00 21.42 H new ATOM 0 HD2 LYS A 48 12.404 -4.981 -21.352 1.00 24.00 H new ATOM 0 HD3 LYS A 48 12.348 -5.194 -23.091 1.00 24.00 H new ATOM 0 HE2 LYS A 48 12.017 -7.418 -22.891 1.00 64.10 H new ATOM 0 HE3 LYS A 48 13.408 -7.595 -21.841 1.00 64.10 H new ATOM 0 HZ1 LYS A 48 11.380 -8.265 -20.728 1.00 1.32 H new ATOM 0 HZ2 LYS A 48 12.041 -6.903 -19.958 1.00 1.32 H new ATOM 0 HZ3 LYS A 48 10.693 -6.732 -20.976 1.00 1.32 H new ATOM 751 N SER A 49 18.286 -4.666 -21.643 1.00 43.44 N ATOM 752 CA SER A 49 19.277 -3.617 -21.427 1.00 72.14 C ATOM 753 C SER A 49 18.958 -2.387 -22.272 1.00 60.13 C ATOM 754 O SER A 49 18.272 -2.480 -23.290 1.00 5.42 O ATOM 755 CB SER A 49 20.677 -4.132 -21.765 1.00 41.12 C ATOM 756 OG SER A 49 21.669 -3.420 -21.048 1.00 21.32 O ATOM 0 H SER A 49 18.329 -5.105 -22.563 1.00 43.44 H new ATOM 0 HA SER A 49 19.246 -3.333 -20.375 1.00 72.14 H new ATOM 0 HB2 SER A 49 20.744 -5.194 -21.528 1.00 41.12 H new ATOM 0 HB3 SER A 49 20.856 -4.032 -22.836 1.00 41.12 H new ATOM 0 HG SER A 49 22.555 -3.769 -21.281 1.00 21.32 H new ATOM 762 N HIS A 50 19.460 -1.235 -21.841 1.00 41.43 N ATOM 763 CA HIS A 50 19.230 0.015 -22.556 1.00 30.33 C ATOM 764 C HIS A 50 19.710 -0.089 -24.001 1.00 5.15 C ATOM 765 O HIS A 50 19.218 0.615 -24.881 1.00 32.14 O ATOM 766 CB HIS A 50 19.943 1.170 -21.852 1.00 41.03 C ATOM 767 CG HIS A 50 21.436 1.072 -21.906 1.00 40.43 C ATOM 768 ND1 HIS A 50 22.255 2.167 -22.093 1.00 11.43 N ATOM 769 CD2 HIS A 50 22.260 0.004 -21.794 1.00 70.45 C ATOM 770 CE1 HIS A 50 23.517 1.774 -22.096 1.00 0.03 C ATOM 771 NE2 HIS A 50 23.547 0.467 -21.916 1.00 34.54 N ATOM 0 H HIS A 50 20.029 -1.141 -21.000 1.00 41.43 H new ATOM 0 HA HIS A 50 18.157 0.209 -22.560 1.00 30.33 H new ATOM 0 HB2 HIS A 50 19.632 2.110 -22.307 1.00 41.03 H new ATOM 0 HB3 HIS A 50 19.626 1.201 -20.809 1.00 41.03 H new ATOM 0 HD2 HIS A 50 21.961 -1.022 -21.638 1.00 70.45 H new ATOM 0 HE1 HIS A 50 24.378 2.414 -22.224 1.00 0.03 H new ATOM 0 HE2 HIS A 50 24.390 -0.106 -21.874 1.00 34.54 H new ATOM 779 N ASN A 51 20.675 -0.973 -24.236 1.00 15.24 N ATOM 780 CA ASN A 51 21.222 -1.168 -25.573 1.00 64.25 C ATOM 781 C ASN A 51 20.414 -2.206 -26.346 1.00 63.54 C ATOM 782 O ASN A 51 19.920 -1.935 -27.441 1.00 35.54 O ATOM 783 CB ASN A 51 22.686 -1.606 -25.489 1.00 63.32 C ATOM 784 CG ASN A 51 23.634 -0.430 -25.354 1.00 44.03 C ATOM 785 OD1 ASN A 51 23.267 0.619 -24.825 1.00 43.11 O ATOM 786 ND2 ASN A 51 24.861 -0.601 -25.834 1.00 71.10 N ATOM 0 H ASN A 51 21.093 -1.565 -23.518 1.00 15.24 H new ATOM 0 HA ASN A 51 21.163 -0.218 -26.104 1.00 64.25 H new ATOM 0 HB2 ASN A 51 22.815 -2.273 -24.636 1.00 63.32 H new ATOM 0 HB3 ASN A 51 22.944 -2.176 -26.381 1.00 63.32 H new ATOM 0 HD21 ASN A 51 25.543 0.155 -25.772 1.00 71.10 H new ATOM 0 HD22 ASN A 51 25.121 -1.488 -26.264 1.00 71.10 H new ATOM 793 N ASP A 52 20.281 -3.395 -25.768 1.00 2.33 N ATOM 794 CA ASP A 52 19.531 -4.473 -26.400 1.00 51.51 C ATOM 795 C ASP A 52 19.278 -5.611 -25.415 1.00 40.41 C ATOM 796 O ASP A 52 19.555 -5.485 -24.222 1.00 50.31 O ATOM 797 CB ASP A 52 20.284 -4.999 -27.622 1.00 20.42 C ATOM 798 CG ASP A 52 21.617 -5.626 -27.256 1.00 4.32 C ATOM 799 OD1 ASP A 52 21.612 -6.685 -26.595 1.00 62.02 O1- ATOM 800 OD2 ASP A 52 22.663 -5.056 -27.630 1.00 62.31 O ATOM 0 H ASP A 52 20.683 -3.636 -24.862 1.00 2.33 H new ATOM 0 HA ASP A 52 18.569 -4.073 -26.720 1.00 51.51 H new ATOM 0 HB2 ASP A 52 19.667 -5.737 -28.135 1.00 20.42 H new ATOM 0 HB3 ASP A 52 20.451 -4.181 -28.322 1.00 20.42 H new ATOM 805 N PHE A 53 18.749 -6.719 -25.922 1.00 23.22 N ATOM 806 CA PHE A 53 18.457 -7.878 -25.087 1.00 74.32 C ATOM 807 C PHE A 53 19.688 -8.766 -24.938 1.00 74.52 C ATOM 808 O PHE A 53 20.481 -8.909 -25.869 1.00 63.11 O ATOM 809 CB PHE A 53 17.302 -8.685 -25.682 1.00 20.02 C ATOM 810 CG PHE A 53 16.071 -7.865 -25.946 1.00 51.11 C ATOM 811 CD1 PHE A 53 15.922 -7.179 -27.140 1.00 71.15 C ATOM 812 CD2 PHE A 53 15.064 -7.779 -24.999 1.00 41.23 C ATOM 813 CE1 PHE A 53 14.791 -6.424 -27.387 1.00 34.33 C ATOM 814 CE2 PHE A 53 13.930 -7.026 -25.240 1.00 25.13 C ATOM 815 CZ PHE A 53 13.794 -6.346 -26.435 1.00 23.43 C ATOM 0 H PHE A 53 18.514 -6.839 -26.907 1.00 23.22 H new ATOM 0 HA PHE A 53 18.169 -7.518 -24.099 1.00 74.32 H new ATOM 0 HB2 PHE A 53 17.631 -9.142 -26.615 1.00 20.02 H new ATOM 0 HB3 PHE A 53 17.048 -9.498 -25.001 1.00 20.02 H new ATOM 0 HD1 PHE A 53 16.700 -7.235 -27.888 1.00 71.15 H new ATOM 0 HD2 PHE A 53 15.166 -8.306 -24.062 1.00 41.23 H new ATOM 0 HE1 PHE A 53 14.687 -5.896 -28.323 1.00 34.33 H new ATOM 0 HE2 PHE A 53 13.151 -6.969 -24.494 1.00 25.13 H new ATOM 0 HZ PHE A 53 12.910 -5.755 -26.624 1.00 23.43 H new ATOM 825 N VAL A 54 19.843 -9.361 -23.759 1.00 60.01 N ATOM 826 CA VAL A 54 20.978 -10.236 -23.486 1.00 21.43 C ATOM 827 C VAL A 54 20.605 -11.325 -22.488 1.00 43.31 C ATOM 828 O VAL A 54 19.881 -11.075 -21.523 1.00 73.14 O ATOM 829 CB VAL A 54 22.179 -9.443 -22.939 1.00 12.13 C ATOM 830 CG1 VAL A 54 23.336 -10.378 -22.620 1.00 42.10 C ATOM 831 CG2 VAL A 54 22.608 -8.373 -23.932 1.00 4.03 C ATOM 0 H VAL A 54 19.197 -9.253 -22.977 1.00 60.01 H new ATOM 0 HA VAL A 54 21.257 -10.696 -24.434 1.00 21.43 H new ATOM 0 HB VAL A 54 21.875 -8.950 -22.016 1.00 12.13 H new ATOM 0 HG11 VAL A 54 24.176 -9.800 -22.235 1.00 42.10 H new ATOM 0 HG12 VAL A 54 23.021 -11.104 -21.870 1.00 42.10 H new ATOM 0 HG13 VAL A 54 23.641 -10.901 -23.526 1.00 42.10 H new ATOM 0 HG21 VAL A 54 23.458 -7.822 -23.529 1.00 4.03 H new ATOM 0 HG22 VAL A 54 22.894 -8.843 -24.873 1.00 4.03 H new ATOM 0 HG23 VAL A 54 21.780 -7.686 -24.107 1.00 4.03 H new ATOM 841 N ALA A 55 21.102 -12.534 -22.726 1.00 4.51 N ATOM 842 CA ALA A 55 20.824 -13.661 -21.845 1.00 54.01 C ATOM 843 C ALA A 55 22.076 -14.088 -21.086 1.00 32.03 C ATOM 844 O ALA A 55 23.187 -14.015 -21.611 1.00 42.01 O ATOM 845 CB ALA A 55 20.264 -14.829 -22.644 1.00 40.42 C ATOM 0 H ALA A 55 21.699 -12.758 -23.522 1.00 4.51 H new ATOM 0 HA ALA A 55 20.080 -13.344 -21.114 1.00 54.01 H new ATOM 0 HB1 ALA A 55 20.061 -15.664 -21.974 1.00 40.42 H new ATOM 0 HB2 ALA A 55 19.340 -14.524 -23.135 1.00 40.42 H new ATOM 0 HB3 ALA A 55 20.990 -15.136 -23.397 1.00 40.42 H new ATOM 851 N ILE A 56 21.888 -14.534 -19.848 1.00 34.40 N ATOM 852 CA ILE A 56 23.003 -14.972 -19.018 1.00 21.40 C ATOM 853 C ILE A 56 22.647 -16.237 -18.243 1.00 72.24 C ATOM 854 O ILE A 56 21.702 -16.248 -17.453 1.00 72.43 O ATOM 855 CB ILE A 56 23.430 -13.877 -18.023 1.00 50.33 C ATOM 856 CG1 ILE A 56 23.804 -12.596 -18.771 1.00 71.52 C ATOM 857 CG2 ILE A 56 24.595 -14.358 -17.171 1.00 41.55 C ATOM 858 CD1 ILE A 56 24.987 -12.762 -19.700 1.00 74.44 C ATOM 0 H ILE A 56 20.975 -14.601 -19.398 1.00 34.40 H new ATOM 0 HA ILE A 56 23.834 -15.182 -19.692 1.00 21.40 H new ATOM 0 HB ILE A 56 22.590 -13.659 -17.364 1.00 50.33 H new ATOM 0 HG12 ILE A 56 22.944 -12.258 -19.348 1.00 71.52 H new ATOM 0 HG13 ILE A 56 24.029 -11.814 -18.046 1.00 71.52 H new ATOM 0 HG21 ILE A 56 24.884 -13.572 -16.473 1.00 41.55 H new ATOM 0 HG22 ILE A 56 24.296 -15.246 -16.614 1.00 41.55 H new ATOM 0 HG23 ILE A 56 25.440 -14.601 -17.815 1.00 41.55 H new ATOM 0 HD11 ILE A 56 25.195 -11.814 -20.197 1.00 74.44 H new ATOM 0 HD12 ILE A 56 25.860 -13.070 -19.125 1.00 74.44 H new ATOM 0 HD13 ILE A 56 24.758 -13.521 -20.448 1.00 74.44 H new ATOM 870 N LEU A 57 23.410 -17.300 -18.471 1.00 23.15 N ATOM 871 CA LEU A 57 23.178 -18.569 -17.793 1.00 22.42 C ATOM 872 C LEU A 57 24.466 -19.379 -17.695 1.00 52.54 C ATOM 873 O LEU A 57 25.194 -19.527 -18.678 1.00 60.35 O ATOM 874 CB LEU A 57 22.110 -19.377 -18.532 1.00 74.01 C ATOM 875 CG LEU A 57 22.005 -19.131 -20.038 1.00 65.41 C ATOM 876 CD1 LEU A 57 21.499 -20.377 -20.748 1.00 60.15 C ATOM 877 CD2 LEU A 57 21.093 -17.946 -20.323 1.00 20.50 C ATOM 0 H LEU A 57 24.196 -17.308 -19.121 1.00 23.15 H new ATOM 0 HA LEU A 57 22.829 -18.353 -16.783 1.00 22.42 H new ATOM 0 HB2 LEU A 57 22.308 -20.437 -18.370 1.00 74.01 H new ATOM 0 HB3 LEU A 57 21.142 -19.161 -18.080 1.00 74.01 H new ATOM 0 HG LEU A 57 23.000 -18.899 -20.419 1.00 65.41 H new ATOM 0 HD11 LEU A 57 21.431 -20.183 -21.818 1.00 60.15 H new ATOM 0 HD12 LEU A 57 22.189 -21.202 -20.572 1.00 60.15 H new ATOM 0 HD13 LEU A 57 20.514 -20.640 -20.363 1.00 60.15 H new ATOM 0 HD21 LEU A 57 21.030 -17.786 -21.399 1.00 20.50 H new ATOM 0 HD22 LEU A 57 20.098 -18.149 -19.928 1.00 20.50 H new ATOM 0 HD23 LEU A 57 21.497 -17.053 -19.846 1.00 20.50 H new ATOM 889 N ASP A 58 24.741 -19.902 -16.505 1.00 34.22 N ATOM 890 CA ASP A 58 25.941 -20.701 -16.280 1.00 0.11 C ATOM 891 C ASP A 58 25.808 -22.075 -16.927 1.00 63.43 C ATOM 892 O ASP A 58 25.079 -22.938 -16.433 1.00 41.24 O ATOM 893 CB ASP A 58 26.205 -20.851 -14.782 1.00 24.31 C ATOM 894 CG ASP A 58 25.020 -21.438 -14.041 1.00 42.33 C ATOM 895 OD1 ASP A 58 24.036 -20.702 -13.818 1.00 22.34 O1- ATOM 896 OD2 ASP A 58 25.076 -22.634 -13.683 1.00 2.41 O ATOM 0 H ASP A 58 24.150 -19.787 -15.682 1.00 34.22 H new ATOM 0 HA ASP A 58 26.784 -20.184 -16.739 1.00 0.11 H new ATOM 0 HB2 ASP A 58 27.076 -21.489 -14.632 1.00 24.31 H new ATOM 0 HB3 ASP A 58 26.447 -19.876 -14.359 1.00 24.31 H new ATOM 901 N LEU A 59 26.516 -22.275 -18.034 1.00 33.22 N ATOM 902 CA LEU A 59 26.476 -23.545 -18.750 1.00 60.20 C ATOM 903 C LEU A 59 27.814 -24.269 -18.648 1.00 1.03 C ATOM 904 O LEU A 59 28.870 -23.654 -18.497 1.00 70.11 O ATOM 905 CB LEU A 59 26.117 -23.314 -20.218 1.00 32.04 C ATOM 906 CG LEU A 59 24.956 -22.356 -20.483 1.00 60.02 C ATOM 907 CD1 LEU A 59 25.007 -21.839 -21.913 1.00 43.15 C ATOM 908 CD2 LEU A 59 23.626 -23.041 -20.210 1.00 1.32 C ATOM 0 H LEU A 59 27.125 -21.573 -18.455 1.00 33.22 H new ATOM 0 HA LEU A 59 25.710 -24.170 -18.290 1.00 60.20 H new ATOM 0 HB2 LEU A 59 27.000 -22.933 -20.731 1.00 32.04 H new ATOM 0 HB3 LEU A 59 25.877 -24.277 -20.668 1.00 32.04 H new ATOM 0 HG LEU A 59 25.050 -21.506 -19.807 1.00 60.02 H new ATOM 0 HD11 LEU A 59 24.173 -21.158 -22.084 1.00 43.15 H new ATOM 0 HD12 LEU A 59 25.946 -21.310 -22.075 1.00 43.15 H new ATOM 0 HD13 LEU A 59 24.939 -22.678 -22.606 1.00 43.15 H new ATOM 0 HD21 LEU A 59 22.811 -22.344 -20.404 1.00 1.32 H new ATOM 0 HD22 LEU A 59 23.523 -23.909 -20.861 1.00 1.32 H new ATOM 0 HD23 LEU A 59 23.589 -23.362 -19.169 1.00 1.32 H new ATOM 920 N PRO A 60 27.772 -25.606 -18.735 1.00 53.42 N ATOM 921 CA PRO A 60 28.974 -26.443 -18.658 1.00 72.32 C ATOM 922 C PRO A 60 29.863 -26.294 -19.887 1.00 43.23 C ATOM 923 O PRO A 60 29.373 -26.124 -21.003 1.00 43.11 O ATOM 924 CB PRO A 60 28.411 -27.864 -18.575 1.00 45.22 C ATOM 925 CG PRO A 60 27.073 -27.781 -19.223 1.00 34.34 C ATOM 926 CD PRO A 60 26.549 -26.405 -18.914 1.00 31.23 C ATOM 0 HA PRO A 60 29.608 -26.170 -17.814 1.00 72.32 H new ATOM 0 HB2 PRO A 60 29.056 -28.576 -19.090 1.00 45.22 H new ATOM 0 HB3 PRO A 60 28.330 -28.198 -17.540 1.00 45.22 H new ATOM 0 HG2 PRO A 60 27.150 -27.937 -20.299 1.00 34.34 H new ATOM 0 HG3 PRO A 60 26.404 -28.550 -18.837 1.00 34.34 H new ATOM 0 HD2 PRO A 60 25.932 -26.019 -19.725 1.00 31.23 H new ATOM 0 HD3 PRO A 60 25.932 -26.402 -18.015 1.00 31.23 H new ATOM 934 N GLU A 61 31.175 -26.357 -19.675 1.00 34.34 N ATOM 935 CA GLU A 61 32.132 -26.228 -20.767 1.00 51.40 C ATOM 936 C GLU A 61 31.840 -27.243 -21.869 1.00 71.00 C ATOM 937 O GLU A 61 31.776 -28.446 -21.620 1.00 52.22 O ATOM 938 CB GLU A 61 33.558 -26.418 -20.250 1.00 14.52 C ATOM 939 CG GLU A 61 34.604 -26.471 -21.351 1.00 12.24 C ATOM 940 CD GLU A 61 35.020 -27.888 -21.694 1.00 4.13 C ATOM 941 OE1 GLU A 61 35.246 -28.683 -20.758 1.00 62.21 O ATOM 942 OE2 GLU A 61 35.119 -28.202 -22.898 1.00 14.15 O1- ATOM 0 H GLU A 61 31.598 -26.496 -18.757 1.00 34.34 H new ATOM 0 HA GLU A 61 32.035 -25.226 -21.184 1.00 51.40 H new ATOM 0 HB2 GLU A 61 33.800 -25.602 -19.570 1.00 14.52 H new ATOM 0 HB3 GLU A 61 33.605 -27.340 -19.671 1.00 14.52 H new ATOM 0 HG2 GLU A 61 34.211 -25.986 -22.244 1.00 12.24 H new ATOM 0 HG3 GLU A 61 35.482 -25.904 -21.041 1.00 12.24 H new ATOM 949 N GLY A 62 31.661 -26.747 -23.090 1.00 75.14 N ATOM 950 CA GLY A 62 31.377 -27.623 -24.212 1.00 3.44 C ATOM 951 C GLY A 62 30.665 -26.905 -25.342 1.00 3.40 C ATOM 952 O GLY A 62 31.044 -25.797 -25.717 1.00 30.13 O ATOM 0 H GLY A 62 31.708 -25.755 -23.322 1.00 75.14 H new ATOM 0 HA2 GLY A 62 32.310 -28.045 -24.585 1.00 3.44 H new ATOM 0 HA3 GLY A 62 30.763 -28.457 -23.872 1.00 3.44 H new ATOM 956 N GLU A 63 29.632 -27.540 -25.886 1.00 44.04 N ATOM 957 CA GLU A 63 28.868 -26.956 -26.981 1.00 31.31 C ATOM 958 C GLU A 63 27.377 -27.234 -26.814 1.00 34.40 C ATOM 959 O GLU A 63 27.008 -28.352 -26.459 1.00 55.14 O ATOM 960 CB GLU A 63 29.353 -27.508 -28.323 1.00 71.45 C ATOM 961 CG GLU A 63 28.472 -27.116 -29.498 1.00 41.01 C ATOM 962 CD GLU A 63 27.361 -28.115 -29.754 1.00 64.35 C ATOM 963 OE1 GLU A 63 27.668 -29.314 -29.926 1.00 63.41 O1- ATOM 964 OE2 GLU A 63 26.184 -27.699 -29.781 1.00 13.32 O ATOM 0 H GLU A 63 29.305 -28.459 -25.586 1.00 44.04 H new ATOM 0 HA GLU A 63 29.023 -25.877 -26.962 1.00 31.31 H new ATOM 0 HB2 GLU A 63 30.367 -27.154 -28.507 1.00 71.45 H new ATOM 0 HB3 GLU A 63 29.401 -28.595 -28.263 1.00 71.45 H new ATOM 0 HG2 GLU A 63 28.037 -26.135 -29.309 1.00 41.01 H new ATOM 0 HG3 GLU A 63 29.087 -27.025 -30.393 1.00 41.01 H new ATOM 971 N HIS A 64 26.562 -26.220 -27.068 1.00 11.42 N ATOM 972 CA HIS A 64 25.122 -26.368 -26.941 1.00 43.11 C ATOM 973 C HIS A 64 24.425 -25.570 -28.044 1.00 20.11 C ATOM 974 O HIS A 64 25.025 -24.741 -28.728 1.00 22.41 O ATOM 975 CB HIS A 64 24.656 -25.973 -25.538 1.00 0.52 C ATOM 976 CG HIS A 64 25.775 -25.858 -24.530 1.00 30.40 C ATOM 977 ND1 HIS A 64 26.708 -24.881 -24.341 1.00 23.24 N flip ATOM 978 CD2 HIS A 64 26.024 -26.826 -23.572 1.00 51.01 C flip ATOM 979 CE1 HIS A 64 27.484 -25.232 -23.324 1.00 5.41 C flip ATOM 980 NE2 HIS A 64 27.061 -26.438 -22.845 1.00 33.03 N flip ATOM 0 H HIS A 64 26.872 -25.293 -27.361 1.00 11.42 H new ATOM 0 HA HIS A 64 24.848 -27.415 -27.070 1.00 43.11 H new ATOM 0 HB2 HIS A 64 24.132 -25.019 -25.595 1.00 0.52 H new ATOM 0 HB3 HIS A 64 23.936 -26.711 -25.184 1.00 0.52 H new ATOM 0 HD1 HIS A 64 26.794 -24.025 -24.889 1.00 23.24 H new ATOM 0 HD2 HIS A 64 25.467 -27.742 -23.440 1.00 51.01 H new ATOM 0 HE1 HIS A 64 28.314 -24.658 -22.939 1.00 5.41 H new ATOM 988 N GLN A 65 23.132 -25.840 -28.202 1.00 1.42 N ATOM 989 CA GLN A 65 22.329 -25.161 -29.212 1.00 75.43 C ATOM 990 C GLN A 65 21.122 -24.476 -28.578 1.00 40.13 C ATOM 991 O GLN A 65 20.344 -25.106 -27.863 1.00 52.02 O ATOM 992 CB GLN A 65 21.865 -26.157 -30.277 1.00 73.02 C ATOM 993 CG GLN A 65 22.780 -26.223 -31.489 1.00 71.31 C ATOM 994 CD GLN A 65 22.918 -27.628 -32.040 1.00 43.32 C ATOM 995 OE1 GLN A 65 22.339 -27.961 -33.075 1.00 5.51 O ATOM 996 NE2 GLN A 65 23.688 -28.461 -31.352 1.00 53.03 N ATOM 0 H GLN A 65 22.620 -26.523 -27.644 1.00 1.42 H new ATOM 0 HA GLN A 65 22.950 -24.399 -29.683 1.00 75.43 H new ATOM 0 HB2 GLN A 65 21.796 -27.149 -29.830 1.00 73.02 H new ATOM 0 HB3 GLN A 65 20.862 -25.885 -30.604 1.00 73.02 H new ATOM 0 HG2 GLN A 65 22.392 -25.568 -32.269 1.00 71.31 H new ATOM 0 HG3 GLN A 65 23.765 -25.845 -31.216 1.00 71.31 H new ATOM 0 HE21 GLN A 65 24.149 -28.143 -30.499 1.00 53.03 H new ATOM 0 HE22 GLN A 65 23.819 -29.419 -31.676 1.00 53.03 H new ATOM 1005 N TYR A 66 20.974 -23.184 -28.847 1.00 4.15 N ATOM 1006 CA TYR A 66 19.864 -22.413 -28.300 1.00 72.34 C ATOM 1007 C TYR A 66 19.025 -21.800 -29.418 1.00 74.34 C ATOM 1008 O TYR A 66 19.359 -21.917 -30.596 1.00 1.32 O ATOM 1009 CB TYR A 66 20.387 -21.310 -27.378 1.00 10.24 C ATOM 1010 CG TYR A 66 21.210 -20.263 -28.091 1.00 32.44 C ATOM 1011 CD1 TYR A 66 22.536 -20.501 -28.427 1.00 40.20 C ATOM 1012 CD2 TYR A 66 20.660 -19.033 -28.432 1.00 2.13 C ATOM 1013 CE1 TYR A 66 23.292 -19.546 -29.079 1.00 2.40 C ATOM 1014 CE2 TYR A 66 21.407 -18.072 -29.085 1.00 71.43 C ATOM 1015 CZ TYR A 66 22.723 -18.333 -29.405 1.00 22.23 C ATOM 1016 OH TYR A 66 23.471 -17.379 -30.057 1.00 12.33 O ATOM 0 H TYR A 66 21.608 -22.649 -29.440 1.00 4.15 H new ATOM 0 HA TYR A 66 19.233 -23.090 -27.724 1.00 72.34 H new ATOM 0 HB2 TYR A 66 19.541 -20.825 -26.890 1.00 10.24 H new ATOM 0 HB3 TYR A 66 20.992 -21.762 -26.592 1.00 10.24 H new ATOM 0 HD1 TYR A 66 22.985 -21.450 -28.174 1.00 40.20 H new ATOM 0 HD2 TYR A 66 19.630 -18.825 -28.182 1.00 2.13 H new ATOM 0 HE1 TYR A 66 24.322 -19.748 -29.332 1.00 2.40 H new ATOM 0 HE2 TYR A 66 20.963 -17.122 -29.343 1.00 71.43 H new ATOM 0 HH TYR A 66 22.921 -16.583 -30.214 1.00 12.33 H new ATOM 1026 N LYS A 67 17.933 -21.146 -29.037 1.00 53.20 N ATOM 1027 CA LYS A 67 17.044 -20.513 -30.004 1.00 62.12 C ATOM 1028 C LYS A 67 16.363 -19.289 -29.396 1.00 21.43 C ATOM 1029 O LYS A 67 16.022 -19.280 -28.214 1.00 63.05 O ATOM 1030 CB LYS A 67 15.989 -21.510 -30.487 1.00 52.15 C ATOM 1031 CG LYS A 67 15.135 -20.986 -31.628 1.00 4.31 C ATOM 1032 CD LYS A 67 15.865 -21.072 -32.958 1.00 75.43 C ATOM 1033 CE LYS A 67 15.036 -20.484 -34.089 1.00 71.15 C ATOM 1034 NZ LYS A 67 13.953 -21.410 -34.522 1.00 33.33 N1+ ATOM 0 H LYS A 67 17.642 -21.040 -28.065 1.00 53.20 H new ATOM 0 HA LYS A 67 17.644 -20.189 -30.854 1.00 62.12 H new ATOM 0 HB2 LYS A 67 16.486 -22.426 -30.807 1.00 52.15 H new ATOM 0 HB3 LYS A 67 15.341 -21.774 -29.651 1.00 52.15 H new ATOM 0 HG2 LYS A 67 14.209 -21.558 -31.683 1.00 4.31 H new ATOM 0 HG3 LYS A 67 14.858 -19.950 -31.430 1.00 4.31 H new ATOM 0 HD2 LYS A 67 16.815 -20.541 -32.888 1.00 75.43 H new ATOM 0 HD3 LYS A 67 16.098 -22.114 -33.180 1.00 75.43 H new ATOM 0 HE2 LYS A 67 14.599 -19.539 -33.766 1.00 71.15 H new ATOM 0 HE3 LYS A 67 15.684 -20.261 -34.937 1.00 71.15 H new ATOM 0 HZ1 LYS A 67 13.263 -20.891 -35.102 1.00 33.33 H new ATOM 0 HZ2 LYS A 67 14.362 -22.185 -35.082 1.00 33.33 H new ATOM 0 HZ3 LYS A 67 13.476 -21.802 -33.685 1.00 33.33 H new ATOM 1048 N PHE A 68 16.165 -18.262 -30.214 1.00 0.13 N ATOM 1049 CA PHE A 68 15.525 -17.034 -29.758 1.00 34.41 C ATOM 1050 C PHE A 68 14.016 -17.091 -29.984 1.00 74.51 C ATOM 1051 O PHE A 68 13.545 -17.693 -30.949 1.00 43.04 O ATOM 1052 CB PHE A 68 16.115 -15.824 -30.485 1.00 21.54 C ATOM 1053 CG PHE A 68 17.476 -15.431 -29.986 1.00 34.32 C ATOM 1054 CD1 PHE A 68 17.734 -15.351 -28.628 1.00 24.44 C ATOM 1055 CD2 PHE A 68 18.498 -15.141 -30.876 1.00 45.22 C ATOM 1056 CE1 PHE A 68 18.986 -14.988 -28.166 1.00 64.40 C ATOM 1057 CE2 PHE A 68 19.751 -14.779 -30.421 1.00 21.32 C ATOM 1058 CZ PHE A 68 19.996 -14.704 -29.063 1.00 60.24 C ATOM 0 H PHE A 68 16.438 -18.255 -31.197 1.00 0.13 H new ATOM 0 HA PHE A 68 15.712 -16.933 -28.689 1.00 34.41 H new ATOM 0 HB2 PHE A 68 16.177 -16.045 -31.551 1.00 21.54 H new ATOM 0 HB3 PHE A 68 15.437 -14.977 -30.374 1.00 21.54 H new ATOM 0 HD1 PHE A 68 16.948 -15.575 -27.921 1.00 24.44 H new ATOM 0 HD2 PHE A 68 18.312 -15.199 -31.938 1.00 45.22 H new ATOM 0 HE1 PHE A 68 19.173 -14.927 -27.104 1.00 64.40 H new ATOM 0 HE2 PHE A 68 20.538 -14.555 -31.126 1.00 21.32 H new ATOM 0 HZ PHE A 68 20.975 -14.424 -28.704 1.00 60.24 H new ATOM 1068 N PHE A 69 13.265 -16.461 -29.088 1.00 64.40 N ATOM 1069 CA PHE A 69 11.811 -16.440 -29.187 1.00 63.41 C ATOM 1070 C PHE A 69 11.274 -15.021 -29.030 1.00 34.32 C ATOM 1071 O PHE A 69 11.069 -14.542 -27.915 1.00 62.44 O ATOM 1072 CB PHE A 69 11.192 -17.351 -28.126 1.00 5.13 C ATOM 1073 CG PHE A 69 9.695 -17.446 -28.214 1.00 23.30 C ATOM 1074 CD1 PHE A 69 9.094 -18.271 -29.150 1.00 42.11 C ATOM 1075 CD2 PHE A 69 8.891 -16.709 -27.360 1.00 14.24 C ATOM 1076 CE1 PHE A 69 7.718 -18.360 -29.233 1.00 52.12 C ATOM 1077 CE2 PHE A 69 7.514 -16.793 -27.438 1.00 13.20 C ATOM 1078 CZ PHE A 69 6.926 -17.620 -28.376 1.00 3.22 C ATOM 0 H PHE A 69 13.640 -15.958 -28.284 1.00 64.40 H new ATOM 0 HA PHE A 69 11.536 -16.806 -30.176 1.00 63.41 H new ATOM 0 HB2 PHE A 69 11.617 -18.350 -28.224 1.00 5.13 H new ATOM 0 HB3 PHE A 69 11.467 -16.983 -27.138 1.00 5.13 H new ATOM 0 HD1 PHE A 69 9.708 -18.851 -29.823 1.00 42.11 H new ATOM 0 HD2 PHE A 69 9.346 -16.061 -26.625 1.00 14.24 H new ATOM 0 HE1 PHE A 69 7.262 -19.007 -29.967 1.00 52.12 H new ATOM 0 HE2 PHE A 69 6.898 -16.213 -26.767 1.00 13.20 H new ATOM 0 HZ PHE A 69 5.850 -17.688 -28.439 1.00 3.22 H new ATOM 1088 N VAL A 70 11.049 -14.351 -30.156 1.00 51.23 N ATOM 1089 CA VAL A 70 10.536 -12.986 -30.145 1.00 53.12 C ATOM 1090 C VAL A 70 9.235 -12.882 -30.933 1.00 13.23 C ATOM 1091 O VAL A 70 9.003 -13.642 -31.873 1.00 23.10 O ATOM 1092 CB VAL A 70 11.560 -11.997 -30.733 1.00 52.31 C ATOM 1093 CG1 VAL A 70 11.107 -10.563 -30.508 1.00 23.12 C ATOM 1094 CG2 VAL A 70 12.936 -12.232 -30.127 1.00 41.35 C ATOM 0 H VAL A 70 11.214 -14.732 -31.088 1.00 51.23 H new ATOM 0 HA VAL A 70 10.348 -12.726 -29.103 1.00 53.12 H new ATOM 0 HB VAL A 70 11.628 -12.167 -31.808 1.00 52.31 H new ATOM 0 HG11 VAL A 70 11.843 -9.879 -30.930 1.00 23.12 H new ATOM 0 HG12 VAL A 70 10.144 -10.405 -30.994 1.00 23.12 H new ATOM 0 HG13 VAL A 70 11.009 -10.376 -29.439 1.00 23.12 H new ATOM 0 HG21 VAL A 70 13.647 -11.525 -30.554 1.00 41.35 H new ATOM 0 HG22 VAL A 70 12.887 -12.091 -29.047 1.00 41.35 H new ATOM 0 HG23 VAL A 70 13.261 -13.249 -30.345 1.00 41.35 H new ATOM 1104 N ASP A 71 8.389 -11.934 -30.544 1.00 3.15 N ATOM 1105 CA ASP A 71 7.110 -11.728 -31.214 1.00 54.03 C ATOM 1106 C ASP A 71 6.247 -12.985 -31.136 1.00 20.14 C ATOM 1107 O ASP A 71 5.472 -13.273 -32.046 1.00 62.44 O ATOM 1108 CB ASP A 71 7.333 -11.338 -32.675 1.00 64.34 C ATOM 1109 CG ASP A 71 8.394 -10.265 -32.833 1.00 14.24 C ATOM 1110 OD1 ASP A 71 8.245 -9.188 -32.216 1.00 63.53 O ATOM 1111 OD2 ASP A 71 9.372 -10.502 -33.571 1.00 51.33 O1- ATOM 0 H ASP A 71 8.566 -11.296 -29.768 1.00 3.15 H new ATOM 0 HA ASP A 71 6.587 -10.918 -30.705 1.00 54.03 H new ATOM 0 HB2 ASP A 71 7.626 -12.221 -33.243 1.00 64.34 H new ATOM 0 HB3 ASP A 71 6.395 -10.982 -33.100 1.00 64.34 H new ATOM 1116 N GLY A 72 6.390 -13.727 -30.043 1.00 2.30 N ATOM 1117 CA GLY A 72 5.617 -14.944 -29.867 1.00 30.24 C ATOM 1118 C GLY A 72 5.972 -16.008 -30.888 1.00 72.25 C ATOM 1119 O GLY A 72 5.137 -16.838 -31.242 1.00 21.11 O ATOM 0 H GLY A 72 7.026 -13.508 -29.276 1.00 2.30 H new ATOM 0 HA2 GLY A 72 5.786 -15.336 -28.864 1.00 30.24 H new ATOM 0 HA3 GLY A 72 4.555 -14.711 -29.944 1.00 30.24 H new ATOM 1123 N GLN A 73 7.214 -15.981 -31.360 1.00 45.23 N ATOM 1124 CA GLN A 73 7.676 -16.950 -32.347 1.00 20.11 C ATOM 1125 C GLN A 73 9.177 -17.187 -32.216 1.00 25.04 C ATOM 1126 O GLN A 73 9.913 -16.323 -31.741 1.00 32.35 O ATOM 1127 CB GLN A 73 7.345 -16.467 -33.760 1.00 33.33 C ATOM 1128 CG GLN A 73 8.097 -15.208 -34.164 1.00 51.12 C ATOM 1129 CD GLN A 73 8.023 -14.938 -35.654 1.00 31.44 C ATOM 1130 OE1 GLN A 73 7.352 -14.004 -36.094 1.00 52.31 O ATOM 1131 NE2 GLN A 73 8.716 -15.753 -36.439 1.00 32.52 N ATOM 0 H GLN A 73 7.918 -15.300 -31.075 1.00 45.23 H new ATOM 0 HA GLN A 73 7.161 -17.893 -32.163 1.00 20.11 H new ATOM 0 HB2 GLN A 73 7.575 -17.261 -34.470 1.00 33.33 H new ATOM 0 HB3 GLN A 73 6.274 -16.278 -33.829 1.00 33.33 H new ATOM 0 HG2 GLN A 73 7.687 -14.355 -33.623 1.00 51.12 H new ATOM 0 HG3 GLN A 73 9.142 -15.302 -33.867 1.00 51.12 H new ATOM 0 HE21 GLN A 73 9.259 -16.514 -36.031 1.00 32.52 H new ATOM 0 HE22 GLN A 73 8.706 -15.618 -37.450 1.00 32.52 H new ATOM 1140 N TRP A 74 9.624 -18.364 -32.641 1.00 23.22 N ATOM 1141 CA TRP A 74 11.038 -18.715 -32.570 1.00 12.20 C ATOM 1142 C TRP A 74 11.794 -18.170 -33.776 1.00 60.11 C ATOM 1143 O TRP A 74 11.560 -18.590 -34.910 1.00 24.22 O ATOM 1144 CB TRP A 74 11.204 -20.233 -32.491 1.00 50.12 C ATOM 1145 CG TRP A 74 10.705 -20.819 -31.204 1.00 43.22 C ATOM 1146 CD1 TRP A 74 9.509 -21.446 -30.999 1.00 54.41 C ATOM 1147 CD2 TRP A 74 11.388 -20.831 -29.947 1.00 32.22 C ATOM 1148 NE1 TRP A 74 9.408 -21.847 -29.688 1.00 41.32 N ATOM 1149 CE2 TRP A 74 10.547 -21.482 -29.022 1.00 15.44 C ATOM 1150 CE3 TRP A 74 12.629 -20.357 -29.511 1.00 73.11 C ATOM 1151 CZ2 TRP A 74 10.909 -21.668 -27.690 1.00 32.40 C ATOM 1152 CZ3 TRP A 74 12.986 -20.543 -28.189 1.00 32.22 C ATOM 1153 CH2 TRP A 74 12.129 -21.194 -27.291 1.00 52.42 C ATOM 0 H TRP A 74 9.028 -19.091 -33.038 1.00 23.22 H new ATOM 0 HA TRP A 74 11.455 -18.264 -31.669 1.00 12.20 H new ATOM 0 HB2 TRP A 74 10.671 -20.693 -33.323 1.00 50.12 H new ATOM 0 HB3 TRP A 74 12.258 -20.483 -32.611 1.00 50.12 H new ATOM 0 HD1 TRP A 74 8.754 -21.603 -31.755 1.00 54.41 H new ATOM 0 HE1 TRP A 74 8.613 -22.337 -29.278 1.00 41.32 H new ATOM 0 HE3 TRP A 74 13.297 -19.854 -30.195 1.00 73.11 H new ATOM 0 HZ2 TRP A 74 10.250 -22.169 -26.996 1.00 32.40 H new ATOM 0 HZ3 TRP A 74 13.942 -20.180 -27.842 1.00 32.22 H new ATOM 0 HH2 TRP A 74 12.438 -21.324 -26.264 1.00 52.42 H new ATOM 1164 N VAL A 75 12.704 -17.234 -33.526 1.00 42.22 N ATOM 1165 CA VAL A 75 13.497 -16.633 -34.592 1.00 53.15 C ATOM 1166 C VAL A 75 14.988 -16.845 -34.355 1.00 42.43 C ATOM 1167 O VAL A 75 15.398 -17.305 -33.289 1.00 15.11 O ATOM 1168 CB VAL A 75 13.218 -15.123 -34.716 1.00 14.03 C ATOM 1169 CG1 VAL A 75 11.747 -14.875 -35.012 1.00 25.31 C ATOM 1170 CG2 VAL A 75 13.645 -14.398 -33.449 1.00 33.52 C ATOM 0 H VAL A 75 12.911 -16.875 -32.594 1.00 42.22 H new ATOM 0 HA VAL A 75 13.206 -17.126 -35.519 1.00 53.15 H new ATOM 0 HB VAL A 75 13.803 -14.729 -35.548 1.00 14.03 H new ATOM 0 HG11 VAL A 75 11.569 -13.803 -35.096 1.00 25.31 H new ATOM 0 HG12 VAL A 75 11.477 -15.363 -35.949 1.00 25.31 H new ATOM 0 HG13 VAL A 75 11.140 -15.282 -34.203 1.00 25.31 H new ATOM 0 HG21 VAL A 75 13.441 -13.332 -33.553 1.00 33.52 H new ATOM 0 HG22 VAL A 75 13.088 -14.793 -32.599 1.00 33.52 H new ATOM 0 HG23 VAL A 75 14.712 -14.549 -33.286 1.00 33.52 H new ATOM 1180 N HIS A 76 15.794 -16.508 -35.356 1.00 54.12 N ATOM 1181 CA HIS A 76 17.242 -16.661 -35.256 1.00 10.02 C ATOM 1182 C HIS A 76 17.958 -15.616 -36.107 1.00 43.22 C ATOM 1183 O HIS A 76 17.416 -15.134 -37.102 1.00 33.44 O ATOM 1184 CB HIS A 76 17.658 -18.065 -35.694 1.00 62.13 C ATOM 1185 CG HIS A 76 17.573 -18.281 -37.174 1.00 63.23 C ATOM 1186 ND1 HIS A 76 18.352 -17.826 -38.182 1.00 33.14 N flip ATOM 1187 CD2 HIS A 76 16.591 -19.048 -37.766 1.00 1.42 C flip ATOM 1188 CE1 HIS A 76 17.833 -18.321 -39.353 1.00 52.22 C flip ATOM 1189 NE2 HIS A 76 16.773 -19.056 -39.074 1.00 14.42 N flip ATOM 0 H HIS A 76 15.470 -16.127 -36.245 1.00 54.12 H new ATOM 0 HA HIS A 76 17.528 -16.514 -34.215 1.00 10.02 H new ATOM 0 HB2 HIS A 76 18.681 -18.251 -35.366 1.00 62.13 H new ATOM 0 HB3 HIS A 76 17.025 -18.796 -35.192 1.00 62.13 H new ATOM 0 HD2 HIS A 76 15.798 -19.561 -37.242 1.00 1.42 H new ATOM 0 HE1 HIS A 76 18.228 -18.139 -40.341 1.00 52.22 H new ATOM 0 HE2 HIS A 76 16.192 -19.547 -39.754 1.00 14.42 H new ATOM 1197 N ASP A 77 19.177 -15.271 -35.709 1.00 61.11 N ATOM 1198 CA ASP A 77 19.968 -14.284 -36.435 1.00 41.41 C ATOM 1199 C ASP A 77 20.934 -14.965 -37.400 1.00 24.02 C ATOM 1200 O ASP A 77 21.615 -15.932 -37.056 1.00 23.04 O ATOM 1201 CB ASP A 77 20.742 -13.400 -35.456 1.00 44.44 C ATOM 1202 CG ASP A 77 21.793 -14.173 -34.685 1.00 1.12 C ATOM 1203 OD1 ASP A 77 21.417 -15.089 -33.923 1.00 34.33 O ATOM 1204 OD2 ASP A 77 22.992 -13.863 -34.842 1.00 10.11 O1- ATOM 0 H ASP A 77 19.639 -15.660 -34.887 1.00 61.11 H new ATOM 0 HA ASP A 77 19.286 -13.661 -37.013 1.00 41.41 H new ATOM 0 HB2 ASP A 77 21.221 -12.589 -36.004 1.00 44.44 H new ATOM 0 HB3 ASP A 77 20.044 -12.942 -34.755 1.00 44.44 H new ATOM 1209 N PRO A 78 20.997 -14.449 -38.636 1.00 15.43 N ATOM 1210 CA PRO A 78 21.877 -14.993 -39.675 1.00 4.43 C ATOM 1211 C PRO A 78 23.350 -14.728 -39.385 1.00 61.31 C ATOM 1212 O PRO A 78 24.232 -15.342 -39.986 1.00 23.50 O ATOM 1213 CB PRO A 78 21.438 -14.244 -40.938 1.00 61.03 C ATOM 1214 CG PRO A 78 20.852 -12.970 -40.437 1.00 70.11 C ATOM 1215 CD PRO A 78 20.215 -13.298 -39.115 1.00 31.15 C ATOM 0 HA PRO A 78 21.794 -16.077 -39.753 1.00 4.43 H new ATOM 0 HB2 PRO A 78 22.282 -14.058 -41.602 1.00 61.03 H new ATOM 0 HB3 PRO A 78 20.707 -14.820 -41.506 1.00 61.03 H new ATOM 0 HG2 PRO A 78 21.621 -12.206 -40.321 1.00 70.11 H new ATOM 0 HG3 PRO A 78 20.116 -12.577 -41.138 1.00 70.11 H new ATOM 0 HD2 PRO A 78 20.271 -12.458 -38.423 1.00 31.15 H new ATOM 0 HD3 PRO A 78 19.160 -13.548 -39.228 1.00 31.15 H new ATOM 1223 N SER A 79 23.610 -13.812 -38.458 1.00 34.01 N ATOM 1224 CA SER A 79 24.977 -13.464 -38.090 1.00 21.01 C ATOM 1225 C SER A 79 25.604 -14.558 -37.231 1.00 1.21 C ATOM 1226 O SER A 79 26.815 -14.774 -37.269 1.00 44.53 O ATOM 1227 CB SER A 79 25.003 -12.131 -37.338 1.00 32.35 C ATOM 1228 OG SER A 79 25.128 -11.042 -38.234 1.00 23.51 O ATOM 0 H SER A 79 22.892 -13.297 -37.948 1.00 34.01 H new ATOM 0 HA SER A 79 25.559 -13.367 -39.006 1.00 21.01 H new ATOM 0 HB2 SER A 79 24.089 -12.022 -36.754 1.00 32.35 H new ATOM 0 HB3 SER A 79 25.835 -12.124 -36.634 1.00 32.35 H new ATOM 0 HG SER A 79 25.140 -10.202 -37.729 1.00 23.51 H new ATOM 1234 N GLU A 80 24.770 -15.245 -36.458 1.00 41.40 N ATOM 1235 CA GLU A 80 25.241 -16.316 -35.588 1.00 72.34 C ATOM 1236 C GLU A 80 25.229 -17.655 -36.319 1.00 21.05 C ATOM 1237 O GLU A 80 24.557 -17.830 -37.336 1.00 74.53 O ATOM 1238 CB GLU A 80 24.374 -16.401 -34.330 1.00 2.30 C ATOM 1239 CG GLU A 80 24.854 -15.508 -33.198 1.00 10.13 C ATOM 1240 CD GLU A 80 26.301 -15.767 -32.824 1.00 3.42 C ATOM 1241 OE1 GLU A 80 27.190 -15.116 -33.411 1.00 15.10 O ATOM 1242 OE2 GLU A 80 26.543 -16.620 -31.945 1.00 21.22 O1- ATOM 0 H GLU A 80 23.764 -15.079 -36.416 1.00 41.40 H new ATOM 0 HA GLU A 80 26.267 -16.089 -35.298 1.00 72.34 H new ATOM 0 HB2 GLU A 80 23.350 -16.130 -34.586 1.00 2.30 H new ATOM 0 HB3 GLU A 80 24.353 -17.434 -33.983 1.00 2.30 H new ATOM 0 HG2 GLU A 80 24.739 -14.464 -33.490 1.00 10.13 H new ATOM 0 HG3 GLU A 80 24.223 -15.665 -32.323 1.00 10.13 H new ATOM 1249 N PRO A 81 25.991 -18.625 -35.791 1.00 13.13 N ATOM 1250 CA PRO A 81 26.084 -19.965 -36.375 1.00 34.44 C ATOM 1251 C PRO A 81 24.792 -20.759 -36.217 1.00 52.34 C ATOM 1252 O PRO A 81 24.625 -21.506 -35.253 1.00 32.21 O ATOM 1253 CB PRO A 81 27.216 -20.621 -35.581 1.00 71.33 C ATOM 1254 CG PRO A 81 27.229 -19.901 -34.276 1.00 70.53 C ATOM 1255 CD PRO A 81 26.818 -18.487 -34.580 1.00 61.31 C ATOM 0 HA PRO A 81 26.264 -19.929 -37.449 1.00 34.44 H new ATOM 0 HB2 PRO A 81 27.037 -21.687 -35.443 1.00 71.33 H new ATOM 0 HB3 PRO A 81 28.171 -20.522 -36.097 1.00 71.33 H new ATOM 0 HG2 PRO A 81 26.541 -20.364 -33.568 1.00 70.53 H new ATOM 0 HG3 PRO A 81 28.220 -19.931 -33.824 1.00 70.53 H new ATOM 0 HD2 PRO A 81 26.255 -18.046 -33.757 1.00 61.31 H new ATOM 0 HD3 PRO A 81 27.682 -17.846 -34.754 1.00 61.31 H new ATOM 1263 N VAL A 82 23.881 -20.593 -37.171 1.00 53.33 N ATOM 1264 CA VAL A 82 22.603 -21.296 -37.138 1.00 75.02 C ATOM 1265 C VAL A 82 22.684 -22.617 -37.895 1.00 72.11 C ATOM 1266 O VAL A 82 23.502 -22.779 -38.799 1.00 30.20 O ATOM 1267 CB VAL A 82 21.476 -20.439 -37.741 1.00 12.11 C ATOM 1268 CG1 VAL A 82 21.180 -19.241 -36.851 1.00 54.42 C ATOM 1269 CG2 VAL A 82 21.842 -19.990 -39.147 1.00 55.33 C ATOM 0 H VAL A 82 24.004 -19.978 -37.976 1.00 53.33 H new ATOM 0 HA VAL A 82 22.377 -21.494 -36.090 1.00 75.02 H new ATOM 0 HB VAL A 82 20.574 -21.048 -37.801 1.00 12.11 H new ATOM 0 HG11 VAL A 82 20.381 -18.647 -37.294 1.00 54.42 H new ATOM 0 HG12 VAL A 82 20.871 -19.588 -35.865 1.00 54.42 H new ATOM 0 HG13 VAL A 82 22.077 -18.628 -36.755 1.00 54.42 H new ATOM 0 HG21 VAL A 82 21.034 -19.385 -39.558 1.00 55.33 H new ATOM 0 HG22 VAL A 82 22.757 -19.398 -39.113 1.00 55.33 H new ATOM 0 HG23 VAL A 82 21.998 -20.864 -39.779 1.00 55.33 H new ATOM 1279 N VAL A 83 21.827 -23.561 -37.518 1.00 45.51 N ATOM 1280 CA VAL A 83 21.798 -24.869 -38.163 1.00 23.24 C ATOM 1281 C VAL A 83 20.433 -25.530 -38.005 1.00 60.32 C ATOM 1282 O VAL A 83 19.745 -25.328 -37.004 1.00 51.55 O ATOM 1283 CB VAL A 83 22.879 -25.803 -37.586 1.00 54.51 C ATOM 1284 CG1 VAL A 83 22.630 -26.058 -36.107 1.00 32.22 C ATOM 1285 CG2 VAL A 83 22.922 -27.110 -38.362 1.00 63.11 C ATOM 0 H VAL A 83 21.144 -23.445 -36.770 1.00 45.51 H new ATOM 0 HA VAL A 83 21.998 -24.704 -39.222 1.00 23.24 H new ATOM 0 HB VAL A 83 23.849 -25.315 -37.687 1.00 54.51 H new ATOM 0 HG11 VAL A 83 23.403 -26.720 -35.717 1.00 32.22 H new ATOM 0 HG12 VAL A 83 22.654 -25.112 -35.566 1.00 32.22 H new ATOM 0 HG13 VAL A 83 21.654 -26.525 -35.978 1.00 32.22 H new ATOM 0 HG21 VAL A 83 23.691 -27.758 -37.941 1.00 63.11 H new ATOM 0 HG22 VAL A 83 21.953 -27.605 -38.294 1.00 63.11 H new ATOM 0 HG23 VAL A 83 23.153 -26.905 -39.407 1.00 63.11 H new ATOM 1377 N ILE A 90 15.399 -24.579 -37.528 1.00 10.10 N ATOM 1378 CA ILE A 90 16.693 -23.920 -37.401 1.00 62.35 C ATOM 1379 C ILE A 90 16.957 -23.501 -35.958 1.00 75.12 C ATOM 1380 O ILE A 90 16.033 -23.154 -35.224 1.00 35.51 O ATOM 1381 CB ILE A 90 16.785 -22.679 -38.308 1.00 41.43 C ATOM 1382 CG1 ILE A 90 16.437 -23.050 -39.752 1.00 0.30 C ATOM 1383 CG2 ILE A 90 18.177 -22.070 -38.233 1.00 75.22 C ATOM 1384 CD1 ILE A 90 17.480 -23.918 -40.420 1.00 52.12 C ATOM 0 HA ILE A 90 17.447 -24.643 -37.711 1.00 62.35 H new ATOM 0 HB ILE A 90 16.066 -21.937 -37.959 1.00 41.43 H new ATOM 0 HG12 ILE A 90 15.480 -23.571 -39.764 1.00 0.30 H new ATOM 0 HG13 ILE A 90 16.310 -22.137 -40.333 1.00 0.30 H new ATOM 0 HG21 ILE A 90 18.226 -21.194 -38.880 1.00 75.22 H new ATOM 0 HG22 ILE A 90 18.390 -21.775 -37.206 1.00 75.22 H new ATOM 0 HG23 ILE A 90 18.913 -22.804 -38.560 1.00 75.22 H new ATOM 0 HD11 ILE A 90 17.168 -24.142 -41.440 1.00 52.12 H new ATOM 0 HD12 ILE A 90 18.434 -23.391 -40.440 1.00 52.12 H new ATOM 0 HD13 ILE A 90 17.591 -24.848 -39.862 1.00 52.12 H new ATOM 1396 N ASN A 91 18.225 -23.535 -35.560 1.00 74.31 N ATOM 1397 CA ASN A 91 18.611 -23.158 -34.206 1.00 40.23 C ATOM 1398 C ASN A 91 20.024 -22.583 -34.183 1.00 12.32 C ATOM 1399 O ASN A 91 20.828 -22.852 -35.074 1.00 61.32 O ATOM 1400 CB ASN A 91 18.526 -24.368 -33.273 1.00 75.11 C ATOM 1401 CG ASN A 91 18.878 -25.664 -33.975 1.00 53.20 C ATOM 1402 OD1 ASN A 91 18.137 -26.136 -34.839 1.00 42.42 O ATOM 1403 ND2 ASN A 91 20.012 -26.248 -33.606 1.00 13.21 N ATOM 0 H ASN A 91 19.002 -23.820 -36.156 1.00 74.31 H new ATOM 0 HA ASN A 91 17.919 -22.390 -33.859 1.00 40.23 H new ATOM 0 HB2 ASN A 91 19.200 -24.221 -32.429 1.00 75.11 H new ATOM 0 HB3 ASN A 91 17.517 -24.440 -32.867 1.00 75.11 H new ATOM 0 HD21 ASN A 91 20.300 -27.124 -34.043 1.00 13.21 H new ATOM 0 HD22 ASN A 91 20.595 -25.821 -32.886 1.00 13.21 H new ATOM 1410 N ASN A 92 20.318 -21.789 -33.158 1.00 4.32 N ATOM 1411 CA ASN A 92 21.634 -21.176 -33.020 1.00 54.51 C ATOM 1412 C ASN A 92 22.643 -22.175 -32.462 1.00 33.33 C ATOM 1413 O ASN A 92 22.282 -23.285 -32.068 1.00 14.13 O ATOM 1414 CB ASN A 92 21.555 -19.951 -32.106 1.00 61.45 C ATOM 1415 CG ASN A 92 20.815 -18.795 -32.752 1.00 60.54 C ATOM 1416 OD1 ASN A 92 21.324 -18.327 -33.885 1.00 53.33 O flip ATOM 1417 ND2 ASN A 92 19.798 -18.330 -32.238 1.00 23.44 N flip ATOM 0 H ASN A 92 19.663 -21.555 -32.412 1.00 4.32 H new ATOM 0 HA ASN A 92 21.967 -20.863 -34.009 1.00 54.51 H new ATOM 0 HB2 ASN A 92 21.055 -20.226 -31.177 1.00 61.45 H new ATOM 0 HB3 ASN A 92 22.563 -19.632 -31.843 1.00 61.45 H new ATOM 0 HD21 ASN A 92 19.443 -18.722 -31.366 1.00 23.44 H new ATOM 0 HD22 ASN A 92 19.311 -17.553 -32.684 1.00 23.44 H new ATOM 1424 N LEU A 93 23.910 -21.773 -32.432 1.00 32.05 N ATOM 1425 CA LEU A 93 24.973 -22.633 -31.922 1.00 34.14 C ATOM 1426 C LEU A 93 25.891 -21.861 -30.979 1.00 2.14 C ATOM 1427 O LEU A 93 26.337 -20.759 -31.296 1.00 5.21 O ATOM 1428 CB LEU A 93 25.785 -23.215 -33.080 1.00 74.14 C ATOM 1429 CG LEU A 93 26.962 -24.110 -32.692 1.00 42.32 C ATOM 1430 CD1 LEU A 93 26.507 -25.203 -31.735 1.00 3.13 C ATOM 1431 CD2 LEU A 93 27.602 -24.717 -33.932 1.00 72.43 C ATOM 0 H LEU A 93 24.226 -20.858 -32.754 1.00 32.05 H new ATOM 0 HA LEU A 93 24.512 -23.448 -31.365 1.00 34.14 H new ATOM 0 HB2 LEU A 93 25.112 -23.790 -33.716 1.00 74.14 H new ATOM 0 HB3 LEU A 93 26.165 -22.389 -33.682 1.00 74.14 H new ATOM 0 HG LEU A 93 27.708 -23.498 -32.185 1.00 42.32 H new ATOM 0 HD11 LEU A 93 27.357 -25.831 -31.469 1.00 3.13 H new ATOM 0 HD12 LEU A 93 26.095 -24.749 -30.834 1.00 3.13 H new ATOM 0 HD13 LEU A 93 25.742 -25.813 -32.216 1.00 3.13 H new ATOM 0 HD21 LEU A 93 28.438 -25.351 -33.637 1.00 72.43 H new ATOM 0 HD22 LEU A 93 26.864 -25.315 -34.467 1.00 72.43 H new ATOM 0 HD23 LEU A 93 27.963 -23.920 -34.582 1.00 72.43 H new ATOM 1443 N ILE A 94 26.171 -22.450 -29.822 1.00 14.30 N ATOM 1444 CA ILE A 94 27.040 -21.820 -28.834 1.00 21.03 C ATOM 1445 C ILE A 94 28.107 -22.791 -28.342 1.00 2.32 C ATOM 1446 O ILE A 94 27.849 -23.984 -28.180 1.00 25.24 O ATOM 1447 CB ILE A 94 26.236 -21.302 -27.627 1.00 25.21 C ATOM 1448 CG1 ILE A 94 27.176 -20.687 -26.588 1.00 25.24 C ATOM 1449 CG2 ILE A 94 25.419 -22.428 -27.012 1.00 53.44 C ATOM 1450 CD1 ILE A 94 26.605 -19.465 -25.905 1.00 45.44 C ATOM 0 H ILE A 94 25.809 -23.363 -29.545 1.00 14.30 H new ATOM 0 HA ILE A 94 27.521 -20.976 -29.329 1.00 21.03 H new ATOM 0 HB ILE A 94 25.549 -20.529 -27.970 1.00 25.21 H new ATOM 0 HG12 ILE A 94 27.412 -21.438 -25.834 1.00 25.24 H new ATOM 0 HG13 ILE A 94 28.114 -20.417 -27.073 1.00 25.24 H new ATOM 0 HG21 ILE A 94 24.856 -22.046 -26.160 1.00 53.44 H new ATOM 0 HG22 ILE A 94 24.727 -22.824 -27.756 1.00 53.44 H new ATOM 0 HG23 ILE A 94 26.087 -23.222 -26.679 1.00 53.44 H new ATOM 0 HD11 ILE A 94 27.325 -19.082 -25.182 1.00 45.44 H new ATOM 0 HD12 ILE A 94 26.395 -18.697 -26.649 1.00 45.44 H new ATOM 0 HD13 ILE A 94 25.682 -19.733 -25.391 1.00 45.44 H new ATOM 1462 N HIS A 95 29.307 -22.270 -28.103 1.00 34.15 N ATOM 1463 CA HIS A 95 30.415 -23.091 -27.626 1.00 64.32 C ATOM 1464 C HIS A 95 31.056 -22.471 -26.388 1.00 64.02 C ATOM 1465 O HIS A 95 31.722 -21.439 -26.475 1.00 35.41 O ATOM 1466 CB HIS A 95 31.461 -23.262 -28.727 1.00 24.45 C ATOM 1467 CG HIS A 95 30.946 -23.979 -29.937 1.00 31.14 C ATOM 1468 ND1 HIS A 95 31.534 -25.118 -30.444 1.00 4.01 N ATOM 1469 CD2 HIS A 95 29.890 -23.713 -30.740 1.00 34.13 C ATOM 1470 CE1 HIS A 95 30.863 -25.521 -31.509 1.00 5.54 C ATOM 1471 NE2 HIS A 95 29.860 -24.686 -31.710 1.00 74.23 N ATOM 0 H HIS A 95 29.537 -21.285 -28.232 1.00 34.15 H new ATOM 0 HA HIS A 95 30.020 -24.071 -27.356 1.00 64.32 H new ATOM 0 HB2 HIS A 95 31.826 -22.279 -29.025 1.00 24.45 H new ATOM 0 HB3 HIS A 95 32.313 -23.810 -28.325 1.00 24.45 H new ATOM 0 HD1 HIS A 95 32.358 -25.578 -30.058 1.00 4.01 H new ATOM 0 HD2 HIS A 95 29.199 -22.889 -30.638 1.00 34.13 H new ATOM 0 HE1 HIS A 95 31.096 -26.386 -32.112 1.00 5.54 H new ATOM 1479 N VAL A 96 30.851 -23.106 -25.239 1.00 71.10 N ATOM 1480 CA VAL A 96 31.410 -22.617 -23.985 1.00 11.24 C ATOM 1481 C VAL A 96 32.738 -23.298 -23.672 1.00 23.32 C ATOM 1482 O VAL A 96 32.925 -24.479 -23.961 1.00 52.24 O ATOM 1483 CB VAL A 96 30.440 -22.844 -22.811 1.00 22.23 C ATOM 1484 CG1 VAL A 96 31.067 -22.387 -21.503 1.00 42.13 C ATOM 1485 CG2 VAL A 96 29.123 -22.123 -23.061 1.00 41.02 C ATOM 0 H VAL A 96 30.302 -23.961 -25.151 1.00 71.10 H new ATOM 0 HA VAL A 96 31.574 -21.547 -24.109 1.00 11.24 H new ATOM 0 HB VAL A 96 30.235 -23.912 -22.734 1.00 22.23 H new ATOM 0 HG11 VAL A 96 30.366 -22.555 -20.685 1.00 42.13 H new ATOM 0 HG12 VAL A 96 31.981 -22.953 -21.320 1.00 42.13 H new ATOM 0 HG13 VAL A 96 31.304 -21.325 -21.565 1.00 42.13 H new ATOM 0 HG21 VAL A 96 28.449 -22.294 -22.221 1.00 41.02 H new ATOM 0 HG22 VAL A 96 29.308 -21.054 -23.166 1.00 41.02 H new ATOM 0 HG23 VAL A 96 28.668 -22.504 -23.975 1.00 41.02 H new