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 X(o=-0.87,f=-1.2) USER MOD Set 1.2: A 91 ASN : amide:sc= -0.868 K(o=-0.87,f=-2.2) USER MOD Set 2.1: A 34 SER OG : rot 94:sc= 1.13 USER MOD Set 2.2: A 38 ASN : amide:sc= -3.83! C(o=-2.7!,f=-8.1!) USER MOD Single : A 20 THR OG1 : rot 170:sc= -1.55 USER MOD Single : A 25 SER OG : rot 20:sc= 1.08 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= -0.0069 K(o=-0.0069,f=-1.2) USER MOD Single : A 41 SER OG : rot 55:sc= 0.0119 USER MOD Single : A 42 THR OG1 : rot 180:sc=-0.00212 USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= 1.89 (180deg=1.1) 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=-0.1) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.635 F(o=-1.2,f=-0.63) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 164:sc= 0.582 (180deg=0.136) USER MOD Single : A 73 GLN : amide:sc= -0.0235 K(o=-0.023,f=-1.1!) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -1.09 F(o=-3.3!,f=-1.1) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN :FLIP amide:sc= -0.126 F(o=-0.7,f=-0.13) USER MOD Single : A 95 HIS : no HE2:sc= -2.94 K(o=-2.9,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 233 N ALA A 17 29.286 -22.695 -13.338 1.00 12.42 N ATOM 234 CA ALA A 17 29.618 -22.644 -14.756 1.00 42.35 C ATOM 235 C ALA A 17 29.708 -21.202 -15.247 1.00 62.44 C ATOM 236 O ALA A 17 29.204 -20.285 -14.601 1.00 42.53 O ATOM 237 CB ALA A 17 28.591 -23.418 -15.568 1.00 33.33 C ATOM 0 HA ALA A 17 30.595 -23.108 -14.892 1.00 42.35 H new ATOM 0 HB1 ALA A 17 28.852 -23.371 -16.625 1.00 33.33 H new ATOM 0 HB2 ALA A 17 28.579 -24.458 -15.243 1.00 33.33 H new ATOM 0 HB3 ALA A 17 27.604 -22.980 -15.418 1.00 33.33 H new ATOM 243 N ARG A 18 30.353 -21.012 -16.394 1.00 70.43 N ATOM 244 CA ARG A 18 30.510 -19.681 -16.970 1.00 32.44 C ATOM 245 C ARG A 18 29.215 -19.222 -17.633 1.00 34.41 C ATOM 246 O ARG A 18 28.385 -20.025 -18.056 1.00 12.32 O ATOM 247 CB ARG A 18 31.649 -19.676 -17.990 1.00 12.31 C ATOM 248 CG ARG A 18 32.976 -19.199 -17.420 1.00 64.34 C ATOM 249 CD ARG A 18 33.646 -18.190 -18.338 1.00 1.20 C ATOM 250 NE ARG A 18 33.503 -16.822 -17.847 1.00 31.54 N ATOM 251 CZ ARG A 18 33.937 -15.754 -18.506 1.00 74.52 C ATOM 252 NH1 ARG A 18 34.538 -15.895 -19.680 1.00 5.14 N1+ ATOM 253 NH2 ARG A 18 33.770 -14.542 -17.993 1.00 25.53 N ATOM 0 H ARG A 18 30.775 -21.762 -16.942 1.00 70.43 H new ATOM 0 HA ARG A 18 30.751 -18.988 -16.164 1.00 32.44 H new ATOM 0 HB2 ARG A 18 31.775 -20.684 -18.386 1.00 12.31 H new ATOM 0 HB3 ARG A 18 31.372 -19.036 -18.828 1.00 12.31 H new ATOM 0 HG2 ARG A 18 32.812 -18.749 -16.441 1.00 64.34 H new ATOM 0 HG3 ARG A 18 33.637 -20.053 -17.272 1.00 64.34 H new ATOM 0 HD2 ARG A 18 34.705 -18.432 -18.432 1.00 1.20 H new ATOM 0 HD3 ARG A 18 33.213 -18.264 -19.335 1.00 1.20 H new ATOM 0 HE ARG A 18 33.044 -16.679 -16.947 1.00 31.54 H new ATOM 0 HH11 ARG A 18 34.667 -16.825 -20.078 1.00 5.14 H new ATOM 0 HH12 ARG A 18 34.871 -15.073 -20.185 1.00 5.14 H new ATOM 0 HH21 ARG A 18 33.308 -14.429 -17.091 1.00 25.53 H new ATOM 0 HH22 ARG A 18 34.104 -13.723 -18.501 1.00 25.53 H new ATOM 267 N PRO A 19 29.038 -17.895 -17.729 1.00 3.15 N ATOM 268 CA PRO A 19 27.848 -17.297 -18.340 1.00 23.40 C ATOM 269 C PRO A 19 27.802 -17.510 -19.849 1.00 70.32 C ATOM 270 O PRO A 19 28.808 -17.859 -20.469 1.00 5.33 O ATOM 271 CB PRO A 19 27.991 -15.808 -18.015 1.00 44.10 C ATOM 272 CG PRO A 19 29.455 -15.599 -17.835 1.00 71.22 C ATOM 273 CD PRO A 19 29.987 -16.877 -17.247 1.00 71.44 C ATOM 0 HA PRO A 19 26.928 -17.743 -17.961 1.00 23.40 H new ATOM 0 HB2 PRO A 19 27.599 -15.187 -18.821 1.00 44.10 H new ATOM 0 HB3 PRO A 19 27.440 -15.545 -17.112 1.00 44.10 H new ATOM 0 HG2 PRO A 19 29.937 -15.377 -18.787 1.00 71.22 H new ATOM 0 HG3 PRO A 19 29.650 -14.754 -17.174 1.00 71.22 H new ATOM 0 HD2 PRO A 19 31.003 -17.083 -17.585 1.00 71.44 H new ATOM 0 HD3 PRO A 19 30.015 -16.837 -16.158 1.00 71.44 H new ATOM 281 N THR A 20 26.628 -17.297 -20.438 1.00 62.41 N ATOM 282 CA THR A 20 26.452 -17.467 -21.874 1.00 11.43 C ATOM 283 C THR A 20 26.574 -16.134 -22.604 1.00 21.11 C ATOM 284 O THR A 20 26.362 -15.072 -22.017 1.00 33.42 O ATOM 285 CB THR A 20 25.085 -18.096 -22.202 1.00 72.41 C ATOM 286 OG1 THR A 20 25.051 -18.507 -23.573 1.00 51.10 O ATOM 287 CG2 THR A 20 23.957 -17.111 -21.934 1.00 52.22 C ATOM 0 H THR A 20 25.786 -17.006 -19.941 1.00 62.41 H new ATOM 0 HA THR A 20 27.242 -18.137 -22.212 1.00 11.43 H new ATOM 0 HB THR A 20 24.947 -18.965 -21.559 1.00 72.41 H new ATOM 0 HG1 THR A 20 24.249 -19.047 -23.733 1.00 51.10 H new ATOM 0 HG21 THR A 20 23.002 -17.578 -22.173 1.00 52.22 H new ATOM 0 HG22 THR A 20 23.967 -16.823 -20.883 1.00 52.22 H new ATOM 0 HG23 THR A 20 24.093 -16.225 -22.554 1.00 52.22 H new ATOM 295 N VAL A 21 26.915 -16.197 -23.887 1.00 64.42 N ATOM 296 CA VAL A 21 27.062 -14.994 -24.698 1.00 34.44 C ATOM 297 C VAL A 21 25.889 -14.831 -25.658 1.00 4.33 C ATOM 298 O VAL A 21 25.847 -15.460 -26.715 1.00 53.11 O ATOM 299 CB VAL A 21 28.373 -15.019 -25.507 1.00 74.51 C ATOM 300 CG1 VAL A 21 28.579 -13.698 -26.233 1.00 1.42 C ATOM 301 CG2 VAL A 21 29.554 -15.326 -24.597 1.00 42.33 C ATOM 0 H VAL A 21 27.095 -17.068 -24.387 1.00 64.42 H new ATOM 0 HA VAL A 21 27.084 -14.149 -24.009 1.00 34.44 H new ATOM 0 HB VAL A 21 28.303 -15.809 -26.254 1.00 74.51 H new ATOM 0 HG11 VAL A 21 29.510 -13.735 -26.799 1.00 1.42 H new ATOM 0 HG12 VAL A 21 27.747 -13.524 -26.915 1.00 1.42 H new ATOM 0 HG13 VAL A 21 28.628 -12.887 -25.506 1.00 1.42 H new ATOM 0 HG21 VAL A 21 30.472 -15.340 -25.184 1.00 42.33 H new ATOM 0 HG22 VAL A 21 29.628 -14.559 -23.826 1.00 42.33 H new ATOM 0 HG23 VAL A 21 29.409 -16.299 -24.128 1.00 42.33 H new ATOM 311 N ILE A 22 24.939 -13.981 -25.283 1.00 22.23 N ATOM 312 CA ILE A 22 23.765 -13.735 -26.111 1.00 2.23 C ATOM 313 C ILE A 22 23.525 -12.239 -26.293 1.00 11.25 C ATOM 314 O ILE A 22 23.663 -11.459 -25.351 1.00 71.43 O ATOM 315 CB ILE A 22 22.502 -14.375 -25.505 1.00 43.10 C ATOM 316 CG1 ILE A 22 22.384 -15.836 -25.946 1.00 14.22 C ATOM 317 CG2 ILE A 22 21.263 -13.592 -25.912 1.00 73.20 C ATOM 318 CD1 ILE A 22 22.927 -16.819 -24.931 1.00 75.24 C ATOM 0 H ILE A 22 24.959 -13.451 -24.412 1.00 22.23 H new ATOM 0 HA ILE A 22 23.963 -14.191 -27.081 1.00 2.23 H new ATOM 0 HB ILE A 22 22.584 -14.347 -24.418 1.00 43.10 H new ATOM 0 HG12 ILE A 22 21.336 -16.066 -26.138 1.00 14.22 H new ATOM 0 HG13 ILE A 22 22.917 -15.967 -26.888 1.00 14.22 H new ATOM 0 HG21 ILE A 22 20.379 -14.057 -25.476 1.00 73.20 H new ATOM 0 HG22 ILE A 22 21.347 -12.566 -25.554 1.00 73.20 H new ATOM 0 HG23 ILE A 22 21.174 -13.591 -26.998 1.00 73.20 H new ATOM 0 HD11 ILE A 22 22.811 -17.834 -25.310 1.00 75.24 H new ATOM 0 HD12 ILE A 22 23.984 -16.616 -24.757 1.00 75.24 H new ATOM 0 HD13 ILE A 22 22.378 -16.716 -23.995 1.00 75.24 H new ATOM 330 N ARG A 23 23.165 -11.847 -27.511 1.00 22.13 N ATOM 331 CA ARG A 23 22.905 -10.446 -27.816 1.00 2.21 C ATOM 332 C ARG A 23 21.900 -10.315 -28.957 1.00 24.52 C ATOM 333 O ARG A 23 22.224 -10.570 -30.116 1.00 2.42 O ATOM 334 CB ARG A 23 24.207 -9.732 -28.186 1.00 42.34 C ATOM 335 CG ARG A 23 24.994 -10.432 -29.282 1.00 24.01 C ATOM 336 CD ARG A 23 26.426 -9.923 -29.351 1.00 73.43 C ATOM 337 NE ARG A 23 27.204 -10.614 -30.375 1.00 13.23 N ATOM 338 CZ ARG A 23 28.530 -10.592 -30.430 1.00 71.22 C ATOM 339 NH1 ARG A 23 29.224 -9.918 -29.524 1.00 41.22 N1+ ATOM 340 NH2 ARG A 23 29.168 -11.246 -31.394 1.00 52.22 N ATOM 0 H ARG A 23 23.047 -12.480 -28.302 1.00 22.13 H new ATOM 0 HA ARG A 23 22.482 -9.979 -26.926 1.00 2.21 H new ATOM 0 HB2 ARG A 23 23.976 -8.717 -28.508 1.00 42.34 H new ATOM 0 HB3 ARG A 23 24.832 -9.650 -27.297 1.00 42.34 H new ATOM 0 HG2 ARG A 23 24.997 -11.507 -29.100 1.00 24.01 H new ATOM 0 HG3 ARG A 23 24.503 -10.273 -30.242 1.00 24.01 H new ATOM 0 HD2 ARG A 23 26.421 -8.853 -29.560 1.00 73.43 H new ATOM 0 HD3 ARG A 23 26.905 -10.056 -28.381 1.00 73.43 H new ATOM 0 HE ARG A 23 26.701 -11.143 -31.087 1.00 13.23 H new ATOM 0 HH11 ARG A 23 28.739 -9.414 -28.781 1.00 41.22 H new ATOM 0 HH12 ARG A 23 30.243 -9.903 -29.569 1.00 41.22 H new ATOM 0 HH21 ARG A 23 28.639 -11.766 -32.094 1.00 52.22 H new ATOM 0 HH22 ARG A 23 30.187 -11.228 -31.435 1.00 52.22 H new ATOM 354 N TRP A 24 20.678 -9.918 -28.618 1.00 71.11 N ATOM 355 CA TRP A 24 19.625 -9.754 -29.613 1.00 14.11 C ATOM 356 C TRP A 24 19.063 -8.336 -29.584 1.00 74.11 C ATOM 357 O TRP A 24 18.662 -7.840 -28.532 1.00 40.02 O ATOM 358 CB TRP A 24 18.503 -10.765 -29.369 1.00 23.53 C ATOM 359 CG TRP A 24 17.299 -10.536 -30.232 1.00 21.02 C ATOM 360 CD1 TRP A 24 16.259 -9.688 -29.980 1.00 70.23 C ATOM 361 CD2 TRP A 24 17.010 -11.166 -31.485 1.00 12.13 C ATOM 362 NE1 TRP A 24 15.341 -9.752 -31.000 1.00 1.03 N ATOM 363 CE2 TRP A 24 15.779 -10.650 -31.936 1.00 63.20 C ATOM 364 CE3 TRP A 24 17.672 -12.113 -32.271 1.00 55.20 C ATOM 365 CZ2 TRP A 24 15.199 -11.053 -33.136 1.00 23.31 C ATOM 366 CZ3 TRP A 24 17.095 -12.511 -33.462 1.00 13.34 C ATOM 367 CH2 TRP A 24 15.869 -11.982 -33.885 1.00 42.54 C ATOM 0 H TRP A 24 20.393 -9.704 -27.662 1.00 71.11 H new ATOM 0 HA TRP A 24 20.059 -9.932 -30.597 1.00 14.11 H new ATOM 0 HB2 TRP A 24 18.884 -11.770 -29.549 1.00 23.53 H new ATOM 0 HB3 TRP A 24 18.204 -10.720 -28.322 1.00 23.53 H new ATOM 0 HD1 TRP A 24 16.171 -9.059 -29.107 1.00 70.23 H new ATOM 0 HE1 TRP A 24 14.474 -9.217 -31.052 1.00 1.03 H new ATOM 0 HE3 TRP A 24 18.618 -12.527 -31.953 1.00 55.20 H new ATOM 0 HZ2 TRP A 24 14.254 -10.647 -33.464 1.00 23.31 H new ATOM 0 HZ3 TRP A 24 17.598 -13.242 -34.077 1.00 13.34 H new ATOM 0 HH2 TRP A 24 15.444 -12.314 -34.821 1.00 42.54 H new ATOM 378 N SER A 25 19.038 -7.691 -30.746 1.00 14.13 N ATOM 379 CA SER A 25 18.529 -6.328 -30.852 1.00 42.24 C ATOM 380 C SER A 25 17.481 -6.224 -31.955 1.00 64.44 C ATOM 381 O SER A 25 17.800 -6.318 -33.139 1.00 51.21 O ATOM 382 CB SER A 25 19.675 -5.353 -31.128 1.00 73.05 C ATOM 383 OG SER A 25 20.212 -5.553 -32.424 1.00 65.11 O ATOM 0 H SER A 25 19.364 -8.090 -31.627 1.00 14.13 H new ATOM 0 HA SER A 25 18.060 -6.067 -29.903 1.00 42.24 H new ATOM 0 HB2 SER A 25 19.316 -4.328 -31.034 1.00 73.05 H new ATOM 0 HB3 SER A 25 20.458 -5.486 -30.382 1.00 73.05 H new ATOM 0 HG SER A 25 19.564 -6.039 -32.975 1.00 65.11 H new ATOM 389 N GLU A 26 16.227 -6.031 -31.555 1.00 53.54 N ATOM 390 CA GLU A 26 15.131 -5.915 -32.510 1.00 53.15 C ATOM 391 C GLU A 26 14.120 -4.867 -32.052 1.00 73.25 C ATOM 392 O GLU A 26 13.993 -3.805 -32.660 1.00 53.42 O ATOM 393 CB GLU A 26 14.437 -7.267 -32.688 1.00 25.03 C ATOM 394 CG GLU A 26 13.426 -7.286 -33.822 1.00 61.21 C ATOM 395 CD GLU A 26 12.023 -6.944 -33.360 1.00 62.40 C ATOM 396 OE1 GLU A 26 11.440 -7.739 -32.594 1.00 63.14 O1- ATOM 397 OE2 GLU A 26 11.509 -5.880 -33.765 1.00 31.44 O ATOM 0 H GLU A 26 15.946 -5.952 -30.578 1.00 53.54 H new ATOM 0 HA GLU A 26 15.547 -5.599 -33.467 1.00 53.15 H new ATOM 0 HB2 GLU A 26 15.191 -8.032 -32.872 1.00 25.03 H new ATOM 0 HB3 GLU A 26 13.933 -7.533 -31.759 1.00 25.03 H new ATOM 0 HG2 GLU A 26 13.734 -6.577 -34.590 1.00 61.21 H new ATOM 0 HG3 GLU A 26 13.422 -8.274 -34.283 1.00 61.21 H new ATOM 404 N GLY A 27 13.403 -5.176 -30.976 1.00 44.43 N ATOM 405 CA GLY A 27 12.412 -4.252 -30.456 1.00 31.34 C ATOM 406 C GLY A 27 11.049 -4.896 -30.292 1.00 63.32 C ATOM 407 O GLY A 27 10.021 -4.245 -30.474 1.00 61.55 O ATOM 0 H GLY A 27 13.491 -6.049 -30.456 1.00 44.43 H new ATOM 0 HA2 GLY A 27 12.748 -3.868 -29.493 1.00 31.34 H new ATOM 0 HA3 GLY A 27 12.328 -3.398 -31.128 1.00 31.34 H new ATOM 411 N GLY A 28 11.040 -6.181 -29.949 1.00 21.34 N ATOM 412 CA GLY A 28 9.788 -6.892 -29.769 1.00 62.33 C ATOM 413 C GLY A 28 9.121 -6.566 -28.446 1.00 50.05 C ATOM 414 O GLY A 28 9.342 -5.496 -27.878 1.00 23.31 O ATOM 0 H GLY A 28 11.878 -6.742 -29.793 1.00 21.34 H new ATOM 0 HA2 GLY A 28 9.111 -6.641 -30.585 1.00 62.33 H new ATOM 0 HA3 GLY A 28 9.972 -7.965 -29.825 1.00 62.33 H new ATOM 418 N LYS A 29 8.303 -7.490 -27.955 1.00 15.42 N ATOM 419 CA LYS A 29 7.601 -7.298 -26.692 1.00 45.44 C ATOM 420 C LYS A 29 8.239 -8.128 -25.583 1.00 12.10 C ATOM 421 O LYS A 29 8.276 -7.710 -24.426 1.00 63.53 O ATOM 422 CB LYS A 29 6.126 -7.675 -26.842 1.00 41.32 C ATOM 423 CG LYS A 29 5.390 -6.851 -27.884 1.00 72.44 C ATOM 424 CD LYS A 29 4.834 -5.568 -27.289 1.00 52.45 C ATOM 425 CE LYS A 29 5.845 -4.434 -27.364 1.00 71.52 C ATOM 426 NZ LYS A 29 5.183 -3.101 -27.376 1.00 53.32 N1+ ATOM 0 H LYS A 29 8.110 -8.381 -28.413 1.00 15.42 H new ATOM 0 HA LYS A 29 7.674 -6.245 -26.421 1.00 45.44 H new ATOM 0 HB2 LYS A 29 6.055 -8.730 -27.108 1.00 41.32 H new ATOM 0 HB3 LYS A 29 5.629 -7.555 -25.879 1.00 41.32 H new ATOM 0 HG2 LYS A 29 6.067 -6.610 -28.703 1.00 72.44 H new ATOM 0 HG3 LYS A 29 4.576 -7.440 -28.306 1.00 72.44 H new ATOM 0 HD2 LYS A 29 3.926 -5.283 -27.821 1.00 52.45 H new ATOM 0 HD3 LYS A 29 4.554 -5.739 -26.249 1.00 52.45 H new ATOM 0 HE2 LYS A 29 6.523 -4.495 -26.513 1.00 71.52 H new ATOM 0 HE3 LYS A 29 6.451 -4.547 -28.263 1.00 71.52 H new ATOM 0 HZ1 LYS A 29 5.906 -2.355 -27.428 1.00 53.32 H new ATOM 0 HZ2 LYS A 29 4.555 -3.033 -28.202 1.00 53.32 H new ATOM 0 HZ3 LYS A 29 4.625 -2.983 -26.506 1.00 53.32 H new ATOM 440 N GLU A 30 8.742 -9.304 -25.944 1.00 44.21 N ATOM 441 CA GLU A 30 9.379 -10.192 -24.980 1.00 11.54 C ATOM 442 C GLU A 30 10.313 -11.176 -25.678 1.00 2.32 C ATOM 443 O GLU A 30 9.915 -11.867 -26.616 1.00 51.51 O ATOM 444 CB GLU A 30 8.322 -10.955 -24.180 1.00 14.34 C ATOM 445 CG GLU A 30 7.381 -11.777 -25.044 1.00 21.41 C ATOM 446 CD GLU A 30 6.098 -12.146 -24.324 1.00 54.10 C ATOM 447 OE1 GLU A 30 5.730 -11.436 -23.365 1.00 74.24 O1- ATOM 448 OE2 GLU A 30 5.463 -13.145 -24.719 1.00 2.20 O ATOM 0 H GLU A 30 8.720 -9.664 -26.898 1.00 44.21 H new ATOM 0 HA GLU A 30 9.970 -9.580 -24.298 1.00 11.54 H new ATOM 0 HB2 GLU A 30 8.822 -11.616 -23.471 1.00 14.34 H new ATOM 0 HB3 GLU A 30 7.738 -10.244 -23.596 1.00 14.34 H new ATOM 0 HG2 GLU A 30 7.138 -11.215 -25.946 1.00 21.41 H new ATOM 0 HG3 GLU A 30 7.889 -12.687 -25.363 1.00 21.41 H new ATOM 455 N VAL A 31 11.558 -11.232 -25.216 1.00 1.21 N ATOM 456 CA VAL A 31 12.548 -12.131 -25.794 1.00 20.01 C ATOM 457 C VAL A 31 12.930 -13.234 -24.814 1.00 24.24 C ATOM 458 O VAL A 31 13.202 -12.972 -23.642 1.00 60.13 O ATOM 459 CB VAL A 31 13.821 -11.370 -26.213 1.00 74.23 C ATOM 460 CG1 VAL A 31 14.796 -12.303 -26.913 1.00 21.21 C ATOM 461 CG2 VAL A 31 13.465 -10.189 -27.105 1.00 53.33 C ATOM 0 H VAL A 31 11.905 -10.665 -24.442 1.00 1.21 H new ATOM 0 HA VAL A 31 12.091 -12.577 -26.678 1.00 20.01 H new ATOM 0 HB VAL A 31 14.306 -10.986 -25.316 1.00 74.23 H new ATOM 0 HG11 VAL A 31 15.688 -11.747 -27.201 1.00 21.21 H new ATOM 0 HG12 VAL A 31 15.075 -13.112 -26.237 1.00 21.21 H new ATOM 0 HG13 VAL A 31 14.325 -12.720 -27.803 1.00 21.21 H new ATOM 0 HG21 VAL A 31 14.375 -9.662 -27.392 1.00 53.33 H new ATOM 0 HG22 VAL A 31 12.957 -10.549 -28.000 1.00 53.33 H new ATOM 0 HG23 VAL A 31 12.808 -9.509 -26.563 1.00 53.33 H new ATOM 471 N PHE A 32 12.947 -14.471 -25.300 1.00 63.42 N ATOM 472 CA PHE A 32 13.294 -15.616 -24.467 1.00 64.12 C ATOM 473 C PHE A 32 14.293 -16.524 -25.179 1.00 21.54 C ATOM 474 O PHE A 32 14.307 -16.604 -26.407 1.00 42.43 O ATOM 475 CB PHE A 32 12.037 -16.409 -24.103 1.00 75.51 C ATOM 476 CG PHE A 32 11.129 -15.687 -23.148 1.00 43.43 C ATOM 477 CD1 PHE A 32 11.323 -15.782 -21.780 1.00 72.34 C ATOM 478 CD2 PHE A 32 10.080 -14.914 -23.619 1.00 62.05 C ATOM 479 CE1 PHE A 32 10.490 -15.120 -20.898 1.00 32.23 C ATOM 480 CE2 PHE A 32 9.243 -14.248 -22.743 1.00 3.23 C ATOM 481 CZ PHE A 32 9.448 -14.352 -21.381 1.00 24.12 C ATOM 0 H PHE A 32 12.724 -14.706 -26.267 1.00 63.42 H new ATOM 0 HA PHE A 32 13.756 -15.242 -23.554 1.00 64.12 H new ATOM 0 HB2 PHE A 32 11.485 -16.638 -25.014 1.00 75.51 H new ATOM 0 HB3 PHE A 32 12.332 -17.361 -23.662 1.00 75.51 H new ATOM 0 HD1 PHE A 32 12.136 -16.381 -21.397 1.00 72.34 H new ATOM 0 HD2 PHE A 32 9.914 -14.831 -24.683 1.00 62.05 H new ATOM 0 HE1 PHE A 32 10.653 -15.203 -19.834 1.00 32.23 H new ATOM 0 HE2 PHE A 32 8.430 -13.647 -23.123 1.00 3.23 H new ATOM 0 HZ PHE A 32 8.795 -13.834 -20.695 1.00 24.12 H new ATOM 491 N ILE A 33 15.124 -17.205 -24.398 1.00 13.35 N ATOM 492 CA ILE A 33 16.125 -18.107 -24.953 1.00 22.33 C ATOM 493 C ILE A 33 15.968 -19.516 -24.391 1.00 62.43 C ATOM 494 O ILE A 33 15.649 -19.694 -23.215 1.00 63.03 O ATOM 495 CB ILE A 33 17.554 -17.609 -24.664 1.00 13.21 C ATOM 496 CG1 ILE A 33 18.580 -18.490 -25.380 1.00 10.32 C ATOM 497 CG2 ILE A 33 17.816 -17.592 -23.166 1.00 22.30 C ATOM 498 CD1 ILE A 33 20.014 -18.142 -25.048 1.00 22.31 C ATOM 0 H ILE A 33 15.124 -17.149 -23.380 1.00 13.35 H new ATOM 0 HA ILE A 33 15.967 -18.128 -26.031 1.00 22.33 H new ATOM 0 HB ILE A 33 17.651 -16.591 -25.042 1.00 13.21 H new ATOM 0 HG12 ILE A 33 18.398 -19.532 -25.117 1.00 10.32 H new ATOM 0 HG13 ILE A 33 18.434 -18.402 -26.457 1.00 10.32 H new ATOM 0 HG21 ILE A 33 18.830 -17.238 -22.978 1.00 22.30 H new ATOM 0 HG22 ILE A 33 17.103 -16.926 -22.679 1.00 22.30 H new ATOM 0 HG23 ILE A 33 17.703 -18.599 -22.765 1.00 22.30 H new ATOM 0 HD11 ILE A 33 20.685 -18.807 -25.591 1.00 22.31 H new ATOM 0 HD12 ILE A 33 20.214 -17.110 -25.336 1.00 22.31 H new ATOM 0 HD13 ILE A 33 20.178 -18.258 -23.977 1.00 22.31 H new ATOM 510 N SER A 34 16.195 -20.515 -25.239 1.00 25.03 N ATOM 511 CA SER A 34 16.076 -21.909 -24.828 1.00 60.30 C ATOM 512 C SER A 34 17.020 -22.794 -25.634 1.00 10.42 C ATOM 513 O SER A 34 17.176 -22.618 -26.842 1.00 43.22 O ATOM 514 CB SER A 34 14.634 -22.392 -24.998 1.00 31.12 C ATOM 515 OG SER A 34 14.418 -23.606 -24.302 1.00 65.53 O ATOM 0 H SER A 34 16.462 -20.384 -26.215 1.00 25.03 H new ATOM 0 HA SER A 34 16.352 -21.977 -23.776 1.00 60.30 H new ATOM 0 HB2 SER A 34 13.946 -21.631 -24.630 1.00 31.12 H new ATOM 0 HB3 SER A 34 14.417 -22.533 -26.057 1.00 31.12 H new ATOM 0 HG SER A 34 14.056 -23.413 -23.412 1.00 65.53 H new ATOM 521 N GLY A 35 17.649 -23.750 -24.956 1.00 50.42 N ATOM 522 CA GLY A 35 18.570 -24.651 -25.623 1.00 51.10 C ATOM 523 C GLY A 35 18.611 -26.022 -24.978 1.00 32.54 C ATOM 524 O GLY A 35 17.743 -26.363 -24.174 1.00 42.30 O ATOM 0 H GLY A 35 17.537 -23.916 -23.956 1.00 50.42 H new ATOM 0 HA2 GLY A 35 18.280 -24.754 -26.669 1.00 51.10 H new ATOM 0 HA3 GLY A 35 19.570 -24.217 -25.611 1.00 51.10 H new ATOM 528 N SER A 36 19.621 -26.811 -25.332 1.00 50.42 N ATOM 529 CA SER A 36 19.767 -28.155 -24.786 1.00 60.21 C ATOM 530 C SER A 36 20.224 -28.103 -23.331 1.00 34.32 C ATOM 531 O SER A 36 20.090 -29.080 -22.592 1.00 45.21 O ATOM 532 CB SER A 36 20.769 -28.959 -25.618 1.00 64.21 C ATOM 533 OG SER A 36 22.066 -28.393 -25.542 1.00 43.11 O ATOM 0 H SER A 36 20.349 -26.543 -25.994 1.00 50.42 H new ATOM 0 HA SER A 36 18.794 -28.645 -24.826 1.00 60.21 H new ATOM 0 HB2 SER A 36 20.797 -29.989 -25.263 1.00 64.21 H new ATOM 0 HB3 SER A 36 20.442 -28.989 -26.657 1.00 64.21 H new ATOM 0 HG SER A 36 22.688 -28.926 -26.080 1.00 43.11 H new ATOM 539 N PHE A 37 20.761 -26.958 -22.926 1.00 5.12 N ATOM 540 CA PHE A 37 21.237 -26.778 -21.560 1.00 1.32 C ATOM 541 C PHE A 37 20.095 -26.930 -20.560 1.00 52.10 C ATOM 542 O PHE A 37 20.321 -27.139 -19.369 1.00 24.42 O ATOM 543 CB PHE A 37 21.889 -25.403 -21.402 1.00 52.43 C ATOM 544 CG PHE A 37 20.999 -24.266 -21.817 1.00 52.44 C ATOM 545 CD1 PHE A 37 20.069 -23.739 -20.934 1.00 64.24 C ATOM 546 CD2 PHE A 37 21.091 -23.726 -23.089 1.00 12.31 C ATOM 547 CE1 PHE A 37 19.249 -22.693 -21.313 1.00 64.25 C ATOM 548 CE2 PHE A 37 20.273 -22.680 -23.473 1.00 24.25 C ATOM 549 CZ PHE A 37 19.350 -22.164 -22.584 1.00 63.21 C ATOM 0 H PHE A 37 20.878 -26.140 -23.524 1.00 5.12 H new ATOM 0 HA PHE A 37 21.979 -27.550 -21.356 1.00 1.32 H new ATOM 0 HB2 PHE A 37 22.179 -25.265 -20.361 1.00 52.43 H new ATOM 0 HB3 PHE A 37 22.803 -25.373 -21.995 1.00 52.43 H new ATOM 0 HD1 PHE A 37 19.984 -24.150 -19.939 1.00 64.24 H new ATOM 0 HD2 PHE A 37 21.810 -24.127 -23.789 1.00 12.31 H new ATOM 0 HE1 PHE A 37 18.530 -22.290 -20.615 1.00 64.25 H new ATOM 0 HE2 PHE A 37 20.355 -22.266 -24.467 1.00 24.25 H new ATOM 0 HZ PHE A 37 18.709 -21.348 -22.883 1.00 63.21 H new ATOM 559 N ASN A 38 18.866 -26.823 -21.055 1.00 73.11 N ATOM 560 CA ASN A 38 17.686 -26.947 -20.206 1.00 10.42 C ATOM 561 C ASN A 38 16.711 -27.973 -20.776 1.00 21.43 C ATOM 562 O ASN A 38 15.562 -28.056 -20.348 1.00 31.21 O ATOM 563 CB ASN A 38 16.992 -25.592 -20.061 1.00 72.03 C ATOM 564 CG ASN A 38 16.053 -25.298 -21.216 1.00 64.24 C ATOM 565 OD1 ASN A 38 14.889 -25.696 -21.201 1.00 35.42 O ATOM 566 ND2 ASN A 38 16.558 -24.596 -22.225 1.00 44.21 N ATOM 0 H ASN A 38 18.661 -26.651 -22.039 1.00 73.11 H new ATOM 0 HA ASN A 38 18.010 -27.288 -19.223 1.00 10.42 H new ATOM 0 HB2 ASN A 38 16.432 -25.572 -19.126 1.00 72.03 H new ATOM 0 HB3 ASN A 38 17.745 -24.806 -19.999 1.00 72.03 H new ATOM 0 HD21 ASN A 38 15.974 -24.367 -23.029 1.00 44.21 H new ATOM 0 HD22 ASN A 38 17.529 -24.286 -22.195 1.00 44.21 H new ATOM 573 N ASN A 39 17.181 -28.753 -21.745 1.00 32.24 N ATOM 574 CA ASN A 39 16.350 -29.774 -22.374 1.00 20.50 C ATOM 575 C ASN A 39 15.168 -29.141 -23.101 1.00 23.03 C ATOM 576 O ASN A 39 14.163 -29.801 -23.364 1.00 14.24 O ATOM 577 CB ASN A 39 15.847 -30.768 -21.326 1.00 75.11 C ATOM 578 CG ASN A 39 15.612 -32.150 -21.906 1.00 4.44 C ATOM 579 OD1 ASN A 39 15.521 -32.317 -23.123 1.00 63.34 O ATOM 580 ND2 ASN A 39 15.512 -33.148 -21.035 1.00 64.12 N ATOM 0 H ASN A 39 18.131 -28.698 -22.111 1.00 32.24 H new ATOM 0 HA ASN A 39 16.960 -30.305 -23.105 1.00 20.50 H new ATOM 0 HB2 ASN A 39 16.573 -30.836 -20.515 1.00 75.11 H new ATOM 0 HB3 ASN A 39 14.919 -30.396 -20.892 1.00 75.11 H new ATOM 0 HD21 ASN A 39 15.353 -34.100 -21.366 1.00 64.12 H new ATOM 0 HD22 ASN A 39 15.594 -32.963 -20.035 1.00 64.12 H new ATOM 587 N TRP A 40 15.296 -27.859 -23.422 1.00 1.42 N ATOM 588 CA TRP A 40 14.238 -27.136 -24.120 1.00 70.44 C ATOM 589 C TRP A 40 12.901 -27.310 -23.408 1.00 14.41 C ATOM 590 O TRP A 40 11.846 -27.331 -24.044 1.00 75.11 O ATOM 591 CB TRP A 40 14.126 -27.624 -25.566 1.00 13.40 C ATOM 592 CG TRP A 40 15.435 -27.628 -26.294 1.00 42.11 C ATOM 593 CD1 TRP A 40 16.452 -28.528 -26.150 1.00 21.54 C ATOM 594 CD2 TRP A 40 15.871 -26.683 -27.279 1.00 5.34 C ATOM 595 NE1 TRP A 40 17.493 -28.202 -26.986 1.00 63.33 N ATOM 596 CE2 TRP A 40 17.160 -27.075 -27.690 1.00 3.45 C ATOM 597 CE3 TRP A 40 15.297 -25.547 -27.854 1.00 11.54 C ATOM 598 CZ2 TRP A 40 17.882 -26.368 -28.647 1.00 62.33 C ATOM 599 CZ3 TRP A 40 16.014 -24.847 -28.805 1.00 53.04 C ATOM 600 CH2 TRP A 40 17.295 -25.259 -29.194 1.00 62.54 C ATOM 0 H TRP A 40 16.121 -27.298 -23.210 1.00 1.42 H new ATOM 0 HA TRP A 40 14.495 -26.077 -24.120 1.00 70.44 H new ATOM 0 HB2 TRP A 40 13.713 -28.633 -25.571 1.00 13.40 H new ATOM 0 HB3 TRP A 40 13.422 -26.989 -26.103 1.00 13.40 H new ATOM 0 HD1 TRP A 40 16.440 -29.373 -25.477 1.00 21.54 H new ATOM 0 HE1 TRP A 40 18.370 -28.715 -27.069 1.00 63.33 H new ATOM 0 HE3 TRP A 40 14.310 -25.222 -27.560 1.00 11.54 H new ATOM 0 HZ2 TRP A 40 18.870 -26.683 -28.947 1.00 62.33 H new ATOM 0 HZ3 TRP A 40 15.579 -23.967 -29.256 1.00 53.04 H new ATOM 0 HH2 TRP A 40 17.830 -24.690 -29.940 1.00 62.54 H new ATOM 611 N SER A 41 12.950 -27.431 -22.085 1.00 25.55 N ATOM 612 CA SER A 41 11.742 -27.605 -21.287 1.00 24.31 C ATOM 613 C SER A 41 11.431 -26.341 -20.492 1.00 73.12 C ATOM 614 O SER A 41 10.621 -26.361 -19.563 1.00 72.53 O ATOM 615 CB SER A 41 11.900 -28.794 -20.338 1.00 23.43 C ATOM 616 OG SER A 41 11.814 -30.022 -21.039 1.00 55.35 O ATOM 0 H SER A 41 13.814 -27.412 -21.543 1.00 25.55 H new ATOM 0 HA SER A 41 10.911 -27.800 -21.965 1.00 24.31 H new ATOM 0 HB2 SER A 41 12.861 -28.730 -19.827 1.00 23.43 H new ATOM 0 HB3 SER A 41 11.127 -28.755 -19.570 1.00 23.43 H new ATOM 0 HG SER A 41 12.472 -30.031 -21.765 1.00 55.35 H new ATOM 622 N THR A 42 12.079 -25.241 -20.861 1.00 74.23 N ATOM 623 CA THR A 42 11.873 -23.968 -20.183 1.00 14.13 C ATOM 624 C THR A 42 12.453 -22.813 -20.992 1.00 20.24 C ATOM 625 O THR A 42 13.416 -22.987 -21.739 1.00 53.41 O ATOM 626 CB THR A 42 12.512 -23.969 -18.780 1.00 54.43 C ATOM 627 OG1 THR A 42 12.277 -22.713 -18.134 1.00 52.32 O ATOM 628 CG2 THR A 42 14.008 -24.228 -18.868 1.00 23.45 C ATOM 0 H THR A 42 12.752 -25.206 -21.627 1.00 74.23 H new ATOM 0 HA THR A 42 10.796 -23.833 -20.084 1.00 14.13 H new ATOM 0 HB THR A 42 12.055 -24.768 -18.196 1.00 54.43 H new ATOM 0 HG1 THR A 42 12.684 -22.722 -17.243 1.00 52.32 H new ATOM 0 HG21 THR A 42 14.437 -24.224 -17.866 1.00 23.45 H new ATOM 0 HG22 THR A 42 14.183 -25.198 -19.334 1.00 23.45 H new ATOM 0 HG23 THR A 42 14.478 -23.448 -19.467 1.00 23.45 H new ATOM 636 N LYS A 43 11.861 -21.634 -20.838 1.00 1.11 N ATOM 637 CA LYS A 43 12.319 -20.448 -21.553 1.00 64.11 C ATOM 638 C LYS A 43 13.014 -19.477 -20.605 1.00 3.12 C ATOM 639 O LYS A 43 12.409 -18.986 -19.651 1.00 72.24 O ATOM 640 CB LYS A 43 11.141 -19.754 -22.239 1.00 65.14 C ATOM 641 CG LYS A 43 10.820 -20.317 -23.613 1.00 42.20 C ATOM 642 CD LYS A 43 10.294 -19.241 -24.547 1.00 2.13 C ATOM 643 CE LYS A 43 9.221 -19.785 -25.478 1.00 63.12 C ATOM 644 NZ LYS A 43 7.967 -18.986 -25.405 1.00 4.54 N1+ ATOM 0 H LYS A 43 11.062 -21.474 -20.224 1.00 1.11 H new ATOM 0 HA LYS A 43 13.036 -20.765 -22.310 1.00 64.11 H new ATOM 0 HB2 LYS A 43 10.259 -19.841 -21.605 1.00 65.14 H new ATOM 0 HB3 LYS A 43 11.361 -18.691 -22.334 1.00 65.14 H new ATOM 0 HG2 LYS A 43 11.716 -20.766 -24.042 1.00 42.20 H new ATOM 0 HG3 LYS A 43 10.080 -21.111 -23.518 1.00 42.20 H new ATOM 0 HD2 LYS A 43 9.885 -18.418 -23.961 1.00 2.13 H new ATOM 0 HD3 LYS A 43 11.117 -18.836 -25.136 1.00 2.13 H new ATOM 0 HE2 LYS A 43 9.594 -19.783 -26.502 1.00 63.12 H new ATOM 0 HE3 LYS A 43 9.007 -20.822 -25.219 1.00 63.12 H new ATOM 0 HZ1 LYS A 43 7.173 -19.552 -25.768 1.00 4.54 H new ATOM 0 HZ2 LYS A 43 7.781 -18.722 -24.416 1.00 4.54 H new ATOM 0 HZ3 LYS A 43 8.070 -18.125 -25.980 1.00 4.54 H new ATOM 658 N ILE A 44 14.285 -19.201 -20.875 1.00 22.14 N ATOM 659 CA ILE A 44 15.060 -18.284 -20.046 1.00 54.22 C ATOM 660 C ILE A 44 14.822 -16.836 -20.459 1.00 22.01 C ATOM 661 O ILE A 44 14.864 -16.485 -21.638 1.00 31.33 O ATOM 662 CB ILE A 44 16.568 -18.589 -20.130 1.00 4.25 C ATOM 663 CG1 ILE A 44 16.927 -19.751 -19.203 1.00 44.15 C ATOM 664 CG2 ILE A 44 17.378 -17.351 -19.775 1.00 14.54 C ATOM 665 CD1 ILE A 44 16.340 -21.075 -19.637 1.00 62.32 C ATOM 0 H ILE A 44 14.800 -19.598 -21.660 1.00 22.14 H new ATOM 0 HA ILE A 44 14.725 -18.426 -19.019 1.00 54.22 H new ATOM 0 HB ILE A 44 16.810 -18.877 -21.153 1.00 4.25 H new ATOM 0 HG12 ILE A 44 18.012 -19.843 -19.153 1.00 44.15 H new ATOM 0 HG13 ILE A 44 16.580 -19.522 -18.196 1.00 44.15 H new ATOM 0 HG21 ILE A 44 18.441 -17.581 -19.839 1.00 14.54 H new ATOM 0 HG22 ILE A 44 17.139 -16.547 -20.471 1.00 14.54 H new ATOM 0 HG23 ILE A 44 17.135 -17.036 -18.760 1.00 14.54 H new ATOM 0 HD11 ILE A 44 16.636 -21.853 -18.933 1.00 62.32 H new ATOM 0 HD12 ILE A 44 15.253 -21.001 -19.660 1.00 62.32 H new ATOM 0 HD13 ILE A 44 16.707 -21.327 -20.632 1.00 62.32 H new ATOM 677 N PRO A 45 14.566 -15.973 -19.464 1.00 72.14 N ATOM 678 CA PRO A 45 14.319 -14.546 -19.698 1.00 74.30 C ATOM 679 C PRO A 45 15.573 -13.807 -20.150 1.00 3.41 C ATOM 680 O PRO A 45 16.669 -14.059 -19.648 1.00 31.12 O ATOM 681 CB PRO A 45 13.861 -14.037 -18.330 1.00 2.44 C ATOM 682 CG PRO A 45 14.466 -14.983 -17.351 1.00 44.21 C ATOM 683 CD PRO A 45 14.501 -16.322 -18.036 1.00 20.33 C ATOM 0 HA PRO A 45 13.592 -14.383 -20.494 1.00 74.30 H new ATOM 0 HB2 PRO A 45 14.199 -13.016 -18.154 1.00 2.44 H new ATOM 0 HB3 PRO A 45 12.774 -14.030 -18.254 1.00 2.44 H new ATOM 0 HG2 PRO A 45 15.469 -14.663 -17.068 1.00 44.21 H new ATOM 0 HG3 PRO A 45 13.876 -15.028 -16.436 1.00 44.21 H new ATOM 0 HD2 PRO A 45 15.365 -16.909 -17.726 1.00 20.33 H new ATOM 0 HD3 PRO A 45 13.615 -16.914 -17.807 1.00 20.33 H new ATOM 691 N LEU A 46 15.405 -12.893 -21.100 1.00 64.14 N ATOM 692 CA LEU A 46 16.525 -12.115 -21.619 1.00 65.52 C ATOM 693 C LEU A 46 16.588 -10.743 -20.957 1.00 32.13 C ATOM 694 O LEU A 46 15.759 -9.874 -21.226 1.00 65.14 O ATOM 695 CB LEU A 46 16.401 -11.956 -23.136 1.00 61.33 C ATOM 696 CG LEU A 46 17.436 -12.705 -23.976 1.00 32.01 C ATOM 697 CD1 LEU A 46 16.974 -14.129 -24.247 1.00 34.30 C ATOM 698 CD2 LEU A 46 17.696 -11.969 -25.282 1.00 72.32 C ATOM 0 H LEU A 46 14.505 -12.673 -21.526 1.00 64.14 H new ATOM 0 HA LEU A 46 17.446 -12.652 -21.389 1.00 65.52 H new ATOM 0 HB2 LEU A 46 15.408 -12.290 -23.436 1.00 61.33 H new ATOM 0 HB3 LEU A 46 16.466 -10.895 -23.377 1.00 61.33 H new ATOM 0 HG LEU A 46 18.369 -12.748 -23.415 1.00 32.01 H new ATOM 0 HD11 LEU A 46 17.723 -14.647 -24.846 1.00 34.30 H new ATOM 0 HD12 LEU A 46 16.839 -14.654 -23.301 1.00 34.30 H new ATOM 0 HD13 LEU A 46 16.028 -14.108 -24.788 1.00 34.30 H new ATOM 0 HD21 LEU A 46 18.435 -12.516 -25.867 1.00 72.32 H new ATOM 0 HD22 LEU A 46 16.768 -11.894 -25.848 1.00 72.32 H new ATOM 0 HD23 LEU A 46 18.072 -10.969 -25.067 1.00 72.32 H new ATOM 710 N ILE A 47 17.579 -10.556 -20.090 1.00 14.12 N ATOM 711 CA ILE A 47 17.753 -9.289 -19.392 1.00 74.30 C ATOM 712 C ILE A 47 17.760 -8.118 -20.370 1.00 14.44 C ATOM 713 O ILE A 47 18.732 -7.909 -21.096 1.00 31.41 O ATOM 714 CB ILE A 47 19.059 -9.270 -18.576 1.00 0.44 C ATOM 715 CG1 ILE A 47 19.082 -10.434 -17.583 1.00 30.24 C ATOM 716 CG2 ILE A 47 19.210 -7.942 -17.848 1.00 33.01 C ATOM 717 CD1 ILE A 47 17.942 -10.404 -16.589 1.00 44.14 C ATOM 0 H ILE A 47 18.273 -11.266 -19.855 1.00 14.12 H new ATOM 0 HA ILE A 47 16.908 -9.186 -18.712 1.00 74.30 H new ATOM 0 HB ILE A 47 19.900 -9.384 -19.260 1.00 0.44 H new ATOM 0 HG12 ILE A 47 19.047 -11.373 -18.136 1.00 30.24 H new ATOM 0 HG13 ILE A 47 20.027 -10.419 -17.040 1.00 30.24 H new ATOM 0 HG21 ILE A 47 20.138 -7.944 -17.276 1.00 33.01 H new ATOM 0 HG22 ILE A 47 19.233 -7.130 -18.574 1.00 33.01 H new ATOM 0 HG23 ILE A 47 18.367 -7.800 -17.172 1.00 33.01 H new ATOM 0 HD11 ILE A 47 18.023 -11.258 -15.917 1.00 44.14 H new ATOM 0 HD12 ILE A 47 17.988 -9.482 -16.010 1.00 44.14 H new ATOM 0 HD13 ILE A 47 16.993 -10.450 -17.123 1.00 44.14 H new ATOM 729 N LYS A 48 16.672 -7.357 -20.382 1.00 15.21 N ATOM 730 CA LYS A 48 16.552 -6.205 -21.267 1.00 3.13 C ATOM 731 C LYS A 48 17.540 -5.111 -20.873 1.00 43.44 C ATOM 732 O LYS A 48 17.492 -4.593 -19.756 1.00 42.12 O ATOM 733 CB LYS A 48 15.125 -5.655 -21.233 1.00 15.03 C ATOM 734 CG LYS A 48 14.683 -5.028 -22.544 1.00 21.42 C ATOM 735 CD LYS A 48 13.169 -4.958 -22.647 1.00 24.00 C ATOM 736 CE LYS A 48 12.729 -4.127 -23.843 1.00 64.10 C ATOM 737 NZ LYS A 48 12.567 -2.689 -23.490 1.00 1.32 N1+ ATOM 0 H LYS A 48 15.859 -7.518 -19.788 1.00 15.21 H new ATOM 0 HA LYS A 48 16.784 -6.532 -22.281 1.00 3.13 H new ATOM 0 HB2 LYS A 48 14.439 -6.463 -20.977 1.00 15.03 H new ATOM 0 HB3 LYS A 48 15.050 -4.910 -20.441 1.00 15.03 H new ATOM 0 HG2 LYS A 48 15.101 -4.025 -22.627 1.00 21.42 H new ATOM 0 HG3 LYS A 48 15.079 -5.608 -23.377 1.00 21.42 H new ATOM 0 HD2 LYS A 48 12.762 -5.966 -22.733 1.00 24.00 H new ATOM 0 HD3 LYS A 48 12.761 -4.527 -21.733 1.00 24.00 H new ATOM 0 HE2 LYS A 48 13.463 -4.224 -24.643 1.00 64.10 H new ATOM 0 HE3 LYS A 48 11.786 -4.515 -24.228 1.00 64.10 H new ATOM 0 HZ1 LYS A 48 12.267 -2.157 -24.331 1.00 1.32 H new ATOM 0 HZ2 LYS A 48 11.848 -2.593 -22.745 1.00 1.32 H new ATOM 0 HZ3 LYS A 48 13.473 -2.312 -23.147 1.00 1.32 H new ATOM 751 N SER A 49 18.430 -4.762 -21.795 1.00 43.44 N ATOM 752 CA SER A 49 19.430 -3.731 -21.543 1.00 72.14 C ATOM 753 C SER A 49 19.141 -2.481 -22.368 1.00 60.13 C ATOM 754 O SER A 49 18.439 -2.539 -23.378 1.00 5.42 O ATOM 755 CB SER A 49 20.830 -4.258 -21.865 1.00 41.12 C ATOM 756 OG SER A 49 21.811 -3.619 -21.067 1.00 21.32 O ATOM 0 H SER A 49 18.479 -5.178 -22.725 1.00 43.44 H new ATOM 0 HA SER A 49 19.385 -3.466 -20.487 1.00 72.14 H new ATOM 0 HB2 SER A 49 20.864 -5.334 -21.697 1.00 41.12 H new ATOM 0 HB3 SER A 49 21.051 -4.093 -22.920 1.00 41.12 H new ATOM 0 HG SER A 49 22.697 -3.974 -21.290 1.00 21.32 H new ATOM 762 N HIS A 50 19.688 -1.352 -21.930 1.00 41.43 N ATOM 763 CA HIS A 50 19.490 -0.086 -22.628 1.00 30.33 C ATOM 764 C HIS A 50 19.995 -0.174 -24.065 1.00 5.15 C ATOM 765 O HIS A 50 19.524 0.548 -24.943 1.00 32.14 O ATOM 766 CB HIS A 50 20.209 1.044 -21.891 1.00 41.03 C ATOM 767 CG HIS A 50 19.673 2.406 -22.214 1.00 40.43 C ATOM 768 ND1 HIS A 50 20.450 3.412 -22.749 1.00 11.43 N ATOM 769 CD2 HIS A 50 18.430 2.923 -22.077 1.00 70.45 C ATOM 770 CE1 HIS A 50 19.707 4.491 -22.925 1.00 0.03 C ATOM 771 NE2 HIS A 50 18.478 4.220 -22.525 1.00 34.54 N ATOM 0 H HIS A 50 20.271 -1.287 -21.096 1.00 41.43 H new ATOM 0 HA HIS A 50 18.421 0.126 -22.649 1.00 30.33 H new ATOM 0 HB2 HIS A 50 20.128 0.876 -20.817 1.00 41.03 H new ATOM 0 HB3 HIS A 50 21.270 1.012 -22.139 1.00 41.03 H new ATOM 0 HD2 HIS A 50 17.562 2.411 -21.688 1.00 70.45 H new ATOM 0 HE1 HIS A 50 20.047 5.434 -23.327 1.00 0.03 H new ATOM 0 HE2 HIS A 50 17.692 4.869 -22.546 1.00 34.54 H new ATOM 779 N ASN A 51 20.956 -1.063 -24.297 1.00 15.24 N ATOM 780 CA ASN A 51 21.525 -1.243 -25.628 1.00 64.25 C ATOM 781 C ASN A 51 20.716 -2.257 -26.432 1.00 63.54 C ATOM 782 O ASN A 51 20.336 -1.996 -27.574 1.00 35.54 O ATOM 783 CB ASN A 51 22.980 -1.702 -25.525 1.00 63.32 C ATOM 784 CG ASN A 51 23.950 -0.538 -25.442 1.00 44.03 C ATOM 785 OD1 ASN A 51 23.963 0.336 -26.309 1.00 43.11 O ATOM 786 ND2 ASN A 51 24.767 -0.523 -24.396 1.00 71.10 N ATOM 0 H ASN A 51 21.357 -1.669 -23.581 1.00 15.24 H new ATOM 0 HA ASN A 51 21.489 -0.284 -26.145 1.00 64.25 H new ATOM 0 HB2 ASN A 51 23.098 -2.333 -24.644 1.00 63.32 H new ATOM 0 HB3 ASN A 51 23.227 -2.316 -26.391 1.00 63.32 H new ATOM 0 HD21 ASN A 51 25.441 0.234 -24.286 1.00 71.10 H new ATOM 0 HD22 ASN A 51 24.721 -1.269 -23.702 1.00 71.10 H new ATOM 793 N ASP A 52 20.456 -3.410 -25.828 1.00 2.33 N ATOM 794 CA ASP A 52 19.691 -4.463 -26.487 1.00 51.51 C ATOM 795 C ASP A 52 19.389 -5.603 -25.519 1.00 40.41 C ATOM 796 O ASP A 52 19.660 -5.502 -24.322 1.00 50.31 O ATOM 797 CB ASP A 52 20.456 -4.996 -27.700 1.00 20.42 C ATOM 798 CG ASP A 52 21.791 -5.606 -27.320 1.00 4.32 C ATOM 799 OD1 ASP A 52 21.794 -6.699 -26.714 1.00 62.31 O ATOM 800 OD2 ASP A 52 22.833 -4.991 -27.629 1.00 62.02 O1- ATOM 0 H ASP A 52 20.763 -3.640 -24.883 1.00 2.33 H new ATOM 0 HA ASP A 52 18.746 -4.036 -26.822 1.00 51.51 H new ATOM 0 HB2 ASP A 52 19.849 -5.745 -28.208 1.00 20.42 H new ATOM 0 HB3 ASP A 52 20.619 -4.184 -28.408 1.00 20.42 H new ATOM 805 N PHE A 53 18.825 -6.685 -26.045 1.00 23.22 N ATOM 806 CA PHE A 53 18.485 -7.843 -25.227 1.00 74.32 C ATOM 807 C PHE A 53 19.680 -8.780 -25.086 1.00 74.52 C ATOM 808 O PHE A 53 20.460 -8.956 -26.023 1.00 63.11 O ATOM 809 CB PHE A 53 17.302 -8.597 -25.840 1.00 20.02 C ATOM 810 CG PHE A 53 16.071 -7.752 -25.998 1.00 51.11 C ATOM 811 CD1 PHE A 53 15.938 -6.892 -27.076 1.00 41.23 C ATOM 812 CD2 PHE A 53 15.044 -7.817 -25.068 1.00 71.15 C ATOM 813 CE1 PHE A 53 14.806 -6.112 -27.223 1.00 25.13 C ATOM 814 CE2 PHE A 53 13.910 -7.041 -25.211 1.00 34.33 C ATOM 815 CZ PHE A 53 13.790 -6.188 -26.291 1.00 23.43 C ATOM 0 H PHE A 53 18.594 -6.784 -27.034 1.00 23.22 H new ATOM 0 HA PHE A 53 18.207 -7.486 -24.235 1.00 74.32 H new ATOM 0 HB2 PHE A 53 17.595 -8.985 -26.816 1.00 20.02 H new ATOM 0 HB3 PHE A 53 17.065 -9.457 -25.213 1.00 20.02 H new ATOM 0 HD1 PHE A 53 16.728 -6.830 -27.810 1.00 41.23 H new ATOM 0 HD2 PHE A 53 15.132 -8.482 -24.222 1.00 71.15 H new ATOM 0 HE1 PHE A 53 14.716 -5.443 -28.066 1.00 25.13 H new ATOM 0 HE2 PHE A 53 13.118 -7.101 -24.479 1.00 34.33 H new ATOM 0 HZ PHE A 53 12.904 -5.582 -26.406 1.00 23.43 H new ATOM 825 N VAL A 54 19.819 -9.380 -23.907 1.00 60.01 N ATOM 826 CA VAL A 54 20.920 -10.299 -23.642 1.00 21.43 C ATOM 827 C VAL A 54 20.506 -11.379 -22.648 1.00 43.31 C ATOM 828 O VAL A 54 19.636 -11.160 -21.805 1.00 73.14 O ATOM 829 CB VAL A 54 22.151 -9.556 -23.093 1.00 12.13 C ATOM 830 CG1 VAL A 54 22.749 -8.651 -24.159 1.00 42.10 C ATOM 831 CG2 VAL A 54 21.783 -8.759 -21.850 1.00 4.03 C ATOM 0 H VAL A 54 19.183 -9.246 -23.121 1.00 60.01 H new ATOM 0 HA VAL A 54 21.181 -10.764 -24.593 1.00 21.43 H new ATOM 0 HB VAL A 54 22.903 -10.294 -22.814 1.00 12.13 H new ATOM 0 HG11 VAL A 54 23.618 -8.134 -23.752 1.00 42.10 H new ATOM 0 HG12 VAL A 54 23.052 -9.251 -25.017 1.00 42.10 H new ATOM 0 HG13 VAL A 54 22.006 -7.918 -24.473 1.00 42.10 H new ATOM 0 HG21 VAL A 54 22.666 -8.240 -21.476 1.00 4.03 H new ATOM 0 HG22 VAL A 54 21.012 -8.030 -22.100 1.00 4.03 H new ATOM 0 HG23 VAL A 54 21.407 -9.435 -21.082 1.00 4.03 H new ATOM 841 N ALA A 55 21.135 -12.545 -22.754 1.00 4.51 N ATOM 842 CA ALA A 55 20.834 -13.659 -21.862 1.00 54.01 C ATOM 843 C ALA A 55 22.076 -14.098 -21.094 1.00 32.03 C ATOM 844 O ALA A 55 23.190 -14.046 -21.615 1.00 42.01 O ATOM 845 CB ALA A 55 20.259 -14.825 -22.652 1.00 40.42 C ATOM 0 H ALA A 55 21.856 -12.743 -23.448 1.00 4.51 H new ATOM 0 HA ALA A 55 20.092 -13.323 -21.138 1.00 54.01 H new ATOM 0 HB1 ALA A 55 20.039 -15.650 -21.975 1.00 40.42 H new ATOM 0 HB2 ALA A 55 19.342 -14.510 -23.150 1.00 40.42 H new ATOM 0 HB3 ALA A 55 20.984 -15.152 -23.398 1.00 40.42 H new ATOM 851 N ILE A 56 21.876 -14.528 -19.853 1.00 34.40 N ATOM 852 CA ILE A 56 22.980 -14.976 -19.014 1.00 21.40 C ATOM 853 C ILE A 56 22.603 -16.230 -18.233 1.00 72.24 C ATOM 854 O ILE A 56 21.639 -16.232 -17.466 1.00 72.43 O ATOM 855 CB ILE A 56 23.414 -13.879 -18.022 1.00 50.33 C ATOM 856 CG1 ILE A 56 23.716 -12.578 -18.767 1.00 71.52 C ATOM 857 CG2 ILE A 56 24.629 -14.335 -17.228 1.00 41.55 C ATOM 858 CD1 ILE A 56 24.896 -12.680 -19.709 1.00 74.44 C ATOM 0 H ILE A 56 20.960 -14.576 -19.407 1.00 34.40 H new ATOM 0 HA ILE A 56 23.812 -15.202 -19.681 1.00 21.40 H new ATOM 0 HB ILE A 56 22.596 -13.695 -17.325 1.00 50.33 H new ATOM 0 HG12 ILE A 56 22.834 -12.280 -19.334 1.00 71.52 H new ATOM 0 HG13 ILE A 56 23.909 -11.789 -18.040 1.00 71.52 H new ATOM 0 HG21 ILE A 56 24.924 -13.550 -16.532 1.00 41.55 H new ATOM 0 HG22 ILE A 56 24.382 -15.239 -16.672 1.00 41.55 H new ATOM 0 HG23 ILE A 56 25.453 -14.543 -17.911 1.00 41.55 H new ATOM 0 HD11 ILE A 56 25.052 -11.721 -20.203 1.00 74.44 H new ATOM 0 HD12 ILE A 56 25.790 -12.947 -19.145 1.00 74.44 H new ATOM 0 HD13 ILE A 56 24.698 -13.446 -20.459 1.00 74.44 H new ATOM 870 N LEU A 57 23.371 -17.296 -18.432 1.00 23.15 N ATOM 871 CA LEU A 57 23.119 -18.559 -17.745 1.00 22.42 C ATOM 872 C LEU A 57 24.404 -19.368 -17.607 1.00 52.54 C ATOM 873 O LEU A 57 25.186 -19.476 -18.552 1.00 60.35 O ATOM 874 CB LEU A 57 22.068 -19.373 -18.501 1.00 74.01 C ATOM 875 CG LEU A 57 21.994 -19.136 -20.010 1.00 65.41 C ATOM 876 CD1 LEU A 57 21.499 -20.386 -20.722 1.00 60.15 C ATOM 877 CD2 LEU A 57 21.093 -17.951 -20.321 1.00 20.50 C ATOM 0 H LEU A 57 24.173 -17.311 -19.063 1.00 23.15 H new ATOM 0 HA LEU A 57 22.744 -18.333 -16.747 1.00 22.42 H new ATOM 0 HB2 LEU A 57 22.264 -20.431 -18.329 1.00 74.01 H new ATOM 0 HB3 LEU A 57 21.090 -19.156 -18.071 1.00 74.01 H new ATOM 0 HG LEU A 57 22.997 -18.908 -20.372 1.00 65.41 H new ATOM 0 HD11 LEU A 57 21.453 -20.199 -21.795 1.00 60.15 H new ATOM 0 HD12 LEU A 57 22.184 -21.211 -20.527 1.00 60.15 H new ATOM 0 HD13 LEU A 57 20.506 -20.644 -20.355 1.00 60.15 H new ATOM 0 HD21 LEU A 57 21.053 -17.798 -21.399 1.00 20.50 H new ATOM 0 HD22 LEU A 57 20.089 -18.149 -19.945 1.00 20.50 H new ATOM 0 HD23 LEU A 57 21.490 -17.056 -19.842 1.00 20.50 H new ATOM 889 N ASP A 58 24.614 -19.940 -16.426 1.00 34.22 N ATOM 890 CA ASP A 58 25.802 -20.744 -16.166 1.00 0.11 C ATOM 891 C ASP A 58 25.708 -22.096 -16.865 1.00 63.43 C ATOM 892 O ASP A 58 24.986 -22.989 -16.420 1.00 41.24 O ATOM 893 CB ASP A 58 25.987 -20.946 -14.661 1.00 24.31 C ATOM 894 CG ASP A 58 24.721 -21.431 -13.982 1.00 42.33 C ATOM 895 OD1 ASP A 58 23.751 -20.649 -13.907 1.00 2.41 O ATOM 896 OD2 ASP A 58 24.702 -22.594 -13.526 1.00 22.34 O1- ATOM 0 H ASP A 58 23.976 -19.861 -15.634 1.00 34.22 H new ATOM 0 HA ASP A 58 26.666 -20.210 -16.563 1.00 0.11 H new ATOM 0 HB2 ASP A 58 26.787 -21.667 -14.490 1.00 24.31 H new ATOM 0 HB3 ASP A 58 26.302 -20.006 -14.207 1.00 24.31 H new ATOM 901 N LEU A 59 26.441 -22.240 -17.964 1.00 33.22 N ATOM 902 CA LEU A 59 26.439 -23.483 -18.727 1.00 60.20 C ATOM 903 C LEU A 59 27.791 -24.182 -18.631 1.00 1.03 C ATOM 904 O LEU A 59 28.833 -23.552 -18.449 1.00 70.11 O ATOM 905 CB LEU A 59 26.100 -23.205 -20.192 1.00 32.04 C ATOM 906 CG LEU A 59 24.931 -22.249 -20.441 1.00 60.02 C ATOM 907 CD1 LEU A 59 25.001 -21.676 -21.847 1.00 43.15 C ATOM 908 CD2 LEU A 59 23.604 -22.961 -20.218 1.00 1.32 C ATOM 0 H LEU A 59 27.044 -21.511 -18.346 1.00 33.22 H new ATOM 0 HA LEU A 59 25.679 -24.140 -18.303 1.00 60.20 H new ATOM 0 HB2 LEU A 59 26.986 -22.798 -20.678 1.00 32.04 H new ATOM 0 HB3 LEU A 59 25.877 -24.154 -20.679 1.00 32.04 H new ATOM 0 HG LEU A 59 25.002 -21.425 -19.731 1.00 60.02 H new ATOM 0 HD11 LEU A 59 24.162 -20.999 -22.006 1.00 43.15 H new ATOM 0 HD12 LEU A 59 25.936 -21.130 -21.971 1.00 43.15 H new ATOM 0 HD13 LEU A 59 24.955 -22.487 -22.573 1.00 43.15 H new ATOM 0 HD21 LEU A 59 22.784 -22.267 -20.399 1.00 1.32 H new ATOM 0 HD22 LEU A 59 23.524 -23.804 -20.904 1.00 1.32 H new ATOM 0 HD23 LEU A 59 23.553 -23.322 -19.191 1.00 1.32 H new ATOM 920 N PRO A 60 27.776 -25.518 -18.757 1.00 53.42 N ATOM 921 CA PRO A 60 28.993 -26.332 -18.691 1.00 72.32 C ATOM 922 C PRO A 60 29.895 -26.129 -19.903 1.00 43.23 C ATOM 923 O PRO A 60 29.423 -25.784 -20.987 1.00 43.11 O ATOM 924 CB PRO A 60 28.459 -27.767 -18.656 1.00 45.22 C ATOM 925 CG PRO A 60 27.128 -27.691 -19.318 1.00 34.34 C ATOM 926 CD PRO A 60 26.572 -26.335 -18.976 1.00 31.23 C ATOM 0 HA PRO A 60 29.611 -26.071 -17.832 1.00 72.32 H new ATOM 0 HB2 PRO A 60 29.125 -28.450 -19.183 1.00 45.22 H new ATOM 0 HB3 PRO A 60 28.372 -28.132 -17.633 1.00 45.22 H new ATOM 0 HG2 PRO A 60 27.221 -27.814 -20.397 1.00 34.34 H new ATOM 0 HG3 PRO A 60 26.470 -28.484 -18.963 1.00 34.34 H new ATOM 0 HD2 PRO A 60 25.958 -25.937 -19.784 1.00 31.23 H new ATOM 0 HD3 PRO A 60 25.944 -26.371 -18.086 1.00 31.23 H new ATOM 934 N GLU A 61 31.192 -26.344 -19.714 1.00 34.34 N ATOM 935 CA GLU A 61 32.159 -26.184 -20.795 1.00 51.40 C ATOM 936 C GLU A 61 31.891 -27.181 -21.917 1.00 71.00 C ATOM 937 O GLU A 61 31.900 -28.392 -21.702 1.00 52.22 O ATOM 938 CB GLU A 61 33.583 -26.365 -20.266 1.00 14.52 C ATOM 939 CG GLU A 61 34.631 -26.462 -21.362 1.00 12.24 C ATOM 940 CD GLU A 61 34.834 -27.883 -21.850 1.00 4.13 C ATOM 941 OE1 GLU A 61 34.680 -28.818 -21.036 1.00 62.21 O ATOM 942 OE2 GLU A 61 35.149 -28.061 -23.046 1.00 14.15 O1- ATOM 0 H GLU A 61 31.599 -26.629 -18.823 1.00 34.34 H new ATOM 0 HA GLU A 61 32.053 -25.176 -21.196 1.00 51.40 H new ATOM 0 HB2 GLU A 61 33.828 -25.527 -19.613 1.00 14.52 H new ATOM 0 HB3 GLU A 61 33.623 -27.267 -19.656 1.00 14.52 H new ATOM 0 HG2 GLU A 61 34.334 -25.833 -22.201 1.00 12.24 H new ATOM 0 HG3 GLU A 61 35.578 -26.071 -20.990 1.00 12.24 H new ATOM 949 N GLY A 62 31.651 -26.661 -23.118 1.00 75.14 N ATOM 950 CA GLY A 62 31.382 -27.520 -24.258 1.00 3.44 C ATOM 951 C GLY A 62 30.656 -26.793 -25.372 1.00 3.40 C ATOM 952 O GLY A 62 30.953 -25.635 -25.663 1.00 30.13 O ATOM 0 H GLY A 62 31.638 -25.662 -23.322 1.00 75.14 H new ATOM 0 HA2 GLY A 62 32.323 -27.917 -24.640 1.00 3.44 H new ATOM 0 HA3 GLY A 62 30.784 -28.372 -23.934 1.00 3.44 H new ATOM 956 N GLU A 63 29.703 -27.475 -25.998 1.00 44.04 N ATOM 957 CA GLU A 63 28.934 -26.888 -27.089 1.00 31.31 C ATOM 958 C GLU A 63 27.445 -27.183 -26.926 1.00 34.40 C ATOM 959 O GLU A 63 27.083 -28.330 -26.668 1.00 55.14 O ATOM 960 CB GLU A 63 29.427 -27.421 -28.435 1.00 71.45 C ATOM 961 CG GLU A 63 28.568 -26.989 -29.612 1.00 41.01 C ATOM 962 CD GLU A 63 29.008 -27.623 -30.917 1.00 64.35 C ATOM 963 OE1 GLU A 63 29.003 -28.868 -31.005 1.00 63.41 O1- ATOM 964 OE2 GLU A 63 29.356 -26.871 -31.853 1.00 13.32 O ATOM 0 H GLU A 63 29.445 -28.435 -25.769 1.00 44.04 H new ATOM 0 HA GLU A 63 29.078 -25.808 -27.060 1.00 31.31 H new ATOM 0 HB2 GLU A 63 30.450 -27.081 -28.598 1.00 71.45 H new ATOM 0 HB3 GLU A 63 29.455 -28.510 -28.397 1.00 71.45 H new ATOM 0 HG2 GLU A 63 27.529 -27.254 -29.416 1.00 41.01 H new ATOM 0 HG3 GLU A 63 28.608 -25.904 -29.708 1.00 41.01 H new ATOM 971 N HIS A 64 26.626 -26.154 -27.079 1.00 11.42 N ATOM 972 CA HIS A 64 25.188 -26.316 -26.946 1.00 43.11 C ATOM 973 C HIS A 64 24.479 -25.523 -28.046 1.00 20.11 C ATOM 974 O HIS A 64 25.065 -24.679 -28.722 1.00 22.41 O ATOM 975 CB HIS A 64 24.724 -25.926 -25.541 1.00 0.52 C ATOM 976 CG HIS A 64 25.849 -25.755 -24.548 1.00 30.40 C ATOM 977 ND1 HIS A 64 26.738 -24.735 -24.376 1.00 23.24 N flip ATOM 978 CD2 HIS A 64 26.154 -26.706 -23.590 1.00 51.01 C flip ATOM 979 CE1 HIS A 64 27.542 -25.046 -23.366 1.00 5.41 C flip ATOM 980 NE2 HIS A 64 27.182 -26.268 -22.878 1.00 33.03 N flip ATOM 0 H HIS A 64 26.930 -25.204 -27.294 1.00 11.42 H new ATOM 0 HA HIS A 64 24.923 -27.366 -27.074 1.00 43.11 H new ATOM 0 HB2 HIS A 64 24.161 -24.994 -25.601 1.00 0.52 H new ATOM 0 HB3 HIS A 64 24.039 -26.689 -25.171 1.00 0.52 H new ATOM 0 HD2 HIS A 64 25.641 -27.646 -23.447 1.00 51.01 H new ATOM 0 HE1 HIS A 64 28.348 -24.432 -22.992 1.00 5.41 H new ATOM 0 HE2 HIS A 64 27.626 -26.758 -22.102 1.00 33.03 H new ATOM 988 N GLN A 65 23.192 -25.816 -28.208 1.00 1.42 N ATOM 989 CA GLN A 65 22.379 -25.148 -29.217 1.00 75.43 C ATOM 990 C GLN A 65 21.160 -24.484 -28.581 1.00 40.13 C ATOM 991 O GLN A 65 20.388 -25.131 -27.874 1.00 52.02 O ATOM 992 CB GLN A 65 21.931 -26.146 -30.286 1.00 73.02 C ATOM 993 CG GLN A 65 22.879 -26.236 -31.470 1.00 71.31 C ATOM 994 CD GLN A 65 23.238 -27.665 -31.824 1.00 43.32 C ATOM 995 OE1 GLN A 65 22.566 -28.303 -32.635 1.00 5.51 O ATOM 996 NE2 GLN A 65 24.301 -28.178 -31.215 1.00 53.03 N ATOM 0 H GLN A 65 22.691 -26.511 -27.654 1.00 1.42 H new ATOM 0 HA GLN A 65 22.989 -24.376 -29.685 1.00 75.43 H new ATOM 0 HB2 GLN A 65 21.835 -27.133 -29.833 1.00 73.02 H new ATOM 0 HB3 GLN A 65 20.942 -25.862 -30.644 1.00 73.02 H new ATOM 0 HG2 GLN A 65 22.421 -25.756 -32.335 1.00 71.31 H new ATOM 0 HG3 GLN A 65 23.790 -25.682 -31.244 1.00 71.31 H new ATOM 0 HE21 GLN A 65 24.829 -27.614 -30.550 1.00 53.03 H new ATOM 0 HE22 GLN A 65 24.589 -29.136 -31.413 1.00 53.03 H new ATOM 1005 N TYR A 66 20.997 -23.191 -28.837 1.00 4.15 N ATOM 1006 CA TYR A 66 19.874 -22.440 -28.288 1.00 72.34 C ATOM 1007 C TYR A 66 19.027 -21.833 -29.403 1.00 74.34 C ATOM 1008 O TYR A 66 19.340 -21.976 -30.585 1.00 1.32 O ATOM 1009 CB TYR A 66 20.379 -21.336 -27.358 1.00 10.24 C ATOM 1010 CG TYR A 66 21.192 -20.274 -28.064 1.00 32.44 C ATOM 1011 CD1 TYR A 66 22.518 -20.502 -28.411 1.00 2.13 C ATOM 1012 CD2 TYR A 66 20.633 -19.042 -28.384 1.00 40.20 C ATOM 1013 CE1 TYR A 66 23.264 -19.534 -29.055 1.00 71.43 C ATOM 1014 CE2 TYR A 66 21.372 -18.070 -29.028 1.00 2.40 C ATOM 1015 CZ TYR A 66 22.686 -18.320 -29.362 1.00 22.23 C ATOM 1016 OH TYR A 66 23.426 -17.353 -30.004 1.00 12.33 O ATOM 0 H TYR A 66 21.628 -22.641 -29.421 1.00 4.15 H new ATOM 0 HA TYR A 66 19.252 -23.130 -27.718 1.00 72.34 H new ATOM 0 HB2 TYR A 66 19.526 -20.864 -26.871 1.00 10.24 H new ATOM 0 HB3 TYR A 66 20.987 -21.784 -26.572 1.00 10.24 H new ATOM 0 HD1 TYR A 66 22.973 -21.452 -28.173 1.00 2.13 H new ATOM 0 HD2 TYR A 66 19.604 -18.842 -28.125 1.00 40.20 H new ATOM 0 HE1 TYR A 66 24.294 -19.727 -29.317 1.00 71.43 H new ATOM 0 HE2 TYR A 66 20.923 -17.118 -29.269 1.00 2.40 H new ATOM 0 HH TYR A 66 22.871 -16.558 -30.148 1.00 12.33 H new ATOM 1026 N LYS A 67 17.952 -21.156 -29.017 1.00 53.20 N ATOM 1027 CA LYS A 67 17.058 -20.524 -29.981 1.00 62.12 C ATOM 1028 C LYS A 67 16.372 -19.306 -29.370 1.00 21.43 C ATOM 1029 O LYS A 67 16.022 -19.306 -28.190 1.00 63.05 O ATOM 1030 CB LYS A 67 16.006 -21.525 -30.465 1.00 52.15 C ATOM 1031 CG LYS A 67 15.139 -20.999 -31.595 1.00 4.31 C ATOM 1032 CD LYS A 67 15.852 -21.090 -32.934 1.00 75.43 C ATOM 1033 CE LYS A 67 15.008 -20.505 -34.056 1.00 71.15 C ATOM 1034 NZ LYS A 67 13.912 -21.426 -34.464 1.00 33.33 N1+ ATOM 0 H LYS A 67 17.678 -21.030 -28.043 1.00 53.20 H new ATOM 0 HA LYS A 67 17.656 -20.195 -30.831 1.00 62.12 H new ATOM 0 HB2 LYS A 67 16.508 -22.434 -30.796 1.00 52.15 H new ATOM 0 HB3 LYS A 67 15.367 -21.801 -29.626 1.00 52.15 H new ATOM 0 HG2 LYS A 67 14.210 -21.568 -31.637 1.00 4.31 H new ATOM 0 HG3 LYS A 67 14.869 -19.962 -31.395 1.00 4.31 H new ATOM 0 HD2 LYS A 67 16.803 -20.560 -32.878 1.00 75.43 H new ATOM 0 HD3 LYS A 67 16.081 -22.132 -33.155 1.00 75.43 H new ATOM 0 HE2 LYS A 67 14.582 -19.555 -33.733 1.00 71.15 H new ATOM 0 HE3 LYS A 67 15.643 -20.293 -34.916 1.00 71.15 H new ATOM 0 HZ1 LYS A 67 13.208 -20.902 -35.022 1.00 33.33 H new ATOM 0 HZ2 LYS A 67 14.304 -22.199 -35.039 1.00 33.33 H new ATOM 0 HZ3 LYS A 67 13.457 -21.821 -33.616 1.00 33.33 H new ATOM 1048 N PHE A 68 16.181 -18.272 -30.182 1.00 0.13 N ATOM 1049 CA PHE A 68 15.536 -17.048 -29.722 1.00 34.41 C ATOM 1050 C PHE A 68 14.028 -17.108 -29.949 1.00 74.51 C ATOM 1051 O PHE A 68 13.557 -17.737 -30.896 1.00 43.04 O ATOM 1052 CB PHE A 68 16.123 -15.833 -30.444 1.00 21.54 C ATOM 1053 CG PHE A 68 17.483 -15.438 -29.944 1.00 34.32 C ATOM 1054 CD1 PHE A 68 17.738 -15.354 -28.584 1.00 45.22 C ATOM 1055 CD2 PHE A 68 18.505 -15.148 -30.832 1.00 24.44 C ATOM 1056 CE1 PHE A 68 18.988 -14.991 -28.120 1.00 21.32 C ATOM 1057 CE2 PHE A 68 19.757 -14.784 -30.374 1.00 64.40 C ATOM 1058 CZ PHE A 68 19.999 -14.704 -29.016 1.00 60.24 C ATOM 0 H PHE A 68 16.464 -18.257 -31.162 1.00 0.13 H new ATOM 0 HA PHE A 68 15.721 -16.951 -28.652 1.00 34.41 H new ATOM 0 HB2 PHE A 68 16.185 -16.049 -31.510 1.00 21.54 H new ATOM 0 HB3 PHE A 68 15.443 -14.989 -30.329 1.00 21.54 H new ATOM 0 HD1 PHE A 68 16.950 -15.575 -27.879 1.00 45.22 H new ATOM 0 HD2 PHE A 68 18.322 -15.207 -31.895 1.00 24.44 H new ATOM 0 HE1 PHE A 68 19.174 -14.932 -27.058 1.00 21.32 H new ATOM 0 HE2 PHE A 68 20.546 -14.562 -31.077 1.00 64.40 H new ATOM 0 HZ PHE A 68 20.976 -14.418 -28.656 1.00 60.24 H new ATOM 1068 N PHE A 69 13.276 -16.452 -29.071 1.00 64.40 N ATOM 1069 CA PHE A 69 11.822 -16.432 -29.174 1.00 63.41 C ATOM 1070 C PHE A 69 11.285 -15.012 -29.017 1.00 34.32 C ATOM 1071 O PHE A 69 11.078 -14.534 -27.902 1.00 62.44 O ATOM 1072 CB PHE A 69 11.203 -17.344 -28.113 1.00 5.13 C ATOM 1073 CG PHE A 69 9.703 -17.414 -28.183 1.00 23.30 C ATOM 1074 CD1 PHE A 69 9.078 -18.275 -29.070 1.00 42.11 C ATOM 1075 CD2 PHE A 69 8.920 -16.617 -27.365 1.00 14.24 C ATOM 1076 CE1 PHE A 69 7.699 -18.341 -29.138 1.00 52.12 C ATOM 1077 CE2 PHE A 69 7.540 -16.678 -27.427 1.00 13.20 C ATOM 1078 CZ PHE A 69 6.930 -17.543 -28.314 1.00 3.22 C ATOM 0 H PHE A 69 13.650 -15.927 -28.280 1.00 64.40 H new ATOM 0 HA PHE A 69 11.547 -16.798 -30.163 1.00 63.41 H new ATOM 0 HB2 PHE A 69 11.611 -18.348 -28.226 1.00 5.13 H new ATOM 0 HB3 PHE A 69 11.496 -16.990 -27.125 1.00 5.13 H new ATOM 0 HD1 PHE A 69 9.675 -18.902 -29.716 1.00 42.11 H new ATOM 0 HD2 PHE A 69 9.393 -15.939 -26.670 1.00 14.24 H new ATOM 0 HE1 PHE A 69 7.224 -19.016 -29.835 1.00 52.12 H new ATOM 0 HE2 PHE A 69 6.941 -16.051 -26.783 1.00 13.20 H new ATOM 0 HZ PHE A 69 5.852 -17.595 -28.363 1.00 3.22 H new ATOM 1088 N VAL A 70 11.062 -14.343 -30.145 1.00 51.23 N ATOM 1089 CA VAL A 70 10.548 -12.979 -30.134 1.00 53.12 C ATOM 1090 C VAL A 70 9.258 -12.870 -30.939 1.00 13.23 C ATOM 1091 O VAL A 70 9.042 -13.622 -31.890 1.00 23.10 O ATOM 1092 CB VAL A 70 11.580 -11.986 -30.703 1.00 52.31 C ATOM 1093 CG1 VAL A 70 11.116 -10.554 -30.490 1.00 23.12 C ATOM 1094 CG2 VAL A 70 12.944 -12.214 -30.069 1.00 41.35 C ATOM 0 H VAL A 70 11.229 -14.724 -31.076 1.00 51.23 H new ATOM 0 HA VAL A 70 10.345 -12.726 -29.093 1.00 53.12 H new ATOM 0 HB VAL A 70 11.671 -12.157 -31.776 1.00 52.31 H new ATOM 0 HG11 VAL A 70 11.857 -9.867 -30.898 1.00 23.12 H new ATOM 0 HG12 VAL A 70 10.163 -10.401 -30.996 1.00 23.12 H new ATOM 0 HG13 VAL A 70 10.995 -10.366 -29.423 1.00 23.12 H new ATOM 0 HG21 VAL A 70 13.661 -11.504 -30.482 1.00 41.35 H new ATOM 0 HG22 VAL A 70 12.873 -12.071 -28.991 1.00 41.35 H new ATOM 0 HG23 VAL A 70 13.278 -13.230 -30.279 1.00 41.35 H new ATOM 1104 N ASP A 71 8.403 -11.931 -30.553 1.00 3.15 N ATOM 1105 CA ASP A 71 7.134 -11.722 -31.239 1.00 54.03 C ATOM 1106 C ASP A 71 6.265 -12.974 -31.167 1.00 20.14 C ATOM 1107 O ASP A 71 5.525 -13.283 -32.100 1.00 62.44 O ATOM 1108 CB ASP A 71 7.376 -11.337 -32.699 1.00 64.34 C ATOM 1109 CG ASP A 71 6.154 -10.712 -33.344 1.00 14.24 C ATOM 1110 OD1 ASP A 71 5.385 -10.039 -32.626 1.00 51.33 O1- ATOM 1111 OD2 ASP A 71 5.968 -10.897 -34.565 1.00 63.53 O ATOM 0 H ASP A 71 8.566 -11.301 -29.767 1.00 3.15 H new ATOM 0 HA ASP A 71 6.609 -10.908 -30.739 1.00 54.03 H new ATOM 0 HB2 ASP A 71 8.210 -10.637 -32.754 1.00 64.34 H new ATOM 0 HB3 ASP A 71 7.667 -12.224 -33.262 1.00 64.34 H new ATOM 1116 N GLY A 72 6.362 -13.693 -30.053 1.00 2.30 N ATOM 1117 CA GLY A 72 5.582 -14.904 -29.880 1.00 30.24 C ATOM 1118 C GLY A 72 5.933 -15.971 -30.899 1.00 72.25 C ATOM 1119 O GLY A 72 5.077 -16.756 -31.304 1.00 21.11 O ATOM 0 H GLY A 72 6.968 -13.458 -29.267 1.00 2.30 H new ATOM 0 HA2 GLY A 72 5.745 -15.297 -28.876 1.00 30.24 H new ATOM 0 HA3 GLY A 72 4.522 -14.664 -29.960 1.00 30.24 H new ATOM 1123 N GLN A 73 7.194 -15.996 -31.315 1.00 45.23 N ATOM 1124 CA GLN A 73 7.656 -16.973 -32.295 1.00 20.11 C ATOM 1125 C GLN A 73 9.160 -17.195 -32.176 1.00 25.04 C ATOM 1126 O GLN A 73 9.896 -16.306 -31.749 1.00 32.35 O ATOM 1127 CB GLN A 73 7.307 -16.510 -33.711 1.00 33.33 C ATOM 1128 CG GLN A 73 8.056 -15.260 -34.144 1.00 51.12 C ATOM 1129 CD GLN A 73 7.914 -14.980 -35.627 1.00 31.44 C ATOM 1130 OE1 GLN A 73 7.767 -15.900 -36.433 1.00 52.31 O ATOM 1131 NE2 GLN A 73 7.959 -13.706 -35.996 1.00 32.52 N ATOM 0 H GLN A 73 7.915 -15.352 -30.989 1.00 45.23 H new ATOM 0 HA GLN A 73 7.151 -17.918 -32.094 1.00 20.11 H new ATOM 0 HB2 GLN A 73 7.526 -17.316 -34.412 1.00 33.33 H new ATOM 0 HB3 GLN A 73 6.235 -16.320 -33.768 1.00 33.33 H new ATOM 0 HG2 GLN A 73 7.685 -14.405 -33.579 1.00 51.12 H new ATOM 0 HG3 GLN A 73 9.112 -15.370 -33.898 1.00 51.12 H new ATOM 0 HE21 GLN A 73 8.082 -12.976 -35.294 1.00 32.52 H new ATOM 0 HE22 GLN A 73 7.870 -13.457 -36.981 1.00 32.52 H new ATOM 1140 N TRP A 74 9.608 -18.386 -32.557 1.00 23.22 N ATOM 1141 CA TRP A 74 11.026 -18.725 -32.492 1.00 12.20 C ATOM 1142 C TRP A 74 11.771 -18.178 -33.705 1.00 60.11 C ATOM 1143 O TRP A 74 11.520 -18.591 -34.837 1.00 24.22 O ATOM 1144 CB TRP A 74 11.205 -20.241 -32.407 1.00 50.12 C ATOM 1145 CG TRP A 74 10.707 -20.828 -31.121 1.00 43.22 C ATOM 1146 CD1 TRP A 74 9.506 -21.442 -30.913 1.00 54.41 C ATOM 1147 CD2 TRP A 74 11.397 -20.852 -29.867 1.00 32.22 C ATOM 1148 NE1 TRP A 74 9.408 -21.848 -29.602 1.00 41.32 N ATOM 1149 CE2 TRP A 74 10.554 -21.498 -28.941 1.00 15.44 C ATOM 1150 CE3 TRP A 74 12.644 -20.392 -29.436 1.00 73.11 C ATOM 1151 CZ2 TRP A 74 10.921 -21.694 -27.613 1.00 32.40 C ATOM 1152 CZ3 TRP A 74 13.006 -20.587 -28.117 1.00 32.22 C ATOM 1153 CH2 TRP A 74 12.148 -21.234 -27.218 1.00 52.42 C ATOM 0 H TRP A 74 9.011 -19.132 -32.914 1.00 23.22 H new ATOM 0 HA TRP A 74 11.444 -18.267 -31.596 1.00 12.20 H new ATOM 0 HB2 TRP A 74 10.679 -20.709 -33.239 1.00 50.12 H new ATOM 0 HB3 TRP A 74 12.262 -20.482 -32.522 1.00 50.12 H new ATOM 0 HD1 TRP A 74 8.745 -21.588 -31.666 1.00 54.41 H new ATOM 0 HE1 TRP A 74 8.610 -22.332 -29.190 1.00 41.32 H new ATOM 0 HE3 TRP A 74 13.313 -19.893 -30.122 1.00 73.11 H new ATOM 0 HZ2 TRP A 74 10.261 -22.192 -26.918 1.00 32.40 H new ATOM 0 HZ3 TRP A 74 13.967 -20.235 -27.773 1.00 32.22 H new ATOM 0 HH2 TRP A 74 12.461 -21.372 -26.194 1.00 52.42 H new ATOM 1164 N VAL A 75 12.691 -17.250 -33.460 1.00 42.22 N ATOM 1165 CA VAL A 75 13.473 -16.649 -34.533 1.00 53.15 C ATOM 1166 C VAL A 75 14.966 -16.862 -34.309 1.00 42.43 C ATOM 1167 O VAL A 75 15.388 -17.309 -33.242 1.00 15.11 O ATOM 1168 CB VAL A 75 13.194 -15.138 -34.652 1.00 14.03 C ATOM 1169 CG1 VAL A 75 11.720 -14.888 -34.928 1.00 25.31 C ATOM 1170 CG2 VAL A 75 13.641 -14.413 -33.393 1.00 33.52 C ATOM 0 H VAL A 75 12.913 -16.899 -32.528 1.00 42.22 H new ATOM 0 HA VAL A 75 13.173 -17.141 -35.458 1.00 53.15 H new ATOM 0 HB VAL A 75 13.767 -14.745 -35.492 1.00 14.03 H new ATOM 0 HG11 VAL A 75 11.542 -13.816 -35.009 1.00 25.31 H new ATOM 0 HG12 VAL A 75 11.437 -15.374 -35.862 1.00 25.31 H new ATOM 0 HG13 VAL A 75 11.123 -15.294 -34.112 1.00 25.31 H new ATOM 0 HG21 VAL A 75 13.436 -13.347 -33.495 1.00 33.52 H new ATOM 0 HG22 VAL A 75 13.097 -14.806 -32.534 1.00 33.52 H new ATOM 0 HG23 VAL A 75 14.710 -14.565 -33.246 1.00 33.52 H new ATOM 1180 N HIS A 76 15.763 -16.538 -35.322 1.00 54.12 N ATOM 1181 CA HIS A 76 17.212 -16.693 -35.236 1.00 10.02 C ATOM 1182 C HIS A 76 17.921 -15.655 -36.100 1.00 43.22 C ATOM 1183 O HIS A 76 17.331 -15.091 -37.020 1.00 33.44 O ATOM 1184 CB HIS A 76 17.621 -18.102 -35.669 1.00 62.13 C ATOM 1185 CG HIS A 76 17.469 -18.343 -37.140 1.00 63.23 C ATOM 1186 ND1 HIS A 76 18.182 -17.878 -38.192 1.00 33.14 N flip ATOM 1187 CD2 HIS A 76 16.486 -19.150 -37.672 1.00 1.42 C flip ATOM 1188 CE1 HIS A 76 17.623 -18.407 -39.329 1.00 52.22 C flip ATOM 1189 NE2 HIS A 76 16.602 -19.172 -38.989 1.00 14.42 N flip ATOM 0 H HIS A 76 15.431 -16.167 -36.212 1.00 54.12 H new ATOM 0 HA HIS A 76 17.509 -16.540 -34.199 1.00 10.02 H new ATOM 0 HB2 HIS A 76 18.660 -18.273 -35.386 1.00 62.13 H new ATOM 0 HB3 HIS A 76 17.019 -18.830 -35.125 1.00 62.13 H new ATOM 0 HD2 HIS A 76 15.738 -19.681 -37.102 1.00 1.42 H new ATOM 0 HE1 HIS A 76 17.963 -18.227 -40.338 1.00 52.22 H new ATOM 0 HE2 HIS A 76 16.005 -19.691 -39.632 1.00 14.42 H new ATOM 1197 N ASP A 77 19.191 -15.409 -35.796 1.00 61.11 N ATOM 1198 CA ASP A 77 19.982 -14.439 -36.545 1.00 41.41 C ATOM 1199 C ASP A 77 20.826 -15.133 -37.609 1.00 24.02 C ATOM 1200 O ASP A 77 21.473 -16.149 -37.358 1.00 23.04 O ATOM 1201 CB ASP A 77 20.883 -13.645 -35.598 1.00 44.44 C ATOM 1202 CG ASP A 77 21.179 -12.250 -36.114 1.00 1.12 C ATOM 1203 OD1 ASP A 77 22.061 -12.115 -36.988 1.00 34.33 O ATOM 1204 OD2 ASP A 77 20.527 -11.294 -35.645 1.00 10.11 O1- ATOM 0 H ASP A 77 19.694 -15.868 -35.037 1.00 61.11 H new ATOM 0 HA ASP A 77 19.296 -13.753 -37.042 1.00 41.41 H new ATOM 0 HB2 ASP A 77 20.405 -13.574 -34.621 1.00 44.44 H new ATOM 0 HB3 ASP A 77 21.820 -14.183 -35.456 1.00 44.44 H new ATOM 1209 N PRO A 78 20.820 -14.572 -38.828 1.00 15.43 N ATOM 1210 CA PRO A 78 21.579 -15.119 -39.956 1.00 4.43 C ATOM 1211 C PRO A 78 23.084 -14.950 -39.778 1.00 61.31 C ATOM 1212 O PRO A 78 23.875 -15.714 -40.332 1.00 23.50 O ATOM 1213 CB PRO A 78 21.085 -14.298 -41.149 1.00 61.03 C ATOM 1214 CG PRO A 78 20.617 -13.014 -40.557 1.00 70.11 C ATOM 1215 CD PRO A 78 20.071 -13.359 -39.199 1.00 31.15 C ATOM 0 HA PRO A 78 21.425 -16.192 -40.068 1.00 4.43 H new ATOM 0 HB2 PRO A 78 21.883 -14.133 -41.873 1.00 61.03 H new ATOM 0 HB3 PRO A 78 20.278 -14.809 -41.674 1.00 61.03 H new ATOM 0 HG2 PRO A 78 21.436 -12.299 -40.478 1.00 70.11 H new ATOM 0 HG3 PRO A 78 19.851 -12.553 -41.180 1.00 70.11 H new ATOM 0 HD2 PRO A 78 20.233 -12.552 -38.484 1.00 31.15 H new ATOM 0 HD3 PRO A 78 18.997 -13.544 -39.233 1.00 31.15 H new ATOM 1223 N SER A 79 23.474 -13.944 -39.001 1.00 34.01 N ATOM 1224 CA SER A 79 24.885 -13.672 -38.753 1.00 21.01 C ATOM 1225 C SER A 79 25.473 -14.693 -37.784 1.00 1.21 C ATOM 1226 O SER A 79 26.663 -15.003 -37.840 1.00 44.53 O ATOM 1227 CB SER A 79 25.063 -12.259 -38.195 1.00 32.35 C ATOM 1228 OG SER A 79 26.392 -11.801 -38.379 1.00 23.51 O ATOM 0 H SER A 79 22.833 -13.304 -38.533 1.00 34.01 H new ATOM 0 HA SER A 79 25.417 -13.750 -39.701 1.00 21.01 H new ATOM 0 HB2 SER A 79 24.369 -11.579 -38.690 1.00 32.35 H new ATOM 0 HB3 SER A 79 24.816 -12.250 -37.133 1.00 32.35 H new ATOM 0 HG SER A 79 26.479 -10.895 -38.015 1.00 23.51 H new ATOM 1234 N GLU A 80 24.630 -15.210 -36.896 1.00 41.40 N ATOM 1235 CA GLU A 80 25.066 -16.195 -35.914 1.00 72.34 C ATOM 1236 C GLU A 80 25.119 -17.590 -36.528 1.00 21.05 C ATOM 1237 O GLU A 80 24.510 -17.865 -37.562 1.00 74.53 O ATOM 1238 CB GLU A 80 24.126 -16.193 -34.706 1.00 2.30 C ATOM 1239 CG GLU A 80 24.554 -15.241 -33.602 1.00 10.13 C ATOM 1240 CD GLU A 80 23.607 -15.257 -32.418 1.00 3.42 C ATOM 1241 OE1 GLU A 80 22.535 -15.887 -32.525 1.00 15.10 O ATOM 1242 OE2 GLU A 80 23.939 -14.638 -31.384 1.00 21.22 O1- ATOM 0 H GLU A 80 23.642 -14.963 -36.837 1.00 41.40 H new ATOM 0 HA GLU A 80 26.069 -15.924 -35.586 1.00 72.34 H new ATOM 0 HB2 GLU A 80 23.123 -15.924 -35.037 1.00 2.30 H new ATOM 0 HB3 GLU A 80 24.067 -17.203 -34.300 1.00 2.30 H new ATOM 0 HG2 GLU A 80 25.556 -15.508 -33.265 1.00 10.13 H new ATOM 0 HG3 GLU A 80 24.612 -14.229 -34.002 1.00 10.13 H new ATOM 1249 N PRO A 81 25.867 -18.495 -35.879 1.00 13.13 N ATOM 1250 CA PRO A 81 26.019 -19.877 -36.342 1.00 34.44 C ATOM 1251 C PRO A 81 24.734 -20.684 -36.189 1.00 52.34 C ATOM 1252 O PRO A 81 24.570 -21.432 -35.225 1.00 32.21 O ATOM 1253 CB PRO A 81 27.114 -20.438 -35.433 1.00 71.33 C ATOM 1254 CG PRO A 81 27.040 -19.611 -34.195 1.00 70.53 C ATOM 1255 CD PRO A 81 26.622 -18.238 -34.640 1.00 61.31 C ATOM 0 HA PRO A 81 26.261 -19.927 -37.404 1.00 34.44 H new ATOM 0 HB2 PRO A 81 26.946 -21.493 -35.215 1.00 71.33 H new ATOM 0 HB3 PRO A 81 28.095 -20.362 -35.902 1.00 71.33 H new ATOM 0 HG2 PRO A 81 26.322 -20.028 -33.489 1.00 70.53 H new ATOM 0 HG3 PRO A 81 28.004 -19.580 -33.688 1.00 70.53 H new ATOM 0 HD2 PRO A 81 26.006 -17.743 -33.890 1.00 61.31 H new ATOM 0 HD3 PRO A 81 27.483 -17.595 -34.820 1.00 61.31 H new ATOM 1263 N VAL A 82 23.825 -20.528 -37.147 1.00 53.33 N ATOM 1264 CA VAL A 82 22.555 -21.244 -37.119 1.00 75.02 C ATOM 1265 C VAL A 82 22.650 -22.562 -37.880 1.00 72.11 C ATOM 1266 O VAL A 82 23.473 -22.712 -38.783 1.00 30.20 O ATOM 1267 CB VAL A 82 21.420 -20.397 -37.722 1.00 12.11 C ATOM 1268 CG1 VAL A 82 21.150 -19.173 -36.860 1.00 54.42 C ATOM 1269 CG2 VAL A 82 21.759 -19.991 -39.149 1.00 55.33 C ATOM 0 H VAL A 82 23.945 -19.912 -37.951 1.00 53.33 H new ATOM 0 HA VAL A 82 22.330 -21.448 -36.072 1.00 75.02 H new ATOM 0 HB VAL A 82 20.513 -21.001 -37.746 1.00 12.11 H new ATOM 0 HG11 VAL A 82 20.345 -18.587 -37.303 1.00 54.42 H new ATOM 0 HG12 VAL A 82 20.860 -19.490 -35.858 1.00 54.42 H new ATOM 0 HG13 VAL A 82 22.052 -18.564 -36.801 1.00 54.42 H new ATOM 0 HG21 VAL A 82 20.946 -19.393 -39.560 1.00 55.33 H new ATOM 0 HG22 VAL A 82 22.678 -19.405 -39.152 1.00 55.33 H new ATOM 0 HG23 VAL A 82 21.896 -20.884 -39.759 1.00 55.33 H new ATOM 1279 N VAL A 83 21.803 -23.516 -37.507 1.00 45.51 N ATOM 1280 CA VAL A 83 21.789 -24.822 -38.156 1.00 23.24 C ATOM 1281 C VAL A 83 20.431 -25.497 -38.004 1.00 60.32 C ATOM 1282 O VAL A 83 19.738 -25.307 -37.003 1.00 51.55 O ATOM 1283 CB VAL A 83 22.878 -25.746 -37.578 1.00 54.51 C ATOM 1284 CG1 VAL A 83 22.615 -26.026 -36.105 1.00 32.22 C ATOM 1285 CG2 VAL A 83 22.951 -27.042 -38.370 1.00 63.11 C ATOM 0 H VAL A 83 21.118 -23.409 -36.759 1.00 45.51 H new ATOM 0 HA VAL A 83 21.990 -24.653 -39.214 1.00 23.24 H new ATOM 0 HB VAL A 83 23.840 -25.241 -37.661 1.00 54.51 H new ATOM 0 HG11 VAL A 83 23.394 -26.680 -35.714 1.00 32.22 H new ATOM 0 HG12 VAL A 83 22.617 -25.088 -35.550 1.00 32.22 H new ATOM 0 HG13 VAL A 83 21.645 -26.511 -35.994 1.00 32.22 H new ATOM 0 HG21 VAL A 83 23.725 -27.683 -37.948 1.00 63.11 H new ATOM 0 HG22 VAL A 83 21.990 -27.553 -38.320 1.00 63.11 H new ATOM 0 HG23 VAL A 83 23.190 -26.820 -39.410 1.00 63.11 H new ATOM 1377 N ILE A 90 15.415 -24.557 -37.530 1.00 10.10 N ATOM 1378 CA ILE A 90 16.708 -23.896 -37.401 1.00 62.35 C ATOM 1379 C ILE A 90 16.966 -23.468 -35.960 1.00 75.12 C ATOM 1380 O ILE A 90 16.044 -23.082 -35.242 1.00 35.51 O ATOM 1381 CB ILE A 90 16.802 -22.660 -38.315 1.00 41.43 C ATOM 1382 CG1 ILE A 90 16.457 -23.038 -39.757 1.00 0.30 C ATOM 1383 CG2 ILE A 90 18.194 -22.050 -38.241 1.00 75.22 C ATOM 1384 CD1 ILE A 90 17.496 -23.918 -40.417 1.00 52.12 C ATOM 0 HA ILE A 90 17.464 -24.621 -37.704 1.00 62.35 H new ATOM 0 HB ILE A 90 16.082 -21.917 -37.971 1.00 41.43 H new ATOM 0 HG12 ILE A 90 15.496 -23.553 -39.769 1.00 0.30 H new ATOM 0 HG13 ILE A 90 16.338 -22.127 -40.344 1.00 0.30 H new ATOM 0 HG21 ILE A 90 18.244 -21.178 -38.893 1.00 75.22 H new ATOM 0 HG22 ILE A 90 18.405 -21.749 -37.215 1.00 75.22 H new ATOM 0 HG23 ILE A 90 18.931 -22.786 -38.563 1.00 75.22 H new ATOM 0 HD11 ILE A 90 17.185 -24.146 -41.437 1.00 52.12 H new ATOM 0 HD12 ILE A 90 18.454 -23.398 -40.437 1.00 52.12 H new ATOM 0 HD13 ILE A 90 17.599 -24.845 -39.853 1.00 52.12 H new ATOM 1396 N ASN A 91 18.226 -23.539 -35.544 1.00 74.31 N ATOM 1397 CA ASN A 91 18.606 -23.157 -34.189 1.00 40.23 C ATOM 1398 C ASN A 91 20.016 -22.575 -34.162 1.00 12.32 C ATOM 1399 O ASN A 91 20.831 -22.855 -35.040 1.00 61.32 O ATOM 1400 CB ASN A 91 18.524 -24.367 -33.255 1.00 75.11 C ATOM 1401 CG ASN A 91 18.879 -25.663 -33.956 1.00 53.20 C ATOM 1402 OD1 ASN A 91 18.144 -26.134 -34.824 1.00 42.42 O ATOM 1403 ND2 ASN A 91 20.011 -26.248 -33.580 1.00 13.21 N ATOM 0 H ASN A 91 19.001 -23.857 -36.126 1.00 74.31 H new ATOM 0 HA ASN A 91 17.910 -22.392 -33.845 1.00 40.23 H new ATOM 0 HB2 ASN A 91 19.197 -24.217 -32.411 1.00 75.11 H new ATOM 0 HB3 ASN A 91 17.515 -24.441 -32.849 1.00 75.11 H new ATOM 0 HD21 ASN A 91 20.302 -27.123 -34.015 1.00 13.21 H new ATOM 0 HD22 ASN A 91 20.589 -25.822 -32.856 1.00 13.21 H new ATOM 1410 N ASN A 92 20.295 -21.762 -33.148 1.00 4.32 N ATOM 1411 CA ASN A 92 21.607 -21.140 -33.006 1.00 54.51 C ATOM 1412 C ASN A 92 22.615 -22.123 -32.417 1.00 33.33 C ATOM 1413 O ASN A 92 22.252 -23.217 -31.984 1.00 14.13 O ATOM 1414 CB ASN A 92 21.512 -19.897 -32.120 1.00 61.45 C ATOM 1415 CG ASN A 92 20.767 -18.762 -32.794 1.00 60.54 C ATOM 1416 OD1 ASN A 92 21.365 -18.200 -33.838 1.00 53.33 O flip ATOM 1417 ND2 ASN A 92 19.667 -18.394 -32.381 1.00 23.44 N flip ATOM 0 H ASN A 92 19.631 -21.519 -32.413 1.00 4.32 H new ATOM 0 HA ASN A 92 21.951 -20.846 -33.998 1.00 54.51 H new ATOM 0 HB2 ASN A 92 21.009 -20.156 -31.189 1.00 61.45 H new ATOM 0 HB3 ASN A 92 22.516 -19.564 -31.858 1.00 61.45 H new ATOM 0 HD21 ASN A 92 19.245 -18.855 -31.575 1.00 23.44 H new ATOM 0 HD22 ASN A 92 19.178 -17.628 -32.845 1.00 23.44 H new ATOM 1424 N LEU A 93 23.882 -21.725 -32.404 1.00 32.05 N ATOM 1425 CA LEU A 93 24.943 -22.570 -31.868 1.00 34.14 C ATOM 1426 C LEU A 93 25.850 -21.777 -30.931 1.00 2.14 C ATOM 1427 O LEU A 93 26.279 -20.670 -31.258 1.00 5.21 O ATOM 1428 CB LEU A 93 25.769 -23.171 -33.008 1.00 74.14 C ATOM 1429 CG LEU A 93 26.942 -24.058 -32.590 1.00 42.32 C ATOM 1430 CD1 LEU A 93 26.468 -25.174 -31.672 1.00 3.13 C ATOM 1431 CD2 LEU A 93 27.639 -24.633 -33.815 1.00 72.43 C ATOM 0 H LEU A 93 24.200 -20.823 -32.758 1.00 32.05 H new ATOM 0 HA LEU A 93 24.479 -23.376 -31.299 1.00 34.14 H new ATOM 0 HB2 LEU A 93 25.104 -23.757 -33.642 1.00 74.14 H new ATOM 0 HB3 LEU A 93 26.156 -22.355 -33.619 1.00 74.14 H new ATOM 0 HG LEU A 93 27.658 -23.445 -32.043 1.00 42.32 H new ATOM 0 HD11 LEU A 93 27.317 -25.795 -31.385 1.00 3.13 H new ATOM 0 HD12 LEU A 93 26.016 -24.743 -30.779 1.00 3.13 H new ATOM 0 HD13 LEU A 93 25.731 -25.785 -32.193 1.00 3.13 H new ATOM 0 HD21 LEU A 93 28.471 -25.262 -33.498 1.00 72.43 H new ATOM 0 HD22 LEU A 93 26.931 -25.230 -34.390 1.00 72.43 H new ATOM 0 HD23 LEU A 93 28.014 -23.819 -34.435 1.00 72.43 H new ATOM 1443 N ILE A 94 26.138 -22.352 -29.769 1.00 14.30 N ATOM 1444 CA ILE A 94 26.996 -21.700 -28.787 1.00 21.03 C ATOM 1445 C ILE A 94 28.104 -22.636 -28.318 1.00 2.32 C ATOM 1446 O ILE A 94 27.881 -23.831 -28.119 1.00 25.24 O ATOM 1447 CB ILE A 94 26.191 -21.224 -27.564 1.00 25.21 C ATOM 1448 CG1 ILE A 94 27.118 -20.571 -26.537 1.00 25.24 C ATOM 1449 CG2 ILE A 94 25.437 -22.388 -26.939 1.00 53.44 C ATOM 1450 CD1 ILE A 94 26.546 -19.316 -25.917 1.00 45.44 C ATOM 0 H ILE A 94 25.790 -23.268 -29.484 1.00 14.30 H new ATOM 0 HA ILE A 94 27.439 -20.834 -29.280 1.00 21.03 H new ATOM 0 HB ILE A 94 25.465 -20.481 -27.894 1.00 25.21 H new ATOM 0 HG12 ILE A 94 27.335 -21.290 -25.747 1.00 25.24 H new ATOM 0 HG13 ILE A 94 28.066 -20.329 -27.018 1.00 25.24 H new ATOM 0 HG21 ILE A 94 24.873 -22.035 -26.076 1.00 53.44 H new ATOM 0 HG22 ILE A 94 24.751 -22.812 -27.672 1.00 53.44 H new ATOM 0 HG23 ILE A 94 26.146 -23.152 -26.621 1.00 53.44 H new ATOM 0 HD11 ILE A 94 27.258 -18.908 -25.199 1.00 45.44 H new ATOM 0 HD12 ILE A 94 26.355 -18.579 -26.697 1.00 45.44 H new ATOM 0 HD13 ILE A 94 25.613 -19.555 -25.407 1.00 45.44 H new ATOM 1462 N HIS A 95 29.302 -22.085 -28.142 1.00 34.15 N ATOM 1463 CA HIS A 95 30.446 -22.870 -27.694 1.00 64.32 C ATOM 1464 C HIS A 95 31.063 -22.263 -26.438 1.00 64.02 C ATOM 1465 O HIS A 95 31.730 -21.231 -26.497 1.00 35.41 O ATOM 1466 CB HIS A 95 31.497 -22.957 -28.801 1.00 24.45 C ATOM 1467 CG HIS A 95 30.923 -23.267 -30.150 1.00 31.14 C ATOM 1468 ND1 HIS A 95 30.697 -22.304 -31.111 1.00 4.01 N ATOM 1469 CD2 HIS A 95 30.530 -24.441 -30.696 1.00 34.13 C ATOM 1470 CE1 HIS A 95 30.188 -22.873 -32.189 1.00 5.54 C ATOM 1471 NE2 HIS A 95 30.077 -24.170 -31.964 1.00 74.23 N ATOM 0 H HIS A 95 29.505 -21.098 -28.303 1.00 34.15 H new ATOM 0 HA HIS A 95 30.095 -23.874 -27.457 1.00 64.32 H new ATOM 0 HB2 HIS A 95 32.036 -22.011 -28.854 1.00 24.45 H new ATOM 0 HB3 HIS A 95 32.225 -23.725 -28.540 1.00 24.45 H new ATOM 0 HD1 HIS A 95 30.892 -21.308 -31.006 1.00 4.01 H new ATOM 0 HD2 HIS A 95 30.566 -25.411 -30.223 1.00 34.13 H new ATOM 0 HE1 HIS A 95 29.910 -22.364 -33.100 1.00 5.54 H new ATOM 1479 N VAL A 96 30.835 -22.912 -25.300 1.00 71.10 N ATOM 1480 CA VAL A 96 31.368 -22.437 -24.029 1.00 11.24 C ATOM 1481 C VAL A 96 32.666 -23.155 -23.675 1.00 23.32 C ATOM 1482 O VAL A 96 32.833 -24.339 -23.967 1.00 52.24 O ATOM 1483 CB VAL A 96 30.355 -22.636 -22.886 1.00 22.23 C ATOM 1484 CG1 VAL A 96 30.938 -22.156 -21.566 1.00 42.13 C ATOM 1485 CG2 VAL A 96 29.053 -21.914 -23.197 1.00 41.02 C ATOM 0 H VAL A 96 30.285 -23.768 -25.233 1.00 71.10 H new ATOM 0 HA VAL A 96 31.566 -21.372 -24.147 1.00 11.24 H new ATOM 0 HB VAL A 96 30.141 -23.701 -22.795 1.00 22.23 H new ATOM 0 HG11 VAL A 96 30.208 -22.305 -20.770 1.00 42.13 H new ATOM 0 HG12 VAL A 96 31.841 -22.722 -21.340 1.00 42.13 H new ATOM 0 HG13 VAL A 96 31.183 -21.097 -21.640 1.00 42.13 H new ATOM 0 HG21 VAL A 96 28.349 -22.065 -22.379 1.00 41.02 H new ATOM 0 HG22 VAL A 96 29.247 -20.848 -23.316 1.00 41.02 H new ATOM 0 HG23 VAL A 96 28.628 -22.311 -24.119 1.00 41.02 H new