USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 836 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 81 ASN :FLIP amide:sc= -2.14 F(o=-9.8!,f=-7.9) USER MOD Set 1.2: A 98 HIS :FLIP no HD1:sc= -6.89! C(o=-10!,f=-7.9!) USER MOD Set 1.3: A 106 TYR OH : rot -87:sc= 1.09 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -17:sc= 0.35 USER MOD Single : A 27 ASN : amide:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 33 CYS SG : rot -130:sc= -3.02 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -71:sc= 1.06 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -133:sc= -0.0188 (180deg=-0.241) USER MOD Single : A 49 TYR OH : rot -150:sc= -1.3 USER MOD Single : A 56 THR OG1 : rot 113:sc= 0.545 USER MOD Single : A 59 GLN : amide:sc= -0.731 K(o=-0.73,f=-1.5!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 159:sc= -0.101 (180deg=-0.693) USER MOD Single : A 74 LYS NZ :NH3+ 157:sc= -0.0343 (180deg=-0.257) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -3.49! USER MOD Single : A 91 MET CE :methyl -165:sc=-0.00976 (180deg=-0.309) USER MOD Single : A 92 SER OG : rot 160:sc= -0.174 USER MOD Single : A 95 TYR OH : rot 34:sc= 0.974 USER MOD Single : A 96 GLN : amide:sc= -1.02 X(o=-1,f=-1.1) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot -15:sc= 0.0541! USER MOD Single : A 109 TYR OH : rot 30:sc= -0.543 USER MOD Single : A 110 SER OG : rot -61:sc= 0.0821 USER MOD Single : A 113 ASN : amide:sc= -0.928 K(o=-0.93,f=-2.2!) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.436 USER MOD ----------------------------------------------------------------- ATOM 224 N ARG A 14 12.679 8.571 -12.185 1.00 11.23 N ATOM 225 CA ARG A 14 13.854 8.177 -11.427 1.00 23.12 C ATOM 226 C ARG A 14 15.089 8.165 -12.330 1.00 41.41 C ATOM 227 O ARG A 14 16.122 8.735 -11.982 1.00 64.02 O ATOM 228 CB ARG A 14 13.671 6.790 -10.808 1.00 32.22 C ATOM 229 CG ARG A 14 13.475 5.727 -11.891 1.00 51.54 C ATOM 230 CD ARG A 14 12.937 4.426 -11.293 1.00 13.44 C ATOM 231 NE ARG A 14 13.819 3.971 -10.195 1.00 11.52 N ATOM 232 CZ ARG A 14 13.443 3.102 -9.233 1.00 22.01 C ATOM 233 NH1 ARG A 14 12.196 2.585 -9.225 1.00 41.25 N ATOM 234 NH2 ARG A 14 14.314 2.765 -8.300 1.00 34.24 N ATOM 0 HA ARG A 14 13.991 8.905 -10.627 1.00 23.12 H new ATOM 0 HB2 ARG A 14 14.542 6.541 -10.202 1.00 32.22 H new ATOM 0 HB3 ARG A 14 12.810 6.797 -10.140 1.00 32.22 H new ATOM 0 HG2 ARG A 14 12.783 6.097 -12.647 1.00 51.54 H new ATOM 0 HG3 ARG A 14 14.423 5.535 -12.393 1.00 51.54 H new ATOM 0 HD2 ARG A 14 11.925 4.580 -10.918 1.00 13.44 H new ATOM 0 HD3 ARG A 14 12.878 3.659 -12.065 1.00 13.44 H new ATOM 0 HE ARG A 14 14.771 4.337 -10.163 1.00 11.52 H new ATOM 0 HH11 ARG A 14 11.529 2.850 -9.950 1.00 41.25 H new ATOM 0 HH12 ARG A 14 11.921 1.929 -8.494 1.00 41.25 H new ATOM 0 HH21 ARG A 14 15.254 3.160 -8.314 1.00 34.24 H new ATOM 0 HH22 ARG A 14 14.047 2.110 -7.566 1.00 34.24 H new ATOM 247 N LYS A 15 14.941 7.511 -13.472 1.00 63.34 N ATOM 248 CA LYS A 15 16.032 7.418 -14.428 1.00 73.42 C ATOM 249 C LYS A 15 16.645 8.804 -14.632 1.00 51.44 C ATOM 250 O LYS A 15 17.852 8.930 -14.832 1.00 61.11 O ATOM 251 CB LYS A 15 15.554 6.760 -15.724 1.00 75.31 C ATOM 252 CG LYS A 15 16.441 7.163 -16.904 1.00 31.24 C ATOM 253 CD LYS A 15 16.041 6.408 -18.173 1.00 45.43 C ATOM 254 CE LYS A 15 16.772 6.967 -19.396 1.00 25.12 C ATOM 255 NZ LYS A 15 18.124 6.374 -19.507 1.00 40.00 N ATOM 0 H LYS A 15 14.082 7.040 -13.757 1.00 63.34 H new ATOM 0 HA LYS A 15 16.822 6.773 -14.043 1.00 73.42 H new ATOM 0 HB2 LYS A 15 15.564 5.676 -15.611 1.00 75.31 H new ATOM 0 HB3 LYS A 15 14.523 7.050 -15.924 1.00 75.31 H new ATOM 0 HG2 LYS A 15 16.360 8.237 -17.074 1.00 31.24 H new ATOM 0 HG3 LYS A 15 17.484 6.956 -16.667 1.00 31.24 H new ATOM 0 HD2 LYS A 15 16.273 5.349 -18.059 1.00 45.43 H new ATOM 0 HD3 LYS A 15 14.964 6.485 -18.322 1.00 45.43 H new ATOM 0 HE2 LYS A 15 16.199 6.753 -20.299 1.00 25.12 H new ATOM 0 HE3 LYS A 15 16.849 8.051 -19.317 1.00 25.12 H new ATOM 0 HZ1 LYS A 15 18.607 6.764 -20.342 1.00 40.00 H new ATOM 0 HZ2 LYS A 15 18.673 6.599 -18.653 1.00 40.00 H new ATOM 0 HZ3 LYS A 15 18.043 5.342 -19.604 1.00 40.00 H new ATOM 268 N ALA A 16 15.785 9.811 -14.575 1.00 61.34 N ATOM 269 CA ALA A 16 16.227 11.184 -14.752 1.00 21.33 C ATOM 270 C ALA A 16 16.916 11.661 -13.472 1.00 5.20 C ATOM 271 O ALA A 16 17.976 12.283 -13.528 1.00 63.15 O ATOM 272 CB ALA A 16 15.032 12.060 -15.132 1.00 10.01 C ATOM 0 H ALA A 16 14.784 9.703 -14.409 1.00 61.34 H new ATOM 0 HA ALA A 16 16.952 11.253 -15.563 1.00 21.33 H new ATOM 0 HB1 ALA A 16 15.363 13.090 -15.265 1.00 10.01 H new ATOM 0 HB2 ALA A 16 14.596 11.696 -16.062 1.00 10.01 H new ATOM 0 HB3 ALA A 16 14.284 12.019 -14.340 1.00 10.01 H new ATOM 278 N GLU A 17 16.287 11.352 -12.348 1.00 13.20 N ATOM 279 CA GLU A 17 16.826 11.742 -11.056 1.00 63.04 C ATOM 280 C GLU A 17 18.315 11.397 -10.977 1.00 32.12 C ATOM 281 O GLU A 17 19.128 12.229 -10.578 1.00 0.10 O ATOM 282 CB GLU A 17 16.049 11.082 -9.916 1.00 11.23 C ATOM 283 CG GLU A 17 16.250 11.843 -8.603 1.00 61.53 C ATOM 284 CD GLU A 17 15.076 11.611 -7.650 1.00 53.52 C ATOM 285 OE1 GLU A 17 13.915 11.608 -8.086 1.00 52.32 O ATOM 286 OE2 GLU A 17 15.403 11.430 -6.416 1.00 30.52 O ATOM 0 H GLU A 17 15.408 10.836 -12.305 1.00 13.20 H new ATOM 0 HA GLU A 17 16.716 12.821 -10.949 1.00 63.04 H new ATOM 0 HB2 GLU A 17 14.988 11.051 -10.164 1.00 11.23 H new ATOM 0 HB3 GLU A 17 16.378 10.050 -9.796 1.00 11.23 H new ATOM 0 HG2 GLU A 17 17.177 11.520 -8.129 1.00 61.53 H new ATOM 0 HG3 GLU A 17 16.352 12.909 -8.808 1.00 61.53 H new ATOM 294 N SER A 18 18.626 10.168 -11.363 1.00 2.41 N ATOM 295 CA SER A 18 20.003 9.703 -11.340 1.00 55.13 C ATOM 296 C SER A 18 20.865 10.575 -12.255 1.00 11.31 C ATOM 297 O SER A 18 21.961 10.985 -11.875 1.00 54.42 O ATOM 298 CB SER A 18 20.095 8.236 -11.764 1.00 51.05 C ATOM 299 OG SER A 18 19.425 7.994 -12.999 1.00 23.01 O ATOM 0 H SER A 18 17.949 9.480 -11.693 1.00 2.41 H new ATOM 0 HA SER A 18 20.374 9.782 -10.318 1.00 55.13 H new ATOM 0 HB2 SER A 18 21.143 7.951 -11.858 1.00 51.05 H new ATOM 0 HB3 SER A 18 19.662 7.606 -10.987 1.00 51.05 H new ATOM 0 HG SER A 18 18.823 8.742 -13.196 1.00 23.01 H new ATOM 305 N GLU A 19 20.338 10.833 -13.443 1.00 14.33 N ATOM 306 CA GLU A 19 21.045 11.649 -14.414 1.00 43.45 C ATOM 307 C GLU A 19 21.497 12.964 -13.775 1.00 52.13 C ATOM 308 O GLU A 19 22.488 13.556 -14.199 1.00 2.10 O ATOM 309 CB GLU A 19 20.178 11.909 -15.648 1.00 22.21 C ATOM 310 CG GLU A 19 19.912 10.611 -16.414 1.00 1.31 C ATOM 311 CD GLU A 19 21.052 10.306 -17.388 1.00 20.02 C ATOM 312 OE1 GLU A 19 21.669 11.234 -17.931 1.00 12.51 O ATOM 313 OE2 GLU A 19 21.290 9.052 -17.572 1.00 64.41 O ATOM 0 H GLU A 19 19.429 10.491 -13.755 1.00 14.33 H new ATOM 0 HA GLU A 19 21.930 11.103 -14.741 1.00 43.45 H new ATOM 0 HB2 GLU A 19 19.232 12.357 -15.344 1.00 22.21 H new ATOM 0 HB3 GLU A 19 20.675 12.626 -16.302 1.00 22.21 H new ATOM 0 HG2 GLU A 19 19.799 9.786 -15.711 1.00 1.31 H new ATOM 0 HG3 GLU A 19 18.973 10.694 -16.962 1.00 1.31 H new ATOM 321 N ARG A 20 20.747 13.382 -12.766 1.00 4.32 N ATOM 322 CA ARG A 20 21.058 14.616 -12.064 1.00 41.10 C ATOM 323 C ARG A 20 22.173 14.380 -11.043 1.00 34.43 C ATOM 324 O ARG A 20 23.214 15.031 -11.094 1.00 4.55 O ATOM 325 CB ARG A 20 19.825 15.166 -11.345 1.00 11.13 C ATOM 326 CG ARG A 20 18.750 15.591 -12.347 1.00 11.50 C ATOM 327 CD ARG A 20 17.401 15.791 -11.653 1.00 2.35 C ATOM 328 NE ARG A 20 17.603 16.409 -10.323 1.00 22.11 N ATOM 329 CZ ARG A 20 18.025 17.677 -10.134 1.00 4.23 C ATOM 330 NH1 ARG A 20 18.294 18.474 -11.189 1.00 43.54 N ATOM 331 NH2 ARG A 20 18.172 18.126 -8.901 1.00 34.11 N ATOM 0 H ARG A 20 19.925 12.888 -12.418 1.00 4.32 H new ATOM 0 HA ARG A 20 21.388 15.345 -12.805 1.00 41.10 H new ATOM 0 HB2 ARG A 20 19.422 14.407 -10.674 1.00 11.13 H new ATOM 0 HB3 ARG A 20 20.109 16.018 -10.728 1.00 11.13 H new ATOM 0 HG2 ARG A 20 19.051 16.516 -12.838 1.00 11.50 H new ATOM 0 HG3 ARG A 20 18.654 14.834 -13.125 1.00 11.50 H new ATOM 0 HD2 ARG A 20 16.759 16.425 -12.264 1.00 2.35 H new ATOM 0 HD3 ARG A 20 16.893 14.833 -11.545 1.00 2.35 H new ATOM 0 HE ARG A 20 17.411 15.841 -9.498 1.00 22.11 H new ATOM 0 HH11 ARG A 20 18.179 18.119 -12.138 1.00 43.54 H new ATOM 0 HH12 ARG A 20 18.612 19.431 -11.037 1.00 43.54 H new ATOM 0 HH21 ARG A 20 17.968 17.517 -8.109 1.00 34.11 H new ATOM 0 HH22 ARG A 20 18.490 19.082 -8.741 1.00 34.11 H new ATOM 344 N ILE A 21 21.915 13.445 -10.139 1.00 42.33 N ATOM 345 CA ILE A 21 22.884 13.115 -9.108 1.00 33.23 C ATOM 346 C ILE A 21 24.206 12.715 -9.765 1.00 41.01 C ATOM 347 O ILE A 21 25.258 12.761 -9.129 1.00 62.34 O ATOM 348 CB ILE A 21 22.319 12.051 -8.164 1.00 64.53 C ATOM 349 CG1 ILE A 21 21.376 12.675 -7.134 1.00 43.52 C ATOM 350 CG2 ILE A 21 23.445 11.253 -7.502 1.00 14.02 C ATOM 351 CD1 ILE A 21 20.291 11.683 -6.711 1.00 4.00 C ATOM 0 H ILE A 21 21.050 12.906 -10.100 1.00 42.33 H new ATOM 0 HA ILE A 21 23.089 13.985 -8.485 1.00 33.23 H new ATOM 0 HB ILE A 21 21.730 11.349 -8.754 1.00 64.53 H new ATOM 0 HG12 ILE A 21 21.945 12.992 -6.260 1.00 43.52 H new ATOM 0 HG13 ILE A 21 20.913 13.568 -7.554 1.00 43.52 H new ATOM 0 HG21 ILE A 21 23.017 10.504 -6.836 1.00 14.02 H new ATOM 0 HG22 ILE A 21 24.041 10.759 -8.270 1.00 14.02 H new ATOM 0 HG23 ILE A 21 24.080 11.928 -6.928 1.00 14.02 H new ATOM 0 HD11 ILE A 21 19.635 12.152 -5.978 1.00 4.00 H new ATOM 0 HD12 ILE A 21 19.708 11.387 -7.583 1.00 4.00 H new ATOM 0 HD13 ILE A 21 20.756 10.802 -6.269 1.00 4.00 H new ATOM 363 N ALA A 22 24.110 12.332 -11.030 1.00 14.22 N ATOM 364 CA ALA A 22 25.285 11.925 -11.780 1.00 62.32 C ATOM 365 C ALA A 22 25.996 13.167 -12.321 1.00 10.25 C ATOM 366 O ALA A 22 27.219 13.179 -12.452 1.00 11.45 O ATOM 367 CB ALA A 22 24.871 10.960 -12.893 1.00 25.50 C ATOM 0 H ALA A 22 23.236 12.295 -11.554 1.00 14.22 H new ATOM 0 HA ALA A 22 25.988 11.398 -11.135 1.00 62.32 H new ATOM 0 HB1 ALA A 22 25.753 10.654 -13.456 1.00 25.50 H new ATOM 0 HB2 ALA A 22 24.397 10.081 -12.455 1.00 25.50 H new ATOM 0 HB3 ALA A 22 24.167 11.456 -13.562 1.00 25.50 H new ATOM 373 N ASP A 23 25.199 14.182 -12.620 1.00 1.54 N ATOM 374 CA ASP A 23 25.737 15.427 -13.143 1.00 33.03 C ATOM 375 C ASP A 23 26.345 16.236 -11.996 1.00 5.40 C ATOM 376 O ASP A 23 27.351 16.921 -12.180 1.00 30.42 O ATOM 377 CB ASP A 23 24.638 16.274 -13.788 1.00 33.34 C ATOM 378 CG ASP A 23 25.106 17.183 -14.926 1.00 32.14 C ATOM 379 OD1 ASP A 23 25.308 16.731 -16.062 1.00 73.24 O ATOM 380 OD2 ASP A 23 25.265 18.422 -14.603 1.00 65.30 O ATOM 0 H ASP A 23 24.185 14.168 -12.510 1.00 1.54 H new ATOM 0 HA ASP A 23 26.489 15.181 -13.892 1.00 33.03 H new ATOM 0 HB2 ASP A 23 23.864 15.608 -14.170 1.00 33.34 H new ATOM 0 HB3 ASP A 23 24.176 16.891 -13.017 1.00 33.34 H new ATOM 386 N ARG A 24 25.711 16.132 -10.838 1.00 35.31 N ATOM 387 CA ARG A 24 26.177 16.845 -9.661 1.00 40.53 C ATOM 388 C ARG A 24 27.274 16.046 -8.955 1.00 71.35 C ATOM 389 O ARG A 24 28.334 16.584 -8.639 1.00 54.21 O ATOM 390 CB ARG A 24 25.030 17.100 -8.681 1.00 43.41 C ATOM 391 CG ARG A 24 25.368 18.250 -7.730 1.00 15.41 C ATOM 392 CD ARG A 24 25.549 19.561 -8.498 1.00 5.45 C ATOM 393 NE ARG A 24 25.285 20.712 -7.605 1.00 22.45 N ATOM 394 CZ ARG A 24 24.051 21.160 -7.293 1.00 55.01 C ATOM 395 NH1 ARG A 24 22.954 20.557 -7.801 1.00 44.50 N ATOM 396 NH2 ARG A 24 23.931 22.197 -6.485 1.00 21.44 N ATOM 0 H ARG A 24 24.877 15.564 -10.689 1.00 35.31 H new ATOM 0 HA ARG A 24 26.577 17.804 -9.992 1.00 40.53 H new ATOM 0 HB2 ARG A 24 24.120 17.335 -9.233 1.00 43.41 H new ATOM 0 HB3 ARG A 24 24.829 16.195 -8.107 1.00 43.41 H new ATOM 0 HG2 ARG A 24 24.573 18.363 -6.993 1.00 15.41 H new ATOM 0 HG3 ARG A 24 26.280 18.017 -7.181 1.00 15.41 H new ATOM 0 HD2 ARG A 24 26.562 19.623 -8.894 1.00 5.45 H new ATOM 0 HD3 ARG A 24 24.871 19.589 -9.351 1.00 5.45 H new ATOM 0 HE ARG A 24 26.086 21.197 -7.200 1.00 22.45 H new ATOM 0 HH11 ARG A 24 23.055 19.757 -8.425 1.00 44.50 H new ATOM 0 HH12 ARG A 24 22.025 20.902 -7.560 1.00 44.50 H new ATOM 0 HH21 ARG A 24 24.764 22.648 -6.106 1.00 21.44 H new ATOM 0 HH22 ARG A 24 23.005 22.548 -6.239 1.00 21.44 H new ATOM 409 N PHE A 25 26.982 14.773 -8.729 1.00 52.44 N ATOM 410 CA PHE A 25 27.930 13.894 -8.067 1.00 1.12 C ATOM 411 C PHE A 25 27.938 12.508 -8.715 1.00 33.05 C ATOM 412 O PHE A 25 27.204 11.617 -8.291 1.00 34.33 O ATOM 413 CB PHE A 25 27.476 13.762 -6.612 1.00 30.42 C ATOM 414 CG PHE A 25 26.861 15.038 -6.033 1.00 61.33 C ATOM 415 CD1 PHE A 25 27.661 15.986 -5.476 1.00 21.34 C ATOM 416 CD2 PHE A 25 25.515 15.224 -6.077 1.00 34.24 C ATOM 417 CE1 PHE A 25 27.090 17.170 -4.939 1.00 24.24 C ATOM 418 CE2 PHE A 25 24.944 16.408 -5.540 1.00 11.05 C ATOM 419 CZ PHE A 25 25.744 17.356 -4.982 1.00 11.11 C ATOM 0 H PHE A 25 26.102 14.330 -8.993 1.00 52.44 H new ATOM 0 HA PHE A 25 28.936 14.306 -8.143 1.00 1.12 H new ATOM 0 HB2 PHE A 25 26.746 12.955 -6.542 1.00 30.42 H new ATOM 0 HB3 PHE A 25 28.331 13.473 -6.000 1.00 30.42 H new ATOM 0 HD1 PHE A 25 28.730 15.838 -5.442 1.00 21.34 H new ATOM 0 HD2 PHE A 25 24.880 14.471 -6.520 1.00 34.24 H new ATOM 0 HE1 PHE A 25 27.725 17.923 -4.496 1.00 24.24 H new ATOM 0 HE2 PHE A 25 23.875 16.556 -5.575 1.00 11.05 H new ATOM 0 HZ PHE A 25 25.310 18.256 -4.573 1.00 11.11 H new ATOM 429 N PRO A 26 28.798 12.366 -9.758 1.00 50.03 N ATOM 430 CA PRO A 26 28.911 11.104 -10.469 1.00 32.43 C ATOM 431 C PRO A 26 29.689 10.077 -9.643 1.00 10.22 C ATOM 432 O PRO A 26 29.850 8.932 -10.061 1.00 70.13 O ATOM 433 CB PRO A 26 29.594 11.451 -11.781 1.00 72.45 C ATOM 434 CG PRO A 26 30.254 12.802 -11.563 1.00 42.22 C ATOM 435 CD PRO A 26 29.683 13.400 -10.288 1.00 33.32 C ATOM 0 HA PRO A 26 27.944 10.636 -10.651 1.00 32.43 H new ATOM 0 HB2 PRO A 26 30.332 10.695 -12.049 1.00 72.45 H new ATOM 0 HB3 PRO A 26 28.873 11.496 -12.597 1.00 72.45 H new ATOM 0 HG2 PRO A 26 31.335 12.690 -11.481 1.00 42.22 H new ATOM 0 HG3 PRO A 26 30.065 13.460 -12.411 1.00 42.22 H new ATOM 0 HD2 PRO A 26 30.473 13.647 -9.578 1.00 33.32 H new ATOM 0 HD3 PRO A 26 29.138 14.321 -10.492 1.00 33.32 H new ATOM 443 N ASN A 27 30.151 10.525 -8.485 1.00 31.15 N ATOM 444 CA ASN A 27 30.908 9.660 -7.596 1.00 62.41 C ATOM 445 C ASN A 27 30.011 9.212 -6.440 1.00 42.41 C ATOM 446 O ASN A 27 30.502 8.869 -5.366 1.00 0.23 O ATOM 447 CB ASN A 27 32.111 10.396 -7.003 1.00 41.05 C ATOM 448 CG ASN A 27 32.981 11.002 -8.107 1.00 23.53 C ATOM 449 OD1 ASN A 27 33.277 12.185 -8.121 1.00 12.23 O ATOM 450 ND2 ASN A 27 33.374 10.126 -9.028 1.00 12.13 N ATOM 0 H ASN A 27 30.016 11.476 -8.142 1.00 31.15 H new ATOM 0 HA ASN A 27 31.258 8.806 -8.175 1.00 62.41 H new ATOM 0 HB2 ASN A 27 31.766 11.184 -6.333 1.00 41.05 H new ATOM 0 HB3 ASN A 27 32.705 9.706 -6.404 1.00 41.05 H new ATOM 0 HD21 ASN A 27 33.959 10.431 -9.806 1.00 12.13 H new ATOM 0 HD22 ASN A 27 33.090 9.149 -8.956 1.00 12.13 H new ATOM 457 N ARG A 28 28.712 9.231 -6.700 1.00 21.21 N ATOM 458 CA ARG A 28 27.742 8.831 -5.694 1.00 41.55 C ATOM 459 C ARG A 28 26.953 7.611 -6.173 1.00 41.23 C ATOM 460 O ARG A 28 27.210 7.087 -7.256 1.00 24.12 O ATOM 461 CB ARG A 28 26.769 9.971 -5.385 1.00 75.54 C ATOM 462 CG ARG A 28 27.474 11.109 -4.646 1.00 40.43 C ATOM 463 CD ARG A 28 28.064 10.621 -3.322 1.00 23.10 C ATOM 464 NE ARG A 28 28.051 11.717 -2.327 1.00 65.33 N ATOM 465 CZ ARG A 28 28.832 12.816 -2.402 1.00 73.11 C ATOM 466 NH1 ARG A 28 29.695 12.975 -3.428 1.00 30.13 N ATOM 467 NH2 ARG A 28 28.738 13.733 -1.457 1.00 72.22 N ATOM 0 H ARG A 28 28.308 9.517 -7.592 1.00 21.21 H new ATOM 0 HA ARG A 28 28.290 8.579 -4.786 1.00 41.55 H new ATOM 0 HB2 ARG A 28 26.338 10.347 -6.313 1.00 75.54 H new ATOM 0 HB3 ARG A 28 25.944 9.596 -4.779 1.00 75.54 H new ATOM 0 HG2 ARG A 28 28.267 11.518 -5.273 1.00 40.43 H new ATOM 0 HG3 ARG A 28 26.768 11.917 -4.457 1.00 40.43 H new ATOM 0 HD2 ARG A 28 27.489 9.773 -2.949 1.00 23.10 H new ATOM 0 HD3 ARG A 28 29.085 10.271 -3.476 1.00 23.10 H new ATOM 0 HE ARG A 28 27.412 11.637 -1.536 1.00 65.33 H new ATOM 0 HH11 ARG A 28 29.761 12.262 -4.154 1.00 30.13 H new ATOM 0 HH12 ARG A 28 30.281 13.808 -3.477 1.00 30.13 H new ATOM 0 HH21 ARG A 28 28.083 13.605 -0.686 1.00 72.22 H new ATOM 0 HH22 ARG A 28 29.321 14.569 -1.498 1.00 72.22 H new ATOM 480 N ILE A 29 26.008 7.194 -5.343 1.00 41.44 N ATOM 481 CA ILE A 29 25.180 6.046 -5.669 1.00 31.35 C ATOM 482 C ILE A 29 23.803 6.217 -5.025 1.00 35.12 C ATOM 483 O ILE A 29 23.617 5.896 -3.852 1.00 3.11 O ATOM 484 CB ILE A 29 25.886 4.747 -5.274 1.00 1.12 C ATOM 485 CG1 ILE A 29 27.343 4.751 -5.742 1.00 73.23 C ATOM 486 CG2 ILE A 29 25.121 3.528 -5.791 1.00 74.51 C ATOM 487 CD1 ILE A 29 28.027 3.422 -5.416 1.00 21.04 C ATOM 0 H ILE A 29 25.798 7.631 -4.446 1.00 41.44 H new ATOM 0 HA ILE A 29 25.024 5.982 -6.746 1.00 31.35 H new ATOM 0 HB ILE A 29 25.897 4.681 -4.186 1.00 1.12 H new ATOM 0 HG12 ILE A 29 27.383 4.931 -6.816 1.00 73.23 H new ATOM 0 HG13 ILE A 29 27.881 5.568 -5.262 1.00 73.23 H new ATOM 0 HG21 ILE A 29 25.644 2.618 -5.496 1.00 74.51 H new ATOM 0 HG22 ILE A 29 24.117 3.522 -5.367 1.00 74.51 H new ATOM 0 HG23 ILE A 29 25.056 3.573 -6.878 1.00 74.51 H new ATOM 0 HD11 ILE A 29 29.061 3.451 -5.759 1.00 21.04 H new ATOM 0 HD12 ILE A 29 28.007 3.257 -4.339 1.00 21.04 H new ATOM 0 HD13 ILE A 29 27.501 2.610 -5.918 1.00 21.04 H new ATOM 499 N PRO A 30 22.847 6.735 -5.842 1.00 12.54 N ATOM 500 CA PRO A 30 21.492 6.953 -5.364 1.00 51.21 C ATOM 501 C PRO A 30 20.730 5.631 -5.255 1.00 31.13 C ATOM 502 O PRO A 30 20.169 5.150 -6.238 1.00 43.13 O ATOM 503 CB PRO A 30 20.872 7.915 -6.365 1.00 31.04 C ATOM 504 CG PRO A 30 21.739 7.836 -7.611 1.00 10.33 C ATOM 505 CD PRO A 30 23.030 7.127 -7.236 1.00 70.12 C ATOM 0 HA PRO A 30 21.463 7.372 -4.358 1.00 51.21 H new ATOM 0 HB2 PRO A 30 19.842 7.637 -6.588 1.00 31.04 H new ATOM 0 HB3 PRO A 30 20.849 8.930 -5.969 1.00 31.04 H new ATOM 0 HG2 PRO A 30 21.222 7.294 -8.402 1.00 10.33 H new ATOM 0 HG3 PRO A 30 21.949 8.835 -7.994 1.00 10.33 H new ATOM 0 HD2 PRO A 30 23.204 6.259 -7.872 1.00 70.12 H new ATOM 0 HD3 PRO A 30 23.891 7.785 -7.352 1.00 70.12 H new ATOM 513 N VAL A 31 20.734 5.081 -4.050 1.00 32.55 N ATOM 514 CA VAL A 31 20.050 3.823 -3.799 1.00 12.34 C ATOM 515 C VAL A 31 18.579 4.102 -3.481 1.00 43.34 C ATOM 516 O VAL A 31 18.221 5.220 -3.115 1.00 11.40 O ATOM 517 CB VAL A 31 20.765 3.051 -2.688 1.00 71.02 C ATOM 518 CG1 VAL A 31 20.029 3.201 -1.355 1.00 63.41 C ATOM 519 CG2 VAL A 31 20.927 1.576 -3.063 1.00 10.43 C ATOM 0 H VAL A 31 21.200 5.483 -3.236 1.00 32.55 H new ATOM 0 HA VAL A 31 20.077 3.190 -4.686 1.00 12.34 H new ATOM 0 HB VAL A 31 21.761 3.478 -2.570 1.00 71.02 H new ATOM 0 HG11 VAL A 31 20.558 2.643 -0.583 1.00 63.41 H new ATOM 0 HG12 VAL A 31 19.989 4.254 -1.078 1.00 63.41 H new ATOM 0 HG13 VAL A 31 19.015 2.813 -1.453 1.00 63.41 H new ATOM 0 HG21 VAL A 31 21.438 1.050 -2.257 1.00 10.43 H new ATOM 0 HG22 VAL A 31 19.945 1.131 -3.222 1.00 10.43 H new ATOM 0 HG23 VAL A 31 21.514 1.496 -3.978 1.00 10.43 H new ATOM 529 N ILE A 32 17.767 3.066 -3.634 1.00 4.43 N ATOM 530 CA ILE A 32 16.344 3.186 -3.368 1.00 31.11 C ATOM 531 C ILE A 32 15.882 1.987 -2.536 1.00 44.53 C ATOM 532 O ILE A 32 15.545 0.939 -3.085 1.00 3.51 O ATOM 533 CB ILE A 32 15.568 3.363 -4.675 1.00 31.03 C ATOM 534 CG1 ILE A 32 15.831 4.740 -5.286 1.00 44.54 C ATOM 535 CG2 ILE A 32 14.074 3.105 -4.465 1.00 5.13 C ATOM 536 CD1 ILE A 32 14.996 5.818 -4.591 1.00 65.23 C ATOM 0 H ILE A 32 18.068 2.140 -3.939 1.00 4.43 H new ATOM 0 HA ILE A 32 16.140 4.081 -2.779 1.00 31.11 H new ATOM 0 HB ILE A 32 15.926 2.620 -5.388 1.00 31.03 H new ATOM 0 HG12 ILE A 32 16.890 4.984 -5.200 1.00 44.54 H new ATOM 0 HG13 ILE A 32 15.594 4.721 -6.350 1.00 44.54 H new ATOM 0 HG21 ILE A 32 13.546 3.237 -5.409 1.00 5.13 H new ATOM 0 HG22 ILE A 32 13.928 2.086 -4.107 1.00 5.13 H new ATOM 0 HG23 ILE A 32 13.683 3.808 -3.729 1.00 5.13 H new ATOM 0 HD11 ILE A 32 15.202 6.787 -5.045 1.00 65.23 H new ATOM 0 HD12 ILE A 32 13.937 5.584 -4.700 1.00 65.23 H new ATOM 0 HD13 ILE A 32 15.253 5.851 -3.532 1.00 65.23 H new ATOM 548 N CYS A 33 15.882 2.182 -1.226 1.00 0.33 N ATOM 549 CA CYS A 33 15.467 1.130 -0.313 1.00 5.51 C ATOM 550 C CYS A 33 14.012 1.385 0.084 1.00 1.23 C ATOM 551 O CYS A 33 13.531 2.514 0.002 1.00 1.32 O ATOM 552 CB CYS A 33 16.386 1.047 0.908 1.00 60.52 C ATOM 553 SG CYS A 33 15.803 -0.267 2.040 1.00 21.44 S ATOM 0 H CYS A 33 16.163 3.053 -0.775 1.00 0.33 H new ATOM 0 HA CYS A 33 15.542 0.163 -0.809 1.00 5.51 H new ATOM 0 HB2 CYS A 33 17.408 0.839 0.591 1.00 60.52 H new ATOM 0 HB3 CYS A 33 16.402 2.005 1.427 1.00 60.52 H new ATOM 0 HG CYS A 33 15.731 0.203 3.250 1.00 21.44 H new ATOM 559 N GLU A 34 13.352 0.317 0.506 1.00 13.04 N ATOM 560 CA GLU A 34 11.961 0.411 0.917 1.00 71.24 C ATOM 561 C GLU A 34 11.713 -0.453 2.155 1.00 5.43 C ATOM 562 O GLU A 34 11.887 -1.670 2.113 1.00 42.42 O ATOM 563 CB GLU A 34 11.024 0.012 -0.226 1.00 3.04 C ATOM 564 CG GLU A 34 11.452 0.669 -1.540 1.00 32.52 C ATOM 565 CD GLU A 34 10.568 0.202 -2.698 1.00 50.45 C ATOM 566 OE1 GLU A 34 9.977 -0.885 -2.629 1.00 32.45 O ATOM 567 OE2 GLU A 34 10.506 1.015 -3.698 1.00 53.51 O ATOM 0 H GLU A 34 13.754 -0.618 0.572 1.00 13.04 H new ATOM 0 HA GLU A 34 11.748 1.449 1.174 1.00 71.24 H new ATOM 0 HB2 GLU A 34 11.025 -1.072 -0.340 1.00 3.04 H new ATOM 0 HB3 GLU A 34 10.003 0.306 0.016 1.00 3.04 H new ATOM 0 HG2 GLU A 34 11.392 1.753 -1.446 1.00 32.52 H new ATOM 0 HG3 GLU A 34 12.493 0.425 -1.751 1.00 32.52 H new ATOM 575 N LYS A 35 11.312 0.211 3.229 1.00 13.13 N ATOM 576 CA LYS A 35 11.039 -0.480 4.478 1.00 73.53 C ATOM 577 C LYS A 35 10.113 -1.668 4.206 1.00 21.10 C ATOM 578 O LYS A 35 9.145 -1.547 3.457 1.00 43.43 O ATOM 579 CB LYS A 35 10.496 0.496 5.523 1.00 32.33 C ATOM 580 CG LYS A 35 9.959 -0.252 6.745 1.00 21.44 C ATOM 581 CD LYS A 35 8.450 -0.479 6.630 1.00 24.42 C ATOM 582 CE LYS A 35 7.749 -0.187 7.958 1.00 20.01 C ATOM 583 NZ LYS A 35 6.408 -0.814 7.985 1.00 4.51 N ATOM 0 H LYS A 35 11.169 1.221 3.260 1.00 13.13 H new ATOM 0 HA LYS A 35 11.960 -0.882 4.900 1.00 73.53 H new ATOM 0 HB2 LYS A 35 11.285 1.182 5.830 1.00 32.33 H new ATOM 0 HB3 LYS A 35 9.702 1.100 5.084 1.00 32.33 H new ATOM 0 HG2 LYS A 35 10.468 -1.211 6.842 1.00 21.44 H new ATOM 0 HG3 LYS A 35 10.177 0.317 7.649 1.00 21.44 H new ATOM 0 HD2 LYS A 35 8.041 0.163 5.850 1.00 24.42 H new ATOM 0 HD3 LYS A 35 8.255 -1.509 6.331 1.00 24.42 H new ATOM 0 HE2 LYS A 35 8.351 -0.565 8.784 1.00 20.01 H new ATOM 0 HE3 LYS A 35 7.656 0.890 8.098 1.00 20.01 H new ATOM 0 HZ1 LYS A 35 5.946 -0.606 8.893 1.00 4.51 H new ATOM 0 HZ2 LYS A 35 5.831 -0.433 7.208 1.00 4.51 H new ATOM 0 HZ3 LYS A 35 6.504 -1.844 7.873 1.00 4.51 H new ATOM 596 N ALA A 36 10.443 -2.789 4.830 1.00 61.31 N ATOM 597 CA ALA A 36 9.654 -3.998 4.665 1.00 55.12 C ATOM 598 C ALA A 36 8.266 -3.782 5.271 1.00 15.12 C ATOM 599 O ALA A 36 8.123 -3.698 6.490 1.00 31.31 O ATOM 600 CB ALA A 36 10.390 -5.179 5.299 1.00 34.55 C ATOM 0 H ALA A 36 11.246 -2.886 5.451 1.00 61.31 H new ATOM 0 HA ALA A 36 9.520 -4.228 3.608 1.00 55.12 H new ATOM 0 HB1 ALA A 36 9.798 -6.086 5.175 1.00 34.55 H new ATOM 0 HB2 ALA A 36 11.357 -5.308 4.813 1.00 34.55 H new ATOM 0 HB3 ALA A 36 10.540 -4.986 6.361 1.00 34.55 H new ATOM 606 N GLU A 37 7.278 -3.698 4.393 1.00 55.35 N ATOM 607 CA GLU A 37 5.906 -3.493 4.826 1.00 32.10 C ATOM 608 C GLU A 37 5.536 -4.505 5.912 1.00 32.13 C ATOM 609 O GLU A 37 4.927 -4.146 6.919 1.00 54.14 O ATOM 610 CB GLU A 37 4.939 -3.579 3.644 1.00 75.52 C ATOM 611 CG GLU A 37 4.867 -5.007 3.097 1.00 0.30 C ATOM 612 CD GLU A 37 4.119 -5.046 1.763 1.00 52.20 C ATOM 613 OE1 GLU A 37 4.680 -4.662 0.726 1.00 62.41 O ATOM 614 OE2 GLU A 37 2.911 -5.495 1.828 1.00 65.50 O ATOM 0 H GLU A 37 7.400 -3.768 3.383 1.00 55.35 H new ATOM 0 HA GLU A 37 5.824 -2.491 5.247 1.00 32.10 H new ATOM 0 HB2 GLU A 37 3.946 -3.255 3.957 1.00 75.52 H new ATOM 0 HB3 GLU A 37 5.262 -2.899 2.855 1.00 75.52 H new ATOM 0 HG2 GLU A 37 5.875 -5.401 2.965 1.00 0.30 H new ATOM 0 HG3 GLU A 37 4.365 -5.652 3.818 1.00 0.30 H new ATOM 622 N LYS A 38 5.920 -5.750 5.672 1.00 74.12 N ATOM 623 CA LYS A 38 5.636 -6.817 6.617 1.00 12.40 C ATOM 624 C LYS A 38 6.342 -6.519 7.942 1.00 72.55 C ATOM 625 O LYS A 38 5.813 -6.817 9.011 1.00 30.24 O ATOM 626 CB LYS A 38 6.001 -8.176 6.017 1.00 40.21 C ATOM 627 CG LYS A 38 5.075 -8.527 4.851 1.00 53.12 C ATOM 628 CD LYS A 38 3.793 -9.196 5.351 1.00 21.41 C ATOM 629 CE LYS A 38 3.746 -10.669 4.937 1.00 2.43 C ATOM 630 NZ LYS A 38 2.357 -11.176 4.984 1.00 54.03 N ATOM 0 H LYS A 38 6.426 -6.044 4.836 1.00 74.12 H new ATOM 0 HA LYS A 38 4.568 -6.865 6.828 1.00 12.40 H new ATOM 0 HB2 LYS A 38 7.035 -8.160 5.673 1.00 40.21 H new ATOM 0 HB3 LYS A 38 5.933 -8.947 6.785 1.00 40.21 H new ATOM 0 HG2 LYS A 38 4.825 -7.623 4.296 1.00 53.12 H new ATOM 0 HG3 LYS A 38 5.591 -9.193 4.160 1.00 53.12 H new ATOM 0 HD2 LYS A 38 3.737 -9.118 6.437 1.00 21.41 H new ATOM 0 HD3 LYS A 38 2.925 -8.674 4.949 1.00 21.41 H new ATOM 0 HE2 LYS A 38 4.147 -10.783 3.930 1.00 2.43 H new ATOM 0 HE3 LYS A 38 4.378 -11.260 5.600 1.00 2.43 H new ATOM 0 HZ1 LYS A 38 2.343 -12.176 4.700 1.00 54.03 H new ATOM 0 HZ2 LYS A 38 1.987 -11.085 5.952 1.00 54.03 H new ATOM 0 HZ3 LYS A 38 1.763 -10.623 4.333 1.00 54.03 H new ATOM 643 N SER A 39 7.526 -5.936 7.826 1.00 32.13 N ATOM 644 CA SER A 39 8.310 -5.595 9.001 1.00 33.44 C ATOM 645 C SER A 39 7.425 -4.897 10.036 1.00 20.43 C ATOM 646 O SER A 39 6.274 -4.567 9.753 1.00 25.21 O ATOM 647 CB SER A 39 9.498 -4.705 8.632 1.00 73.03 C ATOM 648 OG SER A 39 9.153 -3.322 8.643 1.00 34.45 O ATOM 0 H SER A 39 7.961 -5.691 6.937 1.00 32.13 H new ATOM 0 HA SER A 39 8.702 -6.517 9.430 1.00 33.44 H new ATOM 0 HB2 SER A 39 10.314 -4.881 9.333 1.00 73.03 H new ATOM 0 HB3 SER A 39 9.863 -4.980 7.642 1.00 73.03 H new ATOM 0 HG SER A 39 8.574 -3.123 7.878 1.00 34.45 H new ATOM 654 N ASP A 40 7.996 -4.693 11.214 1.00 31.44 N ATOM 655 CA ASP A 40 7.274 -4.041 12.293 1.00 15.31 C ATOM 656 C ASP A 40 8.060 -2.813 12.758 1.00 74.21 C ATOM 657 O ASP A 40 7.845 -2.316 13.862 1.00 24.04 O ATOM 658 CB ASP A 40 7.108 -4.978 13.491 1.00 1.42 C ATOM 659 CG ASP A 40 5.903 -5.917 13.416 1.00 53.01 C ATOM 660 OD1 ASP A 40 6.032 -7.094 13.048 1.00 43.02 O ATOM 661 OD2 ASP A 40 4.777 -5.388 13.759 1.00 23.34 O ATOM 0 H ASP A 40 8.951 -4.968 11.445 1.00 31.44 H new ATOM 0 HA ASP A 40 6.290 -3.759 11.918 1.00 15.31 H new ATOM 0 HB2 ASP A 40 8.012 -5.579 13.591 1.00 1.42 H new ATOM 0 HB3 ASP A 40 7.024 -4.375 14.395 1.00 1.42 H new ATOM 667 N ILE A 41 8.954 -2.360 11.891 1.00 15.35 N ATOM 668 CA ILE A 41 9.773 -1.200 12.199 1.00 13.33 C ATOM 669 C ILE A 41 9.053 0.066 11.731 1.00 51.52 C ATOM 670 O ILE A 41 8.148 -0.001 10.900 1.00 1.23 O ATOM 671 CB ILE A 41 11.176 -1.363 11.611 1.00 75.12 C ATOM 672 CG1 ILE A 41 11.263 -0.732 10.220 1.00 45.12 C ATOM 673 CG2 ILE A 41 11.598 -2.834 11.601 1.00 41.42 C ATOM 674 CD1 ILE A 41 12.612 -1.036 9.564 1.00 71.31 C ATOM 0 H ILE A 41 9.129 -2.775 10.976 1.00 15.35 H new ATOM 0 HA ILE A 41 9.913 -1.108 13.276 1.00 13.33 H new ATOM 0 HB ILE A 41 11.880 -0.831 12.251 1.00 75.12 H new ATOM 0 HG12 ILE A 41 10.456 -1.112 9.593 1.00 45.12 H new ATOM 0 HG13 ILE A 41 11.127 0.347 10.297 1.00 45.12 H new ATOM 0 HG21 ILE A 41 12.599 -2.923 11.178 1.00 41.42 H new ATOM 0 HG22 ILE A 41 11.599 -3.219 12.621 1.00 41.42 H new ATOM 0 HG23 ILE A 41 10.897 -3.410 10.997 1.00 41.42 H new ATOM 0 HD11 ILE A 41 12.648 -0.576 8.576 1.00 71.31 H new ATOM 0 HD12 ILE A 41 13.416 -0.634 10.181 1.00 71.31 H new ATOM 0 HD13 ILE A 41 12.734 -2.115 9.467 1.00 71.31 H new ATOM 686 N PRO A 42 9.493 1.221 12.298 1.00 1.34 N ATOM 687 CA PRO A 42 8.901 2.501 11.948 1.00 71.25 C ATOM 688 C PRO A 42 9.369 2.961 10.565 1.00 12.14 C ATOM 689 O PRO A 42 10.567 3.111 10.330 1.00 53.42 O ATOM 690 CB PRO A 42 9.319 3.447 13.062 1.00 70.54 C ATOM 691 CG PRO A 42 10.506 2.787 13.745 1.00 34.31 C ATOM 692 CD PRO A 42 10.562 1.339 13.285 1.00 4.05 C ATOM 0 HA PRO A 42 7.815 2.455 11.871 1.00 71.25 H new ATOM 0 HB2 PRO A 42 9.592 4.424 12.663 1.00 70.54 H new ATOM 0 HB3 PRO A 42 8.502 3.607 13.766 1.00 70.54 H new ATOM 0 HG2 PRO A 42 11.430 3.305 13.489 1.00 34.31 H new ATOM 0 HG3 PRO A 42 10.401 2.840 14.829 1.00 34.31 H new ATOM 0 HD2 PRO A 42 11.532 1.100 12.849 1.00 4.05 H new ATOM 0 HD3 PRO A 42 10.409 0.653 14.118 1.00 4.05 H new ATOM 700 N GLU A 43 8.399 3.172 9.688 1.00 41.33 N ATOM 701 CA GLU A 43 8.697 3.613 8.335 1.00 34.43 C ATOM 702 C GLU A 43 9.349 4.996 8.359 1.00 42.20 C ATOM 703 O GLU A 43 9.297 5.694 9.371 1.00 61.32 O ATOM 704 CB GLU A 43 7.435 3.616 7.470 1.00 50.22 C ATOM 705 CG GLU A 43 7.790 3.689 5.983 1.00 31.43 C ATOM 706 CD GLU A 43 6.666 3.109 5.122 1.00 32.24 C ATOM 707 OE1 GLU A 43 6.798 3.045 3.891 1.00 21.31 O ATOM 708 OE2 GLU A 43 5.626 2.715 5.776 1.00 12.33 O ATOM 0 H GLU A 43 7.407 3.046 9.887 1.00 41.33 H new ATOM 0 HA GLU A 43 9.401 2.909 7.891 1.00 34.43 H new ATOM 0 HB2 GLU A 43 6.854 2.715 7.665 1.00 50.22 H new ATOM 0 HB3 GLU A 43 6.807 4.465 7.740 1.00 50.22 H new ATOM 0 HG2 GLU A 43 7.972 4.726 5.699 1.00 31.43 H new ATOM 0 HG3 GLU A 43 8.714 3.141 5.799 1.00 31.43 H new ATOM 716 N ILE A 44 9.949 5.352 7.232 1.00 32.13 N ATOM 717 CA ILE A 44 10.611 6.640 7.111 1.00 32.31 C ATOM 718 C ILE A 44 9.756 7.568 6.246 1.00 1.33 C ATOM 719 O ILE A 44 8.777 7.133 5.642 1.00 12.14 O ATOM 720 CB ILE A 44 12.040 6.461 6.595 1.00 71.02 C ATOM 721 CG1 ILE A 44 12.100 5.383 5.511 1.00 44.15 C ATOM 722 CG2 ILE A 44 13.006 6.172 7.745 1.00 23.32 C ATOM 723 CD1 ILE A 44 13.495 5.313 4.884 1.00 14.12 C ATOM 0 H ILE A 44 9.990 4.771 6.395 1.00 32.13 H new ATOM 0 HA ILE A 44 10.707 7.113 8.088 1.00 32.31 H new ATOM 0 HB ILE A 44 12.357 7.397 6.136 1.00 71.02 H new ATOM 0 HG12 ILE A 44 11.842 4.415 5.941 1.00 44.15 H new ATOM 0 HG13 ILE A 44 11.361 5.597 4.739 1.00 44.15 H new ATOM 0 HG21 ILE A 44 14.015 6.049 7.351 1.00 23.32 H new ATOM 0 HG22 ILE A 44 12.991 7.003 8.450 1.00 23.32 H new ATOM 0 HG23 ILE A 44 12.702 5.258 8.255 1.00 23.32 H new ATOM 0 HD11 ILE A 44 13.511 4.539 4.117 1.00 14.12 H new ATOM 0 HD12 ILE A 44 13.740 6.275 4.434 1.00 14.12 H new ATOM 0 HD13 ILE A 44 14.229 5.075 5.654 1.00 14.12 H new ATOM 735 N ASP A 45 10.158 8.830 6.214 1.00 14.51 N ATOM 736 CA ASP A 45 9.441 9.824 5.433 1.00 13.33 C ATOM 737 C ASP A 45 9.512 9.450 3.951 1.00 14.43 C ATOM 738 O ASP A 45 8.482 9.285 3.299 1.00 11.41 O ATOM 739 CB ASP A 45 10.064 11.211 5.601 1.00 0.32 C ATOM 740 CG ASP A 45 9.444 12.308 4.734 1.00 51.43 C ATOM 741 OD1 ASP A 45 9.229 12.123 3.527 1.00 42.15 O ATOM 742 OD2 ASP A 45 9.174 13.407 5.354 1.00 23.10 O ATOM 0 H ASP A 45 10.971 9.187 6.716 1.00 14.51 H new ATOM 0 HA ASP A 45 8.409 9.848 5.783 1.00 13.33 H new ATOM 0 HB2 ASP A 45 9.981 11.506 6.647 1.00 0.32 H new ATOM 0 HB3 ASP A 45 11.128 11.145 5.372 1.00 0.32 H new ATOM 748 N LYS A 46 10.737 9.328 3.463 1.00 61.41 N ATOM 749 CA LYS A 46 10.956 8.976 2.070 1.00 11.31 C ATOM 750 C LYS A 46 12.104 7.970 1.977 1.00 64.31 C ATOM 751 O LYS A 46 12.615 7.509 2.997 1.00 70.14 O ATOM 752 CB LYS A 46 11.171 10.235 1.227 1.00 4.04 C ATOM 753 CG LYS A 46 12.521 10.883 1.544 1.00 31.44 C ATOM 754 CD LYS A 46 12.389 11.896 2.683 1.00 52.54 C ATOM 755 CE LYS A 46 11.871 13.239 2.163 1.00 10.23 C ATOM 756 NZ LYS A 46 12.063 14.297 3.181 1.00 54.05 N ATOM 0 H LYS A 46 11.589 9.467 4.007 1.00 61.41 H new ATOM 0 HA LYS A 46 10.072 8.490 1.656 1.00 11.31 H new ATOM 0 HB2 LYS A 46 11.125 9.980 0.168 1.00 4.04 H new ATOM 0 HB3 LYS A 46 10.368 10.947 1.418 1.00 4.04 H new ATOM 0 HG2 LYS A 46 13.242 10.113 1.819 1.00 31.44 H new ATOM 0 HG3 LYS A 46 12.908 11.379 0.654 1.00 31.44 H new ATOM 0 HD2 LYS A 46 11.709 11.509 3.442 1.00 52.54 H new ATOM 0 HD3 LYS A 46 13.357 12.037 3.164 1.00 52.54 H new ATOM 0 HE2 LYS A 46 12.396 13.508 1.247 1.00 10.23 H new ATOM 0 HE3 LYS A 46 10.814 13.155 1.912 1.00 10.23 H new ATOM 0 HZ1 LYS A 46 11.706 15.202 2.813 1.00 54.05 H new ATOM 0 HZ2 LYS A 46 11.542 14.046 4.045 1.00 54.05 H new ATOM 0 HZ3 LYS A 46 13.075 14.388 3.401 1.00 54.05 H new ATOM 769 N ARG A 47 12.477 7.658 0.744 1.00 1.13 N ATOM 770 CA ARG A 47 13.556 6.715 0.505 1.00 71.44 C ATOM 771 C ARG A 47 14.614 7.339 -0.407 1.00 23.20 C ATOM 772 O ARG A 47 14.430 7.409 -1.621 1.00 53.10 O ATOM 773 CB ARG A 47 13.031 5.430 -0.140 1.00 0.10 C ATOM 774 CG ARG A 47 11.824 4.886 0.626 1.00 31.35 C ATOM 775 CD ARG A 47 10.523 5.170 -0.127 1.00 34.14 C ATOM 776 NE ARG A 47 10.137 3.991 -0.934 1.00 23.01 N ATOM 777 CZ ARG A 47 9.379 2.973 -0.473 1.00 43.24 C ATOM 778 NH1 ARG A 47 8.918 2.982 0.795 1.00 22.14 N ATOM 779 NH2 ARG A 47 9.096 1.969 -1.282 1.00 51.33 N ATOM 0 H ARG A 47 12.051 8.042 -0.100 1.00 1.13 H new ATOM 0 HA ARG A 47 14.001 6.469 1.469 1.00 71.44 H new ATOM 0 HB2 ARG A 47 12.751 5.626 -1.175 1.00 0.10 H new ATOM 0 HB3 ARG A 47 13.822 4.680 -0.160 1.00 0.10 H new ATOM 0 HG2 ARG A 47 11.936 3.812 0.773 1.00 31.35 H new ATOM 0 HG3 ARG A 47 11.782 5.340 1.616 1.00 31.35 H new ATOM 0 HD2 ARG A 47 9.730 5.413 0.580 1.00 34.14 H new ATOM 0 HD3 ARG A 47 10.650 6.038 -0.774 1.00 34.14 H new ATOM 0 HE ARG A 47 10.464 3.944 -1.899 1.00 23.01 H new ATOM 0 HH11 ARG A 47 9.141 3.762 1.413 1.00 22.14 H new ATOM 0 HH12 ARG A 47 8.346 2.209 1.135 1.00 22.14 H new ATOM 0 HH21 ARG A 47 9.449 1.970 -2.239 1.00 51.33 H new ATOM 0 HH22 ARG A 47 8.525 1.192 -0.950 1.00 51.33 H new ATOM 792 N LYS A 48 15.700 7.776 0.214 1.00 41.35 N ATOM 793 CA LYS A 48 16.788 8.392 -0.527 1.00 2.32 C ATOM 794 C LYS A 48 18.068 8.328 0.309 1.00 43.13 C ATOM 795 O LYS A 48 18.147 8.931 1.378 1.00 33.21 O ATOM 796 CB LYS A 48 16.407 9.809 -0.960 1.00 12.42 C ATOM 797 CG LYS A 48 17.273 10.277 -2.131 1.00 70.53 C ATOM 798 CD LYS A 48 17.066 11.767 -2.406 1.00 0.41 C ATOM 799 CE LYS A 48 18.032 12.617 -1.578 1.00 23.31 C ATOM 800 NZ LYS A 48 19.410 12.498 -2.106 1.00 31.53 N ATOM 0 H LYS A 48 15.850 7.716 1.221 1.00 41.35 H new ATOM 0 HA LYS A 48 16.980 7.843 -1.449 1.00 2.32 H new ATOM 0 HB2 LYS A 48 15.356 9.835 -1.248 1.00 12.42 H new ATOM 0 HB3 LYS A 48 16.525 10.494 -0.120 1.00 12.42 H new ATOM 0 HG2 LYS A 48 18.323 10.087 -1.910 1.00 70.53 H new ATOM 0 HG3 LYS A 48 17.026 9.701 -3.023 1.00 70.53 H new ATOM 0 HD2 LYS A 48 17.216 11.969 -3.467 1.00 0.41 H new ATOM 0 HD3 LYS A 48 16.039 12.045 -2.171 1.00 0.41 H new ATOM 0 HE2 LYS A 48 17.717 13.660 -1.599 1.00 23.31 H new ATOM 0 HE3 LYS A 48 18.006 12.297 -0.536 1.00 23.31 H new ATOM 0 HZ1 LYS A 48 20.070 12.329 -1.320 1.00 31.53 H new ATOM 0 HZ2 LYS A 48 19.458 11.703 -2.775 1.00 31.53 H new ATOM 0 HZ3 LYS A 48 19.672 13.378 -2.594 1.00 31.53 H new ATOM 813 N TYR A 49 19.040 7.592 -0.211 1.00 13.11 N ATOM 814 CA TYR A 49 20.312 7.441 0.474 1.00 44.32 C ATOM 815 C TYR A 49 21.481 7.734 -0.470 1.00 32.31 C ATOM 816 O TYR A 49 21.942 6.846 -1.186 1.00 51.32 O ATOM 817 CB TYR A 49 20.383 5.978 0.915 1.00 11.24 C ATOM 818 CG TYR A 49 19.277 5.568 1.890 1.00 50.41 C ATOM 819 CD1 TYR A 49 18.026 5.233 1.413 1.00 41.23 C ATOM 820 CD2 TYR A 49 19.530 5.534 3.246 1.00 22.12 C ATOM 821 CE1 TYR A 49 16.985 4.848 2.330 1.00 62.51 C ATOM 822 CE2 TYR A 49 18.489 5.148 4.163 1.00 2.24 C ATOM 823 CZ TYR A 49 17.268 4.824 3.660 1.00 1.10 C ATOM 824 OH TYR A 49 16.285 4.460 4.526 1.00 20.23 O ATOM 0 H TYR A 49 18.972 7.094 -1.099 1.00 13.11 H new ATOM 0 HA TYR A 49 20.381 8.134 1.313 1.00 44.32 H new ATOM 0 HB2 TYR A 49 20.330 5.340 0.033 1.00 11.24 H new ATOM 0 HB3 TYR A 49 21.351 5.796 1.382 1.00 11.24 H new ATOM 0 HD1 TYR A 49 17.828 5.260 0.352 1.00 41.23 H new ATOM 0 HD2 TYR A 49 20.509 5.797 3.620 1.00 22.12 H new ATOM 0 HE1 TYR A 49 16.002 4.584 1.970 1.00 62.51 H new ATOM 0 HE2 TYR A 49 18.674 5.117 5.227 1.00 2.24 H new ATOM 0 HH TYR A 49 16.421 4.913 5.384 1.00 20.23 H new ATOM 834 N LEU A 50 21.926 8.981 -0.440 1.00 40.20 N ATOM 835 CA LEU A 50 23.032 9.402 -1.284 1.00 33.41 C ATOM 836 C LEU A 50 24.346 8.903 -0.680 1.00 63.15 C ATOM 837 O LEU A 50 24.949 9.581 0.150 1.00 32.03 O ATOM 838 CB LEU A 50 22.992 10.915 -1.505 1.00 74.01 C ATOM 839 CG LEU A 50 23.670 11.425 -2.778 1.00 73.13 C ATOM 840 CD1 LEU A 50 25.184 11.535 -2.587 1.00 15.33 C ATOM 841 CD2 LEU A 50 23.306 10.551 -3.981 1.00 4.24 C ATOM 0 H LEU A 50 21.541 9.714 0.156 1.00 40.20 H new ATOM 0 HA LEU A 50 22.946 8.957 -2.275 1.00 33.41 H new ATOM 0 HB2 LEU A 50 21.949 11.233 -1.520 1.00 74.01 H new ATOM 0 HB3 LEU A 50 23.460 11.400 -0.648 1.00 74.01 H new ATOM 0 HG LEU A 50 23.298 12.429 -2.984 1.00 73.13 H new ATOM 0 HD11 LEU A 50 25.641 11.900 -3.507 1.00 15.33 H new ATOM 0 HD12 LEU A 50 25.399 12.230 -1.775 1.00 15.33 H new ATOM 0 HD13 LEU A 50 25.592 10.554 -2.343 1.00 15.33 H new ATOM 0 HD21 LEU A 50 23.801 10.935 -4.873 1.00 4.24 H new ATOM 0 HD22 LEU A 50 23.631 9.527 -3.798 1.00 4.24 H new ATOM 0 HD23 LEU A 50 22.226 10.568 -4.130 1.00 4.24 H new ATOM 853 N VAL A 51 24.753 7.722 -1.122 1.00 74.30 N ATOM 854 CA VAL A 51 25.985 7.124 -0.636 1.00 13.30 C ATOM 855 C VAL A 51 27.022 7.118 -1.761 1.00 33.11 C ATOM 856 O VAL A 51 26.673 6.966 -2.931 1.00 21.34 O ATOM 857 CB VAL A 51 25.704 5.729 -0.074 1.00 12.21 C ATOM 858 CG1 VAL A 51 25.553 5.771 1.448 1.00 50.50 C ATOM 859 CG2 VAL A 51 24.467 5.112 -0.731 1.00 3.43 C ATOM 0 H VAL A 51 24.251 7.163 -1.812 1.00 74.30 H new ATOM 0 HA VAL A 51 26.398 7.712 0.184 1.00 13.30 H new ATOM 0 HB VAL A 51 26.559 5.095 -0.308 1.00 12.21 H new ATOM 0 HG11 VAL A 51 25.354 4.767 1.822 1.00 50.50 H new ATOM 0 HG12 VAL A 51 26.473 6.149 1.895 1.00 50.50 H new ATOM 0 HG13 VAL A 51 24.725 6.428 1.713 1.00 50.50 H new ATOM 0 HG21 VAL A 51 24.290 4.121 -0.314 1.00 3.43 H new ATOM 0 HG22 VAL A 51 23.600 5.746 -0.542 1.00 3.43 H new ATOM 0 HG23 VAL A 51 24.629 5.029 -1.806 1.00 3.43 H new ATOM 869 N PRO A 52 28.309 7.289 -1.357 1.00 10.51 N ATOM 870 CA PRO A 52 29.399 7.305 -2.317 1.00 61.15 C ATOM 871 C PRO A 52 29.708 5.893 -2.819 1.00 22.22 C ATOM 872 O PRO A 52 29.154 4.917 -2.316 1.00 75.45 O ATOM 873 CB PRO A 52 30.565 7.942 -1.579 1.00 61.31 C ATOM 874 CG PRO A 52 30.231 7.834 -0.100 1.00 54.22 C ATOM 875 CD PRO A 52 28.759 7.473 0.020 1.00 61.32 C ATOM 0 HA PRO A 52 29.158 7.871 -3.217 1.00 61.15 H new ATOM 0 HB2 PRO A 52 31.499 7.428 -1.807 1.00 61.31 H new ATOM 0 HB3 PRO A 52 30.693 8.983 -1.876 1.00 61.31 H new ATOM 0 HG2 PRO A 52 30.850 7.074 0.377 1.00 54.22 H new ATOM 0 HG3 PRO A 52 30.436 8.777 0.407 1.00 54.22 H new ATOM 0 HD2 PRO A 52 28.621 6.565 0.607 1.00 61.32 H new ATOM 0 HD3 PRO A 52 28.197 8.263 0.518 1.00 61.32 H new ATOM 883 N ALA A 53 30.593 5.829 -3.803 1.00 52.21 N ATOM 884 CA ALA A 53 30.983 4.553 -4.378 1.00 35.22 C ATOM 885 C ALA A 53 32.186 4.000 -3.612 1.00 43.02 C ATOM 886 O ALA A 53 32.895 3.126 -4.109 1.00 74.14 O ATOM 887 CB ALA A 53 31.272 4.732 -5.869 1.00 62.45 C ATOM 0 H ALA A 53 31.051 6.641 -4.217 1.00 52.21 H new ATOM 0 HA ALA A 53 30.174 3.828 -4.288 1.00 35.22 H new ATOM 0 HB1 ALA A 53 31.565 3.775 -6.300 1.00 62.45 H new ATOM 0 HB2 ALA A 53 30.377 5.098 -6.372 1.00 62.45 H new ATOM 0 HB3 ALA A 53 32.081 5.451 -5.999 1.00 62.45 H new ATOM 893 N ASP A 54 32.381 4.532 -2.415 1.00 11.53 N ATOM 894 CA ASP A 54 33.487 4.103 -1.576 1.00 13.35 C ATOM 895 C ASP A 54 32.945 3.648 -0.219 1.00 60.21 C ATOM 896 O ASP A 54 33.713 3.276 0.667 1.00 70.11 O ATOM 897 CB ASP A 54 34.470 5.250 -1.331 1.00 71.32 C ATOM 898 CG ASP A 54 35.320 5.642 -2.541 1.00 61.54 C ATOM 899 OD1 ASP A 54 35.587 6.829 -2.776 1.00 44.34 O ATOM 900 OD2 ASP A 54 35.719 4.654 -3.270 1.00 4.54 O ATOM 0 H ASP A 54 31.791 5.257 -2.006 1.00 11.53 H new ATOM 0 HA ASP A 54 34.002 3.289 -2.087 1.00 13.35 H new ATOM 0 HB2 ASP A 54 33.910 6.125 -1.001 1.00 71.32 H new ATOM 0 HB3 ASP A 54 35.135 4.970 -0.514 1.00 71.32 H new ATOM 906 N LEU A 55 31.626 3.692 -0.099 1.00 63.24 N ATOM 907 CA LEU A 55 30.973 3.288 1.134 1.00 11.31 C ATOM 908 C LEU A 55 30.551 1.821 1.027 1.00 44.44 C ATOM 909 O LEU A 55 30.373 1.302 -0.074 1.00 43.11 O ATOM 910 CB LEU A 55 29.819 4.237 1.464 1.00 10.14 C ATOM 911 CG LEU A 55 28.903 3.805 2.611 1.00 12.22 C ATOM 912 CD1 LEU A 55 28.332 5.021 3.345 1.00 64.43 C ATOM 913 CD2 LEU A 55 27.801 2.869 2.110 1.00 1.21 C ATOM 0 H LEU A 55 30.992 4.001 -0.836 1.00 63.24 H new ATOM 0 HA LEU A 55 31.665 3.360 1.973 1.00 11.31 H new ATOM 0 HB2 LEU A 55 30.236 5.214 1.707 1.00 10.14 H new ATOM 0 HB3 LEU A 55 29.211 4.364 0.568 1.00 10.14 H new ATOM 0 HG LEU A 55 29.499 3.245 3.331 1.00 12.22 H new ATOM 0 HD11 LEU A 55 27.685 4.686 4.155 1.00 64.43 H new ATOM 0 HD12 LEU A 55 29.149 5.615 3.755 1.00 64.43 H new ATOM 0 HD13 LEU A 55 27.756 5.629 2.648 1.00 64.43 H new ATOM 0 HD21 LEU A 55 27.164 2.577 2.945 1.00 1.21 H new ATOM 0 HD22 LEU A 55 27.201 3.383 1.359 1.00 1.21 H new ATOM 0 HD23 LEU A 55 28.252 1.980 1.669 1.00 1.21 H new ATOM 925 N THR A 56 30.404 1.195 2.185 1.00 70.14 N ATOM 926 CA THR A 56 30.007 -0.202 2.235 1.00 53.14 C ATOM 927 C THR A 56 28.598 -0.335 2.815 1.00 34.13 C ATOM 928 O THR A 56 28.076 0.606 3.411 1.00 4.23 O ATOM 929 CB THR A 56 31.067 -0.967 3.030 1.00 15.30 C ATOM 930 OG1 THR A 56 30.785 -0.639 4.388 1.00 74.50 O ATOM 931 CG2 THR A 56 32.478 -0.421 2.801 1.00 74.54 C ATOM 0 H THR A 56 30.553 1.629 3.096 1.00 70.14 H new ATOM 0 HA THR A 56 29.955 -0.635 1.236 1.00 53.14 H new ATOM 0 HB THR A 56 31.037 -2.021 2.755 1.00 15.30 H new ATOM 0 HG1 THR A 56 30.471 -1.439 4.859 1.00 74.50 H new ATOM 0 HG21 THR A 56 33.192 -0.999 3.388 1.00 74.54 H new ATOM 0 HG22 THR A 56 32.731 -0.499 1.744 1.00 74.54 H new ATOM 0 HG23 THR A 56 32.518 0.624 3.108 1.00 74.54 H new ATOM 939 N VAL A 57 28.021 -1.512 2.621 1.00 51.11 N ATOM 940 CA VAL A 57 26.682 -1.781 3.118 1.00 41.42 C ATOM 941 C VAL A 57 26.616 -1.434 4.607 1.00 65.33 C ATOM 942 O VAL A 57 25.621 -0.887 5.077 1.00 55.41 O ATOM 943 CB VAL A 57 26.296 -3.232 2.824 1.00 42.30 C ATOM 944 CG1 VAL A 57 24.928 -3.567 3.421 1.00 52.44 C ATOM 945 CG2 VAL A 57 26.322 -3.512 1.320 1.00 23.11 C ATOM 0 H VAL A 57 28.456 -2.290 2.126 1.00 51.11 H new ATOM 0 HA VAL A 57 25.952 -1.155 2.606 1.00 41.42 H new ATOM 0 HB VAL A 57 27.035 -3.878 3.298 1.00 42.30 H new ATOM 0 HG11 VAL A 57 24.678 -4.604 3.198 1.00 52.44 H new ATOM 0 HG12 VAL A 57 24.958 -3.426 4.501 1.00 52.44 H new ATOM 0 HG13 VAL A 57 24.172 -2.910 2.990 1.00 52.44 H new ATOM 0 HG21 VAL A 57 26.044 -4.550 1.138 1.00 23.11 H new ATOM 0 HG22 VAL A 57 25.615 -2.853 0.815 1.00 23.11 H new ATOM 0 HG23 VAL A 57 27.325 -3.332 0.934 1.00 23.11 H new ATOM 955 N GLY A 58 27.690 -1.768 5.307 1.00 5.10 N ATOM 956 CA GLY A 58 27.767 -1.499 6.733 1.00 64.11 C ATOM 957 C GLY A 58 27.231 -0.103 7.058 1.00 70.45 C ATOM 958 O GLY A 58 26.257 0.035 7.796 1.00 21.11 O ATOM 0 H GLY A 58 28.514 -2.222 4.913 1.00 5.10 H new ATOM 0 HA2 GLY A 58 27.194 -2.248 7.279 1.00 64.11 H new ATOM 0 HA3 GLY A 58 28.801 -1.582 7.067 1.00 64.11 H new ATOM 962 N GLN A 59 27.890 0.896 6.490 1.00 60.24 N ATOM 963 CA GLN A 59 27.492 2.276 6.709 1.00 34.22 C ATOM 964 C GLN A 59 25.975 2.420 6.564 1.00 3.03 C ATOM 965 O GLN A 59 25.319 3.004 7.425 1.00 34.42 O ATOM 966 CB GLN A 59 28.226 3.217 5.753 1.00 52.44 C ATOM 967 CG GLN A 59 29.741 3.119 5.942 1.00 51.30 C ATOM 968 CD GLN A 59 30.104 3.048 7.426 1.00 24.45 C ATOM 969 OE1 GLN A 59 29.603 3.794 8.252 1.00 70.54 O ATOM 970 NE2 GLN A 59 31.002 2.111 7.719 1.00 30.20 N ATOM 0 H GLN A 59 28.697 0.777 5.878 1.00 60.24 H new ATOM 0 HA GLN A 59 27.769 2.557 7.725 1.00 34.22 H new ATOM 0 HB2 GLN A 59 27.968 2.969 4.723 1.00 52.44 H new ATOM 0 HB3 GLN A 59 27.900 4.243 5.925 1.00 52.44 H new ATOM 0 HG2 GLN A 59 30.119 2.235 5.429 1.00 51.30 H new ATOM 0 HG3 GLN A 59 30.225 3.983 5.486 1.00 51.30 H new ATOM 0 HE21 GLN A 59 31.382 1.520 6.980 1.00 30.20 H new ATOM 0 HE22 GLN A 59 31.310 1.984 8.683 1.00 30.20 H new ATOM 979 N PHE A 60 25.463 1.878 5.469 1.00 45.32 N ATOM 980 CA PHE A 60 24.037 1.939 5.200 1.00 12.31 C ATOM 981 C PHE A 60 23.229 1.486 6.418 1.00 5.33 C ATOM 982 O PHE A 60 22.409 2.240 6.939 1.00 52.31 O ATOM 983 CB PHE A 60 23.760 0.986 4.036 1.00 32.32 C ATOM 984 CG PHE A 60 22.475 1.300 3.266 1.00 4.14 C ATOM 985 CD1 PHE A 60 22.351 2.481 2.604 1.00 45.31 C ATOM 986 CD2 PHE A 60 21.458 0.398 3.245 1.00 54.23 C ATOM 987 CE1 PHE A 60 21.159 2.773 1.889 1.00 25.04 C ATOM 988 CE2 PHE A 60 20.266 0.690 2.530 1.00 33.12 C ATOM 989 CZ PHE A 60 20.142 1.871 1.868 1.00 53.04 C ATOM 0 H PHE A 60 26.011 1.394 4.757 1.00 45.32 H new ATOM 0 HA PHE A 60 23.746 2.963 4.965 1.00 12.31 H new ATOM 0 HB2 PHE A 60 24.602 1.018 3.345 1.00 32.32 H new ATOM 0 HB3 PHE A 60 23.702 -0.033 4.420 1.00 32.32 H new ATOM 0 HD1 PHE A 60 23.159 3.197 2.622 1.00 45.31 H new ATOM 0 HD2 PHE A 60 21.556 -0.540 3.772 1.00 54.23 H new ATOM 0 HE1 PHE A 60 21.061 3.711 1.362 1.00 25.04 H new ATOM 0 HE2 PHE A 60 19.458 -0.026 2.512 1.00 33.12 H new ATOM 0 HZ PHE A 60 19.235 2.093 1.325 1.00 53.04 H new ATOM 999 N VAL A 61 23.491 0.257 6.837 1.00 34.15 N ATOM 1000 CA VAL A 61 22.799 -0.305 7.985 1.00 74.53 C ATOM 1001 C VAL A 61 22.748 0.735 9.105 1.00 2.30 C ATOM 1002 O VAL A 61 21.833 0.725 9.926 1.00 35.22 O ATOM 1003 CB VAL A 61 23.470 -1.612 8.412 1.00 22.12 C ATOM 1004 CG1 VAL A 61 22.664 -2.310 9.509 1.00 13.21 C ATOM 1005 CG2 VAL A 61 23.681 -2.538 7.213 1.00 74.33 C ATOM 0 H VAL A 61 24.172 -0.365 6.403 1.00 34.15 H new ATOM 0 HA VAL A 61 21.770 -0.553 7.726 1.00 74.53 H new ATOM 0 HB VAL A 61 24.450 -1.366 8.822 1.00 22.12 H new ATOM 0 HG11 VAL A 61 23.163 -3.236 9.794 1.00 13.21 H new ATOM 0 HG12 VAL A 61 22.589 -1.656 10.378 1.00 13.21 H new ATOM 0 HG13 VAL A 61 21.664 -2.536 9.138 1.00 13.21 H new ATOM 0 HG21 VAL A 61 24.160 -3.459 7.545 1.00 74.33 H new ATOM 0 HG22 VAL A 61 22.718 -2.772 6.760 1.00 74.33 H new ATOM 0 HG23 VAL A 61 24.317 -2.043 6.479 1.00 74.33 H new ATOM 1015 N TYR A 62 23.744 1.609 9.103 1.00 40.25 N ATOM 1016 CA TYR A 62 23.825 2.655 10.109 1.00 72.45 C ATOM 1017 C TYR A 62 22.987 3.869 9.705 1.00 15.45 C ATOM 1018 O TYR A 62 22.265 4.431 10.528 1.00 30.24 O ATOM 1019 CB TYR A 62 25.297 3.065 10.173 1.00 24.21 C ATOM 1020 CG TYR A 62 25.755 3.523 11.559 1.00 25.00 C ATOM 1021 CD1 TYR A 62 25.789 2.625 12.607 1.00 65.24 C ATOM 1022 CD2 TYR A 62 26.135 4.834 11.762 1.00 53.31 C ATOM 1023 CE1 TYR A 62 26.221 3.056 13.911 1.00 13.10 C ATOM 1024 CE2 TYR A 62 26.566 5.266 13.066 1.00 31.54 C ATOM 1025 CZ TYR A 62 26.588 4.355 14.077 1.00 54.14 C ATOM 1026 OH TYR A 62 26.995 4.762 15.309 1.00 52.44 O ATOM 0 H TYR A 62 24.502 1.614 8.421 1.00 40.25 H new ATOM 0 HA TYR A 62 23.449 2.296 11.067 1.00 72.45 H new ATOM 0 HB2 TYR A 62 25.912 2.222 9.858 1.00 24.21 H new ATOM 0 HB3 TYR A 62 25.471 3.871 9.460 1.00 24.21 H new ATOM 0 HD1 TYR A 62 25.491 1.599 12.449 1.00 65.24 H new ATOM 0 HD2 TYR A 62 26.109 5.536 10.942 1.00 53.31 H new ATOM 0 HE1 TYR A 62 26.253 2.363 14.739 1.00 13.10 H new ATOM 0 HE2 TYR A 62 26.865 6.289 13.238 1.00 31.54 H new ATOM 0 HH TYR A 62 27.227 5.714 15.279 1.00 52.44 H new ATOM 1036 N VAL A 63 23.110 4.240 8.439 1.00 32.43 N ATOM 1037 CA VAL A 63 22.372 5.378 7.917 1.00 24.51 C ATOM 1038 C VAL A 63 20.885 5.204 8.233 1.00 44.54 C ATOM 1039 O VAL A 63 20.272 6.076 8.847 1.00 20.21 O ATOM 1040 CB VAL A 63 22.651 5.540 6.421 1.00 3.15 C ATOM 1041 CG1 VAL A 63 21.569 6.388 5.751 1.00 75.21 C ATOM 1042 CG2 VAL A 63 24.040 6.137 6.184 1.00 21.44 C ATOM 0 H VAL A 63 23.710 3.773 7.759 1.00 32.43 H new ATOM 0 HA VAL A 63 22.700 6.300 8.397 1.00 24.51 H new ATOM 0 HB VAL A 63 22.630 4.549 5.967 1.00 3.15 H new ATOM 0 HG11 VAL A 63 21.791 6.488 4.689 1.00 75.21 H new ATOM 0 HG12 VAL A 63 20.600 5.906 5.875 1.00 75.21 H new ATOM 0 HG13 VAL A 63 21.544 7.376 6.211 1.00 75.21 H new ATOM 0 HG21 VAL A 63 24.213 6.242 5.113 1.00 21.44 H new ATOM 0 HG22 VAL A 63 24.101 7.116 6.659 1.00 21.44 H new ATOM 0 HG23 VAL A 63 24.797 5.479 6.611 1.00 21.44 H new ATOM 1052 N ILE A 64 20.349 4.074 7.798 1.00 74.04 N ATOM 1053 CA ILE A 64 18.945 3.775 8.026 1.00 50.50 C ATOM 1054 C ILE A 64 18.641 3.886 9.522 1.00 64.35 C ATOM 1055 O ILE A 64 17.721 4.598 9.921 1.00 62.50 O ATOM 1056 CB ILE A 64 18.581 2.417 7.423 1.00 1.20 C ATOM 1057 CG1 ILE A 64 18.484 2.502 5.898 1.00 3.34 C ATOM 1058 CG2 ILE A 64 17.299 1.865 8.049 1.00 54.41 C ATOM 1059 CD1 ILE A 64 19.866 2.703 5.272 1.00 55.33 C ATOM 0 H ILE A 64 20.861 3.354 7.289 1.00 74.04 H new ATOM 0 HA ILE A 64 18.313 4.503 7.517 1.00 50.50 H new ATOM 0 HB ILE A 64 19.381 1.715 7.656 1.00 1.20 H new ATOM 0 HG12 ILE A 64 18.033 1.590 5.507 1.00 3.34 H new ATOM 0 HG13 ILE A 64 17.830 3.327 5.617 1.00 3.34 H new ATOM 0 HG21 ILE A 64 17.063 0.899 7.603 1.00 54.41 H new ATOM 0 HG22 ILE A 64 17.442 1.743 9.123 1.00 54.41 H new ATOM 0 HG23 ILE A 64 16.478 2.559 7.868 1.00 54.41 H new ATOM 0 HD11 ILE A 64 19.769 2.760 4.188 1.00 55.33 H new ATOM 0 HD12 ILE A 64 20.304 3.628 5.647 1.00 55.33 H new ATOM 0 HD13 ILE A 64 20.510 1.864 5.535 1.00 55.33 H new ATOM 1071 N ARG A 65 19.432 3.170 10.308 1.00 44.44 N ATOM 1072 CA ARG A 65 19.260 3.179 11.750 1.00 32.24 C ATOM 1073 C ARG A 65 18.928 4.591 12.237 1.00 71.10 C ATOM 1074 O ARG A 65 18.201 4.759 13.215 1.00 53.54 O ATOM 1075 CB ARG A 65 20.523 2.686 12.459 1.00 1.41 C ATOM 1076 CG ARG A 65 20.272 2.494 13.956 1.00 22.21 C ATOM 1077 CD ARG A 65 21.033 1.277 14.487 1.00 13.04 C ATOM 1078 NE ARG A 65 22.426 1.654 14.813 1.00 64.22 N ATOM 1079 CZ ARG A 65 22.803 2.230 15.974 1.00 22.11 C ATOM 1080 NH1 ARG A 65 21.891 2.501 16.932 1.00 24.21 N ATOM 1081 NH2 ARG A 65 24.077 2.524 16.159 1.00 54.41 N ATOM 0 H ARG A 65 20.194 2.580 9.973 1.00 44.44 H new ATOM 0 HA ARG A 65 18.437 2.506 11.989 1.00 32.24 H new ATOM 0 HB2 ARG A 65 20.848 1.744 12.017 1.00 1.41 H new ATOM 0 HB3 ARG A 65 21.331 3.403 12.311 1.00 1.41 H new ATOM 0 HG2 ARG A 65 20.583 3.387 14.498 1.00 22.21 H new ATOM 0 HG3 ARG A 65 19.205 2.367 14.136 1.00 22.21 H new ATOM 0 HD2 ARG A 65 20.536 0.886 15.375 1.00 13.04 H new ATOM 0 HD3 ARG A 65 21.028 0.481 13.742 1.00 13.04 H new ATOM 0 HE ARG A 65 23.147 1.467 14.116 1.00 64.22 H new ATOM 0 HH11 ARG A 65 20.909 2.270 16.781 1.00 24.21 H new ATOM 0 HH12 ARG A 65 22.184 2.936 17.807 1.00 24.21 H new ATOM 0 HH21 ARG A 65 24.760 2.316 15.430 1.00 54.41 H new ATOM 0 HH22 ARG A 65 24.379 2.960 17.031 1.00 54.41 H new ATOM 1094 N LYS A 66 19.477 5.569 11.532 1.00 11.54 N ATOM 1095 CA LYS A 66 19.248 6.962 11.880 1.00 23.44 C ATOM 1096 C LYS A 66 17.890 7.404 11.331 1.00 24.31 C ATOM 1097 O LYS A 66 17.094 8.009 12.047 1.00 23.23 O ATOM 1098 CB LYS A 66 20.415 7.831 11.408 1.00 64.33 C ATOM 1099 CG LYS A 66 21.497 7.929 12.485 1.00 25.31 C ATOM 1100 CD LYS A 66 22.753 7.157 12.073 1.00 51.30 C ATOM 1101 CE LYS A 66 23.872 7.343 13.100 1.00 60.14 C ATOM 1102 NZ LYS A 66 24.579 8.623 12.870 1.00 62.52 N ATOM 0 H LYS A 66 20.080 5.425 10.722 1.00 11.54 H new ATOM 0 HA LYS A 66 19.209 7.083 12.963 1.00 23.44 H new ATOM 0 HB2 LYS A 66 20.841 7.410 10.497 1.00 64.33 H new ATOM 0 HB3 LYS A 66 20.053 8.829 11.160 1.00 64.33 H new ATOM 0 HG2 LYS A 66 21.749 8.975 12.658 1.00 25.31 H new ATOM 0 HG3 LYS A 66 21.115 7.533 13.426 1.00 25.31 H new ATOM 0 HD2 LYS A 66 22.517 6.097 11.975 1.00 51.30 H new ATOM 0 HD3 LYS A 66 23.091 7.500 11.095 1.00 51.30 H new ATOM 0 HE2 LYS A 66 23.456 7.327 14.107 1.00 60.14 H new ATOM 0 HE3 LYS A 66 24.577 6.514 13.033 1.00 60.14 H new ATOM 0 HZ1 LYS A 66 25.335 8.734 13.575 1.00 62.52 H new ATOM 0 HZ2 LYS A 66 24.993 8.624 11.916 1.00 62.52 H new ATOM 0 HZ3 LYS A 66 23.907 9.412 12.957 1.00 62.52 H new ATOM 1115 N ARG A 67 17.668 7.084 10.065 1.00 52.22 N ATOM 1116 CA ARG A 67 16.420 7.441 9.411 1.00 20.21 C ATOM 1117 C ARG A 67 15.232 6.875 10.191 1.00 74.31 C ATOM 1118 O ARG A 67 14.141 7.443 10.166 1.00 31.10 O ATOM 1119 CB ARG A 67 16.379 6.911 7.976 1.00 12.04 C ATOM 1120 CG ARG A 67 17.141 7.838 7.027 1.00 11.24 C ATOM 1121 CD ARG A 67 18.616 7.442 6.941 1.00 22.02 C ATOM 1122 NE ARG A 67 19.268 8.158 5.822 1.00 72.13 N ATOM 1123 CZ ARG A 67 19.789 9.399 5.919 1.00 45.34 C ATOM 1124 NH1 ARG A 67 19.740 10.074 7.087 1.00 70.01 N ATOM 1125 NH2 ARG A 67 20.349 9.943 4.854 1.00 55.51 N ATOM 0 H ARG A 67 18.331 6.582 9.474 1.00 52.22 H new ATOM 0 HA ARG A 67 16.358 8.529 9.386 1.00 20.21 H new ATOM 0 HB2 ARG A 67 16.814 5.912 7.941 1.00 12.04 H new ATOM 0 HB3 ARG A 67 15.344 6.820 7.648 1.00 12.04 H new ATOM 0 HG2 ARG A 67 16.692 7.798 6.035 1.00 11.24 H new ATOM 0 HG3 ARG A 67 17.057 8.868 7.374 1.00 11.24 H new ATOM 0 HD2 ARG A 67 19.120 7.679 7.878 1.00 22.02 H new ATOM 0 HD3 ARG A 67 18.704 6.365 6.795 1.00 22.02 H new ATOM 0 HE ARG A 67 19.327 7.684 4.921 1.00 72.13 H new ATOM 0 HH11 ARG A 67 19.307 9.646 7.905 1.00 70.01 H new ATOM 0 HH12 ARG A 67 20.136 11.012 7.151 1.00 70.01 H new ATOM 0 HH21 ARG A 67 20.383 9.426 3.975 1.00 55.51 H new ATOM 0 HH22 ARG A 67 20.748 10.880 4.910 1.00 55.51 H new ATOM 1138 N ILE A 68 15.483 5.762 10.865 1.00 50.10 N ATOM 1139 CA ILE A 68 14.447 5.113 11.651 1.00 63.13 C ATOM 1140 C ILE A 68 14.736 5.321 13.139 1.00 65.43 C ATOM 1141 O ILE A 68 13.891 5.035 13.985 1.00 73.12 O ATOM 1142 CB ILE A 68 14.313 3.643 11.250 1.00 61.54 C ATOM 1143 CG1 ILE A 68 15.661 3.070 10.808 1.00 61.55 C ATOM 1144 CG2 ILE A 68 13.235 3.462 10.179 1.00 12.41 C ATOM 1145 CD1 ILE A 68 15.649 1.540 10.855 1.00 0.30 C ATOM 0 H ILE A 68 16.389 5.293 10.883 1.00 50.10 H new ATOM 0 HA ILE A 68 13.476 5.565 11.449 1.00 63.13 H new ATOM 0 HB ILE A 68 13.994 3.078 12.126 1.00 61.54 H new ATOM 0 HG12 ILE A 68 15.888 3.404 9.796 1.00 61.55 H new ATOM 0 HG13 ILE A 68 16.452 3.451 11.454 1.00 61.55 H new ATOM 0 HG21 ILE A 68 13.161 2.408 9.912 1.00 12.41 H new ATOM 0 HG22 ILE A 68 12.276 3.807 10.566 1.00 12.41 H new ATOM 0 HG23 ILE A 68 13.499 4.042 9.295 1.00 12.41 H new ATOM 0 HD11 ILE A 68 16.619 1.159 10.536 1.00 0.30 H new ATOM 0 HD12 ILE A 68 15.446 1.209 11.873 1.00 0.30 H new ATOM 0 HD13 ILE A 68 14.874 1.162 10.189 1.00 0.30 H new ATOM 1157 N MET A 69 15.934 5.816 13.412 1.00 3.34 N ATOM 1158 CA MET A 69 16.346 6.066 14.784 1.00 75.44 C ATOM 1159 C MET A 69 15.902 4.927 15.705 1.00 52.33 C ATOM 1160 O MET A 69 15.292 5.168 16.745 1.00 33.03 O ATOM 1161 CB MET A 69 15.735 7.382 15.268 1.00 4.24 C ATOM 1162 CG MET A 69 14.207 7.335 15.204 1.00 64.13 C ATOM 1163 SD MET A 69 13.517 8.766 16.017 1.00 4.11 S ATOM 1164 CE MET A 69 14.133 10.057 14.949 1.00 63.32 C ATOM 0 H MET A 69 16.633 6.051 12.707 1.00 3.34 H new ATOM 0 HA MET A 69 17.434 6.128 14.812 1.00 75.44 H new ATOM 0 HB2 MET A 69 16.053 7.580 16.291 1.00 4.24 H new ATOM 0 HB3 MET A 69 16.103 8.205 14.655 1.00 4.24 H new ATOM 0 HG2 MET A 69 13.879 7.304 14.165 1.00 64.13 H new ATOM 0 HG3 MET A 69 13.843 6.425 15.681 1.00 64.13 H new ATOM 0 HE1 MET A 69 13.521 10.951 15.068 1.00 63.32 H new ATOM 0 HE2 MET A 69 15.165 10.286 15.213 1.00 63.32 H new ATOM 0 HE3 MET A 69 14.089 9.723 13.912 1.00 63.32 H new ATOM 1174 N LEU A 70 16.226 3.712 15.289 1.00 74.24 N ATOM 1175 CA LEU A 70 15.868 2.536 16.063 1.00 21.43 C ATOM 1176 C LEU A 70 16.604 2.570 17.404 1.00 3.11 C ATOM 1177 O LEU A 70 17.565 3.320 17.570 1.00 63.35 O ATOM 1178 CB LEU A 70 16.124 1.263 15.254 1.00 70.32 C ATOM 1179 CG LEU A 70 14.965 0.779 14.380 1.00 52.20 C ATOM 1180 CD1 LEU A 70 15.438 -0.272 13.374 1.00 40.42 C ATOM 1181 CD2 LEU A 70 13.806 0.269 15.239 1.00 1.21 C ATOM 0 H LEU A 70 16.733 3.516 14.426 1.00 74.24 H new ATOM 0 HA LEU A 70 14.801 2.536 16.284 1.00 21.43 H new ATOM 0 HB2 LEU A 70 16.990 1.431 14.614 1.00 70.32 H new ATOM 0 HB3 LEU A 70 16.389 0.464 15.946 1.00 70.32 H new ATOM 0 HG LEU A 70 14.592 1.628 13.807 1.00 52.20 H new ATOM 0 HD11 LEU A 70 14.595 -0.599 12.766 1.00 40.42 H new ATOM 0 HD12 LEU A 70 16.204 0.160 12.730 1.00 40.42 H new ATOM 0 HD13 LEU A 70 15.853 -1.127 13.909 1.00 40.42 H new ATOM 0 HD21 LEU A 70 12.996 -0.069 14.593 1.00 1.21 H new ATOM 0 HD22 LEU A 70 14.149 -0.562 15.856 1.00 1.21 H new ATOM 0 HD23 LEU A 70 13.447 1.074 15.881 1.00 1.21 H new ATOM 1193 N PRO A 71 16.112 1.728 18.352 1.00 65.33 N ATOM 1194 CA PRO A 71 16.713 1.655 19.673 1.00 60.23 C ATOM 1195 C PRO A 71 18.038 0.891 19.631 1.00 31.44 C ATOM 1196 O PRO A 71 18.272 0.096 18.723 1.00 60.44 O ATOM 1197 CB PRO A 71 15.666 0.981 20.544 1.00 13.34 C ATOM 1198 CG PRO A 71 14.712 0.286 19.587 1.00 35.33 C ATOM 1199 CD PRO A 71 14.976 0.825 18.191 1.00 11.52 C ATOM 0 HA PRO A 71 16.973 2.635 20.072 1.00 60.23 H new ATOM 0 HB2 PRO A 71 16.127 0.265 21.225 1.00 13.34 H new ATOM 0 HB3 PRO A 71 15.140 1.712 21.158 1.00 13.34 H new ATOM 0 HG2 PRO A 71 14.863 -0.793 19.614 1.00 35.33 H new ATOM 0 HG3 PRO A 71 13.678 0.471 19.878 1.00 35.33 H new ATOM 0 HD2 PRO A 71 15.205 0.020 17.493 1.00 11.52 H new ATOM 0 HD3 PRO A 71 14.105 1.350 17.798 1.00 11.52 H new ATOM 1207 N PRO A 72 18.892 1.166 20.653 1.00 21.54 N ATOM 1208 CA PRO A 72 20.187 0.513 20.742 1.00 2.04 C ATOM 1209 C PRO A 72 20.040 -0.937 21.209 1.00 10.55 C ATOM 1210 O PRO A 72 21.030 -1.657 21.332 1.00 13.40 O ATOM 1211 CB PRO A 72 20.993 1.369 21.706 1.00 64.41 C ATOM 1212 CG PRO A 72 19.979 2.198 22.476 1.00 33.10 C ATOM 1213 CD PRO A 72 18.648 2.101 21.747 1.00 4.42 C ATOM 0 HA PRO A 72 20.689 0.442 19.777 1.00 2.04 H new ATOM 0 HB2 PRO A 72 21.582 0.748 22.381 1.00 64.41 H new ATOM 0 HB3 PRO A 72 21.693 2.009 21.168 1.00 64.41 H new ATOM 0 HG2 PRO A 72 19.882 1.831 23.498 1.00 33.10 H new ATOM 0 HG3 PRO A 72 20.304 3.236 22.540 1.00 33.10 H new ATOM 0 HD2 PRO A 72 17.860 1.740 22.408 1.00 4.42 H new ATOM 0 HD3 PRO A 72 18.330 3.074 21.373 1.00 4.42 H new ATOM 1221 N GLU A 73 18.797 -1.321 21.457 1.00 33.43 N ATOM 1222 CA GLU A 73 18.507 -2.672 21.908 1.00 21.10 C ATOM 1223 C GLU A 73 18.023 -3.530 20.737 1.00 24.12 C ATOM 1224 O GLU A 73 17.964 -4.754 20.843 1.00 34.12 O ATOM 1225 CB GLU A 73 17.480 -2.663 23.042 1.00 23.32 C ATOM 1226 CG GLU A 73 16.056 -2.570 22.492 1.00 72.35 C ATOM 1227 CD GLU A 73 15.032 -2.508 23.627 1.00 60.41 C ATOM 1228 OE1 GLU A 73 14.991 -1.517 24.371 1.00 74.31 O ATOM 1229 OE2 GLU A 73 14.260 -3.537 23.722 1.00 70.54 O ATOM 0 H GLU A 73 17.979 -0.721 21.354 1.00 33.43 H new ATOM 0 HA GLU A 73 19.426 -3.109 22.298 1.00 21.10 H new ATOM 0 HB2 GLU A 73 17.584 -3.569 23.639 1.00 23.32 H new ATOM 0 HB3 GLU A 73 17.673 -1.820 23.705 1.00 23.32 H new ATOM 0 HG2 GLU A 73 15.962 -1.684 21.864 1.00 72.35 H new ATOM 0 HG3 GLU A 73 15.850 -3.433 21.859 1.00 72.35 H new ATOM 1237 N LYS A 74 17.691 -2.854 19.647 1.00 33.05 N ATOM 1238 CA LYS A 74 17.214 -3.539 18.458 1.00 62.20 C ATOM 1239 C LYS A 74 18.385 -3.758 17.497 1.00 13.32 C ATOM 1240 O LYS A 74 19.510 -3.352 17.782 1.00 24.02 O ATOM 1241 CB LYS A 74 16.041 -2.779 17.835 1.00 23.15 C ATOM 1242 CG LYS A 74 14.706 -3.284 18.387 1.00 3.42 C ATOM 1243 CD LYS A 74 13.596 -3.150 17.343 1.00 31.11 C ATOM 1244 CE LYS A 74 13.387 -4.468 16.594 1.00 14.30 C ATOM 1245 NZ LYS A 74 12.754 -5.472 17.478 1.00 11.33 N ATOM 0 H LYS A 74 17.743 -1.839 19.562 1.00 33.05 H new ATOM 0 HA LYS A 74 16.824 -4.523 18.716 1.00 62.20 H new ATOM 0 HB2 LYS A 74 16.144 -1.713 18.040 1.00 23.15 H new ATOM 0 HB3 LYS A 74 16.060 -2.899 16.752 1.00 23.15 H new ATOM 0 HG2 LYS A 74 14.804 -4.327 18.687 1.00 3.42 H new ATOM 0 HG3 LYS A 74 14.440 -2.719 19.280 1.00 3.42 H new ATOM 0 HD2 LYS A 74 12.667 -2.853 17.830 1.00 31.11 H new ATOM 0 HD3 LYS A 74 13.851 -2.361 16.635 1.00 31.11 H new ATOM 0 HE2 LYS A 74 12.761 -4.300 15.718 1.00 14.30 H new ATOM 0 HE3 LYS A 74 14.345 -4.844 16.234 1.00 14.30 H new ATOM 0 HZ1 LYS A 74 12.272 -6.189 16.899 1.00 11.33 H new ATOM 0 HZ2 LYS A 74 13.483 -5.930 18.061 1.00 11.33 H new ATOM 0 HZ3 LYS A 74 12.061 -5.003 18.096 1.00 11.33 H new ATOM 1258 N ALA A 75 18.079 -4.398 16.379 1.00 72.44 N ATOM 1259 CA ALA A 75 19.091 -4.676 15.374 1.00 4.21 C ATOM 1260 C ALA A 75 18.419 -4.840 14.010 1.00 52.43 C ATOM 1261 O ALA A 75 17.743 -5.837 13.762 1.00 22.35 O ATOM 1262 CB ALA A 75 19.890 -5.915 15.783 1.00 62.01 C ATOM 0 H ALA A 75 17.144 -4.733 16.146 1.00 72.44 H new ATOM 0 HA ALA A 75 19.793 -3.846 15.297 1.00 4.21 H new ATOM 0 HB1 ALA A 75 20.649 -6.124 15.029 1.00 62.01 H new ATOM 0 HB2 ALA A 75 20.372 -5.736 16.744 1.00 62.01 H new ATOM 0 HB3 ALA A 75 19.218 -6.769 15.868 1.00 62.01 H new ATOM 1268 N ILE A 76 18.627 -3.845 13.160 1.00 41.22 N ATOM 1269 CA ILE A 76 18.049 -3.866 11.827 1.00 62.03 C ATOM 1270 C ILE A 76 19.078 -4.420 10.838 1.00 12.55 C ATOM 1271 O ILE A 76 20.282 -4.330 11.075 1.00 74.40 O ATOM 1272 CB ILE A 76 17.518 -2.481 11.451 1.00 64.23 C ATOM 1273 CG1 ILE A 76 16.436 -2.583 10.374 1.00 41.40 C ATOM 1274 CG2 ILE A 76 18.659 -1.552 11.031 1.00 23.10 C ATOM 1275 CD1 ILE A 76 15.930 -1.196 9.973 1.00 14.43 C ATOM 0 H ILE A 76 19.188 -3.019 13.369 1.00 41.22 H new ATOM 0 HA ILE A 76 17.186 -4.532 11.796 1.00 62.03 H new ATOM 0 HB ILE A 76 17.053 -2.042 12.334 1.00 64.23 H new ATOM 0 HG12 ILE A 76 16.836 -3.095 9.499 1.00 41.40 H new ATOM 0 HG13 ILE A 76 15.605 -3.184 10.744 1.00 41.40 H new ATOM 0 HG21 ILE A 76 18.254 -0.574 10.769 1.00 23.10 H new ATOM 0 HG22 ILE A 76 19.363 -1.444 11.856 1.00 23.10 H new ATOM 0 HG23 ILE A 76 19.174 -1.975 10.168 1.00 23.10 H new ATOM 0 HD11 ILE A 76 15.162 -1.297 9.206 1.00 14.43 H new ATOM 0 HD12 ILE A 76 15.509 -0.696 10.845 1.00 14.43 H new ATOM 0 HD13 ILE A 76 16.758 -0.606 9.581 1.00 14.43 H new ATOM 1287 N PHE A 77 18.566 -4.979 9.752 1.00 11.11 N ATOM 1288 CA PHE A 77 19.425 -5.547 8.727 1.00 51.20 C ATOM 1289 C PHE A 77 18.928 -5.176 7.328 1.00 5.21 C ATOM 1290 O PHE A 77 17.729 -5.004 7.116 1.00 20.15 O ATOM 1291 CB PHE A 77 19.369 -7.067 8.888 1.00 30.24 C ATOM 1292 CG PHE A 77 19.772 -7.560 10.280 1.00 60.44 C ATOM 1293 CD1 PHE A 77 21.082 -7.784 10.569 1.00 40.32 C ATOM 1294 CD2 PHE A 77 18.820 -7.776 11.227 1.00 42.50 C ATOM 1295 CE1 PHE A 77 21.456 -8.241 11.860 1.00 61.41 C ATOM 1296 CE2 PHE A 77 19.194 -8.233 12.518 1.00 23.20 C ATOM 1297 CZ PHE A 77 20.504 -8.456 12.807 1.00 23.53 C ATOM 0 H PHE A 77 17.567 -5.051 9.559 1.00 11.11 H new ATOM 0 HA PHE A 77 20.439 -5.163 8.837 1.00 51.20 H new ATOM 0 HB2 PHE A 77 18.357 -7.408 8.672 1.00 30.24 H new ATOM 0 HB3 PHE A 77 20.025 -7.525 8.147 1.00 30.24 H new ATOM 0 HD1 PHE A 77 21.838 -7.614 9.816 1.00 40.32 H new ATOM 0 HD2 PHE A 77 17.780 -7.600 10.997 1.00 42.50 H new ATOM 0 HE1 PHE A 77 22.496 -8.418 12.090 1.00 61.41 H new ATOM 0 HE2 PHE A 77 18.438 -8.404 13.270 1.00 23.20 H new ATOM 0 HZ PHE A 77 20.788 -8.804 13.789 1.00 23.53 H new ATOM 1307 N ILE A 78 19.876 -5.063 6.409 1.00 3.12 N ATOM 1308 CA ILE A 78 19.550 -4.715 5.037 1.00 63.45 C ATOM 1309 C ILE A 78 19.540 -5.985 4.182 1.00 15.34 C ATOM 1310 O ILE A 78 20.139 -6.993 4.554 1.00 12.52 O ATOM 1311 CB ILE A 78 20.499 -3.633 4.518 1.00 65.20 C ATOM 1312 CG1 ILE A 78 20.905 -2.676 5.640 1.00 0.15 C ATOM 1313 CG2 ILE A 78 19.889 -2.893 3.326 1.00 35.32 C ATOM 1314 CD1 ILE A 78 19.677 -2.011 6.265 1.00 75.04 C ATOM 0 H ILE A 78 20.870 -5.206 6.588 1.00 3.12 H new ATOM 0 HA ILE A 78 18.551 -4.284 4.981 1.00 63.45 H new ATOM 0 HB ILE A 78 21.408 -4.118 4.164 1.00 65.20 H new ATOM 0 HG12 ILE A 78 21.457 -3.221 6.406 1.00 0.15 H new ATOM 0 HG13 ILE A 78 21.576 -1.912 5.246 1.00 0.15 H new ATOM 0 HG21 ILE A 78 20.584 -2.130 2.977 1.00 35.32 H new ATOM 0 HG22 ILE A 78 19.693 -3.600 2.520 1.00 35.32 H new ATOM 0 HG23 ILE A 78 18.955 -2.421 3.630 1.00 35.32 H new ATOM 0 HD11 ILE A 78 19.994 -1.336 7.060 1.00 75.04 H new ATOM 0 HD12 ILE A 78 19.141 -1.447 5.502 1.00 75.04 H new ATOM 0 HD13 ILE A 78 19.020 -2.776 6.679 1.00 75.04 H new ATOM 1326 N PHE A 79 18.852 -5.894 3.054 1.00 74.33 N ATOM 1327 CA PHE A 79 18.755 -7.023 2.144 1.00 71.02 C ATOM 1328 C PHE A 79 18.675 -6.551 0.691 1.00 41.43 C ATOM 1329 O PHE A 79 18.191 -5.453 0.417 1.00 65.34 O ATOM 1330 CB PHE A 79 17.468 -7.772 2.495 1.00 21.15 C ATOM 1331 CG PHE A 79 17.412 -8.267 3.942 1.00 20.41 C ATOM 1332 CD1 PHE A 79 17.279 -7.377 4.961 1.00 1.32 C ATOM 1333 CD2 PHE A 79 17.495 -9.598 4.209 1.00 62.42 C ATOM 1334 CE1 PHE A 79 17.227 -7.836 6.304 1.00 62.44 C ATOM 1335 CE2 PHE A 79 17.443 -10.058 5.551 1.00 22.13 C ATOM 1336 CZ PHE A 79 17.310 -9.167 6.570 1.00 23.34 C ATOM 0 H PHE A 79 18.356 -5.056 2.749 1.00 74.33 H new ATOM 0 HA PHE A 79 19.636 -7.658 2.244 1.00 71.02 H new ATOM 0 HB2 PHE A 79 16.617 -7.116 2.313 1.00 21.15 H new ATOM 0 HB3 PHE A 79 17.362 -8.625 1.825 1.00 21.15 H new ATOM 0 HD1 PHE A 79 17.213 -6.320 4.749 1.00 1.32 H new ATOM 0 HD2 PHE A 79 17.601 -10.305 3.400 1.00 62.42 H new ATOM 0 HE1 PHE A 79 17.122 -7.129 7.113 1.00 62.44 H new ATOM 0 HE2 PHE A 79 17.509 -11.115 5.763 1.00 22.13 H new ATOM 0 HZ PHE A 79 17.270 -9.517 7.591 1.00 23.34 H new ATOM 1346 N VAL A 80 19.157 -7.403 -0.202 1.00 52.54 N ATOM 1347 CA VAL A 80 19.146 -7.086 -1.620 1.00 41.05 C ATOM 1348 C VAL A 80 18.716 -8.323 -2.411 1.00 52.04 C ATOM 1349 O VAL A 80 19.328 -9.383 -2.294 1.00 32.45 O ATOM 1350 CB VAL A 80 20.514 -6.549 -2.047 1.00 71.43 C ATOM 1351 CG1 VAL A 80 21.150 -5.720 -0.930 1.00 42.34 C ATOM 1352 CG2 VAL A 80 21.439 -7.689 -2.479 1.00 42.44 C ATOM 0 H VAL A 80 19.558 -8.312 0.029 1.00 52.54 H new ATOM 0 HA VAL A 80 18.423 -6.298 -1.830 1.00 41.05 H new ATOM 0 HB VAL A 80 20.365 -5.895 -2.906 1.00 71.43 H new ATOM 0 HG11 VAL A 80 22.121 -5.350 -1.259 1.00 42.34 H new ATOM 0 HG12 VAL A 80 20.503 -4.876 -0.690 1.00 42.34 H new ATOM 0 HG13 VAL A 80 21.280 -6.342 -0.044 1.00 42.34 H new ATOM 0 HG21 VAL A 80 22.405 -7.281 -2.778 1.00 42.44 H new ATOM 0 HG22 VAL A 80 21.579 -8.379 -1.647 1.00 42.44 H new ATOM 0 HG23 VAL A 80 20.994 -8.220 -3.320 1.00 42.44 H new ATOM 1362 N ASN A 81 17.666 -8.146 -3.200 1.00 61.02 N ATOM 1363 CA ASN A 81 17.147 -9.235 -4.010 1.00 52.34 C ATOM 1364 C ASN A 81 16.820 -10.426 -3.107 1.00 42.15 C ATOM 1365 O ASN A 81 17.261 -11.545 -3.366 1.00 3.40 O ATOM 1366 CB ASN A 81 18.178 -9.693 -5.043 1.00 62.12 C ATOM 1367 CG ASN A 81 18.367 -8.638 -6.135 1.00 74.45 C ATOM 1368 OD1 ASN A 81 18.953 -7.522 -5.714 1.00 24.10 O flip ATOM 1369 ND2 ASN A 81 18.003 -8.826 -7.285 1.00 3.22 N flip ATOM 0 H ASN A 81 17.161 -7.265 -3.295 1.00 61.02 H new ATOM 0 HA ASN A 81 16.256 -8.877 -4.525 1.00 52.34 H new ATOM 0 HB2 ASN A 81 19.131 -9.886 -4.550 1.00 62.12 H new ATOM 0 HB3 ASN A 81 17.855 -10.632 -5.492 1.00 62.12 H new ATOM 0 HD21 ASN A 81 17.559 -9.708 -7.542 1.00 3.22 H new ATOM 0 HD22 ASN A 81 18.143 -8.102 -7.989 1.00 3.22 H new ATOM 1376 N ASP A 82 16.050 -10.145 -2.067 1.00 0.03 N ATOM 1377 CA ASP A 82 15.659 -11.179 -1.124 1.00 22.40 C ATOM 1378 C ASP A 82 16.910 -11.904 -0.621 1.00 54.21 C ATOM 1379 O ASP A 82 16.928 -13.131 -0.534 1.00 52.43 O ATOM 1380 CB ASP A 82 14.748 -12.214 -1.788 1.00 3.12 C ATOM 1381 CG ASP A 82 13.846 -12.992 -0.828 1.00 2.13 C ATOM 1382 OD1 ASP A 82 12.863 -12.454 -0.298 1.00 54.30 O ATOM 1383 OD2 ASP A 82 14.192 -14.218 -0.627 1.00 64.34 O ATOM 0 H ASP A 82 15.686 -9.216 -1.856 1.00 0.03 H new ATOM 0 HA ASP A 82 15.124 -10.702 -0.303 1.00 22.40 H new ATOM 0 HB2 ASP A 82 14.121 -11.707 -2.521 1.00 3.12 H new ATOM 0 HB3 ASP A 82 15.368 -12.924 -2.336 1.00 3.12 H new ATOM 1389 N THR A 83 17.924 -11.114 -0.303 1.00 4.20 N ATOM 1390 CA THR A 83 19.176 -11.664 0.189 1.00 71.40 C ATOM 1391 C THR A 83 19.781 -10.747 1.253 1.00 14.42 C ATOM 1392 O THR A 83 19.301 -9.634 1.463 1.00 10.44 O ATOM 1393 CB THR A 83 20.097 -11.892 -1.012 1.00 14.04 C ATOM 1394 OG1 THR A 83 20.687 -13.164 -0.760 1.00 71.32 O ATOM 1395 CG2 THR A 83 21.284 -10.927 -1.030 1.00 22.41 C ATOM 0 H THR A 83 17.905 -10.097 -0.376 1.00 4.20 H new ATOM 0 HA THR A 83 19.019 -12.623 0.683 1.00 71.40 H new ATOM 0 HB THR A 83 19.526 -11.782 -1.934 1.00 14.04 H new ATOM 0 HG1 THR A 83 21.298 -13.392 -1.491 1.00 71.32 H new ATOM 0 HG21 THR A 83 21.906 -11.131 -1.902 1.00 22.41 H new ATOM 0 HG22 THR A 83 20.918 -9.901 -1.077 1.00 22.41 H new ATOM 0 HG23 THR A 83 21.875 -11.060 -0.124 1.00 22.41 H new ATOM 1403 N LEU A 84 20.825 -11.247 1.896 1.00 20.45 N ATOM 1404 CA LEU A 84 21.500 -10.486 2.934 1.00 64.32 C ATOM 1405 C LEU A 84 23.001 -10.448 2.637 1.00 31.11 C ATOM 1406 O LEU A 84 23.732 -11.368 2.998 1.00 24.55 O ATOM 1407 CB LEU A 84 21.161 -11.047 4.316 1.00 10.34 C ATOM 1408 CG LEU A 84 21.269 -10.063 5.484 1.00 70.43 C ATOM 1409 CD1 LEU A 84 20.177 -10.324 6.523 1.00 70.10 C ATOM 1410 CD2 LEU A 84 22.668 -10.098 6.102 1.00 42.54 C ATOM 0 H LEU A 84 21.221 -12.170 1.719 1.00 20.45 H new ATOM 0 HA LEU A 84 21.149 -9.454 2.940 1.00 64.32 H new ATOM 0 HB2 LEU A 84 20.144 -11.437 4.288 1.00 10.34 H new ATOM 0 HB3 LEU A 84 21.821 -11.891 4.516 1.00 10.34 H new ATOM 0 HG LEU A 84 21.112 -9.056 5.098 1.00 70.43 H new ATOM 0 HD11 LEU A 84 20.276 -9.612 7.342 1.00 70.10 H new ATOM 0 HD12 LEU A 84 19.198 -10.209 6.058 1.00 70.10 H new ATOM 0 HD13 LEU A 84 20.278 -11.338 6.910 1.00 70.10 H new ATOM 0 HD21 LEU A 84 22.718 -9.390 6.929 1.00 42.54 H new ATOM 0 HD22 LEU A 84 22.878 -11.102 6.470 1.00 42.54 H new ATOM 0 HD23 LEU A 84 23.406 -9.827 5.347 1.00 42.54 H new ATOM 1422 N PRO A 85 23.426 -9.345 1.965 1.00 72.04 N ATOM 1423 CA PRO A 85 24.826 -9.175 1.615 1.00 12.32 C ATOM 1424 C PRO A 85 25.654 -8.788 2.842 1.00 21.22 C ATOM 1425 O PRO A 85 25.101 -8.467 3.893 1.00 41.42 O ATOM 1426 CB PRO A 85 24.834 -8.108 0.533 1.00 42.33 C ATOM 1427 CG PRO A 85 23.498 -7.391 0.644 1.00 44.22 C ATOM 1428 CD PRO A 85 22.588 -8.235 1.521 1.00 51.14 C ATOM 0 HA PRO A 85 25.284 -10.095 1.252 1.00 12.32 H new ATOM 0 HB2 PRO A 85 25.663 -7.414 0.675 1.00 42.33 H new ATOM 0 HB3 PRO A 85 24.957 -8.554 -0.454 1.00 42.33 H new ATOM 0 HG2 PRO A 85 23.632 -6.399 1.076 1.00 44.22 H new ATOM 0 HG3 PRO A 85 23.056 -7.252 -0.343 1.00 44.22 H new ATOM 0 HD2 PRO A 85 22.210 -7.661 2.367 1.00 51.14 H new ATOM 0 HD3 PRO A 85 21.721 -8.591 0.965 1.00 51.14 H new ATOM 1436 N PRO A 86 27.002 -8.833 2.664 1.00 74.54 N ATOM 1437 CA PRO A 86 27.912 -8.492 3.743 1.00 14.25 C ATOM 1438 C PRO A 86 27.957 -6.978 3.964 1.00 31.43 C ATOM 1439 O PRO A 86 27.584 -6.207 3.081 1.00 24.24 O ATOM 1440 CB PRO A 86 29.253 -9.072 3.326 1.00 41.42 C ATOM 1441 CG PRO A 86 29.157 -9.308 1.827 1.00 34.13 C ATOM 1442 CD PRO A 86 27.692 -9.210 1.433 1.00 11.24 C ATOM 0 HA PRO A 86 27.598 -8.902 4.703 1.00 14.25 H new ATOM 0 HB2 PRO A 86 30.066 -8.385 3.562 1.00 41.42 H new ATOM 0 HB3 PRO A 86 29.458 -10.002 3.856 1.00 41.42 H new ATOM 0 HG2 PRO A 86 29.748 -8.569 1.286 1.00 34.13 H new ATOM 0 HG3 PRO A 86 29.557 -10.288 1.568 1.00 34.13 H new ATOM 0 HD2 PRO A 86 27.541 -8.466 0.651 1.00 11.24 H new ATOM 0 HD3 PRO A 86 27.322 -10.159 1.046 1.00 11.24 H new ATOM 1450 N THR A 87 28.417 -6.599 5.147 1.00 13.34 N ATOM 1451 CA THR A 87 28.516 -5.191 5.495 1.00 32.43 C ATOM 1452 C THR A 87 29.800 -4.589 4.921 1.00 75.21 C ATOM 1453 O THR A 87 29.957 -3.370 4.889 1.00 41.34 O ATOM 1454 CB THR A 87 28.417 -5.073 7.017 1.00 0.35 C ATOM 1455 OG1 THR A 87 28.909 -3.765 7.296 1.00 10.33 O ATOM 1456 CG2 THR A 87 29.394 -6.001 7.742 1.00 44.41 C ATOM 0 H THR A 87 28.725 -7.242 5.877 1.00 13.34 H new ATOM 0 HA THR A 87 27.701 -4.616 5.056 1.00 32.43 H new ATOM 0 HB THR A 87 27.399 -5.300 7.333 1.00 0.35 H new ATOM 0 HG1 THR A 87 28.879 -3.603 8.262 1.00 10.33 H new ATOM 0 HG21 THR A 87 29.282 -5.877 8.819 1.00 44.41 H new ATOM 0 HG22 THR A 87 29.182 -7.035 7.472 1.00 44.41 H new ATOM 0 HG23 THR A 87 30.415 -5.752 7.452 1.00 44.41 H new ATOM 1464 N ALA A 88 30.684 -5.472 4.482 1.00 63.05 N ATOM 1465 CA ALA A 88 31.949 -5.043 3.910 1.00 44.21 C ATOM 1466 C ALA A 88 31.760 -4.757 2.419 1.00 73.42 C ATOM 1467 O ALA A 88 32.535 -4.011 1.822 1.00 33.44 O ATOM 1468 CB ALA A 88 33.015 -6.110 4.168 1.00 32.14 C ATOM 0 H ALA A 88 30.550 -6.483 4.511 1.00 63.05 H new ATOM 0 HA ALA A 88 32.289 -4.121 4.382 1.00 44.21 H new ATOM 0 HB1 ALA A 88 33.964 -5.788 3.739 1.00 32.14 H new ATOM 0 HB2 ALA A 88 33.133 -6.254 5.242 1.00 32.14 H new ATOM 0 HB3 ALA A 88 32.709 -7.049 3.707 1.00 32.14 H new ATOM 1474 N ALA A 89 30.724 -5.366 1.860 1.00 64.45 N ATOM 1475 CA ALA A 89 30.423 -5.187 0.449 1.00 30.14 C ATOM 1476 C ALA A 89 30.436 -3.694 0.115 1.00 21.13 C ATOM 1477 O ALA A 89 29.953 -2.875 0.896 1.00 75.43 O ATOM 1478 CB ALA A 89 29.080 -5.845 0.127 1.00 51.13 C ATOM 0 H ALA A 89 30.083 -5.983 2.358 1.00 64.45 H new ATOM 0 HA ALA A 89 31.179 -5.670 -0.170 1.00 30.14 H new ATOM 0 HB1 ALA A 89 28.854 -5.711 -0.931 1.00 51.13 H new ATOM 0 HB2 ALA A 89 29.132 -6.910 0.355 1.00 51.13 H new ATOM 0 HB3 ALA A 89 28.296 -5.384 0.727 1.00 51.13 H new ATOM 1484 N LEU A 90 30.995 -3.385 -1.045 1.00 50.05 N ATOM 1485 CA LEU A 90 31.078 -2.005 -1.492 1.00 55.24 C ATOM 1486 C LEU A 90 29.844 -1.671 -2.334 1.00 62.32 C ATOM 1487 O LEU A 90 29.483 -2.424 -3.237 1.00 54.04 O ATOM 1488 CB LEU A 90 32.402 -1.754 -2.216 1.00 61.30 C ATOM 1489 CG LEU A 90 33.066 -0.402 -1.950 1.00 5.12 C ATOM 1490 CD1 LEU A 90 33.238 -0.161 -0.449 1.00 31.32 C ATOM 1491 CD2 LEU A 90 34.392 -0.284 -2.704 1.00 64.53 C ATOM 0 H LEU A 90 31.395 -4.067 -1.690 1.00 50.05 H new ATOM 0 HA LEU A 90 31.075 -1.328 -0.638 1.00 55.24 H new ATOM 0 HB2 LEU A 90 33.102 -2.541 -1.935 1.00 61.30 H new ATOM 0 HB3 LEU A 90 32.230 -1.847 -3.288 1.00 61.30 H new ATOM 0 HG LEU A 90 32.409 0.381 -2.329 1.00 5.12 H new ATOM 0 HD11 LEU A 90 33.712 0.807 -0.288 1.00 31.32 H new ATOM 0 HD12 LEU A 90 32.262 -0.172 0.035 1.00 31.32 H new ATOM 0 HD13 LEU A 90 33.863 -0.946 -0.024 1.00 31.32 H new ATOM 0 HD21 LEU A 90 34.843 0.687 -2.497 1.00 64.53 H new ATOM 0 HD22 LEU A 90 35.068 -1.075 -2.378 1.00 64.53 H new ATOM 0 HD23 LEU A 90 34.211 -0.380 -3.775 1.00 64.53 H new ATOM 1503 N MET A 91 29.232 -0.542 -2.008 1.00 64.22 N ATOM 1504 CA MET A 91 28.047 -0.100 -2.723 1.00 43.20 C ATOM 1505 C MET A 91 28.349 0.111 -4.208 1.00 63.52 C ATOM 1506 O MET A 91 27.434 0.206 -5.024 1.00 13.30 O ATOM 1507 CB MET A 91 27.543 1.210 -2.114 1.00 51.01 C ATOM 1508 CG MET A 91 27.273 1.050 -0.616 1.00 43.34 C ATOM 1509 SD MET A 91 26.182 -0.335 -0.337 1.00 5.42 S ATOM 1510 CE MET A 91 24.657 0.338 -0.975 1.00 45.15 C ATOM 0 H MET A 91 29.535 0.080 -1.258 1.00 64.22 H new ATOM 0 HA MET A 91 27.282 -0.872 -2.633 1.00 43.20 H new ATOM 0 HB2 MET A 91 28.281 1.996 -2.272 1.00 51.01 H new ATOM 0 HB3 MET A 91 26.630 1.523 -2.620 1.00 51.01 H new ATOM 0 HG2 MET A 91 28.212 0.897 -0.083 1.00 43.34 H new ATOM 0 HG3 MET A 91 26.826 1.961 -0.219 1.00 43.34 H new ATOM 0 HE1 MET A 91 23.821 -0.278 -0.644 1.00 45.15 H new ATOM 0 HE2 MET A 91 24.526 1.356 -0.607 1.00 45.15 H new ATOM 0 HE3 MET A 91 24.691 0.348 -2.064 1.00 45.15 H new ATOM 1520 N SER A 92 29.637 0.176 -4.514 1.00 12.11 N ATOM 1521 CA SER A 92 30.071 0.373 -5.887 1.00 11.25 C ATOM 1522 C SER A 92 29.924 -0.930 -6.674 1.00 65.40 C ATOM 1523 O SER A 92 29.460 -0.923 -7.813 1.00 33.12 O ATOM 1524 CB SER A 92 31.518 0.867 -5.941 1.00 21.51 C ATOM 1525 OG SER A 92 32.427 -0.084 -5.393 1.00 22.30 O ATOM 0 H SER A 92 30.394 0.096 -3.835 1.00 12.11 H new ATOM 0 HA SER A 92 29.438 1.136 -6.340 1.00 11.25 H new ATOM 0 HB2 SER A 92 31.792 1.076 -6.975 1.00 21.51 H new ATOM 0 HB3 SER A 92 31.601 1.806 -5.393 1.00 21.51 H new ATOM 0 HG SER A 92 33.332 0.101 -5.722 1.00 22.30 H new ATOM 1531 N ALA A 93 30.330 -2.018 -6.036 1.00 31.41 N ATOM 1532 CA ALA A 93 30.250 -3.327 -6.662 1.00 73.04 C ATOM 1533 C ALA A 93 28.827 -3.870 -6.519 1.00 35.11 C ATOM 1534 O ALA A 93 28.203 -4.256 -7.506 1.00 51.45 O ATOM 1535 CB ALA A 93 31.294 -4.256 -6.040 1.00 32.11 C ATOM 0 H ALA A 93 30.715 -2.020 -5.092 1.00 31.41 H new ATOM 0 HA ALA A 93 30.470 -3.257 -7.727 1.00 73.04 H new ATOM 0 HB1 ALA A 93 31.234 -5.238 -6.510 1.00 32.11 H new ATOM 0 HB2 ALA A 93 32.290 -3.840 -6.195 1.00 32.11 H new ATOM 0 HB3 ALA A 93 31.104 -4.353 -4.971 1.00 32.11 H new ATOM 1541 N ILE A 94 28.354 -3.883 -5.281 1.00 64.10 N ATOM 1542 CA ILE A 94 27.016 -4.372 -4.995 1.00 64.55 C ATOM 1543 C ILE A 94 26.033 -3.772 -6.002 1.00 71.31 C ATOM 1544 O ILE A 94 25.356 -4.502 -6.725 1.00 21.11 O ATOM 1545 CB ILE A 94 26.646 -4.099 -3.536 1.00 62.52 C ATOM 1546 CG1 ILE A 94 27.573 -4.859 -2.584 1.00 54.22 C ATOM 1547 CG2 ILE A 94 25.172 -4.417 -3.276 1.00 41.41 C ATOM 1548 CD1 ILE A 94 27.212 -6.345 -2.538 1.00 24.00 C ATOM 0 H ILE A 94 28.874 -3.562 -4.464 1.00 64.10 H new ATOM 0 HA ILE A 94 26.973 -5.455 -5.113 1.00 64.55 H new ATOM 0 HB ILE A 94 26.786 -3.036 -3.341 1.00 62.52 H new ATOM 0 HG12 ILE A 94 28.607 -4.742 -2.907 1.00 54.22 H new ATOM 0 HG13 ILE A 94 27.502 -4.433 -1.583 1.00 54.22 H new ATOM 0 HG21 ILE A 94 24.935 -4.214 -2.232 1.00 41.41 H new ATOM 0 HG22 ILE A 94 24.547 -3.795 -3.917 1.00 41.41 H new ATOM 0 HG23 ILE A 94 24.983 -5.468 -3.494 1.00 41.41 H new ATOM 0 HD11 ILE A 94 27.886 -6.862 -1.855 1.00 24.00 H new ATOM 0 HD12 ILE A 94 26.185 -6.459 -2.191 1.00 24.00 H new ATOM 0 HD13 ILE A 94 27.308 -6.774 -3.536 1.00 24.00 H new ATOM 1560 N TYR A 95 25.985 -2.448 -6.017 1.00 61.30 N ATOM 1561 CA TYR A 95 25.096 -1.742 -6.923 1.00 54.31 C ATOM 1562 C TYR A 95 25.407 -2.091 -8.380 1.00 15.10 C ATOM 1563 O TYR A 95 24.510 -2.113 -9.222 1.00 31.23 O ATOM 1564 CB TYR A 95 25.363 -0.252 -6.700 1.00 10.10 C ATOM 1565 CG TYR A 95 24.457 0.672 -7.516 1.00 72.11 C ATOM 1566 CD1 TYR A 95 24.568 0.709 -8.891 1.00 41.23 C ATOM 1567 CD2 TYR A 95 23.528 1.468 -6.877 1.00 41.12 C ATOM 1568 CE1 TYR A 95 23.715 1.579 -9.659 1.00 62.34 C ATOM 1569 CE2 TYR A 95 22.675 2.338 -7.645 1.00 62.43 C ATOM 1570 CZ TYR A 95 22.811 2.350 -8.999 1.00 32.05 C ATOM 1571 OH TYR A 95 22.005 3.171 -9.724 1.00 3.20 O ATOM 0 H TYR A 95 26.548 -1.846 -5.416 1.00 61.30 H new ATOM 0 HA TYR A 95 24.058 -2.014 -6.731 1.00 54.31 H new ATOM 0 HB2 TYR A 95 25.237 -0.025 -5.641 1.00 10.10 H new ATOM 0 HB3 TYR A 95 26.402 -0.038 -6.950 1.00 10.10 H new ATOM 0 HD1 TYR A 95 25.294 0.086 -9.391 1.00 41.23 H new ATOM 0 HD2 TYR A 95 23.441 1.438 -5.801 1.00 41.12 H new ATOM 0 HE1 TYR A 95 23.792 1.618 -10.736 1.00 62.34 H new ATOM 0 HE2 TYR A 95 21.944 2.966 -7.158 1.00 62.43 H new ATOM 0 HH TYR A 95 21.795 2.748 -10.583 1.00 3.20 H new ATOM 1581 N GLN A 96 26.680 -2.355 -8.633 1.00 0.20 N ATOM 1582 CA GLN A 96 27.120 -2.702 -9.974 1.00 4.25 C ATOM 1583 C GLN A 96 26.604 -4.089 -10.359 1.00 72.34 C ATOM 1584 O GLN A 96 26.388 -4.370 -11.537 1.00 41.35 O ATOM 1585 CB GLN A 96 28.645 -2.634 -10.085 1.00 12.14 C ATOM 1586 CG GLN A 96 29.088 -1.333 -10.758 1.00 21.51 C ATOM 1587 CD GLN A 96 30.538 -0.998 -10.402 1.00 32.14 C ATOM 1588 OE1 GLN A 96 30.865 0.104 -9.993 1.00 34.15 O ATOM 1589 NE2 GLN A 96 31.386 -2.007 -10.579 1.00 72.21 N ATOM 0 H GLN A 96 27.421 -2.336 -7.932 1.00 0.20 H new ATOM 0 HA GLN A 96 26.705 -1.975 -10.672 1.00 4.25 H new ATOM 0 HB2 GLN A 96 29.089 -2.703 -9.092 1.00 12.14 H new ATOM 0 HB3 GLN A 96 29.010 -3.487 -10.658 1.00 12.14 H new ATOM 0 HG2 GLN A 96 28.987 -1.426 -11.839 1.00 21.51 H new ATOM 0 HG3 GLN A 96 28.435 -0.517 -10.446 1.00 21.51 H new ATOM 0 HE21 GLN A 96 31.046 -2.904 -10.925 1.00 72.21 H new ATOM 0 HE22 GLN A 96 32.376 -1.884 -10.369 1.00 72.21 H new ATOM 1598 N GLU A 97 26.420 -4.921 -9.344 1.00 44.24 N ATOM 1599 CA GLU A 97 25.933 -6.272 -9.563 1.00 22.34 C ATOM 1600 C GLU A 97 24.471 -6.387 -9.126 1.00 4.43 C ATOM 1601 O GLU A 97 23.867 -7.452 -9.240 1.00 2.12 O ATOM 1602 CB GLU A 97 26.806 -7.294 -8.831 1.00 75.42 C ATOM 1603 CG GLU A 97 28.204 -7.364 -9.449 1.00 12.44 C ATOM 1604 CD GLU A 97 28.972 -8.582 -8.932 1.00 13.35 C ATOM 1605 OE1 GLU A 97 29.384 -9.438 -9.728 1.00 23.23 O ATOM 1606 OE2 GLU A 97 29.136 -8.620 -7.653 1.00 31.24 O ATOM 0 H GLU A 97 26.600 -4.685 -8.368 1.00 44.24 H new ATOM 0 HA GLU A 97 25.991 -6.490 -10.629 1.00 22.34 H new ATOM 0 HB2 GLU A 97 26.883 -7.024 -7.778 1.00 75.42 H new ATOM 0 HB3 GLU A 97 26.336 -8.276 -8.874 1.00 75.42 H new ATOM 0 HG2 GLU A 97 28.123 -7.415 -10.535 1.00 12.44 H new ATOM 0 HG3 GLU A 97 28.756 -6.454 -9.212 1.00 12.44 H new ATOM 1614 N HIS A 98 23.945 -5.274 -8.635 1.00 21.35 N ATOM 1615 CA HIS A 98 22.566 -5.236 -8.180 1.00 35.31 C ATOM 1616 C HIS A 98 21.803 -4.153 -8.946 1.00 35.45 C ATOM 1617 O HIS A 98 20.612 -3.946 -8.714 1.00 63.24 O ATOM 1618 CB HIS A 98 22.498 -5.049 -6.663 1.00 4.10 C ATOM 1619 CG HIS A 98 22.873 -6.281 -5.875 1.00 22.22 C ATOM 1620 ND1 HIS A 98 24.022 -6.600 -5.211 1.00 20.12 N flip ATOM 1621 CD2 HIS A 98 22.015 -7.354 -5.708 1.00 54.24 C flip ATOM 1622 CE1 HIS A 98 23.872 -7.801 -4.667 1.00 42.25 C flip ATOM 1623 NE2 HIS A 98 22.629 -8.271 -4.974 1.00 65.23 N flip ATOM 0 H HIS A 98 24.449 -4.392 -8.543 1.00 21.35 H new ATOM 0 HA HIS A 98 22.084 -6.190 -8.391 1.00 35.31 H new ATOM 0 HB2 HIS A 98 23.161 -4.232 -6.378 1.00 4.10 H new ATOM 0 HB3 HIS A 98 21.487 -4.749 -6.389 1.00 4.10 H new ATOM 0 HD2 HIS A 98 21.015 -7.431 -6.108 1.00 54.24 H new ATOM 0 HE1 HIS A 98 24.613 -8.321 -4.078 1.00 42.25 H new ATOM 0 HE2 HIS A 98 22.240 -9.170 -4.689 1.00 65.23 H new ATOM 1631 N LYS A 99 22.519 -3.491 -9.842 1.00 23.23 N ATOM 1632 CA LYS A 99 21.925 -2.435 -10.643 1.00 11.32 C ATOM 1633 C LYS A 99 20.929 -3.048 -11.630 1.00 2.34 C ATOM 1634 O LYS A 99 21.226 -4.054 -12.272 1.00 32.13 O ATOM 1635 CB LYS A 99 23.013 -1.592 -11.311 1.00 22.01 C ATOM 1636 CG LYS A 99 22.481 -0.909 -12.572 1.00 71.14 C ATOM 1637 CD LYS A 99 22.736 -1.770 -13.811 1.00 74.31 C ATOM 1638 CE LYS A 99 24.127 -1.504 -14.388 1.00 4.54 C ATOM 1639 NZ LYS A 99 24.135 -1.732 -15.850 1.00 23.21 N ATOM 0 H LYS A 99 23.506 -3.666 -10.031 1.00 23.23 H new ATOM 0 HA LYS A 99 21.365 -1.747 -10.010 1.00 11.32 H new ATOM 0 HB2 LYS A 99 23.376 -0.839 -10.611 1.00 22.01 H new ATOM 0 HB3 LYS A 99 23.863 -2.225 -11.567 1.00 22.01 H new ATOM 0 HG2 LYS A 99 21.412 -0.725 -12.467 1.00 71.14 H new ATOM 0 HG3 LYS A 99 22.961 0.062 -12.694 1.00 71.14 H new ATOM 0 HD2 LYS A 99 22.642 -2.824 -13.551 1.00 74.31 H new ATOM 0 HD3 LYS A 99 21.979 -1.559 -14.566 1.00 74.31 H new ATOM 0 HE2 LYS A 99 24.426 -0.478 -14.173 1.00 4.54 H new ATOM 0 HE3 LYS A 99 24.857 -2.156 -13.908 1.00 4.54 H new ATOM 0 HZ1 LYS A 99 25.087 -1.547 -16.225 1.00 23.21 H new ATOM 0 HZ2 LYS A 99 23.870 -2.718 -16.049 1.00 23.21 H new ATOM 0 HZ3 LYS A 99 23.453 -1.092 -16.305 1.00 23.21 H new ATOM 1652 N ASP A 100 19.769 -2.415 -11.720 1.00 35.24 N ATOM 1653 CA ASP A 100 18.727 -2.886 -12.617 1.00 44.23 C ATOM 1654 C ASP A 100 18.700 -2.003 -13.867 1.00 12.14 C ATOM 1655 O ASP A 100 19.477 -1.056 -13.979 1.00 70.23 O ATOM 1656 CB ASP A 100 17.351 -2.808 -11.953 1.00 62.43 C ATOM 1657 CG ASP A 100 16.883 -4.102 -11.283 1.00 52.34 C ATOM 1658 OD1 ASP A 100 15.978 -4.090 -10.436 1.00 32.52 O ATOM 1659 OD2 ASP A 100 17.496 -5.169 -11.670 1.00 3.24 O ATOM 0 H ASP A 100 19.527 -1.580 -11.187 1.00 35.24 H new ATOM 0 HA ASP A 100 18.945 -3.923 -12.873 1.00 44.23 H new ATOM 0 HB2 ASP A 100 17.369 -2.015 -11.205 1.00 62.43 H new ATOM 0 HB3 ASP A 100 16.617 -2.520 -12.705 1.00 62.43 H new ATOM 1665 N LYS A 101 17.796 -2.344 -14.774 1.00 25.43 N ATOM 1666 CA LYS A 101 17.657 -1.595 -16.011 1.00 4.45 C ATOM 1667 C LYS A 101 17.127 -0.194 -15.696 1.00 72.42 C ATOM 1668 O LYS A 101 17.184 0.699 -16.540 1.00 23.12 O ATOM 1669 CB LYS A 101 16.797 -2.368 -17.012 1.00 1.10 C ATOM 1670 CG LYS A 101 17.103 -3.866 -16.956 1.00 1.02 C ATOM 1671 CD LYS A 101 16.814 -4.535 -18.301 1.00 31.42 C ATOM 1672 CE LYS A 101 15.320 -4.486 -18.628 1.00 21.02 C ATOM 1673 NZ LYS A 101 15.058 -5.100 -19.949 1.00 21.13 N ATOM 0 H LYS A 101 17.152 -3.129 -14.677 1.00 25.43 H new ATOM 0 HA LYS A 101 18.627 -1.469 -16.492 1.00 4.45 H new ATOM 0 HB2 LYS A 101 15.742 -2.200 -16.796 1.00 1.10 H new ATOM 0 HB3 LYS A 101 16.980 -1.993 -18.019 1.00 1.10 H new ATOM 0 HG2 LYS A 101 18.149 -4.017 -16.688 1.00 1.02 H new ATOM 0 HG3 LYS A 101 16.503 -4.335 -16.176 1.00 1.02 H new ATOM 0 HD2 LYS A 101 17.379 -4.036 -19.088 1.00 31.42 H new ATOM 0 HD3 LYS A 101 17.151 -5.571 -18.275 1.00 31.42 H new ATOM 0 HE2 LYS A 101 14.756 -5.012 -17.858 1.00 21.02 H new ATOM 0 HE3 LYS A 101 14.975 -3.452 -18.626 1.00 21.02 H new ATOM 0 HZ1 LYS A 101 14.040 -5.058 -20.155 1.00 21.13 H new ATOM 0 HZ2 LYS A 101 15.581 -4.581 -20.683 1.00 21.13 H new ATOM 0 HZ3 LYS A 101 15.369 -6.092 -19.938 1.00 21.13 H new ATOM 1686 N ASP A 102 16.622 -0.047 -14.480 1.00 41.11 N ATOM 1687 CA ASP A 102 16.082 1.229 -14.044 1.00 14.41 C ATOM 1688 C ASP A 102 17.211 2.086 -13.468 1.00 53.51 C ATOM 1689 O ASP A 102 16.960 3.141 -12.887 1.00 52.22 O ATOM 1690 CB ASP A 102 15.029 1.037 -12.950 1.00 63.02 C ATOM 1691 CG ASP A 102 15.557 0.444 -11.642 1.00 70.33 C ATOM 1692 OD1 ASP A 102 15.064 -0.589 -11.165 1.00 13.25 O ATOM 1693 OD2 ASP A 102 16.530 1.096 -11.101 1.00 71.44 O ATOM 0 H ASP A 102 16.576 -0.790 -13.783 1.00 41.11 H new ATOM 0 HA ASP A 102 15.623 1.713 -14.906 1.00 14.41 H new ATOM 0 HB2 ASP A 102 14.570 2.002 -12.735 1.00 63.02 H new ATOM 0 HB3 ASP A 102 14.242 0.388 -13.334 1.00 63.02 H new ATOM 1699 N GLY A 103 18.430 1.601 -13.649 1.00 42.34 N ATOM 1700 CA GLY A 103 19.599 2.310 -13.155 1.00 74.32 C ATOM 1701 C GLY A 103 19.675 2.243 -11.629 1.00 23.25 C ATOM 1702 O GLY A 103 20.570 1.605 -11.076 1.00 30.12 O ATOM 0 H GLY A 103 18.634 0.726 -14.131 1.00 42.34 H new ATOM 0 HA2 GLY A 103 20.501 1.877 -13.587 1.00 74.32 H new ATOM 0 HA3 GLY A 103 19.560 3.351 -13.476 1.00 74.32 H new ATOM 1706 N PHE A 104 18.725 2.910 -10.990 1.00 42.24 N ATOM 1707 CA PHE A 104 18.674 2.935 -9.538 1.00 71.45 C ATOM 1708 C PHE A 104 18.849 1.529 -8.960 1.00 34.01 C ATOM 1709 O PHE A 104 18.881 0.548 -9.702 1.00 2.24 O ATOM 1710 CB PHE A 104 17.293 3.466 -9.149 1.00 20.44 C ATOM 1711 CG PHE A 104 17.302 4.908 -8.638 1.00 64.10 C ATOM 1712 CD1 PHE A 104 17.782 5.187 -7.396 1.00 70.43 C ATOM 1713 CD2 PHE A 104 16.831 5.911 -9.426 1.00 42.30 C ATOM 1714 CE1 PHE A 104 17.791 6.525 -6.922 1.00 52.24 C ATOM 1715 CE2 PHE A 104 16.840 7.250 -8.952 1.00 71.22 C ATOM 1716 CZ PHE A 104 17.320 7.529 -7.710 1.00 75.44 C ATOM 0 H PHE A 104 17.984 3.438 -11.452 1.00 42.24 H new ATOM 0 HA PHE A 104 19.476 3.562 -9.147 1.00 71.45 H new ATOM 0 HB2 PHE A 104 16.634 3.402 -10.015 1.00 20.44 H new ATOM 0 HB3 PHE A 104 16.871 2.821 -8.378 1.00 20.44 H new ATOM 0 HD1 PHE A 104 18.156 4.390 -6.770 1.00 70.43 H new ATOM 0 HD2 PHE A 104 16.450 5.690 -10.412 1.00 42.30 H new ATOM 0 HE1 PHE A 104 18.172 6.746 -5.936 1.00 52.24 H new ATOM 0 HE2 PHE A 104 16.466 8.047 -9.578 1.00 71.22 H new ATOM 0 HZ PHE A 104 17.327 8.547 -7.350 1.00 75.44 H new ATOM 1726 N LEU A 105 18.957 1.476 -7.641 1.00 35.05 N ATOM 1727 CA LEU A 105 19.127 0.207 -6.954 1.00 21.20 C ATOM 1728 C LEU A 105 17.885 -0.082 -6.109 1.00 31.01 C ATOM 1729 O LEU A 105 17.073 0.810 -5.867 1.00 61.11 O ATOM 1730 CB LEU A 105 20.431 0.202 -6.153 1.00 33.12 C ATOM 1731 CG LEU A 105 21.115 -1.157 -5.994 1.00 65.13 C ATOM 1732 CD1 LEU A 105 21.657 -1.658 -7.335 1.00 2.34 C ATOM 1733 CD2 LEU A 105 22.204 -1.100 -4.921 1.00 64.40 C ATOM 0 H LEU A 105 18.930 2.292 -7.029 1.00 35.05 H new ATOM 0 HA LEU A 105 19.219 -0.606 -7.674 1.00 21.20 H new ATOM 0 HB2 LEU A 105 21.132 0.885 -6.633 1.00 33.12 H new ATOM 0 HB3 LEU A 105 20.226 0.602 -5.160 1.00 33.12 H new ATOM 0 HG LEU A 105 20.370 -1.878 -5.658 1.00 65.13 H new ATOM 0 HD11 LEU A 105 22.138 -2.626 -7.194 1.00 2.34 H new ATOM 0 HD12 LEU A 105 20.835 -1.761 -8.044 1.00 2.34 H new ATOM 0 HD13 LEU A 105 22.384 -0.944 -7.723 1.00 2.34 H new ATOM 0 HD21 LEU A 105 22.675 -2.079 -4.828 1.00 64.40 H new ATOM 0 HD22 LEU A 105 22.955 -0.362 -5.203 1.00 64.40 H new ATOM 0 HD23 LEU A 105 21.760 -0.819 -3.966 1.00 64.40 H new ATOM 1745 N TYR A 106 17.776 -1.332 -5.683 1.00 14.22 N ATOM 1746 CA TYR A 106 16.646 -1.749 -4.870 1.00 30.31 C ATOM 1747 C TYR A 106 17.111 -2.566 -3.663 1.00 23.51 C ATOM 1748 O TYR A 106 17.717 -3.625 -3.822 1.00 23.02 O ATOM 1749 CB TYR A 106 15.784 -2.637 -5.770 1.00 11.12 C ATOM 1750 CG TYR A 106 16.585 -3.474 -6.769 1.00 32.53 C ATOM 1751 CD1 TYR A 106 17.282 -2.855 -7.786 1.00 74.24 C ATOM 1752 CD2 TYR A 106 16.611 -4.850 -6.652 1.00 55.51 C ATOM 1753 CE1 TYR A 106 18.035 -3.644 -8.726 1.00 43.45 C ATOM 1754 CE2 TYR A 106 17.364 -5.638 -7.592 1.00 43.12 C ATOM 1755 CZ TYR A 106 18.039 -4.996 -8.583 1.00 45.01 C ATOM 1756 OH TYR A 106 18.751 -5.741 -9.471 1.00 4.40 O ATOM 0 H TYR A 106 18.451 -2.069 -5.885 1.00 14.22 H new ATOM 0 HA TYR A 106 16.103 -0.882 -4.494 1.00 30.31 H new ATOM 0 HB2 TYR A 106 15.192 -3.305 -5.144 1.00 11.12 H new ATOM 0 HB3 TYR A 106 15.082 -2.009 -6.318 1.00 11.12 H new ATOM 0 HD1 TYR A 106 17.263 -1.779 -7.877 1.00 74.24 H new ATOM 0 HD2 TYR A 106 16.066 -5.335 -5.855 1.00 55.51 H new ATOM 0 HE1 TYR A 106 18.585 -3.172 -9.527 1.00 43.45 H new ATOM 0 HE2 TYR A 106 17.392 -6.715 -7.512 1.00 43.12 H new ATOM 0 HH TYR A 106 18.195 -5.937 -10.254 1.00 4.40 H new ATOM 1766 N VAL A 107 16.810 -2.044 -2.483 1.00 41.02 N ATOM 1767 CA VAL A 107 17.190 -2.712 -1.250 1.00 11.21 C ATOM 1768 C VAL A 107 16.013 -2.678 -0.273 1.00 75.44 C ATOM 1769 O VAL A 107 15.071 -1.908 -0.457 1.00 21.42 O ATOM 1770 CB VAL A 107 18.458 -2.075 -0.679 1.00 4.41 C ATOM 1771 CG1 VAL A 107 18.516 -0.581 -1.005 1.00 10.11 C ATOM 1772 CG2 VAL A 107 18.560 -2.311 0.829 1.00 33.22 C ATOM 0 H VAL A 107 16.307 -1.166 -2.355 1.00 41.02 H new ATOM 0 HA VAL A 107 17.425 -3.759 -1.440 1.00 11.21 H new ATOM 0 HB VAL A 107 19.315 -2.555 -1.152 1.00 4.41 H new ATOM 0 HG11 VAL A 107 19.427 -0.153 -0.588 1.00 10.11 H new ATOM 0 HG12 VAL A 107 18.513 -0.444 -2.086 1.00 10.11 H new ATOM 0 HG13 VAL A 107 17.649 -0.081 -0.574 1.00 10.11 H new ATOM 0 HG21 VAL A 107 19.471 -1.848 1.209 1.00 33.22 H new ATOM 0 HG22 VAL A 107 17.695 -1.872 1.325 1.00 33.22 H new ATOM 0 HG23 VAL A 107 18.587 -3.382 1.029 1.00 33.22 H new ATOM 1782 N THR A 108 16.104 -3.523 0.743 1.00 21.21 N ATOM 1783 CA THR A 108 15.058 -3.600 1.749 1.00 61.12 C ATOM 1784 C THR A 108 15.637 -4.070 3.085 1.00 14.40 C ATOM 1785 O THR A 108 16.298 -5.105 3.150 1.00 52.21 O ATOM 1786 CB THR A 108 13.952 -4.511 1.212 1.00 40.31 C ATOM 1787 OG1 THR A 108 13.488 -3.841 0.043 1.00 13.10 O ATOM 1788 CG2 THR A 108 12.729 -4.550 2.130 1.00 55.32 C ATOM 0 H THR A 108 16.886 -4.161 0.891 1.00 21.21 H new ATOM 0 HA THR A 108 14.625 -2.619 1.945 1.00 61.12 H new ATOM 0 HB THR A 108 14.343 -5.521 1.085 1.00 40.31 H new ATOM 0 HG1 THR A 108 13.814 -2.917 0.044 1.00 13.10 H new ATOM 0 HG21 THR A 108 11.974 -5.210 1.703 1.00 55.32 H new ATOM 0 HG22 THR A 108 13.023 -4.922 3.112 1.00 55.32 H new ATOM 0 HG23 THR A 108 12.317 -3.546 2.230 1.00 55.32 H new ATOM 1796 N TYR A 109 15.367 -3.286 4.118 1.00 14.34 N ATOM 1797 CA TYR A 109 15.852 -3.608 5.449 1.00 21.24 C ATOM 1798 C TYR A 109 14.692 -3.939 6.391 1.00 42.01 C ATOM 1799 O TYR A 109 13.579 -3.449 6.207 1.00 42.34 O ATOM 1800 CB TYR A 109 16.561 -2.351 5.956 1.00 45.33 C ATOM 1801 CG TYR A 109 15.688 -1.095 5.941 1.00 12.11 C ATOM 1802 CD1 TYR A 109 14.600 -1.001 6.786 1.00 42.05 C ATOM 1803 CD2 TYR A 109 15.987 -0.056 5.083 1.00 2.24 C ATOM 1804 CE1 TYR A 109 13.778 0.181 6.772 1.00 51.12 C ATOM 1805 CE2 TYR A 109 15.165 1.126 5.070 1.00 51.23 C ATOM 1806 CZ TYR A 109 14.101 1.186 5.914 1.00 12.35 C ATOM 1807 OH TYR A 109 13.324 2.303 5.902 1.00 62.35 O ATOM 0 H TYR A 109 14.818 -2.428 4.060 1.00 14.34 H new ATOM 0 HA TYR A 109 16.511 -4.476 5.417 1.00 21.24 H new ATOM 0 HB2 TYR A 109 16.908 -2.528 6.974 1.00 45.33 H new ATOM 0 HB3 TYR A 109 17.445 -2.174 5.344 1.00 45.33 H new ATOM 0 HD1 TYR A 109 14.366 -1.814 7.457 1.00 42.05 H new ATOM 0 HD2 TYR A 109 16.837 -0.130 4.421 1.00 2.24 H new ATOM 0 HE1 TYR A 109 12.924 0.268 7.428 1.00 51.12 H new ATOM 0 HE2 TYR A 109 15.389 1.947 4.405 1.00 51.23 H new ATOM 0 HH TYR A 109 12.941 2.445 6.793 1.00 62.35 H new ATOM 1817 N SER A 110 14.993 -4.768 7.379 1.00 35.44 N ATOM 1818 CA SER A 110 13.989 -5.170 8.350 1.00 33.41 C ATOM 1819 C SER A 110 14.630 -5.330 9.730 1.00 32.21 C ATOM 1820 O SER A 110 15.797 -5.703 9.837 1.00 61.10 O ATOM 1821 CB SER A 110 13.305 -6.473 7.928 1.00 3.44 C ATOM 1822 OG SER A 110 14.175 -7.595 8.049 1.00 34.34 O ATOM 0 H SER A 110 15.917 -5.172 7.528 1.00 35.44 H new ATOM 0 HA SER A 110 13.228 -4.391 8.398 1.00 33.41 H new ATOM 0 HB2 SER A 110 12.419 -6.633 8.542 1.00 3.44 H new ATOM 0 HB3 SER A 110 12.966 -6.387 6.896 1.00 3.44 H new ATOM 0 HG SER A 110 14.955 -7.468 7.469 1.00 34.34 H new ATOM 1828 N GLY A 111 13.838 -5.040 10.752 1.00 22.11 N ATOM 1829 CA GLY A 111 14.314 -5.147 12.121 1.00 13.20 C ATOM 1830 C GLY A 111 14.839 -6.554 12.411 1.00 64.24 C ATOM 1831 O GLY A 111 15.560 -6.763 13.386 1.00 75.33 O ATOM 0 H GLY A 111 12.870 -4.731 10.660 1.00 22.11 H new ATOM 0 HA2 GLY A 111 15.105 -4.417 12.293 1.00 13.20 H new ATOM 0 HA3 GLY A 111 13.505 -4.908 12.811 1.00 13.20 H new ATOM 1835 N GLU A 112 14.459 -7.483 11.546 1.00 61.02 N ATOM 1836 CA GLU A 112 14.883 -8.865 11.696 1.00 2.45 C ATOM 1837 C GLU A 112 15.972 -9.200 10.675 1.00 75.32 C ATOM 1838 O GLU A 112 16.182 -8.455 9.719 1.00 10.13 O ATOM 1839 CB GLU A 112 13.695 -9.820 11.566 1.00 24.11 C ATOM 1840 CG GLU A 112 14.075 -11.232 12.018 1.00 40.31 C ATOM 1841 CD GLU A 112 14.819 -11.198 13.354 1.00 22.13 C ATOM 1842 OE1 GLU A 112 15.777 -11.961 13.550 1.00 31.10 O ATOM 1843 OE2 GLU A 112 14.371 -10.340 14.207 1.00 52.34 O ATOM 0 H GLU A 112 13.862 -7.306 10.738 1.00 61.02 H new ATOM 0 HA GLU A 112 15.299 -8.991 12.695 1.00 2.45 H new ATOM 0 HB2 GLU A 112 12.862 -9.454 12.166 1.00 24.11 H new ATOM 0 HB3 GLU A 112 13.355 -9.845 10.531 1.00 24.11 H new ATOM 0 HG2 GLU A 112 13.176 -11.841 12.114 1.00 40.31 H new ATOM 0 HG3 GLU A 112 14.701 -11.704 11.261 1.00 40.31 H new ATOM 1851 N ASN A 113 16.634 -10.323 10.911 1.00 5.32 N ATOM 1852 CA ASN A 113 17.696 -10.766 10.023 1.00 31.25 C ATOM 1853 C ASN A 113 17.111 -11.704 8.966 1.00 64.44 C ATOM 1854 O ASN A 113 17.828 -12.526 8.395 1.00 12.42 O ATOM 1855 CB ASN A 113 18.773 -11.534 10.793 1.00 52.41 C ATOM 1856 CG ASN A 113 19.958 -11.872 9.887 1.00 43.33 C ATOM 1857 OD1 ASN A 113 20.025 -12.926 9.275 1.00 10.55 O ATOM 1858 ND2 ASN A 113 20.887 -10.922 9.834 1.00 4.35 N ATOM 0 H ASN A 113 16.456 -10.939 11.704 1.00 5.32 H new ATOM 0 HA ASN A 113 18.142 -9.884 9.563 1.00 31.25 H new ATOM 0 HB2 ASN A 113 19.116 -10.938 11.639 1.00 52.41 H new ATOM 0 HB3 ASN A 113 18.349 -12.452 11.201 1.00 52.41 H new ATOM 0 HD21 ASN A 113 21.717 -11.052 9.256 1.00 4.35 H new ATOM 0 HD22 ASN A 113 20.769 -10.063 10.371 1.00 4.35 H new ATOM 1865 N THR A 114 15.816 -11.551 8.736 1.00 73.03 N ATOM 1866 CA THR A 114 15.127 -12.374 7.756 1.00 33.35 C ATOM 1867 C THR A 114 14.943 -11.604 6.447 1.00 32.33 C ATOM 1868 O THR A 114 14.948 -10.374 6.440 1.00 24.33 O ATOM 1869 CB THR A 114 13.809 -12.843 8.376 1.00 13.12 C ATOM 1870 OG1 THR A 114 13.346 -11.710 9.107 1.00 64.14 O ATOM 1871 CG2 THR A 114 14.014 -13.918 9.446 1.00 40.51 C ATOM 0 H THR A 114 15.225 -10.869 9.211 1.00 73.03 H new ATOM 0 HA THR A 114 15.713 -13.256 7.497 1.00 33.35 H new ATOM 0 HB THR A 114 13.158 -13.230 7.592 1.00 13.12 H new ATOM 0 HG1 THR A 114 12.494 -11.926 9.540 1.00 64.14 H new ATOM 0 HG21 THR A 114 13.048 -14.215 9.853 1.00 40.51 H new ATOM 0 HG22 THR A 114 14.503 -14.785 9.002 1.00 40.51 H new ATOM 0 HG23 THR A 114 14.638 -13.520 10.246 1.00 40.51 H new