USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=13 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 K(o=-0.74,f=0.11) USER MOD Set 1.2: A 91 ASN : amide:sc= -0.737 K(o=-0.74,f=0.11) USER MOD Set 2.1: A 34 SER OG : rot 94:sc= 1.11 USER MOD Set 2.2: A 38 ASN : amide:sc= -3.52! C(o=-2.4!,f=-9!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.52 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=-0.00323 USER MOD Single : A 39 ASN : amide:sc= -0.0212 K(o=-0.021,f=-1.4) USER MOD Single : A 41 SER OG : rot -37:sc= 0.97 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0122 USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= 1.89 (180deg=0.922) USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= -0.0799 (180deg=-0.29) USER MOD Single : A 49 SER OG : rot 180:sc= -0.158 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=-0.42) USER MOD Single : A 64 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-0.1) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 169:sc= 0.541 (180deg=0.256) USER MOD Single : A 73 GLN : amide:sc= -0.0122 K(o=-0.012,f=-1.1!) USER MOD Single : A 76 HIS : no HD1:sc= -2.99 K(o=-3,f=-1.4) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.48) USER MOD Single : A 95 HIS : no HE2:sc= -2.66 K(o=-2.7,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 233 N ALA A 17 29.467 -22.518 -13.264 1.00 12.42 N ATOM 234 CA ALA A 17 29.630 -22.404 -14.708 1.00 42.35 C ATOM 235 C ALA A 17 29.608 -20.945 -15.149 1.00 62.44 C ATOM 236 O ALA A 17 28.912 -20.118 -14.558 1.00 42.53 O ATOM 237 CB ALA A 17 28.544 -23.191 -15.426 1.00 33.33 C ATOM 0 HA ALA A 17 30.601 -22.822 -14.973 1.00 42.35 H new ATOM 0 HB1 ALA A 17 28.678 -23.097 -16.504 1.00 33.33 H new ATOM 0 HB2 ALA A 17 28.608 -24.242 -15.143 1.00 33.33 H new ATOM 0 HB3 ALA A 17 27.566 -22.799 -15.147 1.00 33.33 H new ATOM 243 N ARG A 18 30.374 -20.634 -16.190 1.00 70.43 N ATOM 244 CA ARG A 18 30.442 -19.273 -16.708 1.00 32.44 C ATOM 245 C ARG A 18 29.146 -18.895 -17.417 1.00 34.41 C ATOM 246 O ARG A 18 28.364 -19.750 -17.834 1.00 12.32 O ATOM 247 CB ARG A 18 31.623 -19.131 -17.672 1.00 12.31 C ATOM 248 CG ARG A 18 32.820 -18.417 -17.066 1.00 64.34 C ATOM 249 CD ARG A 18 33.890 -18.137 -18.110 1.00 1.20 C ATOM 250 NE ARG A 18 34.166 -16.709 -18.242 1.00 31.54 N ATOM 251 CZ ARG A 18 35.046 -16.208 -19.101 1.00 74.52 C ATOM 252 NH1 ARG A 18 35.731 -17.014 -19.901 1.00 5.14 N1+ ATOM 253 NH2 ARG A 18 35.243 -14.897 -19.161 1.00 25.53 N ATOM 0 H ARG A 18 30.956 -21.306 -16.691 1.00 70.43 H new ATOM 0 HA ARG A 18 30.585 -18.597 -15.865 1.00 32.44 H new ATOM 0 HB2 ARG A 18 31.932 -20.122 -18.004 1.00 12.31 H new ATOM 0 HB3 ARG A 18 31.295 -18.586 -18.557 1.00 12.31 H new ATOM 0 HG2 ARG A 18 32.496 -17.479 -16.616 1.00 64.34 H new ATOM 0 HG3 ARG A 18 33.241 -19.026 -16.266 1.00 64.34 H new ATOM 0 HD2 ARG A 18 34.807 -18.660 -17.838 1.00 1.20 H new ATOM 0 HD3 ARG A 18 33.570 -18.535 -19.073 1.00 1.20 H new ATOM 0 HE ARG A 18 33.655 -16.061 -17.642 1.00 31.54 H new ATOM 0 HH11 ARG A 18 35.583 -18.022 -19.858 1.00 5.14 H new ATOM 0 HH12 ARG A 18 36.406 -16.626 -20.560 1.00 5.14 H new ATOM 0 HH21 ARG A 18 34.718 -14.274 -18.547 1.00 25.53 H new ATOM 0 HH22 ARG A 18 35.919 -14.513 -19.821 1.00 25.53 H new ATOM 267 N PRO A 19 28.909 -17.582 -17.558 1.00 3.15 N ATOM 268 CA PRO A 19 27.708 -17.061 -18.217 1.00 23.40 C ATOM 269 C PRO A 19 27.711 -17.321 -19.719 1.00 70.32 C ATOM 270 O PRO A 19 28.749 -17.634 -20.305 1.00 5.33 O ATOM 271 CB PRO A 19 27.773 -15.558 -17.936 1.00 44.10 C ATOM 272 CG PRO A 19 29.220 -15.273 -17.727 1.00 71.22 C ATOM 273 CD PRO A 19 29.796 -16.506 -17.087 1.00 71.44 C ATOM 0 HA PRO A 19 26.801 -17.540 -17.847 1.00 23.40 H new ATOM 0 HB2 PRO A 19 27.373 -14.982 -18.770 1.00 44.10 H new ATOM 0 HB3 PRO A 19 27.187 -15.294 -17.056 1.00 44.10 H new ATOM 0 HG2 PRO A 19 29.716 -15.056 -18.673 1.00 71.22 H new ATOM 0 HG3 PRO A 19 29.358 -14.401 -17.088 1.00 71.22 H new ATOM 0 HD2 PRO A 19 30.828 -16.673 -17.394 1.00 71.44 H new ATOM 0 HD3 PRO A 19 29.795 -16.432 -16.000 1.00 71.44 H new ATOM 281 N THR A 20 26.543 -17.191 -20.341 1.00 62.41 N ATOM 282 CA THR A 20 26.410 -17.413 -21.775 1.00 11.43 C ATOM 283 C THR A 20 26.507 -16.101 -22.546 1.00 21.11 C ATOM 284 O THR A 20 26.159 -15.039 -22.030 1.00 33.42 O ATOM 285 CB THR A 20 25.075 -18.099 -22.116 1.00 72.41 C ATOM 286 OG1 THR A 20 25.100 -18.578 -23.466 1.00 51.10 O ATOM 287 CG2 THR A 20 23.911 -17.136 -21.937 1.00 52.22 C ATOM 0 H THR A 20 25.674 -16.933 -19.873 1.00 62.41 H new ATOM 0 HA THR A 20 27.231 -18.066 -22.071 1.00 11.43 H new ATOM 0 HB THR A 20 24.940 -18.939 -21.435 1.00 72.41 H new ATOM 0 HG1 THR A 20 24.248 -19.015 -23.674 1.00 51.10 H new ATOM 0 HG21 THR A 20 22.978 -17.643 -22.184 1.00 52.22 H new ATOM 0 HG22 THR A 20 23.876 -16.796 -20.902 1.00 52.22 H new ATOM 0 HG23 THR A 20 24.043 -16.279 -22.597 1.00 52.22 H new ATOM 295 N VAL A 21 26.980 -16.182 -23.786 1.00 64.42 N ATOM 296 CA VAL A 21 27.120 -15.000 -24.629 1.00 34.44 C ATOM 297 C VAL A 21 25.956 -14.882 -25.606 1.00 4.33 C ATOM 298 O VAL A 21 25.934 -15.545 -26.644 1.00 53.11 O ATOM 299 CB VAL A 21 28.440 -15.030 -25.421 1.00 74.51 C ATOM 300 CG1 VAL A 21 28.561 -13.797 -26.303 1.00 1.42 C ATOM 301 CG2 VAL A 21 29.627 -15.136 -24.474 1.00 42.33 C ATOM 0 H VAL A 21 27.272 -17.053 -24.229 1.00 64.42 H new ATOM 0 HA VAL A 21 27.123 -14.135 -23.965 1.00 34.44 H new ATOM 0 HB VAL A 21 28.438 -15.910 -26.065 1.00 74.51 H new ATOM 0 HG11 VAL A 21 29.500 -13.835 -26.855 1.00 1.42 H new ATOM 0 HG12 VAL A 21 27.728 -13.769 -27.005 1.00 1.42 H new ATOM 0 HG13 VAL A 21 28.542 -12.902 -25.681 1.00 1.42 H new ATOM 0 HG21 VAL A 21 30.552 -15.156 -25.051 1.00 42.33 H new ATOM 0 HG22 VAL A 21 29.636 -14.276 -23.804 1.00 42.33 H new ATOM 0 HG23 VAL A 21 29.545 -16.052 -23.888 1.00 42.33 H new ATOM 311 N ILE A 22 24.991 -14.034 -25.269 1.00 22.23 N ATOM 312 CA ILE A 22 23.825 -13.827 -26.118 1.00 2.23 C ATOM 313 C ILE A 22 23.576 -12.342 -26.359 1.00 11.25 C ATOM 314 O ILE A 22 23.711 -11.523 -25.449 1.00 71.43 O ATOM 315 CB ILE A 22 22.560 -14.454 -25.501 1.00 43.10 C ATOM 316 CG1 ILE A 22 22.410 -15.907 -25.956 1.00 14.22 C ATOM 317 CG2 ILE A 22 21.329 -13.644 -25.878 1.00 73.20 C ATOM 318 CD1 ILE A 22 22.945 -16.911 -24.959 1.00 75.24 C ATOM 0 H ILE A 22 24.994 -13.479 -24.413 1.00 22.23 H new ATOM 0 HA ILE A 22 24.037 -14.316 -27.069 1.00 2.23 H new ATOM 0 HB ILE A 22 22.659 -14.442 -24.416 1.00 43.10 H new ATOM 0 HG12 ILE A 22 21.356 -16.115 -26.139 1.00 14.22 H new ATOM 0 HG13 ILE A 22 22.930 -16.037 -26.905 1.00 14.22 H new ATOM 0 HG21 ILE A 22 20.444 -14.100 -25.435 1.00 73.20 H new ATOM 0 HG22 ILE A 22 21.437 -12.625 -25.507 1.00 73.20 H new ATOM 0 HG23 ILE A 22 21.223 -13.626 -26.963 1.00 73.20 H new ATOM 0 HD11 ILE A 22 22.805 -17.920 -25.348 1.00 75.24 H new ATOM 0 HD12 ILE A 22 24.007 -16.729 -24.794 1.00 75.24 H new ATOM 0 HD13 ILE A 22 22.409 -16.808 -24.016 1.00 75.24 H new ATOM 330 N ARG A 23 23.210 -12.000 -27.590 1.00 22.13 N ATOM 331 CA ARG A 23 22.942 -10.614 -27.951 1.00 2.21 C ATOM 332 C ARG A 23 21.912 -10.534 -29.074 1.00 24.52 C ATOM 333 O ARG A 23 22.216 -10.831 -30.229 1.00 2.42 O ATOM 334 CB ARG A 23 24.234 -9.917 -28.379 1.00 42.34 C ATOM 335 CG ARG A 23 24.997 -10.660 -29.463 1.00 24.01 C ATOM 336 CD ARG A 23 26.428 -10.160 -29.580 1.00 73.43 C ATOM 337 NE ARG A 23 27.186 -10.379 -28.351 1.00 13.23 N ATOM 338 CZ ARG A 23 28.408 -9.899 -28.146 1.00 71.22 C ATOM 339 NH1 ARG A 23 29.007 -9.177 -29.084 1.00 41.22 N1+ ATOM 340 NH2 ARG A 23 29.034 -10.140 -27.000 1.00 52.22 N ATOM 0 H ARG A 23 23.092 -12.665 -28.355 1.00 22.13 H new ATOM 0 HA ARG A 23 22.538 -10.108 -27.074 1.00 2.21 H new ATOM 0 HB2 ARG A 23 23.995 -8.915 -28.736 1.00 42.34 H new ATOM 0 HB3 ARG A 23 24.879 -9.799 -27.508 1.00 42.34 H new ATOM 0 HG2 ARG A 23 25.000 -11.727 -29.241 1.00 24.01 H new ATOM 0 HG3 ARG A 23 24.488 -10.535 -30.419 1.00 24.01 H new ATOM 0 HD2 ARG A 23 26.923 -10.669 -30.407 1.00 73.43 H new ATOM 0 HD3 ARG A 23 26.422 -9.096 -29.818 1.00 73.43 H new ATOM 0 HE ARG A 23 26.754 -10.930 -27.610 1.00 13.23 H new ATOM 0 HH11 ARG A 23 28.529 -8.989 -29.965 1.00 41.22 H new ATOM 0 HH12 ARG A 23 29.945 -8.810 -28.924 1.00 41.22 H new ATOM 0 HH21 ARG A 23 28.577 -10.694 -26.276 1.00 52.22 H new ATOM 0 HH22 ARG A 23 29.972 -9.771 -26.844 1.00 52.22 H new ATOM 354 N TRP A 24 20.695 -10.131 -28.726 1.00 71.11 N ATOM 355 CA TRP A 24 19.621 -10.013 -29.705 1.00 14.11 C ATOM 356 C TRP A 24 19.175 -8.563 -29.852 1.00 74.11 C ATOM 357 O TRP A 24 19.077 -7.831 -28.866 1.00 40.02 O ATOM 358 CB TRP A 24 18.432 -10.885 -29.296 1.00 23.53 C ATOM 359 CG TRP A 24 17.196 -10.618 -30.100 1.00 21.02 C ATOM 360 CD1 TRP A 24 16.182 -9.760 -29.781 1.00 70.23 C ATOM 361 CD2 TRP A 24 16.842 -11.213 -31.353 1.00 12.13 C ATOM 362 NE1 TRP A 24 15.218 -9.786 -30.760 1.00 1.03 N ATOM 363 CE2 TRP A 24 15.600 -10.669 -31.736 1.00 63.20 C ATOM 364 CE3 TRP A 24 17.454 -12.150 -32.189 1.00 55.20 C ATOM 365 CZ2 TRP A 24 14.962 -11.034 -32.918 1.00 23.31 C ATOM 366 CZ3 TRP A 24 16.819 -12.512 -33.362 1.00 13.34 C ATOM 367 CH2 TRP A 24 15.584 -11.954 -33.718 1.00 42.54 C ATOM 0 H TRP A 24 20.428 -9.881 -27.774 1.00 71.11 H new ATOM 0 HA TRP A 24 20.001 -10.356 -30.667 1.00 14.11 H new ATOM 0 HB2 TRP A 24 18.707 -11.934 -29.403 1.00 23.53 H new ATOM 0 HB3 TRP A 24 18.214 -10.718 -28.241 1.00 23.53 H new ATOM 0 HD1 TRP A 24 16.144 -9.151 -28.890 1.00 70.23 H new ATOM 0 HE1 TRP A 24 14.358 -9.237 -30.760 1.00 1.03 H new ATOM 0 HE3 TRP A 24 18.407 -12.584 -31.923 1.00 55.20 H new ATOM 0 HZ2 TRP A 24 14.010 -10.606 -33.194 1.00 23.31 H new ATOM 0 HZ3 TRP A 24 17.282 -13.237 -34.015 1.00 13.34 H new ATOM 0 HH2 TRP A 24 15.114 -12.256 -34.642 1.00 42.54 H new ATOM 378 N SER A 25 18.906 -8.152 -31.087 1.00 14.13 N ATOM 379 CA SER A 25 18.475 -6.787 -31.362 1.00 42.24 C ATOM 380 C SER A 25 17.305 -6.773 -32.341 1.00 64.44 C ATOM 381 O SER A 25 17.445 -7.173 -33.497 1.00 51.21 O ATOM 382 CB SER A 25 19.637 -5.965 -31.927 1.00 73.05 C ATOM 383 OG SER A 25 20.467 -6.760 -32.756 1.00 65.11 O ATOM 0 H SER A 25 18.979 -8.745 -31.913 1.00 14.13 H new ATOM 0 HA SER A 25 18.147 -6.341 -30.423 1.00 42.24 H new ATOM 0 HB2 SER A 25 19.247 -5.123 -32.498 1.00 73.05 H new ATOM 0 HB3 SER A 25 20.225 -5.550 -31.108 1.00 73.05 H new ATOM 0 HG SER A 25 21.200 -6.212 -33.106 1.00 65.11 H new ATOM 389 N GLU A 26 16.151 -6.311 -31.869 1.00 53.54 N ATOM 390 CA GLU A 26 14.957 -6.247 -32.703 1.00 53.15 C ATOM 391 C GLU A 26 14.029 -5.127 -32.238 1.00 73.25 C ATOM 392 O GLU A 26 13.748 -4.191 -32.984 1.00 53.42 O ATOM 393 CB GLU A 26 14.214 -7.584 -32.672 1.00 25.03 C ATOM 394 CG GLU A 26 13.175 -7.729 -33.771 1.00 61.21 C ATOM 395 CD GLU A 26 13.785 -8.122 -35.103 1.00 62.40 C ATOM 396 OE1 GLU A 26 15.027 -8.082 -35.219 1.00 31.44 O ATOM 397 OE2 GLU A 26 13.021 -8.468 -36.027 1.00 63.14 O1- ATOM 0 H GLU A 26 16.018 -5.976 -30.915 1.00 53.54 H new ATOM 0 HA GLU A 26 15.270 -6.037 -33.726 1.00 53.15 H new ATOM 0 HB2 GLU A 26 14.938 -8.394 -32.759 1.00 25.03 H new ATOM 0 HB3 GLU A 26 13.725 -7.696 -31.704 1.00 25.03 H new ATOM 0 HG2 GLU A 26 12.442 -8.480 -33.476 1.00 61.21 H new ATOM 0 HG3 GLU A 26 12.639 -6.787 -33.885 1.00 61.21 H new ATOM 404 N GLY A 27 13.557 -5.233 -31.000 1.00 44.43 N ATOM 405 CA GLY A 27 12.667 -4.223 -30.457 1.00 31.34 C ATOM 406 C GLY A 27 11.275 -4.763 -30.187 1.00 63.32 C ATOM 407 O GLY A 27 10.281 -4.073 -30.406 1.00 61.55 O ATOM 0 H GLY A 27 13.775 -6.000 -30.363 1.00 44.43 H new ATOM 0 HA2 GLY A 27 13.088 -3.832 -29.531 1.00 31.34 H new ATOM 0 HA3 GLY A 27 12.601 -3.388 -31.155 1.00 31.34 H new ATOM 411 N GLY A 28 11.205 -6.002 -29.708 1.00 21.34 N ATOM 412 CA GLY A 28 9.922 -6.613 -29.418 1.00 62.33 C ATOM 413 C GLY A 28 9.427 -6.286 -28.023 1.00 50.05 C ATOM 414 O GLY A 28 9.806 -5.267 -27.444 1.00 23.31 O ATOM 0 H GLY A 28 12.014 -6.593 -29.516 1.00 21.34 H new ATOM 0 HA2 GLY A 28 9.188 -6.275 -30.149 1.00 62.33 H new ATOM 0 HA3 GLY A 28 10.005 -7.694 -29.527 1.00 62.33 H new ATOM 418 N LYS A 29 8.575 -7.150 -27.481 1.00 15.42 N ATOM 419 CA LYS A 29 8.026 -6.948 -26.146 1.00 45.44 C ATOM 420 C LYS A 29 8.785 -7.776 -25.114 1.00 12.10 C ATOM 421 O LYS A 29 9.158 -7.273 -24.055 1.00 63.53 O ATOM 422 CB LYS A 29 6.542 -7.320 -26.121 1.00 41.32 C ATOM 423 CG LYS A 29 5.664 -6.374 -26.924 1.00 72.44 C ATOM 424 CD LYS A 29 5.410 -5.077 -26.173 1.00 52.45 C ATOM 425 CE LYS A 29 4.841 -4.006 -27.090 1.00 71.52 C ATOM 426 NZ LYS A 29 3.366 -4.138 -27.251 1.00 53.32 N1+ ATOM 0 H LYS A 29 8.250 -7.997 -27.947 1.00 15.42 H new ATOM 0 HA LYS A 29 8.135 -5.894 -25.892 1.00 45.44 H new ATOM 0 HB2 LYS A 29 6.423 -8.331 -26.510 1.00 41.32 H new ATOM 0 HB3 LYS A 29 6.197 -7.333 -25.087 1.00 41.32 H new ATOM 0 HG2 LYS A 29 6.142 -6.155 -27.879 1.00 72.44 H new ATOM 0 HG3 LYS A 29 4.714 -6.859 -27.147 1.00 72.44 H new ATOM 0 HD2 LYS A 29 4.717 -5.260 -25.352 1.00 52.45 H new ATOM 0 HD3 LYS A 29 6.341 -4.722 -25.731 1.00 52.45 H new ATOM 0 HE2 LYS A 29 5.075 -3.021 -26.687 1.00 71.52 H new ATOM 0 HE3 LYS A 29 5.320 -4.073 -28.067 1.00 71.52 H new ATOM 0 HZ1 LYS A 29 3.017 -3.389 -27.883 1.00 53.32 H new ATOM 0 HZ2 LYS A 29 3.143 -5.068 -27.660 1.00 53.32 H new ATOM 0 HZ3 LYS A 29 2.906 -4.049 -26.322 1.00 53.32 H new ATOM 440 N GLU A 30 9.012 -9.046 -25.432 1.00 44.21 N ATOM 441 CA GLU A 30 9.728 -9.942 -24.532 1.00 11.54 C ATOM 442 C GLU A 30 10.360 -11.098 -25.302 1.00 2.32 C ATOM 443 O GLU A 30 9.683 -11.804 -26.049 1.00 51.51 O ATOM 444 CB GLU A 30 8.782 -10.487 -23.460 1.00 14.34 C ATOM 445 CG GLU A 30 7.572 -11.211 -24.027 1.00 21.41 C ATOM 446 CD GLU A 30 6.357 -11.111 -23.124 1.00 54.10 C ATOM 447 OE1 GLU A 30 5.860 -9.985 -22.921 1.00 74.24 O1- ATOM 448 OE2 GLU A 30 5.905 -12.162 -22.622 1.00 2.20 O ATOM 0 H GLU A 30 8.711 -9.478 -26.306 1.00 44.21 H new ATOM 0 HA GLU A 30 10.522 -9.372 -24.051 1.00 11.54 H new ATOM 0 HB2 GLU A 30 9.334 -11.170 -22.814 1.00 14.34 H new ATOM 0 HB3 GLU A 30 8.441 -9.662 -22.835 1.00 14.34 H new ATOM 0 HG2 GLU A 30 7.329 -10.794 -25.005 1.00 21.41 H new ATOM 0 HG3 GLU A 30 7.821 -12.261 -24.181 1.00 21.41 H new ATOM 455 N VAL A 31 11.664 -11.282 -25.117 1.00 1.21 N ATOM 456 CA VAL A 31 12.388 -12.351 -25.794 1.00 20.01 C ATOM 457 C VAL A 31 12.869 -13.404 -24.802 1.00 24.24 C ATOM 458 O VAL A 31 13.254 -13.082 -23.677 1.00 60.13 O ATOM 459 CB VAL A 31 13.600 -11.803 -26.571 1.00 74.23 C ATOM 460 CG1 VAL A 31 13.220 -10.541 -27.332 1.00 21.21 C ATOM 461 CG2 VAL A 31 14.762 -11.537 -25.626 1.00 53.33 C ATOM 0 H VAL A 31 12.240 -10.705 -24.504 1.00 1.21 H new ATOM 0 HA VAL A 31 11.692 -12.809 -26.496 1.00 20.01 H new ATOM 0 HB VAL A 31 13.916 -12.554 -27.295 1.00 74.23 H new ATOM 0 HG11 VAL A 31 14.089 -10.168 -27.875 1.00 21.21 H new ATOM 0 HG12 VAL A 31 12.421 -10.768 -28.038 1.00 21.21 H new ATOM 0 HG13 VAL A 31 12.878 -9.781 -26.629 1.00 21.21 H new ATOM 0 HG21 VAL A 31 15.610 -11.150 -26.192 1.00 53.33 H new ATOM 0 HG22 VAL A 31 14.461 -10.805 -24.877 1.00 53.33 H new ATOM 0 HG23 VAL A 31 15.049 -12.465 -25.132 1.00 53.33 H new ATOM 471 N PHE A 32 12.843 -14.663 -25.225 1.00 63.42 N ATOM 472 CA PHE A 32 13.276 -15.764 -24.372 1.00 64.12 C ATOM 473 C PHE A 32 14.257 -16.671 -25.112 1.00 21.54 C ATOM 474 O PHE A 32 14.205 -16.792 -26.335 1.00 42.43 O ATOM 475 CB PHE A 32 12.068 -16.579 -23.902 1.00 75.51 C ATOM 476 CG PHE A 32 11.193 -15.843 -22.927 1.00 43.43 C ATOM 477 CD1 PHE A 32 10.202 -14.985 -23.376 1.00 72.34 C ATOM 478 CD2 PHE A 32 11.362 -16.010 -21.562 1.00 62.05 C ATOM 479 CE1 PHE A 32 9.395 -14.308 -22.482 1.00 32.23 C ATOM 480 CE2 PHE A 32 10.558 -15.336 -20.663 1.00 3.23 C ATOM 481 CZ PHE A 32 9.574 -14.482 -21.124 1.00 24.12 C ATOM 0 H PHE A 32 12.527 -14.947 -26.152 1.00 63.42 H new ATOM 0 HA PHE A 32 13.781 -15.341 -23.504 1.00 64.12 H new ATOM 0 HB2 PHE A 32 11.472 -16.865 -24.769 1.00 75.51 H new ATOM 0 HB3 PHE A 32 12.419 -17.501 -23.439 1.00 75.51 H new ATOM 0 HD1 PHE A 32 10.059 -14.844 -24.437 1.00 72.34 H new ATOM 0 HD2 PHE A 32 12.131 -16.675 -21.197 1.00 62.05 H new ATOM 0 HE1 PHE A 32 8.625 -13.643 -22.845 1.00 32.23 H new ATOM 0 HE2 PHE A 32 10.698 -15.476 -19.601 1.00 3.23 H new ATOM 0 HZ PHE A 32 8.946 -13.952 -20.423 1.00 24.12 H new ATOM 491 N ILE A 33 15.150 -17.303 -24.358 1.00 13.35 N ATOM 492 CA ILE A 33 16.143 -18.198 -24.940 1.00 22.33 C ATOM 493 C ILE A 33 16.033 -19.599 -24.351 1.00 62.43 C ATOM 494 O ILE A 33 15.788 -19.764 -23.155 1.00 63.03 O ATOM 495 CB ILE A 33 17.573 -17.671 -24.720 1.00 13.21 C ATOM 496 CG1 ILE A 33 18.589 -18.589 -25.403 1.00 10.32 C ATOM 497 CG2 ILE A 33 17.872 -17.556 -23.232 1.00 22.30 C ATOM 498 CD1 ILE A 33 20.027 -18.222 -25.112 1.00 22.31 C ATOM 0 H ILE A 33 15.206 -17.212 -23.344 1.00 13.35 H new ATOM 0 HA ILE A 33 15.941 -18.240 -26.010 1.00 22.33 H new ATOM 0 HB ILE A 33 17.651 -16.679 -25.165 1.00 13.21 H new ATOM 0 HG12 ILE A 33 18.412 -19.615 -25.082 1.00 10.32 H new ATOM 0 HG13 ILE A 33 18.426 -18.560 -26.480 1.00 10.32 H new ATOM 0 HG21 ILE A 33 18.886 -17.182 -23.093 1.00 22.30 H new ATOM 0 HG22 ILE A 33 17.165 -16.867 -22.771 1.00 22.30 H new ATOM 0 HG23 ILE A 33 17.779 -18.537 -22.765 1.00 22.30 H new ATOM 0 HD11 ILE A 33 20.691 -18.915 -25.629 1.00 22.31 H new ATOM 0 HD12 ILE A 33 20.221 -17.207 -25.459 1.00 22.31 H new ATOM 0 HD13 ILE A 33 20.207 -18.279 -24.038 1.00 22.31 H new ATOM 510 N SER A 34 16.217 -20.608 -25.196 1.00 25.03 N ATOM 511 CA SER A 34 16.135 -21.997 -24.760 1.00 60.30 C ATOM 512 C SER A 34 17.105 -22.872 -25.549 1.00 10.42 C ATOM 513 O SER A 34 17.252 -22.718 -26.761 1.00 43.22 O ATOM 514 CB SER A 34 14.709 -22.523 -24.923 1.00 31.12 C ATOM 515 OG SER A 34 14.509 -23.701 -24.162 1.00 65.53 O ATOM 0 H SER A 34 16.424 -20.489 -26.188 1.00 25.03 H new ATOM 0 HA SER A 34 16.410 -22.037 -23.706 1.00 60.30 H new ATOM 0 HB2 SER A 34 13.998 -21.759 -24.609 1.00 31.12 H new ATOM 0 HB3 SER A 34 14.512 -22.728 -25.975 1.00 31.12 H new ATOM 0 HG SER A 34 14.138 -23.465 -23.286 1.00 65.53 H new ATOM 521 N GLY A 35 17.766 -23.791 -24.851 1.00 50.42 N ATOM 522 CA GLY A 35 18.713 -24.677 -25.501 1.00 51.10 C ATOM 523 C GLY A 35 18.779 -26.041 -24.841 1.00 32.54 C ATOM 524 O GLY A 35 17.935 -26.377 -24.011 1.00 42.30 O ATOM 0 H GLY A 35 17.662 -23.937 -23.847 1.00 50.42 H new ATOM 0 HA2 GLY A 35 18.434 -24.797 -26.548 1.00 51.10 H new ATOM 0 HA3 GLY A 35 19.703 -24.221 -25.485 1.00 51.10 H new ATOM 528 N SER A 36 19.783 -26.829 -25.214 1.00 50.42 N ATOM 529 CA SER A 36 19.952 -28.166 -24.657 1.00 60.21 C ATOM 530 C SER A 36 20.377 -28.094 -23.194 1.00 34.32 C ATOM 531 O SER A 36 20.271 -29.074 -22.455 1.00 45.21 O ATOM 532 CB SER A 36 20.987 -28.950 -25.464 1.00 64.21 C ATOM 533 OG SER A 36 21.391 -30.120 -24.775 1.00 43.11 O ATOM 0 H SER A 36 20.491 -26.565 -25.899 1.00 50.42 H new ATOM 0 HA SER A 36 18.993 -28.681 -24.713 1.00 60.21 H new ATOM 0 HB2 SER A 36 20.568 -29.221 -26.433 1.00 64.21 H new ATOM 0 HB3 SER A 36 21.855 -28.320 -25.657 1.00 64.21 H new ATOM 0 HG SER A 36 22.052 -30.604 -25.313 1.00 43.11 H new ATOM 539 N PHE A 37 20.862 -26.927 -22.781 1.00 5.12 N ATOM 540 CA PHE A 37 21.306 -26.727 -21.406 1.00 1.32 C ATOM 541 C PHE A 37 20.148 -26.909 -20.429 1.00 52.10 C ATOM 542 O PHE A 37 20.357 -27.096 -19.231 1.00 24.42 O ATOM 543 CB PHE A 37 21.912 -25.332 -21.242 1.00 52.43 C ATOM 544 CG PHE A 37 21.001 -24.225 -21.693 1.00 52.44 C ATOM 545 CD1 PHE A 37 20.038 -23.712 -20.839 1.00 12.31 C ATOM 546 CD2 PHE A 37 21.108 -23.699 -22.970 1.00 64.24 C ATOM 547 CE1 PHE A 37 19.198 -22.695 -21.251 1.00 24.25 C ATOM 548 CE2 PHE A 37 20.271 -22.681 -23.387 1.00 64.25 C ATOM 549 CZ PHE A 37 19.316 -22.178 -22.527 1.00 63.21 C ATOM 0 H PHE A 37 20.957 -26.106 -23.379 1.00 5.12 H new ATOM 0 HA PHE A 37 22.067 -27.475 -21.183 1.00 1.32 H new ATOM 0 HB2 PHE A 37 22.168 -25.177 -20.194 1.00 52.43 H new ATOM 0 HB3 PHE A 37 22.842 -25.280 -21.808 1.00 52.43 H new ATOM 0 HD1 PHE A 37 19.943 -24.111 -19.840 1.00 12.31 H new ATOM 0 HD2 PHE A 37 21.854 -24.089 -23.647 1.00 64.24 H new ATOM 0 HE1 PHE A 37 18.450 -22.305 -20.577 1.00 24.25 H new ATOM 0 HE2 PHE A 37 20.364 -22.279 -24.385 1.00 64.25 H new ATOM 0 HZ PHE A 37 18.662 -21.382 -22.851 1.00 63.21 H new ATOM 559 N ASN A 38 18.927 -26.852 -20.950 1.00 73.11 N ATOM 560 CA ASN A 38 17.735 -27.009 -20.125 1.00 10.42 C ATOM 561 C ASN A 38 16.787 -28.042 -20.727 1.00 21.43 C ATOM 562 O ASN A 38 15.637 -28.162 -20.310 1.00 31.21 O ATOM 563 CB ASN A 38 17.014 -25.668 -19.971 1.00 72.03 C ATOM 564 CG ASN A 38 16.106 -25.363 -21.146 1.00 64.24 C ATOM 565 OD1 ASN A 38 14.924 -25.704 -21.136 1.00 35.42 O ATOM 566 ND2 ASN A 38 16.656 -24.715 -22.166 1.00 44.21 N ATOM 0 H ASN A 38 18.737 -26.698 -21.940 1.00 73.11 H new ATOM 0 HA ASN A 38 18.049 -27.360 -19.142 1.00 10.42 H new ATOM 0 HB2 ASN A 38 16.426 -25.678 -19.053 1.00 72.03 H new ATOM 0 HB3 ASN A 38 17.751 -24.872 -19.868 1.00 72.03 H new ATOM 0 HD21 ASN A 38 16.094 -24.481 -22.984 1.00 44.21 H new ATOM 0 HD22 ASN A 38 17.641 -24.452 -22.131 1.00 44.21 H new ATOM 573 N ASN A 39 17.282 -28.786 -21.711 1.00 32.24 N ATOM 574 CA ASN A 39 16.479 -29.810 -22.372 1.00 20.50 C ATOM 575 C ASN A 39 15.287 -29.186 -23.092 1.00 23.03 C ATOM 576 O ASN A 39 14.292 -29.858 -23.364 1.00 14.24 O ATOM 577 CB ASN A 39 15.991 -30.841 -21.353 1.00 75.11 C ATOM 578 CG ASN A 39 15.712 -32.191 -21.985 1.00 4.44 C ATOM 579 OD1 ASN A 39 15.718 -32.329 -23.209 1.00 63.34 O ATOM 580 ND2 ASN A 39 15.465 -33.195 -21.152 1.00 64.12 N ATOM 0 H ASN A 39 18.234 -28.700 -22.068 1.00 32.24 H new ATOM 0 HA ASN A 39 17.107 -30.308 -23.111 1.00 20.50 H new ATOM 0 HB2 ASN A 39 16.741 -30.957 -20.570 1.00 75.11 H new ATOM 0 HB3 ASN A 39 15.084 -30.473 -20.874 1.00 75.11 H new ATOM 0 HD21 ASN A 39 15.270 -34.126 -21.519 1.00 64.12 H new ATOM 0 HD22 ASN A 39 15.470 -33.035 -20.145 1.00 64.12 H new ATOM 587 N TRP A 40 15.395 -27.898 -23.397 1.00 1.42 N ATOM 588 CA TRP A 40 14.327 -27.184 -24.086 1.00 70.44 C ATOM 589 C TRP A 40 12.991 -27.389 -23.381 1.00 14.41 C ATOM 590 O TRP A 40 11.947 -27.485 -24.024 1.00 75.11 O ATOM 591 CB TRP A 40 14.227 -27.650 -25.539 1.00 13.40 C ATOM 592 CG TRP A 40 15.539 -27.618 -26.265 1.00 42.11 C ATOM 593 CD1 TRP A 40 16.576 -28.495 -26.122 1.00 21.54 C ATOM 594 CD2 TRP A 40 15.952 -26.659 -27.244 1.00 5.34 C ATOM 595 NE1 TRP A 40 17.610 -28.139 -26.954 1.00 63.33 N ATOM 596 CE2 TRP A 40 17.252 -27.016 -27.653 1.00 3.45 C ATOM 597 CE3 TRP A 40 15.351 -25.534 -27.816 1.00 11.54 C ATOM 598 CZ2 TRP A 40 17.958 -26.288 -28.608 1.00 62.33 C ATOM 599 CZ3 TRP A 40 16.053 -24.813 -28.762 1.00 53.04 C ATOM 600 CH2 TRP A 40 17.345 -25.192 -29.151 1.00 62.54 C ATOM 0 H TRP A 40 16.211 -27.327 -23.178 1.00 1.42 H new ATOM 0 HA TRP A 40 14.566 -26.121 -24.069 1.00 70.44 H new ATOM 0 HB2 TRP A 40 13.832 -28.666 -25.561 1.00 13.40 H new ATOM 0 HB3 TRP A 40 13.512 -27.019 -26.067 1.00 13.40 H new ATOM 0 HD1 TRP A 40 16.582 -29.343 -25.454 1.00 21.54 H new ATOM 0 HE1 TRP A 40 18.500 -28.631 -27.038 1.00 63.33 H new ATOM 0 HE3 TRP A 40 14.356 -25.234 -27.523 1.00 11.54 H new ATOM 0 HZ2 TRP A 40 18.954 -26.578 -28.909 1.00 62.33 H new ATOM 0 HZ3 TRP A 40 15.598 -23.942 -29.210 1.00 53.04 H new ATOM 0 HH2 TRP A 40 17.867 -24.607 -29.894 1.00 62.54 H new ATOM 611 N SER A 41 13.032 -27.456 -22.053 1.00 25.55 N ATOM 612 CA SER A 41 11.824 -27.654 -21.260 1.00 24.31 C ATOM 613 C SER A 41 11.496 -26.404 -20.450 1.00 73.12 C ATOM 614 O SER A 41 10.681 -26.443 -19.527 1.00 72.53 O ATOM 615 CB SER A 41 11.995 -28.852 -20.324 1.00 23.43 C ATOM 616 OG SER A 41 10.804 -29.106 -19.599 1.00 55.35 O ATOM 0 H SER A 41 13.888 -27.376 -21.505 1.00 25.55 H new ATOM 0 HA SER A 41 10.998 -27.850 -21.943 1.00 24.31 H new ATOM 0 HB2 SER A 41 12.267 -29.734 -20.903 1.00 23.43 H new ATOM 0 HB3 SER A 41 12.814 -28.661 -19.630 1.00 23.43 H new ATOM 0 HG SER A 41 10.379 -28.256 -19.359 1.00 55.35 H new ATOM 622 N THR A 42 12.136 -25.293 -20.801 1.00 74.23 N ATOM 623 CA THR A 42 11.914 -24.031 -20.107 1.00 14.13 C ATOM 624 C THR A 42 12.493 -22.861 -20.895 1.00 20.24 C ATOM 625 O THR A 42 13.445 -23.024 -21.659 1.00 53.41 O ATOM 626 CB THR A 42 12.538 -24.046 -18.700 1.00 54.43 C ATOM 627 OG1 THR A 42 12.285 -22.802 -18.037 1.00 52.32 O ATOM 628 CG2 THR A 42 14.038 -24.290 -18.775 1.00 23.45 C ATOM 0 H THR A 42 12.813 -25.242 -21.562 1.00 74.23 H new ATOM 0 HA THR A 42 10.835 -23.906 -20.016 1.00 14.13 H new ATOM 0 HB THR A 42 12.081 -24.858 -18.134 1.00 54.43 H new ATOM 0 HG1 THR A 42 12.684 -22.821 -17.142 1.00 52.32 H new ATOM 0 HG21 THR A 42 14.456 -24.296 -17.769 1.00 23.45 H new ATOM 0 HG22 THR A 42 14.227 -25.252 -19.252 1.00 23.45 H new ATOM 0 HG23 THR A 42 14.507 -23.497 -19.358 1.00 23.45 H new ATOM 636 N LYS A 43 11.913 -21.681 -20.704 1.00 1.11 N ATOM 637 CA LYS A 43 12.372 -20.482 -21.395 1.00 64.11 C ATOM 638 C LYS A 43 13.103 -19.548 -20.436 1.00 3.12 C ATOM 639 O LYS A 43 12.611 -19.252 -19.347 1.00 72.24 O ATOM 640 CB LYS A 43 11.188 -19.751 -22.033 1.00 65.14 C ATOM 641 CG LYS A 43 10.765 -20.330 -23.372 1.00 42.20 C ATOM 642 CD LYS A 43 10.311 -19.243 -24.331 1.00 2.13 C ATOM 643 CE LYS A 43 9.195 -19.734 -25.241 1.00 63.12 C ATOM 644 NZ LYS A 43 7.961 -18.913 -25.096 1.00 4.54 N1+ ATOM 0 H LYS A 43 11.124 -21.529 -20.076 1.00 1.11 H new ATOM 0 HA LYS A 43 13.067 -20.787 -22.177 1.00 64.11 H new ATOM 0 HB2 LYS A 43 10.340 -19.784 -21.349 1.00 65.14 H new ATOM 0 HB3 LYS A 43 11.449 -18.701 -22.167 1.00 65.14 H new ATOM 0 HG2 LYS A 43 11.598 -20.879 -23.811 1.00 42.20 H new ATOM 0 HG3 LYS A 43 9.956 -21.045 -23.221 1.00 42.20 H new ATOM 0 HD2 LYS A 43 9.966 -18.378 -23.765 1.00 2.13 H new ATOM 0 HD3 LYS A 43 11.156 -18.913 -24.935 1.00 2.13 H new ATOM 0 HE2 LYS A 43 9.532 -19.704 -26.277 1.00 63.12 H new ATOM 0 HE3 LYS A 43 8.968 -20.775 -25.009 1.00 63.12 H new ATOM 0 HZ1 LYS A 43 7.129 -19.495 -25.320 1.00 4.54 H new ATOM 0 HZ2 LYS A 43 7.888 -18.566 -24.118 1.00 4.54 H new ATOM 0 HZ3 LYS A 43 8.004 -18.104 -25.748 1.00 4.54 H new ATOM 658 N ILE A 44 14.279 -19.086 -20.849 1.00 22.14 N ATOM 659 CA ILE A 44 15.076 -18.184 -20.027 1.00 54.22 C ATOM 660 C ILE A 44 14.819 -16.728 -20.402 1.00 22.01 C ATOM 661 O ILE A 44 14.830 -16.352 -21.574 1.00 31.33 O ATOM 662 CB ILE A 44 16.581 -18.480 -20.163 1.00 4.25 C ATOM 663 CG1 ILE A 44 16.972 -19.665 -19.278 1.00 44.15 C ATOM 664 CG2 ILE A 44 17.398 -17.249 -19.800 1.00 14.54 C ATOM 665 CD1 ILE A 44 16.379 -20.979 -19.732 1.00 62.32 C ATOM 0 H ILE A 44 14.700 -19.322 -21.748 1.00 22.14 H new ATOM 0 HA ILE A 44 14.774 -18.349 -18.993 1.00 54.22 H new ATOM 0 HB ILE A 44 16.793 -18.740 -21.200 1.00 4.25 H new ATOM 0 HG12 ILE A 44 18.058 -19.752 -19.261 1.00 44.15 H new ATOM 0 HG13 ILE A 44 16.652 -19.465 -18.255 1.00 44.15 H new ATOM 0 HG21 ILE A 44 18.460 -17.474 -19.901 1.00 14.54 H new ATOM 0 HG22 ILE A 44 17.136 -16.428 -20.468 1.00 14.54 H new ATOM 0 HG23 ILE A 44 17.185 -16.961 -18.771 1.00 14.54 H new ATOM 0 HD11 ILE A 44 16.698 -21.774 -19.059 1.00 62.32 H new ATOM 0 HD12 ILE A 44 15.291 -20.910 -19.722 1.00 62.32 H new ATOM 0 HD13 ILE A 44 16.719 -21.202 -20.743 1.00 62.32 H new ATOM 677 N PRO A 45 14.584 -15.887 -19.383 1.00 72.14 N ATOM 678 CA PRO A 45 14.323 -14.459 -19.581 1.00 74.30 C ATOM 679 C PRO A 45 15.562 -13.701 -20.048 1.00 3.41 C ATOM 680 O PRO A 45 16.652 -13.878 -19.503 1.00 31.12 O ATOM 681 CB PRO A 45 13.897 -13.981 -18.190 1.00 2.44 C ATOM 682 CG PRO A 45 14.533 -14.944 -17.248 1.00 44.21 C ATOM 683 CD PRO A 45 14.556 -16.267 -17.961 1.00 20.33 C ATOM 0 HA PRO A 45 13.576 -14.285 -20.355 1.00 74.30 H new ATOM 0 HB2 PRO A 45 14.234 -12.962 -18.001 1.00 2.44 H new ATOM 0 HB3 PRO A 45 12.812 -13.983 -18.086 1.00 2.44 H new ATOM 0 HG2 PRO A 45 15.542 -14.625 -16.985 1.00 44.21 H new ATOM 0 HG3 PRO A 45 13.968 -15.012 -16.318 1.00 44.21 H new ATOM 0 HD2 PRO A 45 15.430 -16.857 -17.685 1.00 20.33 H new ATOM 0 HD3 PRO A 45 13.678 -16.867 -17.723 1.00 20.33 H new ATOM 691 N LEU A 46 15.388 -12.859 -21.060 1.00 64.14 N ATOM 692 CA LEU A 46 16.492 -12.074 -21.600 1.00 65.52 C ATOM 693 C LEU A 46 16.379 -10.613 -21.178 1.00 32.13 C ATOM 694 O LEU A 46 15.804 -9.792 -21.893 1.00 65.14 O ATOM 695 CB LEU A 46 16.515 -12.175 -23.127 1.00 61.33 C ATOM 696 CG LEU A 46 17.683 -12.957 -23.730 1.00 32.01 C ATOM 697 CD1 LEU A 46 17.285 -14.404 -23.975 1.00 34.30 C ATOM 698 CD2 LEU A 46 18.151 -12.304 -25.022 1.00 72.32 C ATOM 0 H LEU A 46 14.493 -12.702 -21.523 1.00 64.14 H new ATOM 0 HA LEU A 46 17.422 -12.477 -21.200 1.00 65.52 H new ATOM 0 HB2 LEU A 46 15.585 -12.640 -23.455 1.00 61.33 H new ATOM 0 HB3 LEU A 46 16.529 -11.165 -23.538 1.00 61.33 H new ATOM 0 HG LEU A 46 18.510 -12.944 -23.020 1.00 32.01 H new ATOM 0 HD11 LEU A 46 18.128 -14.946 -24.404 1.00 34.30 H new ATOM 0 HD12 LEU A 46 16.999 -14.867 -23.031 1.00 34.30 H new ATOM 0 HD13 LEU A 46 16.443 -14.438 -24.666 1.00 34.30 H new ATOM 0 HD21 LEU A 46 18.982 -12.874 -25.437 1.00 72.32 H new ATOM 0 HD22 LEU A 46 17.330 -12.286 -25.739 1.00 72.32 H new ATOM 0 HD23 LEU A 46 18.476 -11.284 -24.817 1.00 72.32 H new ATOM 710 N ILE A 47 16.935 -10.295 -20.014 1.00 14.12 N ATOM 711 CA ILE A 47 16.901 -8.932 -19.498 1.00 74.30 C ATOM 712 C ILE A 47 17.388 -7.936 -20.545 1.00 14.44 C ATOM 713 O ILE A 47 18.581 -7.866 -20.844 1.00 31.41 O ATOM 714 CB ILE A 47 17.761 -8.789 -18.229 1.00 0.44 C ATOM 715 CG1 ILE A 47 17.291 -9.772 -17.154 1.00 30.24 C ATOM 716 CG2 ILE A 47 17.702 -7.360 -17.708 1.00 33.01 C ATOM 717 CD1 ILE A 47 15.838 -9.604 -16.775 1.00 44.14 C ATOM 0 H ILE A 47 17.415 -10.963 -19.410 1.00 14.12 H new ATOM 0 HA ILE A 47 15.862 -8.714 -19.249 1.00 74.30 H new ATOM 0 HB ILE A 47 18.796 -9.022 -18.481 1.00 0.44 H new ATOM 0 HG12 ILE A 47 17.450 -10.790 -17.510 1.00 30.24 H new ATOM 0 HG13 ILE A 47 17.907 -9.646 -16.264 1.00 30.24 H new ATOM 0 HG21 ILE A 47 18.315 -7.274 -16.811 1.00 33.01 H new ATOM 0 HG22 ILE A 47 18.079 -6.679 -18.471 1.00 33.01 H new ATOM 0 HG23 ILE A 47 16.670 -7.102 -17.469 1.00 33.01 H new ATOM 0 HD11 ILE A 47 15.575 -10.333 -16.009 1.00 44.14 H new ATOM 0 HD12 ILE A 47 15.677 -8.598 -16.388 1.00 44.14 H new ATOM 0 HD13 ILE A 47 15.212 -9.760 -17.654 1.00 44.14 H new ATOM 729 N LYS A 48 16.459 -7.164 -21.097 1.00 15.21 N ATOM 730 CA LYS A 48 16.792 -6.167 -22.109 1.00 3.13 C ATOM 731 C LYS A 48 17.646 -5.053 -21.512 1.00 43.44 C ATOM 732 O LYS A 48 17.375 -4.572 -20.413 1.00 42.12 O ATOM 733 CB LYS A 48 15.516 -5.580 -22.715 1.00 15.03 C ATOM 734 CG LYS A 48 15.700 -5.061 -24.131 1.00 21.42 C ATOM 735 CD LYS A 48 14.646 -4.024 -24.485 1.00 24.00 C ATOM 736 CE LYS A 48 13.239 -4.580 -24.319 1.00 64.10 C ATOM 737 NZ LYS A 48 12.328 -4.113 -25.400 1.00 1.32 N1+ ATOM 0 H LYS A 48 15.468 -7.209 -20.861 1.00 15.21 H new ATOM 0 HA LYS A 48 17.365 -6.659 -22.895 1.00 3.13 H new ATOM 0 HB2 LYS A 48 14.739 -6.344 -22.715 1.00 15.03 H new ATOM 0 HB3 LYS A 48 15.163 -4.766 -22.081 1.00 15.03 H new ATOM 0 HG2 LYS A 48 16.693 -4.622 -24.233 1.00 21.42 H new ATOM 0 HG3 LYS A 48 15.645 -5.892 -24.834 1.00 21.42 H new ATOM 0 HD2 LYS A 48 14.769 -3.147 -23.850 1.00 24.00 H new ATOM 0 HD3 LYS A 48 14.789 -3.695 -25.514 1.00 24.00 H new ATOM 0 HE2 LYS A 48 13.276 -5.669 -24.321 1.00 64.10 H new ATOM 0 HE3 LYS A 48 12.840 -4.276 -23.351 1.00 64.10 H new ATOM 0 HZ1 LYS A 48 11.499 -4.739 -25.450 1.00 1.32 H new ATOM 0 HZ2 LYS A 48 12.017 -3.142 -25.196 1.00 1.32 H new ATOM 0 HZ3 LYS A 48 12.831 -4.131 -26.310 1.00 1.32 H new ATOM 751 N SER A 49 18.676 -4.646 -22.247 1.00 43.44 N ATOM 752 CA SER A 49 19.571 -3.589 -21.789 1.00 72.14 C ATOM 753 C SER A 49 19.414 -2.337 -22.647 1.00 60.13 C ATOM 754 O SER A 49 18.756 -2.360 -23.687 1.00 5.42 O ATOM 755 CB SER A 49 21.023 -4.068 -21.828 1.00 41.12 C ATOM 756 OG SER A 49 21.891 -3.114 -21.241 1.00 21.32 O ATOM 0 H SER A 49 18.912 -5.032 -23.161 1.00 43.44 H new ATOM 0 HA SER A 49 19.306 -3.341 -20.761 1.00 72.14 H new ATOM 0 HB2 SER A 49 21.110 -5.017 -21.300 1.00 41.12 H new ATOM 0 HB3 SER A 49 21.322 -4.249 -22.860 1.00 41.12 H new ATOM 0 HG SER A 49 22.813 -3.445 -21.277 1.00 21.32 H new ATOM 762 N HIS A 50 20.025 -1.242 -22.202 1.00 41.43 N ATOM 763 CA HIS A 50 19.955 0.020 -22.928 1.00 30.33 C ATOM 764 C HIS A 50 20.524 -0.129 -24.336 1.00 5.15 C ATOM 765 O HIS A 50 20.245 0.682 -25.218 1.00 32.14 O ATOM 766 CB HIS A 50 20.714 1.111 -22.171 1.00 41.03 C ATOM 767 CG HIS A 50 20.287 2.500 -22.534 1.00 40.43 C ATOM 768 ND1 HIS A 50 19.074 3.036 -22.161 1.00 11.43 N ATOM 769 CD2 HIS A 50 20.923 3.465 -23.241 1.00 70.45 C ATOM 770 CE1 HIS A 50 18.980 4.271 -22.622 1.00 0.03 C ATOM 771 NE2 HIS A 50 20.088 4.555 -23.280 1.00 34.54 N ATOM 0 H HIS A 50 20.573 -1.205 -21.343 1.00 41.43 H new ATOM 0 HA HIS A 50 18.906 0.306 -23.008 1.00 30.33 H new ATOM 0 HB2 HIS A 50 20.572 0.964 -21.100 1.00 41.03 H new ATOM 0 HB3 HIS A 50 21.781 1.004 -22.369 1.00 41.03 H new ATOM 0 HD2 HIS A 50 21.903 3.391 -23.690 1.00 70.45 H new ATOM 0 HE1 HIS A 50 18.139 4.935 -22.484 1.00 0.03 H new ATOM 0 HE2 HIS A 50 20.292 5.441 -23.743 1.00 34.54 H new ATOM 779 N ASN A 51 21.324 -1.171 -24.537 1.00 15.24 N ATOM 780 CA ASN A 51 21.935 -1.425 -25.837 1.00 64.25 C ATOM 781 C ASN A 51 21.083 -2.388 -26.659 1.00 63.54 C ATOM 782 O ASN A 51 20.729 -2.099 -27.802 1.00 35.54 O ATOM 783 CB ASN A 51 23.343 -1.997 -25.660 1.00 63.32 C ATOM 784 CG ASN A 51 24.255 -1.659 -26.824 1.00 44.03 C ATOM 785 OD1 ASN A 51 23.946 -1.961 -27.976 1.00 43.11 O ATOM 786 ND2 ASN A 51 25.385 -1.028 -26.525 1.00 71.10 N ATOM 0 H ASN A 51 21.564 -1.853 -23.817 1.00 15.24 H new ATOM 0 HA ASN A 51 22.000 -0.477 -26.371 1.00 64.25 H new ATOM 0 HB2 ASN A 51 23.776 -1.609 -24.738 1.00 63.32 H new ATOM 0 HB3 ASN A 51 23.281 -3.080 -25.553 1.00 63.32 H new ATOM 0 HD21 ASN A 51 26.038 -0.774 -27.266 1.00 71.10 H new ATOM 0 HD22 ASN A 51 25.599 -0.798 -25.555 1.00 71.10 H new ATOM 793 N ASP A 52 20.756 -3.532 -26.067 1.00 2.33 N ATOM 794 CA ASP A 52 19.944 -4.537 -26.743 1.00 51.51 C ATOM 795 C ASP A 52 19.586 -5.675 -25.792 1.00 40.41 C ATOM 796 O ASP A 52 19.762 -5.563 -24.579 1.00 50.31 O ATOM 797 CB ASP A 52 20.686 -5.089 -27.962 1.00 20.42 C ATOM 798 CG ASP A 52 21.763 -6.086 -27.581 1.00 4.32 C ATOM 799 OD1 ASP A 52 22.616 -5.743 -26.736 1.00 62.31 O ATOM 800 OD2 ASP A 52 21.752 -7.208 -28.128 1.00 62.02 O1- ATOM 0 H ASP A 52 21.041 -3.786 -25.121 1.00 2.33 H new ATOM 0 HA ASP A 52 19.022 -4.060 -27.075 1.00 51.51 H new ATOM 0 HB2 ASP A 52 19.972 -5.568 -28.632 1.00 20.42 H new ATOM 0 HB3 ASP A 52 21.137 -4.264 -28.514 1.00 20.42 H new ATOM 805 N PHE A 53 19.081 -6.770 -26.352 1.00 23.22 N ATOM 806 CA PHE A 53 18.696 -7.928 -25.554 1.00 74.32 C ATOM 807 C PHE A 53 19.900 -8.826 -25.281 1.00 74.52 C ATOM 808 O PHE A 53 20.759 -9.009 -26.145 1.00 63.11 O ATOM 809 CB PHE A 53 17.602 -8.724 -26.266 1.00 20.02 C ATOM 810 CG PHE A 53 16.320 -7.961 -26.437 1.00 51.11 C ATOM 811 CD1 PHE A 53 16.247 -6.891 -27.315 1.00 71.15 C ATOM 812 CD2 PHE A 53 15.188 -8.314 -25.720 1.00 41.23 C ATOM 813 CE1 PHE A 53 15.068 -6.187 -27.473 1.00 34.33 C ATOM 814 CE2 PHE A 53 14.006 -7.613 -25.876 1.00 25.13 C ATOM 815 CZ PHE A 53 13.947 -6.548 -26.753 1.00 23.43 C ATOM 0 H PHE A 53 18.929 -6.879 -27.355 1.00 23.22 H new ATOM 0 HA PHE A 53 18.310 -7.568 -24.600 1.00 74.32 H new ATOM 0 HB2 PHE A 53 17.967 -9.030 -27.246 1.00 20.02 H new ATOM 0 HB3 PHE A 53 17.401 -9.635 -25.702 1.00 20.02 H new ATOM 0 HD1 PHE A 53 17.121 -6.604 -27.882 1.00 71.15 H new ATOM 0 HD2 PHE A 53 15.229 -9.145 -25.032 1.00 41.23 H new ATOM 0 HE1 PHE A 53 15.024 -5.355 -28.160 1.00 34.33 H new ATOM 0 HE2 PHE A 53 13.130 -7.898 -25.312 1.00 25.13 H new ATOM 0 HZ PHE A 53 13.025 -5.998 -26.875 1.00 23.43 H new ATOM 825 N VAL A 54 19.955 -9.384 -24.076 1.00 60.01 N ATOM 826 CA VAL A 54 21.052 -10.263 -23.691 1.00 21.43 C ATOM 827 C VAL A 54 20.595 -11.295 -22.665 1.00 43.31 C ATOM 828 O VAL A 54 19.743 -11.011 -21.822 1.00 73.14 O ATOM 829 CB VAL A 54 22.233 -9.465 -23.107 1.00 12.13 C ATOM 830 CG1 VAL A 54 23.352 -10.401 -22.680 1.00 42.10 C ATOM 831 CG2 VAL A 54 22.738 -8.446 -24.119 1.00 4.03 C ATOM 0 H VAL A 54 19.253 -9.243 -23.350 1.00 60.01 H new ATOM 0 HA VAL A 54 21.380 -10.774 -24.596 1.00 21.43 H new ATOM 0 HB VAL A 54 21.885 -8.928 -22.225 1.00 12.13 H new ATOM 0 HG11 VAL A 54 24.177 -9.818 -22.270 1.00 42.10 H new ATOM 0 HG12 VAL A 54 22.981 -11.089 -21.920 1.00 42.10 H new ATOM 0 HG13 VAL A 54 23.702 -10.968 -23.543 1.00 42.10 H new ATOM 0 HG21 VAL A 54 23.572 -7.891 -23.691 1.00 4.03 H new ATOM 0 HG22 VAL A 54 23.070 -8.962 -25.020 1.00 4.03 H new ATOM 0 HG23 VAL A 54 21.934 -7.755 -24.372 1.00 4.03 H new ATOM 841 N ALA A 55 21.167 -12.492 -22.742 1.00 4.51 N ATOM 842 CA ALA A 55 20.820 -13.565 -21.819 1.00 54.01 C ATOM 843 C ALA A 55 22.016 -13.956 -20.958 1.00 32.03 C ATOM 844 O ALA A 55 23.165 -13.838 -21.385 1.00 42.01 O ATOM 845 CB ALA A 55 20.301 -14.773 -22.585 1.00 40.42 C ATOM 0 H ALA A 55 21.873 -12.743 -23.434 1.00 4.51 H new ATOM 0 HA ALA A 55 20.033 -13.202 -21.158 1.00 54.01 H new ATOM 0 HB1 ALA A 55 20.046 -15.567 -21.883 1.00 40.42 H new ATOM 0 HB2 ALA A 55 19.414 -14.491 -23.152 1.00 40.42 H new ATOM 0 HB3 ALA A 55 21.071 -15.128 -23.270 1.00 40.42 H new ATOM 851 N ILE A 56 21.739 -14.421 -19.744 1.00 34.40 N ATOM 852 CA ILE A 56 22.793 -14.829 -18.824 1.00 21.40 C ATOM 853 C ILE A 56 22.417 -16.114 -18.094 1.00 72.24 C ATOM 854 O ILE A 56 21.446 -16.151 -17.337 1.00 72.43 O ATOM 855 CB ILE A 56 23.091 -13.731 -17.786 1.00 50.33 C ATOM 856 CG1 ILE A 56 23.381 -12.402 -18.487 1.00 71.52 C ATOM 857 CG2 ILE A 56 24.264 -14.139 -16.907 1.00 41.55 C ATOM 858 CD1 ILE A 56 24.637 -12.425 -19.330 1.00 74.44 C ATOM 0 H ILE A 56 20.794 -14.524 -19.375 1.00 34.40 H new ATOM 0 HA ILE A 56 23.686 -15.002 -19.424 1.00 21.40 H new ATOM 0 HB ILE A 56 22.214 -13.602 -17.152 1.00 50.33 H new ATOM 0 HG12 ILE A 56 22.533 -12.142 -19.120 1.00 71.52 H new ATOM 0 HG13 ILE A 56 23.471 -11.617 -17.736 1.00 71.52 H new ATOM 0 HG21 ILE A 56 24.463 -13.353 -16.178 1.00 41.55 H new ATOM 0 HG22 ILE A 56 24.023 -15.065 -16.385 1.00 41.55 H new ATOM 0 HG23 ILE A 56 25.148 -14.291 -17.527 1.00 41.55 H new ATOM 0 HD11 ILE A 56 24.780 -11.450 -19.797 1.00 74.44 H new ATOM 0 HD12 ILE A 56 25.495 -12.654 -18.698 1.00 74.44 H new ATOM 0 HD13 ILE A 56 24.542 -13.187 -20.103 1.00 74.44 H new ATOM 870 N LEU A 57 23.194 -17.167 -18.324 1.00 23.15 N ATOM 871 CA LEU A 57 22.944 -18.456 -17.686 1.00 22.42 C ATOM 872 C LEU A 57 24.234 -19.261 -17.564 1.00 52.54 C ATOM 873 O LEU A 57 25.009 -19.359 -18.516 1.00 60.35 O ATOM 874 CB LEU A 57 21.907 -19.249 -18.482 1.00 74.01 C ATOM 875 CG LEU A 57 21.935 -19.056 -19.998 1.00 65.41 C ATOM 876 CD1 LEU A 57 21.447 -20.313 -20.704 1.00 60.15 C ATOM 877 CD2 LEU A 57 21.090 -17.855 -20.400 1.00 20.50 C ATOM 0 H LEU A 57 24.002 -17.154 -18.947 1.00 23.15 H new ATOM 0 HA LEU A 57 22.557 -18.270 -16.684 1.00 22.42 H new ATOM 0 HB2 LEU A 57 22.047 -20.309 -18.268 1.00 74.01 H new ATOM 0 HB3 LEU A 57 20.915 -18.978 -18.119 1.00 74.01 H new ATOM 0 HG LEU A 57 22.965 -18.868 -20.302 1.00 65.41 H new ATOM 0 HD11 LEU A 57 21.473 -20.158 -21.783 1.00 60.15 H new ATOM 0 HD12 LEU A 57 22.092 -21.151 -20.442 1.00 60.15 H new ATOM 0 HD13 LEU A 57 20.425 -20.531 -20.394 1.00 60.15 H new ATOM 0 HD21 LEU A 57 21.122 -17.734 -21.483 1.00 20.50 H new ATOM 0 HD22 LEU A 57 20.059 -18.013 -20.083 1.00 20.50 H new ATOM 0 HD23 LEU A 57 21.483 -16.957 -19.922 1.00 20.50 H new ATOM 889 N ASP A 58 24.456 -19.839 -16.388 1.00 34.22 N ATOM 890 CA ASP A 58 25.649 -20.640 -16.143 1.00 0.11 C ATOM 891 C ASP A 58 25.553 -21.989 -16.848 1.00 63.43 C ATOM 892 O ASP A 58 24.797 -22.868 -16.431 1.00 41.24 O ATOM 893 CB ASP A 58 25.849 -20.849 -14.641 1.00 24.31 C ATOM 894 CG ASP A 58 24.652 -21.506 -13.984 1.00 42.33 C ATOM 895 OD1 ASP A 58 23.702 -20.781 -13.620 1.00 22.34 O1- ATOM 896 OD2 ASP A 58 24.665 -22.746 -13.831 1.00 2.41 O ATOM 0 H ASP A 58 23.825 -19.767 -15.590 1.00 34.22 H new ATOM 0 HA ASP A 58 26.507 -20.101 -16.545 1.00 0.11 H new ATOM 0 HB2 ASP A 58 26.733 -21.465 -14.477 1.00 24.31 H new ATOM 0 HB3 ASP A 58 26.038 -19.887 -14.165 1.00 24.31 H new ATOM 901 N LEU A 59 26.321 -22.147 -17.920 1.00 33.22 N ATOM 902 CA LEU A 59 26.323 -23.388 -18.686 1.00 60.20 C ATOM 903 C LEU A 59 27.660 -24.109 -18.552 1.00 1.03 C ATOM 904 O LEU A 59 28.705 -23.495 -18.334 1.00 70.11 O ATOM 905 CB LEU A 59 26.030 -23.103 -20.160 1.00 32.04 C ATOM 906 CG LEU A 59 24.892 -22.120 -20.440 1.00 60.02 C ATOM 907 CD1 LEU A 59 24.964 -21.614 -21.871 1.00 43.15 C ATOM 908 CD2 LEU A 59 23.544 -22.773 -20.170 1.00 1.32 C ATOM 0 H LEU A 59 26.951 -21.430 -18.279 1.00 33.22 H new ATOM 0 HA LEU A 59 25.541 -24.033 -18.285 1.00 60.20 H new ATOM 0 HB2 LEU A 59 26.939 -22.717 -20.622 1.00 32.04 H new ATOM 0 HB3 LEU A 59 25.797 -24.047 -20.653 1.00 32.04 H new ATOM 0 HG LEU A 59 25.001 -21.268 -19.769 1.00 60.02 H new ATOM 0 HD11 LEU A 59 24.147 -20.916 -22.052 1.00 43.15 H new ATOM 0 HD12 LEU A 59 25.916 -21.107 -22.030 1.00 43.15 H new ATOM 0 HD13 LEU A 59 24.881 -22.455 -22.559 1.00 43.15 H new ATOM 0 HD21 LEU A 59 22.746 -22.059 -20.375 1.00 1.32 H new ATOM 0 HD22 LEU A 59 23.426 -23.644 -20.815 1.00 1.32 H new ATOM 0 HD23 LEU A 59 23.493 -23.085 -19.127 1.00 1.32 H new ATOM 920 N PRO A 60 27.629 -25.444 -18.686 1.00 53.42 N ATOM 921 CA PRO A 60 28.832 -26.277 -18.586 1.00 72.32 C ATOM 922 C PRO A 60 29.772 -26.082 -19.770 1.00 43.23 C ATOM 923 O PRO A 60 29.340 -25.713 -20.862 1.00 43.11 O ATOM 924 CB PRO A 60 28.274 -27.703 -18.575 1.00 45.22 C ATOM 925 CG PRO A 60 26.964 -27.603 -19.277 1.00 34.34 C ATOM 926 CD PRO A 60 26.419 -26.242 -18.945 1.00 31.23 C ATOM 0 HA PRO A 60 29.428 -26.030 -17.707 1.00 72.32 H new ATOM 0 HB2 PRO A 60 28.945 -28.394 -19.085 1.00 45.22 H new ATOM 0 HB3 PRO A 60 28.150 -28.072 -17.557 1.00 45.22 H new ATOM 0 HG2 PRO A 60 27.088 -27.722 -20.353 1.00 34.34 H new ATOM 0 HG3 PRO A 60 26.283 -28.387 -18.946 1.00 34.34 H new ATOM 0 HD2 PRO A 60 25.835 -25.831 -19.769 1.00 31.23 H new ATOM 0 HD3 PRO A 60 25.764 -26.273 -18.074 1.00 31.23 H new ATOM 934 N GLU A 61 31.058 -26.332 -19.547 1.00 34.34 N ATOM 935 CA GLU A 61 32.059 -26.182 -20.597 1.00 51.40 C ATOM 936 C GLU A 61 31.800 -27.162 -21.738 1.00 71.00 C ATOM 937 O GLU A 61 31.995 -28.368 -21.592 1.00 52.22 O ATOM 938 CB GLU A 61 33.463 -26.403 -20.029 1.00 14.52 C ATOM 939 CG GLU A 61 34.546 -26.462 -21.092 1.00 12.24 C ATOM 940 CD GLU A 61 34.841 -27.878 -21.547 1.00 4.13 C ATOM 941 OE1 GLU A 61 34.860 -28.784 -20.687 1.00 62.21 O ATOM 942 OE2 GLU A 61 35.051 -28.081 -22.761 1.00 14.15 O1- ATOM 0 H GLU A 61 31.431 -26.639 -18.649 1.00 34.34 H new ATOM 0 HA GLU A 61 31.989 -25.167 -20.989 1.00 51.40 H new ATOM 0 HB2 GLU A 61 33.694 -25.599 -19.331 1.00 14.52 H new ATOM 0 HB3 GLU A 61 33.473 -27.332 -19.459 1.00 14.52 H new ATOM 0 HG2 GLU A 61 34.240 -25.865 -21.951 1.00 12.24 H new ATOM 0 HG3 GLU A 61 35.459 -26.013 -20.701 1.00 12.24 H new ATOM 949 N GLY A 62 31.359 -26.633 -22.875 1.00 75.14 N ATOM 950 CA GLY A 62 31.081 -27.473 -24.025 1.00 3.44 C ATOM 951 C GLY A 62 30.359 -26.725 -25.128 1.00 3.40 C ATOM 952 O GLY A 62 30.413 -25.498 -25.192 1.00 30.13 O ATOM 0 H GLY A 62 31.189 -25.638 -23.020 1.00 75.14 H new ATOM 0 HA2 GLY A 62 32.017 -27.873 -24.414 1.00 3.44 H new ATOM 0 HA3 GLY A 62 30.477 -28.324 -23.712 1.00 3.44 H new ATOM 956 N GLU A 63 29.685 -27.467 -26.002 1.00 44.04 N ATOM 957 CA GLU A 63 28.953 -26.865 -27.110 1.00 31.31 C ATOM 958 C GLU A 63 27.468 -27.206 -27.030 1.00 34.40 C ATOM 959 O GLU A 63 27.122 -28.386 -26.975 1.00 55.14 O ATOM 960 CB GLU A 63 29.526 -27.341 -28.447 1.00 71.45 C ATOM 961 CG GLU A 63 28.736 -26.860 -29.653 1.00 41.01 C ATOM 962 CD GLU A 63 29.223 -27.475 -30.952 1.00 64.35 C ATOM 963 OE1 GLU A 63 29.205 -28.718 -31.062 1.00 63.41 O1- ATOM 964 OE2 GLU A 63 29.619 -26.710 -31.856 1.00 13.32 O ATOM 0 H GLU A 63 29.631 -28.485 -25.964 1.00 44.04 H new ATOM 0 HA GLU A 63 29.064 -25.783 -27.040 1.00 31.31 H new ATOM 0 HB2 GLU A 63 30.556 -26.994 -28.536 1.00 71.45 H new ATOM 0 HB3 GLU A 63 29.555 -28.431 -28.453 1.00 71.45 H new ATOM 0 HG2 GLU A 63 27.683 -27.102 -29.513 1.00 41.01 H new ATOM 0 HG3 GLU A 63 28.807 -25.774 -29.720 1.00 41.01 H new ATOM 971 N HIS A 64 26.632 -26.178 -27.024 1.00 11.42 N ATOM 972 CA HIS A 64 25.195 -26.382 -26.951 1.00 43.11 C ATOM 973 C HIS A 64 24.500 -25.523 -28.008 1.00 20.11 C ATOM 974 O HIS A 64 25.090 -24.625 -28.609 1.00 22.41 O ATOM 975 CB HIS A 64 24.681 -26.112 -25.536 1.00 0.52 C ATOM 976 CG HIS A 64 25.771 -25.841 -24.527 1.00 30.40 C ATOM 977 ND1 HIS A 64 26.138 -26.756 -23.555 1.00 23.24 N ATOM 978 CD2 HIS A 64 26.570 -24.750 -24.349 1.00 51.01 C ATOM 979 CE1 HIS A 64 27.114 -26.228 -22.831 1.00 5.41 C ATOM 980 NE2 HIS A 64 27.380 -24.985 -23.324 1.00 33.03 N ATOM 0 H HIS A 64 26.922 -25.201 -27.069 1.00 11.42 H new ATOM 0 HA HIS A 64 24.960 -27.424 -27.169 1.00 43.11 H new ATOM 0 HB2 HIS A 64 24.005 -25.257 -25.563 1.00 0.52 H new ATOM 0 HB3 HIS A 64 24.097 -26.970 -25.203 1.00 0.52 H new ATOM 0 HD2 HIS A 64 26.547 -23.848 -24.942 1.00 51.01 H new ATOM 0 HE1 HIS A 64 27.612 -26.700 -21.997 1.00 5.41 H new ATOM 0 HE2 HIS A 64 28.085 -24.342 -22.964 1.00 33.03 H new ATOM 988 N GLN A 65 23.223 -25.822 -28.224 1.00 1.42 N ATOM 989 CA GLN A 65 22.423 -25.095 -29.202 1.00 75.43 C ATOM 990 C GLN A 65 21.223 -24.429 -28.536 1.00 40.13 C ATOM 991 O GLN A 65 20.464 -25.075 -27.813 1.00 52.02 O ATOM 992 CB GLN A 65 21.950 -26.038 -30.309 1.00 73.02 C ATOM 993 CG GLN A 65 22.884 -26.088 -31.507 1.00 71.31 C ATOM 994 CD GLN A 65 23.101 -27.497 -32.020 1.00 43.32 C ATOM 995 OE1 GLN A 65 22.436 -27.939 -32.958 1.00 5.51 O ATOM 996 NE2 GLN A 65 24.035 -28.214 -31.405 1.00 53.03 N ATOM 0 H GLN A 65 22.720 -26.563 -27.735 1.00 1.42 H new ATOM 0 HA GLN A 65 23.049 -24.318 -29.641 1.00 75.43 H new ATOM 0 HB2 GLN A 65 21.845 -27.042 -29.899 1.00 73.02 H new ATOM 0 HB3 GLN A 65 20.961 -25.725 -30.643 1.00 73.02 H new ATOM 0 HG2 GLN A 65 22.474 -25.473 -32.308 1.00 71.31 H new ATOM 0 HG3 GLN A 65 23.845 -25.654 -31.232 1.00 71.31 H new ATOM 0 HE21 GLN A 65 24.563 -27.808 -30.632 1.00 53.03 H new ATOM 0 HE22 GLN A 65 24.225 -29.170 -31.706 1.00 53.03 H new ATOM 1005 N TYR A 66 21.056 -23.135 -28.786 1.00 4.15 N ATOM 1006 CA TYR A 66 19.950 -22.382 -28.209 1.00 72.34 C ATOM 1007 C TYR A 66 19.056 -21.802 -29.302 1.00 74.34 C ATOM 1008 O TYR A 66 19.348 -21.928 -30.491 1.00 1.32 O ATOM 1009 CB TYR A 66 20.480 -21.256 -27.319 1.00 10.24 C ATOM 1010 CG TYR A 66 21.280 -20.216 -28.071 1.00 32.44 C ATOM 1011 CD1 TYR A 66 22.619 -20.428 -28.377 1.00 40.20 C ATOM 1012 CD2 TYR A 66 20.698 -19.022 -28.475 1.00 2.13 C ATOM 1013 CE1 TYR A 66 23.354 -19.481 -29.063 1.00 2.40 C ATOM 1014 CE2 TYR A 66 21.425 -18.069 -29.162 1.00 71.43 C ATOM 1015 CZ TYR A 66 22.753 -18.303 -29.454 1.00 22.23 C ATOM 1016 OH TYR A 66 23.480 -17.357 -30.138 1.00 12.33 O ATOM 0 H TYR A 66 21.673 -22.586 -29.385 1.00 4.15 H new ATOM 0 HA TYR A 66 19.356 -23.066 -27.603 1.00 72.34 H new ATOM 0 HB2 TYR A 66 19.640 -20.769 -26.825 1.00 10.24 H new ATOM 0 HB3 TYR A 66 21.104 -21.686 -26.536 1.00 10.24 H new ATOM 0 HD1 TYR A 66 23.093 -21.349 -28.073 1.00 40.20 H new ATOM 0 HD2 TYR A 66 19.659 -18.835 -28.248 1.00 2.13 H new ATOM 0 HE1 TYR A 66 24.394 -19.662 -29.292 1.00 2.40 H new ATOM 0 HE2 TYR A 66 20.956 -17.146 -29.469 1.00 71.43 H new ATOM 0 HH TYR A 66 22.908 -16.588 -30.340 1.00 12.33 H new ATOM 1026 N LYS A 67 17.966 -21.166 -28.890 1.00 53.20 N ATOM 1027 CA LYS A 67 17.028 -20.564 -29.830 1.00 62.12 C ATOM 1028 C LYS A 67 16.339 -19.352 -29.212 1.00 21.43 C ATOM 1029 O LYS A 67 16.027 -19.343 -28.022 1.00 63.05 O ATOM 1030 CB LYS A 67 15.982 -21.591 -30.266 1.00 52.15 C ATOM 1031 CG LYS A 67 15.057 -21.091 -31.363 1.00 4.31 C ATOM 1032 CD LYS A 67 15.736 -21.121 -32.722 1.00 75.43 C ATOM 1033 CE LYS A 67 14.829 -20.567 -33.811 1.00 71.15 C ATOM 1034 NZ LYS A 67 13.771 -21.540 -34.200 1.00 33.33 N1+ ATOM 0 H LYS A 67 17.709 -21.054 -27.909 1.00 53.20 H new ATOM 0 HA LYS A 67 17.590 -20.233 -30.703 1.00 62.12 H new ATOM 0 HB2 LYS A 67 16.491 -22.490 -30.614 1.00 52.15 H new ATOM 0 HB3 LYS A 67 15.384 -21.877 -29.401 1.00 52.15 H new ATOM 0 HG2 LYS A 67 14.158 -21.707 -31.391 1.00 4.31 H new ATOM 0 HG3 LYS A 67 14.739 -20.073 -31.136 1.00 4.31 H new ATOM 0 HD2 LYS A 67 16.657 -20.539 -32.683 1.00 75.43 H new ATOM 0 HD3 LYS A 67 16.017 -22.145 -32.967 1.00 75.43 H new ATOM 0 HE2 LYS A 67 14.364 -19.645 -33.462 1.00 71.15 H new ATOM 0 HE3 LYS A 67 15.427 -20.311 -34.686 1.00 71.15 H new ATOM 0 HZ1 LYS A 67 13.067 -21.066 -34.801 1.00 33.33 H new ATOM 0 HZ2 LYS A 67 14.200 -22.328 -34.725 1.00 33.33 H new ATOM 0 HZ3 LYS A 67 13.305 -21.907 -33.345 1.00 33.33 H new ATOM 1048 N PHE A 68 16.104 -18.330 -30.030 1.00 0.13 N ATOM 1049 CA PHE A 68 15.451 -17.113 -29.562 1.00 34.41 C ATOM 1050 C PHE A 68 13.943 -17.185 -29.782 1.00 74.51 C ATOM 1051 O PHE A 68 13.470 -17.853 -30.703 1.00 43.04 O ATOM 1052 CB PHE A 68 16.025 -15.891 -30.285 1.00 21.54 C ATOM 1053 CG PHE A 68 17.392 -15.498 -29.803 1.00 34.32 C ATOM 1054 CD1 PHE A 68 17.624 -15.254 -28.459 1.00 45.22 C ATOM 1055 CD2 PHE A 68 18.445 -15.370 -30.696 1.00 24.44 C ATOM 1056 CE1 PHE A 68 18.881 -14.892 -28.013 1.00 21.32 C ATOM 1057 CE2 PHE A 68 19.704 -15.008 -30.255 1.00 64.40 C ATOM 1058 CZ PHE A 68 19.922 -14.768 -28.912 1.00 60.24 C ATOM 0 H PHE A 68 16.356 -18.321 -31.018 1.00 0.13 H new ATOM 0 HA PHE A 68 15.640 -17.017 -28.493 1.00 34.41 H new ATOM 0 HB2 PHE A 68 16.071 -16.100 -31.354 1.00 21.54 H new ATOM 0 HB3 PHE A 68 15.346 -15.049 -30.154 1.00 21.54 H new ATOM 0 HD1 PHE A 68 16.813 -15.348 -27.752 1.00 45.22 H new ATOM 0 HD2 PHE A 68 18.280 -15.555 -31.747 1.00 24.44 H new ATOM 0 HE1 PHE A 68 19.049 -14.706 -26.962 1.00 21.32 H new ATOM 0 HE2 PHE A 68 20.517 -14.913 -30.960 1.00 64.40 H new ATOM 0 HZ PHE A 68 20.905 -14.484 -28.566 1.00 60.24 H new ATOM 1068 N PHE A 69 13.193 -16.494 -28.930 1.00 64.40 N ATOM 1069 CA PHE A 69 11.738 -16.482 -29.029 1.00 63.41 C ATOM 1070 C PHE A 69 11.195 -15.065 -28.867 1.00 34.32 C ATOM 1071 O PHE A 69 10.980 -14.594 -27.750 1.00 62.44 O ATOM 1072 CB PHE A 69 11.125 -17.400 -27.970 1.00 5.13 C ATOM 1073 CG PHE A 69 9.624 -17.422 -27.992 1.00 23.30 C ATOM 1074 CD1 PHE A 69 8.943 -18.246 -28.873 1.00 14.24 C ATOM 1075 CD2 PHE A 69 8.893 -16.618 -27.132 1.00 42.11 C ATOM 1076 CE1 PHE A 69 7.561 -18.270 -28.895 1.00 13.20 C ATOM 1077 CE2 PHE A 69 7.511 -16.637 -27.149 1.00 52.12 C ATOM 1078 CZ PHE A 69 6.845 -17.463 -28.033 1.00 3.22 C ATOM 0 H PHE A 69 13.568 -15.935 -28.164 1.00 64.40 H new ATOM 0 HA PHE A 69 11.463 -16.848 -30.018 1.00 63.41 H new ATOM 0 HB2 PHE A 69 11.497 -18.413 -28.120 1.00 5.13 H new ATOM 0 HB3 PHE A 69 11.461 -17.079 -26.984 1.00 5.13 H new ATOM 0 HD1 PHE A 69 9.498 -18.877 -29.551 1.00 14.24 H new ATOM 0 HD2 PHE A 69 9.409 -15.969 -26.440 1.00 42.11 H new ATOM 0 HE1 PHE A 69 7.042 -18.919 -29.585 1.00 13.20 H new ATOM 0 HE2 PHE A 69 6.953 -16.007 -26.472 1.00 52.12 H new ATOM 0 HZ PHE A 69 5.765 -17.478 -28.050 1.00 3.22 H new ATOM 1088 N VAL A 70 10.974 -14.390 -29.991 1.00 51.23 N ATOM 1089 CA VAL A 70 10.454 -13.028 -29.975 1.00 53.12 C ATOM 1090 C VAL A 70 9.150 -12.928 -30.757 1.00 13.23 C ATOM 1091 O VAL A 70 8.918 -13.686 -31.699 1.00 23.10 O ATOM 1092 CB VAL A 70 11.471 -12.033 -30.565 1.00 52.31 C ATOM 1093 CG1 VAL A 70 11.082 -10.604 -30.221 1.00 23.12 C ATOM 1094 CG2 VAL A 70 12.874 -12.346 -30.066 1.00 41.35 C ATOM 0 H VAL A 70 11.147 -14.764 -30.924 1.00 51.23 H new ATOM 0 HA VAL A 70 10.269 -12.772 -28.932 1.00 53.12 H new ATOM 0 HB VAL A 70 11.464 -12.135 -31.650 1.00 52.31 H new ATOM 0 HG11 VAL A 70 11.812 -9.916 -30.646 1.00 23.12 H new ATOM 0 HG12 VAL A 70 10.096 -10.386 -30.632 1.00 23.12 H new ATOM 0 HG13 VAL A 70 11.058 -10.484 -29.138 1.00 23.12 H new ATOM 0 HG21 VAL A 70 13.579 -11.633 -30.493 1.00 41.35 H new ATOM 0 HG22 VAL A 70 12.898 -12.273 -28.979 1.00 41.35 H new ATOM 0 HG23 VAL A 70 13.151 -13.356 -30.368 1.00 41.35 H new ATOM 1104 N ASP A 71 8.299 -11.987 -30.361 1.00 3.15 N ATOM 1105 CA ASP A 71 7.018 -11.785 -31.025 1.00 54.03 C ATOM 1106 C ASP A 71 6.146 -13.033 -30.916 1.00 20.14 C ATOM 1107 O ASP A 71 5.452 -13.402 -31.861 1.00 62.44 O ATOM 1108 CB ASP A 71 7.233 -11.425 -32.496 1.00 64.34 C ATOM 1109 CG ASP A 71 5.984 -10.857 -33.141 1.00 14.24 C ATOM 1110 OD1 ASP A 71 4.995 -10.619 -32.415 1.00 63.53 O ATOM 1111 OD2 ASP A 71 5.995 -10.650 -34.372 1.00 51.33 O1- ATOM 0 H ASP A 71 8.475 -11.352 -29.582 1.00 3.15 H new ATOM 0 HA ASP A 71 6.505 -10.961 -30.528 1.00 54.03 H new ATOM 0 HB2 ASP A 71 8.042 -10.698 -32.575 1.00 64.34 H new ATOM 0 HB3 ASP A 71 7.549 -12.314 -33.042 1.00 64.34 H new ATOM 1116 N GLY A 72 6.191 -13.679 -29.755 1.00 2.30 N ATOM 1117 CA GLY A 72 5.403 -14.880 -29.543 1.00 30.24 C ATOM 1118 C GLY A 72 5.731 -15.972 -30.541 1.00 72.25 C ATOM 1119 O GLY A 72 4.860 -16.750 -30.929 1.00 21.11 O ATOM 0 H GLY A 72 6.759 -13.393 -28.957 1.00 2.30 H new ATOM 0 HA2 GLY A 72 5.577 -15.251 -28.533 1.00 30.24 H new ATOM 0 HA3 GLY A 72 4.344 -14.633 -29.614 1.00 30.24 H new ATOM 1123 N GLN A 73 6.992 -16.030 -30.959 1.00 45.23 N ATOM 1124 CA GLN A 73 7.432 -17.034 -31.920 1.00 20.11 C ATOM 1125 C GLN A 73 8.939 -17.256 -31.826 1.00 25.04 C ATOM 1126 O GLN A 73 9.677 -16.380 -31.374 1.00 32.35 O ATOM 1127 CB GLN A 73 7.056 -16.610 -33.342 1.00 33.33 C ATOM 1128 CG GLN A 73 7.807 -15.382 -33.829 1.00 51.12 C ATOM 1129 CD GLN A 73 7.628 -15.142 -35.315 1.00 31.44 C ATOM 1130 OE1 GLN A 73 7.428 -16.079 -36.088 1.00 52.31 O ATOM 1131 NE2 GLN A 73 7.701 -13.880 -35.723 1.00 32.52 N ATOM 0 H GLN A 73 7.726 -15.394 -30.647 1.00 45.23 H new ATOM 0 HA GLN A 73 6.929 -17.971 -31.682 1.00 20.11 H new ATOM 0 HB2 GLN A 73 7.251 -17.439 -34.023 1.00 33.33 H new ATOM 0 HB3 GLN A 73 5.985 -16.410 -33.382 1.00 33.33 H new ATOM 0 HG2 GLN A 73 7.461 -14.507 -33.279 1.00 51.12 H new ATOM 0 HG3 GLN A 73 8.868 -15.498 -33.608 1.00 51.12 H new ATOM 0 HE21 GLN A 73 7.868 -13.134 -35.047 1.00 32.52 H new ATOM 0 HE22 GLN A 73 7.590 -13.656 -36.712 1.00 32.52 H new ATOM 1140 N TRP A 74 9.386 -18.430 -32.254 1.00 23.22 N ATOM 1141 CA TRP A 74 10.806 -18.765 -32.216 1.00 12.20 C ATOM 1142 C TRP A 74 11.530 -18.205 -33.434 1.00 60.11 C ATOM 1143 O TRP A 74 11.252 -18.595 -34.569 1.00 24.22 O ATOM 1144 CB TRP A 74 10.990 -20.283 -32.152 1.00 50.12 C ATOM 1145 CG TRP A 74 10.525 -20.882 -30.859 1.00 43.22 C ATOM 1146 CD1 TRP A 74 9.321 -21.481 -30.619 1.00 54.41 C ATOM 1147 CD2 TRP A 74 11.255 -20.940 -29.629 1.00 32.22 C ATOM 1148 NE1 TRP A 74 9.259 -21.907 -29.314 1.00 41.32 N ATOM 1149 CE2 TRP A 74 10.434 -21.588 -28.686 1.00 15.44 C ATOM 1150 CE3 TRP A 74 12.525 -20.509 -29.233 1.00 73.11 C ATOM 1151 CZ2 TRP A 74 10.842 -21.813 -27.373 1.00 32.40 C ATOM 1152 CZ3 TRP A 74 12.928 -20.732 -27.930 1.00 32.22 C ATOM 1153 CH2 TRP A 74 12.088 -21.380 -27.013 1.00 52.42 C ATOM 0 H TRP A 74 8.788 -19.165 -32.631 1.00 23.22 H new ATOM 0 HA TRP A 74 11.237 -18.315 -31.322 1.00 12.20 H new ATOM 0 HB2 TRP A 74 10.444 -20.743 -32.975 1.00 50.12 H new ATOM 0 HB3 TRP A 74 12.044 -20.521 -32.297 1.00 50.12 H new ATOM 0 HD1 TRP A 74 8.533 -21.602 -31.348 1.00 54.41 H new ATOM 0 HE1 TRP A 74 8.467 -22.383 -28.883 1.00 41.32 H new ATOM 0 HE3 TRP A 74 13.179 -20.011 -29.933 1.00 73.11 H new ATOM 0 HZ2 TRP A 74 10.197 -22.312 -26.665 1.00 32.40 H new ATOM 0 HZ3 TRP A 74 13.906 -20.402 -27.613 1.00 32.22 H new ATOM 0 HH2 TRP A 74 12.432 -21.540 -26.002 1.00 52.42 H new ATOM 1164 N VAL A 75 12.461 -17.287 -33.195 1.00 42.22 N ATOM 1165 CA VAL A 75 13.227 -16.673 -34.273 1.00 53.15 C ATOM 1166 C VAL A 75 14.722 -16.893 -34.078 1.00 42.43 C ATOM 1167 O VAL A 75 15.162 -17.358 -33.026 1.00 15.11 O ATOM 1168 CB VAL A 75 12.949 -15.161 -34.368 1.00 14.03 C ATOM 1169 CG1 VAL A 75 11.471 -14.904 -34.618 1.00 25.31 C ATOM 1170 CG2 VAL A 75 13.415 -14.454 -33.105 1.00 33.52 C ATOM 0 H VAL A 75 12.703 -16.952 -32.263 1.00 42.22 H new ATOM 0 HA VAL A 75 12.910 -17.152 -35.200 1.00 53.15 H new ATOM 0 HB VAL A 75 13.511 -14.758 -35.211 1.00 14.03 H new ATOM 0 HG11 VAL A 75 11.294 -13.830 -34.682 1.00 25.31 H new ATOM 0 HG12 VAL A 75 11.172 -15.377 -35.553 1.00 25.31 H new ATOM 0 HG13 VAL A 75 10.886 -15.320 -33.798 1.00 25.31 H new ATOM 0 HG21 VAL A 75 13.211 -13.387 -33.189 1.00 33.52 H new ATOM 0 HG22 VAL A 75 12.883 -14.858 -32.244 1.00 33.52 H new ATOM 0 HG23 VAL A 75 14.486 -14.610 -32.975 1.00 33.52 H new ATOM 1180 N HIS A 76 15.502 -16.556 -35.100 1.00 54.12 N ATOM 1181 CA HIS A 76 16.951 -16.714 -35.042 1.00 10.02 C ATOM 1182 C HIS A 76 17.646 -15.696 -35.940 1.00 43.22 C ATOM 1183 O HIS A 76 17.052 -15.181 -36.887 1.00 33.44 O ATOM 1184 CB HIS A 76 17.347 -18.132 -35.458 1.00 62.13 C ATOM 1185 CG HIS A 76 17.184 -18.394 -36.924 1.00 63.23 C ATOM 1186 ND1 HIS A 76 16.168 -19.170 -37.441 1.00 33.14 N ATOM 1187 CD2 HIS A 76 17.913 -17.976 -37.984 1.00 1.42 C ATOM 1188 CE1 HIS A 76 16.281 -19.220 -38.756 1.00 52.22 C ATOM 1189 NE2 HIS A 76 17.333 -18.503 -39.111 1.00 14.42 N ATOM 0 H HIS A 76 15.155 -16.172 -35.979 1.00 54.12 H new ATOM 0 HA HIS A 76 17.269 -16.542 -34.014 1.00 10.02 H new ATOM 0 HB2 HIS A 76 18.386 -18.307 -35.179 1.00 62.13 H new ATOM 0 HB3 HIS A 76 16.743 -18.848 -34.900 1.00 62.13 H new ATOM 0 HD2 HIS A 76 18.789 -17.345 -37.950 1.00 1.42 H new ATOM 0 HE1 HIS A 76 15.626 -19.755 -39.427 1.00 52.22 H new ATOM 0 HE2 HIS A 76 17.661 -18.364 -40.067 1.00 14.42 H new ATOM 1197 N ASP A 77 18.907 -15.409 -35.635 1.00 61.11 N ATOM 1198 CA ASP A 77 19.683 -14.452 -36.415 1.00 41.41 C ATOM 1199 C ASP A 77 20.563 -15.169 -37.435 1.00 24.02 C ATOM 1200 O ASP A 77 21.247 -16.145 -37.126 1.00 23.04 O ATOM 1201 CB ASP A 77 20.548 -13.592 -35.492 1.00 44.44 C ATOM 1202 CG ASP A 77 20.688 -12.168 -35.991 1.00 1.12 C ATOM 1203 OD1 ASP A 77 21.474 -11.944 -36.934 1.00 10.11 O1- ATOM 1204 OD2 ASP A 77 20.011 -11.275 -35.438 1.00 34.33 O ATOM 0 H ASP A 77 19.413 -15.825 -34.853 1.00 61.11 H new ATOM 0 HA ASP A 77 18.986 -13.808 -36.952 1.00 41.41 H new ATOM 0 HB2 ASP A 77 20.111 -13.583 -34.494 1.00 44.44 H new ATOM 0 HB3 ASP A 77 21.537 -14.041 -35.403 1.00 44.44 H new ATOM 1209 N PRO A 78 20.546 -14.675 -38.682 1.00 15.43 N ATOM 1210 CA PRO A 78 21.336 -15.252 -39.773 1.00 4.43 C ATOM 1211 C PRO A 78 22.832 -15.015 -39.595 1.00 61.31 C ATOM 1212 O PRO A 78 23.656 -15.742 -40.151 1.00 23.50 O ATOM 1213 CB PRO A 78 20.823 -14.515 -41.013 1.00 61.03 C ATOM 1214 CG PRO A 78 20.300 -13.221 -40.494 1.00 70.11 C ATOM 1215 CD PRO A 78 19.754 -13.514 -39.122 1.00 31.15 C ATOM 0 HA PRO A 78 21.224 -16.335 -39.827 1.00 4.43 H new ATOM 0 HB2 PRO A 78 21.621 -14.357 -41.738 1.00 61.03 H new ATOM 0 HB3 PRO A 78 20.042 -15.084 -41.517 1.00 61.03 H new ATOM 0 HG2 PRO A 78 21.090 -12.471 -40.448 1.00 70.11 H new ATOM 0 HG3 PRO A 78 19.522 -12.825 -41.147 1.00 70.11 H new ATOM 0 HD2 PRO A 78 19.878 -12.665 -38.450 1.00 31.15 H new ATOM 0 HD3 PRO A 78 18.689 -13.743 -39.154 1.00 31.15 H new ATOM 1223 N SER A 79 23.176 -13.995 -38.815 1.00 34.01 N ATOM 1224 CA SER A 79 24.574 -13.661 -38.567 1.00 21.01 C ATOM 1225 C SER A 79 25.207 -14.657 -37.601 1.00 1.21 C ATOM 1226 O SER A 79 26.409 -14.911 -37.655 1.00 44.53 O ATOM 1227 CB SER A 79 24.688 -12.242 -38.003 1.00 32.35 C ATOM 1228 OG SER A 79 24.808 -11.288 -39.042 1.00 23.51 O ATOM 0 H SER A 79 22.507 -13.386 -38.344 1.00 34.01 H new ATOM 0 HA SER A 79 25.109 -13.712 -39.515 1.00 21.01 H new ATOM 0 HB2 SER A 79 23.810 -12.016 -37.398 1.00 32.35 H new ATOM 0 HB3 SER A 79 25.554 -12.178 -37.344 1.00 32.35 H new ATOM 0 HG SER A 79 24.877 -10.390 -38.655 1.00 23.51 H new ATOM 1234 N GLU A 80 24.387 -15.218 -36.717 1.00 41.40 N ATOM 1235 CA GLU A 80 24.867 -16.187 -35.738 1.00 72.34 C ATOM 1236 C GLU A 80 24.988 -17.574 -36.360 1.00 21.05 C ATOM 1237 O GLU A 80 24.391 -17.873 -37.395 1.00 74.53 O ATOM 1238 CB GLU A 80 23.925 -16.237 -34.533 1.00 2.30 C ATOM 1239 CG GLU A 80 24.264 -15.221 -33.455 1.00 10.13 C ATOM 1240 CD GLU A 80 25.690 -15.352 -32.957 1.00 3.42 C ATOM 1241 OE1 GLU A 80 25.915 -16.115 -31.993 1.00 21.22 O1- ATOM 1242 OE2 GLU A 80 26.581 -14.692 -33.531 1.00 15.10 O ATOM 0 H GLU A 80 23.388 -15.018 -36.659 1.00 41.40 H new ATOM 0 HA GLU A 80 25.855 -15.870 -35.405 1.00 72.34 H new ATOM 0 HB2 GLU A 80 22.904 -16.067 -34.873 1.00 2.30 H new ATOM 0 HB3 GLU A 80 23.954 -17.237 -34.100 1.00 2.30 H new ATOM 0 HG2 GLU A 80 24.111 -14.216 -33.848 1.00 10.13 H new ATOM 0 HG3 GLU A 80 23.578 -15.344 -32.617 1.00 10.13 H new ATOM 1249 N PRO A 81 25.780 -18.445 -35.716 1.00 13.13 N ATOM 1250 CA PRO A 81 25.999 -19.815 -36.187 1.00 34.44 C ATOM 1251 C PRO A 81 24.755 -20.685 -36.037 1.00 52.34 C ATOM 1252 O PRO A 81 24.626 -21.439 -35.072 1.00 32.21 O ATOM 1253 CB PRO A 81 27.122 -20.327 -35.281 1.00 71.33 C ATOM 1254 CG PRO A 81 27.008 -19.511 -34.040 1.00 70.53 C ATOM 1255 CD PRO A 81 26.523 -18.157 -34.477 1.00 61.31 C ATOM 0 HA PRO A 81 26.242 -19.847 -37.249 1.00 34.44 H new ATOM 0 HB2 PRO A 81 27.006 -21.390 -35.068 1.00 71.33 H new ATOM 0 HB3 PRO A 81 28.098 -20.201 -35.750 1.00 71.33 H new ATOM 0 HG2 PRO A 81 26.311 -19.966 -33.336 1.00 70.53 H new ATOM 0 HG3 PRO A 81 27.970 -19.436 -33.533 1.00 70.53 H new ATOM 0 HD2 PRO A 81 25.884 -17.696 -33.723 1.00 61.31 H new ATOM 0 HD3 PRO A 81 27.351 -17.471 -34.655 1.00 61.31 H new ATOM 1263 N VAL A 82 23.843 -20.577 -36.997 1.00 53.33 N ATOM 1264 CA VAL A 82 22.611 -21.355 -36.973 1.00 75.02 C ATOM 1265 C VAL A 82 22.776 -22.670 -37.727 1.00 72.11 C ATOM 1266 O VAL A 82 23.697 -22.826 -38.529 1.00 30.20 O ATOM 1267 CB VAL A 82 21.438 -20.567 -37.586 1.00 12.11 C ATOM 1268 CG1 VAL A 82 21.179 -19.294 -36.796 1.00 54.42 C ATOM 1269 CG2 VAL A 82 21.715 -20.251 -39.048 1.00 55.33 C ATOM 0 H VAL A 82 23.934 -19.957 -37.802 1.00 53.33 H new ATOM 0 HA VAL A 82 22.390 -21.566 -35.927 1.00 75.02 H new ATOM 0 HB VAL A 82 20.542 -21.185 -37.536 1.00 12.11 H new ATOM 0 HG11 VAL A 82 20.347 -18.751 -37.244 1.00 54.42 H new ATOM 0 HG12 VAL A 82 20.933 -19.549 -35.765 1.00 54.42 H new ATOM 0 HG13 VAL A 82 22.071 -18.668 -36.812 1.00 54.42 H new ATOM 0 HG21 VAL A 82 20.876 -19.694 -39.465 1.00 55.33 H new ATOM 0 HG22 VAL A 82 22.622 -19.652 -39.125 1.00 55.33 H new ATOM 0 HG23 VAL A 82 21.845 -21.180 -39.603 1.00 55.33 H new ATOM 1279 N VAL A 83 21.876 -23.612 -37.466 1.00 45.51 N ATOM 1280 CA VAL A 83 21.920 -24.914 -38.121 1.00 23.24 C ATOM 1281 C VAL A 83 20.543 -25.568 -38.137 1.00 60.32 C ATOM 1282 O VAL A 83 19.811 -25.524 -37.149 1.00 51.55 O ATOM 1283 CB VAL A 83 22.917 -25.860 -37.424 1.00 54.51 C ATOM 1284 CG1 VAL A 83 22.537 -26.056 -35.965 1.00 32.22 C ATOM 1285 CG2 VAL A 83 22.982 -27.194 -38.152 1.00 63.11 C ATOM 0 H VAL A 83 21.107 -23.498 -36.805 1.00 45.51 H new ATOM 0 HA VAL A 83 22.249 -24.742 -39.146 1.00 23.24 H new ATOM 0 HB VAL A 83 23.907 -25.406 -37.457 1.00 54.51 H new ATOM 0 HG11 VAL A 83 23.253 -26.727 -35.490 1.00 32.22 H new ATOM 0 HG12 VAL A 83 22.547 -25.093 -35.454 1.00 32.22 H new ATOM 0 HG13 VAL A 83 21.538 -26.488 -35.904 1.00 32.22 H new ATOM 0 HG21 VAL A 83 23.691 -27.850 -37.647 1.00 63.11 H new ATOM 0 HG22 VAL A 83 21.995 -27.657 -38.152 1.00 63.11 H new ATOM 0 HG23 VAL A 83 23.307 -27.032 -39.180 1.00 63.11 H new ATOM 1377 N ILE A 90 15.408 -24.566 -37.356 1.00 10.10 N ATOM 1378 CA ILE A 90 16.652 -23.807 -37.289 1.00 62.35 C ATOM 1379 C ILE A 90 16.939 -23.349 -35.863 1.00 75.12 C ATOM 1380 O ILE A 90 16.070 -22.798 -35.191 1.00 35.51 O ATOM 1381 CB ILE A 90 16.611 -22.577 -38.214 1.00 41.43 C ATOM 1382 CG1 ILE A 90 16.156 -22.982 -39.617 1.00 0.30 C ATOM 1383 CG2 ILE A 90 17.977 -21.908 -38.266 1.00 75.22 C ATOM 1384 CD1 ILE A 90 17.127 -23.901 -40.325 1.00 52.12 C ATOM 0 HA ILE A 90 17.448 -24.474 -37.621 1.00 62.35 H new ATOM 0 HB ILE A 90 15.893 -21.862 -37.812 1.00 41.43 H new ATOM 0 HG12 ILE A 90 15.186 -23.475 -39.548 1.00 0.30 H new ATOM 0 HG13 ILE A 90 16.015 -22.084 -40.218 1.00 0.30 H new ATOM 0 HG21 ILE A 90 17.932 -21.040 -38.924 1.00 75.22 H new ATOM 0 HG22 ILE A 90 18.264 -21.589 -37.264 1.00 75.22 H new ATOM 0 HG23 ILE A 90 18.714 -22.615 -38.647 1.00 75.22 H new ATOM 0 HD11 ILE A 90 16.740 -24.147 -41.314 1.00 52.12 H new ATOM 0 HD12 ILE A 90 18.091 -23.403 -40.426 1.00 52.12 H new ATOM 0 HD13 ILE A 90 17.250 -24.816 -39.746 1.00 52.12 H new ATOM 1396 N ASN A 91 18.168 -23.579 -35.410 1.00 74.31 N ATOM 1397 CA ASN A 91 18.571 -23.188 -34.065 1.00 40.23 C ATOM 1398 C ASN A 91 19.979 -22.599 -34.068 1.00 12.32 C ATOM 1399 O ASN A 91 20.779 -22.883 -34.959 1.00 61.32 O ATOM 1400 CB ASN A 91 18.512 -24.392 -33.121 1.00 75.11 C ATOM 1401 CG ASN A 91 18.880 -25.688 -33.817 1.00 53.20 C ATOM 1402 OD1 ASN A 91 18.115 -26.208 -34.630 1.00 42.42 O ATOM 1403 ND2 ASN A 91 20.055 -26.218 -33.498 1.00 13.21 N ATOM 0 H ASN A 91 18.901 -24.034 -35.955 1.00 74.31 H new ATOM 0 HA ASN A 91 17.877 -22.424 -33.713 1.00 40.23 H new ATOM 0 HB2 ASN A 91 19.189 -24.227 -32.283 1.00 75.11 H new ATOM 0 HB3 ASN A 91 17.507 -24.477 -32.707 1.00 75.11 H new ATOM 0 HD21 ASN A 91 20.356 -27.091 -33.932 1.00 13.21 H new ATOM 0 HD22 ASN A 91 20.657 -25.752 -32.819 1.00 13.21 H new ATOM 1410 N ASN A 92 20.274 -21.778 -33.065 1.00 4.32 N ATOM 1411 CA ASN A 92 21.585 -21.150 -32.952 1.00 54.51 C ATOM 1412 C ASN A 92 22.606 -22.121 -32.368 1.00 33.33 C ATOM 1413 O ASN A 92 22.262 -23.235 -31.968 1.00 14.13 O ATOM 1414 CB ASN A 92 21.499 -19.896 -32.080 1.00 61.45 C ATOM 1415 CG ASN A 92 20.693 -18.790 -32.733 1.00 60.54 C ATOM 1416 OD1 ASN A 92 19.621 -18.421 -32.253 1.00 53.33 O ATOM 1417 ND2 ASN A 92 21.207 -18.257 -33.835 1.00 23.44 N ATOM 0 H ASN A 92 19.623 -21.532 -32.319 1.00 4.32 H new ATOM 0 HA ASN A 92 21.912 -20.867 -33.953 1.00 54.51 H new ATOM 0 HB2 ASN A 92 21.047 -20.154 -31.122 1.00 61.45 H new ATOM 0 HB3 ASN A 92 22.505 -19.533 -31.871 1.00 61.45 H new ATOM 0 HD21 ASN A 92 20.710 -17.510 -34.320 1.00 23.44 H new ATOM 0 HD22 ASN A 92 22.099 -18.595 -34.197 1.00 23.44 H new ATOM 1424 N LEU A 93 23.862 -21.693 -32.321 1.00 32.05 N ATOM 1425 CA LEU A 93 24.934 -22.524 -31.783 1.00 34.14 C ATOM 1426 C LEU A 93 25.833 -21.718 -30.851 1.00 2.14 C ATOM 1427 O LEU A 93 26.199 -20.582 -31.154 1.00 5.21 O ATOM 1428 CB LEU A 93 25.765 -23.117 -32.923 1.00 74.14 C ATOM 1429 CG LEU A 93 26.981 -23.945 -32.506 1.00 42.32 C ATOM 1430 CD1 LEU A 93 26.560 -25.107 -31.621 1.00 3.13 C ATOM 1431 CD2 LEU A 93 27.729 -24.449 -33.732 1.00 72.43 C ATOM 0 H LEU A 93 24.164 -20.775 -32.649 1.00 32.05 H new ATOM 0 HA LEU A 93 24.481 -23.333 -31.210 1.00 34.14 H new ATOM 0 HB2 LEU A 93 25.114 -23.745 -33.532 1.00 74.14 H new ATOM 0 HB3 LEU A 93 26.107 -22.301 -33.559 1.00 74.14 H new ATOM 0 HG LEU A 93 27.652 -23.305 -31.933 1.00 42.32 H new ATOM 0 HD11 LEU A 93 27.440 -25.684 -31.335 1.00 3.13 H new ATOM 0 HD12 LEU A 93 26.071 -24.724 -30.726 1.00 3.13 H new ATOM 0 HD13 LEU A 93 25.868 -25.748 -32.167 1.00 3.13 H new ATOM 0 HD21 LEU A 93 28.591 -25.036 -33.416 1.00 72.43 H new ATOM 0 HD22 LEU A 93 27.066 -25.072 -34.332 1.00 72.43 H new ATOM 0 HD23 LEU A 93 28.066 -23.600 -34.327 1.00 72.43 H new ATOM 1443 N ILE A 94 26.186 -22.315 -29.717 1.00 14.30 N ATOM 1444 CA ILE A 94 27.044 -21.653 -28.742 1.00 21.03 C ATOM 1445 C ILE A 94 28.167 -22.578 -28.281 1.00 2.32 C ATOM 1446 O ILE A 94 27.980 -23.790 -28.167 1.00 25.24 O ATOM 1447 CB ILE A 94 26.242 -21.186 -27.513 1.00 25.21 C ATOM 1448 CG1 ILE A 94 27.162 -20.477 -26.516 1.00 25.24 C ATOM 1449 CG2 ILE A 94 25.548 -22.367 -26.852 1.00 53.44 C ATOM 1450 CD1 ILE A 94 26.536 -19.256 -25.878 1.00 45.44 C ATOM 0 H ILE A 94 25.891 -23.255 -29.451 1.00 14.30 H new ATOM 0 HA ILE A 94 27.474 -20.783 -29.238 1.00 21.03 H new ATOM 0 HB ILE A 94 25.480 -20.480 -27.843 1.00 25.21 H new ATOM 0 HG12 ILE A 94 27.447 -21.180 -25.733 1.00 25.24 H new ATOM 0 HG13 ILE A 94 28.078 -20.181 -27.027 1.00 25.24 H new ATOM 0 HG21 ILE A 94 24.986 -22.020 -25.985 1.00 53.44 H new ATOM 0 HG22 ILE A 94 24.867 -22.833 -27.564 1.00 53.44 H new ATOM 0 HG23 ILE A 94 26.294 -23.095 -26.533 1.00 53.44 H new ATOM 0 HD11 ILE A 94 27.245 -18.805 -25.183 1.00 45.44 H new ATOM 0 HD12 ILE A 94 26.277 -18.534 -26.652 1.00 45.44 H new ATOM 0 HD13 ILE A 94 25.635 -19.549 -25.338 1.00 45.44 H new ATOM 1462 N HIS A 95 29.333 -21.997 -28.016 1.00 34.15 N ATOM 1463 CA HIS A 95 30.485 -22.768 -27.566 1.00 64.32 C ATOM 1464 C HIS A 95 31.091 -22.154 -26.308 1.00 64.02 C ATOM 1465 O HIS A 95 31.694 -21.082 -26.356 1.00 35.41 O ATOM 1466 CB HIS A 95 31.540 -22.841 -28.671 1.00 24.45 C ATOM 1467 CG HIS A 95 30.966 -23.085 -30.032 1.00 31.14 C ATOM 1468 ND1 HIS A 95 30.618 -22.067 -30.895 1.00 4.01 N ATOM 1469 CD2 HIS A 95 30.680 -24.240 -30.679 1.00 34.13 C ATOM 1470 CE1 HIS A 95 30.142 -22.586 -32.014 1.00 5.54 C ATOM 1471 NE2 HIS A 95 30.169 -23.901 -31.908 1.00 74.23 N ATOM 0 H HIS A 95 29.504 -20.995 -28.105 1.00 34.15 H new ATOM 0 HA HIS A 95 30.146 -23.777 -27.330 1.00 64.32 H new ATOM 0 HB2 HIS A 95 32.104 -21.908 -28.686 1.00 24.45 H new ATOM 0 HB3 HIS A 95 32.246 -23.637 -28.436 1.00 24.45 H new ATOM 0 HD1 HIS A 95 30.713 -21.070 -30.701 1.00 4.01 H new ATOM 0 HD2 HIS A 95 30.826 -25.240 -30.299 1.00 34.13 H new ATOM 0 HE1 HIS A 95 29.791 -22.028 -32.870 1.00 5.54 H new ATOM 1479 N VAL A 96 30.926 -22.841 -25.181 1.00 71.10 N ATOM 1480 CA VAL A 96 31.457 -22.363 -23.910 1.00 11.24 C ATOM 1481 C VAL A 96 32.751 -23.084 -23.549 1.00 23.32 C ATOM 1482 O VAL A 96 32.909 -24.274 -23.822 1.00 52.24 O ATOM 1483 CB VAL A 96 30.440 -22.556 -22.769 1.00 22.23 C ATOM 1484 CG1 VAL A 96 31.047 -22.143 -21.438 1.00 42.13 C ATOM 1485 CG2 VAL A 96 29.169 -21.769 -23.051 1.00 41.02 C ATOM 0 H VAL A 96 30.429 -23.730 -25.123 1.00 71.10 H new ATOM 0 HA VAL A 96 31.659 -21.299 -24.031 1.00 11.24 H new ATOM 0 HB VAL A 96 30.181 -23.613 -22.711 1.00 22.23 H new ATOM 0 HG11 VAL A 96 30.314 -22.286 -20.644 1.00 42.13 H new ATOM 0 HG12 VAL A 96 31.927 -22.753 -21.234 1.00 42.13 H new ATOM 0 HG13 VAL A 96 31.336 -21.093 -21.480 1.00 42.13 H new ATOM 0 HG21 VAL A 96 28.461 -21.916 -22.235 1.00 41.02 H new ATOM 0 HG22 VAL A 96 29.409 -20.709 -23.136 1.00 41.02 H new ATOM 0 HG23 VAL A 96 28.725 -22.117 -23.984 1.00 41.02 H new