USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=18 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 :FLIP amide:sc= 0.809 F(o=-0.46,f=0.2) USER MOD Set 1.2: A 91 ASN :FLIP amide:sc= -0.609 F(o=-0.46,f=0.2) USER MOD Set 2.1: A 50 HIS :FLIP no HD1:sc= 0.118 F(o=-0.43,f=0.15) USER MOD Set 2.2: A 51 ASN :FLIP amide:sc= 0.0324 X(o=-0.0091,f=0.15) USER MOD Set 3.1: A 34 SER OG : rot 97:sc= 0.97 USER MOD Set 3.2: A 38 ASN : amide:sc= -3.14! C(o=-2.2!,f=-9!) USER MOD Single : A 20 THR OG1 : rot 150:sc= -1.32 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.9!) USER MOD Single : A 41 SER OG : rot -35:sc= 0.882 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= -0.909 (180deg=-0.957) 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 64 HIS : no HE2:sc= -1.47 X(o=-1.5,f=-1.6) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 166:sc= 0.412 (180deg=0.00209) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -1.23 F(o=-3.1!,f=-1.2) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.425 K(o=-0.42,f=-1.1) USER MOD Single : A 95 HIS : no HE2:sc= -2.52 K(o=-2.5,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 233 N ALA A 17 29.086 -22.707 -13.199 1.00 12.42 N ATOM 234 CA ALA A 17 29.575 -22.626 -14.570 1.00 42.35 C ATOM 235 C ALA A 17 29.658 -21.177 -15.039 1.00 62.44 C ATOM 236 O ALA A 17 29.129 -20.275 -14.390 1.00 42.53 O ATOM 237 CB ALA A 17 28.680 -23.433 -15.499 1.00 33.33 C ATOM 0 HA ALA A 17 30.580 -23.047 -14.596 1.00 42.35 H new ATOM 0 HB1 ALA A 17 29.057 -23.363 -16.519 1.00 33.33 H new ATOM 0 HB2 ALA A 17 28.676 -24.477 -15.184 1.00 33.33 H new ATOM 0 HB3 ALA A 17 27.665 -23.038 -15.460 1.00 33.33 H new ATOM 243 N ARG A 18 30.325 -20.962 -16.167 1.00 70.43 N ATOM 244 CA ARG A 18 30.479 -19.622 -16.721 1.00 32.44 C ATOM 245 C ARG A 18 29.195 -19.169 -17.411 1.00 34.41 C ATOM 246 O ARG A 18 28.375 -19.979 -17.845 1.00 12.32 O ATOM 247 CB ARG A 18 31.643 -19.588 -17.712 1.00 12.31 C ATOM 248 CG ARG A 18 32.967 -19.188 -17.083 1.00 64.34 C ATOM 249 CD ARG A 18 34.074 -19.096 -18.122 1.00 1.20 C ATOM 250 NE ARG A 18 35.134 -18.179 -17.713 1.00 31.54 N ATOM 251 CZ ARG A 18 35.993 -17.625 -18.562 1.00 74.52 C ATOM 252 NH1 ARG A 18 35.918 -17.894 -19.857 1.00 5.14 N1+ ATOM 253 NH2 ARG A 18 36.931 -16.799 -18.113 1.00 25.53 N ATOM 0 H ARG A 18 30.768 -21.699 -16.716 1.00 70.43 H new ATOM 0 HA ARG A 18 30.691 -18.938 -15.899 1.00 32.44 H new ATOM 0 HB2 ARG A 18 31.750 -20.572 -18.168 1.00 12.31 H new ATOM 0 HB3 ARG A 18 31.406 -18.889 -18.514 1.00 12.31 H new ATOM 0 HG2 ARG A 18 32.857 -18.226 -16.582 1.00 64.34 H new ATOM 0 HG3 ARG A 18 33.243 -19.916 -16.320 1.00 64.34 H new ATOM 0 HD2 ARG A 18 34.497 -20.087 -18.290 1.00 1.20 H new ATOM 0 HD3 ARG A 18 33.654 -18.764 -19.071 1.00 1.20 H new ATOM 0 HE ARG A 18 35.220 -17.951 -16.722 1.00 31.54 H new ATOM 0 HH11 ARG A 18 35.199 -18.528 -20.205 1.00 5.14 H new ATOM 0 HH12 ARG A 18 36.579 -17.467 -20.506 1.00 5.14 H new ATOM 0 HH21 ARG A 18 36.992 -16.590 -17.117 1.00 25.53 H new ATOM 0 HH22 ARG A 18 37.590 -16.374 -18.765 1.00 25.53 H new ATOM 267 N PRO A 19 29.015 -17.844 -17.516 1.00 3.15 N ATOM 268 CA PRO A 19 27.835 -17.254 -18.152 1.00 23.40 C ATOM 269 C PRO A 19 27.817 -17.473 -19.661 1.00 70.32 C ATOM 270 O PRO A 19 28.830 -17.842 -20.257 1.00 5.33 O ATOM 271 CB PRO A 19 27.966 -15.763 -17.831 1.00 44.10 C ATOM 272 CG PRO A 19 29.426 -15.547 -17.625 1.00 71.22 C ATOM 273 CD PRO A 19 29.952 -16.820 -17.022 1.00 71.44 C ATOM 0 HA PRO A 19 26.911 -17.703 -17.789 1.00 23.40 H new ATOM 0 HB2 PRO A 19 27.586 -15.148 -18.646 1.00 44.10 H new ATOM 0 HB3 PRO A 19 27.397 -15.498 -16.940 1.00 44.10 H new ATOM 0 HG2 PRO A 19 29.925 -15.327 -18.569 1.00 71.22 H new ATOM 0 HG3 PRO A 19 29.606 -14.699 -16.964 1.00 71.22 H new ATOM 0 HD2 PRO A 19 30.974 -17.023 -17.341 1.00 71.44 H new ATOM 0 HD3 PRO A 19 29.961 -16.775 -15.933 1.00 71.44 H new ATOM 281 N THR A 20 26.660 -17.245 -20.275 1.00 62.41 N ATOM 282 CA THR A 20 26.512 -17.420 -21.714 1.00 11.43 C ATOM 283 C THR A 20 26.626 -16.086 -22.443 1.00 21.11 C ATOM 284 O THR A 20 26.389 -15.027 -21.863 1.00 33.42 O ATOM 285 CB THR A 20 25.159 -18.070 -22.065 1.00 72.41 C ATOM 286 OG1 THR A 20 25.162 -18.498 -23.431 1.00 51.10 O ATOM 287 CG2 THR A 20 24.014 -17.093 -21.835 1.00 52.22 C ATOM 0 H THR A 20 25.812 -16.939 -19.798 1.00 62.41 H new ATOM 0 HA THR A 20 27.318 -18.079 -22.038 1.00 11.43 H new ATOM 0 HB THR A 20 25.015 -18.933 -21.415 1.00 72.41 H new ATOM 0 HG1 THR A 20 24.581 -19.281 -23.530 1.00 51.10 H new ATOM 0 HG21 THR A 20 23.069 -17.573 -22.089 1.00 52.22 H new ATOM 0 HG22 THR A 20 23.998 -16.792 -20.788 1.00 52.22 H new ATOM 0 HG23 THR A 20 24.154 -16.213 -22.463 1.00 52.22 H new ATOM 295 N VAL A 21 26.991 -16.146 -23.721 1.00 64.42 N ATOM 296 CA VAL A 21 27.134 -14.942 -24.531 1.00 34.44 C ATOM 297 C VAL A 21 25.983 -14.805 -25.521 1.00 4.33 C ATOM 298 O VAL A 21 25.980 -15.439 -26.576 1.00 53.11 O ATOM 299 CB VAL A 21 28.466 -14.943 -25.306 1.00 74.51 C ATOM 300 CG1 VAL A 21 28.592 -13.686 -26.153 1.00 1.42 C ATOM 301 CG2 VAL A 21 29.640 -15.070 -24.347 1.00 42.33 C ATOM 0 H VAL A 21 27.193 -17.015 -24.216 1.00 64.42 H new ATOM 0 HA VAL A 21 27.121 -14.095 -23.845 1.00 34.44 H new ATOM 0 HB VAL A 21 28.477 -15.804 -25.974 1.00 74.51 H new ATOM 0 HG11 VAL A 21 29.539 -13.704 -26.693 1.00 1.42 H new ATOM 0 HG12 VAL A 21 27.769 -13.644 -26.866 1.00 1.42 H new ATOM 0 HG13 VAL A 21 28.559 -12.808 -25.508 1.00 1.42 H new ATOM 0 HG21 VAL A 21 30.573 -15.069 -24.911 1.00 42.33 H new ATOM 0 HG22 VAL A 21 29.635 -14.230 -23.653 1.00 42.33 H new ATOM 0 HG23 VAL A 21 29.555 -16.002 -23.789 1.00 42.33 H new ATOM 311 N ILE A 22 25.008 -13.972 -25.174 1.00 22.23 N ATOM 312 CA ILE A 22 23.852 -13.751 -26.033 1.00 2.23 C ATOM 313 C ILE A 22 23.592 -12.261 -26.231 1.00 11.25 C ATOM 314 O ILE A 22 23.703 -11.471 -25.294 1.00 71.43 O ATOM 315 CB ILE A 22 22.586 -14.408 -25.454 1.00 43.10 C ATOM 316 CG1 ILE A 22 22.501 -15.873 -25.889 1.00 14.22 C ATOM 317 CG2 ILE A 22 21.344 -13.647 -25.894 1.00 73.20 C ATOM 318 CD1 ILE A 22 23.004 -16.844 -24.844 1.00 75.24 C ATOM 0 H ILE A 22 24.996 -13.439 -24.304 1.00 22.23 H new ATOM 0 HA ILE A 22 24.082 -14.209 -26.995 1.00 2.23 H new ATOM 0 HB ILE A 22 22.643 -14.373 -24.366 1.00 43.10 H new ATOM 0 HG12 ILE A 22 21.465 -16.113 -26.128 1.00 14.22 H new ATOM 0 HG13 ILE A 22 23.078 -16.006 -26.804 1.00 14.22 H new ATOM 0 HG21 ILE A 22 20.458 -14.124 -25.476 1.00 73.20 H new ATOM 0 HG22 ILE A 22 21.403 -12.618 -25.539 1.00 73.20 H new ATOM 0 HG23 ILE A 22 21.280 -13.653 -26.982 1.00 73.20 H new ATOM 0 HD11 ILE A 22 22.914 -17.863 -25.221 1.00 75.24 H new ATOM 0 HD12 ILE A 22 24.050 -16.630 -24.622 1.00 75.24 H new ATOM 0 HD13 ILE A 22 22.412 -16.739 -23.935 1.00 75.24 H new ATOM 330 N ARG A 23 23.242 -11.885 -27.457 1.00 22.13 N ATOM 331 CA ARG A 23 22.965 -10.490 -27.779 1.00 2.21 C ATOM 332 C ARG A 23 21.942 -10.385 -28.906 1.00 24.52 C ATOM 333 O ARG A 23 22.253 -10.648 -30.067 1.00 2.42 O ATOM 334 CB ARG A 23 24.255 -9.771 -28.178 1.00 42.34 C ATOM 335 CG ARG A 23 25.033 -10.480 -29.274 1.00 24.01 C ATOM 336 CD ARG A 23 26.453 -9.947 -29.383 1.00 73.43 C ATOM 337 NE ARG A 23 27.113 -10.393 -30.608 1.00 13.23 N ATOM 338 CZ ARG A 23 27.631 -11.607 -30.763 1.00 71.22 C ATOM 339 NH1 ARG A 23 27.564 -12.491 -29.777 1.00 41.22 N1+ ATOM 340 NH2 ARG A 23 28.215 -11.939 -31.907 1.00 52.22 N ATOM 0 H ARG A 23 23.144 -12.527 -28.244 1.00 22.13 H new ATOM 0 HA ARG A 23 22.551 -10.013 -26.890 1.00 2.21 H new ATOM 0 HB2 ARG A 23 24.011 -8.763 -28.512 1.00 42.34 H new ATOM 0 HB3 ARG A 23 24.892 -9.670 -27.299 1.00 42.34 H new ATOM 0 HG2 ARG A 23 25.060 -11.550 -29.069 1.00 24.01 H new ATOM 0 HG3 ARG A 23 24.521 -10.351 -30.227 1.00 24.01 H new ATOM 0 HD2 ARG A 23 26.434 -8.857 -29.358 1.00 73.43 H new ATOM 0 HD3 ARG A 23 27.031 -10.276 -28.519 1.00 73.43 H new ATOM 0 HE ARG A 23 27.180 -9.737 -31.386 1.00 13.23 H new ATOM 0 HH11 ARG A 23 27.114 -12.240 -28.897 1.00 41.22 H new ATOM 0 HH12 ARG A 23 27.962 -13.422 -29.899 1.00 41.22 H new ATOM 0 HH21 ARG A 23 28.267 -11.262 -32.668 1.00 52.22 H new ATOM 0 HH22 ARG A 23 28.612 -12.871 -32.025 1.00 52.22 H new ATOM 354 N TRP A 24 20.720 -9.999 -28.554 1.00 71.11 N ATOM 355 CA TRP A 24 19.651 -9.859 -29.536 1.00 14.11 C ATOM 356 C TRP A 24 19.166 -8.416 -29.611 1.00 74.11 C ATOM 357 O TRP A 24 18.893 -7.790 -28.586 1.00 40.02 O ATOM 358 CB TRP A 24 18.485 -10.786 -29.184 1.00 23.53 C ATOM 359 CG TRP A 24 17.284 -10.585 -30.057 1.00 21.02 C ATOM 360 CD1 TRP A 24 16.287 -9.668 -29.881 1.00 70.23 C ATOM 361 CD2 TRP A 24 16.952 -11.318 -31.241 1.00 12.13 C ATOM 362 NE1 TRP A 24 15.356 -9.787 -30.884 1.00 1.03 N ATOM 363 CE2 TRP A 24 15.740 -10.790 -31.732 1.00 63.20 C ATOM 364 CE3 TRP A 24 17.560 -12.366 -31.936 1.00 55.20 C ATOM 365 CZ2 TRP A 24 15.129 -11.280 -32.884 1.00 23.31 C ATOM 366 CZ3 TRP A 24 16.952 -12.850 -33.078 1.00 13.34 C ATOM 367 CH2 TRP A 24 15.747 -12.306 -33.544 1.00 42.54 C ATOM 0 H TRP A 24 20.446 -9.778 -27.597 1.00 71.11 H new ATOM 0 HA TRP A 24 20.047 -10.139 -30.512 1.00 14.11 H new ATOM 0 HB2 TRP A 24 18.816 -11.821 -29.266 1.00 23.53 H new ATOM 0 HB3 TRP A 24 18.201 -10.623 -28.144 1.00 23.53 H new ATOM 0 HD1 TRP A 24 16.238 -8.954 -29.072 1.00 70.23 H new ATOM 0 HE1 TRP A 24 14.514 -9.219 -30.981 1.00 1.03 H new ATOM 0 HE3 TRP A 24 18.489 -12.791 -31.587 1.00 55.20 H new ATOM 0 HZ2 TRP A 24 14.199 -10.864 -33.243 1.00 23.31 H new ATOM 0 HZ3 TRP A 24 17.413 -13.662 -33.621 1.00 13.34 H new ATOM 0 HH2 TRP A 24 15.298 -12.705 -34.442 1.00 42.54 H new ATOM 378 N SER A 25 19.060 -7.895 -30.828 1.00 14.13 N ATOM 379 CA SER A 25 18.610 -6.522 -31.036 1.00 42.24 C ATOM 380 C SER A 25 17.583 -6.452 -32.162 1.00 64.44 C ATOM 381 O SER A 25 17.923 -6.596 -33.336 1.00 51.21 O ATOM 382 CB SER A 25 19.801 -5.617 -31.358 1.00 73.05 C ATOM 383 OG SER A 25 19.530 -4.273 -30.998 1.00 65.11 O ATOM 0 H SER A 25 19.279 -8.402 -31.686 1.00 14.13 H new ATOM 0 HA SER A 25 18.138 -6.176 -30.116 1.00 42.24 H new ATOM 0 HB2 SER A 25 20.684 -5.969 -30.825 1.00 73.05 H new ATOM 0 HB3 SER A 25 20.028 -5.673 -32.423 1.00 73.05 H new ATOM 0 HG SER A 25 20.306 -3.714 -31.212 1.00 65.11 H new ATOM 389 N GLU A 26 16.325 -6.229 -31.794 1.00 53.54 N ATOM 390 CA GLU A 26 15.249 -6.140 -32.773 1.00 53.15 C ATOM 391 C GLU A 26 14.249 -5.055 -32.385 1.00 73.25 C ATOM 392 O GLU A 26 14.093 -4.058 -33.089 1.00 53.42 O ATOM 393 CB GLU A 26 14.533 -7.486 -32.900 1.00 25.03 C ATOM 394 CG GLU A 26 13.740 -7.635 -34.188 1.00 61.21 C ATOM 395 CD GLU A 26 14.606 -7.500 -35.425 1.00 62.40 C ATOM 396 OE1 GLU A 26 15.607 -8.238 -35.532 1.00 31.44 O ATOM 397 OE2 GLU A 26 14.284 -6.656 -36.287 1.00 63.14 O1- ATOM 0 H GLU A 26 16.027 -6.107 -30.826 1.00 53.54 H new ATOM 0 HA GLU A 26 15.689 -5.878 -33.735 1.00 53.15 H new ATOM 0 HB2 GLU A 26 15.270 -8.287 -32.842 1.00 25.03 H new ATOM 0 HB3 GLU A 26 13.860 -7.611 -32.052 1.00 25.03 H new ATOM 0 HG2 GLU A 26 13.249 -8.608 -34.197 1.00 61.21 H new ATOM 0 HG3 GLU A 26 12.954 -6.881 -34.215 1.00 61.21 H new ATOM 404 N GLY A 27 13.572 -5.256 -31.259 1.00 44.43 N ATOM 405 CA GLY A 27 12.595 -4.288 -30.796 1.00 31.34 C ATOM 406 C GLY A 27 11.226 -4.903 -30.581 1.00 63.32 C ATOM 407 O GLY A 27 10.205 -4.271 -30.850 1.00 61.55 O ATOM 0 H GLY A 27 13.683 -6.073 -30.658 1.00 44.43 H new ATOM 0 HA2 GLY A 27 12.941 -3.845 -29.862 1.00 31.34 H new ATOM 0 HA3 GLY A 27 12.517 -3.479 -31.523 1.00 31.34 H new ATOM 411 N GLY A 28 11.205 -6.140 -30.096 1.00 21.34 N ATOM 412 CA GLY A 28 9.945 -6.821 -29.856 1.00 62.33 C ATOM 413 C GLY A 28 9.340 -6.463 -28.513 1.00 50.05 C ATOM 414 O GLY A 28 9.698 -5.449 -27.912 1.00 23.31 O ATOM 0 H GLY A 28 12.037 -6.683 -29.865 1.00 21.34 H new ATOM 0 HA2 GLY A 28 9.241 -6.566 -30.648 1.00 62.33 H new ATOM 0 HA3 GLY A 28 10.103 -7.898 -29.905 1.00 62.33 H new ATOM 418 N LYS A 29 8.419 -7.295 -28.041 1.00 15.42 N ATOM 419 CA LYS A 29 7.760 -7.062 -26.760 1.00 45.44 C ATOM 420 C LYS A 29 8.339 -7.968 -25.678 1.00 12.10 C ATOM 421 O LYS A 29 8.322 -7.627 -24.496 1.00 63.53 O ATOM 422 CB LYS A 29 6.254 -7.299 -26.887 1.00 41.32 C ATOM 423 CG LYS A 29 5.616 -6.556 -28.048 1.00 72.44 C ATOM 424 CD LYS A 29 4.148 -6.265 -27.785 1.00 52.45 C ATOM 425 CE LYS A 29 3.348 -7.547 -27.619 1.00 71.52 C ATOM 426 NZ LYS A 29 1.908 -7.348 -27.945 1.00 53.32 N1+ ATOM 0 H LYS A 29 8.111 -8.138 -28.526 1.00 15.42 H new ATOM 0 HA LYS A 29 7.935 -6.025 -26.473 1.00 45.44 H new ATOM 0 HB2 LYS A 29 6.072 -8.367 -27.006 1.00 41.32 H new ATOM 0 HB3 LYS A 29 5.768 -6.994 -25.960 1.00 41.32 H new ATOM 0 HG2 LYS A 29 6.148 -5.620 -28.219 1.00 72.44 H new ATOM 0 HG3 LYS A 29 5.713 -7.149 -28.958 1.00 72.44 H new ATOM 0 HD2 LYS A 29 4.052 -5.656 -26.886 1.00 52.45 H new ATOM 0 HD3 LYS A 29 3.738 -5.683 -28.610 1.00 52.45 H new ATOM 0 HE2 LYS A 29 3.763 -8.320 -28.265 1.00 71.52 H new ATOM 0 HE3 LYS A 29 3.442 -7.904 -26.593 1.00 71.52 H new ATOM 0 HZ1 LYS A 29 1.397 -8.245 -27.820 1.00 53.32 H new ATOM 0 HZ2 LYS A 29 1.505 -6.628 -27.312 1.00 53.32 H new ATOM 0 HZ3 LYS A 29 1.816 -7.032 -28.932 1.00 53.32 H new ATOM 440 N GLU A 30 8.853 -9.123 -26.092 1.00 44.21 N ATOM 441 CA GLU A 30 9.437 -10.077 -25.156 1.00 11.54 C ATOM 442 C GLU A 30 10.403 -11.017 -25.871 1.00 2.32 C ATOM 443 O GLU A 30 10.121 -11.499 -26.968 1.00 51.51 O ATOM 444 CB GLU A 30 8.337 -10.886 -24.464 1.00 14.34 C ATOM 445 CG GLU A 30 7.555 -11.782 -25.410 1.00 21.41 C ATOM 446 CD GLU A 30 6.089 -11.885 -25.036 1.00 54.10 C ATOM 447 OE1 GLU A 30 5.779 -11.823 -23.828 1.00 74.24 O1- ATOM 448 OE2 GLU A 30 5.253 -12.028 -25.952 1.00 2.20 O ATOM 0 H GLU A 30 8.877 -9.420 -27.068 1.00 44.21 H new ATOM 0 HA GLU A 30 9.992 -9.517 -24.404 1.00 11.54 H new ATOM 0 HB2 GLU A 30 8.786 -11.500 -23.683 1.00 14.34 H new ATOM 0 HB3 GLU A 30 7.647 -10.200 -23.973 1.00 14.34 H new ATOM 0 HG2 GLU A 30 7.641 -11.395 -26.425 1.00 21.41 H new ATOM 0 HG3 GLU A 30 7.997 -12.778 -25.410 1.00 21.41 H new ATOM 455 N VAL A 31 11.545 -11.274 -25.241 1.00 1.21 N ATOM 456 CA VAL A 31 12.553 -12.157 -25.815 1.00 20.01 C ATOM 457 C VAL A 31 13.001 -13.208 -24.807 1.00 24.24 C ATOM 458 O VAL A 31 13.321 -12.889 -23.661 1.00 60.13 O ATOM 459 CB VAL A 31 13.784 -11.365 -26.296 1.00 74.23 C ATOM 460 CG1 VAL A 31 14.769 -12.285 -27.000 1.00 21.21 C ATOM 461 CG2 VAL A 31 13.361 -10.224 -27.209 1.00 53.33 C ATOM 0 H VAL A 31 11.795 -10.883 -24.333 1.00 1.21 H new ATOM 0 HA VAL A 31 12.091 -12.651 -26.670 1.00 20.01 H new ATOM 0 HB VAL A 31 14.282 -10.937 -25.426 1.00 74.23 H new ATOM 0 HG11 VAL A 31 15.632 -11.708 -27.333 1.00 21.21 H new ATOM 0 HG12 VAL A 31 15.097 -13.063 -26.311 1.00 21.21 H new ATOM 0 HG13 VAL A 31 14.285 -12.744 -27.862 1.00 21.21 H new ATOM 0 HG21 VAL A 31 14.243 -9.676 -27.539 1.00 53.33 H new ATOM 0 HG22 VAL A 31 12.839 -10.627 -28.077 1.00 53.33 H new ATOM 0 HG23 VAL A 31 12.697 -9.551 -26.666 1.00 53.33 H new ATOM 471 N PHE A 32 13.023 -14.465 -25.240 1.00 63.42 N ATOM 472 CA PHE A 32 13.431 -15.565 -24.375 1.00 64.12 C ATOM 473 C PHE A 32 14.414 -16.485 -25.094 1.00 21.54 C ATOM 474 O PHE A 32 14.427 -16.558 -26.323 1.00 42.43 O ATOM 475 CB PHE A 32 12.208 -16.363 -23.917 1.00 75.51 C ATOM 476 CG PHE A 32 11.246 -15.561 -23.088 1.00 43.43 C ATOM 477 CD1 PHE A 32 10.225 -14.842 -23.690 1.00 62.05 C ATOM 478 CD2 PHE A 32 11.362 -15.524 -21.708 1.00 72.34 C ATOM 479 CE1 PHE A 32 9.338 -14.103 -22.930 1.00 3.23 C ATOM 480 CE2 PHE A 32 10.478 -14.787 -20.943 1.00 32.23 C ATOM 481 CZ PHE A 32 9.465 -14.077 -21.555 1.00 24.12 C ATOM 0 H PHE A 32 12.763 -14.746 -26.185 1.00 63.42 H new ATOM 0 HA PHE A 32 13.928 -15.143 -23.501 1.00 64.12 H new ATOM 0 HB2 PHE A 32 11.687 -16.749 -24.793 1.00 75.51 H new ATOM 0 HB3 PHE A 32 12.542 -17.225 -23.340 1.00 75.51 H new ATOM 0 HD1 PHE A 32 10.121 -14.859 -24.765 1.00 62.05 H new ATOM 0 HD2 PHE A 32 12.153 -16.078 -21.224 1.00 72.34 H new ATOM 0 HE1 PHE A 32 8.547 -13.547 -23.411 1.00 3.23 H new ATOM 0 HE2 PHE A 32 10.580 -14.767 -19.868 1.00 32.23 H new ATOM 0 HZ PHE A 32 8.772 -13.501 -20.959 1.00 24.12 H new ATOM 491 N ILE A 33 15.234 -17.186 -24.319 1.00 13.35 N ATOM 492 CA ILE A 33 16.219 -18.103 -24.880 1.00 22.33 C ATOM 493 C ILE A 33 16.070 -19.500 -24.287 1.00 62.43 C ATOM 494 O ILE A 33 15.793 -19.655 -23.098 1.00 63.03 O ATOM 495 CB ILE A 33 17.655 -17.604 -24.636 1.00 13.21 C ATOM 496 CG1 ILE A 33 18.662 -18.522 -25.333 1.00 10.32 C ATOM 497 CG2 ILE A 33 17.943 -17.527 -23.144 1.00 22.30 C ATOM 498 CD1 ILE A 33 20.104 -18.174 -25.033 1.00 22.31 C ATOM 0 H ILE A 33 15.236 -17.137 -23.300 1.00 13.35 H new ATOM 0 HA ILE A 33 16.035 -18.146 -25.954 1.00 22.33 H new ATOM 0 HB ILE A 33 17.753 -16.603 -25.056 1.00 13.21 H new ATOM 0 HG12 ILE A 33 18.474 -19.552 -25.029 1.00 10.32 H new ATOM 0 HG13 ILE A 33 18.501 -18.473 -26.410 1.00 10.32 H new ATOM 0 HG21 ILE A 33 18.962 -17.173 -22.988 1.00 22.30 H new ATOM 0 HG22 ILE A 33 17.243 -16.837 -22.673 1.00 22.30 H new ATOM 0 HG23 ILE A 33 17.831 -18.516 -22.700 1.00 22.30 H new ATOM 0 HD11 ILE A 33 20.762 -18.865 -25.560 1.00 22.31 H new ATOM 0 HD12 ILE A 33 20.309 -17.155 -25.363 1.00 22.31 H new ATOM 0 HD13 ILE A 33 20.281 -18.251 -23.960 1.00 22.31 H new ATOM 510 N SER A 34 16.259 -20.514 -25.124 1.00 25.03 N ATOM 511 CA SER A 34 16.144 -21.901 -24.684 1.00 60.30 C ATOM 512 C SER A 34 17.066 -22.806 -25.495 1.00 10.42 C ATOM 513 O SER A 34 17.196 -22.652 -26.708 1.00 43.22 O ATOM 514 CB SER A 34 14.696 -22.380 -24.812 1.00 31.12 C ATOM 515 OG SER A 34 14.504 -23.608 -24.131 1.00 65.53 O ATOM 0 H SER A 34 16.492 -20.403 -26.111 1.00 25.03 H new ATOM 0 HA SER A 34 16.444 -21.951 -23.637 1.00 60.30 H new ATOM 0 HB2 SER A 34 14.023 -21.626 -24.405 1.00 31.12 H new ATOM 0 HB3 SER A 34 14.441 -22.500 -25.865 1.00 31.12 H new ATOM 0 HG SER A 34 14.140 -23.433 -23.238 1.00 65.53 H new ATOM 521 N GLY A 35 17.704 -23.753 -24.813 1.00 50.42 N ATOM 522 CA GLY A 35 18.606 -24.669 -25.485 1.00 51.10 C ATOM 523 C GLY A 35 18.641 -26.035 -24.827 1.00 32.54 C ATOM 524 O GLY A 35 17.763 -26.371 -24.032 1.00 42.30 O ATOM 0 H GLY A 35 17.612 -23.902 -23.808 1.00 50.42 H new ATOM 0 HA2 GLY A 35 18.300 -24.778 -26.525 1.00 51.10 H new ATOM 0 HA3 GLY A 35 19.611 -24.246 -25.491 1.00 51.10 H new ATOM 528 N SER A 36 19.657 -26.824 -25.159 1.00 50.42 N ATOM 529 CA SER A 36 19.800 -28.163 -24.598 1.00 60.21 C ATOM 530 C SER A 36 20.233 -28.097 -23.137 1.00 34.32 C ATOM 531 O SER A 36 20.155 -29.087 -22.410 1.00 45.21 O ATOM 532 CB SER A 36 20.816 -28.971 -25.408 1.00 64.21 C ATOM 533 OG SER A 36 22.128 -28.465 -25.231 1.00 43.11 O ATOM 0 H SER A 36 20.393 -26.560 -25.813 1.00 50.42 H new ATOM 0 HA SER A 36 18.830 -28.657 -24.648 1.00 60.21 H new ATOM 0 HB2 SER A 36 20.782 -30.016 -25.101 1.00 64.21 H new ATOM 0 HB3 SER A 36 20.550 -28.940 -26.465 1.00 64.21 H new ATOM 0 HG SER A 36 22.759 -28.999 -25.757 1.00 43.11 H new ATOM 539 N PHE A 37 20.690 -26.923 -22.715 1.00 5.12 N ATOM 540 CA PHE A 37 21.138 -26.727 -21.341 1.00 1.32 C ATOM 541 C PHE A 37 19.975 -26.874 -20.364 1.00 52.10 C ATOM 542 O PHE A 37 20.178 -27.048 -19.163 1.00 24.42 O ATOM 543 CB PHE A 37 21.779 -25.345 -21.183 1.00 52.43 C ATOM 544 CG PHE A 37 20.893 -24.218 -21.633 1.00 52.44 C ATOM 545 CD1 PHE A 37 19.929 -23.697 -20.787 1.00 64.24 C ATOM 546 CD2 PHE A 37 21.025 -23.682 -22.904 1.00 12.31 C ATOM 547 CE1 PHE A 37 19.112 -22.660 -21.197 1.00 64.25 C ATOM 548 CE2 PHE A 37 20.211 -22.645 -23.320 1.00 24.25 C ATOM 549 CZ PHE A 37 19.253 -22.134 -22.466 1.00 63.21 C ATOM 0 H PHE A 37 20.760 -26.093 -23.304 1.00 5.12 H new ATOM 0 HA PHE A 37 21.880 -27.493 -21.114 1.00 1.32 H new ATOM 0 HB2 PHE A 37 22.043 -25.193 -20.136 1.00 52.43 H new ATOM 0 HB3 PHE A 37 22.707 -25.317 -21.753 1.00 52.43 H new ATOM 0 HD1 PHE A 37 19.814 -24.106 -19.794 1.00 64.24 H new ATOM 0 HD2 PHE A 37 21.771 -24.078 -23.576 1.00 12.31 H new ATOM 0 HE1 PHE A 37 18.365 -22.262 -20.526 1.00 64.25 H new ATOM 0 HE2 PHE A 37 20.324 -22.234 -24.313 1.00 24.25 H new ATOM 0 HZ PHE A 37 18.616 -21.325 -22.790 1.00 63.21 H new ATOM 559 N ASN A 38 18.756 -26.802 -20.889 1.00 73.11 N ATOM 560 CA ASN A 38 17.560 -26.927 -20.064 1.00 10.42 C ATOM 561 C ASN A 38 16.589 -27.939 -20.664 1.00 21.43 C ATOM 562 O ASN A 38 15.431 -28.021 -20.255 1.00 31.21 O ATOM 563 CB ASN A 38 16.872 -25.568 -19.918 1.00 72.03 C ATOM 564 CG ASN A 38 15.982 -25.240 -21.101 1.00 64.24 C ATOM 565 OD1 ASN A 38 14.785 -25.525 -21.089 1.00 35.42 O ATOM 566 ND2 ASN A 38 16.566 -24.638 -22.131 1.00 44.21 N ATOM 0 H ASN A 38 18.571 -26.658 -21.882 1.00 73.11 H new ATOM 0 HA ASN A 38 17.863 -27.281 -19.079 1.00 10.42 H new ATOM 0 HB2 ASN A 38 16.276 -25.562 -19.006 1.00 72.03 H new ATOM 0 HB3 ASN A 38 17.628 -24.791 -19.809 1.00 72.03 H new ATOM 0 HD21 ASN A 38 16.018 -24.393 -22.956 1.00 44.21 H new ATOM 0 HD22 ASN A 38 17.562 -24.421 -22.097 1.00 44.21 H new ATOM 573 N ASN A 39 17.069 -28.709 -21.635 1.00 32.24 N ATOM 574 CA ASN A 39 16.244 -29.716 -22.292 1.00 20.50 C ATOM 575 C ASN A 39 15.075 -29.066 -23.028 1.00 23.03 C ATOM 576 O ASN A 39 14.065 -29.713 -23.303 1.00 14.24 O ATOM 577 CB ASN A 39 15.719 -30.722 -21.265 1.00 75.11 C ATOM 578 CG ASN A 39 15.457 -32.086 -21.875 1.00 4.44 C ATOM 579 OD1 ASN A 39 15.721 -32.312 -23.057 1.00 63.34 O ATOM 580 ND2 ASN A 39 14.935 -33.003 -21.069 1.00 64.12 N ATOM 0 H ASN A 39 18.026 -28.655 -21.984 1.00 32.24 H new ATOM 0 HA ASN A 39 16.863 -30.239 -23.021 1.00 20.50 H new ATOM 0 HB2 ASN A 39 16.442 -30.822 -20.455 1.00 75.11 H new ATOM 0 HB3 ASN A 39 14.798 -30.341 -20.825 1.00 75.11 H new ATOM 0 HD21 ASN A 39 14.737 -33.939 -21.422 1.00 64.12 H new ATOM 0 HD22 ASN A 39 14.732 -32.771 -20.097 1.00 64.12 H new ATOM 587 N TRP A 40 15.222 -27.785 -23.343 1.00 1.42 N ATOM 588 CA TRP A 40 14.179 -27.048 -24.048 1.00 70.44 C ATOM 589 C TRP A 40 12.832 -27.213 -23.355 1.00 14.41 C ATOM 590 O TRP A 40 11.795 -27.325 -24.009 1.00 75.11 O ATOM 591 CB TRP A 40 14.082 -27.523 -25.499 1.00 13.40 C ATOM 592 CG TRP A 40 15.403 -27.545 -26.207 1.00 42.11 C ATOM 593 CD1 TRP A 40 16.410 -28.451 -26.034 1.00 21.54 C ATOM 594 CD2 TRP A 40 15.860 -26.619 -27.197 1.00 5.34 C ATOM 595 NE1 TRP A 40 17.465 -28.144 -26.857 1.00 63.33 N ATOM 596 CE2 TRP A 40 17.153 -27.024 -27.582 1.00 3.45 C ATOM 597 CE3 TRP A 40 15.303 -25.487 -27.799 1.00 11.54 C ATOM 598 CZ2 TRP A 40 17.894 -26.338 -28.539 1.00 62.33 C ATOM 599 CZ3 TRP A 40 16.040 -24.806 -28.748 1.00 53.04 C ATOM 600 CH2 TRP A 40 17.324 -25.233 -29.112 1.00 62.54 C ATOM 0 H TRP A 40 16.052 -27.235 -23.122 1.00 1.42 H new ATOM 0 HA TRP A 40 14.445 -25.991 -24.036 1.00 70.44 H new ATOM 0 HB2 TRP A 40 13.651 -28.524 -25.518 1.00 13.40 H new ATOM 0 HB3 TRP A 40 13.398 -26.871 -26.042 1.00 13.40 H new ATOM 0 HD1 TRP A 40 16.381 -29.286 -25.350 1.00 21.54 H new ATOM 0 HE1 TRP A 40 18.340 -28.665 -26.919 1.00 63.33 H new ATOM 0 HE3 TRP A 40 14.313 -25.151 -27.527 1.00 11.54 H new ATOM 0 HZ2 TRP A 40 18.884 -26.666 -28.820 1.00 62.33 H new ATOM 0 HZ3 TRP A 40 15.619 -23.929 -29.218 1.00 53.04 H new ATOM 0 HH2 TRP A 40 17.874 -24.680 -29.859 1.00 62.54 H new ATOM 611 N SER A 41 12.853 -27.227 -22.026 1.00 25.55 N ATOM 612 CA SER A 41 11.632 -27.383 -21.243 1.00 24.31 C ATOM 613 C SER A 41 11.317 -26.106 -20.469 1.00 73.12 C ATOM 614 O SER A 41 10.488 -26.107 -19.559 1.00 72.53 O ATOM 615 CB SER A 41 11.768 -28.560 -20.276 1.00 23.43 C ATOM 616 OG SER A 41 10.555 -28.789 -19.579 1.00 55.35 O ATOM 0 H SER A 41 13.702 -27.132 -21.469 1.00 25.55 H new ATOM 0 HA SER A 41 10.810 -27.582 -21.931 1.00 24.31 H new ATOM 0 HB2 SER A 41 12.050 -29.457 -20.827 1.00 23.43 H new ATOM 0 HB3 SER A 41 12.568 -28.359 -19.564 1.00 23.43 H new ATOM 0 HG SER A 41 10.112 -27.933 -19.404 1.00 55.35 H new ATOM 622 N THR A 42 11.985 -25.017 -20.838 1.00 74.23 N ATOM 623 CA THR A 42 11.779 -23.735 -20.178 1.00 14.13 C ATOM 624 C THR A 42 12.398 -22.598 -20.982 1.00 20.24 C ATOM 625 O THR A 42 13.414 -22.779 -21.653 1.00 53.41 O ATOM 626 CB THR A 42 12.377 -23.729 -18.758 1.00 54.43 C ATOM 627 OG1 THR A 42 12.131 -22.468 -18.128 1.00 52.32 O ATOM 628 CG2 THR A 42 13.874 -23.997 -18.801 1.00 23.45 C ATOM 0 H THR A 42 12.673 -24.998 -21.591 1.00 74.23 H new ATOM 0 HA THR A 42 10.702 -23.585 -20.110 1.00 14.13 H new ATOM 0 HB THR A 42 11.898 -24.521 -18.182 1.00 54.43 H new ATOM 0 HG1 THR A 42 12.513 -22.473 -17.225 1.00 52.32 H new ATOM 0 HG21 THR A 42 14.275 -23.988 -17.787 1.00 23.45 H new ATOM 0 HG22 THR A 42 14.056 -24.971 -19.255 1.00 23.45 H new ATOM 0 HG23 THR A 42 14.365 -23.224 -19.392 1.00 23.45 H new ATOM 636 N LYS A 43 11.780 -21.423 -20.910 1.00 1.11 N ATOM 637 CA LYS A 43 12.271 -20.254 -21.630 1.00 64.11 C ATOM 638 C LYS A 43 12.972 -19.286 -20.682 1.00 3.12 C ATOM 639 O LYS A 43 12.357 -18.756 -19.756 1.00 72.24 O ATOM 640 CB LYS A 43 11.115 -19.544 -22.339 1.00 65.14 C ATOM 641 CG LYS A 43 11.213 -19.588 -23.853 1.00 42.20 C ATOM 642 CD LYS A 43 9.917 -19.138 -24.509 1.00 2.13 C ATOM 643 CE LYS A 43 9.036 -20.324 -24.874 1.00 63.12 C ATOM 644 NZ LYS A 43 8.964 -21.322 -23.771 1.00 4.54 N1+ ATOM 0 H LYS A 43 10.938 -21.256 -20.360 1.00 1.11 H new ATOM 0 HA LYS A 43 12.992 -20.592 -22.374 1.00 64.11 H new ATOM 0 HB2 LYS A 43 10.175 -20.001 -22.031 1.00 65.14 H new ATOM 0 HB3 LYS A 43 11.085 -18.504 -22.015 1.00 65.14 H new ATOM 0 HG2 LYS A 43 12.031 -18.948 -24.184 1.00 42.20 H new ATOM 0 HG3 LYS A 43 11.451 -20.602 -24.174 1.00 42.20 H new ATOM 0 HD2 LYS A 43 9.376 -18.476 -23.833 1.00 2.13 H new ATOM 0 HD3 LYS A 43 10.143 -18.561 -25.406 1.00 2.13 H new ATOM 0 HE2 LYS A 43 8.032 -19.971 -25.111 1.00 63.12 H new ATOM 0 HE3 LYS A 43 9.426 -20.803 -25.772 1.00 63.12 H new ATOM 0 HZ1 LYS A 43 8.289 -22.071 -24.024 1.00 4.54 H new ATOM 0 HZ2 LYS A 43 9.904 -21.740 -23.619 1.00 4.54 H new ATOM 0 HZ3 LYS A 43 8.648 -20.853 -22.898 1.00 4.54 H new ATOM 658 N ILE A 44 14.259 -19.059 -20.920 1.00 22.14 N ATOM 659 CA ILE A 44 15.042 -18.153 -20.089 1.00 54.22 C ATOM 660 C ILE A 44 14.824 -16.702 -20.502 1.00 22.01 C ATOM 661 O ILE A 44 14.880 -16.351 -21.681 1.00 31.33 O ATOM 662 CB ILE A 44 16.545 -18.477 -20.164 1.00 4.25 C ATOM 663 CG1 ILE A 44 16.885 -19.645 -19.236 1.00 44.15 C ATOM 664 CG2 ILE A 44 17.370 -17.251 -19.803 1.00 14.54 C ATOM 665 CD1 ILE A 44 16.282 -20.962 -19.676 1.00 62.32 C ATOM 0 H ILE A 44 14.782 -19.490 -21.682 1.00 22.14 H new ATOM 0 HA ILE A 44 14.701 -18.291 -19.063 1.00 54.22 H new ATOM 0 HB ILE A 44 16.788 -18.767 -21.186 1.00 4.25 H new ATOM 0 HG12 ILE A 44 17.968 -19.751 -19.181 1.00 44.15 H new ATOM 0 HG13 ILE A 44 16.536 -19.413 -18.230 1.00 44.15 H new ATOM 0 HG21 ILE A 44 18.430 -17.496 -19.861 1.00 14.54 H new ATOM 0 HG22 ILE A 44 17.146 -16.443 -20.500 1.00 14.54 H new ATOM 0 HG23 ILE A 44 17.126 -16.934 -18.789 1.00 14.54 H new ATOM 0 HD11 ILE A 44 16.564 -21.745 -18.972 1.00 62.32 H new ATOM 0 HD12 ILE A 44 15.196 -20.874 -19.704 1.00 62.32 H new ATOM 0 HD13 ILE A 44 16.651 -21.217 -20.669 1.00 62.32 H new ATOM 677 N PRO A 45 14.572 -15.835 -19.510 1.00 72.14 N ATOM 678 CA PRO A 45 14.343 -14.407 -19.747 1.00 74.30 C ATOM 679 C PRO A 45 15.610 -13.682 -20.188 1.00 3.41 C ATOM 680 O PRO A 45 16.695 -13.930 -19.662 1.00 31.12 O ATOM 681 CB PRO A 45 13.882 -13.891 -18.381 1.00 2.44 C ATOM 682 CG PRO A 45 14.468 -14.845 -17.398 1.00 44.21 C ATOM 683 CD PRO A 45 14.490 -16.183 -18.082 1.00 20.33 C ATOM 0 HA PRO A 45 13.624 -14.237 -20.548 1.00 74.30 H new ATOM 0 HB2 PRO A 45 14.232 -12.874 -18.203 1.00 2.44 H new ATOM 0 HB3 PRO A 45 12.794 -13.870 -18.312 1.00 2.44 H new ATOM 0 HG2 PRO A 45 15.473 -14.538 -17.108 1.00 44.21 H new ATOM 0 HG3 PRO A 45 13.871 -14.882 -16.487 1.00 44.21 H new ATOM 0 HD2 PRO A 45 15.343 -16.782 -17.765 1.00 20.33 H new ATOM 0 HD3 PRO A 45 13.594 -16.762 -17.860 1.00 20.33 H new ATOM 691 N LEU A 46 15.465 -12.786 -21.158 1.00 64.14 N ATOM 692 CA LEU A 46 16.599 -12.025 -21.671 1.00 65.52 C ATOM 693 C LEU A 46 16.676 -10.651 -21.012 1.00 32.13 C ATOM 694 O LEU A 46 15.851 -9.777 -21.278 1.00 65.14 O ATOM 695 CB LEU A 46 16.489 -11.868 -23.189 1.00 61.33 C ATOM 696 CG LEU A 46 17.515 -12.639 -24.020 1.00 32.01 C ATOM 697 CD1 LEU A 46 17.125 -14.104 -24.126 1.00 34.30 C ATOM 698 CD2 LEU A 46 17.654 -12.020 -25.404 1.00 72.32 C ATOM 0 H LEU A 46 14.574 -12.569 -21.605 1.00 64.14 H new ATOM 0 HA LEU A 46 17.510 -12.574 -21.433 1.00 65.52 H new ATOM 0 HB2 LEU A 46 15.492 -12.184 -23.495 1.00 61.33 H new ATOM 0 HB3 LEU A 46 16.577 -10.809 -23.432 1.00 61.33 H new ATOM 0 HG LEU A 46 18.480 -12.578 -23.518 1.00 32.01 H new ATOM 0 HD11 LEU A 46 17.867 -14.636 -24.721 1.00 34.30 H new ATOM 0 HD12 LEU A 46 17.078 -14.541 -23.129 1.00 34.30 H new ATOM 0 HD13 LEU A 46 16.149 -14.187 -24.605 1.00 34.30 H new ATOM 0 HD21 LEU A 46 18.388 -12.581 -25.982 1.00 72.32 H new ATOM 0 HD22 LEU A 46 16.691 -12.050 -25.914 1.00 72.32 H new ATOM 0 HD23 LEU A 46 17.982 -10.985 -25.308 1.00 72.32 H new ATOM 710 N ILE A 47 17.672 -10.470 -20.152 1.00 14.12 N ATOM 711 CA ILE A 47 17.859 -9.201 -19.456 1.00 74.30 C ATOM 712 C ILE A 47 17.868 -8.033 -20.438 1.00 14.44 C ATOM 713 O ILE A 47 18.855 -7.802 -21.135 1.00 31.41 O ATOM 714 CB ILE A 47 19.170 -9.190 -18.649 1.00 0.44 C ATOM 715 CG1 ILE A 47 19.189 -10.347 -17.648 1.00 30.24 C ATOM 716 CG2 ILE A 47 19.339 -7.859 -17.933 1.00 33.01 C ATOM 717 CD1 ILE A 47 18.035 -10.318 -16.671 1.00 44.14 C ATOM 0 H ILE A 47 18.362 -11.185 -19.920 1.00 14.12 H new ATOM 0 HA ILE A 47 17.020 -9.089 -18.770 1.00 74.30 H new ATOM 0 HB ILE A 47 20.005 -9.318 -19.338 1.00 0.44 H new ATOM 0 HG12 ILE A 47 19.169 -11.290 -18.194 1.00 30.24 H new ATOM 0 HG13 ILE A 47 20.126 -10.321 -17.092 1.00 30.24 H new ATOM 0 HG21 ILE A 47 20.270 -7.866 -17.367 1.00 33.01 H new ATOM 0 HG22 ILE A 47 19.366 -7.053 -18.666 1.00 33.01 H new ATOM 0 HG23 ILE A 47 18.502 -7.703 -17.253 1.00 33.01 H new ATOM 0 HD11 ILE A 47 18.112 -11.167 -15.992 1.00 44.14 H new ATOM 0 HD12 ILE A 47 18.066 -9.391 -16.099 1.00 44.14 H new ATOM 0 HD13 ILE A 47 17.094 -10.375 -17.218 1.00 44.14 H new ATOM 729 N LYS A 48 16.762 -7.298 -20.483 1.00 15.21 N ATOM 730 CA LYS A 48 16.642 -6.151 -21.375 1.00 3.13 C ATOM 731 C LYS A 48 17.597 -5.037 -20.959 1.00 43.44 C ATOM 732 O LYS A 48 17.521 -4.526 -19.842 1.00 42.12 O ATOM 733 CB LYS A 48 15.203 -5.630 -21.377 1.00 15.03 C ATOM 734 CG LYS A 48 14.793 -4.981 -22.689 1.00 21.42 C ATOM 735 CD LYS A 48 13.282 -4.935 -22.840 1.00 24.00 C ATOM 736 CE LYS A 48 12.868 -4.101 -24.043 1.00 64.10 C ATOM 737 NZ LYS A 48 12.645 -2.675 -23.677 1.00 1.32 N1+ ATOM 0 H LYS A 48 15.936 -7.476 -19.912 1.00 15.21 H new ATOM 0 HA LYS A 48 16.906 -6.475 -22.382 1.00 3.13 H new ATOM 0 HB2 LYS A 48 14.526 -6.457 -21.163 1.00 15.03 H new ATOM 0 HB3 LYS A 48 15.086 -4.906 -20.571 1.00 15.03 H new ATOM 0 HG2 LYS A 48 15.195 -3.969 -22.737 1.00 21.42 H new ATOM 0 HG3 LYS A 48 15.226 -5.536 -23.521 1.00 21.42 H new ATOM 0 HD2 LYS A 48 12.895 -5.948 -22.948 1.00 24.00 H new ATOM 0 HD3 LYS A 48 12.837 -4.518 -21.936 1.00 24.00 H new ATOM 0 HE2 LYS A 48 13.639 -4.163 -24.811 1.00 64.10 H new ATOM 0 HE3 LYS A 48 11.955 -4.513 -24.474 1.00 64.10 H new ATOM 0 HZ1 LYS A 48 12.364 -2.139 -24.523 1.00 1.32 H new ATOM 0 HZ2 LYS A 48 11.892 -2.614 -22.963 1.00 1.32 H new ATOM 0 HZ3 LYS A 48 13.523 -2.275 -23.289 1.00 1.32 H new ATOM 751 N SER A 49 18.494 -4.664 -21.866 1.00 43.44 N ATOM 752 CA SER A 49 19.466 -3.611 -21.593 1.00 72.14 C ATOM 753 C SER A 49 19.175 -2.372 -22.434 1.00 60.13 C ATOM 754 O SER A 49 18.512 -2.452 -23.469 1.00 5.42 O ATOM 755 CB SER A 49 20.884 -4.111 -21.873 1.00 41.12 C ATOM 756 OG SER A 49 21.849 -3.277 -21.259 1.00 21.32 O ATOM 0 H SER A 49 18.568 -5.075 -22.796 1.00 43.44 H new ATOM 0 HA SER A 49 19.386 -3.341 -20.540 1.00 72.14 H new ATOM 0 HB2 SER A 49 20.993 -5.131 -21.504 1.00 41.12 H new ATOM 0 HB3 SER A 49 21.057 -4.141 -22.949 1.00 41.12 H new ATOM 0 HG SER A 49 22.747 -3.619 -21.452 1.00 21.32 H new ATOM 762 N HIS A 50 19.676 -1.227 -21.982 1.00 41.43 N ATOM 763 CA HIS A 50 19.472 0.030 -22.693 1.00 30.33 C ATOM 764 C HIS A 50 19.972 -0.071 -24.131 1.00 5.15 C ATOM 765 O HIS A 50 19.513 0.657 -25.010 1.00 32.14 O ATOM 766 CB HIS A 50 20.189 1.171 -21.971 1.00 41.03 C ATOM 767 CG HIS A 50 21.672 0.987 -21.883 1.00 40.43 C ATOM 768 ND1 HIS A 50 22.640 1.141 -22.816 1.00 11.43 N flip ATOM 769 CD2 HIS A 50 22.315 0.594 -20.728 1.00 70.45 C flip ATOM 770 CE1 HIS A 50 23.837 0.844 -22.214 1.00 0.03 C flip ATOM 771 NE2 HIS A 50 23.614 0.517 -20.954 1.00 34.54 N flip ATOM 0 H HIS A 50 20.226 -1.144 -21.127 1.00 41.43 H new ATOM 0 HA HIS A 50 18.402 0.238 -22.713 1.00 30.33 H new ATOM 0 HB2 HIS A 50 19.978 2.107 -22.488 1.00 41.03 H new ATOM 0 HB3 HIS A 50 19.783 1.265 -20.964 1.00 41.03 H new ATOM 0 HD2 HIS A 50 21.832 0.382 -19.786 1.00 70.45 H new ATOM 0 HE1 HIS A 50 24.805 0.873 -22.693 1.00 0.03 H new ATOM 0 HE2 HIS A 50 24.324 0.250 -20.272 1.00 34.54 H new ATOM 779 N ASN A 51 20.916 -0.977 -24.362 1.00 15.24 N ATOM 780 CA ASN A 51 21.480 -1.173 -25.692 1.00 64.25 C ATOM 781 C ASN A 51 20.692 -2.225 -26.467 1.00 63.54 C ATOM 782 O ASN A 51 20.221 -1.971 -27.576 1.00 35.54 O ATOM 783 CB ASN A 51 22.948 -1.591 -25.591 1.00 63.32 C ATOM 784 CG ASN A 51 23.893 -0.498 -26.055 1.00 44.03 C ATOM 785 OD1 ASN A 51 24.912 -0.882 -26.815 1.00 43.11 O flip ATOM 786 ND2 ASN A 51 23.708 0.675 -25.733 1.00 71.10 N flip ATOM 0 H ASN A 51 21.307 -1.588 -23.645 1.00 15.24 H new ATOM 0 HA ASN A 51 21.416 -0.227 -26.229 1.00 64.25 H new ATOM 0 HB2 ASN A 51 23.178 -1.853 -24.558 1.00 63.32 H new ATOM 0 HB3 ASN A 51 23.110 -2.487 -26.191 1.00 63.32 H new ATOM 0 HD21 ASN A 51 22.911 0.923 -25.147 1.00 71.10 H new ATOM 0 HD22 ASN A 51 24.352 1.399 -26.052 1.00 71.10 H new ATOM 793 N ASP A 52 20.553 -3.406 -25.876 1.00 2.33 N ATOM 794 CA ASP A 52 19.821 -4.497 -26.510 1.00 51.51 C ATOM 795 C ASP A 52 19.532 -5.611 -25.508 1.00 40.41 C ATOM 796 O ASP A 52 19.795 -5.470 -24.314 1.00 50.31 O ATOM 797 CB ASP A 52 20.615 -5.052 -27.693 1.00 20.42 C ATOM 798 CG ASP A 52 21.974 -5.582 -27.282 1.00 4.32 C ATOM 799 OD1 ASP A 52 22.277 -5.562 -26.070 1.00 62.31 O ATOM 800 OD2 ASP A 52 22.734 -6.019 -28.171 1.00 62.02 O1- ATOM 0 H ASP A 52 20.937 -3.633 -24.959 1.00 2.33 H new ATOM 0 HA ASP A 52 18.872 -4.103 -26.873 1.00 51.51 H new ATOM 0 HB2 ASP A 52 20.045 -5.851 -28.166 1.00 20.42 H new ATOM 0 HB3 ASP A 52 20.745 -4.268 -28.439 1.00 20.42 H new ATOM 805 N PHE A 53 18.989 -6.718 -26.003 1.00 23.22 N ATOM 806 CA PHE A 53 18.662 -7.856 -25.152 1.00 74.32 C ATOM 807 C PHE A 53 19.872 -8.766 -24.970 1.00 74.52 C ATOM 808 O PHE A 53 20.657 -8.967 -25.898 1.00 63.11 O ATOM 809 CB PHE A 53 17.498 -8.650 -25.750 1.00 20.02 C ATOM 810 CG PHE A 53 16.252 -7.833 -25.944 1.00 51.11 C ATOM 811 CD1 PHE A 53 16.120 -7.001 -27.045 1.00 41.23 C ATOM 812 CD2 PHE A 53 15.215 -7.897 -25.029 1.00 71.15 C ATOM 813 CE1 PHE A 53 14.974 -6.248 -27.226 1.00 25.13 C ATOM 814 CE2 PHE A 53 14.068 -7.146 -25.205 1.00 34.33 C ATOM 815 CZ PHE A 53 13.947 -6.322 -26.306 1.00 23.43 C ATOM 0 H PHE A 53 18.766 -6.851 -26.989 1.00 23.22 H new ATOM 0 HA PHE A 53 18.368 -7.473 -24.175 1.00 74.32 H new ATOM 0 HB2 PHE A 53 17.806 -9.062 -26.711 1.00 20.02 H new ATOM 0 HB3 PHE A 53 17.272 -9.494 -25.099 1.00 20.02 H new ATOM 0 HD1 PHE A 53 16.920 -6.940 -27.768 1.00 41.23 H new ATOM 0 HD2 PHE A 53 15.303 -8.542 -24.167 1.00 71.15 H new ATOM 0 HE1 PHE A 53 14.882 -5.602 -28.087 1.00 25.13 H new ATOM 0 HE2 PHE A 53 13.268 -7.204 -24.482 1.00 34.33 H new ATOM 0 HZ PHE A 53 13.051 -5.736 -26.447 1.00 23.43 H new ATOM 825 N VAL A 54 20.020 -9.313 -23.768 1.00 60.01 N ATOM 826 CA VAL A 54 21.134 -10.202 -23.463 1.00 21.43 C ATOM 827 C VAL A 54 20.726 -11.272 -22.457 1.00 43.31 C ATOM 828 O VAL A 54 20.009 -10.994 -21.497 1.00 73.14 O ATOM 829 CB VAL A 54 22.339 -9.421 -22.905 1.00 12.13 C ATOM 830 CG1 VAL A 54 23.476 -10.370 -22.559 1.00 42.10 C ATOM 831 CG2 VAL A 54 22.798 -8.367 -23.901 1.00 4.03 C ATOM 0 H VAL A 54 19.381 -9.156 -22.989 1.00 60.01 H new ATOM 0 HA VAL A 54 21.422 -10.680 -24.399 1.00 21.43 H new ATOM 0 HB VAL A 54 22.030 -8.914 -21.991 1.00 12.13 H new ATOM 0 HG11 VAL A 54 24.318 -9.801 -22.166 1.00 42.10 H new ATOM 0 HG12 VAL A 54 23.138 -11.083 -21.807 1.00 42.10 H new ATOM 0 HG13 VAL A 54 23.787 -10.907 -23.455 1.00 42.10 H new ATOM 0 HG21 VAL A 54 23.650 -7.825 -23.490 1.00 4.03 H new ATOM 0 HG22 VAL A 54 23.090 -8.850 -24.833 1.00 4.03 H new ATOM 0 HG23 VAL A 54 21.983 -7.669 -24.094 1.00 4.03 H new ATOM 841 N ALA A 55 21.187 -12.497 -22.685 1.00 4.51 N ATOM 842 CA ALA A 55 20.872 -13.610 -21.797 1.00 54.01 C ATOM 843 C ALA A 55 22.102 -14.051 -21.012 1.00 32.03 C ATOM 844 O ALA A 55 23.224 -13.999 -21.517 1.00 42.01 O ATOM 845 CB ALA A 55 20.304 -14.776 -22.593 1.00 40.42 C ATOM 0 H ALA A 55 21.780 -12.744 -23.477 1.00 4.51 H new ATOM 0 HA ALA A 55 20.121 -13.272 -21.083 1.00 54.01 H new ATOM 0 HB1 ALA A 55 20.073 -15.600 -21.917 1.00 40.42 H new ATOM 0 HB2 ALA A 55 19.394 -14.459 -23.103 1.00 40.42 H new ATOM 0 HB3 ALA A 55 21.037 -15.105 -23.330 1.00 40.42 H new ATOM 851 N ILE A 56 21.885 -14.484 -19.775 1.00 34.40 N ATOM 852 CA ILE A 56 22.977 -14.935 -18.921 1.00 21.40 C ATOM 853 C ILE A 56 22.588 -16.191 -18.148 1.00 72.24 C ATOM 854 O ILE A 56 21.615 -16.192 -17.393 1.00 72.43 O ATOM 855 CB ILE A 56 23.399 -13.841 -17.922 1.00 50.33 C ATOM 856 CG1 ILE A 56 23.719 -12.541 -18.662 1.00 71.52 C ATOM 857 CG2 ILE A 56 24.597 -14.302 -17.107 1.00 41.55 C ATOM 858 CD1 ILE A 56 24.911 -12.650 -19.586 1.00 74.44 C ATOM 0 H ILE A 56 20.963 -14.532 -19.342 1.00 34.40 H new ATOM 0 HA ILE A 56 23.818 -15.161 -19.577 1.00 21.40 H new ATOM 0 HB ILE A 56 22.571 -13.654 -17.239 1.00 50.33 H new ATOM 0 HG12 ILE A 56 22.847 -12.238 -19.241 1.00 71.52 H new ATOM 0 HG13 ILE A 56 23.906 -11.753 -17.932 1.00 71.52 H new ATOM 0 HG21 ILE A 56 24.883 -13.518 -16.406 1.00 41.55 H new ATOM 0 HG22 ILE A 56 24.336 -15.205 -16.555 1.00 41.55 H new ATOM 0 HG23 ILE A 56 25.432 -14.514 -17.775 1.00 41.55 H new ATOM 0 HD11 ILE A 56 25.080 -11.692 -20.077 1.00 74.44 H new ATOM 0 HD12 ILE A 56 25.795 -12.923 -19.009 1.00 74.44 H new ATOM 0 HD13 ILE A 56 24.719 -13.415 -20.339 1.00 74.44 H new ATOM 870 N LEU A 57 23.355 -17.258 -18.340 1.00 23.15 N ATOM 871 CA LEU A 57 23.093 -18.521 -17.660 1.00 22.42 C ATOM 872 C LEU A 57 24.375 -19.333 -17.505 1.00 52.54 C ATOM 873 O LEU A 57 25.183 -19.417 -18.429 1.00 60.35 O ATOM 874 CB LEU A 57 22.052 -19.333 -18.433 1.00 74.01 C ATOM 875 CG LEU A 57 22.009 -19.104 -19.944 1.00 65.41 C ATOM 876 CD1 LEU A 57 21.522 -20.354 -20.660 1.00 60.15 C ATOM 877 CD2 LEU A 57 21.120 -17.914 -20.278 1.00 20.50 C ATOM 0 H LEU A 57 24.164 -17.274 -18.961 1.00 23.15 H new ATOM 0 HA LEU A 57 22.705 -18.296 -16.666 1.00 22.42 H new ATOM 0 HB2 LEU A 57 22.238 -20.392 -18.251 1.00 74.01 H new ATOM 0 HB3 LEU A 57 21.067 -19.108 -18.023 1.00 74.01 H new ATOM 0 HG LEU A 57 23.020 -18.885 -20.288 1.00 65.41 H new ATOM 0 HD11 LEU A 57 21.498 -20.172 -21.734 1.00 60.15 H new ATOM 0 HD12 LEU A 57 22.198 -21.182 -20.447 1.00 60.15 H new ATOM 0 HD13 LEU A 57 20.520 -20.605 -20.312 1.00 60.15 H new ATOM 0 HD21 LEU A 57 21.101 -17.766 -21.358 1.00 20.50 H new ATOM 0 HD22 LEU A 57 20.108 -18.104 -19.920 1.00 20.50 H new ATOM 0 HD23 LEU A 57 21.513 -17.019 -19.796 1.00 20.50 H new ATOM 889 N ASP A 58 24.553 -19.930 -16.331 1.00 34.22 N ATOM 890 CA ASP A 58 25.735 -20.737 -16.055 1.00 0.11 C ATOM 891 C ASP A 58 25.666 -22.070 -16.795 1.00 63.43 C ATOM 892 O ASP A 58 24.928 -22.974 -16.401 1.00 41.24 O ATOM 893 CB ASP A 58 25.873 -20.981 -14.551 1.00 24.31 C ATOM 894 CG ASP A 58 25.565 -19.742 -13.734 1.00 42.33 C ATOM 895 OD1 ASP A 58 26.428 -18.842 -13.673 1.00 22.34 O1- ATOM 896 OD2 ASP A 58 24.461 -19.674 -13.153 1.00 2.41 O ATOM 0 H ASP A 58 23.893 -19.870 -15.555 1.00 34.22 H new ATOM 0 HA ASP A 58 26.609 -20.190 -16.408 1.00 0.11 H new ATOM 0 HB2 ASP A 58 25.201 -21.786 -14.253 1.00 24.31 H new ATOM 0 HB3 ASP A 58 26.887 -21.315 -14.331 1.00 24.31 H new ATOM 901 N LEU A 59 26.441 -22.185 -17.869 1.00 33.22 N ATOM 902 CA LEU A 59 26.468 -23.407 -18.664 1.00 60.20 C ATOM 903 C LEU A 59 27.826 -24.094 -18.562 1.00 1.03 C ATOM 904 O LEU A 59 28.862 -23.452 -18.382 1.00 70.11 O ATOM 905 CB LEU A 59 26.153 -23.093 -20.129 1.00 32.04 C ATOM 906 CG LEU A 59 24.972 -22.153 -20.374 1.00 60.02 C ATOM 907 CD1 LEU A 59 25.059 -21.537 -21.762 1.00 43.15 C ATOM 908 CD2 LEU A 59 23.655 -22.894 -20.199 1.00 1.32 C ATOM 0 H LEU A 59 27.058 -21.447 -18.208 1.00 33.22 H new ATOM 0 HA LEU A 59 25.709 -24.083 -18.271 1.00 60.20 H new ATOM 0 HB2 LEU A 59 27.041 -22.655 -20.585 1.00 32.04 H new ATOM 0 HB3 LEU A 59 25.958 -24.032 -20.647 1.00 32.04 H new ATOM 0 HG LEU A 59 25.014 -21.349 -19.639 1.00 60.02 H new ATOM 0 HD11 LEU A 59 24.210 -20.871 -21.918 1.00 43.15 H new ATOM 0 HD12 LEU A 59 25.986 -20.971 -21.851 1.00 43.15 H new ATOM 0 HD13 LEU A 59 25.043 -22.327 -22.512 1.00 43.15 H new ATOM 0 HD21 LEU A 59 22.826 -22.209 -20.377 1.00 1.32 H new ATOM 0 HD22 LEU A 59 23.604 -23.718 -20.910 1.00 1.32 H new ATOM 0 HD23 LEU A 59 23.590 -23.286 -19.184 1.00 1.32 H new ATOM 920 N PRO A 60 27.823 -25.430 -18.678 1.00 53.42 N ATOM 921 CA PRO A 60 29.047 -26.233 -18.604 1.00 72.32 C ATOM 922 C PRO A 60 29.949 -26.031 -19.817 1.00 43.23 C ATOM 923 O PRO A 60 29.475 -25.712 -20.906 1.00 43.11 O ATOM 924 CB PRO A 60 28.525 -27.671 -18.559 1.00 45.22 C ATOM 925 CG PRO A 60 27.194 -27.612 -19.224 1.00 34.34 C ATOM 926 CD PRO A 60 26.626 -26.260 -18.893 1.00 31.23 C ATOM 0 HA PRO A 60 29.661 -25.961 -17.746 1.00 72.32 H new ATOM 0 HB2 PRO A 60 29.198 -28.353 -19.079 1.00 45.22 H new ATOM 0 HB3 PRO A 60 28.439 -28.029 -17.533 1.00 45.22 H new ATOM 0 HG2 PRO A 60 27.290 -27.742 -20.302 1.00 34.34 H new ATOM 0 HG3 PRO A 60 26.542 -28.408 -18.864 1.00 34.34 H new ATOM 0 HD2 PRO A 60 26.010 -25.874 -19.705 1.00 31.23 H new ATOM 0 HD3 PRO A 60 25.997 -26.295 -18.004 1.00 31.23 H new ATOM 934 N GLU A 61 31.249 -26.219 -19.620 1.00 34.34 N ATOM 935 CA GLU A 61 32.216 -26.057 -20.700 1.00 51.40 C ATOM 936 C GLU A 61 31.968 -27.074 -21.810 1.00 71.00 C ATOM 937 O GLU A 61 31.937 -28.279 -21.567 1.00 52.22 O ATOM 938 CB GLU A 61 33.642 -26.206 -20.164 1.00 14.52 C ATOM 939 CG GLU A 61 34.699 -26.260 -21.255 1.00 12.24 C ATOM 940 CD GLU A 61 34.913 -27.661 -21.792 1.00 4.13 C ATOM 941 OE1 GLU A 61 34.857 -28.619 -20.993 1.00 14.15 O1- ATOM 942 OE2 GLU A 61 35.136 -27.799 -23.014 1.00 62.21 O ATOM 0 H GLU A 61 31.658 -26.483 -18.724 1.00 34.34 H new ATOM 0 HA GLU A 61 32.095 -25.056 -21.115 1.00 51.40 H new ATOM 0 HB2 GLU A 61 33.860 -25.371 -19.499 1.00 14.52 H new ATOM 0 HB3 GLU A 61 33.703 -27.115 -19.565 1.00 14.52 H new ATOM 0 HG2 GLU A 61 34.405 -25.603 -22.073 1.00 12.24 H new ATOM 0 HG3 GLU A 61 35.641 -25.878 -20.862 1.00 12.24 H new ATOM 949 N GLY A 62 31.792 -26.577 -23.031 1.00 75.14 N ATOM 950 CA GLY A 62 31.548 -27.455 -24.160 1.00 3.44 C ATOM 951 C GLY A 62 30.803 -26.762 -25.284 1.00 3.40 C ATOM 952 O GLY A 62 31.133 -25.635 -25.652 1.00 30.13 O ATOM 0 H GLY A 62 31.814 -25.583 -23.258 1.00 75.14 H new ATOM 0 HA2 GLY A 62 32.500 -27.830 -24.536 1.00 3.44 H new ATOM 0 HA3 GLY A 62 30.974 -28.319 -23.827 1.00 3.44 H new ATOM 956 N GLU A 63 29.796 -27.436 -25.828 1.00 44.04 N ATOM 957 CA GLU A 63 29.004 -26.878 -26.919 1.00 31.31 C ATOM 958 C GLU A 63 27.519 -27.167 -26.716 1.00 34.40 C ATOM 959 O GLU A 63 27.171 -28.274 -26.308 1.00 55.14 O ATOM 960 CB GLU A 63 29.468 -27.448 -28.260 1.00 71.45 C ATOM 961 CG GLU A 63 28.562 -27.083 -29.424 1.00 41.01 C ATOM 962 CD GLU A 63 29.004 -27.713 -30.729 1.00 64.35 C ATOM 963 OE1 GLU A 63 30.178 -27.520 -31.112 1.00 13.32 O ATOM 964 OE2 GLU A 63 28.179 -28.397 -31.368 1.00 63.41 O1- ATOM 0 H GLU A 63 29.509 -28.369 -25.532 1.00 44.04 H new ATOM 0 HA GLU A 63 29.149 -25.798 -26.923 1.00 31.31 H new ATOM 0 HB2 GLU A 63 30.476 -27.089 -28.469 1.00 71.45 H new ATOM 0 HB3 GLU A 63 29.526 -28.534 -28.183 1.00 71.45 H new ATOM 0 HG2 GLU A 63 27.543 -27.399 -29.199 1.00 41.01 H new ATOM 0 HG3 GLU A 63 28.542 -25.999 -29.537 1.00 41.01 H new ATOM 971 N HIS A 64 26.686 -26.178 -27.004 1.00 11.42 N ATOM 972 CA HIS A 64 25.250 -26.338 -26.849 1.00 43.11 C ATOM 973 C HIS A 64 24.526 -25.571 -27.956 1.00 20.11 C ATOM 974 O HIS A 64 25.105 -24.749 -28.666 1.00 22.41 O ATOM 975 CB HIS A 64 24.805 -25.919 -25.447 1.00 0.52 C ATOM 976 CG HIS A 64 25.941 -25.751 -24.466 1.00 30.40 C ATOM 977 ND1 HIS A 64 26.239 -26.692 -23.496 1.00 23.24 N ATOM 978 CD2 HIS A 64 26.847 -24.743 -24.316 1.00 51.01 C ATOM 979 CE1 HIS A 64 27.279 -26.259 -22.800 1.00 5.41 C ATOM 980 NE2 HIS A 64 27.655 -25.051 -23.309 1.00 33.03 N ATOM 0 H HIS A 64 26.978 -25.262 -27.344 1.00 11.42 H new ATOM 0 HA HIS A 64 24.984 -27.390 -26.951 1.00 43.11 H new ATOM 0 HB2 HIS A 64 24.257 -24.979 -25.517 1.00 0.52 H new ATOM 0 HB3 HIS A 64 24.111 -26.665 -25.059 1.00 0.52 H new ATOM 0 HD1 HIS A 64 25.742 -27.570 -23.343 1.00 23.24 H new ATOM 0 HD2 HIS A 64 26.898 -23.846 -24.915 1.00 51.01 H new ATOM 0 HE1 HIS A 64 27.748 -26.773 -21.974 1.00 5.41 H new ATOM 988 N GLN A 65 23.236 -25.861 -28.089 1.00 1.42 N ATOM 989 CA GLN A 65 22.408 -25.215 -29.099 1.00 75.43 C ATOM 990 C GLN A 65 21.198 -24.540 -28.461 1.00 40.13 C ATOM 991 O GLN A 65 20.427 -25.176 -27.742 1.00 52.02 O ATOM 992 CB GLN A 65 21.947 -26.236 -30.141 1.00 73.02 C ATOM 993 CG GLN A 65 22.880 -26.350 -31.336 1.00 71.31 C ATOM 994 CD GLN A 65 22.963 -27.762 -31.879 1.00 43.32 C ATOM 995 OE1 GLN A 65 23.760 -28.602 -31.228 1.00 5.51 O flip ATOM 996 NE2 GLN A 65 22.316 -28.097 -32.872 1.00 53.03 N flip ATOM 0 H GLN A 65 22.742 -26.539 -27.509 1.00 1.42 H new ATOM 0 HA GLN A 65 23.010 -24.451 -29.591 1.00 75.43 H new ATOM 0 HB2 GLN A 65 21.858 -27.213 -29.666 1.00 73.02 H new ATOM 0 HB3 GLN A 65 20.953 -25.961 -30.492 1.00 73.02 H new ATOM 0 HG2 GLN A 65 22.537 -25.681 -32.125 1.00 71.31 H new ATOM 0 HG3 GLN A 65 23.877 -26.017 -31.047 1.00 71.31 H new ATOM 0 HE21 GLN A 65 21.716 -27.419 -33.342 1.00 53.03 H new ATOM 0 HE22 GLN A 65 22.381 -29.052 -33.224 1.00 53.03 H new ATOM 1005 N TYR A 66 21.038 -23.249 -28.730 1.00 4.15 N ATOM 1006 CA TYR A 66 19.922 -22.487 -28.180 1.00 72.34 C ATOM 1007 C TYR A 66 19.064 -21.895 -29.294 1.00 74.34 C ATOM 1008 O TYR A 66 19.370 -22.047 -30.477 1.00 1.32 O ATOM 1009 CB TYR A 66 20.439 -21.369 -27.272 1.00 10.24 C ATOM 1010 CG TYR A 66 21.238 -20.315 -28.005 1.00 32.44 C ATOM 1011 CD1 TYR A 66 22.569 -20.531 -28.340 1.00 40.20 C ATOM 1012 CD2 TYR A 66 20.661 -19.103 -28.364 1.00 2.13 C ATOM 1013 CE1 TYR A 66 23.302 -19.570 -29.009 1.00 2.40 C ATOM 1014 CE2 TYR A 66 21.387 -18.136 -29.034 1.00 71.43 C ATOM 1015 CZ TYR A 66 22.707 -18.374 -29.353 1.00 22.23 C ATOM 1016 OH TYR A 66 23.433 -17.416 -30.021 1.00 12.33 O ATOM 0 H TYR A 66 21.666 -22.708 -29.325 1.00 4.15 H new ATOM 0 HA TYR A 66 19.305 -23.168 -27.593 1.00 72.34 H new ATOM 0 HB2 TYR A 66 19.592 -20.893 -26.778 1.00 10.24 H new ATOM 0 HB3 TYR A 66 21.060 -21.805 -26.490 1.00 10.24 H new ATOM 0 HD1 TYR A 66 23.039 -21.466 -28.073 1.00 40.20 H new ATOM 0 HD2 TYR A 66 19.627 -18.913 -28.115 1.00 2.13 H new ATOM 0 HE1 TYR A 66 24.336 -19.754 -29.261 1.00 2.40 H new ATOM 0 HE2 TYR A 66 20.923 -17.200 -29.306 1.00 71.43 H new ATOM 0 HH TYR A 66 22.866 -16.634 -30.189 1.00 12.33 H new ATOM 1026 N LYS A 67 17.986 -21.221 -28.907 1.00 53.20 N ATOM 1027 CA LYS A 67 17.082 -20.605 -29.871 1.00 62.12 C ATOM 1028 C LYS A 67 16.391 -19.387 -29.267 1.00 21.43 C ATOM 1029 O LYS A 67 16.041 -19.380 -28.086 1.00 63.05 O ATOM 1030 CB LYS A 67 16.035 -21.618 -30.340 1.00 52.15 C ATOM 1031 CG LYS A 67 15.110 -21.081 -31.419 1.00 4.31 C ATOM 1032 CD LYS A 67 15.768 -21.122 -32.787 1.00 75.43 C ATOM 1033 CE LYS A 67 14.847 -20.573 -33.865 1.00 71.15 C ATOM 1034 NZ LYS A 67 13.759 -21.531 -34.206 1.00 33.33 N1+ ATOM 0 H LYS A 67 17.717 -21.088 -27.932 1.00 53.20 H new ATOM 0 HA LYS A 67 17.672 -20.279 -30.728 1.00 62.12 H new ATOM 0 HB2 LYS A 67 16.543 -22.505 -30.718 1.00 52.15 H new ATOM 0 HB3 LYS A 67 15.437 -21.933 -29.485 1.00 52.15 H new ATOM 0 HG2 LYS A 67 14.192 -21.668 -31.438 1.00 4.31 H new ATOM 0 HG3 LYS A 67 14.828 -20.056 -31.180 1.00 4.31 H new ATOM 0 HD2 LYS A 67 16.691 -20.542 -32.766 1.00 75.43 H new ATOM 0 HD3 LYS A 67 16.042 -22.149 -33.029 1.00 75.43 H new ATOM 0 HE2 LYS A 67 14.411 -19.634 -33.526 1.00 71.15 H new ATOM 0 HE3 LYS A 67 15.428 -20.350 -34.760 1.00 71.15 H new ATOM 0 HZ1 LYS A 67 13.026 -21.042 -34.758 1.00 33.33 H new ATOM 0 HZ2 LYS A 67 14.150 -22.314 -34.767 1.00 33.33 H new ATOM 0 HZ3 LYS A 67 13.341 -21.907 -33.331 1.00 33.33 H new ATOM 1048 N PHE A 68 16.198 -18.356 -30.083 1.00 0.13 N ATOM 1049 CA PHE A 68 15.549 -17.132 -29.629 1.00 34.41 C ATOM 1050 C PHE A 68 14.041 -17.202 -29.850 1.00 74.51 C ATOM 1051 O PHE A 68 13.568 -17.853 -30.782 1.00 43.04 O ATOM 1052 CB PHE A 68 16.127 -15.920 -30.362 1.00 21.54 C ATOM 1053 CG PHE A 68 17.490 -15.519 -29.875 1.00 34.32 C ATOM 1054 CD1 PHE A 68 17.747 -15.399 -28.519 1.00 24.44 C ATOM 1055 CD2 PHE A 68 18.513 -15.262 -30.773 1.00 45.22 C ATOM 1056 CE1 PHE A 68 19.000 -15.028 -28.068 1.00 64.40 C ATOM 1057 CE2 PHE A 68 19.769 -14.892 -30.328 1.00 21.32 C ATOM 1058 CZ PHE A 68 20.012 -14.776 -28.973 1.00 60.24 C ATOM 0 H PHE A 68 16.482 -18.344 -31.063 1.00 0.13 H new ATOM 0 HA PHE A 68 15.738 -17.026 -28.561 1.00 34.41 H new ATOM 0 HB2 PHE A 68 16.182 -16.142 -31.428 1.00 21.54 H new ATOM 0 HB3 PHE A 68 15.446 -15.077 -30.246 1.00 21.54 H new ATOM 0 HD1 PHE A 68 16.960 -15.597 -27.807 1.00 24.44 H new ATOM 0 HD2 PHE A 68 18.327 -15.352 -31.833 1.00 45.22 H new ATOM 0 HE1 PHE A 68 19.187 -14.935 -27.008 1.00 64.40 H new ATOM 0 HE2 PHE A 68 20.558 -14.694 -31.038 1.00 21.32 H new ATOM 0 HZ PHE A 68 20.992 -14.489 -28.622 1.00 60.24 H new ATOM 1068 N PHE A 69 13.290 -16.528 -28.985 1.00 64.40 N ATOM 1069 CA PHE A 69 11.836 -16.515 -29.083 1.00 63.41 C ATOM 1070 C PHE A 69 11.292 -15.097 -28.924 1.00 34.32 C ATOM 1071 O PHE A 69 11.092 -14.619 -27.808 1.00 62.44 O ATOM 1072 CB PHE A 69 11.223 -17.430 -28.022 1.00 5.13 C ATOM 1073 CG PHE A 69 9.720 -17.441 -28.034 1.00 23.30 C ATOM 1074 CD1 PHE A 69 9.029 -18.342 -28.828 1.00 14.24 C ATOM 1075 CD2 PHE A 69 9.001 -16.551 -27.253 1.00 42.11 C ATOM 1076 CE1 PHE A 69 7.646 -18.355 -28.842 1.00 13.20 C ATOM 1077 CE2 PHE A 69 7.619 -16.560 -27.263 1.00 52.12 C ATOM 1078 CZ PHE A 69 6.941 -17.462 -28.060 1.00 3.22 C ATOM 0 H PHE A 69 13.665 -15.984 -28.208 1.00 64.40 H new ATOM 0 HA PHE A 69 11.561 -16.882 -30.072 1.00 63.41 H new ATOM 0 HB2 PHE A 69 11.587 -18.446 -28.176 1.00 5.13 H new ATOM 0 HB3 PHE A 69 11.568 -17.113 -27.038 1.00 5.13 H new ATOM 0 HD1 PHE A 69 9.576 -19.042 -29.443 1.00 14.24 H new ATOM 0 HD2 PHE A 69 9.526 -15.842 -26.630 1.00 42.11 H new ATOM 0 HE1 PHE A 69 7.118 -19.063 -29.464 1.00 13.20 H new ATOM 0 HE2 PHE A 69 7.070 -15.862 -26.648 1.00 52.12 H new ATOM 0 HZ PHE A 69 5.861 -17.469 -28.071 1.00 3.22 H new ATOM 1088 N VAL A 70 11.057 -14.431 -30.049 1.00 51.23 N ATOM 1089 CA VAL A 70 10.537 -13.069 -30.037 1.00 53.12 C ATOM 1090 C VAL A 70 9.242 -12.967 -30.835 1.00 13.23 C ATOM 1091 O VAL A 70 9.014 -13.736 -31.769 1.00 23.10 O ATOM 1092 CB VAL A 70 11.561 -12.071 -30.611 1.00 52.31 C ATOM 1093 CG1 VAL A 70 11.104 -10.640 -30.373 1.00 23.12 C ATOM 1094 CG2 VAL A 70 12.935 -12.310 -30.004 1.00 41.35 C ATOM 0 H VAL A 70 11.218 -14.812 -30.981 1.00 51.23 H new ATOM 0 HA VAL A 70 10.339 -12.816 -28.995 1.00 53.12 H new ATOM 0 HB VAL A 70 11.633 -12.229 -31.687 1.00 52.31 H new ATOM 0 HG11 VAL A 70 11.840 -9.950 -30.785 1.00 23.12 H new ATOM 0 HG12 VAL A 70 10.143 -10.479 -30.861 1.00 23.12 H new ATOM 0 HG13 VAL A 70 11.002 -10.464 -29.302 1.00 23.12 H new ATOM 0 HG21 VAL A 70 13.646 -11.596 -30.421 1.00 41.35 H new ATOM 0 HG22 VAL A 70 12.883 -12.181 -28.923 1.00 41.35 H new ATOM 0 HG23 VAL A 70 13.262 -13.324 -30.233 1.00 41.35 H new ATOM 1104 N ASP A 71 8.396 -12.013 -30.461 1.00 3.15 N ATOM 1105 CA ASP A 71 7.123 -11.809 -31.142 1.00 54.03 C ATOM 1106 C ASP A 71 6.217 -13.024 -30.975 1.00 20.14 C ATOM 1107 O ASP A 71 5.497 -13.406 -31.898 1.00 62.44 O ATOM 1108 CB ASP A 71 7.355 -11.530 -32.628 1.00 64.34 C ATOM 1109 CG ASP A 71 8.542 -10.617 -32.867 1.00 14.24 C ATOM 1110 OD1 ASP A 71 8.485 -9.445 -32.440 1.00 63.53 O ATOM 1111 OD2 ASP A 71 9.528 -11.076 -33.481 1.00 51.33 O1- ATOM 0 H ASP A 71 8.569 -11.369 -29.690 1.00 3.15 H new ATOM 0 HA ASP A 71 6.631 -10.947 -30.691 1.00 54.03 H new ATOM 0 HB2 ASP A 71 7.514 -12.473 -33.151 1.00 64.34 H new ATOM 0 HB3 ASP A 71 6.460 -11.076 -33.054 1.00 64.34 H new ATOM 1116 N GLY A 72 6.257 -13.628 -29.791 1.00 2.30 N ATOM 1117 CA GLY A 72 5.436 -14.795 -29.526 1.00 30.24 C ATOM 1118 C GLY A 72 5.730 -15.940 -30.473 1.00 72.25 C ATOM 1119 O GLY A 72 4.842 -16.725 -30.805 1.00 21.11 O ATOM 0 H GLY A 72 6.843 -13.330 -29.011 1.00 2.30 H new ATOM 0 HA2 GLY A 72 5.600 -15.125 -28.500 1.00 30.24 H new ATOM 0 HA3 GLY A 72 4.384 -14.521 -29.608 1.00 30.24 H new ATOM 1123 N GLN A 73 6.982 -16.036 -30.913 1.00 45.23 N ATOM 1124 CA GLN A 73 7.390 -17.092 -31.830 1.00 20.11 C ATOM 1125 C GLN A 73 8.896 -17.327 -31.756 1.00 25.04 C ATOM 1126 O GLN A 73 9.639 -16.489 -31.247 1.00 32.35 O ATOM 1127 CB GLN A 73 6.989 -16.736 -33.262 1.00 33.33 C ATOM 1128 CG GLN A 73 7.688 -15.499 -33.801 1.00 51.12 C ATOM 1129 CD GLN A 73 7.500 -15.324 -35.295 1.00 31.44 C ATOM 1130 OE1 GLN A 73 6.652 -14.551 -35.740 1.00 52.31 O ATOM 1131 NE2 GLN A 73 8.292 -16.046 -36.080 1.00 32.52 N ATOM 0 H GLN A 73 7.730 -15.395 -30.648 1.00 45.23 H new ATOM 0 HA GLN A 73 6.882 -18.010 -31.535 1.00 20.11 H new ATOM 0 HB2 GLN A 73 7.211 -17.581 -33.913 1.00 33.33 H new ATOM 0 HB3 GLN A 73 5.911 -16.579 -33.300 1.00 33.33 H new ATOM 0 HG2 GLN A 73 7.307 -14.618 -33.285 1.00 51.12 H new ATOM 0 HG3 GLN A 73 8.753 -15.563 -33.578 1.00 51.12 H new ATOM 0 HE21 GLN A 73 8.982 -16.675 -35.669 1.00 32.52 H new ATOM 0 HE22 GLN A 73 8.210 -15.972 -37.094 1.00 32.52 H new ATOM 1140 N TRP A 74 9.337 -18.472 -32.264 1.00 23.22 N ATOM 1141 CA TRP A 74 10.754 -18.817 -32.254 1.00 12.20 C ATOM 1142 C TRP A 74 11.466 -18.226 -33.465 1.00 60.11 C ATOM 1143 O TRP A 74 11.165 -18.576 -34.607 1.00 24.22 O ATOM 1144 CB TRP A 74 10.930 -20.335 -32.233 1.00 50.12 C ATOM 1145 CG TRP A 74 10.531 -20.963 -30.932 1.00 43.22 C ATOM 1146 CD1 TRP A 74 9.358 -21.606 -30.658 1.00 54.41 C ATOM 1147 CD2 TRP A 74 11.304 -21.003 -29.727 1.00 32.22 C ATOM 1148 NE1 TRP A 74 9.355 -22.045 -29.355 1.00 41.32 N ATOM 1149 CE2 TRP A 74 10.538 -21.688 -28.763 1.00 15.44 C ATOM 1150 CE3 TRP A 74 12.568 -20.529 -29.369 1.00 73.11 C ATOM 1151 CZ2 TRP A 74 10.996 -21.907 -27.467 1.00 32.40 C ATOM 1152 CZ3 TRP A 74 13.022 -20.748 -28.082 1.00 32.22 C ATOM 1153 CH2 TRP A 74 12.239 -21.432 -27.145 1.00 52.42 C ATOM 0 H TRP A 74 8.734 -19.177 -32.688 1.00 23.22 H new ATOM 0 HA TRP A 74 11.199 -18.395 -31.353 1.00 12.20 H new ATOM 0 HB2 TRP A 74 10.337 -20.773 -33.036 1.00 50.12 H new ATOM 0 HB3 TRP A 74 11.973 -20.575 -32.439 1.00 50.12 H new ATOM 0 HD1 TRP A 74 8.551 -21.749 -31.361 1.00 54.41 H new ATOM 0 HE1 TRP A 74 8.595 -22.554 -28.903 1.00 41.32 H new ATOM 0 HE3 TRP A 74 13.180 -20.001 -30.085 1.00 73.11 H new ATOM 0 HZ2 TRP A 74 10.393 -22.433 -26.742 1.00 32.40 H new ATOM 0 HZ3 TRP A 74 13.998 -20.385 -27.794 1.00 32.22 H new ATOM 0 HH2 TRP A 74 12.623 -21.588 -26.148 1.00 52.42 H new ATOM 1164 N VAL A 75 12.413 -17.329 -33.210 1.00 42.22 N ATOM 1165 CA VAL A 75 13.169 -16.691 -34.281 1.00 53.15 C ATOM 1166 C VAL A 75 14.668 -16.898 -34.094 1.00 42.43 C ATOM 1167 O VAL A 75 15.117 -17.348 -33.039 1.00 15.11 O ATOM 1168 CB VAL A 75 12.877 -15.180 -34.352 1.00 14.03 C ATOM 1169 CG1 VAL A 75 11.393 -14.935 -34.584 1.00 25.31 C ATOM 1170 CG2 VAL A 75 13.349 -14.486 -33.085 1.00 33.52 C ATOM 0 H VAL A 75 12.675 -17.028 -32.271 1.00 42.22 H new ATOM 0 HA VAL A 75 12.853 -17.159 -35.213 1.00 53.15 H new ATOM 0 HB VAL A 75 13.427 -14.760 -35.194 1.00 14.03 H new ATOM 0 HG11 VAL A 75 11.204 -13.862 -34.632 1.00 25.31 H new ATOM 0 HG12 VAL A 75 11.090 -15.399 -35.523 1.00 25.31 H new ATOM 0 HG13 VAL A 75 10.820 -15.368 -33.764 1.00 25.31 H new ATOM 0 HG21 VAL A 75 13.135 -13.419 -33.153 1.00 33.52 H new ATOM 0 HG22 VAL A 75 12.829 -14.907 -32.224 1.00 33.52 H new ATOM 0 HG23 VAL A 75 14.423 -14.634 -32.968 1.00 33.52 H new ATOM 1180 N HIS A 76 15.439 -16.566 -35.124 1.00 54.12 N ATOM 1181 CA HIS A 76 16.890 -16.714 -35.073 1.00 10.02 C ATOM 1182 C HIS A 76 17.573 -15.693 -35.978 1.00 43.22 C ATOM 1183 O HIS A 76 16.971 -15.190 -36.927 1.00 33.44 O ATOM 1184 CB HIS A 76 17.294 -18.130 -35.486 1.00 62.13 C ATOM 1185 CG HIS A 76 17.130 -18.397 -36.950 1.00 63.23 C ATOM 1186 ND1 HIS A 76 17.852 -17.973 -38.014 1.00 33.14 N flip ATOM 1187 CD2 HIS A 76 16.123 -19.187 -37.464 1.00 1.42 C flip ATOM 1188 CE1 HIS A 76 17.274 -18.509 -39.139 1.00 52.22 C flip ATOM 1189 NE2 HIS A 76 16.233 -19.237 -38.779 1.00 14.42 N flip ATOM 0 H HIS A 76 15.084 -16.193 -36.004 1.00 54.12 H new ATOM 0 HA HIS A 76 17.213 -16.537 -34.047 1.00 10.02 H new ATOM 0 HB2 HIS A 76 18.335 -18.297 -35.209 1.00 62.13 H new ATOM 0 HB3 HIS A 76 16.696 -18.848 -34.925 1.00 62.13 H new ATOM 0 HD2 HIS A 76 15.363 -19.687 -36.882 1.00 1.42 H new ATOM 0 HE1 HIS A 76 17.615 -18.359 -40.153 1.00 52.22 H new ATOM 0 HE2 HIS A 76 15.618 -19.751 -39.410 1.00 14.42 H new ATOM 1197 N ASP A 77 18.831 -15.393 -35.679 1.00 61.11 N ATOM 1198 CA ASP A 77 19.596 -14.433 -36.466 1.00 41.41 C ATOM 1199 C ASP A 77 20.486 -15.147 -37.478 1.00 24.02 C ATOM 1200 O ASP A 77 21.170 -16.121 -37.164 1.00 23.04 O ATOM 1201 CB ASP A 77 20.449 -13.555 -35.549 1.00 44.44 C ATOM 1202 CG ASP A 77 20.753 -12.202 -36.162 1.00 1.12 C ATOM 1203 OD1 ASP A 77 19.943 -11.270 -35.975 1.00 10.11 O1- ATOM 1204 OD2 ASP A 77 21.801 -12.074 -36.830 1.00 34.33 O ATOM 0 H ASP A 77 19.343 -15.801 -34.897 1.00 61.11 H new ATOM 0 HA ASP A 77 18.892 -13.802 -37.009 1.00 41.41 H new ATOM 0 HB2 ASP A 77 19.930 -13.413 -34.601 1.00 44.44 H new ATOM 0 HB3 ASP A 77 21.384 -14.068 -35.326 1.00 44.44 H new ATOM 1209 N PRO A 78 20.478 -14.652 -38.726 1.00 15.43 N ATOM 1210 CA PRO A 78 21.278 -15.228 -39.811 1.00 4.43 C ATOM 1211 C PRO A 78 22.772 -14.986 -39.620 1.00 61.31 C ATOM 1212 O PRO A 78 23.602 -15.697 -40.187 1.00 23.50 O ATOM 1213 CB PRO A 78 20.772 -14.492 -41.054 1.00 61.03 C ATOM 1214 CG PRO A 78 20.241 -13.199 -40.539 1.00 70.11 C ATOM 1215 CD PRO A 78 19.687 -13.494 -39.173 1.00 31.15 C ATOM 0 HA PRO A 78 21.170 -16.311 -39.867 1.00 4.43 H new ATOM 0 HB2 PRO A 78 21.575 -14.332 -41.773 1.00 61.03 H new ATOM 0 HB3 PRO A 78 19.996 -15.063 -41.564 1.00 61.03 H new ATOM 0 HG2 PRO A 78 21.028 -12.447 -40.487 1.00 70.11 H new ATOM 0 HG3 PRO A 78 19.467 -12.805 -41.197 1.00 70.11 H new ATOM 0 HD2 PRO A 78 19.803 -12.644 -38.500 1.00 31.15 H new ATOM 0 HD3 PRO A 78 18.623 -13.726 -39.213 1.00 31.15 H new ATOM 1223 N SER A 79 23.106 -13.981 -38.819 1.00 34.01 N ATOM 1224 CA SER A 79 24.500 -13.643 -38.557 1.00 21.01 C ATOM 1225 C SER A 79 25.130 -14.647 -37.595 1.00 1.21 C ATOM 1226 O SER A 79 26.331 -14.907 -37.652 1.00 44.53 O ATOM 1227 CB SER A 79 24.606 -12.231 -37.978 1.00 32.35 C ATOM 1228 OG SER A 79 25.914 -11.712 -38.136 1.00 23.51 O ATOM 0 H SER A 79 22.430 -13.386 -38.340 1.00 34.01 H new ATOM 0 HA SER A 79 25.041 -13.681 -39.503 1.00 21.01 H new ATOM 0 HB2 SER A 79 23.889 -11.576 -38.474 1.00 32.35 H new ATOM 0 HB3 SER A 79 24.343 -12.248 -36.920 1.00 32.35 H new ATOM 0 HG SER A 79 25.955 -10.808 -37.759 1.00 23.51 H new ATOM 1234 N GLU A 80 24.309 -15.207 -36.712 1.00 41.40 N ATOM 1235 CA GLU A 80 24.785 -16.181 -35.737 1.00 72.34 C ATOM 1236 C GLU A 80 24.905 -17.567 -36.366 1.00 21.05 C ATOM 1237 O GLU A 80 24.312 -17.857 -37.405 1.00 74.53 O ATOM 1238 CB GLU A 80 23.842 -16.235 -34.533 1.00 2.30 C ATOM 1239 CG GLU A 80 24.185 -15.232 -33.445 1.00 10.13 C ATOM 1240 CD GLU A 80 25.614 -15.368 -32.957 1.00 3.42 C ATOM 1241 OE1 GLU A 80 25.850 -16.170 -32.029 1.00 15.10 O ATOM 1242 OE2 GLU A 80 26.497 -14.672 -33.501 1.00 21.22 O1- ATOM 0 H GLU A 80 23.311 -15.003 -36.652 1.00 41.40 H new ATOM 0 HA GLU A 80 25.773 -15.866 -35.401 1.00 72.34 H new ATOM 0 HB2 GLU A 80 22.822 -16.055 -34.873 1.00 2.30 H new ATOM 0 HB3 GLU A 80 23.864 -17.239 -34.110 1.00 2.30 H new ATOM 0 HG2 GLU A 80 24.029 -14.222 -33.824 1.00 10.13 H new ATOM 0 HG3 GLU A 80 23.504 -15.366 -32.605 1.00 10.13 H new ATOM 1249 N PRO A 81 25.690 -18.442 -35.722 1.00 13.13 N ATOM 1250 CA PRO A 81 25.907 -19.811 -36.199 1.00 34.44 C ATOM 1251 C PRO A 81 24.659 -20.678 -36.060 1.00 52.34 C ATOM 1252 O PRO A 81 24.534 -21.454 -35.114 1.00 32.21 O ATOM 1253 CB PRO A 81 27.023 -20.332 -35.290 1.00 71.33 C ATOM 1254 CG PRO A 81 26.906 -19.523 -34.046 1.00 70.53 C ATOM 1255 CD PRO A 81 26.427 -18.164 -34.478 1.00 61.31 C ATOM 0 HA PRO A 81 26.156 -19.838 -37.260 1.00 34.44 H new ATOM 0 HB2 PRO A 81 26.902 -21.395 -35.084 1.00 71.33 H new ATOM 0 HB3 PRO A 81 28.002 -20.207 -35.753 1.00 71.33 H new ATOM 0 HG2 PRO A 81 26.205 -19.980 -33.348 1.00 70.53 H new ATOM 0 HG3 PRO A 81 27.866 -19.454 -33.534 1.00 70.53 H new ATOM 0 HD2 PRO A 81 25.786 -17.706 -33.725 1.00 61.31 H new ATOM 0 HD3 PRO A 81 27.259 -17.480 -34.648 1.00 61.31 H new ATOM 1263 N VAL A 82 23.739 -20.540 -37.010 1.00 53.33 N ATOM 1264 CA VAL A 82 22.503 -21.311 -36.994 1.00 75.02 C ATOM 1265 C VAL A 82 22.644 -22.594 -37.805 1.00 72.11 C ATOM 1266 O VAL A 82 23.397 -22.647 -38.778 1.00 30.20 O ATOM 1267 CB VAL A 82 21.322 -20.492 -37.552 1.00 12.11 C ATOM 1268 CG1 VAL A 82 21.127 -19.219 -36.742 1.00 54.42 C ATOM 1269 CG2 VAL A 82 21.546 -20.170 -39.022 1.00 55.33 C ATOM 0 H VAL A 82 23.827 -19.901 -37.800 1.00 53.33 H new ATOM 0 HA VAL A 82 22.302 -21.563 -35.953 1.00 75.02 H new ATOM 0 HB VAL A 82 20.414 -21.090 -37.469 1.00 12.11 H new ATOM 0 HG11 VAL A 82 20.289 -18.653 -37.150 1.00 54.42 H new ATOM 0 HG12 VAL A 82 20.920 -19.477 -35.703 1.00 54.42 H new ATOM 0 HG13 VAL A 82 22.032 -18.614 -36.792 1.00 54.42 H new ATOM 0 HG21 VAL A 82 20.703 -19.592 -39.400 1.00 55.33 H new ATOM 0 HG22 VAL A 82 22.462 -19.590 -39.132 1.00 55.33 H new ATOM 0 HG23 VAL A 82 21.633 -21.097 -39.588 1.00 55.33 H new ATOM 1279 N VAL A 83 21.915 -23.629 -37.398 1.00 45.51 N ATOM 1280 CA VAL A 83 21.957 -24.912 -38.088 1.00 23.24 C ATOM 1281 C VAL A 83 20.590 -25.586 -38.080 1.00 60.32 C ATOM 1282 O VAL A 83 19.866 -25.536 -37.086 1.00 51.55 O ATOM 1283 CB VAL A 83 22.988 -25.860 -37.448 1.00 54.51 C ATOM 1284 CG1 VAL A 83 22.660 -26.093 -35.980 1.00 32.22 C ATOM 1285 CG2 VAL A 83 23.045 -27.177 -38.206 1.00 63.11 C ATOM 0 H VAL A 83 21.288 -23.603 -36.594 1.00 45.51 H new ATOM 0 HA VAL A 83 22.252 -24.708 -39.117 1.00 23.24 H new ATOM 0 HB VAL A 83 23.971 -25.392 -37.506 1.00 54.51 H new ATOM 0 HG11 VAL A 83 23.399 -26.765 -35.544 1.00 32.22 H new ATOM 0 HG12 VAL A 83 22.676 -25.142 -35.448 1.00 32.22 H new ATOM 0 HG13 VAL A 83 21.669 -26.539 -35.895 1.00 32.22 H new ATOM 0 HG21 VAL A 83 23.779 -27.834 -37.739 1.00 63.11 H new ATOM 0 HG22 VAL A 83 22.065 -27.653 -38.182 1.00 63.11 H new ATOM 0 HG23 VAL A 83 23.332 -26.989 -39.241 1.00 63.11 H new ATOM 1377 N ILE A 90 15.349 -24.698 -37.388 1.00 10.10 N ATOM 1378 CA ILE A 90 16.583 -23.925 -37.313 1.00 62.35 C ATOM 1379 C ILE A 90 16.877 -23.499 -35.878 1.00 75.12 C ATOM 1380 O ILE A 90 15.995 -23.010 -35.173 1.00 35.51 O ATOM 1381 CB ILE A 90 16.519 -22.673 -38.205 1.00 41.43 C ATOM 1382 CG1 ILE A 90 16.071 -23.050 -39.620 1.00 0.30 C ATOM 1383 CG2 ILE A 90 17.871 -21.977 -38.241 1.00 75.22 C ATOM 1384 CD1 ILE A 90 17.051 -23.946 -40.345 1.00 52.12 C ATOM 0 HA ILE A 90 17.384 -24.573 -37.669 1.00 62.35 H new ATOM 0 HB ILE A 90 15.788 -21.983 -37.783 1.00 41.43 H new ATOM 0 HG12 ILE A 90 15.105 -23.551 -39.565 1.00 0.30 H new ATOM 0 HG13 ILE A 90 15.925 -22.139 -40.201 1.00 0.30 H new ATOM 0 HG21 ILE A 90 17.809 -21.093 -38.876 1.00 75.22 H new ATOM 0 HG22 ILE A 90 18.154 -21.679 -37.231 1.00 75.22 H new ATOM 0 HG23 ILE A 90 18.621 -22.659 -38.641 1.00 75.22 H new ATOM 0 HD11 ILE A 90 16.669 -24.173 -41.340 1.00 52.12 H new ATOM 0 HD12 ILE A 90 18.012 -23.439 -40.432 1.00 52.12 H new ATOM 0 HD13 ILE A 90 17.179 -24.873 -39.786 1.00 52.12 H new ATOM 1396 N ASN A 91 18.122 -23.686 -35.454 1.00 74.31 N ATOM 1397 CA ASN A 91 18.533 -23.319 -34.103 1.00 40.23 C ATOM 1398 C ASN A 91 19.933 -22.713 -34.107 1.00 12.32 C ATOM 1399 O ASN A 91 20.724 -22.960 -35.015 1.00 61.32 O ATOM 1400 CB ASN A 91 18.498 -24.544 -33.187 1.00 75.11 C ATOM 1401 CG ASN A 91 19.081 -25.777 -33.848 1.00 53.20 C ATOM 1402 OD1 ASN A 91 20.233 -26.221 -33.357 1.00 42.42 O flip ATOM 1403 ND2 ASN A 91 18.504 -26.324 -34.787 1.00 13.21 N flip ATOM 0 H ASN A 91 18.864 -24.089 -36.026 1.00 74.31 H new ATOM 0 HA ASN A 91 17.834 -22.572 -33.727 1.00 40.23 H new ATOM 0 HB2 ASN A 91 19.053 -24.328 -32.274 1.00 75.11 H new ATOM 0 HB3 ASN A 91 17.468 -24.745 -32.893 1.00 75.11 H new ATOM 0 HD21 ASN A 91 17.621 -25.948 -35.131 1.00 13.21 H new ATOM 0 HD22 ASN A 91 18.909 -27.153 -35.221 1.00 13.21 H new ATOM 1410 N ASN A 92 20.231 -21.919 -33.083 1.00 4.32 N ATOM 1411 CA ASN A 92 21.535 -21.277 -32.968 1.00 54.51 C ATOM 1412 C ASN A 92 22.575 -22.253 -32.426 1.00 33.33 C ATOM 1413 O ASN A 92 22.270 -23.414 -32.151 1.00 14.13 O ATOM 1414 CB ASN A 92 21.444 -20.052 -32.054 1.00 61.45 C ATOM 1415 CG ASN A 92 20.565 -18.962 -32.636 1.00 60.54 C ATOM 1416 OD1 ASN A 92 19.400 -18.824 -32.263 1.00 53.33 O ATOM 1417 ND2 ASN A 92 21.121 -18.180 -33.555 1.00 23.44 N ATOM 0 H ASN A 92 19.587 -21.705 -32.321 1.00 4.32 H new ATOM 0 HA ASN A 92 21.845 -20.958 -33.963 1.00 54.51 H new ATOM 0 HB2 ASN A 92 21.049 -20.354 -31.084 1.00 61.45 H new ATOM 0 HB3 ASN A 92 22.444 -19.655 -31.882 1.00 61.45 H new ATOM 0 HD21 ASN A 92 20.578 -17.429 -33.981 1.00 23.44 H new ATOM 0 HD22 ASN A 92 22.090 -18.331 -33.834 1.00 23.44 H new ATOM 1424 N LEU A 93 23.804 -21.773 -32.274 1.00 32.05 N ATOM 1425 CA LEU A 93 24.891 -22.603 -31.765 1.00 34.14 C ATOM 1426 C LEU A 93 25.790 -21.806 -30.825 1.00 2.14 C ATOM 1427 O LEU A 93 26.191 -20.684 -31.136 1.00 5.21 O ATOM 1428 CB LEU A 93 25.717 -23.164 -32.924 1.00 74.14 C ATOM 1429 CG LEU A 93 26.903 -24.048 -32.536 1.00 42.32 C ATOM 1430 CD1 LEU A 93 26.446 -25.196 -31.648 1.00 3.13 C ATOM 1431 CD2 LEU A 93 27.601 -24.580 -33.780 1.00 72.43 C ATOM 0 H LEU A 93 24.073 -20.814 -32.496 1.00 32.05 H new ATOM 0 HA LEU A 93 24.452 -23.430 -31.206 1.00 34.14 H new ATOM 0 HB2 LEU A 93 25.055 -23.741 -33.570 1.00 74.14 H new ATOM 0 HB3 LEU A 93 26.091 -22.328 -33.516 1.00 74.14 H new ATOM 0 HG LEU A 93 27.614 -23.442 -31.975 1.00 42.32 H new ATOM 0 HD11 LEU A 93 27.304 -25.814 -31.382 1.00 3.13 H new ATOM 0 HD12 LEU A 93 25.992 -24.796 -30.741 1.00 3.13 H new ATOM 0 HD13 LEU A 93 25.715 -25.801 -32.183 1.00 3.13 H new ATOM 0 HD21 LEU A 93 28.442 -25.207 -33.485 1.00 72.43 H new ATOM 0 HD22 LEU A 93 26.898 -25.170 -34.368 1.00 72.43 H new ATOM 0 HD23 LEU A 93 27.963 -23.745 -34.379 1.00 72.43 H new ATOM 1443 N ILE A 94 26.104 -22.394 -29.675 1.00 14.30 N ATOM 1444 CA ILE A 94 26.958 -21.740 -28.691 1.00 21.03 C ATOM 1445 C ILE A 94 28.079 -22.666 -28.233 1.00 2.32 C ATOM 1446 O ILE A 94 27.857 -23.853 -27.989 1.00 25.24 O ATOM 1447 CB ILE A 94 26.152 -21.281 -27.462 1.00 25.21 C ATOM 1448 CG1 ILE A 94 27.079 -20.646 -26.424 1.00 25.24 C ATOM 1449 CG2 ILE A 94 25.395 -22.454 -26.857 1.00 53.44 C ATOM 1450 CD1 ILE A 94 26.531 -19.370 -25.824 1.00 45.44 C ATOM 0 H ILE A 94 25.780 -23.322 -29.402 1.00 14.30 H new ATOM 0 HA ILE A 94 27.389 -20.866 -29.179 1.00 21.03 H new ATOM 0 HB ILE A 94 25.428 -20.531 -27.781 1.00 25.21 H new ATOM 0 HG12 ILE A 94 27.262 -21.364 -25.625 1.00 25.24 H new ATOM 0 HG13 ILE A 94 28.042 -20.435 -26.890 1.00 25.24 H new ATOM 0 HG21 ILE A 94 24.830 -22.114 -25.989 1.00 53.44 H new ATOM 0 HG22 ILE A 94 24.709 -22.866 -27.598 1.00 53.44 H new ATOM 0 HG23 ILE A 94 26.103 -23.224 -26.550 1.00 53.44 H new ATOM 0 HD11 ILE A 94 27.241 -18.976 -25.097 1.00 45.44 H new ATOM 0 HD12 ILE A 94 26.374 -18.635 -26.613 1.00 45.44 H new ATOM 0 HD13 ILE A 94 25.583 -19.579 -25.329 1.00 45.44 H new ATOM 1462 N HIS A 95 29.284 -22.118 -28.118 1.00 34.15 N ATOM 1463 CA HIS A 95 30.440 -22.894 -27.686 1.00 64.32 C ATOM 1464 C HIS A 95 31.067 -22.286 -26.434 1.00 64.02 C ATOM 1465 O HIS A 95 31.736 -21.256 -26.500 1.00 35.41 O ATOM 1466 CB HIS A 95 31.479 -22.968 -28.806 1.00 24.45 C ATOM 1467 CG HIS A 95 30.903 -23.357 -30.132 1.00 31.14 C ATOM 1468 ND1 HIS A 95 30.691 -22.456 -31.154 1.00 4.01 N ATOM 1469 CD2 HIS A 95 30.494 -24.559 -30.601 1.00 34.13 C ATOM 1470 CE1 HIS A 95 30.176 -23.087 -32.195 1.00 5.54 C ATOM 1471 NE2 HIS A 95 30.047 -24.364 -31.886 1.00 74.23 N ATOM 0 H HIS A 95 29.485 -21.138 -28.318 1.00 34.15 H new ATOM 0 HA HIS A 95 30.101 -23.902 -27.448 1.00 64.32 H new ATOM 0 HB2 HIS A 95 31.968 -21.998 -28.902 1.00 24.45 H new ATOM 0 HB3 HIS A 95 32.250 -23.687 -28.529 1.00 24.45 H new ATOM 0 HD1 HIS A 95 30.899 -21.458 -31.113 1.00 4.01 H new ATOM 0 HD2 HIS A 95 30.515 -25.497 -30.065 1.00 34.13 H new ATOM 0 HE1 HIS A 95 29.907 -22.635 -33.138 1.00 5.54 H new ATOM 1479 N VAL A 96 30.843 -22.932 -25.293 1.00 71.10 N ATOM 1480 CA VAL A 96 31.386 -22.456 -24.027 1.00 11.24 C ATOM 1481 C VAL A 96 32.733 -23.104 -23.728 1.00 23.32 C ATOM 1482 O VAL A 96 32.943 -24.284 -24.008 1.00 52.24 O ATOM 1483 CB VAL A 96 30.421 -22.740 -22.861 1.00 22.23 C ATOM 1484 CG1 VAL A 96 31.035 -22.301 -21.540 1.00 42.13 C ATOM 1485 CG2 VAL A 96 29.086 -22.051 -23.094 1.00 41.02 C ATOM 0 H VAL A 96 30.290 -23.786 -25.220 1.00 71.10 H new ATOM 0 HA VAL A 96 31.519 -21.379 -24.124 1.00 11.24 H new ATOM 0 HB VAL A 96 30.245 -23.815 -22.812 1.00 22.23 H new ATOM 0 HG11 VAL A 96 30.339 -22.510 -20.728 1.00 42.13 H new ATOM 0 HG12 VAL A 96 31.963 -22.847 -21.371 1.00 42.13 H new ATOM 0 HG13 VAL A 96 31.244 -21.232 -21.573 1.00 42.13 H new ATOM 0 HG21 VAL A 96 28.417 -22.263 -22.260 1.00 41.02 H new ATOM 0 HG22 VAL A 96 29.241 -20.975 -23.171 1.00 41.02 H new ATOM 0 HG23 VAL A 96 28.642 -22.421 -24.018 1.00 41.02 H new