USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=11 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= 1.17 X(o=0.46,f=0.22) USER MOD Set 1.2: A 91 ASN : amide:sc= -0.708 X(o=0.46,f=0.22) USER MOD Single : A 20 THR OG1 : rot 170:sc= -2! USER MOD Single : A 25 SER OG : rot 27:sc= 1.1 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -87:sc= -0.457 USER MOD Single : A 36 SER OG : rot 180:sc=-0.00499 USER MOD Single : A 38 ASN : amide:sc= -3.72! C(o=-3.7!,f=-9.1!) USER MOD Single : A 39 ASN : amide:sc=-0.00885 K(o=-0.0088,f=-0.9) USER MOD Single : A 41 SER OG : rot -48:sc= 0.0557 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -172:sc= 1.46 (180deg=1.26) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.46) USER MOD Single : A 64 HIS : no HD1:sc= -1.76 K(o=-1.8,f=-0.11) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 157:sc= 0.0172 (180deg=-0.672) USER MOD Single : A 73 GLN : amide:sc= -0.03 K(o=-0.03,f=-1.2!) USER MOD Single : A 76 HIS : no HD1:sc= -2.89 K(o=-2.9,f=-2) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.37 X(o=-0.37,f=-0.042) USER MOD Single : A 95 HIS : no HD1:sc= -5.12! C(o=-5.1!,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 233 N ALA A 17 30.102 -22.726 -13.594 1.00 12.42 N ATOM 234 CA ALA A 17 30.023 -22.609 -15.045 1.00 42.35 C ATOM 235 C ALA A 17 30.043 -21.147 -15.480 1.00 62.44 C ATOM 236 O ALA A 17 29.524 -20.275 -14.783 1.00 42.53 O ATOM 237 CB ALA A 17 28.768 -23.297 -15.562 1.00 33.33 C ATOM 0 HA ALA A 17 30.897 -23.101 -15.472 1.00 42.35 H new ATOM 0 HB1 ALA A 17 28.722 -23.202 -16.647 1.00 33.33 H new ATOM 0 HB2 ALA A 17 28.794 -24.352 -15.291 1.00 33.33 H new ATOM 0 HB3 ALA A 17 27.888 -22.830 -15.119 1.00 33.33 H new ATOM 243 N ARG A 18 30.646 -20.887 -16.635 1.00 70.43 N ATOM 244 CA ARG A 18 30.736 -19.530 -17.161 1.00 32.44 C ATOM 245 C ARG A 18 29.410 -19.098 -17.779 1.00 34.41 C ATOM 246 O ARG A 18 28.584 -19.921 -18.175 1.00 12.32 O ATOM 247 CB ARG A 18 31.852 -19.438 -18.204 1.00 12.31 C ATOM 248 CG ARG A 18 33.213 -19.109 -17.614 1.00 64.34 C ATOM 249 CD ARG A 18 33.835 -20.321 -16.938 1.00 1.20 C ATOM 250 NE ARG A 18 34.382 -19.994 -15.625 1.00 31.54 N ATOM 251 CZ ARG A 18 35.291 -20.737 -15.002 1.00 74.52 C ATOM 252 NH1 ARG A 18 35.752 -21.842 -15.571 1.00 5.14 N1+ ATOM 253 NH2 ARG A 18 35.742 -20.373 -13.808 1.00 25.53 N ATOM 0 H ARG A 18 31.079 -21.598 -17.224 1.00 70.43 H new ATOM 0 HA ARG A 18 30.966 -18.860 -16.333 1.00 32.44 H new ATOM 0 HB2 ARG A 18 31.917 -20.386 -18.738 1.00 12.31 H new ATOM 0 HB3 ARG A 18 31.590 -18.676 -18.938 1.00 12.31 H new ATOM 0 HG2 ARG A 18 33.875 -18.751 -18.402 1.00 64.34 H new ATOM 0 HG3 ARG A 18 33.111 -18.300 -16.891 1.00 64.34 H new ATOM 0 HD2 ARG A 18 33.083 -21.103 -16.833 1.00 1.20 H new ATOM 0 HD3 ARG A 18 34.627 -20.723 -17.571 1.00 1.20 H new ATOM 0 HE ARG A 18 34.049 -19.149 -15.160 1.00 31.54 H new ATOM 0 HH11 ARG A 18 35.409 -22.124 -16.489 1.00 5.14 H new ATOM 0 HH12 ARG A 18 36.450 -22.410 -15.090 1.00 5.14 H new ATOM 0 HH21 ARG A 18 35.391 -19.522 -13.368 1.00 25.53 H new ATOM 0 HH22 ARG A 18 36.440 -20.944 -13.331 1.00 25.53 H new ATOM 267 N PRO A 19 29.199 -17.776 -17.864 1.00 3.15 N ATOM 268 CA PRO A 19 27.975 -17.204 -18.433 1.00 23.40 C ATOM 269 C PRO A 19 27.882 -17.415 -19.940 1.00 70.32 C ATOM 270 O PRO A 19 28.881 -17.709 -20.600 1.00 5.33 O ATOM 271 CB PRO A 19 28.095 -15.713 -18.107 1.00 44.10 C ATOM 272 CG PRO A 19 29.560 -15.471 -17.977 1.00 71.22 C ATOM 273 CD PRO A 19 30.140 -16.738 -17.413 1.00 71.44 C ATOM 0 HA PRO A 19 27.079 -17.672 -18.026 1.00 23.40 H new ATOM 0 HB2 PRO A 19 27.661 -15.099 -18.896 1.00 44.10 H new ATOM 0 HB3 PRO A 19 27.569 -15.466 -17.185 1.00 44.10 H new ATOM 0 HG2 PRO A 19 30.004 -15.235 -18.944 1.00 71.22 H new ATOM 0 HG3 PRO A 19 29.759 -14.624 -17.320 1.00 71.22 H new ATOM 0 HD2 PRO A 19 31.148 -16.920 -17.787 1.00 71.44 H new ATOM 0 HD3 PRO A 19 30.205 -16.700 -16.326 1.00 71.44 H new ATOM 281 N THR A 20 26.678 -17.262 -20.481 1.00 62.41 N ATOM 282 CA THR A 20 26.455 -17.437 -21.912 1.00 11.43 C ATOM 283 C THR A 20 26.561 -16.107 -22.650 1.00 21.11 C ATOM 284 O THR A 20 26.369 -15.043 -22.063 1.00 33.42 O ATOM 285 CB THR A 20 25.075 -18.060 -22.193 1.00 72.41 C ATOM 286 OG1 THR A 20 25.004 -18.497 -23.554 1.00 51.10 O ATOM 287 CG2 THR A 20 23.963 -17.059 -21.919 1.00 52.22 C ATOM 0 H THR A 20 25.842 -17.017 -19.951 1.00 62.41 H new ATOM 0 HA THR A 20 27.230 -18.113 -22.274 1.00 11.43 H new ATOM 0 HB THR A 20 24.945 -18.915 -21.529 1.00 72.41 H new ATOM 0 HG1 THR A 20 24.194 -19.033 -23.684 1.00 51.10 H new ATOM 0 HG21 THR A 20 22.998 -17.522 -22.125 1.00 52.22 H new ATOM 0 HG22 THR A 20 24.002 -16.749 -20.875 1.00 52.22 H new ATOM 0 HG23 THR A 20 24.092 -16.188 -22.561 1.00 52.22 H new ATOM 295 N VAL A 21 26.867 -16.176 -23.942 1.00 64.42 N ATOM 296 CA VAL A 21 26.996 -14.977 -24.762 1.00 34.44 C ATOM 297 C VAL A 21 25.808 -14.826 -25.706 1.00 4.33 C ATOM 298 O VAL A 21 25.755 -15.463 -26.759 1.00 53.11 O ATOM 299 CB VAL A 21 28.295 -15.000 -25.589 1.00 74.51 C ATOM 300 CG1 VAL A 21 28.411 -13.742 -26.436 1.00 1.42 C ATOM 301 CG2 VAL A 21 29.503 -15.152 -24.677 1.00 42.33 C ATOM 0 H VAL A 21 27.030 -17.049 -24.443 1.00 64.42 H new ATOM 0 HA VAL A 21 27.024 -14.128 -24.079 1.00 34.44 H new ATOM 0 HB VAL A 21 28.264 -15.859 -26.260 1.00 74.51 H new ATOM 0 HG11 VAL A 21 29.335 -13.776 -27.013 1.00 1.42 H new ATOM 0 HG12 VAL A 21 27.561 -13.681 -27.115 1.00 1.42 H new ATOM 0 HG13 VAL A 21 28.421 -12.866 -25.787 1.00 1.42 H new ATOM 0 HG21 VAL A 21 30.413 -15.166 -25.277 1.00 42.33 H new ATOM 0 HG22 VAL A 21 29.541 -14.314 -23.981 1.00 42.33 H new ATOM 0 HG23 VAL A 21 29.422 -16.084 -24.118 1.00 42.33 H new ATOM 311 N ILE A 22 24.858 -13.981 -25.322 1.00 22.23 N ATOM 312 CA ILE A 22 23.671 -13.745 -26.135 1.00 2.23 C ATOM 313 C ILE A 22 23.422 -12.253 -26.325 1.00 11.25 C ATOM 314 O ILE A 22 23.575 -11.465 -25.391 1.00 71.43 O ATOM 315 CB ILE A 22 22.421 -14.387 -25.506 1.00 43.10 C ATOM 316 CG1 ILE A 22 22.310 -15.855 -25.922 1.00 14.22 C ATOM 317 CG2 ILE A 22 21.171 -13.621 -25.911 1.00 73.20 C ATOM 318 CD1 ILE A 22 22.891 -16.816 -24.908 1.00 75.24 C ATOM 0 H ILE A 22 24.887 -13.448 -24.453 1.00 22.23 H new ATOM 0 HA ILE A 22 23.857 -14.206 -27.105 1.00 2.23 H new ATOM 0 HB ILE A 22 22.516 -14.342 -24.421 1.00 43.10 H new ATOM 0 HG12 ILE A 22 21.260 -16.100 -26.083 1.00 14.22 H new ATOM 0 HG13 ILE A 22 22.820 -15.994 -26.876 1.00 14.22 H new ATOM 0 HG21 ILE A 22 20.296 -14.087 -25.458 1.00 73.20 H new ATOM 0 HG22 ILE A 22 21.250 -12.589 -25.569 1.00 73.20 H new ATOM 0 HG23 ILE A 22 21.070 -13.637 -26.996 1.00 73.20 H new ATOM 0 HD11 ILE A 22 22.777 -17.838 -25.269 1.00 75.24 H new ATOM 0 HD12 ILE A 22 23.949 -16.597 -24.764 1.00 75.24 H new ATOM 0 HD13 ILE A 22 22.365 -16.706 -23.959 1.00 75.24 H new ATOM 330 N ARG A 23 23.036 -11.873 -27.537 1.00 22.13 N ATOM 331 CA ARG A 23 22.764 -10.475 -27.850 1.00 2.21 C ATOM 332 C ARG A 23 21.762 -10.357 -28.995 1.00 24.52 C ATOM 333 O ARG A 23 22.096 -10.609 -30.152 1.00 2.42 O ATOM 334 CB ARG A 23 24.061 -9.750 -28.217 1.00 42.34 C ATOM 335 CG ARG A 23 24.918 -10.507 -29.218 1.00 24.01 C ATOM 336 CD ARG A 23 25.576 -9.564 -30.213 1.00 73.43 C ATOM 337 NE ARG A 23 27.034 -9.656 -30.173 1.00 13.23 N ATOM 338 CZ ARG A 23 27.781 -9.079 -29.239 1.00 71.22 C ATOM 339 NH1 ARG A 23 27.212 -8.371 -28.273 1.00 41.22 N1+ ATOM 340 NH2 ARG A 23 29.101 -9.208 -29.271 1.00 52.22 N ATOM 0 H ARG A 23 22.904 -12.514 -28.320 1.00 22.13 H new ATOM 0 HA ARG A 23 22.333 -10.009 -26.964 1.00 2.21 H new ATOM 0 HB2 ARG A 23 23.816 -8.771 -28.628 1.00 42.34 H new ATOM 0 HB3 ARG A 23 24.641 -9.579 -27.310 1.00 42.34 H new ATOM 0 HG2 ARG A 23 25.685 -11.072 -28.688 1.00 24.01 H new ATOM 0 HG3 ARG A 23 24.302 -11.230 -29.753 1.00 24.01 H new ATOM 0 HD2 ARG A 23 25.226 -9.796 -31.219 1.00 73.43 H new ATOM 0 HD3 ARG A 23 25.271 -8.540 -29.998 1.00 73.43 H new ATOM 0 HE ARG A 23 27.503 -10.193 -30.902 1.00 13.23 H new ATOM 0 HH11 ARG A 23 26.198 -8.268 -28.246 1.00 41.22 H new ATOM 0 HH12 ARG A 23 27.789 -7.929 -27.557 1.00 41.22 H new ATOM 0 HH21 ARG A 23 29.543 -9.751 -30.013 1.00 52.22 H new ATOM 0 HH22 ARG A 23 29.674 -8.765 -28.553 1.00 52.22 H new ATOM 354 N TRP A 24 20.535 -9.975 -28.663 1.00 71.11 N ATOM 355 CA TRP A 24 19.484 -9.825 -29.663 1.00 14.11 C ATOM 356 C TRP A 24 18.938 -8.402 -29.671 1.00 74.11 C ATOM 357 O TRP A 24 18.545 -7.872 -28.631 1.00 40.02 O ATOM 358 CB TRP A 24 18.351 -10.817 -29.396 1.00 23.53 C ATOM 359 CG TRP A 24 17.154 -10.602 -30.270 1.00 21.02 C ATOM 360 CD1 TRP A 24 16.134 -9.719 -30.060 1.00 70.23 C ATOM 361 CD2 TRP A 24 16.850 -11.285 -31.491 1.00 12.13 C ATOM 362 NE1 TRP A 24 15.215 -9.810 -31.078 1.00 1.03 N ATOM 363 CE2 TRP A 24 15.632 -10.764 -31.969 1.00 63.20 C ATOM 364 CE3 TRP A 24 17.491 -12.285 -32.230 1.00 55.20 C ATOM 365 CZ2 TRP A 24 15.044 -11.210 -33.149 1.00 23.31 C ATOM 366 CZ3 TRP A 24 16.905 -12.726 -33.400 1.00 13.34 C ATOM 367 CH2 TRP A 24 15.692 -12.189 -33.851 1.00 42.54 C ATOM 0 H TRP A 24 20.243 -9.763 -27.709 1.00 71.11 H new ATOM 0 HA TRP A 24 19.917 -10.033 -30.641 1.00 14.11 H new ATOM 0 HB2 TRP A 24 18.723 -11.831 -29.545 1.00 23.53 H new ATOM 0 HB3 TRP A 24 18.048 -10.739 -28.352 1.00 23.53 H new ATOM 0 HD1 TRP A 24 16.060 -9.047 -29.217 1.00 70.23 H new ATOM 0 HE1 TRP A 24 14.361 -9.257 -31.157 1.00 1.03 H new ATOM 0 HE3 TRP A 24 18.427 -12.704 -31.892 1.00 55.20 H new ATOM 0 HZ2 TRP A 24 14.109 -10.798 -33.498 1.00 23.31 H new ATOM 0 HZ3 TRP A 24 17.390 -13.499 -33.978 1.00 13.34 H new ATOM 0 HH2 TRP A 24 15.260 -12.555 -34.771 1.00 42.54 H new ATOM 378 N SER A 25 18.917 -7.787 -30.849 1.00 14.13 N ATOM 379 CA SER A 25 18.422 -6.422 -30.990 1.00 42.24 C ATOM 380 C SER A 25 17.422 -6.323 -32.139 1.00 64.44 C ATOM 381 O SER A 25 17.795 -6.401 -33.308 1.00 51.21 O ATOM 382 CB SER A 25 19.586 -5.458 -31.228 1.00 73.05 C ATOM 383 OG SER A 25 20.201 -5.700 -32.481 1.00 65.11 O ATOM 0 H SER A 25 19.237 -8.212 -31.719 1.00 14.13 H new ATOM 0 HA SER A 25 17.915 -6.148 -30.065 1.00 42.24 H new ATOM 0 HB2 SER A 25 19.225 -4.430 -31.189 1.00 73.05 H new ATOM 0 HB3 SER A 25 20.322 -5.568 -30.431 1.00 73.05 H new ATOM 0 HG SER A 25 19.546 -6.090 -33.097 1.00 65.11 H new ATOM 389 N GLU A 26 16.149 -6.152 -31.794 1.00 53.54 N ATOM 390 CA GLU A 26 15.095 -6.044 -32.795 1.00 53.15 C ATOM 391 C GLU A 26 14.070 -4.987 -32.393 1.00 73.25 C ATOM 392 O GLU A 26 13.922 -3.964 -33.061 1.00 53.42 O ATOM 393 CB GLU A 26 14.403 -7.395 -32.987 1.00 25.03 C ATOM 394 CG GLU A 26 13.575 -7.479 -34.259 1.00 61.21 C ATOM 395 CD GLU A 26 14.430 -7.485 -35.512 1.00 62.40 C ATOM 396 OE1 GLU A 26 15.670 -7.402 -35.386 1.00 63.14 O1- ATOM 397 OE2 GLU A 26 13.858 -7.574 -36.619 1.00 31.44 O ATOM 0 H GLU A 26 15.824 -6.085 -30.830 1.00 53.54 H new ATOM 0 HA GLU A 26 15.553 -5.742 -33.737 1.00 53.15 H new ATOM 0 HB2 GLU A 26 15.158 -8.181 -33.002 1.00 25.03 H new ATOM 0 HB3 GLU A 26 13.758 -7.588 -32.130 1.00 25.03 H new ATOM 0 HG2 GLU A 26 12.968 -8.384 -34.234 1.00 61.21 H new ATOM 0 HG3 GLU A 26 12.887 -6.634 -34.297 1.00 61.21 H new ATOM 404 N GLY A 27 13.364 -5.243 -31.296 1.00 44.43 N ATOM 405 CA GLY A 27 12.361 -4.306 -30.824 1.00 31.34 C ATOM 406 C GLY A 27 11.010 -4.961 -30.615 1.00 63.32 C ATOM 407 O GLY A 27 9.972 -4.359 -30.888 1.00 61.55 O ATOM 0 H GLY A 27 13.469 -6.082 -30.726 1.00 44.43 H new ATOM 0 HA2 GLY A 27 12.695 -3.862 -29.886 1.00 31.34 H new ATOM 0 HA3 GLY A 27 12.260 -3.493 -31.543 1.00 31.34 H new ATOM 411 N GLY A 28 11.022 -6.199 -30.128 1.00 21.34 N ATOM 412 CA GLY A 28 9.782 -6.916 -29.892 1.00 62.33 C ATOM 413 C GLY A 28 9.145 -6.551 -28.566 1.00 50.05 C ATOM 414 O GLY A 28 9.429 -5.494 -28.002 1.00 23.31 O ATOM 0 H GLY A 28 11.868 -6.718 -29.893 1.00 21.34 H new ATOM 0 HA2 GLY A 28 9.082 -6.701 -30.699 1.00 62.33 H new ATOM 0 HA3 GLY A 28 9.976 -7.988 -29.916 1.00 62.33 H new ATOM 418 N LYS A 29 8.279 -7.426 -28.067 1.00 15.42 N ATOM 419 CA LYS A 29 7.598 -7.193 -26.799 1.00 45.44 C ATOM 420 C LYS A 29 8.203 -8.048 -25.691 1.00 12.10 C ATOM 421 O LYS A 29 8.216 -7.652 -24.526 1.00 63.53 O ATOM 422 CB LYS A 29 6.105 -7.496 -26.935 1.00 41.32 C ATOM 423 CG LYS A 29 5.394 -6.614 -27.947 1.00 72.44 C ATOM 424 CD LYS A 29 3.923 -6.446 -27.603 1.00 52.45 C ATOM 425 CE LYS A 29 3.711 -5.333 -26.589 1.00 71.52 C ATOM 426 NZ LYS A 29 2.269 -5.139 -26.271 1.00 53.32 N1+ ATOM 0 H LYS A 29 8.032 -8.305 -28.522 1.00 15.42 H new ATOM 0 HA LYS A 29 7.726 -6.143 -26.534 1.00 45.44 H new ATOM 0 HB2 LYS A 29 5.980 -8.540 -27.224 1.00 41.32 H new ATOM 0 HB3 LYS A 29 5.628 -7.375 -25.962 1.00 41.32 H new ATOM 0 HG2 LYS A 29 5.875 -5.636 -27.981 1.00 72.44 H new ATOM 0 HG3 LYS A 29 5.489 -7.050 -28.941 1.00 72.44 H new ATOM 0 HD2 LYS A 29 3.359 -6.226 -28.510 1.00 52.45 H new ATOM 0 HD3 LYS A 29 3.532 -7.382 -27.204 1.00 52.45 H new ATOM 0 HE2 LYS A 29 4.256 -5.566 -25.674 1.00 71.52 H new ATOM 0 HE3 LYS A 29 4.125 -4.403 -26.979 1.00 71.52 H new ATOM 0 HZ1 LYS A 29 2.167 -4.372 -25.576 1.00 53.32 H new ATOM 0 HZ2 LYS A 29 1.752 -4.891 -27.139 1.00 53.32 H new ATOM 0 HZ3 LYS A 29 1.879 -6.018 -25.875 1.00 53.32 H new ATOM 440 N GLU A 30 8.706 -9.221 -26.062 1.00 44.21 N ATOM 441 CA GLU A 30 9.313 -10.132 -25.099 1.00 11.54 C ATOM 442 C GLU A 30 10.262 -11.104 -25.792 1.00 2.32 C ATOM 443 O GLU A 30 9.917 -11.710 -26.807 1.00 51.51 O ATOM 444 CB GLU A 30 8.230 -10.909 -24.345 1.00 14.34 C ATOM 445 CG GLU A 30 7.456 -11.878 -25.221 1.00 21.41 C ATOM 446 CD GLU A 30 6.188 -12.379 -24.557 1.00 54.10 C ATOM 447 OE1 GLU A 30 5.834 -11.854 -23.481 1.00 74.24 O1- ATOM 448 OE2 GLU A 30 5.550 -13.297 -25.114 1.00 2.20 O ATOM 0 H GLU A 30 8.705 -9.563 -27.023 1.00 44.21 H new ATOM 0 HA GLU A 30 9.886 -9.538 -24.387 1.00 11.54 H new ATOM 0 HB2 GLU A 30 8.693 -11.462 -23.528 1.00 14.34 H new ATOM 0 HB3 GLU A 30 7.533 -10.201 -23.896 1.00 14.34 H new ATOM 0 HG2 GLU A 30 7.201 -11.388 -26.161 1.00 21.41 H new ATOM 0 HG3 GLU A 30 8.093 -12.728 -25.467 1.00 21.41 H new ATOM 455 N VAL A 31 11.461 -11.249 -25.237 1.00 1.21 N ATOM 456 CA VAL A 31 12.462 -12.148 -25.801 1.00 20.01 C ATOM 457 C VAL A 31 12.881 -13.208 -24.788 1.00 24.24 C ATOM 458 O VAL A 31 13.170 -12.897 -23.632 1.00 60.13 O ATOM 459 CB VAL A 31 13.710 -11.376 -26.267 1.00 74.23 C ATOM 460 CG1 VAL A 31 14.698 -12.317 -26.940 1.00 21.21 C ATOM 461 CG2 VAL A 31 13.317 -10.243 -27.203 1.00 53.33 C ATOM 0 H VAL A 31 11.763 -10.755 -24.397 1.00 1.21 H new ATOM 0 HA VAL A 31 12.003 -12.634 -26.662 1.00 20.01 H new ATOM 0 HB VAL A 31 14.196 -10.942 -25.393 1.00 74.23 H new ATOM 0 HG11 VAL A 31 15.574 -11.754 -27.263 1.00 21.21 H new ATOM 0 HG12 VAL A 31 15.003 -13.090 -26.234 1.00 21.21 H new ATOM 0 HG13 VAL A 31 14.226 -12.782 -27.805 1.00 21.21 H new ATOM 0 HG21 VAL A 31 14.211 -9.708 -27.522 1.00 53.33 H new ATOM 0 HG22 VAL A 31 12.808 -10.652 -28.076 1.00 53.33 H new ATOM 0 HG23 VAL A 31 12.650 -9.556 -26.683 1.00 53.33 H new ATOM 471 N PHE A 32 12.914 -14.461 -25.229 1.00 63.42 N ATOM 472 CA PHE A 32 13.298 -15.568 -24.362 1.00 64.12 C ATOM 473 C PHE A 32 14.276 -16.500 -25.070 1.00 21.54 C ATOM 474 O PHE A 32 14.256 -16.623 -26.295 1.00 42.43 O ATOM 475 CB PHE A 32 12.059 -16.349 -23.918 1.00 75.51 C ATOM 476 CG PHE A 32 11.158 -15.574 -23.001 1.00 43.43 C ATOM 477 CD1 PHE A 32 11.368 -15.579 -21.632 1.00 72.34 C ATOM 478 CD2 PHE A 32 10.098 -14.840 -23.510 1.00 62.05 C ATOM 479 CE1 PHE A 32 10.540 -14.867 -20.786 1.00 32.23 C ATOM 480 CE2 PHE A 32 9.267 -14.124 -22.669 1.00 3.23 C ATOM 481 CZ PHE A 32 9.487 -14.139 -21.305 1.00 24.12 C ATOM 0 H PHE A 32 12.679 -14.735 -26.183 1.00 63.42 H new ATOM 0 HA PHE A 32 13.792 -15.154 -23.483 1.00 64.12 H new ATOM 0 HB2 PHE A 32 11.494 -16.650 -24.800 1.00 75.51 H new ATOM 0 HB3 PHE A 32 12.376 -17.263 -23.415 1.00 75.51 H new ATOM 0 HD1 PHE A 32 12.190 -16.147 -21.221 1.00 72.34 H new ATOM 0 HD2 PHE A 32 9.920 -14.827 -24.575 1.00 62.05 H new ATOM 0 HE1 PHE A 32 10.716 -14.880 -19.720 1.00 32.23 H new ATOM 0 HE2 PHE A 32 8.446 -13.553 -23.078 1.00 3.23 H new ATOM 0 HZ PHE A 32 8.837 -13.583 -20.646 1.00 24.12 H new ATOM 491 N ILE A 33 15.130 -17.153 -24.291 1.00 13.35 N ATOM 492 CA ILE A 33 16.116 -18.075 -24.844 1.00 22.33 C ATOM 493 C ILE A 33 15.950 -19.473 -24.257 1.00 62.43 C ATOM 494 O ILE A 33 15.641 -19.630 -23.075 1.00 63.03 O ATOM 495 CB ILE A 33 17.553 -17.588 -24.581 1.00 13.21 C ATOM 496 CG1 ILE A 33 18.562 -18.516 -25.259 1.00 10.32 C ATOM 497 CG2 ILE A 33 17.820 -17.508 -23.085 1.00 22.30 C ATOM 498 CD1 ILE A 33 20.002 -18.173 -24.948 1.00 22.31 C ATOM 0 H ILE A 33 15.160 -17.062 -23.276 1.00 13.35 H new ATOM 0 HA ILE A 33 15.945 -18.112 -25.920 1.00 22.33 H new ATOM 0 HB ILE A 33 17.665 -16.590 -25.004 1.00 13.21 H new ATOM 0 HG12 ILE A 33 18.366 -19.542 -24.948 1.00 10.32 H new ATOM 0 HG13 ILE A 33 18.412 -18.476 -26.338 1.00 10.32 H new ATOM 0 HG21 ILE A 33 18.840 -17.162 -22.915 1.00 22.30 H new ATOM 0 HG22 ILE A 33 17.119 -16.810 -22.627 1.00 22.30 H new ATOM 0 HG23 ILE A 33 17.693 -18.495 -22.639 1.00 22.30 H new ATOM 0 HD11 ILE A 33 20.662 -18.872 -25.462 1.00 22.31 H new ATOM 0 HD12 ILE A 33 20.215 -17.158 -25.285 1.00 22.31 H new ATOM 0 HD13 ILE A 33 20.168 -18.241 -23.873 1.00 22.31 H new ATOM 510 N SER A 34 16.159 -20.487 -25.090 1.00 25.03 N ATOM 511 CA SER A 34 16.032 -21.873 -24.655 1.00 60.30 C ATOM 512 C SER A 34 16.998 -22.774 -25.418 1.00 10.42 C ATOM 513 O SER A 34 17.178 -22.628 -26.626 1.00 43.22 O ATOM 514 CB SER A 34 14.596 -22.362 -24.854 1.00 31.12 C ATOM 515 OG SER A 34 13.695 -21.650 -24.025 1.00 65.53 O ATOM 0 H SER A 34 16.417 -20.375 -26.070 1.00 25.03 H new ATOM 0 HA SER A 34 16.281 -21.919 -23.595 1.00 60.30 H new ATOM 0 HB2 SER A 34 14.308 -22.240 -25.898 1.00 31.12 H new ATOM 0 HB3 SER A 34 14.537 -23.427 -24.630 1.00 31.12 H new ATOM 0 HG SER A 34 13.638 -22.089 -23.151 1.00 65.53 H new ATOM 521 N GLY A 35 17.620 -23.706 -24.702 1.00 50.42 N ATOM 522 CA GLY A 35 18.560 -24.618 -25.327 1.00 51.10 C ATOM 523 C GLY A 35 18.599 -25.970 -24.644 1.00 32.54 C ATOM 524 O GLY A 35 17.798 -26.245 -23.751 1.00 42.30 O ATOM 0 H GLY A 35 17.490 -23.846 -23.700 1.00 50.42 H new ATOM 0 HA2 GLY A 35 18.290 -24.752 -26.374 1.00 51.10 H new ATOM 0 HA3 GLY A 35 19.556 -24.176 -25.309 1.00 51.10 H new ATOM 528 N SER A 36 19.531 -26.818 -25.067 1.00 50.42 N ATOM 529 CA SER A 36 19.666 -28.153 -24.494 1.00 60.21 C ATOM 530 C SER A 36 20.140 -28.076 -23.046 1.00 34.32 C ATOM 531 O SER A 36 20.019 -29.041 -22.289 1.00 45.21 O ATOM 532 CB SER A 36 20.647 -28.987 -25.319 1.00 64.21 C ATOM 533 OG SER A 36 21.279 -29.971 -24.519 1.00 43.11 O ATOM 0 H SER A 36 20.203 -26.605 -25.804 1.00 50.42 H new ATOM 0 HA SER A 36 18.687 -28.631 -24.513 1.00 60.21 H new ATOM 0 HB2 SER A 36 20.118 -29.468 -26.142 1.00 64.21 H new ATOM 0 HB3 SER A 36 21.400 -28.335 -25.762 1.00 64.21 H new ATOM 0 HG SER A 36 21.900 -30.491 -25.070 1.00 43.11 H new ATOM 539 N PHE A 37 20.680 -26.923 -22.666 1.00 5.12 N ATOM 540 CA PHE A 37 21.173 -26.719 -21.309 1.00 1.32 C ATOM 541 C PHE A 37 20.040 -26.843 -20.294 1.00 52.10 C ATOM 542 O PHE A 37 20.279 -27.024 -19.101 1.00 24.42 O ATOM 543 CB PHE A 37 21.834 -25.345 -21.185 1.00 52.43 C ATOM 544 CG PHE A 37 20.948 -24.211 -21.616 1.00 52.44 C ATOM 545 CD1 PHE A 37 20.022 -23.668 -20.741 1.00 64.24 C ATOM 546 CD2 PHE A 37 21.042 -23.689 -22.895 1.00 12.31 C ATOM 547 CE1 PHE A 37 19.205 -22.625 -21.134 1.00 64.25 C ATOM 548 CE2 PHE A 37 20.228 -22.646 -23.294 1.00 24.25 C ATOM 549 CZ PHE A 37 19.308 -22.113 -22.412 1.00 63.21 C ATOM 0 H PHE A 37 20.787 -26.115 -23.279 1.00 5.12 H new ATOM 0 HA PHE A 37 21.913 -27.491 -21.098 1.00 1.32 H new ATOM 0 HB2 PHE A 37 22.134 -25.187 -20.149 1.00 52.43 H new ATOM 0 HB3 PHE A 37 22.744 -25.333 -21.785 1.00 52.43 H new ATOM 0 HD1 PHE A 37 19.937 -24.064 -19.740 1.00 64.24 H new ATOM 0 HD2 PHE A 37 21.760 -24.102 -23.589 1.00 12.31 H new ATOM 0 HE1 PHE A 37 18.487 -22.211 -20.442 1.00 64.25 H new ATOM 0 HE2 PHE A 37 20.311 -22.248 -24.295 1.00 24.25 H new ATOM 0 HZ PHE A 37 18.671 -21.298 -22.721 1.00 63.21 H new ATOM 559 N ASN A 38 18.807 -26.745 -20.778 1.00 73.11 N ATOM 560 CA ASN A 38 17.636 -26.845 -19.914 1.00 10.42 C ATOM 561 C ASN A 38 16.636 -27.855 -20.468 1.00 21.43 C ATOM 562 O ASN A 38 15.490 -27.916 -20.025 1.00 31.21 O ATOM 563 CB ASN A 38 16.966 -25.477 -19.767 1.00 72.03 C ATOM 564 CG ASN A 38 16.017 -25.171 -20.909 1.00 64.24 C ATOM 565 OD1 ASN A 38 14.831 -25.497 -20.849 1.00 35.42 O ATOM 566 ND2 ASN A 38 16.536 -24.544 -21.958 1.00 44.21 N ATOM 0 H ASN A 38 18.592 -26.596 -21.764 1.00 73.11 H new ATOM 0 HA ASN A 38 17.967 -27.188 -18.934 1.00 10.42 H new ATOM 0 HB2 ASN A 38 16.419 -25.443 -18.825 1.00 72.03 H new ATOM 0 HB3 ASN A 38 17.733 -24.704 -19.718 1.00 72.03 H new ATOM 0 HD21 ASN A 38 15.946 -24.313 -22.758 1.00 44.21 H new ATOM 0 HD22 ASN A 38 17.525 -24.293 -21.964 1.00 44.21 H new ATOM 573 N ASN A 39 17.080 -28.648 -21.437 1.00 32.24 N ATOM 574 CA ASN A 39 16.224 -29.657 -22.052 1.00 20.50 C ATOM 575 C ASN A 39 15.038 -29.008 -22.757 1.00 23.03 C ATOM 576 O ASN A 39 14.019 -29.654 -23.002 1.00 14.24 O ATOM 577 CB ASN A 39 15.725 -30.644 -20.994 1.00 75.11 C ATOM 578 CG ASN A 39 15.433 -32.015 -21.575 1.00 4.44 C ATOM 579 OD1 ASN A 39 15.189 -32.154 -22.773 1.00 63.34 O ATOM 580 ND2 ASN A 39 15.457 -33.035 -20.724 1.00 64.12 N ATOM 0 H ASN A 39 18.027 -28.612 -21.814 1.00 32.24 H new ATOM 0 HA ASN A 39 16.814 -30.196 -22.794 1.00 20.50 H new ATOM 0 HB2 ASN A 39 16.473 -30.738 -20.207 1.00 75.11 H new ATOM 0 HB3 ASN A 39 14.821 -30.249 -20.530 1.00 75.11 H new ATOM 0 HD21 ASN A 39 15.268 -33.981 -21.056 1.00 64.12 H new ATOM 0 HD22 ASN A 39 15.664 -32.872 -19.739 1.00 64.12 H new ATOM 587 N TRP A 40 15.179 -27.728 -23.083 1.00 1.42 N ATOM 588 CA TRP A 40 14.119 -26.991 -23.761 1.00 70.44 C ATOM 589 C TRP A 40 12.792 -27.143 -23.026 1.00 14.41 C ATOM 590 O TRP A 40 11.730 -27.184 -23.645 1.00 75.11 O ATOM 591 CB TRP A 40 13.975 -27.479 -25.204 1.00 13.40 C ATOM 592 CG TRP A 40 15.272 -27.508 -25.954 1.00 42.11 C ATOM 593 CD1 TRP A 40 16.275 -28.427 -25.820 1.00 21.54 C ATOM 594 CD2 TRP A 40 15.709 -26.578 -26.950 1.00 5.34 C ATOM 595 NE1 TRP A 40 17.307 -28.124 -26.675 1.00 63.33 N ATOM 596 CE2 TRP A 40 16.984 -26.995 -27.380 1.00 3.45 C ATOM 597 CE3 TRP A 40 15.146 -25.435 -27.524 1.00 11.54 C ATOM 598 CZ2 TRP A 40 17.703 -26.306 -28.353 1.00 62.33 C ATOM 599 CZ3 TRP A 40 15.861 -24.752 -28.490 1.00 53.04 C ATOM 600 CH2 TRP A 40 17.127 -25.190 -28.897 1.00 62.54 C ATOM 0 H TRP A 40 16.017 -27.179 -22.889 1.00 1.42 H new ATOM 0 HA TRP A 40 14.390 -25.935 -23.766 1.00 70.44 H new ATOM 0 HB2 TRP A 40 13.544 -28.480 -25.200 1.00 13.40 H new ATOM 0 HB3 TRP A 40 13.274 -26.832 -25.730 1.00 13.40 H new ATOM 0 HD1 TRP A 40 16.259 -29.267 -25.142 1.00 21.54 H new ATOM 0 HE1 TRP A 40 18.173 -28.654 -26.769 1.00 63.33 H new ATOM 0 HE3 TRP A 40 14.169 -25.091 -27.218 1.00 11.54 H new ATOM 0 HZ2 TRP A 40 18.681 -26.640 -28.667 1.00 62.33 H new ATOM 0 HZ3 TRP A 40 15.436 -23.866 -28.938 1.00 53.04 H new ATOM 0 HH2 TRP A 40 17.660 -24.636 -29.656 1.00 62.54 H new ATOM 611 N SER A 41 12.862 -27.228 -21.701 1.00 25.55 N ATOM 612 CA SER A 41 11.665 -27.380 -20.882 1.00 24.31 C ATOM 613 C SER A 41 11.360 -26.092 -20.123 1.00 73.12 C ATOM 614 O SER A 41 10.544 -26.078 -19.201 1.00 72.53 O ATOM 615 CB SER A 41 11.841 -28.536 -19.895 1.00 23.43 C ATOM 616 OG SER A 41 10.586 -29.035 -19.465 1.00 55.35 O ATOM 0 H SER A 41 13.734 -27.194 -21.173 1.00 25.55 H new ATOM 0 HA SER A 41 10.827 -27.600 -21.543 1.00 24.31 H new ATOM 0 HB2 SER A 41 12.412 -29.336 -20.366 1.00 23.43 H new ATOM 0 HB3 SER A 41 12.416 -28.198 -19.033 1.00 23.43 H new ATOM 0 HG SER A 41 10.010 -28.288 -19.201 1.00 55.35 H new ATOM 622 N THR A 42 12.021 -25.008 -20.519 1.00 74.23 N ATOM 623 CA THR A 42 11.822 -23.715 -19.878 1.00 14.13 C ATOM 624 C THR A 42 12.421 -22.589 -20.713 1.00 20.24 C ATOM 625 O THR A 42 13.437 -22.772 -21.384 1.00 53.41 O ATOM 626 CB THR A 42 12.448 -23.683 -18.470 1.00 54.43 C ATOM 627 OG1 THR A 42 12.257 -22.394 -17.878 1.00 52.32 O ATOM 628 CG2 THR A 42 13.934 -24.003 -18.532 1.00 23.45 C ATOM 0 H THR A 42 12.699 -25.001 -21.281 1.00 74.23 H new ATOM 0 HA THR A 42 10.745 -23.568 -19.793 1.00 14.13 H new ATOM 0 HB THR A 42 11.954 -24.439 -17.859 1.00 54.43 H new ATOM 0 HG1 THR A 42 12.656 -22.383 -16.983 1.00 52.32 H new ATOM 0 HG21 THR A 42 14.355 -23.975 -17.527 1.00 23.45 H new ATOM 0 HG22 THR A 42 14.075 -24.997 -18.956 1.00 23.45 H new ATOM 0 HG23 THR A 42 14.439 -23.267 -19.157 1.00 23.45 H new ATOM 636 N LYS A 43 11.786 -21.423 -20.668 1.00 1.11 N ATOM 637 CA LYS A 43 12.256 -20.265 -21.418 1.00 64.11 C ATOM 638 C LYS A 43 12.954 -19.268 -20.500 1.00 3.12 C ATOM 639 O LYS A 43 12.343 -18.729 -19.576 1.00 72.24 O ATOM 640 CB LYS A 43 11.087 -19.586 -22.133 1.00 65.14 C ATOM 641 CG LYS A 43 11.014 -19.902 -23.618 1.00 42.20 C ATOM 642 CD LYS A 43 10.058 -18.968 -24.340 1.00 2.13 C ATOM 643 CE LYS A 43 8.948 -19.739 -25.039 1.00 63.12 C ATOM 644 NZ LYS A 43 7.625 -19.075 -24.878 1.00 4.54 N1+ ATOM 0 H LYS A 43 10.943 -21.255 -20.119 1.00 1.11 H new ATOM 0 HA LYS A 43 12.975 -20.612 -22.160 1.00 64.11 H new ATOM 0 HB2 LYS A 43 10.155 -19.893 -21.659 1.00 65.14 H new ATOM 0 HB3 LYS A 43 11.170 -18.507 -22.004 1.00 65.14 H new ATOM 0 HG2 LYS A 43 12.008 -19.818 -24.058 1.00 42.20 H new ATOM 0 HG3 LYS A 43 10.690 -20.934 -23.756 1.00 42.20 H new ATOM 0 HD2 LYS A 43 9.623 -18.268 -23.627 1.00 2.13 H new ATOM 0 HD3 LYS A 43 10.608 -18.377 -25.072 1.00 2.13 H new ATOM 0 HE2 LYS A 43 9.182 -19.830 -26.100 1.00 63.12 H new ATOM 0 HE3 LYS A 43 8.898 -20.750 -24.635 1.00 63.12 H new ATOM 0 HZ1 LYS A 43 6.878 -19.696 -25.249 1.00 4.54 H new ATOM 0 HZ2 LYS A 43 7.451 -18.888 -23.870 1.00 4.54 H new ATOM 0 HZ3 LYS A 43 7.621 -18.177 -25.402 1.00 4.54 H new ATOM 658 N ILE A 44 14.234 -19.025 -20.760 1.00 22.14 N ATOM 659 CA ILE A 44 15.012 -18.089 -19.958 1.00 54.22 C ATOM 660 C ILE A 44 14.778 -16.651 -20.408 1.00 22.01 C ATOM 661 O ILE A 44 14.817 -16.333 -21.596 1.00 31.33 O ATOM 662 CB ILE A 44 16.519 -18.400 -20.034 1.00 4.25 C ATOM 663 CG1 ILE A 44 16.875 -19.543 -19.080 1.00 44.15 C ATOM 664 CG2 ILE A 44 17.333 -17.157 -19.708 1.00 14.54 C ATOM 665 CD1 ILE A 44 16.284 -20.874 -19.486 1.00 62.32 C ATOM 0 H ILE A 44 14.754 -19.463 -21.520 1.00 22.14 H new ATOM 0 HA ILE A 44 14.677 -18.203 -18.927 1.00 54.22 H new ATOM 0 HB ILE A 44 16.760 -18.712 -21.050 1.00 4.25 H new ATOM 0 HG12 ILE A 44 17.960 -19.637 -19.027 1.00 44.15 H new ATOM 0 HG13 ILE A 44 16.528 -19.291 -18.078 1.00 44.15 H new ATOM 0 HG21 ILE A 44 18.396 -17.393 -19.766 1.00 14.54 H new ATOM 0 HG22 ILE A 44 17.096 -16.369 -20.423 1.00 14.54 H new ATOM 0 HG23 ILE A 44 17.091 -16.817 -18.701 1.00 14.54 H new ATOM 0 HD11 ILE A 44 16.577 -21.637 -18.765 1.00 62.32 H new ATOM 0 HD12 ILE A 44 15.197 -20.797 -19.511 1.00 62.32 H new ATOM 0 HD13 ILE A 44 16.651 -21.149 -20.475 1.00 62.32 H new ATOM 677 N PRO A 45 14.529 -15.760 -19.436 1.00 72.14 N ATOM 678 CA PRO A 45 14.286 -14.340 -19.707 1.00 74.30 C ATOM 679 C PRO A 45 15.541 -13.618 -20.184 1.00 3.41 C ATOM 680 O PRO A 45 16.643 -13.882 -19.701 1.00 31.12 O ATOM 681 CB PRO A 45 13.836 -13.792 -18.352 1.00 2.44 C ATOM 682 CG PRO A 45 14.441 -14.713 -17.351 1.00 44.21 C ATOM 683 CD PRO A 45 14.468 -16.070 -17.998 1.00 20.33 C ATOM 0 HA PRO A 45 13.556 -14.196 -20.503 1.00 74.30 H new ATOM 0 HB2 PRO A 45 14.179 -12.768 -18.206 1.00 2.44 H new ATOM 0 HB3 PRO A 45 12.749 -13.779 -18.272 1.00 2.44 H new ATOM 0 HG2 PRO A 45 15.446 -14.390 -17.081 1.00 44.21 H new ATOM 0 HG3 PRO A 45 13.854 -14.730 -16.432 1.00 44.21 H new ATOM 0 HD2 PRO A 45 15.331 -16.652 -17.675 1.00 20.33 H new ATOM 0 HD3 PRO A 45 13.580 -16.652 -17.749 1.00 20.33 H new ATOM 691 N LEU A 46 15.369 -12.706 -21.134 1.00 64.14 N ATOM 692 CA LEU A 46 16.488 -11.944 -21.676 1.00 65.52 C ATOM 693 C LEU A 46 16.556 -10.555 -21.051 1.00 32.13 C ATOM 694 O LEU A 46 15.739 -9.685 -21.356 1.00 65.14 O ATOM 695 CB LEU A 46 16.361 -11.825 -23.197 1.00 61.33 C ATOM 696 CG LEU A 46 17.326 -12.680 -24.019 1.00 32.01 C ATOM 697 CD1 LEU A 46 16.820 -14.110 -24.120 1.00 34.30 C ATOM 698 CD2 LEU A 46 17.520 -12.081 -25.405 1.00 72.32 C ATOM 0 H LEU A 46 14.464 -12.476 -21.545 1.00 64.14 H new ATOM 0 HA LEU A 46 17.408 -12.476 -21.434 1.00 65.52 H new ATOM 0 HB2 LEU A 46 15.342 -12.090 -23.478 1.00 61.33 H new ATOM 0 HB3 LEU A 46 16.507 -10.781 -23.473 1.00 61.33 H new ATOM 0 HG LEU A 46 18.291 -12.694 -23.512 1.00 32.01 H new ATOM 0 HD11 LEU A 46 17.520 -14.703 -24.709 1.00 34.30 H new ATOM 0 HD12 LEU A 46 16.734 -14.537 -23.121 1.00 34.30 H new ATOM 0 HD13 LEU A 46 15.843 -14.117 -24.603 1.00 34.30 H new ATOM 0 HD21 LEU A 46 18.210 -12.702 -25.977 1.00 72.32 H new ATOM 0 HD22 LEU A 46 16.560 -12.036 -25.920 1.00 72.32 H new ATOM 0 HD23 LEU A 46 17.929 -11.075 -25.313 1.00 72.32 H new ATOM 710 N ILE A 47 17.534 -10.353 -20.174 1.00 14.12 N ATOM 711 CA ILE A 47 17.709 -9.069 -19.507 1.00 74.30 C ATOM 712 C ILE A 47 17.742 -7.926 -20.517 1.00 14.44 C ATOM 713 O ILE A 47 18.730 -7.739 -21.229 1.00 31.41 O ATOM 714 CB ILE A 47 19.004 -9.039 -18.674 1.00 0.44 C ATOM 715 CG1 ILE A 47 18.988 -10.155 -17.627 1.00 30.24 C ATOM 716 CG2 ILE A 47 19.174 -7.683 -18.007 1.00 33.01 C ATOM 717 CD1 ILE A 47 17.833 -10.056 -16.656 1.00 44.14 C ATOM 0 H ILE A 47 18.217 -11.062 -19.909 1.00 14.12 H new ATOM 0 HA ILE A 47 16.855 -8.940 -18.842 1.00 74.30 H new ATOM 0 HB ILE A 47 19.851 -9.203 -19.340 1.00 0.44 H new ATOM 0 HG12 ILE A 47 18.943 -11.118 -18.135 1.00 30.24 H new ATOM 0 HG13 ILE A 47 19.924 -10.132 -17.069 1.00 30.24 H new ATOM 0 HG21 ILE A 47 20.094 -7.678 -17.422 1.00 33.01 H new ATOM 0 HG22 ILE A 47 19.225 -6.906 -18.770 1.00 33.01 H new ATOM 0 HG23 ILE A 47 18.325 -7.492 -17.350 1.00 33.01 H new ATOM 0 HD11 ILE A 47 17.885 -10.879 -15.943 1.00 44.14 H new ATOM 0 HD12 ILE A 47 17.888 -9.108 -16.121 1.00 44.14 H new ATOM 0 HD13 ILE A 47 16.892 -10.110 -17.203 1.00 44.14 H new ATOM 729 N LYS A 48 16.657 -7.162 -20.572 1.00 15.21 N ATOM 730 CA LYS A 48 16.560 -6.034 -21.491 1.00 3.13 C ATOM 731 C LYS A 48 17.540 -4.930 -21.103 1.00 43.44 C ATOM 732 O LYS A 48 17.474 -4.389 -20.000 1.00 42.12 O ATOM 733 CB LYS A 48 15.133 -5.481 -21.506 1.00 15.03 C ATOM 734 CG LYS A 48 14.739 -4.849 -22.829 1.00 21.42 C ATOM 735 CD LYS A 48 13.231 -4.719 -22.958 1.00 24.00 C ATOM 736 CE LYS A 48 12.844 -3.907 -24.184 1.00 64.10 C ATOM 737 NZ LYS A 48 12.685 -2.461 -23.862 1.00 1.32 N1+ ATOM 0 H LYS A 48 15.831 -7.303 -19.990 1.00 15.21 H new ATOM 0 HA LYS A 48 16.815 -6.389 -22.489 1.00 3.13 H new ATOM 0 HB2 LYS A 48 14.437 -6.288 -21.277 1.00 15.03 H new ATOM 0 HB3 LYS A 48 15.032 -4.739 -20.714 1.00 15.03 H new ATOM 0 HG2 LYS A 48 15.198 -3.864 -22.914 1.00 21.42 H new ATOM 0 HG3 LYS A 48 15.125 -5.453 -23.651 1.00 21.42 H new ATOM 0 HD2 LYS A 48 12.783 -5.711 -23.021 1.00 24.00 H new ATOM 0 HD3 LYS A 48 12.828 -4.244 -22.064 1.00 24.00 H new ATOM 0 HE2 LYS A 48 13.606 -4.026 -24.954 1.00 64.10 H new ATOM 0 HE3 LYS A 48 11.911 -4.292 -24.596 1.00 64.10 H new ATOM 0 HZ1 LYS A 48 12.421 -1.941 -24.723 1.00 1.32 H new ATOM 0 HZ2 LYS A 48 11.940 -2.345 -23.145 1.00 1.32 H new ATOM 0 HZ3 LYS A 48 13.582 -2.087 -23.493 1.00 1.32 H new ATOM 751 N SER A 49 18.446 -4.602 -22.018 1.00 43.44 N ATOM 752 CA SER A 49 19.440 -3.564 -21.771 1.00 72.14 C ATOM 753 C SER A 49 19.177 -2.340 -22.642 1.00 60.13 C ATOM 754 O SER A 49 18.484 -2.422 -23.656 1.00 5.42 O ATOM 755 CB SER A 49 20.848 -4.102 -22.038 1.00 41.12 C ATOM 756 OG SER A 49 21.822 -3.354 -21.332 1.00 21.32 O ATOM 0 H SER A 49 18.512 -5.040 -22.937 1.00 43.44 H new ATOM 0 HA SER A 49 19.365 -3.266 -20.725 1.00 72.14 H new ATOM 0 HB2 SER A 49 20.903 -5.149 -21.740 1.00 41.12 H new ATOM 0 HB3 SER A 49 21.059 -4.063 -23.107 1.00 41.12 H new ATOM 0 HG SER A 49 22.712 -3.719 -21.518 1.00 21.32 H new ATOM 762 N HIS A 50 19.736 -1.203 -22.239 1.00 41.43 N ATOM 763 CA HIS A 50 19.562 0.040 -22.983 1.00 30.33 C ATOM 764 C HIS A 50 20.043 -0.116 -24.422 1.00 5.15 C ATOM 765 O HIS A 50 19.613 0.614 -25.313 1.00 32.14 O ATOM 766 CB HIS A 50 20.321 1.178 -22.299 1.00 41.03 C ATOM 767 CG HIS A 50 19.668 1.663 -21.042 1.00 40.43 C ATOM 768 ND1 HIS A 50 18.672 2.617 -21.031 1.00 11.43 N ATOM 769 CD2 HIS A 50 19.873 1.321 -19.748 1.00 70.45 C ATOM 770 CE1 HIS A 50 18.294 2.841 -19.785 1.00 0.03 C ATOM 771 NE2 HIS A 50 19.008 2.067 -18.988 1.00 34.54 N ATOM 0 H HIS A 50 20.313 -1.117 -21.402 1.00 41.43 H new ATOM 0 HA HIS A 50 18.499 0.280 -22.999 1.00 30.33 H new ATOM 0 HB2 HIS A 50 21.332 0.842 -22.067 1.00 41.03 H new ATOM 0 HB3 HIS A 50 20.414 2.012 -22.995 1.00 41.03 H new ATOM 0 HD2 HIS A 50 20.585 0.596 -19.382 1.00 70.45 H new ATOM 0 HE1 HIS A 50 17.531 3.538 -19.472 1.00 0.03 H new ATOM 0 HE2 HIS A 50 18.929 2.030 -17.972 1.00 34.54 H new ATOM 779 N ASN A 51 20.939 -1.074 -24.640 1.00 15.24 N ATOM 780 CA ASN A 51 21.480 -1.325 -25.972 1.00 64.25 C ATOM 781 C ASN A 51 20.631 -2.349 -26.719 1.00 63.54 C ATOM 782 O ASN A 51 20.237 -2.126 -27.864 1.00 35.54 O ATOM 783 CB ASN A 51 22.925 -1.819 -25.873 1.00 63.32 C ATOM 784 CG ASN A 51 23.895 -0.703 -25.539 1.00 44.03 C ATOM 785 OD1 ASN A 51 23.746 -0.017 -24.529 1.00 43.11 O ATOM 786 ND2 ASN A 51 24.898 -0.518 -26.391 1.00 71.10 N ATOM 0 H ASN A 51 21.305 -1.688 -23.913 1.00 15.24 H new ATOM 0 HA ASN A 51 21.461 -0.388 -26.528 1.00 64.25 H new ATOM 0 HB2 ASN A 51 22.990 -2.594 -25.109 1.00 63.32 H new ATOM 0 HB3 ASN A 51 23.215 -2.278 -26.818 1.00 63.32 H new ATOM 0 HD21 ASN A 51 25.584 0.217 -26.220 1.00 71.10 H new ATOM 0 HD22 ASN A 51 24.982 -1.111 -27.216 1.00 71.10 H new ATOM 793 N ASP A 52 20.351 -3.469 -26.063 1.00 2.33 N ATOM 794 CA ASP A 52 19.547 -4.527 -26.665 1.00 51.51 C ATOM 795 C ASP A 52 19.272 -5.640 -25.659 1.00 40.41 C ATOM 796 O ASP A 52 19.581 -5.509 -24.474 1.00 50.31 O ATOM 797 CB ASP A 52 20.254 -5.097 -27.896 1.00 20.42 C ATOM 798 CG ASP A 52 21.582 -5.742 -27.553 1.00 4.32 C ATOM 799 OD1 ASP A 52 21.574 -6.820 -26.922 1.00 62.31 O ATOM 800 OD2 ASP A 52 22.630 -5.168 -27.916 1.00 62.02 O1- ATOM 0 H ASP A 52 20.668 -3.668 -25.114 1.00 2.33 H new ATOM 0 HA ASP A 52 18.594 -4.096 -26.971 1.00 51.51 H new ATOM 0 HB2 ASP A 52 19.608 -5.834 -28.374 1.00 20.42 H new ATOM 0 HB3 ASP A 52 20.417 -4.299 -28.620 1.00 20.42 H new ATOM 805 N PHE A 53 18.691 -6.734 -26.139 1.00 23.22 N ATOM 806 CA PHE A 53 18.373 -7.869 -25.281 1.00 74.32 C ATOM 807 C PHE A 53 19.573 -8.803 -25.147 1.00 74.52 C ATOM 808 O PHE A 53 20.360 -8.958 -26.081 1.00 63.11 O ATOM 809 CB PHE A 53 17.175 -8.639 -25.841 1.00 20.02 C ATOM 810 CG PHE A 53 15.947 -7.792 -26.014 1.00 51.11 C ATOM 811 CD1 PHE A 53 15.807 -6.967 -27.118 1.00 71.15 C ATOM 812 CD2 PHE A 53 14.931 -7.821 -25.072 1.00 41.23 C ATOM 813 CE1 PHE A 53 14.678 -6.187 -27.282 1.00 34.33 C ATOM 814 CE2 PHE A 53 13.800 -7.043 -25.229 1.00 25.13 C ATOM 815 CZ PHE A 53 13.673 -6.224 -26.335 1.00 23.43 C ATOM 0 H PHE A 53 18.431 -6.859 -27.117 1.00 23.22 H new ATOM 0 HA PHE A 53 18.121 -7.485 -24.293 1.00 74.32 H new ATOM 0 HB2 PHE A 53 17.448 -9.070 -26.804 1.00 20.02 H new ATOM 0 HB3 PHE A 53 16.943 -9.470 -25.174 1.00 20.02 H new ATOM 0 HD1 PHE A 53 16.591 -6.933 -27.860 1.00 71.15 H new ATOM 0 HD2 PHE A 53 15.024 -8.459 -24.205 1.00 41.23 H new ATOM 0 HE1 PHE A 53 14.582 -5.550 -28.149 1.00 34.33 H new ATOM 0 HE2 PHE A 53 13.015 -7.075 -24.488 1.00 25.13 H new ATOM 0 HZ PHE A 53 12.790 -5.614 -26.459 1.00 23.43 H new ATOM 825 N VAL A 54 19.706 -9.422 -23.978 1.00 60.01 N ATOM 826 CA VAL A 54 20.809 -10.339 -23.721 1.00 21.43 C ATOM 827 C VAL A 54 20.407 -11.414 -22.717 1.00 43.31 C ATOM 828 O VAL A 54 19.445 -11.249 -21.968 1.00 73.14 O ATOM 829 CB VAL A 54 22.048 -9.593 -23.189 1.00 12.13 C ATOM 830 CG1 VAL A 54 22.623 -8.681 -24.262 1.00 42.10 C ATOM 831 CG2 VAL A 54 21.696 -8.803 -21.937 1.00 4.03 C ATOM 0 H VAL A 54 19.063 -9.305 -23.195 1.00 60.01 H new ATOM 0 HA VAL A 54 21.058 -10.809 -24.673 1.00 21.43 H new ATOM 0 HB VAL A 54 22.809 -10.328 -22.925 1.00 12.13 H new ATOM 0 HG11 VAL A 54 23.497 -8.162 -23.868 1.00 42.10 H new ATOM 0 HG12 VAL A 54 22.913 -9.276 -25.128 1.00 42.10 H new ATOM 0 HG13 VAL A 54 21.871 -7.950 -24.560 1.00 42.10 H new ATOM 0 HG21 VAL A 54 22.582 -8.282 -21.574 1.00 4.03 H new ATOM 0 HG22 VAL A 54 20.919 -8.076 -22.172 1.00 4.03 H new ATOM 0 HG23 VAL A 54 21.335 -9.484 -21.167 1.00 4.03 H new ATOM 841 N ALA A 55 21.151 -12.515 -22.708 1.00 4.51 N ATOM 842 CA ALA A 55 20.874 -13.617 -21.794 1.00 54.01 C ATOM 843 C ALA A 55 22.132 -14.039 -21.045 1.00 32.03 C ATOM 844 O ALA A 55 23.237 -13.984 -21.588 1.00 42.01 O ATOM 845 CB ALA A 55 20.287 -14.797 -22.554 1.00 40.42 C ATOM 0 H ALA A 55 21.950 -12.668 -23.323 1.00 4.51 H new ATOM 0 HA ALA A 55 20.145 -13.274 -21.060 1.00 54.01 H new ATOM 0 HB1 ALA A 55 20.085 -15.613 -21.860 1.00 40.42 H new ATOM 0 HB2 ALA A 55 19.358 -14.493 -23.037 1.00 40.42 H new ATOM 0 HB3 ALA A 55 20.997 -15.132 -23.311 1.00 40.42 H new ATOM 851 N ILE A 56 21.960 -14.460 -19.797 1.00 34.40 N ATOM 852 CA ILE A 56 23.083 -14.893 -18.975 1.00 21.40 C ATOM 853 C ILE A 56 22.730 -16.142 -18.175 1.00 72.24 C ATOM 854 O ILE A 56 21.799 -16.133 -17.369 1.00 72.43 O ATOM 855 CB ILE A 56 23.529 -13.784 -18.003 1.00 50.33 C ATOM 856 CG1 ILE A 56 23.883 -12.510 -18.775 1.00 71.52 C ATOM 857 CG2 ILE A 56 24.715 -14.252 -17.173 1.00 41.55 C ATOM 858 CD1 ILE A 56 25.101 -12.658 -19.659 1.00 74.44 C ATOM 0 H ILE A 56 21.053 -14.511 -19.333 1.00 34.40 H new ATOM 0 HA ILE A 56 23.903 -15.121 -19.656 1.00 21.40 H new ATOM 0 HB ILE A 56 22.703 -13.560 -17.328 1.00 50.33 H new ATOM 0 HG12 ILE A 56 23.031 -12.219 -19.390 1.00 71.52 H new ATOM 0 HG13 ILE A 56 24.055 -11.701 -18.065 1.00 71.52 H new ATOM 0 HG21 ILE A 56 25.018 -13.457 -16.491 1.00 41.55 H new ATOM 0 HG22 ILE A 56 24.432 -15.134 -16.599 1.00 41.55 H new ATOM 0 HG23 ILE A 56 25.546 -14.500 -17.833 1.00 41.55 H new ATOM 0 HD11 ILE A 56 25.293 -11.717 -20.175 1.00 74.44 H new ATOM 0 HD12 ILE A 56 25.965 -12.919 -19.048 1.00 74.44 H new ATOM 0 HD13 ILE A 56 24.925 -13.445 -20.392 1.00 74.44 H new ATOM 870 N LEU A 57 23.481 -17.214 -18.402 1.00 23.15 N ATOM 871 CA LEU A 57 23.248 -18.472 -17.701 1.00 22.42 C ATOM 872 C LEU A 57 24.532 -19.293 -17.617 1.00 52.54 C ATOM 873 O LEU A 57 25.237 -19.465 -18.611 1.00 60.35 O ATOM 874 CB LEU A 57 22.159 -19.279 -18.408 1.00 74.01 C ATOM 875 CG LEU A 57 22.031 -19.059 -19.916 1.00 65.41 C ATOM 876 CD1 LEU A 57 21.511 -20.315 -20.598 1.00 60.15 C ATOM 877 CD2 LEU A 57 21.120 -17.876 -20.206 1.00 20.50 C ATOM 0 H LEU A 57 24.256 -17.237 -19.065 1.00 23.15 H new ATOM 0 HA LEU A 57 22.919 -18.240 -16.688 1.00 22.42 H new ATOM 0 HB2 LEU A 57 22.347 -20.338 -18.230 1.00 74.01 H new ATOM 0 HB3 LEU A 57 21.201 -19.043 -17.944 1.00 74.01 H new ATOM 0 HG LEU A 57 23.020 -18.837 -20.316 1.00 65.41 H new ATOM 0 HD11 LEU A 57 21.427 -20.138 -21.670 1.00 60.15 H new ATOM 0 HD12 LEU A 57 22.202 -21.139 -20.419 1.00 60.15 H new ATOM 0 HD13 LEU A 57 20.531 -20.569 -20.194 1.00 60.15 H new ATOM 0 HD21 LEU A 57 21.040 -17.734 -21.284 1.00 20.50 H new ATOM 0 HD22 LEU A 57 20.131 -18.068 -19.791 1.00 20.50 H new ATOM 0 HD23 LEU A 57 21.535 -16.977 -19.751 1.00 20.50 H new ATOM 889 N ASP A 58 24.826 -19.800 -16.424 1.00 34.22 N ATOM 890 CA ASP A 58 26.022 -20.606 -16.211 1.00 0.11 C ATOM 891 C ASP A 58 25.876 -21.979 -16.860 1.00 63.43 C ATOM 892 O ASP A 58 25.131 -22.831 -16.374 1.00 41.24 O ATOM 893 CB ASP A 58 26.298 -20.762 -14.714 1.00 24.31 C ATOM 894 CG ASP A 58 26.849 -19.495 -14.091 1.00 42.33 C ATOM 895 OD1 ASP A 58 26.515 -18.397 -14.585 1.00 2.41 O ATOM 896 OD2 ASP A 58 27.614 -19.601 -13.111 1.00 22.34 O1- ATOM 0 H ASP A 58 24.253 -19.667 -15.591 1.00 34.22 H new ATOM 0 HA ASP A 58 26.863 -20.092 -16.676 1.00 0.11 H new ATOM 0 HB2 ASP A 58 25.376 -21.042 -14.205 1.00 24.31 H new ATOM 0 HB3 ASP A 58 27.006 -21.576 -14.561 1.00 24.31 H new ATOM 901 N LEU A 59 26.590 -22.186 -17.961 1.00 33.22 N ATOM 902 CA LEU A 59 26.540 -23.456 -18.678 1.00 60.20 C ATOM 903 C LEU A 59 27.873 -24.190 -18.580 1.00 1.03 C ATOM 904 O LEU A 59 28.934 -23.584 -18.435 1.00 70.11 O ATOM 905 CB LEU A 59 26.181 -23.220 -20.146 1.00 32.04 C ATOM 906 CG LEU A 59 24.985 -22.302 -20.406 1.00 60.02 C ATOM 907 CD1 LEU A 59 24.958 -21.861 -21.861 1.00 43.15 C ATOM 908 CD2 LEU A 59 23.685 -23.001 -20.034 1.00 1.32 C ATOM 0 H LEU A 59 27.210 -21.491 -18.377 1.00 33.22 H new ATOM 0 HA LEU A 59 25.771 -24.076 -18.217 1.00 60.20 H new ATOM 0 HB2 LEU A 59 27.052 -22.800 -20.649 1.00 32.04 H new ATOM 0 HB3 LEU A 59 25.980 -24.186 -20.610 1.00 32.04 H new ATOM 0 HG LEU A 59 25.089 -21.415 -19.781 1.00 60.02 H new ATOM 0 HD11 LEU A 59 24.101 -21.209 -22.028 1.00 43.15 H new ATOM 0 HD12 LEU A 59 25.876 -21.321 -22.095 1.00 43.15 H new ATOM 0 HD13 LEU A 59 24.878 -22.737 -22.505 1.00 43.15 H new ATOM 0 HD21 LEU A 59 22.845 -22.333 -20.225 1.00 1.32 H new ATOM 0 HD22 LEU A 59 23.574 -23.905 -20.633 1.00 1.32 H new ATOM 0 HD23 LEU A 59 23.704 -23.266 -18.977 1.00 1.32 H new ATOM 920 N PRO A 60 27.819 -25.528 -18.664 1.00 53.42 N ATOM 921 CA PRO A 60 29.013 -26.374 -18.590 1.00 72.32 C ATOM 922 C PRO A 60 29.900 -26.234 -19.823 1.00 43.23 C ATOM 923 O PRO A 60 29.421 -25.904 -20.907 1.00 43.11 O ATOM 924 CB PRO A 60 28.440 -27.790 -18.501 1.00 45.22 C ATOM 925 CG PRO A 60 27.099 -27.697 -19.145 1.00 34.34 C ATOM 926 CD PRO A 60 26.588 -26.317 -18.838 1.00 31.23 C ATOM 0 HA PRO A 60 29.652 -26.105 -17.749 1.00 72.32 H new ATOM 0 HB2 PRO A 60 29.078 -28.508 -19.016 1.00 45.22 H new ATOM 0 HB3 PRO A 60 28.360 -28.120 -17.465 1.00 45.22 H new ATOM 0 HG2 PRO A 60 27.171 -27.856 -20.221 1.00 34.34 H new ATOM 0 HG3 PRO A 60 26.425 -28.459 -18.754 1.00 34.34 H new ATOM 0 HD2 PRO A 60 25.972 -25.927 -19.648 1.00 31.23 H new ATOM 0 HD3 PRO A 60 25.974 -26.307 -17.938 1.00 31.23 H new ATOM 934 N GLU A 61 31.193 -26.489 -19.647 1.00 34.34 N ATOM 935 CA GLU A 61 32.146 -26.390 -20.748 1.00 51.40 C ATOM 936 C GLU A 61 31.825 -27.409 -21.838 1.00 71.00 C ATOM 937 O GLU A 61 31.849 -28.616 -21.602 1.00 52.22 O ATOM 938 CB GLU A 61 33.571 -26.606 -20.237 1.00 14.52 C ATOM 939 CG GLU A 61 34.613 -26.652 -21.342 1.00 12.24 C ATOM 940 CD GLU A 61 34.924 -28.067 -21.793 1.00 4.13 C ATOM 941 OE1 GLU A 61 35.050 -28.953 -20.921 1.00 14.15 O1- ATOM 942 OE2 GLU A 61 35.040 -28.288 -23.017 1.00 62.21 O ATOM 0 H GLU A 61 31.604 -26.765 -18.755 1.00 34.34 H new ATOM 0 HA GLU A 61 32.068 -25.390 -21.175 1.00 51.40 H new ATOM 0 HB2 GLU A 61 33.825 -25.805 -19.543 1.00 14.52 H new ATOM 0 HB3 GLU A 61 33.609 -27.539 -19.674 1.00 14.52 H new ATOM 0 HG2 GLU A 61 34.259 -26.073 -22.195 1.00 12.24 H new ATOM 0 HG3 GLU A 61 35.529 -26.177 -20.992 1.00 12.24 H new ATOM 949 N GLY A 62 31.522 -26.911 -23.034 1.00 75.14 N ATOM 950 CA GLY A 62 31.200 -27.791 -24.142 1.00 3.44 C ATOM 951 C GLY A 62 30.489 -27.066 -25.268 1.00 3.40 C ATOM 952 O GLY A 62 30.778 -25.904 -25.547 1.00 30.13 O ATOM 0 H GLY A 62 31.494 -25.915 -23.254 1.00 75.14 H new ATOM 0 HA2 GLY A 62 32.117 -28.240 -24.524 1.00 3.44 H new ATOM 0 HA3 GLY A 62 30.571 -28.606 -23.784 1.00 3.44 H new ATOM 956 N GLU A 63 29.555 -27.755 -25.916 1.00 44.04 N ATOM 957 CA GLU A 63 28.801 -27.171 -27.019 1.00 31.31 C ATOM 958 C GLU A 63 27.306 -27.429 -26.854 1.00 34.40 C ATOM 959 O GLU A 63 26.909 -28.580 -26.682 1.00 55.14 O ATOM 960 CB GLU A 63 29.284 -27.742 -28.354 1.00 71.45 C ATOM 961 CG GLU A 63 28.400 -27.366 -29.532 1.00 41.01 C ATOM 962 CD GLU A 63 27.320 -28.395 -29.802 1.00 64.35 C ATOM 963 OE1 GLU A 63 27.654 -29.595 -29.901 1.00 63.41 O1- ATOM 964 OE2 GLU A 63 26.140 -28.001 -29.913 1.00 13.32 O ATOM 0 H GLU A 63 29.302 -28.718 -25.696 1.00 44.04 H new ATOM 0 HA GLU A 63 28.969 -26.094 -27.010 1.00 31.31 H new ATOM 0 HB2 GLU A 63 30.298 -27.390 -28.545 1.00 71.45 H new ATOM 0 HB3 GLU A 63 29.332 -28.828 -28.279 1.00 71.45 H new ATOM 0 HG2 GLU A 63 27.935 -26.399 -29.339 1.00 41.01 H new ATOM 0 HG3 GLU A 63 29.018 -27.251 -30.423 1.00 41.01 H new ATOM 971 N HIS A 64 26.520 -26.364 -26.909 1.00 11.42 N ATOM 972 CA HIS A 64 25.080 -26.488 -26.765 1.00 43.11 C ATOM 973 C HIS A 64 24.382 -25.694 -27.871 1.00 20.11 C ATOM 974 O HIS A 64 24.987 -24.880 -28.570 1.00 22.41 O ATOM 975 CB HIS A 64 24.636 -26.066 -25.363 1.00 0.52 C ATOM 976 CG HIS A 64 25.775 -25.884 -24.387 1.00 30.40 C ATOM 977 ND1 HIS A 64 26.096 -26.827 -23.426 1.00 23.24 N ATOM 978 CD2 HIS A 64 26.664 -24.860 -24.236 1.00 51.01 C ATOM 979 CE1 HIS A 64 27.133 -26.380 -22.732 1.00 5.41 C ATOM 980 NE2 HIS A 64 27.482 -25.161 -23.235 1.00 33.03 N ATOM 0 H HIS A 64 26.854 -25.411 -27.051 1.00 11.42 H new ATOM 0 HA HIS A 64 24.789 -27.533 -26.877 1.00 43.11 H new ATOM 0 HB2 HIS A 64 24.080 -25.131 -25.435 1.00 0.52 H new ATOM 0 HB3 HIS A 64 23.950 -26.816 -24.969 1.00 0.52 H new ATOM 0 HD2 HIS A 64 26.697 -23.958 -24.830 1.00 51.01 H new ATOM 0 HE1 HIS A 64 27.617 -26.891 -21.913 1.00 5.41 H new ATOM 0 HE2 HIS A 64 28.247 -24.576 -22.897 1.00 33.03 H new ATOM 988 N GLN A 65 23.087 -25.951 -28.015 1.00 1.42 N ATOM 989 CA GLN A 65 22.282 -25.275 -29.026 1.00 75.43 C ATOM 990 C GLN A 65 21.075 -24.591 -28.395 1.00 40.13 C ATOM 991 O GLN A 65 20.298 -25.219 -27.675 1.00 52.02 O ATOM 992 CB GLN A 65 21.819 -26.273 -30.090 1.00 73.02 C ATOM 993 CG GLN A 65 22.746 -26.356 -31.291 1.00 71.31 C ATOM 994 CD GLN A 65 22.819 -27.753 -31.877 1.00 43.32 C ATOM 995 OE1 GLN A 65 22.004 -28.129 -32.720 1.00 5.51 O ATOM 996 NE2 GLN A 65 23.798 -28.532 -31.430 1.00 53.03 N ATOM 0 H GLN A 65 22.572 -26.622 -27.445 1.00 1.42 H new ATOM 0 HA GLN A 65 22.902 -24.513 -29.497 1.00 75.43 H new ATOM 0 HB2 GLN A 65 21.735 -27.261 -29.637 1.00 73.02 H new ATOM 0 HB3 GLN A 65 20.822 -25.993 -30.430 1.00 73.02 H new ATOM 0 HG2 GLN A 65 22.403 -25.662 -32.058 1.00 71.31 H new ATOM 0 HG3 GLN A 65 23.746 -26.037 -30.996 1.00 71.31 H new ATOM 0 HE21 GLN A 65 24.451 -28.179 -30.731 1.00 53.03 H new ATOM 0 HE22 GLN A 65 23.896 -29.483 -31.786 1.00 53.03 H new ATOM 1005 N TYR A 66 20.924 -23.299 -28.667 1.00 4.15 N ATOM 1006 CA TYR A 66 19.812 -22.529 -28.123 1.00 72.34 C ATOM 1007 C TYR A 66 18.964 -21.931 -29.241 1.00 74.34 C ATOM 1008 O TYR A 66 19.267 -22.096 -30.423 1.00 1.32 O ATOM 1009 CB TYR A 66 20.334 -21.415 -27.213 1.00 10.24 C ATOM 1010 CG TYR A 66 21.197 -20.402 -27.931 1.00 32.44 C ATOM 1011 CD1 TYR A 66 22.515 -20.691 -28.259 1.00 40.20 C ATOM 1012 CD2 TYR A 66 20.692 -19.155 -28.280 1.00 2.13 C ATOM 1013 CE1 TYR A 66 23.307 -19.767 -28.913 1.00 2.40 C ATOM 1014 CE2 TYR A 66 21.476 -18.226 -28.937 1.00 71.43 C ATOM 1015 CZ TYR A 66 22.783 -18.536 -29.251 1.00 22.23 C ATOM 1016 OH TYR A 66 23.568 -17.614 -29.904 1.00 12.33 O ATOM 0 H TYR A 66 21.558 -22.764 -29.261 1.00 4.15 H new ATOM 0 HA TYR A 66 19.187 -23.205 -27.539 1.00 72.34 H new ATOM 0 HB2 TYR A 66 19.487 -20.901 -26.759 1.00 10.24 H new ATOM 0 HB3 TYR A 66 20.909 -21.860 -26.401 1.00 10.24 H new ATOM 0 HD1 TYR A 66 22.928 -21.654 -27.998 1.00 40.20 H new ATOM 0 HD2 TYR A 66 19.670 -18.908 -28.034 1.00 2.13 H new ATOM 0 HE1 TYR A 66 24.331 -20.007 -29.158 1.00 2.40 H new ATOM 0 HE2 TYR A 66 21.068 -17.262 -29.203 1.00 71.43 H new ATOM 0 HH TYR A 66 23.048 -16.800 -30.070 1.00 12.33 H new ATOM 1026 N LYS A 67 17.898 -21.235 -28.859 1.00 53.20 N ATOM 1027 CA LYS A 67 17.005 -20.611 -29.826 1.00 62.12 C ATOM 1028 C LYS A 67 16.331 -19.379 -29.230 1.00 21.43 C ATOM 1029 O LYS A 67 16.022 -19.345 -28.039 1.00 63.05 O ATOM 1030 CB LYS A 67 15.943 -21.610 -30.291 1.00 52.15 C ATOM 1031 CG LYS A 67 15.068 -21.089 -31.418 1.00 4.31 C ATOM 1032 CD LYS A 67 15.806 -21.100 -32.747 1.00 75.43 C ATOM 1033 CE LYS A 67 14.928 -20.583 -33.876 1.00 71.15 C ATOM 1034 NZ LYS A 67 13.826 -21.531 -34.200 1.00 33.33 N1+ ATOM 0 H LYS A 67 17.632 -21.089 -27.885 1.00 53.20 H new ATOM 0 HA LYS A 67 17.602 -20.299 -30.683 1.00 62.12 H new ATOM 0 HB2 LYS A 67 16.436 -22.525 -30.619 1.00 52.15 H new ATOM 0 HB3 LYS A 67 15.310 -21.875 -29.444 1.00 52.15 H new ATOM 0 HG2 LYS A 67 14.169 -21.701 -31.495 1.00 4.31 H new ATOM 0 HG3 LYS A 67 14.744 -20.074 -31.189 1.00 4.31 H new ATOM 0 HD2 LYS A 67 16.703 -20.485 -32.671 1.00 75.43 H new ATOM 0 HD3 LYS A 67 16.133 -22.115 -32.974 1.00 75.43 H new ATOM 0 HE2 LYS A 67 14.506 -19.618 -33.595 1.00 71.15 H new ATOM 0 HE3 LYS A 67 15.538 -20.418 -34.764 1.00 71.15 H new ATOM 0 HZ1 LYS A 67 13.050 -21.016 -34.663 1.00 33.33 H new ATOM 0 HZ2 LYS A 67 14.181 -22.271 -34.839 1.00 33.33 H new ATOM 0 HZ3 LYS A 67 13.476 -21.969 -33.324 1.00 33.33 H new ATOM 1048 N PHE A 68 16.106 -18.369 -30.064 1.00 0.13 N ATOM 1049 CA PHE A 68 15.470 -17.136 -29.618 1.00 34.41 C ATOM 1050 C PHE A 68 13.959 -17.201 -29.819 1.00 74.51 C ATOM 1051 O PHE A 68 13.473 -17.822 -30.765 1.00 43.04 O ATOM 1052 CB PHE A 68 16.045 -15.937 -30.375 1.00 21.54 C ATOM 1053 CG PHE A 68 17.410 -15.528 -29.901 1.00 34.32 C ATOM 1054 CD1 PHE A 68 17.682 -15.417 -28.547 1.00 45.22 C ATOM 1055 CD2 PHE A 68 18.419 -15.251 -30.808 1.00 24.44 C ATOM 1056 CE1 PHE A 68 18.937 -15.041 -28.106 1.00 21.32 C ATOM 1057 CE2 PHE A 68 19.676 -14.875 -30.375 1.00 64.40 C ATOM 1058 CZ PHE A 68 19.935 -14.768 -29.022 1.00 60.24 C ATOM 0 H PHE A 68 16.355 -18.381 -31.053 1.00 0.13 H new ATOM 0 HA PHE A 68 15.673 -17.016 -28.554 1.00 34.41 H new ATOM 0 HB2 PHE A 68 16.095 -16.178 -31.437 1.00 21.54 H new ATOM 0 HB3 PHE A 68 15.365 -15.092 -30.271 1.00 21.54 H new ATOM 0 HD1 PHE A 68 16.904 -15.627 -27.828 1.00 45.22 H new ATOM 0 HD2 PHE A 68 18.221 -15.330 -31.867 1.00 24.44 H new ATOM 0 HE1 PHE A 68 19.137 -14.961 -27.048 1.00 21.32 H new ATOM 0 HE2 PHE A 68 20.455 -14.665 -31.093 1.00 64.40 H new ATOM 0 HZ PHE A 68 20.916 -14.471 -28.681 1.00 60.24 H new ATOM 1068 N PHE A 69 13.220 -16.557 -28.922 1.00 64.40 N ATOM 1069 CA PHE A 69 11.764 -16.542 -28.999 1.00 63.41 C ATOM 1070 C PHE A 69 11.228 -15.117 -28.894 1.00 34.32 C ATOM 1071 O PHE A 69 11.041 -14.590 -27.797 1.00 62.44 O ATOM 1072 CB PHE A 69 11.165 -17.407 -27.888 1.00 5.13 C ATOM 1073 CG PHE A 69 9.667 -17.507 -27.948 1.00 23.30 C ATOM 1074 CD1 PHE A 69 9.050 -18.284 -28.916 1.00 42.11 C ATOM 1075 CD2 PHE A 69 8.877 -16.827 -27.037 1.00 14.24 C ATOM 1076 CE1 PHE A 69 7.673 -18.377 -28.975 1.00 52.12 C ATOM 1077 CE2 PHE A 69 7.498 -16.917 -27.090 1.00 13.20 C ATOM 1078 CZ PHE A 69 6.896 -17.694 -28.060 1.00 3.22 C ATOM 0 H PHE A 69 13.606 -16.038 -28.133 1.00 64.40 H new ATOM 0 HA PHE A 69 11.472 -16.951 -29.966 1.00 63.41 H new ATOM 0 HB2 PHE A 69 11.591 -18.409 -27.949 1.00 5.13 H new ATOM 0 HB3 PHE A 69 11.455 -16.995 -26.921 1.00 5.13 H new ATOM 0 HD1 PHE A 69 9.653 -18.823 -29.632 1.00 42.11 H new ATOM 0 HD2 PHE A 69 9.343 -16.219 -26.276 1.00 14.24 H new ATOM 0 HE1 PHE A 69 7.204 -18.983 -29.736 1.00 52.12 H new ATOM 0 HE2 PHE A 69 6.893 -16.381 -26.374 1.00 13.20 H new ATOM 0 HZ PHE A 69 5.819 -17.767 -28.103 1.00 3.22 H new ATOM 1088 N VAL A 70 10.982 -14.497 -30.045 1.00 51.23 N ATOM 1089 CA VAL A 70 10.468 -13.134 -30.084 1.00 53.12 C ATOM 1090 C VAL A 70 9.151 -13.065 -30.849 1.00 13.23 C ATOM 1091 O VAL A 70 8.909 -13.856 -31.760 1.00 23.10 O ATOM 1092 CB VAL A 70 11.478 -12.171 -30.735 1.00 52.31 C ATOM 1093 CG1 VAL A 70 11.019 -10.729 -30.580 1.00 23.12 C ATOM 1094 CG2 VAL A 70 12.862 -12.365 -30.135 1.00 41.35 C ATOM 0 H VAL A 70 11.131 -14.918 -30.962 1.00 51.23 H new ATOM 0 HA VAL A 70 10.301 -12.829 -29.051 1.00 53.12 H new ATOM 0 HB VAL A 70 11.533 -12.397 -31.800 1.00 52.31 H new ATOM 0 HG11 VAL A 70 11.746 -10.064 -31.046 1.00 23.12 H new ATOM 0 HG12 VAL A 70 10.049 -10.602 -31.062 1.00 23.12 H new ATOM 0 HG13 VAL A 70 10.933 -10.487 -29.521 1.00 23.12 H new ATOM 0 HG21 VAL A 70 13.563 -11.676 -30.607 1.00 41.35 H new ATOM 0 HG22 VAL A 70 12.825 -12.168 -29.064 1.00 41.35 H new ATOM 0 HG23 VAL A 70 13.191 -13.390 -30.304 1.00 41.35 H new ATOM 1104 N ASP A 71 8.303 -12.115 -30.471 1.00 3.15 N ATOM 1105 CA ASP A 71 7.010 -11.941 -31.123 1.00 54.03 C ATOM 1106 C ASP A 71 6.156 -13.197 -30.979 1.00 20.14 C ATOM 1107 O ASP A 71 5.403 -13.554 -31.883 1.00 62.44 O ATOM 1108 CB ASP A 71 7.202 -11.606 -32.603 1.00 64.34 C ATOM 1109 CG ASP A 71 6.031 -10.834 -33.178 1.00 14.24 C ATOM 1110 OD1 ASP A 71 5.254 -10.259 -32.387 1.00 51.33 O1- ATOM 1111 OD2 ASP A 71 5.891 -10.804 -34.419 1.00 63.53 O ATOM 0 H ASP A 71 8.487 -11.454 -29.717 1.00 3.15 H new ATOM 0 HA ASP A 71 6.493 -11.114 -30.636 1.00 54.03 H new ATOM 0 HB2 ASP A 71 8.114 -11.021 -32.725 1.00 64.34 H new ATOM 0 HB3 ASP A 71 7.337 -12.529 -33.167 1.00 64.34 H new ATOM 1116 N GLY A 72 6.281 -13.863 -29.836 1.00 2.30 N ATOM 1117 CA GLY A 72 5.515 -15.073 -29.595 1.00 30.24 C ATOM 1118 C GLY A 72 5.858 -16.180 -30.571 1.00 72.25 C ATOM 1119 O GLY A 72 5.031 -17.048 -30.851 1.00 21.11 O ATOM 0 H GLY A 72 6.898 -13.587 -29.072 1.00 2.30 H new ATOM 0 HA2 GLY A 72 5.699 -15.419 -28.578 1.00 30.24 H new ATOM 0 HA3 GLY A 72 4.451 -14.846 -29.667 1.00 30.24 H new ATOM 1123 N GLN A 73 7.080 -16.150 -31.093 1.00 45.23 N ATOM 1124 CA GLN A 73 7.530 -17.157 -32.046 1.00 20.11 C ATOM 1125 C GLN A 73 9.036 -17.376 -31.939 1.00 25.04 C ATOM 1126 O GLN A 73 9.773 -16.485 -31.517 1.00 32.35 O ATOM 1127 CB GLN A 73 7.163 -16.741 -33.472 1.00 33.33 C ATOM 1128 CG GLN A 73 7.909 -15.508 -33.956 1.00 51.12 C ATOM 1129 CD GLN A 73 7.780 -15.297 -35.451 1.00 31.44 C ATOM 1130 OE1 GLN A 73 7.644 -16.253 -36.215 1.00 52.31 O ATOM 1131 NE2 GLN A 73 7.820 -14.040 -35.879 1.00 32.52 N ATOM 0 H GLN A 73 7.776 -15.438 -30.872 1.00 45.23 H new ATOM 0 HA GLN A 73 7.028 -18.095 -31.808 1.00 20.11 H new ATOM 0 HB2 GLN A 73 7.371 -17.570 -34.148 1.00 33.33 H new ATOM 0 HB3 GLN A 73 6.091 -16.550 -33.522 1.00 33.33 H new ATOM 0 HG2 GLN A 73 7.528 -14.630 -33.435 1.00 51.12 H new ATOM 0 HG3 GLN A 73 8.963 -15.601 -33.696 1.00 51.12 H new ATOM 0 HE21 GLN A 73 7.934 -13.277 -35.211 1.00 32.52 H new ATOM 0 HE22 GLN A 73 7.737 -13.838 -36.875 1.00 32.52 H new ATOM 1140 N TRP A 74 9.484 -18.565 -32.323 1.00 23.22 N ATOM 1141 CA TRP A 74 10.903 -18.901 -32.270 1.00 12.20 C ATOM 1142 C TRP A 74 11.632 -18.382 -33.503 1.00 60.11 C ATOM 1143 O TRP A 74 11.405 -18.859 -34.616 1.00 24.22 O ATOM 1144 CB TRP A 74 11.085 -20.415 -32.152 1.00 50.12 C ATOM 1145 CG TRP A 74 10.628 -20.969 -30.836 1.00 43.22 C ATOM 1146 CD1 TRP A 74 9.446 -21.602 -30.580 1.00 54.41 C ATOM 1147 CD2 TRP A 74 11.345 -20.936 -29.597 1.00 32.22 C ATOM 1148 NE1 TRP A 74 9.384 -21.965 -29.257 1.00 41.32 N ATOM 1149 CE2 TRP A 74 10.536 -21.569 -28.632 1.00 15.44 C ATOM 1150 CE3 TRP A 74 12.590 -20.436 -29.210 1.00 73.11 C ATOM 1151 CZ2 TRP A 74 10.936 -21.712 -27.306 1.00 32.40 C ATOM 1152 CZ3 TRP A 74 12.985 -20.579 -27.893 1.00 32.22 C ATOM 1153 CH2 TRP A 74 12.160 -21.214 -26.955 1.00 52.42 C ATOM 0 H TRP A 74 8.886 -19.313 -32.674 1.00 23.22 H new ATOM 0 HA TRP A 74 11.332 -18.421 -31.390 1.00 12.20 H new ATOM 0 HB2 TRP A 74 10.533 -20.903 -32.955 1.00 50.12 H new ATOM 0 HB3 TRP A 74 12.138 -20.659 -32.295 1.00 50.12 H new ATOM 0 HD1 TRP A 74 8.673 -21.790 -31.311 1.00 54.41 H new ATOM 0 HE1 TRP A 74 8.606 -22.451 -28.812 1.00 41.32 H new ATOM 0 HE3 TRP A 74 13.233 -19.946 -29.927 1.00 73.11 H new ATOM 0 HZ2 TRP A 74 10.302 -22.199 -26.580 1.00 32.40 H new ATOM 0 HZ3 TRP A 74 13.945 -20.195 -27.582 1.00 32.22 H new ATOM 0 HH2 TRP A 74 12.498 -21.312 -25.934 1.00 52.42 H new ATOM 1164 N VAL A 75 12.508 -17.404 -33.300 1.00 42.22 N ATOM 1165 CA VAL A 75 13.272 -16.821 -34.398 1.00 53.15 C ATOM 1166 C VAL A 75 14.769 -17.020 -34.191 1.00 42.43 C ATOM 1167 O VAL A 75 15.205 -17.478 -33.135 1.00 15.11 O ATOM 1168 CB VAL A 75 12.980 -15.316 -34.548 1.00 14.03 C ATOM 1169 CG1 VAL A 75 11.490 -15.077 -34.737 1.00 25.31 C ATOM 1170 CG2 VAL A 75 13.503 -14.551 -33.343 1.00 33.52 C ATOM 0 H VAL A 75 12.707 -16.998 -32.386 1.00 42.22 H new ATOM 0 HA VAL A 75 12.963 -17.335 -35.308 1.00 53.15 H new ATOM 0 HB VAL A 75 13.497 -14.949 -35.435 1.00 14.03 H new ATOM 0 HG11 VAL A 75 11.303 -14.008 -34.841 1.00 25.31 H new ATOM 0 HG12 VAL A 75 11.150 -15.594 -35.634 1.00 25.31 H new ATOM 0 HG13 VAL A 75 10.948 -15.457 -33.871 1.00 25.31 H new ATOM 0 HG21 VAL A 75 13.289 -13.489 -33.465 1.00 33.52 H new ATOM 0 HG22 VAL A 75 13.016 -14.918 -32.440 1.00 33.52 H new ATOM 0 HG23 VAL A 75 14.580 -14.696 -33.259 1.00 33.52 H new ATOM 1180 N HIS A 76 15.553 -16.671 -35.207 1.00 54.12 N ATOM 1181 CA HIS A 76 17.003 -16.809 -35.137 1.00 10.02 C ATOM 1182 C HIS A 76 17.691 -15.749 -35.990 1.00 43.22 C ATOM 1183 O HIS A 76 17.109 -15.230 -36.943 1.00 33.44 O ATOM 1184 CB HIS A 76 17.425 -18.205 -35.597 1.00 62.13 C ATOM 1185 CG HIS A 76 17.292 -18.414 -37.074 1.00 63.23 C ATOM 1186 ND1 HIS A 76 16.291 -19.176 -37.639 1.00 33.14 N ATOM 1187 CD2 HIS A 76 18.040 -17.955 -38.105 1.00 1.42 C ATOM 1188 CE1 HIS A 76 16.430 -19.178 -38.953 1.00 52.22 C ATOM 1189 NE2 HIS A 76 17.483 -18.443 -39.261 1.00 14.42 N ATOM 0 H HIS A 76 15.208 -16.291 -36.088 1.00 54.12 H new ATOM 0 HA HIS A 76 17.308 -16.669 -34.100 1.00 10.02 H new ATOM 0 HB2 HIS A 76 18.461 -18.377 -35.306 1.00 62.13 H new ATOM 0 HB3 HIS A 76 16.820 -18.948 -35.077 1.00 62.13 H new ATOM 0 HD2 HIS A 76 18.912 -17.323 -38.032 1.00 1.42 H new ATOM 0 HE1 HIS A 76 15.791 -19.693 -39.655 1.00 52.22 H new ATOM 0 HE2 HIS A 76 17.827 -18.266 -40.205 1.00 14.42 H new ATOM 1197 N ASP A 77 18.933 -15.431 -35.642 1.00 61.11 N ATOM 1198 CA ASP A 77 19.702 -14.433 -36.376 1.00 41.41 C ATOM 1199 C ASP A 77 20.637 -15.098 -37.381 1.00 24.02 C ATOM 1200 O ASP A 77 21.342 -16.058 -37.070 1.00 23.04 O ATOM 1201 CB ASP A 77 20.508 -13.565 -35.407 1.00 44.44 C ATOM 1202 CG ASP A 77 19.737 -12.346 -34.943 1.00 1.12 C ATOM 1203 OD1 ASP A 77 18.928 -11.819 -35.735 1.00 10.11 O1- ATOM 1204 OD2 ASP A 77 19.943 -11.917 -33.788 1.00 34.33 O ATOM 0 H ASP A 77 19.429 -15.850 -34.856 1.00 61.11 H new ATOM 0 HA ASP A 77 19.002 -13.801 -36.922 1.00 41.41 H new ATOM 0 HB2 ASP A 77 20.794 -14.162 -34.541 1.00 44.44 H new ATOM 0 HB3 ASP A 77 21.430 -13.245 -35.892 1.00 44.44 H new ATOM 1209 N PRO A 78 20.643 -14.578 -38.618 1.00 15.43 N ATOM 1210 CA PRO A 78 21.486 -15.105 -39.694 1.00 4.43 C ATOM 1211 C PRO A 78 22.966 -14.824 -39.462 1.00 61.31 C ATOM 1212 O PRO A 78 23.831 -15.512 -40.004 1.00 23.50 O ATOM 1213 CB PRO A 78 20.987 -14.359 -40.934 1.00 61.03 C ATOM 1214 CG PRO A 78 20.406 -13.093 -40.405 1.00 70.11 C ATOM 1215 CD PRO A 78 19.828 -13.433 -39.059 1.00 31.15 C ATOM 0 HA PRO A 78 21.413 -16.190 -39.775 1.00 4.43 H new ATOM 0 HB2 PRO A 78 21.801 -14.160 -41.631 1.00 61.03 H new ATOM 0 HB3 PRO A 78 20.241 -14.942 -41.473 1.00 61.03 H new ATOM 0 HG2 PRO A 78 21.169 -12.320 -40.318 1.00 70.11 H new ATOM 0 HG3 PRO A 78 19.637 -12.707 -41.074 1.00 70.11 H new ATOM 0 HD2 PRO A 78 19.903 -12.595 -38.366 1.00 31.15 H new ATOM 0 HD3 PRO A 78 18.772 -13.694 -39.129 1.00 31.15 H new ATOM 1223 N SER A 79 23.251 -13.809 -38.654 1.00 34.01 N ATOM 1224 CA SER A 79 24.629 -13.433 -38.353 1.00 21.01 C ATOM 1225 C SER A 79 25.262 -14.426 -37.382 1.00 1.21 C ATOM 1226 O SER A 79 26.469 -14.662 -37.419 1.00 44.53 O ATOM 1227 CB SER A 79 24.678 -12.023 -37.763 1.00 32.35 C ATOM 1228 OG SER A 79 25.909 -11.388 -38.063 1.00 23.51 O ATOM 0 H SER A 79 22.547 -13.231 -38.195 1.00 34.01 H new ATOM 0 HA SER A 79 25.196 -13.449 -39.284 1.00 21.01 H new ATOM 0 HB2 SER A 79 23.853 -11.431 -38.159 1.00 32.35 H new ATOM 0 HB3 SER A 79 24.544 -12.073 -36.682 1.00 32.35 H new ATOM 0 HG SER A 79 25.915 -10.488 -37.676 1.00 23.51 H new ATOM 1234 N GLU A 80 24.436 -15.003 -36.515 1.00 41.40 N ATOM 1235 CA GLU A 80 24.916 -15.970 -35.533 1.00 72.34 C ATOM 1236 C GLU A 80 25.053 -17.356 -36.155 1.00 21.05 C ATOM 1237 O GLU A 80 24.465 -17.658 -37.195 1.00 74.53 O ATOM 1238 CB GLU A 80 23.965 -16.028 -34.335 1.00 2.30 C ATOM 1239 CG GLU A 80 24.280 -15.005 -33.257 1.00 10.13 C ATOM 1240 CD GLU A 80 25.706 -15.110 -32.752 1.00 3.42 C ATOM 1241 OE1 GLU A 80 25.940 -15.865 -31.785 1.00 21.22 O1- ATOM 1242 OE2 GLU A 80 26.589 -14.436 -33.323 1.00 15.10 O ATOM 0 H GLU A 80 23.434 -14.819 -36.472 1.00 41.40 H new ATOM 0 HA GLU A 80 25.899 -15.646 -35.192 1.00 72.34 H new ATOM 0 HB2 GLU A 80 22.944 -15.872 -34.684 1.00 2.30 H new ATOM 0 HB3 GLU A 80 24.004 -17.026 -33.899 1.00 2.30 H new ATOM 0 HG2 GLU A 80 24.111 -14.003 -33.652 1.00 10.13 H new ATOM 0 HG3 GLU A 80 23.592 -15.139 -32.422 1.00 10.13 H new ATOM 1249 N PRO A 81 25.848 -18.219 -35.507 1.00 13.13 N ATOM 1250 CA PRO A 81 26.082 -19.587 -35.979 1.00 34.44 C ATOM 1251 C PRO A 81 24.846 -20.469 -35.837 1.00 52.34 C ATOM 1252 O PRO A 81 24.700 -21.198 -34.856 1.00 32.21 O ATOM 1253 CB PRO A 81 27.204 -20.090 -35.066 1.00 71.33 C ATOM 1254 CG PRO A 81 27.076 -19.277 -33.825 1.00 70.53 C ATOM 1255 CD PRO A 81 26.581 -17.926 -34.263 1.00 61.31 C ATOM 0 HA PRO A 81 26.331 -19.615 -37.040 1.00 34.44 H new ATOM 0 HB2 PRO A 81 27.096 -21.154 -34.855 1.00 71.33 H new ATOM 0 HB3 PRO A 81 28.182 -19.955 -35.529 1.00 71.33 H new ATOM 0 HG2 PRO A 81 26.380 -19.740 -33.126 1.00 70.53 H new ATOM 0 HG3 PRO A 81 28.034 -19.194 -33.312 1.00 70.53 H new ATOM 0 HD2 PRO A 81 25.934 -17.472 -33.512 1.00 61.31 H new ATOM 0 HD3 PRO A 81 27.404 -17.233 -34.435 1.00 61.31 H new ATOM 1263 N VAL A 82 23.957 -20.396 -36.823 1.00 53.33 N ATOM 1264 CA VAL A 82 22.733 -21.188 -36.808 1.00 75.02 C ATOM 1265 C VAL A 82 22.921 -22.502 -37.559 1.00 72.11 C ATOM 1266 O VAL A 82 23.861 -22.656 -38.337 1.00 30.20 O ATOM 1267 CB VAL A 82 21.557 -20.416 -37.435 1.00 12.11 C ATOM 1268 CG1 VAL A 82 21.209 -19.198 -36.593 1.00 54.42 C ATOM 1269 CG2 VAL A 82 21.887 -20.010 -38.864 1.00 55.33 C ATOM 0 H VAL A 82 24.062 -19.797 -37.642 1.00 53.33 H new ATOM 0 HA VAL A 82 22.504 -21.398 -35.763 1.00 75.02 H new ATOM 0 HB VAL A 82 20.687 -21.072 -37.460 1.00 12.11 H new ATOM 0 HG11 VAL A 82 20.376 -18.665 -37.051 1.00 54.42 H new ATOM 0 HG12 VAL A 82 20.927 -19.518 -35.590 1.00 54.42 H new ATOM 0 HG13 VAL A 82 22.074 -18.537 -36.534 1.00 54.42 H new ATOM 0 HG21 VAL A 82 21.045 -19.466 -39.291 1.00 55.33 H new ATOM 0 HG22 VAL A 82 22.770 -19.372 -38.866 1.00 55.33 H new ATOM 0 HG23 VAL A 82 22.082 -20.902 -39.460 1.00 55.33 H new ATOM 1279 N VAL A 83 22.018 -23.448 -37.318 1.00 45.51 N ATOM 1280 CA VAL A 83 22.082 -24.750 -37.972 1.00 23.24 C ATOM 1281 C VAL A 83 20.706 -25.402 -38.034 1.00 60.32 C ATOM 1282 O VAL A 83 19.925 -25.323 -37.086 1.00 51.55 O ATOM 1283 CB VAL A 83 23.053 -25.697 -37.242 1.00 54.51 C ATOM 1284 CG1 VAL A 83 22.523 -26.045 -35.860 1.00 32.22 C ATOM 1285 CG2 VAL A 83 23.290 -26.955 -38.065 1.00 63.11 C ATOM 0 H VAL A 83 21.234 -23.337 -36.675 1.00 45.51 H new ATOM 0 HA VAL A 83 22.446 -24.578 -38.985 1.00 23.24 H new ATOM 0 HB VAL A 83 24.008 -25.186 -37.119 1.00 54.51 H new ATOM 0 HG11 VAL A 83 23.223 -26.715 -35.360 1.00 32.22 H new ATOM 0 HG12 VAL A 83 22.411 -25.133 -35.273 1.00 32.22 H new ATOM 0 HG13 VAL A 83 21.555 -26.537 -35.955 1.00 32.22 H new ATOM 0 HG21 VAL A 83 23.978 -27.613 -37.534 1.00 63.11 H new ATOM 0 HG22 VAL A 83 22.343 -27.471 -38.222 1.00 63.11 H new ATOM 0 HG23 VAL A 83 23.719 -26.683 -39.030 1.00 63.11 H new ATOM 1377 N ILE A 90 15.592 -24.399 -37.590 1.00 10.10 N ATOM 1378 CA ILE A 90 16.849 -23.678 -37.433 1.00 62.35 C ATOM 1379 C ILE A 90 17.063 -23.255 -35.982 1.00 75.12 C ATOM 1380 O ILE A 90 16.140 -22.784 -35.321 1.00 35.51 O ATOM 1381 CB ILE A 90 16.900 -22.429 -38.332 1.00 41.43 C ATOM 1382 CG1 ILE A 90 16.545 -22.797 -39.774 1.00 0.30 C ATOM 1383 CG2 ILE A 90 18.276 -21.784 -38.268 1.00 75.22 C ATOM 1384 CD1 ILE A 90 17.540 -23.735 -40.420 1.00 52.12 C ATOM 0 HA ILE A 90 17.643 -24.362 -37.732 1.00 62.35 H new ATOM 0 HB ILE A 90 16.167 -21.709 -37.969 1.00 41.43 H new ATOM 0 HG12 ILE A 90 15.558 -23.260 -39.790 1.00 0.30 H new ATOM 0 HG13 ILE A 90 16.479 -21.885 -40.368 1.00 0.30 H new ATOM 0 HG21 ILE A 90 18.295 -20.903 -38.909 1.00 75.22 H new ATOM 0 HG22 ILE A 90 18.493 -21.490 -37.241 1.00 75.22 H new ATOM 0 HG23 ILE A 90 19.028 -22.496 -38.608 1.00 75.22 H new ATOM 0 HD11 ILE A 90 17.225 -23.953 -41.441 1.00 52.12 H new ATOM 0 HD12 ILE A 90 18.524 -23.267 -40.436 1.00 52.12 H new ATOM 0 HD13 ILE A 90 17.589 -24.663 -39.850 1.00 52.12 H new ATOM 1396 N ASN A 91 18.288 -23.427 -35.496 1.00 74.31 N ATOM 1397 CA ASN A 91 18.623 -23.063 -34.125 1.00 40.23 C ATOM 1398 C ASN A 91 20.050 -22.528 -34.037 1.00 12.32 C ATOM 1399 O ASN A 91 20.875 -22.785 -34.913 1.00 61.32 O ATOM 1400 CB ASN A 91 18.462 -24.270 -33.199 1.00 75.11 C ATOM 1401 CG ASN A 91 19.045 -25.537 -33.796 1.00 53.20 C ATOM 1402 OD1 ASN A 91 18.532 -26.065 -34.783 1.00 42.42 O ATOM 1403 ND2 ASN A 91 20.122 -26.032 -33.197 1.00 13.21 N ATOM 0 H ASN A 91 19.064 -23.816 -36.031 1.00 74.31 H new ATOM 0 HA ASN A 91 17.938 -22.277 -33.808 1.00 40.23 H new ATOM 0 HB2 ASN A 91 18.950 -24.062 -32.247 1.00 75.11 H new ATOM 0 HB3 ASN A 91 17.404 -24.424 -32.988 1.00 75.11 H new ATOM 0 HD21 ASN A 91 20.558 -26.883 -33.553 1.00 13.21 H new ATOM 0 HD22 ASN A 91 20.514 -25.561 -32.381 1.00 13.21 H new ATOM 1410 N ASN A 92 20.332 -21.783 -32.974 1.00 4.32 N ATOM 1411 CA ASN A 92 21.660 -21.212 -32.771 1.00 54.51 C ATOM 1412 C ASN A 92 22.621 -22.256 -32.211 1.00 33.33 C ATOM 1413 O ASN A 92 22.220 -23.374 -31.884 1.00 14.13 O ATOM 1414 CB ASN A 92 21.583 -20.013 -31.824 1.00 61.45 C ATOM 1415 CG ASN A 92 20.741 -18.884 -32.387 1.00 60.54 C ATOM 1416 OD1 ASN A 92 19.655 -18.596 -31.885 1.00 53.33 O ATOM 1417 ND2 ASN A 92 21.240 -18.240 -33.435 1.00 23.44 N ATOM 0 H ASN A 92 19.660 -21.560 -32.240 1.00 4.32 H new ATOM 0 HA ASN A 92 22.037 -20.879 -33.738 1.00 54.51 H new ATOM 0 HB2 ASN A 92 21.165 -20.333 -30.870 1.00 61.45 H new ATOM 0 HB3 ASN A 92 22.590 -19.647 -31.624 1.00 61.45 H new ATOM 0 HD21 ASN A 92 20.719 -17.472 -33.857 1.00 23.44 H new ATOM 0 HD22 ASN A 92 22.145 -18.513 -33.818 1.00 23.44 H new ATOM 1424 N LEU A 93 23.891 -21.883 -32.103 1.00 32.05 N ATOM 1425 CA LEU A 93 24.912 -22.787 -31.582 1.00 34.14 C ATOM 1426 C LEU A 93 25.906 -22.036 -30.702 1.00 2.14 C ATOM 1427 O LEU A 93 26.506 -21.050 -31.129 1.00 5.21 O ATOM 1428 CB LEU A 93 25.649 -23.473 -32.734 1.00 74.14 C ATOM 1429 CG LEU A 93 25.841 -24.985 -32.603 1.00 42.32 C ATOM 1430 CD1 LEU A 93 26.531 -25.544 -33.837 1.00 3.13 C ATOM 1431 CD2 LEU A 93 26.639 -25.314 -31.348 1.00 72.43 C ATOM 0 H LEU A 93 24.239 -20.962 -32.369 1.00 32.05 H new ATOM 0 HA LEU A 93 24.417 -23.544 -30.974 1.00 34.14 H new ATOM 0 HB2 LEU A 93 25.104 -23.275 -33.657 1.00 74.14 H new ATOM 0 HB3 LEU A 93 26.630 -23.010 -32.838 1.00 74.14 H new ATOM 0 HG LEU A 93 24.859 -25.451 -32.518 1.00 42.32 H new ATOM 0 HD11 LEU A 93 26.659 -26.621 -33.726 1.00 3.13 H new ATOM 0 HD12 LEU A 93 25.922 -25.340 -34.718 1.00 3.13 H new ATOM 0 HD13 LEU A 93 27.507 -25.073 -33.953 1.00 3.13 H new ATOM 0 HD21 LEU A 93 26.766 -26.394 -31.270 1.00 72.43 H new ATOM 0 HD22 LEU A 93 27.617 -24.836 -31.403 1.00 72.43 H new ATOM 0 HD23 LEU A 93 26.105 -24.948 -30.471 1.00 72.43 H new ATOM 1443 N ILE A 94 26.076 -22.511 -29.473 1.00 14.30 N ATOM 1444 CA ILE A 94 26.999 -21.887 -28.534 1.00 21.03 C ATOM 1445 C ILE A 94 28.044 -22.885 -28.045 1.00 2.32 C ATOM 1446 O ILE A 94 27.751 -24.067 -27.862 1.00 25.24 O ATOM 1447 CB ILE A 94 26.256 -21.301 -27.319 1.00 25.21 C ATOM 1448 CG1 ILE A 94 27.251 -20.678 -26.338 1.00 25.24 C ATOM 1449 CG2 ILE A 94 25.431 -22.380 -26.632 1.00 53.44 C ATOM 1450 CD1 ILE A 94 26.743 -19.412 -25.685 1.00 45.44 C ATOM 0 H ILE A 94 25.586 -23.326 -29.104 1.00 14.30 H new ATOM 0 HA ILE A 94 27.496 -21.078 -29.070 1.00 21.03 H new ATOM 0 HB ILE A 94 25.580 -20.520 -27.667 1.00 25.21 H new ATOM 0 HG12 ILE A 94 27.489 -21.407 -25.563 1.00 25.24 H new ATOM 0 HG13 ILE A 94 28.179 -20.458 -26.865 1.00 25.24 H new ATOM 0 HG21 ILE A 94 24.912 -21.951 -25.775 1.00 53.44 H new ATOM 0 HG22 ILE A 94 24.701 -22.782 -27.334 1.00 53.44 H new ATOM 0 HG23 ILE A 94 26.089 -23.181 -26.294 1.00 53.44 H new ATOM 0 HD11 ILE A 94 27.500 -19.026 -25.002 1.00 45.44 H new ATOM 0 HD12 ILE A 94 26.531 -18.667 -26.452 1.00 45.44 H new ATOM 0 HD13 ILE A 94 25.831 -19.630 -25.129 1.00 45.44 H new ATOM 1462 N HIS A 95 29.263 -22.400 -27.834 1.00 34.15 N ATOM 1463 CA HIS A 95 30.353 -23.248 -27.362 1.00 64.32 C ATOM 1464 C HIS A 95 31.081 -22.597 -26.191 1.00 64.02 C ATOM 1465 O HIS A 95 31.723 -21.558 -26.346 1.00 35.41 O ATOM 1466 CB HIS A 95 31.336 -23.529 -28.498 1.00 24.45 C ATOM 1467 CG HIS A 95 30.675 -23.954 -29.773 1.00 31.14 C ATOM 1468 ND1 HIS A 95 30.015 -23.077 -30.607 1.00 4.01 N ATOM 1469 CD2 HIS A 95 30.577 -25.172 -30.356 1.00 34.13 C ATOM 1470 CE1 HIS A 95 29.537 -23.736 -31.647 1.00 5.54 C ATOM 1471 NE2 HIS A 95 29.864 -25.010 -31.519 1.00 74.23 N ATOM 0 H HIS A 95 29.522 -21.424 -27.982 1.00 34.15 H new ATOM 0 HA HIS A 95 29.925 -24.191 -27.020 1.00 64.32 H new ATOM 0 HB2 HIS A 95 31.926 -22.632 -28.686 1.00 24.45 H new ATOM 0 HB3 HIS A 95 32.030 -24.307 -28.182 1.00 24.45 H new ATOM 0 HD2 HIS A 95 30.984 -26.098 -29.977 1.00 34.13 H new ATOM 0 HE1 HIS A 95 28.975 -23.307 -32.463 1.00 5.54 H new ATOM 0 HE2 HIS A 95 29.626 -25.752 -32.177 1.00 74.23 H new ATOM 1479 N VAL A 96 30.976 -23.214 -25.018 1.00 71.10 N ATOM 1480 CA VAL A 96 31.625 -22.695 -23.820 1.00 11.24 C ATOM 1481 C VAL A 96 32.924 -23.439 -23.533 1.00 23.32 C ATOM 1482 O VAL A 96 33.015 -24.652 -23.729 1.00 52.24 O ATOM 1483 CB VAL A 96 30.702 -22.801 -22.591 1.00 22.23 C ATOM 1484 CG1 VAL A 96 31.447 -22.393 -21.329 1.00 42.13 C ATOM 1485 CG2 VAL A 96 29.458 -21.948 -22.786 1.00 41.02 C ATOM 0 H VAL A 96 30.447 -24.074 -24.872 1.00 71.10 H new ATOM 0 HA VAL A 96 31.846 -21.645 -24.009 1.00 11.24 H new ATOM 0 HB VAL A 96 30.389 -23.839 -22.480 1.00 22.23 H new ATOM 0 HG11 VAL A 96 30.780 -22.474 -20.471 1.00 42.13 H new ATOM 0 HG12 VAL A 96 32.305 -23.049 -21.185 1.00 42.13 H new ATOM 0 HG13 VAL A 96 31.790 -21.363 -21.426 1.00 42.13 H new ATOM 0 HG21 VAL A 96 28.817 -22.034 -21.909 1.00 41.02 H new ATOM 0 HG22 VAL A 96 29.749 -20.906 -22.922 1.00 41.02 H new ATOM 0 HG23 VAL A 96 28.916 -22.291 -23.667 1.00 41.02 H new