USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 952 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 113 ASN : amide:sc= 1.16 K(o=1.4,f=0.19) USER MOD Set 1.2: A 123 GLN : amide:sc= 0.189 K(o=1.4,f=0.62) USER MOD Set 2.1: A 89 HIS : no HD1:sc= -0.0934 K(o=0.79,f=-4.9) USER MOD Set 2.2: A 110 THR OG1 : rot -86:sc= 0.878 USER MOD Set 3.1: A 65 GLN : amide:sc= 0.11 K(o=1.1,f=0.47) USER MOD Set 3.2: A 68 THR OG1 : rot 180:sc= 0.985 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 145:sc= 0.614 (180deg=0.0959) USER MOD Single : A 26 MET CE :methyl -159:sc= -1.11 (180deg=-2.29!) USER MOD Single : A 28 SER OG : rot 66:sc= 0.564 USER MOD Single : A 29 SER OG : rot -29:sc= 1.19 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.317 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0569 K(o=-0.057,f=-1.6) USER MOD Single : A 46 SER OG : rot 68:sc= 1.22 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.5! C(o=-1.5!,f=-4.7!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0194 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS :FLIP no HD1:sc= -1.52 F(o=-3.3!,f=-1.5) USER MOD Single : A 76 SER OG : rot 175:sc= 1.03 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -137:sc= 0.955 USER MOD Single : A 95 ASN : amide:sc= -0.457 K(o=-0.46,f=-1.8) USER MOD Single : A 106 SER OG : rot -22:sc= 0.493 USER MOD Single : A 108 ASN : amide:sc= -2.06! C(o=-2.1!,f=-3.8!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 120 GLN : amide:sc= -0.649 K(o=-0.65,f=-5.1!) USER MOD Single : A 122 MET CE :methyl -171:sc= -0.645 (180deg=-0.979) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -0.817 K(o=-0.82,f=-1.6) USER MOD Single : A 132 LYS NZ :NH3+ 135:sc= 0.465 (180deg=-2.54!) USER MOD ----------------------------------------------------------------- ATOM 214 N SER A 16 5.881 19.877 6.380 1.00 63.35 N ATOM 215 CA SER A 16 4.882 20.731 6.935 1.00 64.20 C ATOM 216 C SER A 16 3.846 19.825 7.604 1.00 5.52 C ATOM 217 O SER A 16 3.472 18.788 7.036 1.00 12.44 O ATOM 218 CB SER A 16 4.234 21.543 5.794 1.00 14.22 C ATOM 219 OG SER A 16 3.211 22.411 6.257 1.00 64.34 O ATOM 0 HA SER A 16 5.299 21.429 7.661 1.00 64.20 H new ATOM 0 HB2 SER A 16 5.002 22.129 5.288 1.00 14.22 H new ATOM 0 HB3 SER A 16 3.818 20.858 5.056 1.00 14.22 H new ATOM 0 HG SER A 16 2.833 22.904 5.499 1.00 64.34 H new ATOM 225 N VAL A 17 3.419 20.174 8.795 1.00 73.03 N ATOM 226 CA VAL A 17 2.425 19.389 9.497 1.00 24.44 C ATOM 227 C VAL A 17 1.073 19.805 8.982 1.00 45.44 C ATOM 228 O VAL A 17 0.731 20.994 8.987 1.00 25.03 O ATOM 229 CB VAL A 17 2.500 19.585 11.038 1.00 22.23 C ATOM 230 CG1 VAL A 17 1.428 18.765 11.754 1.00 31.14 C ATOM 231 CG2 VAL A 17 3.873 19.198 11.549 1.00 55.44 C ATOM 0 H VAL A 17 3.744 20.998 9.301 1.00 73.03 H new ATOM 0 HA VAL A 17 2.608 18.330 9.313 1.00 24.44 H new ATOM 0 HB VAL A 17 2.321 20.639 11.250 1.00 22.23 H new ATOM 0 HG11 VAL A 17 1.507 18.923 12.830 1.00 31.14 H new ATOM 0 HG12 VAL A 17 0.442 19.078 11.412 1.00 31.14 H new ATOM 0 HG13 VAL A 17 1.570 17.707 11.532 1.00 31.14 H new ATOM 0 HG21 VAL A 17 3.913 19.340 12.629 1.00 55.44 H new ATOM 0 HG22 VAL A 17 4.067 18.152 11.313 1.00 55.44 H new ATOM 0 HG23 VAL A 17 4.628 19.824 11.073 1.00 55.44 H new ATOM 241 N PHE A 18 0.309 18.850 8.545 1.00 51.44 N ATOM 242 CA PHE A 18 -0.919 19.137 7.879 1.00 70.15 C ATOM 243 C PHE A 18 -2.051 19.434 8.807 1.00 1.41 C ATOM 244 O PHE A 18 -2.273 18.758 9.817 1.00 51.45 O ATOM 245 CB PHE A 18 -1.326 18.013 6.937 1.00 2.31 C ATOM 246 CG PHE A 18 -0.430 17.848 5.752 1.00 51.33 C ATOM 247 CD1 PHE A 18 0.697 17.056 5.816 1.00 72.31 C ATOM 248 CD2 PHE A 18 -0.723 18.493 4.569 1.00 31.12 C ATOM 249 CE1 PHE A 18 1.512 16.910 4.725 1.00 32.03 C ATOM 250 CE2 PHE A 18 0.089 18.352 3.471 1.00 50.34 C ATOM 251 CZ PHE A 18 1.208 17.558 3.549 1.00 71.41 C ATOM 0 H PHE A 18 0.520 17.857 8.641 1.00 51.44 H new ATOM 0 HA PHE A 18 -0.718 20.042 7.306 1.00 70.15 H new ATOM 0 HB2 PHE A 18 -1.347 17.077 7.495 1.00 2.31 H new ATOM 0 HB3 PHE A 18 -2.342 18.198 6.587 1.00 2.31 H new ATOM 0 HD1 PHE A 18 0.940 16.545 6.736 1.00 72.31 H new ATOM 0 HD2 PHE A 18 -1.602 19.117 4.505 1.00 31.12 H new ATOM 0 HE1 PHE A 18 2.392 16.287 4.787 1.00 32.03 H new ATOM 0 HE2 PHE A 18 -0.151 18.863 2.550 1.00 50.34 H new ATOM 0 HZ PHE A 18 1.849 17.442 2.688 1.00 71.41 H new ATOM 261 N ARG A 19 -2.715 20.484 8.475 1.00 13.32 N ATOM 262 CA ARG A 19 -3.959 20.841 9.042 1.00 51.23 C ATOM 263 C ARG A 19 -4.858 20.813 7.834 1.00 30.35 C ATOM 264 O ARG A 19 -4.948 21.789 7.091 1.00 63.44 O ATOM 265 CB ARG A 19 -3.896 22.256 9.652 1.00 2.30 C ATOM 266 CG ARG A 19 -2.807 22.434 10.715 1.00 51.20 C ATOM 267 CD ARG A 19 -2.729 23.874 11.219 1.00 60.21 C ATOM 268 NE ARG A 19 -3.958 24.312 11.901 1.00 23.31 N ATOM 269 CZ ARG A 19 -4.273 25.589 12.191 1.00 31.10 C ATOM 270 NH1 ARG A 19 -3.463 26.580 11.834 1.00 44.14 N ATOM 271 NH2 ARG A 19 -5.397 25.864 12.847 1.00 32.13 N ATOM 0 H ARG A 19 -2.388 21.144 7.769 1.00 13.32 H new ATOM 0 HA ARG A 19 -4.285 20.191 9.854 1.00 51.23 H new ATOM 0 HB2 ARG A 19 -3.728 22.977 8.852 1.00 2.30 H new ATOM 0 HB3 ARG A 19 -4.863 22.491 10.096 1.00 2.30 H new ATOM 0 HG2 ARG A 19 -3.006 21.767 11.554 1.00 51.20 H new ATOM 0 HG3 ARG A 19 -1.843 22.143 10.298 1.00 51.20 H new ATOM 0 HD2 ARG A 19 -1.887 23.968 11.904 1.00 60.21 H new ATOM 0 HD3 ARG A 19 -2.531 24.538 10.377 1.00 60.21 H new ATOM 0 HE ARG A 19 -4.624 23.590 12.176 1.00 23.31 H new ATOM 0 HH11 ARG A 19 -2.596 26.376 11.337 1.00 44.14 H new ATOM 0 HH12 ARG A 19 -3.708 27.545 12.057 1.00 44.14 H new ATOM 0 HH21 ARG A 19 -6.020 25.108 13.130 1.00 32.13 H new ATOM 0 HH22 ARG A 19 -5.636 26.831 13.067 1.00 32.13 H new ATOM 285 N ALA A 20 -5.439 19.678 7.584 1.00 11.22 N ATOM 286 CA ALA A 20 -6.096 19.441 6.328 1.00 24.23 C ATOM 287 C ALA A 20 -7.590 19.291 6.461 1.00 33.25 C ATOM 288 O ALA A 20 -8.109 18.975 7.535 1.00 40.25 O ATOM 289 CB ALA A 20 -5.488 18.213 5.681 1.00 71.10 C ATOM 0 H ALA A 20 -5.473 18.895 8.237 1.00 11.22 H new ATOM 0 HA ALA A 20 -5.940 20.317 5.699 1.00 24.23 H new ATOM 0 HB1 ALA A 20 -5.979 18.024 4.727 1.00 71.10 H new ATOM 0 HB2 ALA A 20 -4.424 18.379 5.515 1.00 71.10 H new ATOM 0 HB3 ALA A 20 -5.623 17.352 6.336 1.00 71.10 H new ATOM 295 N ASP A 21 -8.270 19.482 5.355 1.00 62.54 N ATOM 296 CA ASP A 21 -9.721 19.410 5.293 1.00 51.33 C ATOM 297 C ASP A 21 -10.147 18.017 4.832 1.00 25.33 C ATOM 298 O ASP A 21 -11.306 17.655 4.910 1.00 11.13 O ATOM 299 CB ASP A 21 -10.248 20.491 4.325 1.00 30.32 C ATOM 300 CG ASP A 21 -11.764 20.536 4.194 1.00 74.30 C ATOM 301 OD1 ASP A 21 -12.434 21.164 5.048 1.00 42.01 O ATOM 302 OD2 ASP A 21 -12.305 20.000 3.206 1.00 74.21 O ATOM 0 H ASP A 21 -7.831 19.695 4.459 1.00 62.54 H new ATOM 0 HA ASP A 21 -10.142 19.591 6.282 1.00 51.33 H new ATOM 0 HB2 ASP A 21 -9.896 21.466 4.663 1.00 30.32 H new ATOM 0 HB3 ASP A 21 -9.816 20.320 3.339 1.00 30.32 H new ATOM 307 N LEU A 22 -9.159 17.212 4.441 1.00 21.22 N ATOM 308 CA LEU A 22 -9.369 15.856 3.892 1.00 2.54 C ATOM 309 C LEU A 22 -10.144 14.914 4.829 1.00 61.21 C ATOM 310 O LEU A 22 -10.667 13.895 4.394 1.00 63.22 O ATOM 311 CB LEU A 22 -8.024 15.239 3.424 1.00 2.14 C ATOM 312 CG LEU A 22 -6.895 15.085 4.475 1.00 75.30 C ATOM 313 CD1 LEU A 22 -7.101 13.877 5.395 1.00 54.32 C ATOM 314 CD2 LEU A 22 -5.541 15.023 3.799 1.00 52.15 C ATOM 0 H LEU A 22 -8.176 17.479 4.494 1.00 21.22 H new ATOM 0 HA LEU A 22 -10.015 15.974 3.022 1.00 2.54 H new ATOM 0 HB2 LEU A 22 -8.234 14.252 3.011 1.00 2.14 H new ATOM 0 HB3 LEU A 22 -7.641 15.851 2.608 1.00 2.14 H new ATOM 0 HG LEU A 22 -6.933 15.970 5.110 1.00 75.30 H new ATOM 0 HD11 LEU A 22 -6.280 13.820 6.110 1.00 54.32 H new ATOM 0 HD12 LEU A 22 -8.043 13.985 5.932 1.00 54.32 H new ATOM 0 HD13 LEU A 22 -7.126 12.965 4.798 1.00 54.32 H new ATOM 0 HD21 LEU A 22 -4.762 14.915 4.554 1.00 52.15 H new ATOM 0 HD22 LEU A 22 -5.511 14.169 3.122 1.00 52.15 H new ATOM 0 HD23 LEU A 22 -5.374 15.940 3.234 1.00 52.15 H new ATOM 326 N LEU A 23 -10.231 15.268 6.098 1.00 74.33 N ATOM 327 CA LEU A 23 -10.995 14.506 7.059 1.00 50.31 C ATOM 328 C LEU A 23 -12.502 14.561 6.734 1.00 4.00 C ATOM 329 O LEU A 23 -13.253 13.627 7.014 1.00 10.32 O ATOM 330 CB LEU A 23 -10.653 14.961 8.501 1.00 35.44 C ATOM 331 CG LEU A 23 -10.637 16.482 8.812 1.00 21.22 C ATOM 332 CD1 LEU A 23 -12.028 17.099 8.838 1.00 54.25 C ATOM 333 CD2 LEU A 23 -9.907 16.746 10.116 1.00 61.23 C ATOM 0 H LEU A 23 -9.773 16.092 6.488 1.00 74.33 H new ATOM 0 HA LEU A 23 -10.716 13.455 6.992 1.00 50.31 H new ATOM 0 HB2 LEU A 23 -11.369 14.492 9.176 1.00 35.44 H new ATOM 0 HB3 LEU A 23 -9.670 14.561 8.751 1.00 35.44 H new ATOM 0 HG LEU A 23 -10.101 16.966 7.995 1.00 21.22 H new ATOM 0 HD11 LEU A 23 -11.950 18.163 9.060 1.00 54.25 H new ATOM 0 HD12 LEU A 23 -12.504 16.965 7.866 1.00 54.25 H new ATOM 0 HD13 LEU A 23 -12.628 16.611 9.606 1.00 54.25 H new ATOM 0 HD21 LEU A 23 -9.904 17.817 10.321 1.00 61.23 H new ATOM 0 HD22 LEU A 23 -10.412 16.223 10.928 1.00 61.23 H new ATOM 0 HD23 LEU A 23 -8.880 16.389 10.037 1.00 61.23 H new ATOM 345 N LYS A 24 -12.898 15.635 6.076 1.00 71.14 N ATOM 346 CA LYS A 24 -14.255 15.843 5.636 1.00 63.31 C ATOM 347 C LYS A 24 -14.517 14.929 4.441 1.00 51.41 C ATOM 348 O LYS A 24 -15.571 14.309 4.332 1.00 3.24 O ATOM 349 CB LYS A 24 -14.420 17.314 5.259 1.00 23.44 C ATOM 350 CG LYS A 24 -15.783 17.718 4.733 1.00 1.24 C ATOM 351 CD LYS A 24 -15.776 19.173 4.271 1.00 22.24 C ATOM 352 CE LYS A 24 -15.547 20.144 5.426 1.00 44.30 C ATOM 353 NZ LYS A 24 -15.338 21.526 4.953 1.00 40.33 N ATOM 0 H LYS A 24 -12.269 16.399 5.830 1.00 71.14 H new ATOM 0 HA LYS A 24 -14.972 15.604 6.421 1.00 63.31 H new ATOM 0 HB2 LYS A 24 -14.197 17.920 6.137 1.00 23.44 H new ATOM 0 HB3 LYS A 24 -13.674 17.561 4.504 1.00 23.44 H new ATOM 0 HG2 LYS A 24 -16.064 17.070 3.903 1.00 1.24 H new ATOM 0 HG3 LYS A 24 -16.533 17.583 5.512 1.00 1.24 H new ATOM 0 HD2 LYS A 24 -14.996 19.311 3.523 1.00 22.24 H new ATOM 0 HD3 LYS A 24 -16.725 19.403 3.788 1.00 22.24 H new ATOM 0 HE2 LYS A 24 -16.405 20.117 6.098 1.00 44.30 H new ATOM 0 HE3 LYS A 24 -14.680 19.823 6.003 1.00 44.30 H new ATOM 0 HZ1 LYS A 24 -15.758 22.193 5.632 1.00 40.33 H new ATOM 0 HZ2 LYS A 24 -14.319 21.714 4.869 1.00 40.33 H new ATOM 0 HZ3 LYS A 24 -15.790 21.647 4.024 1.00 40.33 H new ATOM 367 N GLU A 25 -13.522 14.819 3.576 1.00 31.24 N ATOM 368 CA GLU A 25 -13.573 13.934 2.420 1.00 61.11 C ATOM 369 C GLU A 25 -13.595 12.464 2.880 1.00 74.14 C ATOM 370 O GLU A 25 -14.260 11.615 2.271 1.00 25.23 O ATOM 371 CB GLU A 25 -12.387 14.223 1.492 1.00 42.23 C ATOM 372 CG GLU A 25 -12.309 13.351 0.260 1.00 11.44 C ATOM 373 CD GLU A 25 -11.214 13.788 -0.673 1.00 11.34 C ATOM 374 OE1 GLU A 25 -10.019 13.649 -0.333 1.00 44.33 O ATOM 375 OE2 GLU A 25 -11.528 14.253 -1.795 1.00 60.24 O ATOM 0 H GLU A 25 -12.651 15.343 3.655 1.00 31.24 H new ATOM 0 HA GLU A 25 -14.489 14.117 1.858 1.00 61.11 H new ATOM 0 HB2 GLU A 25 -12.437 15.265 1.178 1.00 42.23 H new ATOM 0 HB3 GLU A 25 -11.464 14.106 2.060 1.00 42.23 H new ATOM 0 HG2 GLU A 25 -12.139 12.317 0.559 1.00 11.44 H new ATOM 0 HG3 GLU A 25 -13.264 13.379 -0.264 1.00 11.44 H new ATOM 382 N MET A 26 -12.878 12.175 3.963 1.00 71.22 N ATOM 383 CA MET A 26 -12.900 10.848 4.578 1.00 43.33 C ATOM 384 C MET A 26 -14.323 10.539 5.043 1.00 41.52 C ATOM 385 O MET A 26 -14.839 9.444 4.819 1.00 12.41 O ATOM 386 CB MET A 26 -11.925 10.770 5.775 1.00 53.23 C ATOM 387 CG MET A 26 -11.861 9.402 6.495 1.00 61.44 C ATOM 388 SD MET A 26 -10.704 8.175 5.774 1.00 25.03 S ATOM 389 CE MET A 26 -11.305 7.932 4.102 1.00 34.03 C ATOM 0 H MET A 26 -12.271 12.845 4.436 1.00 71.22 H new ATOM 0 HA MET A 26 -12.580 10.113 3.839 1.00 43.33 H new ATOM 0 HB2 MET A 26 -10.925 11.023 5.423 1.00 53.23 H new ATOM 0 HB3 MET A 26 -12.209 11.531 6.502 1.00 53.23 H new ATOM 0 HG2 MET A 26 -11.579 9.572 7.534 1.00 61.44 H new ATOM 0 HG3 MET A 26 -12.861 8.969 6.503 1.00 61.44 H new ATOM 0 HE1 MET A 26 -10.938 6.980 3.718 1.00 34.03 H new ATOM 0 HE2 MET A 26 -12.395 7.926 4.104 1.00 34.03 H new ATOM 0 HE3 MET A 26 -10.948 8.742 3.466 1.00 34.03 H new ATOM 399 N GLU A 27 -14.966 11.535 5.634 1.00 33.31 N ATOM 400 CA GLU A 27 -16.335 11.407 6.094 1.00 73.14 C ATOM 401 C GLU A 27 -17.303 11.253 4.903 1.00 62.10 C ATOM 402 O GLU A 27 -18.297 10.535 4.982 1.00 44.34 O ATOM 403 CB GLU A 27 -16.731 12.603 6.941 1.00 23.54 C ATOM 404 CG GLU A 27 -18.106 12.471 7.548 1.00 43.03 C ATOM 405 CD GLU A 27 -18.547 13.707 8.250 1.00 12.21 C ATOM 406 OE1 GLU A 27 -18.180 13.905 9.407 1.00 30.43 O ATOM 407 OE2 GLU A 27 -19.306 14.496 7.653 1.00 54.30 O ATOM 0 H GLU A 27 -14.552 12.451 5.807 1.00 33.31 H new ATOM 0 HA GLU A 27 -16.400 10.509 6.709 1.00 73.14 H new ATOM 0 HB2 GLU A 27 -16.000 12.734 7.739 1.00 23.54 H new ATOM 0 HB3 GLU A 27 -16.697 13.503 6.327 1.00 23.54 H new ATOM 0 HG2 GLU A 27 -18.823 12.229 6.763 1.00 43.03 H new ATOM 0 HG3 GLU A 27 -18.109 11.638 8.251 1.00 43.03 H new ATOM 414 N SER A 28 -16.998 11.909 3.796 1.00 31.23 N ATOM 415 CA SER A 28 -17.809 11.782 2.593 1.00 21.35 C ATOM 416 C SER A 28 -17.651 10.381 1.988 1.00 14.14 C ATOM 417 O SER A 28 -18.487 9.918 1.226 1.00 21.31 O ATOM 418 CB SER A 28 -17.436 12.869 1.584 1.00 4.34 C ATOM 419 OG SER A 28 -17.588 14.161 2.168 1.00 71.31 O ATOM 0 H SER A 28 -16.197 12.534 3.704 1.00 31.23 H new ATOM 0 HA SER A 28 -18.858 11.916 2.858 1.00 21.35 H new ATOM 0 HB2 SER A 28 -16.406 12.731 1.254 1.00 4.34 H new ATOM 0 HB3 SER A 28 -18.068 12.786 0.700 1.00 4.34 H new ATOM 0 HG SER A 28 -16.932 14.274 2.887 1.00 71.31 H new ATOM 425 N SER A 29 -16.593 9.712 2.369 1.00 73.14 N ATOM 426 CA SER A 29 -16.327 8.381 1.919 1.00 15.32 C ATOM 427 C SER A 29 -17.028 7.355 2.825 1.00 50.45 C ATOM 428 O SER A 29 -17.131 6.174 2.471 1.00 32.53 O ATOM 429 CB SER A 29 -14.821 8.133 1.874 1.00 73.41 C ATOM 430 OG SER A 29 -14.531 6.835 1.394 1.00 44.21 O ATOM 0 H SER A 29 -15.889 10.084 3.006 1.00 73.14 H new ATOM 0 HA SER A 29 -16.724 8.264 0.911 1.00 15.32 H new ATOM 0 HB2 SER A 29 -14.346 8.875 1.232 1.00 73.41 H new ATOM 0 HB3 SER A 29 -14.399 8.258 2.871 1.00 73.41 H new ATOM 0 HG SER A 29 -15.265 6.229 1.626 1.00 44.21 H new ATOM 436 N THR A 30 -17.443 7.789 4.007 1.00 2.12 N ATOM 437 CA THR A 30 -18.123 6.936 4.952 1.00 64.44 C ATOM 438 C THR A 30 -19.412 6.377 4.340 1.00 23.34 C ATOM 439 O THR A 30 -20.314 7.125 3.932 1.00 4.32 O ATOM 440 CB THR A 30 -18.424 7.717 6.236 1.00 33.11 C ATOM 441 OG1 THR A 30 -17.197 8.314 6.689 1.00 14.42 O ATOM 442 CG2 THR A 30 -18.966 6.805 7.332 1.00 1.15 C ATOM 0 H THR A 30 -17.314 8.747 4.332 1.00 2.12 H new ATOM 0 HA THR A 30 -17.476 6.095 5.199 1.00 64.44 H new ATOM 0 HB THR A 30 -19.181 8.472 6.022 1.00 33.11 H new ATOM 0 HG1 THR A 30 -17.364 8.822 7.510 1.00 14.42 H new ATOM 0 HG21 THR A 30 -19.168 7.393 8.227 1.00 1.15 H new ATOM 0 HG22 THR A 30 -19.888 6.335 6.991 1.00 1.15 H new ATOM 0 HG23 THR A 30 -18.229 6.035 7.562 1.00 1.15 H new ATOM 450 N GLY A 31 -19.455 5.086 4.252 1.00 20.54 N ATOM 451 CA GLY A 31 -20.554 4.385 3.679 1.00 52.34 C ATOM 452 C GLY A 31 -20.355 2.932 3.923 1.00 61.43 C ATOM 453 O GLY A 31 -20.955 2.351 4.814 1.00 2.41 O ATOM 0 H GLY A 31 -18.708 4.477 4.585 1.00 20.54 H new ATOM 0 HA2 GLY A 31 -21.492 4.720 4.122 1.00 52.34 H new ATOM 0 HA3 GLY A 31 -20.617 4.586 2.610 1.00 52.34 H new ATOM 457 N THR A 32 -19.513 2.345 3.145 1.00 74.31 N ATOM 458 CA THR A 32 -19.128 0.996 3.356 1.00 12.44 C ATOM 459 C THR A 32 -17.626 0.962 3.663 1.00 30.43 C ATOM 460 O THR A 32 -16.859 1.837 3.197 1.00 1.34 O ATOM 461 CB THR A 32 -19.481 0.078 2.138 1.00 31.41 C ATOM 462 OG1 THR A 32 -19.242 -1.300 2.464 1.00 40.03 O ATOM 463 CG2 THR A 32 -18.667 0.445 0.902 1.00 55.42 C ATOM 0 H THR A 32 -19.071 2.791 2.341 1.00 74.31 H new ATOM 0 HA THR A 32 -19.689 0.598 4.201 1.00 12.44 H new ATOM 0 HB THR A 32 -20.537 0.229 1.916 1.00 31.41 H new ATOM 0 HG1 THR A 32 -19.469 -1.862 1.694 1.00 40.03 H new ATOM 0 HG21 THR A 32 -18.940 -0.214 0.078 1.00 55.42 H new ATOM 0 HG22 THR A 32 -18.874 1.479 0.624 1.00 55.42 H new ATOM 0 HG23 THR A 32 -17.605 0.333 1.119 1.00 55.42 H new ATOM 471 N ALA A 33 -17.220 0.029 4.457 1.00 45.42 N ATOM 472 CA ALA A 33 -15.834 -0.174 4.746 1.00 33.30 C ATOM 473 C ALA A 33 -15.524 -1.608 4.415 1.00 33.50 C ATOM 474 O ALA A 33 -16.125 -2.506 5.005 1.00 15.15 O ATOM 475 CB ALA A 33 -15.545 0.117 6.214 1.00 0.03 C ATOM 0 H ALA A 33 -17.845 -0.623 4.930 1.00 45.42 H new ATOM 0 HA ALA A 33 -15.211 0.500 4.158 1.00 33.30 H new ATOM 0 HB1 ALA A 33 -14.486 -0.043 6.415 1.00 0.03 H new ATOM 0 HB2 ALA A 33 -15.805 1.152 6.438 1.00 0.03 H new ATOM 0 HB3 ALA A 33 -16.138 -0.549 6.841 1.00 0.03 H new ATOM 481 N PRO A 34 -14.639 -1.872 3.431 1.00 75.01 N ATOM 482 CA PRO A 34 -14.332 -3.243 3.043 1.00 35.12 C ATOM 483 C PRO A 34 -13.706 -4.004 4.197 1.00 64.32 C ATOM 484 O PRO A 34 -12.913 -3.448 4.968 1.00 13.23 O ATOM 485 CB PRO A 34 -13.312 -3.083 1.901 1.00 35.05 C ATOM 486 CG PRO A 34 -13.472 -1.674 1.432 1.00 3.33 C ATOM 487 CD PRO A 34 -13.886 -0.884 2.636 1.00 51.33 C ATOM 0 HA PRO A 34 -15.221 -3.801 2.750 1.00 35.12 H new ATOM 0 HB2 PRO A 34 -12.296 -3.269 2.250 1.00 35.05 H new ATOM 0 HB3 PRO A 34 -13.507 -3.791 1.096 1.00 35.05 H new ATOM 0 HG2 PRO A 34 -12.539 -1.293 1.017 1.00 3.33 H new ATOM 0 HG3 PRO A 34 -14.223 -1.608 0.644 1.00 3.33 H new ATOM 0 HD2 PRO A 34 -13.025 -0.497 3.182 1.00 51.33 H new ATOM 0 HD3 PRO A 34 -14.503 -0.027 2.365 1.00 51.33 H new ATOM 495 N ALA A 35 -14.082 -5.235 4.333 1.00 70.01 N ATOM 496 CA ALA A 35 -13.564 -6.094 5.350 1.00 31.21 C ATOM 497 C ALA A 35 -13.222 -7.417 4.732 1.00 25.01 C ATOM 498 O ALA A 35 -14.058 -8.025 4.062 1.00 74.51 O ATOM 499 CB ALA A 35 -14.585 -6.276 6.467 1.00 24.23 C ATOM 0 H ALA A 35 -14.772 -5.681 3.728 1.00 70.01 H new ATOM 0 HA ALA A 35 -12.669 -5.649 5.785 1.00 31.21 H new ATOM 0 HB1 ALA A 35 -14.173 -6.933 7.233 1.00 24.23 H new ATOM 0 HB2 ALA A 35 -14.819 -5.307 6.908 1.00 24.23 H new ATOM 0 HB3 ALA A 35 -15.494 -6.718 6.060 1.00 24.23 H new ATOM 505 N SER A 36 -12.031 -7.860 4.912 1.00 1.25 N ATOM 506 CA SER A 36 -11.638 -9.134 4.408 1.00 42.53 C ATOM 507 C SER A 36 -10.938 -9.902 5.527 1.00 34.20 C ATOM 508 O SER A 36 -10.359 -9.291 6.437 1.00 54.12 O ATOM 509 CB SER A 36 -10.728 -8.962 3.178 1.00 24.10 C ATOM 510 OG SER A 36 -11.362 -8.176 2.166 1.00 51.41 O ATOM 0 H SER A 36 -11.299 -7.354 5.411 1.00 1.25 H new ATOM 0 HA SER A 36 -12.511 -9.701 4.084 1.00 42.53 H new ATOM 0 HB2 SER A 36 -9.794 -8.487 3.478 1.00 24.10 H new ATOM 0 HB3 SER A 36 -10.472 -9.941 2.773 1.00 24.10 H new ATOM 0 HG SER A 36 -10.760 -8.083 1.399 1.00 51.41 H new ATOM 516 N THR A 37 -11.044 -11.197 5.501 1.00 52.50 N ATOM 517 CA THR A 37 -10.401 -12.034 6.468 1.00 23.34 C ATOM 518 C THR A 37 -9.575 -13.094 5.751 1.00 31.53 C ATOM 519 O THR A 37 -9.864 -13.424 4.586 1.00 32.33 O ATOM 520 CB THR A 37 -11.437 -12.678 7.431 1.00 51.22 C ATOM 521 OG1 THR A 37 -12.593 -13.126 6.694 1.00 71.14 O ATOM 522 CG2 THR A 37 -11.869 -11.699 8.514 1.00 32.44 C ATOM 0 H THR A 37 -11.584 -11.706 4.802 1.00 52.50 H new ATOM 0 HA THR A 37 -9.736 -11.424 7.079 1.00 23.34 H new ATOM 0 HB THR A 37 -10.958 -13.532 7.910 1.00 51.22 H new ATOM 0 HG1 THR A 37 -13.237 -13.531 7.311 1.00 71.14 H new ATOM 0 HG21 THR A 37 -12.594 -12.180 9.171 1.00 32.44 H new ATOM 0 HG22 THR A 37 -10.999 -11.393 9.095 1.00 32.44 H new ATOM 0 HG23 THR A 37 -12.324 -10.823 8.052 1.00 32.44 H new ATOM 530 N GLY A 38 -8.537 -13.577 6.386 1.00 61.45 N ATOM 531 CA GLY A 38 -7.714 -14.592 5.776 1.00 71.13 C ATOM 532 C GLY A 38 -6.312 -14.102 5.508 1.00 14.22 C ATOM 533 O GLY A 38 -5.616 -14.616 4.626 1.00 60.23 O ATOM 0 H GLY A 38 -8.243 -13.287 7.319 1.00 61.45 H new ATOM 0 HA2 GLY A 38 -7.674 -15.465 6.427 1.00 71.13 H new ATOM 0 HA3 GLY A 38 -8.170 -14.913 4.840 1.00 71.13 H new ATOM 537 N ALA A 39 -5.886 -13.108 6.266 1.00 35.13 N ATOM 538 CA ALA A 39 -4.552 -12.563 6.127 1.00 23.12 C ATOM 539 C ALA A 39 -3.550 -13.517 6.733 1.00 31.24 C ATOM 540 O ALA A 39 -2.455 -13.687 6.221 1.00 30.34 O ATOM 541 CB ALA A 39 -4.448 -11.195 6.787 1.00 71.22 C ATOM 0 H ALA A 39 -6.450 -12.661 6.988 1.00 35.13 H new ATOM 0 HA ALA A 39 -4.336 -12.438 5.066 1.00 23.12 H new ATOM 0 HB1 ALA A 39 -3.436 -10.809 6.667 1.00 71.22 H new ATOM 0 HB2 ALA A 39 -5.155 -10.510 6.318 1.00 71.22 H new ATOM 0 HB3 ALA A 39 -4.679 -11.285 7.848 1.00 71.22 H new ATOM 547 N GLU A 40 -3.978 -14.206 7.778 1.00 54.22 N ATOM 548 CA GLU A 40 -3.126 -15.143 8.488 1.00 43.43 C ATOM 549 C GLU A 40 -3.089 -16.490 7.781 1.00 62.34 C ATOM 550 O GLU A 40 -2.359 -17.399 8.183 1.00 34.42 O ATOM 551 CB GLU A 40 -3.544 -15.318 9.967 1.00 34.23 C ATOM 552 CG GLU A 40 -4.998 -15.747 10.212 1.00 20.54 C ATOM 553 CD GLU A 40 -6.006 -14.637 10.000 1.00 53.45 C ATOM 554 OE1 GLU A 40 -6.492 -14.450 8.867 1.00 42.41 O ATOM 555 OE2 GLU A 40 -6.343 -13.937 10.981 1.00 72.41 O ATOM 0 H GLU A 40 -4.922 -14.131 8.156 1.00 54.22 H new ATOM 0 HA GLU A 40 -2.122 -14.718 8.485 1.00 43.43 H new ATOM 0 HB2 GLU A 40 -2.886 -16.057 10.424 1.00 34.23 H new ATOM 0 HB3 GLU A 40 -3.372 -14.375 10.486 1.00 34.23 H new ATOM 0 HG2 GLU A 40 -5.239 -16.576 9.547 1.00 20.54 H new ATOM 0 HG3 GLU A 40 -5.090 -16.119 11.232 1.00 20.54 H new ATOM 562 N ASN A 41 -3.848 -16.596 6.706 1.00 54.44 N ATOM 563 CA ASN A 41 -3.893 -17.809 5.910 1.00 14.34 C ATOM 564 C ASN A 41 -2.687 -17.839 5.023 1.00 23.21 C ATOM 565 O ASN A 41 -2.123 -18.906 4.765 1.00 31.22 O ATOM 566 CB ASN A 41 -5.160 -17.885 5.035 1.00 61.41 C ATOM 567 CG ASN A 41 -6.455 -18.092 5.803 1.00 43.12 C ATOM 568 OD1 ASN A 41 -6.610 -17.656 6.943 1.00 14.45 O ATOM 569 ND2 ASN A 41 -7.395 -18.758 5.182 1.00 64.22 N ATOM 0 H ASN A 41 -4.448 -15.847 6.361 1.00 54.44 H new ATOM 0 HA ASN A 41 -3.909 -18.661 6.590 1.00 14.34 H new ATOM 0 HB2 ASN A 41 -5.240 -16.965 4.457 1.00 61.41 H new ATOM 0 HB3 ASN A 41 -5.043 -18.701 4.321 1.00 61.41 H new ATOM 0 HD21 ASN A 41 -8.289 -18.929 5.643 1.00 64.22 H new ATOM 0 HD22 ASN A 41 -7.234 -19.106 4.237 1.00 64.22 H new ATOM 576 N LEU A 42 -2.287 -16.638 4.585 1.00 5.12 N ATOM 577 CA LEU A 42 -1.123 -16.418 3.748 1.00 12.22 C ATOM 578 C LEU A 42 -1.164 -17.219 2.443 1.00 72.52 C ATOM 579 O LEU A 42 -0.730 -18.373 2.398 1.00 44.41 O ATOM 580 CB LEU A 42 0.177 -16.668 4.521 1.00 3.10 C ATOM 581 CG LEU A 42 0.484 -15.687 5.655 1.00 41.40 C ATOM 582 CD1 LEU A 42 1.744 -16.109 6.387 1.00 54.22 C ATOM 583 CD2 LEU A 42 0.647 -14.271 5.110 1.00 50.03 C ATOM 0 H LEU A 42 -2.784 -15.777 4.814 1.00 5.12 H new ATOM 0 HA LEU A 42 -1.147 -15.367 3.460 1.00 12.22 H new ATOM 0 HB2 LEU A 42 0.140 -17.674 4.938 1.00 3.10 H new ATOM 0 HB3 LEU A 42 1.006 -16.646 3.814 1.00 3.10 H new ATOM 0 HG LEU A 42 -0.352 -15.697 6.354 1.00 41.40 H new ATOM 0 HD11 LEU A 42 1.951 -15.403 7.191 1.00 54.22 H new ATOM 0 HD12 LEU A 42 1.605 -17.106 6.806 1.00 54.22 H new ATOM 0 HD13 LEU A 42 2.582 -16.122 5.691 1.00 54.22 H new ATOM 0 HD21 LEU A 42 0.865 -13.588 5.931 1.00 50.03 H new ATOM 0 HD22 LEU A 42 1.467 -14.249 4.393 1.00 50.03 H new ATOM 0 HD23 LEU A 42 -0.275 -13.963 4.616 1.00 50.03 H new ATOM 595 N PRO A 43 -1.726 -16.624 1.363 1.00 52.45 N ATOM 596 CA PRO A 43 -1.806 -17.282 0.054 1.00 22.40 C ATOM 597 C PRO A 43 -0.430 -17.768 -0.428 1.00 71.41 C ATOM 598 O PRO A 43 -0.200 -18.972 -0.571 1.00 34.33 O ATOM 599 CB PRO A 43 -2.353 -16.185 -0.884 1.00 1.25 C ATOM 600 CG PRO A 43 -2.303 -14.913 -0.098 1.00 70.32 C ATOM 601 CD PRO A 43 -2.377 -15.298 1.341 1.00 2.54 C ATOM 0 HA PRO A 43 -2.435 -18.172 0.085 1.00 22.40 H new ATOM 0 HB2 PRO A 43 -1.751 -16.109 -1.789 1.00 1.25 H new ATOM 0 HB3 PRO A 43 -3.372 -16.411 -1.197 1.00 1.25 H new ATOM 0 HG2 PRO A 43 -1.384 -14.365 -0.306 1.00 70.32 H new ATOM 0 HG3 PRO A 43 -3.132 -14.258 -0.367 1.00 70.32 H new ATOM 0 HD2 PRO A 43 -1.857 -14.582 1.978 1.00 2.54 H new ATOM 0 HD3 PRO A 43 -3.407 -15.348 1.693 1.00 2.54 H new ATOM 609 N ALA A 44 0.471 -16.836 -0.656 1.00 24.21 N ATOM 610 CA ALA A 44 1.830 -17.161 -1.082 1.00 70.32 C ATOM 611 C ALA A 44 2.841 -16.545 -0.134 1.00 11.21 C ATOM 612 O ALA A 44 4.034 -16.457 -0.445 1.00 1.22 O ATOM 613 CB ALA A 44 2.073 -16.653 -2.491 1.00 63.23 C ATOM 0 H ALA A 44 0.292 -15.837 -0.554 1.00 24.21 H new ATOM 0 HA ALA A 44 1.946 -18.245 -1.069 1.00 70.32 H new ATOM 0 HB1 ALA A 44 3.089 -16.901 -2.797 1.00 63.23 H new ATOM 0 HB2 ALA A 44 1.364 -17.121 -3.174 1.00 63.23 H new ATOM 0 HB3 ALA A 44 1.941 -15.571 -2.516 1.00 63.23 H new ATOM 619 N GLY A 45 2.364 -16.129 1.025 1.00 41.13 N ATOM 620 CA GLY A 45 3.225 -15.478 2.000 1.00 54.52 C ATOM 621 C GLY A 45 3.500 -14.031 1.649 1.00 51.24 C ATOM 622 O GLY A 45 4.446 -13.431 2.147 1.00 52.53 O ATOM 0 H GLY A 45 1.391 -16.229 1.315 1.00 41.13 H new ATOM 0 HA2 GLY A 45 2.759 -15.528 2.984 1.00 54.52 H new ATOM 0 HA3 GLY A 45 4.169 -16.019 2.066 1.00 54.52 H new ATOM 626 N SER A 46 2.675 -13.479 0.793 1.00 3.31 N ATOM 627 CA SER A 46 2.831 -12.130 0.340 1.00 53.14 C ATOM 628 C SER A 46 1.463 -11.463 0.300 1.00 63.14 C ATOM 629 O SER A 46 0.417 -12.146 0.378 1.00 73.02 O ATOM 630 CB SER A 46 3.510 -12.116 -1.048 1.00 1.12 C ATOM 631 OG SER A 46 3.708 -10.800 -1.543 1.00 44.12 O ATOM 0 H SER A 46 1.872 -13.963 0.391 1.00 3.31 H new ATOM 0 HA SER A 46 3.470 -11.573 1.024 1.00 53.14 H new ATOM 0 HB2 SER A 46 4.472 -12.625 -0.984 1.00 1.12 H new ATOM 0 HB3 SER A 46 2.898 -12.678 -1.754 1.00 1.12 H new ATOM 0 HG SER A 46 4.380 -10.342 -0.996 1.00 44.12 H new ATOM 637 N ALA A 47 1.477 -10.165 0.162 1.00 54.32 N ATOM 638 CA ALA A 47 0.302 -9.338 0.163 1.00 14.45 C ATOM 639 C ALA A 47 0.571 -8.121 -0.687 1.00 64.15 C ATOM 640 O ALA A 47 1.738 -7.778 -0.920 1.00 73.20 O ATOM 641 CB ALA A 47 -0.077 -8.948 1.569 1.00 13.03 C ATOM 0 H ALA A 47 2.340 -9.635 0.041 1.00 54.32 H new ATOM 0 HA ALA A 47 -0.540 -9.892 -0.253 1.00 14.45 H new ATOM 0 HB1 ALA A 47 -0.969 -8.322 1.545 1.00 13.03 H new ATOM 0 HB2 ALA A 47 -0.279 -9.846 2.154 1.00 13.03 H new ATOM 0 HB3 ALA A 47 0.743 -8.394 2.026 1.00 13.03 H new ATOM 647 N LEU A 48 -0.461 -7.492 -1.175 1.00 30.32 N ATOM 648 CA LEU A 48 -0.295 -6.384 -2.079 1.00 51.14 C ATOM 649 C LEU A 48 -1.206 -5.231 -1.715 1.00 62.21 C ATOM 650 O LEU A 48 -2.185 -5.412 -1.012 1.00 70.31 O ATOM 651 CB LEU A 48 -0.493 -6.862 -3.549 1.00 44.04 C ATOM 652 CG LEU A 48 -1.823 -7.562 -3.924 1.00 31.02 C ATOM 653 CD1 LEU A 48 -2.978 -6.577 -4.093 1.00 3.43 C ATOM 654 CD2 LEU A 48 -1.645 -8.406 -5.172 1.00 15.25 C ATOM 0 H LEU A 48 -1.430 -7.727 -0.962 1.00 30.32 H new ATOM 0 HA LEU A 48 0.723 -6.004 -1.989 1.00 51.14 H new ATOM 0 HB2 LEU A 48 -0.380 -5.994 -4.198 1.00 44.04 H new ATOM 0 HB3 LEU A 48 0.321 -7.546 -3.788 1.00 44.04 H new ATOM 0 HG LEU A 48 -2.088 -8.213 -3.091 1.00 31.02 H new ATOM 0 HD11 LEU A 48 -3.885 -7.121 -4.355 1.00 3.43 H new ATOM 0 HD12 LEU A 48 -3.136 -6.038 -3.159 1.00 3.43 H new ATOM 0 HD13 LEU A 48 -2.738 -5.868 -4.885 1.00 3.43 H new ATOM 0 HD21 LEU A 48 -2.589 -8.891 -5.421 1.00 15.25 H new ATOM 0 HD22 LEU A 48 -1.334 -7.769 -6.000 1.00 15.25 H new ATOM 0 HD23 LEU A 48 -0.884 -9.165 -4.992 1.00 15.25 H new ATOM 666 N LEU A 49 -0.883 -4.064 -2.177 1.00 20.24 N ATOM 667 CA LEU A 49 -1.719 -2.918 -1.949 1.00 65.44 C ATOM 668 C LEU A 49 -2.010 -2.266 -3.276 1.00 12.43 C ATOM 669 O LEU A 49 -1.116 -2.133 -4.124 1.00 34.42 O ATOM 670 CB LEU A 49 -1.118 -1.889 -0.938 1.00 24.21 C ATOM 671 CG LEU A 49 0.096 -1.026 -1.375 1.00 24.05 C ATOM 672 CD1 LEU A 49 0.391 0.025 -0.320 1.00 31.23 C ATOM 673 CD2 LEU A 49 1.339 -1.867 -1.594 1.00 4.34 C ATOM 0 H LEU A 49 -0.040 -3.875 -2.719 1.00 20.24 H new ATOM 0 HA LEU A 49 -2.640 -3.267 -1.482 1.00 65.44 H new ATOM 0 HB2 LEU A 49 -1.918 -1.208 -0.647 1.00 24.21 H new ATOM 0 HB3 LEU A 49 -0.826 -2.439 -0.043 1.00 24.21 H new ATOM 0 HG LEU A 49 -0.167 -0.551 -2.320 1.00 24.05 H new ATOM 0 HD11 LEU A 49 1.244 0.626 -0.634 1.00 31.23 H new ATOM 0 HD12 LEU A 49 -0.480 0.668 -0.194 1.00 31.23 H new ATOM 0 HD13 LEU A 49 0.621 -0.464 0.627 1.00 31.23 H new ATOM 0 HD21 LEU A 49 2.165 -1.224 -1.899 1.00 4.34 H new ATOM 0 HD22 LEU A 49 1.600 -2.378 -0.667 1.00 4.34 H new ATOM 0 HD23 LEU A 49 1.147 -2.604 -2.373 1.00 4.34 H new ATOM 685 N VAL A 50 -3.237 -1.919 -3.485 1.00 52.24 N ATOM 686 CA VAL A 50 -3.639 -1.281 -4.709 1.00 31.00 C ATOM 687 C VAL A 50 -3.983 0.172 -4.434 1.00 15.50 C ATOM 688 O VAL A 50 -4.604 0.488 -3.408 1.00 53.03 O ATOM 689 CB VAL A 50 -4.830 -2.036 -5.403 1.00 51.22 C ATOM 690 CG1 VAL A 50 -6.068 -2.107 -4.512 1.00 61.54 C ATOM 691 CG2 VAL A 50 -5.170 -1.417 -6.757 1.00 50.44 C ATOM 0 H VAL A 50 -3.994 -2.067 -2.817 1.00 52.24 H new ATOM 0 HA VAL A 50 -2.804 -1.320 -5.409 1.00 31.00 H new ATOM 0 HB VAL A 50 -4.494 -3.059 -5.572 1.00 51.22 H new ATOM 0 HG11 VAL A 50 -6.863 -2.638 -5.036 1.00 61.54 H new ATOM 0 HG12 VAL A 50 -5.824 -2.636 -3.591 1.00 61.54 H new ATOM 0 HG13 VAL A 50 -6.402 -1.098 -4.272 1.00 61.54 H new ATOM 0 HG21 VAL A 50 -5.998 -1.963 -7.209 1.00 50.44 H new ATOM 0 HG22 VAL A 50 -5.456 -0.374 -6.619 1.00 50.44 H new ATOM 0 HG23 VAL A 50 -4.299 -1.471 -7.411 1.00 50.44 H new ATOM 701 N VAL A 51 -3.540 1.055 -5.293 1.00 42.10 N ATOM 702 CA VAL A 51 -3.834 2.445 -5.136 1.00 3.52 C ATOM 703 C VAL A 51 -5.233 2.657 -5.671 1.00 43.25 C ATOM 704 O VAL A 51 -5.488 2.444 -6.859 1.00 14.35 O ATOM 705 CB VAL A 51 -2.837 3.323 -5.936 1.00 51.13 C ATOM 706 CG1 VAL A 51 -2.998 4.793 -5.582 1.00 2.34 C ATOM 707 CG2 VAL A 51 -1.396 2.868 -5.725 1.00 32.05 C ATOM 0 H VAL A 51 -2.972 0.828 -6.110 1.00 42.10 H new ATOM 0 HA VAL A 51 -3.752 2.730 -4.087 1.00 3.52 H new ATOM 0 HB VAL A 51 -3.070 3.201 -6.994 1.00 51.13 H new ATOM 0 HG11 VAL A 51 -2.287 5.386 -6.157 1.00 2.34 H new ATOM 0 HG12 VAL A 51 -4.013 5.115 -5.817 1.00 2.34 H new ATOM 0 HG13 VAL A 51 -2.810 4.934 -4.518 1.00 2.34 H new ATOM 0 HG21 VAL A 51 -0.725 3.506 -6.301 1.00 32.05 H new ATOM 0 HG22 VAL A 51 -1.144 2.937 -4.667 1.00 32.05 H new ATOM 0 HG23 VAL A 51 -1.288 1.835 -6.057 1.00 32.05 H new ATOM 717 N LYS A 52 -6.127 3.073 -4.818 1.00 2.51 N ATOM 718 CA LYS A 52 -7.510 3.208 -5.206 1.00 23.03 C ATOM 719 C LYS A 52 -7.745 4.612 -5.728 1.00 53.32 C ATOM 720 O LYS A 52 -8.556 4.842 -6.619 1.00 41.22 O ATOM 721 CB LYS A 52 -8.408 2.905 -4.010 1.00 43.44 C ATOM 722 CG LYS A 52 -9.874 2.686 -4.341 1.00 51.21 C ATOM 723 CD LYS A 52 -10.061 1.473 -5.246 1.00 64.41 C ATOM 724 CE LYS A 52 -11.524 1.183 -5.472 1.00 60.31 C ATOM 725 NZ LYS A 52 -11.736 0.033 -6.383 1.00 14.33 N ATOM 0 H LYS A 52 -5.927 3.325 -3.850 1.00 2.51 H new ATOM 0 HA LYS A 52 -7.751 2.499 -5.998 1.00 23.03 H new ATOM 0 HB2 LYS A 52 -8.029 2.015 -3.507 1.00 43.44 H new ATOM 0 HB3 LYS A 52 -8.331 3.729 -3.301 1.00 43.44 H new ATOM 0 HG2 LYS A 52 -10.440 2.546 -3.420 1.00 51.21 H new ATOM 0 HG3 LYS A 52 -10.275 3.573 -4.831 1.00 51.21 H new ATOM 0 HD2 LYS A 52 -9.570 1.651 -6.203 1.00 64.41 H new ATOM 0 HD3 LYS A 52 -9.580 0.604 -4.798 1.00 64.41 H new ATOM 0 HE2 LYS A 52 -12.004 0.978 -4.515 1.00 60.31 H new ATOM 0 HE3 LYS A 52 -12.007 2.067 -5.888 1.00 60.31 H new ATOM 0 HZ1 LYS A 52 -12.756 -0.128 -6.508 1.00 14.33 H new ATOM 0 HZ2 LYS A 52 -11.302 0.237 -7.306 1.00 14.33 H new ATOM 0 HZ3 LYS A 52 -11.299 -0.818 -5.975 1.00 14.33 H new ATOM 739 N ARG A 53 -7.014 5.533 -5.174 1.00 61.41 N ATOM 740 CA ARG A 53 -7.038 6.919 -5.576 1.00 3.41 C ATOM 741 C ARG A 53 -5.675 7.451 -5.261 1.00 1.34 C ATOM 742 O ARG A 53 -5.099 7.036 -4.260 1.00 14.12 O ATOM 743 CB ARG A 53 -8.118 7.726 -4.815 1.00 11.23 C ATOM 744 CG ARG A 53 -8.197 9.185 -5.259 1.00 40.43 C ATOM 745 CD ARG A 53 -9.227 9.990 -4.487 1.00 13.44 C ATOM 746 NE ARG A 53 -9.244 11.402 -4.925 1.00 42.23 N ATOM 747 CZ ARG A 53 -9.914 12.396 -4.320 1.00 20.44 C ATOM 748 NH1 ARG A 53 -10.679 12.148 -3.276 1.00 42.24 N ATOM 749 NH2 ARG A 53 -9.812 13.634 -4.772 1.00 51.32 N ATOM 0 H ARG A 53 -6.366 5.342 -4.410 1.00 61.41 H new ATOM 0 HA ARG A 53 -7.286 7.009 -6.634 1.00 3.41 H new ATOM 0 HB2 ARG A 53 -9.089 7.254 -4.964 1.00 11.23 H new ATOM 0 HB3 ARG A 53 -7.906 7.688 -3.746 1.00 11.23 H new ATOM 0 HG2 ARG A 53 -7.218 9.648 -5.138 1.00 40.43 H new ATOM 0 HG3 ARG A 53 -8.438 9.222 -6.321 1.00 40.43 H new ATOM 0 HD2 ARG A 53 -10.215 9.551 -4.628 1.00 13.44 H new ATOM 0 HD3 ARG A 53 -9.006 9.940 -3.421 1.00 13.44 H new ATOM 0 HE ARG A 53 -8.702 11.641 -5.755 1.00 42.23 H new ATOM 0 HH11 ARG A 53 -10.765 11.195 -2.922 1.00 42.24 H new ATOM 0 HH12 ARG A 53 -11.185 12.909 -2.822 1.00 42.24 H new ATOM 0 HH21 ARG A 53 -9.224 13.835 -5.581 1.00 51.32 H new ATOM 0 HH22 ARG A 53 -10.321 14.389 -4.312 1.00 51.32 H new ATOM 763 N GLY A 54 -5.146 8.303 -6.091 1.00 63.53 N ATOM 764 CA GLY A 54 -3.831 8.821 -5.877 1.00 70.13 C ATOM 765 C GLY A 54 -3.150 9.081 -7.181 1.00 51.22 C ATOM 766 O GLY A 54 -3.793 8.985 -8.224 1.00 55.04 O ATOM 0 H GLY A 54 -5.612 8.654 -6.928 1.00 63.53 H new ATOM 0 HA2 GLY A 54 -3.887 9.744 -5.300 1.00 70.13 H new ATOM 0 HA3 GLY A 54 -3.246 8.113 -5.290 1.00 70.13 H new ATOM 770 N PRO A 55 -1.851 9.397 -7.172 1.00 42.14 N ATOM 771 CA PRO A 55 -1.105 9.680 -8.398 1.00 22.14 C ATOM 772 C PRO A 55 -0.987 8.428 -9.265 1.00 51.43 C ATOM 773 O PRO A 55 -1.337 8.431 -10.440 1.00 43.12 O ATOM 774 CB PRO A 55 0.279 10.125 -7.889 1.00 44.34 C ATOM 775 CG PRO A 55 0.101 10.401 -6.431 1.00 22.33 C ATOM 776 CD PRO A 55 -1.007 9.510 -5.971 1.00 54.32 C ATOM 0 HA PRO A 55 -1.588 10.432 -9.022 1.00 22.14 H new ATOM 0 HB2 PRO A 55 1.025 9.348 -8.053 1.00 44.34 H new ATOM 0 HB3 PRO A 55 0.624 11.014 -8.417 1.00 44.34 H new ATOM 0 HG2 PRO A 55 1.019 10.196 -5.881 1.00 22.33 H new ATOM 0 HG3 PRO A 55 -0.146 11.449 -6.260 1.00 22.33 H new ATOM 0 HD2 PRO A 55 -0.636 8.539 -5.644 1.00 54.32 H new ATOM 0 HD3 PRO A 55 -1.552 9.942 -5.132 1.00 54.32 H new ATOM 784 N ASN A 56 -0.560 7.361 -8.639 1.00 21.34 N ATOM 785 CA ASN A 56 -0.375 6.047 -9.262 1.00 42.50 C ATOM 786 C ASN A 56 -1.626 5.167 -9.167 1.00 3.52 C ATOM 787 O ASN A 56 -1.537 3.937 -9.258 1.00 44.55 O ATOM 788 CB ASN A 56 0.860 5.319 -8.685 1.00 31.02 C ATOM 789 CG ASN A 56 1.061 5.518 -7.187 1.00 2.21 C ATOM 790 OD1 ASN A 56 0.125 5.768 -6.432 1.00 11.34 O ATOM 791 ND2 ASN A 56 2.283 5.414 -6.756 1.00 14.24 N ATOM 0 H ASN A 56 -0.320 7.369 -7.648 1.00 21.34 H new ATOM 0 HA ASN A 56 -0.198 6.231 -10.322 1.00 42.50 H new ATOM 0 HB2 ASN A 56 0.767 4.252 -8.889 1.00 31.02 H new ATOM 0 HB3 ASN A 56 1.750 5.667 -9.209 1.00 31.02 H new ATOM 0 HD21 ASN A 56 2.487 5.541 -5.765 1.00 14.24 H new ATOM 0 HD22 ASN A 56 3.038 5.205 -7.409 1.00 14.24 H new ATOM 798 N ALA A 57 -2.789 5.802 -9.030 1.00 44.24 N ATOM 799 CA ALA A 57 -4.072 5.101 -8.855 1.00 60.32 C ATOM 800 C ALA A 57 -4.333 4.060 -9.948 1.00 20.20 C ATOM 801 O ALA A 57 -4.157 4.320 -11.147 1.00 71.25 O ATOM 802 CB ALA A 57 -5.213 6.093 -8.807 1.00 14.52 C ATOM 0 H ALA A 57 -2.874 6.818 -9.036 1.00 44.24 H new ATOM 0 HA ALA A 57 -4.009 4.566 -7.908 1.00 60.32 H new ATOM 0 HB1 ALA A 57 -6.154 5.559 -8.677 1.00 14.52 H new ATOM 0 HB2 ALA A 57 -5.066 6.777 -7.971 1.00 14.52 H new ATOM 0 HB3 ALA A 57 -5.242 6.659 -9.738 1.00 14.52 H new ATOM 808 N GLY A 58 -4.716 2.879 -9.520 1.00 55.24 N ATOM 809 CA GLY A 58 -4.976 1.802 -10.431 1.00 1.44 C ATOM 810 C GLY A 58 -3.869 0.778 -10.422 1.00 74.12 C ATOM 811 O GLY A 58 -4.044 -0.334 -10.898 1.00 25.43 O ATOM 0 H GLY A 58 -4.854 2.645 -8.537 1.00 55.24 H new ATOM 0 HA2 GLY A 58 -5.917 1.321 -10.165 1.00 1.44 H new ATOM 0 HA3 GLY A 58 -5.094 2.200 -11.439 1.00 1.44 H new ATOM 815 N ALA A 59 -2.725 1.152 -9.904 1.00 44.31 N ATOM 816 CA ALA A 59 -1.600 0.240 -9.840 1.00 25.14 C ATOM 817 C ALA A 59 -1.614 -0.527 -8.532 1.00 75.44 C ATOM 818 O ALA A 59 -2.058 -0.001 -7.496 1.00 44.42 O ATOM 819 CB ALA A 59 -0.293 0.996 -9.990 1.00 52.23 C ATOM 0 H ALA A 59 -2.544 2.079 -9.520 1.00 44.31 H new ATOM 0 HA ALA A 59 -1.687 -0.470 -10.662 1.00 25.14 H new ATOM 0 HB1 ALA A 59 0.540 0.295 -9.939 1.00 52.23 H new ATOM 0 HB2 ALA A 59 -0.278 1.509 -10.951 1.00 52.23 H new ATOM 0 HB3 ALA A 59 -0.201 1.727 -9.187 1.00 52.23 H new ATOM 825 N ARG A 60 -1.163 -1.763 -8.571 1.00 13.32 N ATOM 826 CA ARG A 60 -1.047 -2.555 -7.373 1.00 20.13 C ATOM 827 C ARG A 60 0.400 -2.961 -7.191 1.00 64.50 C ATOM 828 O ARG A 60 1.068 -3.367 -8.144 1.00 51.24 O ATOM 829 CB ARG A 60 -1.983 -3.797 -7.376 1.00 40.15 C ATOM 830 CG ARG A 60 -1.699 -4.830 -8.466 1.00 72.01 C ATOM 831 CD ARG A 60 -2.587 -6.069 -8.322 1.00 41.13 C ATOM 832 NE ARG A 60 -2.281 -7.075 -9.350 1.00 14.43 N ATOM 833 CZ ARG A 60 -2.541 -8.397 -9.278 1.00 31.12 C ATOM 834 NH1 ARG A 60 -3.205 -8.905 -8.242 1.00 60.12 N ATOM 835 NH2 ARG A 60 -2.171 -9.193 -10.270 1.00 1.44 N ATOM 0 H ARG A 60 -0.871 -2.239 -9.424 1.00 13.32 H new ATOM 0 HA ARG A 60 -1.370 -1.944 -6.530 1.00 20.13 H new ATOM 0 HB2 ARG A 60 -1.910 -4.288 -6.406 1.00 40.15 H new ATOM 0 HB3 ARG A 60 -3.012 -3.455 -7.483 1.00 40.15 H new ATOM 0 HG2 ARG A 60 -1.861 -4.379 -9.445 1.00 72.01 H new ATOM 0 HG3 ARG A 60 -0.651 -5.127 -8.421 1.00 72.01 H new ATOM 0 HD2 ARG A 60 -2.448 -6.505 -7.333 1.00 41.13 H new ATOM 0 HD3 ARG A 60 -3.635 -5.778 -8.397 1.00 41.13 H new ATOM 0 HE ARG A 60 -1.828 -6.741 -10.201 1.00 14.43 H new ATOM 0 HH11 ARG A 60 -3.524 -8.293 -7.491 1.00 60.12 H new ATOM 0 HH12 ARG A 60 -3.395 -9.906 -8.200 1.00 60.12 H new ATOM 0 HH21 ARG A 60 -1.692 -8.806 -11.083 1.00 1.44 H new ATOM 0 HH22 ARG A 60 -2.365 -10.193 -10.221 1.00 1.44 H new ATOM 849 N PHE A 61 0.881 -2.840 -5.997 1.00 54.52 N ATOM 850 CA PHE A 61 2.252 -3.168 -5.682 1.00 14.10 C ATOM 851 C PHE A 61 2.237 -4.295 -4.675 1.00 70.13 C ATOM 852 O PHE A 61 1.378 -4.310 -3.799 1.00 15.43 O ATOM 853 CB PHE A 61 2.970 -1.950 -5.081 1.00 1.34 C ATOM 854 CG PHE A 61 2.972 -0.710 -5.945 1.00 24.31 C ATOM 855 CD1 PHE A 61 3.967 -0.502 -6.885 1.00 75.22 C ATOM 856 CD2 PHE A 61 1.979 0.251 -5.804 1.00 0.34 C ATOM 857 CE1 PHE A 61 3.973 0.636 -7.668 1.00 35.55 C ATOM 858 CE2 PHE A 61 1.983 1.390 -6.584 1.00 1.11 C ATOM 859 CZ PHE A 61 2.979 1.582 -7.516 1.00 42.12 C ATOM 0 H PHE A 61 0.338 -2.509 -5.200 1.00 54.52 H new ATOM 0 HA PHE A 61 2.782 -3.464 -6.587 1.00 14.10 H new ATOM 0 HB2 PHE A 61 2.502 -1.707 -4.127 1.00 1.34 H new ATOM 0 HB3 PHE A 61 4.003 -2.226 -4.868 1.00 1.34 H new ATOM 0 HD1 PHE A 61 4.748 -1.238 -7.008 1.00 75.22 H new ATOM 0 HD2 PHE A 61 1.195 0.105 -5.076 1.00 0.34 H new ATOM 0 HE1 PHE A 61 4.754 0.786 -8.398 1.00 35.55 H new ATOM 0 HE2 PHE A 61 1.206 2.130 -6.464 1.00 1.11 H new ATOM 0 HZ PHE A 61 2.982 2.472 -8.128 1.00 42.12 H new ATOM 869 N LEU A 62 3.138 -5.237 -4.795 1.00 61.44 N ATOM 870 CA LEU A 62 3.155 -6.358 -3.867 1.00 21.13 C ATOM 871 C LEU A 62 4.361 -6.307 -2.955 1.00 64.34 C ATOM 872 O LEU A 62 5.465 -5.939 -3.376 1.00 43.12 O ATOM 873 CB LEU A 62 3.029 -7.756 -4.554 1.00 12.11 C ATOM 874 CG LEU A 62 4.146 -8.224 -5.519 1.00 32.14 C ATOM 875 CD1 LEU A 62 4.001 -9.713 -5.785 1.00 44.11 C ATOM 876 CD2 LEU A 62 4.082 -7.484 -6.850 1.00 11.01 C ATOM 0 H LEU A 62 3.863 -5.259 -5.512 1.00 61.44 H new ATOM 0 HA LEU A 62 2.256 -6.242 -3.262 1.00 21.13 H new ATOM 0 HB2 LEU A 62 2.942 -8.503 -3.765 1.00 12.11 H new ATOM 0 HB3 LEU A 62 2.090 -7.767 -5.108 1.00 12.11 H new ATOM 0 HG LEU A 62 5.104 -8.010 -5.045 1.00 32.14 H new ATOM 0 HD11 LEU A 62 4.788 -10.040 -6.464 1.00 44.11 H new ATOM 0 HD12 LEU A 62 4.082 -10.260 -4.846 1.00 44.11 H new ATOM 0 HD13 LEU A 62 3.028 -9.909 -6.236 1.00 44.11 H new ATOM 0 HD21 LEU A 62 4.881 -7.838 -7.502 1.00 11.01 H new ATOM 0 HD22 LEU A 62 3.118 -7.670 -7.323 1.00 11.01 H new ATOM 0 HD23 LEU A 62 4.202 -6.414 -6.678 1.00 11.01 H new ATOM 888 N LEU A 63 4.156 -6.656 -1.715 1.00 41.30 N ATOM 889 CA LEU A 63 5.213 -6.659 -0.740 1.00 52.22 C ATOM 890 C LEU A 63 5.847 -8.031 -0.731 1.00 2.24 C ATOM 891 O LEU A 63 5.259 -8.995 -0.241 1.00 1.32 O ATOM 892 CB LEU A 63 4.695 -6.315 0.686 1.00 31.23 C ATOM 893 CG LEU A 63 4.044 -4.926 0.919 1.00 64.51 C ATOM 894 CD1 LEU A 63 2.680 -4.804 0.260 1.00 70.31 C ATOM 895 CD2 LEU A 63 3.937 -4.629 2.401 1.00 73.24 C ATOM 0 H LEU A 63 3.249 -6.947 -1.350 1.00 41.30 H new ATOM 0 HA LEU A 63 5.939 -5.893 -1.014 1.00 52.22 H new ATOM 0 HB2 LEU A 63 3.966 -7.075 0.967 1.00 31.23 H new ATOM 0 HB3 LEU A 63 5.534 -6.408 1.376 1.00 31.23 H new ATOM 0 HG LEU A 63 4.697 -4.190 0.450 1.00 64.51 H new ATOM 0 HD11 LEU A 63 2.269 -3.813 0.454 1.00 70.31 H new ATOM 0 HD12 LEU A 63 2.781 -4.951 -0.815 1.00 70.31 H new ATOM 0 HD13 LEU A 63 2.010 -5.561 0.668 1.00 70.31 H new ATOM 0 HD21 LEU A 63 3.478 -3.651 2.544 1.00 73.24 H new ATOM 0 HD22 LEU A 63 3.324 -5.391 2.881 1.00 73.24 H new ATOM 0 HD23 LEU A 63 4.932 -4.631 2.845 1.00 73.24 H new ATOM 907 N ASP A 64 7.009 -8.132 -1.312 1.00 14.52 N ATOM 908 CA ASP A 64 7.716 -9.408 -1.385 1.00 51.40 C ATOM 909 C ASP A 64 8.974 -9.352 -0.518 1.00 72.23 C ATOM 910 O ASP A 64 9.650 -10.349 -0.290 1.00 1.52 O ATOM 911 CB ASP A 64 8.062 -9.726 -2.860 1.00 2.30 C ATOM 912 CG ASP A 64 8.792 -11.043 -3.053 1.00 41.54 C ATOM 913 OD1 ASP A 64 8.134 -12.101 -3.195 1.00 13.14 O ATOM 914 OD2 ASP A 64 10.040 -11.044 -3.084 1.00 14.32 O ATOM 0 H ASP A 64 7.500 -7.351 -1.748 1.00 14.52 H new ATOM 0 HA ASP A 64 7.079 -10.207 -1.005 1.00 51.40 H new ATOM 0 HB2 ASP A 64 7.141 -9.744 -3.443 1.00 2.30 H new ATOM 0 HB3 ASP A 64 8.677 -8.920 -3.260 1.00 2.30 H new ATOM 919 N GLN A 65 9.228 -8.197 0.020 1.00 34.23 N ATOM 920 CA GLN A 65 10.413 -7.964 0.808 1.00 2.53 C ATOM 921 C GLN A 65 10.035 -7.813 2.272 1.00 52.03 C ATOM 922 O GLN A 65 8.932 -7.374 2.571 1.00 70.41 O ATOM 923 CB GLN A 65 11.216 -6.727 0.318 1.00 23.42 C ATOM 924 CG GLN A 65 10.448 -5.405 0.273 1.00 34.15 C ATOM 925 CD GLN A 65 9.474 -5.295 -0.885 1.00 42.22 C ATOM 926 OE1 GLN A 65 9.685 -5.862 -1.951 1.00 44.01 O ATOM 927 NE2 GLN A 65 8.394 -4.617 -0.677 1.00 1.32 N ATOM 0 H GLN A 65 8.620 -7.383 -0.072 1.00 34.23 H new ATOM 0 HA GLN A 65 11.066 -8.829 0.688 1.00 2.53 H new ATOM 0 HB2 GLN A 65 12.082 -6.600 0.968 1.00 23.42 H new ATOM 0 HB3 GLN A 65 11.596 -6.938 -0.682 1.00 23.42 H new ATOM 0 HG2 GLN A 65 9.900 -5.283 1.208 1.00 34.15 H new ATOM 0 HG3 GLN A 65 11.162 -4.584 0.213 1.00 34.15 H new ATOM 0 HE21 GLN A 65 8.246 -4.156 0.221 1.00 1.32 H new ATOM 0 HE22 GLN A 65 7.689 -4.543 -1.411 1.00 1.32 H new ATOM 936 N PRO A 66 10.947 -8.162 3.208 1.00 41.02 N ATOM 937 CA PRO A 66 10.675 -8.103 4.659 1.00 24.43 C ATOM 938 C PRO A 66 10.438 -6.681 5.192 1.00 53.12 C ATOM 939 O PRO A 66 9.910 -6.494 6.292 1.00 34.01 O ATOM 940 CB PRO A 66 11.950 -8.685 5.293 1.00 64.24 C ATOM 941 CG PRO A 66 12.617 -9.434 4.197 1.00 41.10 C ATOM 942 CD PRO A 66 12.304 -8.683 2.946 1.00 31.40 C ATOM 0 HA PRO A 66 9.759 -8.644 4.897 1.00 24.43 H new ATOM 0 HB2 PRO A 66 12.594 -7.895 5.680 1.00 64.24 H new ATOM 0 HB3 PRO A 66 11.711 -9.341 6.130 1.00 64.24 H new ATOM 0 HG2 PRO A 66 13.693 -9.491 4.360 1.00 41.10 H new ATOM 0 HG3 PRO A 66 12.248 -10.458 4.142 1.00 41.10 H new ATOM 0 HD2 PRO A 66 13.018 -7.879 2.767 1.00 31.40 H new ATOM 0 HD3 PRO A 66 12.326 -9.330 2.069 1.00 31.40 H new ATOM 950 N THR A 67 10.844 -5.685 4.449 1.00 11.24 N ATOM 951 CA THR A 67 10.664 -4.320 4.869 1.00 61.34 C ATOM 952 C THR A 67 10.361 -3.447 3.652 1.00 55.25 C ATOM 953 O THR A 67 11.139 -3.402 2.701 1.00 64.15 O ATOM 954 CB THR A 67 11.931 -3.803 5.588 1.00 2.13 C ATOM 955 OG1 THR A 67 12.295 -4.729 6.639 1.00 10.41 O ATOM 956 CG2 THR A 67 11.673 -2.431 6.196 1.00 53.23 C ATOM 0 H THR A 67 11.304 -5.795 3.545 1.00 11.24 H new ATOM 0 HA THR A 67 9.828 -4.272 5.567 1.00 61.34 H new ATOM 0 HB THR A 67 12.741 -3.723 4.863 1.00 2.13 H new ATOM 0 HG1 THR A 67 13.099 -4.405 7.096 1.00 10.41 H new ATOM 0 HG21 THR A 67 12.574 -2.080 6.699 1.00 53.23 H new ATOM 0 HG22 THR A 67 11.401 -1.729 5.408 1.00 53.23 H new ATOM 0 HG23 THR A 67 10.859 -2.500 6.917 1.00 53.23 H new ATOM 964 N THR A 68 9.244 -2.780 3.685 1.00 71.40 N ATOM 965 CA THR A 68 8.809 -1.958 2.593 1.00 2.24 C ATOM 966 C THR A 68 8.612 -0.517 3.089 1.00 3.40 C ATOM 967 O THR A 68 7.752 -0.266 3.909 1.00 25.30 O ATOM 968 CB THR A 68 7.465 -2.507 2.082 1.00 71.14 C ATOM 969 OG1 THR A 68 7.583 -3.929 1.878 1.00 3.33 O ATOM 970 CG2 THR A 68 7.074 -1.859 0.777 1.00 53.51 C ATOM 0 H THR A 68 8.603 -2.791 4.478 1.00 71.40 H new ATOM 0 HA THR A 68 9.551 -1.966 1.794 1.00 2.24 H new ATOM 0 HB THR A 68 6.699 -2.286 2.825 1.00 71.14 H new ATOM 0 HG1 THR A 68 6.729 -4.285 1.554 1.00 3.33 H new ATOM 0 HG21 THR A 68 6.121 -2.266 0.440 1.00 53.51 H new ATOM 0 HG22 THR A 68 6.979 -0.783 0.919 1.00 53.51 H new ATOM 0 HG23 THR A 68 7.840 -2.060 0.027 1.00 53.51 H new ATOM 978 N THR A 69 9.400 0.403 2.613 1.00 12.21 N ATOM 979 CA THR A 69 9.288 1.781 3.051 1.00 31.51 C ATOM 980 C THR A 69 8.407 2.579 2.063 1.00 40.11 C ATOM 981 O THR A 69 8.532 2.407 0.836 1.00 72.31 O ATOM 982 CB THR A 69 10.695 2.407 3.158 1.00 64.04 C ATOM 983 OG1 THR A 69 11.529 1.549 3.968 1.00 70.34 O ATOM 984 CG2 THR A 69 10.636 3.793 3.797 1.00 14.51 C ATOM 0 H THR A 69 10.130 0.233 1.921 1.00 12.21 H new ATOM 0 HA THR A 69 8.816 1.813 4.033 1.00 31.51 H new ATOM 0 HB THR A 69 11.107 2.508 2.154 1.00 64.04 H new ATOM 0 HG1 THR A 69 12.426 1.938 4.040 1.00 70.34 H new ATOM 0 HG21 THR A 69 11.642 4.208 3.859 1.00 14.51 H new ATOM 0 HG22 THR A 69 10.010 4.447 3.190 1.00 14.51 H new ATOM 0 HG23 THR A 69 10.214 3.714 4.799 1.00 14.51 H new ATOM 992 N ALA A 70 7.515 3.417 2.593 1.00 3.45 N ATOM 993 CA ALA A 70 6.619 4.213 1.779 1.00 73.25 C ATOM 994 C ALA A 70 6.801 5.708 2.054 1.00 2.55 C ATOM 995 O ALA A 70 6.904 6.150 3.230 1.00 41.51 O ATOM 996 CB ALA A 70 5.174 3.801 2.017 1.00 11.24 C ATOM 0 H ALA A 70 7.400 3.557 3.597 1.00 3.45 H new ATOM 0 HA ALA A 70 6.867 4.031 0.733 1.00 73.25 H new ATOM 0 HB1 ALA A 70 4.515 4.410 1.397 1.00 11.24 H new ATOM 0 HB2 ALA A 70 5.048 2.750 1.757 1.00 11.24 H new ATOM 0 HB3 ALA A 70 4.922 3.948 3.067 1.00 11.24 H new ATOM 1002 N GLY A 71 6.847 6.463 0.980 1.00 60.23 N ATOM 1003 CA GLY A 71 7.025 7.893 1.040 1.00 15.51 C ATOM 1004 C GLY A 71 8.062 8.302 0.030 1.00 15.42 C ATOM 1005 O GLY A 71 8.364 7.517 -0.896 1.00 11.14 O ATOM 0 H GLY A 71 6.761 6.097 0.032 1.00 60.23 H new ATOM 0 HA2 GLY A 71 6.081 8.398 0.836 1.00 15.51 H new ATOM 0 HA3 GLY A 71 7.336 8.192 2.041 1.00 15.51 H new ATOM 1009 N ARG A 72 8.624 9.477 0.171 1.00 60.14 N ATOM 1010 CA ARG A 72 9.670 9.885 -0.722 1.00 63.12 C ATOM 1011 C ARG A 72 10.969 9.517 -0.045 1.00 23.21 C ATOM 1012 O ARG A 72 11.307 10.039 1.009 1.00 53.34 O ATOM 1013 CB ARG A 72 9.601 11.419 -1.016 1.00 41.14 C ATOM 1014 CG ARG A 72 10.495 11.926 -2.182 1.00 52.04 C ATOM 1015 CD ARG A 72 12.005 11.917 -1.881 1.00 31.41 C ATOM 1016 NE ARG A 72 12.428 13.006 -0.981 1.00 15.54 N ATOM 1017 CZ ARG A 72 13.566 13.024 -0.267 1.00 22.14 C ATOM 1018 NH1 ARG A 72 14.328 11.931 -0.198 1.00 21.51 N ATOM 1019 NH2 ARG A 72 13.926 14.134 0.395 1.00 60.14 N ATOM 0 H ARG A 72 8.376 10.158 0.888 1.00 60.14 H new ATOM 0 HA ARG A 72 9.575 9.389 -1.688 1.00 63.12 H new ATOM 0 HB2 ARG A 72 8.566 11.681 -1.236 1.00 41.14 H new ATOM 0 HB3 ARG A 72 9.880 11.956 -0.110 1.00 41.14 H new ATOM 0 HG2 ARG A 72 10.309 11.308 -3.060 1.00 52.04 H new ATOM 0 HG3 ARG A 72 10.195 12.942 -2.438 1.00 52.04 H new ATOM 0 HD2 ARG A 72 12.273 10.960 -1.433 1.00 31.41 H new ATOM 0 HD3 ARG A 72 12.556 11.996 -2.818 1.00 31.41 H new ATOM 0 HE ARG A 72 11.807 13.810 -0.894 1.00 15.54 H new ATOM 0 HH11 ARG A 72 14.047 11.081 -0.687 1.00 21.51 H new ATOM 0 HH12 ARG A 72 15.192 11.945 0.344 1.00 21.51 H new ATOM 0 HH21 ARG A 72 13.336 14.965 0.356 1.00 60.14 H new ATOM 0 HH22 ARG A 72 14.790 14.147 0.937 1.00 60.14 H new ATOM 1033 N HIS A 73 11.697 8.678 -0.678 1.00 63.32 N ATOM 1034 CA HIS A 73 12.894 8.144 -0.184 1.00 2.12 C ATOM 1035 C HIS A 73 13.523 7.508 -1.388 1.00 41.11 C ATOM 1036 O HIS A 73 12.803 6.946 -2.195 1.00 33.21 O ATOM 1037 CB HIS A 73 12.543 7.065 0.865 1.00 55.11 C ATOM 1038 CG HIS A 73 13.697 6.501 1.590 1.00 60.23 C ATOM 1039 ND1 HIS A 73 14.697 7.137 2.170 1.00 51.12 N flip ATOM 1040 CD2 HIS A 73 13.904 5.159 1.817 1.00 61.11 C flip ATOM 1041 CE1 HIS A 73 15.549 6.222 2.773 1.00 74.21 C flip ATOM 1042 NE2 HIS A 73 15.024 5.039 2.532 1.00 44.13 N flip ATOM 0 H HIS A 73 11.455 8.330 -1.606 1.00 63.32 H new ATOM 0 HA HIS A 73 13.549 8.877 0.287 1.00 2.12 H new ATOM 0 HB2 HIS A 73 11.853 7.496 1.590 1.00 55.11 H new ATOM 0 HB3 HIS A 73 12.015 6.253 0.366 1.00 55.11 H new ATOM 0 HD2 HIS A 73 13.274 4.350 1.478 1.00 61.11 H new ATOM 0 HE1 HIS A 73 16.453 6.436 3.324 1.00 74.21 H new ATOM 0 HE2 HIS A 73 15.419 4.153 2.848 1.00 44.13 H new ATOM 1050 N PRO A 74 14.828 7.611 -1.590 1.00 60.23 N ATOM 1051 CA PRO A 74 15.464 6.983 -2.742 1.00 40.01 C ATOM 1052 C PRO A 74 15.303 5.466 -2.718 1.00 24.03 C ATOM 1053 O PRO A 74 15.204 4.811 -3.765 1.00 61.33 O ATOM 1054 CB PRO A 74 16.941 7.385 -2.621 1.00 74.01 C ATOM 1055 CG PRO A 74 17.112 7.811 -1.201 1.00 61.24 C ATOM 1056 CD PRO A 74 15.793 8.374 -0.776 1.00 14.20 C ATOM 0 HA PRO A 74 15.017 7.304 -3.683 1.00 40.01 H new ATOM 0 HB2 PRO A 74 17.598 6.550 -2.864 1.00 74.01 H new ATOM 0 HB3 PRO A 74 17.187 8.195 -3.308 1.00 74.01 H new ATOM 0 HG2 PRO A 74 17.396 6.967 -0.572 1.00 61.24 H new ATOM 0 HG3 PRO A 74 17.902 8.557 -1.110 1.00 61.24 H new ATOM 0 HD2 PRO A 74 15.620 8.235 0.291 1.00 14.20 H new ATOM 0 HD3 PRO A 74 15.729 9.444 -0.972 1.00 14.20 H new ATOM 1064 N GLU A 75 15.216 4.930 -1.525 1.00 51.14 N ATOM 1065 CA GLU A 75 15.125 3.514 -1.346 1.00 24.11 C ATOM 1066 C GLU A 75 13.699 3.087 -0.965 1.00 63.01 C ATOM 1067 O GLU A 75 13.509 1.993 -0.452 1.00 0.35 O ATOM 1068 CB GLU A 75 16.108 3.058 -0.260 1.00 61.30 C ATOM 1069 CG GLU A 75 17.549 3.506 -0.480 1.00 32.32 C ATOM 1070 CD GLU A 75 18.089 3.133 -1.842 1.00 0.34 C ATOM 1071 OE1 GLU A 75 18.330 1.946 -2.097 1.00 43.52 O ATOM 1072 OE2 GLU A 75 18.314 4.034 -2.670 1.00 32.02 O ATOM 0 H GLU A 75 15.207 5.467 -0.658 1.00 51.14 H new ATOM 0 HA GLU A 75 15.380 3.040 -2.294 1.00 24.11 H new ATOM 0 HB2 GLU A 75 15.766 3.437 0.703 1.00 61.30 H new ATOM 0 HB3 GLU A 75 16.085 1.970 -0.201 1.00 61.30 H new ATOM 0 HG2 GLU A 75 17.609 4.587 -0.357 1.00 32.32 H new ATOM 0 HG3 GLU A 75 18.182 3.062 0.288 1.00 32.32 H new ATOM 1079 N SER A 76 12.693 3.937 -1.196 1.00 24.54 N ATOM 1080 CA SER A 76 11.331 3.518 -0.866 1.00 14.54 C ATOM 1081 C SER A 76 10.790 2.583 -1.924 1.00 2.32 C ATOM 1082 O SER A 76 10.877 2.865 -3.121 1.00 1.44 O ATOM 1083 CB SER A 76 10.356 4.692 -0.588 1.00 60.22 C ATOM 1084 OG SER A 76 10.383 5.686 -1.596 1.00 22.52 O ATOM 0 H SER A 76 12.787 4.873 -1.590 1.00 24.54 H new ATOM 0 HA SER A 76 11.401 2.980 0.079 1.00 14.54 H new ATOM 0 HB2 SER A 76 9.342 4.301 -0.498 1.00 60.22 H new ATOM 0 HB3 SER A 76 10.608 5.147 0.370 1.00 60.22 H new ATOM 0 HG SER A 76 9.696 6.359 -1.410 1.00 22.52 H new ATOM 1090 N ASP A 77 10.286 1.455 -1.490 1.00 55.44 N ATOM 1091 CA ASP A 77 9.741 0.474 -2.401 1.00 12.34 C ATOM 1092 C ASP A 77 8.365 0.927 -2.854 1.00 30.31 C ATOM 1093 O ASP A 77 7.932 0.652 -3.967 1.00 42.10 O ATOM 1094 CB ASP A 77 9.673 -0.899 -1.743 1.00 34.11 C ATOM 1095 CG ASP A 77 9.500 -2.006 -2.755 1.00 22.34 C ATOM 1096 OD1 ASP A 77 10.489 -2.314 -3.465 1.00 20.25 O ATOM 1097 OD2 ASP A 77 8.405 -2.595 -2.870 1.00 70.50 O ATOM 0 H ASP A 77 10.241 1.190 -0.506 1.00 55.44 H new ATOM 0 HA ASP A 77 10.394 0.387 -3.269 1.00 12.34 H new ATOM 0 HB2 ASP A 77 10.584 -1.071 -1.170 1.00 34.11 H new ATOM 0 HB3 ASP A 77 8.843 -0.921 -1.037 1.00 34.11 H new ATOM 1102 N ILE A 78 7.685 1.651 -1.985 1.00 4.20 N ATOM 1103 CA ILE A 78 6.401 2.208 -2.318 1.00 0.13 C ATOM 1104 C ILE A 78 6.550 3.714 -2.464 1.00 72.03 C ATOM 1105 O ILE A 78 6.635 4.454 -1.464 1.00 5.23 O ATOM 1106 CB ILE A 78 5.304 1.881 -1.253 1.00 53.33 C ATOM 1107 CG1 ILE A 78 5.145 0.366 -1.073 1.00 13.44 C ATOM 1108 CG2 ILE A 78 3.962 2.509 -1.630 1.00 63.32 C ATOM 1109 CD1 ILE A 78 4.738 -0.377 -2.329 1.00 3.41 C ATOM 0 H ILE A 78 8.008 1.864 -1.041 1.00 4.20 H new ATOM 0 HA ILE A 78 6.070 1.756 -3.253 1.00 0.13 H new ATOM 0 HB ILE A 78 5.631 2.311 -0.306 1.00 53.33 H new ATOM 0 HG12 ILE A 78 6.088 -0.045 -0.712 1.00 13.44 H new ATOM 0 HG13 ILE A 78 4.400 0.181 -0.299 1.00 13.44 H new ATOM 0 HG21 ILE A 78 3.219 2.264 -0.871 1.00 63.32 H new ATOM 0 HG22 ILE A 78 4.072 3.592 -1.694 1.00 63.32 H new ATOM 0 HG23 ILE A 78 3.636 2.120 -2.595 1.00 63.32 H new ATOM 0 HD11 ILE A 78 4.649 -1.441 -2.110 1.00 3.41 H new ATOM 0 HD12 ILE A 78 3.779 0.002 -2.681 1.00 3.41 H new ATOM 0 HD13 ILE A 78 5.493 -0.228 -3.101 1.00 3.41 H new ATOM 1121 N PHE A 79 6.655 4.161 -3.690 1.00 25.12 N ATOM 1122 CA PHE A 79 6.775 5.566 -3.957 1.00 72.32 C ATOM 1123 C PHE A 79 5.403 6.165 -4.195 1.00 52.50 C ATOM 1124 O PHE A 79 4.678 5.746 -5.103 1.00 13.41 O ATOM 1125 CB PHE A 79 7.697 5.833 -5.154 1.00 23.15 C ATOM 1126 CG PHE A 79 7.873 7.299 -5.447 1.00 14.55 C ATOM 1127 CD1 PHE A 79 8.709 8.073 -4.667 1.00 53.03 C ATOM 1128 CD2 PHE A 79 7.185 7.904 -6.489 1.00 23.11 C ATOM 1129 CE1 PHE A 79 8.861 9.418 -4.917 1.00 23.35 C ATOM 1130 CE2 PHE A 79 7.332 9.250 -6.739 1.00 40.51 C ATOM 1131 CZ PHE A 79 8.172 10.008 -5.952 1.00 1.12 C ATOM 0 H PHE A 79 6.659 3.567 -4.519 1.00 25.12 H new ATOM 0 HA PHE A 79 7.225 6.041 -3.085 1.00 72.32 H new ATOM 0 HB2 PHE A 79 8.673 5.387 -4.960 1.00 23.15 H new ATOM 0 HB3 PHE A 79 7.290 5.338 -6.036 1.00 23.15 H new ATOM 0 HD1 PHE A 79 9.250 7.618 -3.851 1.00 53.03 H new ATOM 0 HD2 PHE A 79 6.528 7.313 -7.110 1.00 23.11 H new ATOM 0 HE1 PHE A 79 9.521 10.010 -4.301 1.00 23.35 H new ATOM 0 HE2 PHE A 79 6.790 9.711 -7.551 1.00 40.51 H new ATOM 0 HZ PHE A 79 8.289 11.064 -6.147 1.00 1.12 H new ATOM 1141 N LEU A 80 5.051 7.112 -3.377 1.00 21.22 N ATOM 1142 CA LEU A 80 3.785 7.810 -3.464 1.00 54.20 C ATOM 1143 C LEU A 80 4.101 9.285 -3.486 1.00 62.34 C ATOM 1144 O LEU A 80 5.030 9.712 -2.799 1.00 24.22 O ATOM 1145 CB LEU A 80 2.931 7.498 -2.220 1.00 44.34 C ATOM 1146 CG LEU A 80 2.604 6.020 -1.957 1.00 61.31 C ATOM 1147 CD1 LEU A 80 1.890 5.853 -0.627 1.00 21.03 C ATOM 1148 CD2 LEU A 80 1.760 5.438 -3.083 1.00 1.03 C ATOM 0 H LEU A 80 5.643 7.434 -2.611 1.00 21.22 H new ATOM 0 HA LEU A 80 3.233 7.504 -4.353 1.00 54.20 H new ATOM 0 HB2 LEU A 80 3.448 7.892 -1.345 1.00 44.34 H new ATOM 0 HB3 LEU A 80 1.991 8.043 -2.307 1.00 44.34 H new ATOM 0 HG LEU A 80 3.547 5.474 -1.916 1.00 61.31 H new ATOM 0 HD11 LEU A 80 1.669 4.798 -0.463 1.00 21.03 H new ATOM 0 HD12 LEU A 80 2.528 6.219 0.177 1.00 21.03 H new ATOM 0 HD13 LEU A 80 0.960 6.421 -0.640 1.00 21.03 H new ATOM 0 HD21 LEU A 80 1.543 4.391 -2.871 1.00 1.03 H new ATOM 0 HD22 LEU A 80 0.825 5.993 -3.162 1.00 1.03 H new ATOM 0 HD23 LEU A 80 2.306 5.512 -4.023 1.00 1.03 H new ATOM 1160 N ASP A 81 3.403 10.052 -4.287 1.00 23.01 N ATOM 1161 CA ASP A 81 3.632 11.487 -4.294 1.00 52.42 C ATOM 1162 C ASP A 81 2.778 12.116 -3.236 1.00 2.40 C ATOM 1163 O ASP A 81 1.548 12.098 -3.330 1.00 74.14 O ATOM 1164 CB ASP A 81 3.318 12.137 -5.659 1.00 11.33 C ATOM 1165 CG ASP A 81 4.288 11.765 -6.753 1.00 54.33 C ATOM 1166 OD1 ASP A 81 5.363 12.398 -6.845 1.00 70.21 O ATOM 1167 OD2 ASP A 81 3.987 10.845 -7.559 1.00 11.10 O ATOM 0 H ASP A 81 2.685 9.722 -4.932 1.00 23.01 H new ATOM 0 HA ASP A 81 4.691 11.654 -4.097 1.00 52.42 H new ATOM 0 HB2 ASP A 81 2.313 11.848 -5.965 1.00 11.33 H new ATOM 0 HB3 ASP A 81 3.316 13.221 -5.542 1.00 11.33 H new ATOM 1172 N ASP A 82 3.419 12.700 -2.267 1.00 40.34 N ATOM 1173 CA ASP A 82 2.743 13.324 -1.134 1.00 4.05 C ATOM 1174 C ASP A 82 2.403 14.769 -1.519 1.00 3.01 C ATOM 1175 O ASP A 82 2.735 15.218 -2.638 1.00 53.41 O ATOM 1176 CB ASP A 82 3.694 13.279 0.094 1.00 11.42 C ATOM 1177 CG ASP A 82 3.071 13.644 1.452 1.00 73.23 C ATOM 1178 OD1 ASP A 82 2.732 14.835 1.681 1.00 55.13 O ATOM 1179 OD2 ASP A 82 2.974 12.751 2.305 1.00 44.35 O ATOM 0 H ASP A 82 4.436 12.765 -2.227 1.00 40.34 H new ATOM 0 HA ASP A 82 1.822 12.800 -0.878 1.00 4.05 H new ATOM 0 HB2 ASP A 82 4.110 12.274 0.168 1.00 11.42 H new ATOM 0 HB3 ASP A 82 4.527 13.956 -0.093 1.00 11.42 H new ATOM 1184 N VAL A 83 1.768 15.483 -0.638 1.00 44.11 N ATOM 1185 CA VAL A 83 1.414 16.856 -0.857 1.00 40.41 C ATOM 1186 C VAL A 83 2.651 17.695 -0.513 1.00 71.32 C ATOM 1187 O VAL A 83 2.956 18.719 -1.159 1.00 62.22 O ATOM 1188 CB VAL A 83 0.214 17.269 0.038 1.00 33.01 C ATOM 1189 CG1 VAL A 83 -0.270 18.667 -0.299 1.00 71.41 C ATOM 1190 CG2 VAL A 83 -0.925 16.261 -0.072 1.00 72.24 C ATOM 0 H VAL A 83 1.476 15.122 0.270 1.00 44.11 H new ATOM 0 HA VAL A 83 1.109 17.012 -1.892 1.00 40.41 H new ATOM 0 HB VAL A 83 0.562 17.276 1.071 1.00 33.01 H new ATOM 0 HG11 VAL A 83 -1.110 18.926 0.345 1.00 71.41 H new ATOM 0 HG12 VAL A 83 0.540 19.380 -0.143 1.00 71.41 H new ATOM 0 HG13 VAL A 83 -0.588 18.701 -1.341 1.00 71.41 H new ATOM 0 HG21 VAL A 83 -1.752 16.575 0.565 1.00 72.24 H new ATOM 0 HG22 VAL A 83 -1.264 16.207 -1.106 1.00 72.24 H new ATOM 0 HG23 VAL A 83 -0.574 15.279 0.247 1.00 72.24 H new ATOM 1200 N THR A 84 3.379 17.221 0.467 1.00 23.01 N ATOM 1201 CA THR A 84 4.631 17.788 0.866 1.00 14.12 C ATOM 1202 C THR A 84 5.673 16.701 0.539 1.00 75.35 C ATOM 1203 O THR A 84 5.369 15.785 -0.220 1.00 50.25 O ATOM 1204 CB THR A 84 4.618 18.150 2.406 1.00 73.12 C ATOM 1205 OG1 THR A 84 5.727 19.012 2.753 1.00 1.11 O ATOM 1206 CG2 THR A 84 4.675 16.901 3.292 1.00 42.03 C ATOM 0 H THR A 84 3.105 16.409 1.020 1.00 23.01 H new ATOM 0 HA THR A 84 4.852 18.722 0.350 1.00 14.12 H new ATOM 0 HB THR A 84 3.677 18.669 2.586 1.00 73.12 H new ATOM 0 HG1 THR A 84 5.692 19.220 3.710 1.00 1.11 H new ATOM 0 HG21 THR A 84 4.664 17.198 4.341 1.00 42.03 H new ATOM 0 HG22 THR A 84 3.812 16.268 3.085 1.00 42.03 H new ATOM 0 HG23 THR A 84 5.590 16.347 3.081 1.00 42.03 H new ATOM 1214 N VAL A 85 6.877 16.810 1.007 1.00 61.15 N ATOM 1215 CA VAL A 85 7.792 15.732 0.800 1.00 0.04 C ATOM 1216 C VAL A 85 7.961 14.941 2.088 1.00 10.12 C ATOM 1217 O VAL A 85 8.628 15.383 3.032 1.00 60.14 O ATOM 1218 CB VAL A 85 9.155 16.173 0.225 1.00 21.14 C ATOM 1219 CG1 VAL A 85 10.037 14.963 0.013 1.00 55.31 C ATOM 1220 CG2 VAL A 85 8.963 16.885 -1.096 1.00 35.12 C ATOM 0 H VAL A 85 7.243 17.611 1.521 1.00 61.15 H new ATOM 0 HA VAL A 85 7.355 15.090 0.035 1.00 0.04 H new ATOM 0 HB VAL A 85 9.627 16.853 0.934 1.00 21.14 H new ATOM 0 HG11 VAL A 85 10.998 15.280 -0.393 1.00 55.31 H new ATOM 0 HG12 VAL A 85 10.195 14.456 0.965 1.00 55.31 H new ATOM 0 HG13 VAL A 85 9.555 14.280 -0.686 1.00 55.31 H new ATOM 0 HG21 VAL A 85 9.933 17.190 -1.489 1.00 35.12 H new ATOM 0 HG22 VAL A 85 8.479 16.213 -1.805 1.00 35.12 H new ATOM 0 HG23 VAL A 85 8.339 17.766 -0.947 1.00 35.12 H new ATOM 1230 N SER A 86 7.312 13.821 2.156 1.00 70.32 N ATOM 1231 CA SER A 86 7.423 12.968 3.281 1.00 13.44 C ATOM 1232 C SER A 86 8.598 11.997 3.115 1.00 1.51 C ATOM 1233 O SER A 86 8.524 11.041 2.366 1.00 24.23 O ATOM 1234 CB SER A 86 6.094 12.252 3.512 1.00 61.25 C ATOM 1235 OG SER A 86 5.546 11.779 2.292 1.00 52.45 O ATOM 0 H SER A 86 6.689 13.477 1.425 1.00 70.32 H new ATOM 0 HA SER A 86 7.639 13.560 4.171 1.00 13.44 H new ATOM 0 HB2 SER A 86 6.243 11.416 4.195 1.00 61.25 H new ATOM 0 HB3 SER A 86 5.390 12.933 3.990 1.00 61.25 H new ATOM 0 HG SER A 86 4.582 11.956 2.276 1.00 52.45 H new ATOM 1241 N ARG A 87 9.705 12.311 3.781 1.00 73.32 N ATOM 1242 CA ARG A 87 10.920 11.481 3.764 1.00 33.54 C ATOM 1243 C ARG A 87 10.627 10.127 4.411 1.00 11.21 C ATOM 1244 O ARG A 87 11.158 9.096 4.017 1.00 24.12 O ATOM 1245 CB ARG A 87 12.065 12.196 4.546 1.00 2.03 C ATOM 1246 CG ARG A 87 11.713 12.459 6.010 1.00 11.20 C ATOM 1247 CD ARG A 87 12.763 13.212 6.800 1.00 32.01 C ATOM 1248 NE ARG A 87 12.244 13.517 8.153 1.00 14.21 N ATOM 1249 CZ ARG A 87 12.838 13.182 9.316 1.00 52.14 C ATOM 1250 NH1 ARG A 87 14.094 12.740 9.335 1.00 42.54 N ATOM 1251 NH2 ARG A 87 12.177 13.330 10.463 1.00 34.40 N ATOM 0 H ARG A 87 9.792 13.151 4.353 1.00 73.32 H new ATOM 0 HA ARG A 87 11.233 11.330 2.731 1.00 33.54 H new ATOM 0 HB2 ARG A 87 12.967 11.585 4.499 1.00 2.03 H new ATOM 0 HB3 ARG A 87 12.295 13.143 4.057 1.00 2.03 H new ATOM 0 HG2 ARG A 87 10.780 13.022 6.047 1.00 11.20 H new ATOM 0 HG3 ARG A 87 11.529 11.503 6.500 1.00 11.20 H new ATOM 0 HD2 ARG A 87 13.673 12.616 6.874 1.00 32.01 H new ATOM 0 HD3 ARG A 87 13.028 14.135 6.284 1.00 32.01 H new ATOM 0 HE ARG A 87 11.361 14.024 8.210 1.00 14.21 H new ATOM 0 HH11 ARG A 87 14.617 12.652 8.464 1.00 42.54 H new ATOM 0 HH12 ARG A 87 14.533 12.490 10.221 1.00 42.54 H new ATOM 0 HH21 ARG A 87 11.225 13.696 10.459 1.00 34.40 H new ATOM 0 HH22 ARG A 87 12.623 13.078 11.345 1.00 34.40 H new ATOM 1265 N ARG A 88 9.771 10.163 5.414 1.00 23.34 N ATOM 1266 CA ARG A 88 9.395 9.017 6.182 1.00 41.51 C ATOM 1267 C ARG A 88 7.974 9.176 6.612 1.00 71.24 C ATOM 1268 O ARG A 88 7.697 9.905 7.570 1.00 31.42 O ATOM 1269 CB ARG A 88 10.284 8.873 7.438 1.00 41.33 C ATOM 1270 CG ARG A 88 11.722 8.502 7.171 1.00 34.13 C ATOM 1271 CD ARG A 88 11.811 7.127 6.548 1.00 15.50 C ATOM 1272 NE ARG A 88 13.180 6.766 6.247 1.00 61.11 N ATOM 1273 CZ ARG A 88 13.628 5.526 6.116 1.00 34.03 C ATOM 1274 NH1 ARG A 88 12.836 4.494 6.373 1.00 33.31 N ATOM 1275 NH2 ARG A 88 14.880 5.316 5.785 1.00 42.41 N ATOM 0 H ARG A 88 9.311 11.021 5.717 1.00 23.34 H new ATOM 0 HA ARG A 88 9.519 8.126 5.566 1.00 41.51 H new ATOM 0 HB2 ARG A 88 10.265 9.815 7.986 1.00 41.33 H new ATOM 0 HB3 ARG A 88 9.846 8.116 8.089 1.00 41.33 H new ATOM 0 HG2 ARG A 88 12.176 9.238 6.507 1.00 34.13 H new ATOM 0 HG3 ARG A 88 12.287 8.522 8.103 1.00 34.13 H new ATOM 0 HD2 ARG A 88 11.381 6.391 7.227 1.00 15.50 H new ATOM 0 HD3 ARG A 88 11.218 7.102 5.634 1.00 15.50 H new ATOM 0 HE ARG A 88 13.851 7.524 6.126 1.00 61.11 H new ATOM 0 HH11 ARG A 88 11.874 4.652 6.674 1.00 33.31 H new ATOM 0 HH12 ARG A 88 13.189 3.542 6.270 1.00 33.31 H new ATOM 0 HH21 ARG A 88 15.506 6.106 5.629 1.00 42.41 H new ATOM 0 HH22 ARG A 88 15.228 4.362 5.683 1.00 42.41 H new ATOM 1289 N HIS A 89 7.063 8.603 5.874 1.00 21.33 N ATOM 1290 CA HIS A 89 5.697 8.652 6.303 1.00 73.20 C ATOM 1291 C HIS A 89 5.330 7.333 6.966 1.00 61.35 C ATOM 1292 O HIS A 89 4.909 7.313 8.119 1.00 53.13 O ATOM 1293 CB HIS A 89 4.740 9.000 5.151 1.00 1.43 C ATOM 1294 CG HIS A 89 3.333 9.317 5.600 1.00 40.12 C ATOM 1295 ND1 HIS A 89 2.260 9.097 4.790 1.00 23.53 N ATOM 1296 CD2 HIS A 89 2.898 9.865 6.763 1.00 30.43 C ATOM 1297 CE1 HIS A 89 1.207 9.509 5.459 1.00 1.54 C ATOM 1298 NE2 HIS A 89 1.537 9.978 6.667 1.00 41.55 N ATOM 0 H HIS A 89 7.235 8.111 4.998 1.00 21.33 H new ATOM 0 HA HIS A 89 5.590 9.455 7.032 1.00 73.20 H new ATOM 0 HB2 HIS A 89 5.139 9.856 4.606 1.00 1.43 H new ATOM 0 HB3 HIS A 89 4.708 8.164 4.452 1.00 1.43 H new ATOM 0 HD2 HIS A 89 3.509 10.157 7.604 1.00 30.43 H new ATOM 0 HE1 HIS A 89 0.197 9.473 5.079 1.00 1.54 H new ATOM 0 HE2 HIS A 89 0.902 10.346 7.375 1.00 41.55 H new ATOM 1306 N ALA A 90 5.575 6.222 6.285 1.00 70.43 N ATOM 1307 CA ALA A 90 5.231 4.933 6.855 1.00 65.15 C ATOM 1308 C ALA A 90 6.075 3.829 6.266 1.00 63.34 C ATOM 1309 O ALA A 90 6.629 3.967 5.176 1.00 43.35 O ATOM 1310 CB ALA A 90 3.746 4.630 6.638 1.00 21.52 C ATOM 0 H ALA A 90 6.001 6.188 5.359 1.00 70.43 H new ATOM 0 HA ALA A 90 5.432 4.980 7.925 1.00 65.15 H new ATOM 0 HB1 ALA A 90 3.506 3.659 7.072 1.00 21.52 H new ATOM 0 HB2 ALA A 90 3.143 5.401 7.118 1.00 21.52 H new ATOM 0 HB3 ALA A 90 3.530 4.613 5.570 1.00 21.52 H new ATOM 1316 N GLU A 91 6.208 2.764 6.997 1.00 23.43 N ATOM 1317 CA GLU A 91 6.888 1.595 6.521 1.00 33.21 C ATOM 1318 C GLU A 91 6.123 0.351 6.925 1.00 41.11 C ATOM 1319 O GLU A 91 5.540 0.287 8.014 1.00 31.01 O ATOM 1320 CB GLU A 91 8.362 1.536 6.971 1.00 50.22 C ATOM 1321 CG GLU A 91 8.592 1.653 8.467 1.00 54.50 C ATOM 1322 CD GLU A 91 10.045 1.462 8.835 1.00 64.31 C ATOM 1323 OE1 GLU A 91 10.896 2.306 8.463 1.00 1.13 O ATOM 1324 OE2 GLU A 91 10.374 0.475 9.517 1.00 53.12 O ATOM 0 H GLU A 91 5.846 2.680 7.947 1.00 23.43 H new ATOM 0 HA GLU A 91 6.917 1.649 5.433 1.00 33.21 H new ATOM 0 HB2 GLU A 91 8.792 0.595 6.627 1.00 50.22 H new ATOM 0 HB3 GLU A 91 8.908 2.337 6.473 1.00 50.22 H new ATOM 0 HG2 GLU A 91 8.257 2.632 8.809 1.00 54.50 H new ATOM 0 HG3 GLU A 91 7.986 0.910 8.986 1.00 54.50 H new ATOM 1331 N PHE A 92 6.102 -0.599 6.044 1.00 61.41 N ATOM 1332 CA PHE A 92 5.420 -1.838 6.248 1.00 1.13 C ATOM 1333 C PHE A 92 6.473 -2.879 6.514 1.00 2.35 C ATOM 1334 O PHE A 92 7.344 -3.135 5.665 1.00 52.24 O ATOM 1335 CB PHE A 92 4.623 -2.227 4.999 1.00 61.04 C ATOM 1336 CG PHE A 92 3.710 -1.151 4.472 1.00 41.10 C ATOM 1337 CD1 PHE A 92 2.477 -0.935 5.047 1.00 70.41 C ATOM 1338 CD2 PHE A 92 4.094 -0.358 3.398 1.00 55.31 C ATOM 1339 CE1 PHE A 92 1.633 0.052 4.570 1.00 42.02 C ATOM 1340 CE2 PHE A 92 3.256 0.629 2.914 1.00 73.32 C ATOM 1341 CZ PHE A 92 2.024 0.835 3.502 1.00 54.13 C ATOM 0 H PHE A 92 6.570 -0.533 5.140 1.00 61.41 H new ATOM 0 HA PHE A 92 4.721 -1.754 7.080 1.00 1.13 H new ATOM 0 HB2 PHE A 92 5.322 -2.508 4.212 1.00 61.04 H new ATOM 0 HB3 PHE A 92 4.027 -3.111 5.226 1.00 61.04 H new ATOM 0 HD1 PHE A 92 2.165 -1.545 5.882 1.00 70.41 H new ATOM 0 HD2 PHE A 92 5.058 -0.514 2.936 1.00 55.31 H new ATOM 0 HE1 PHE A 92 0.670 0.210 5.032 1.00 42.02 H new ATOM 0 HE2 PHE A 92 3.565 1.238 2.077 1.00 73.32 H new ATOM 0 HZ PHE A 92 1.368 1.607 3.128 1.00 54.13 H new ATOM 1351 N ARG A 93 6.427 -3.438 7.664 1.00 71.14 N ATOM 1352 CA ARG A 93 7.409 -4.387 8.094 1.00 15.51 C ATOM 1353 C ARG A 93 6.778 -5.755 8.142 1.00 4.12 C ATOM 1354 O ARG A 93 5.701 -5.940 8.711 1.00 31.12 O ATOM 1355 CB ARG A 93 7.958 -3.947 9.447 1.00 10.12 C ATOM 1356 CG ARG A 93 8.601 -2.569 9.365 1.00 13.04 C ATOM 1357 CD ARG A 93 8.637 -1.846 10.693 1.00 21.44 C ATOM 1358 NE ARG A 93 9.491 -2.467 11.704 1.00 61.30 N ATOM 1359 CZ ARG A 93 10.442 -1.806 12.370 1.00 62.04 C ATOM 1360 NH1 ARG A 93 10.858 -0.609 11.937 1.00 15.32 N ATOM 1361 NH2 ARG A 93 11.028 -2.367 13.418 1.00 50.04 N ATOM 0 H ARG A 93 5.698 -3.253 8.353 1.00 71.14 H new ATOM 0 HA ARG A 93 8.246 -4.436 7.398 1.00 15.51 H new ATOM 0 HB2 ARG A 93 7.152 -3.931 10.180 1.00 10.12 H new ATOM 0 HB3 ARG A 93 8.692 -4.673 9.797 1.00 10.12 H new ATOM 0 HG2 ARG A 93 9.618 -2.672 8.988 1.00 13.04 H new ATOM 0 HG3 ARG A 93 8.053 -1.962 8.644 1.00 13.04 H new ATOM 0 HD2 ARG A 93 8.979 -0.825 10.526 1.00 21.44 H new ATOM 0 HD3 ARG A 93 7.622 -1.782 11.084 1.00 21.44 H new ATOM 0 HE ARG A 93 9.354 -3.456 11.912 1.00 61.30 H new ATOM 0 HH11 ARG A 93 10.449 -0.200 11.097 1.00 15.32 H new ATOM 0 HH12 ARG A 93 11.584 -0.106 12.447 1.00 15.32 H new ATOM 0 HH21 ARG A 93 10.753 -3.303 13.716 1.00 50.04 H new ATOM 0 HH22 ARG A 93 11.754 -1.863 13.927 1.00 50.04 H new ATOM 1375 N ILE A 94 7.413 -6.683 7.505 1.00 2.31 N ATOM 1376 CA ILE A 94 6.909 -8.019 7.386 1.00 24.13 C ATOM 1377 C ILE A 94 7.723 -8.905 8.308 1.00 43.23 C ATOM 1378 O ILE A 94 8.932 -9.085 8.104 1.00 2.32 O ATOM 1379 CB ILE A 94 7.019 -8.558 5.902 1.00 0.51 C ATOM 1380 CG1 ILE A 94 6.183 -7.736 4.889 1.00 12.40 C ATOM 1381 CG2 ILE A 94 6.624 -10.025 5.801 1.00 41.23 C ATOM 1382 CD1 ILE A 94 6.684 -6.339 4.574 1.00 24.34 C ATOM 0 H ILE A 94 8.311 -6.536 7.044 1.00 2.31 H new ATOM 0 HA ILE A 94 5.853 -8.027 7.657 1.00 24.13 H new ATOM 0 HB ILE A 94 8.071 -8.446 5.639 1.00 0.51 H new ATOM 0 HG12 ILE A 94 6.129 -8.297 3.956 1.00 12.40 H new ATOM 0 HG13 ILE A 94 5.166 -7.655 5.272 1.00 12.40 H new ATOM 0 HG21 ILE A 94 6.713 -10.355 4.766 1.00 41.23 H new ATOM 0 HG22 ILE A 94 7.282 -10.623 6.431 1.00 41.23 H new ATOM 0 HG23 ILE A 94 5.593 -10.148 6.133 1.00 41.23 H new ATOM 0 HD11 ILE A 94 6.016 -5.866 3.854 1.00 24.34 H new ATOM 0 HD12 ILE A 94 6.709 -5.747 5.489 1.00 24.34 H new ATOM 0 HD13 ILE A 94 7.687 -6.399 4.152 1.00 24.34 H new ATOM 1394 N ASN A 95 7.092 -9.422 9.319 1.00 71.23 N ATOM 1395 CA ASN A 95 7.767 -10.274 10.266 1.00 45.12 C ATOM 1396 C ASN A 95 7.016 -11.579 10.401 1.00 11.33 C ATOM 1397 O ASN A 95 5.855 -11.597 10.815 1.00 13.54 O ATOM 1398 CB ASN A 95 7.878 -9.582 11.633 1.00 11.51 C ATOM 1399 CG ASN A 95 8.588 -10.437 12.676 1.00 62.33 C ATOM 1400 OD1 ASN A 95 9.456 -11.238 12.354 1.00 55.33 O ATOM 1401 ND2 ASN A 95 8.230 -10.268 13.919 1.00 1.12 N ATOM 0 H ASN A 95 6.103 -9.270 9.515 1.00 71.23 H new ATOM 0 HA ASN A 95 8.775 -10.475 9.902 1.00 45.12 H new ATOM 0 HB2 ASN A 95 8.415 -8.641 11.515 1.00 11.51 H new ATOM 0 HB3 ASN A 95 6.879 -9.336 11.992 1.00 11.51 H new ATOM 0 HD21 ASN A 95 8.677 -10.812 14.657 1.00 1.12 H new ATOM 0 HD22 ASN A 95 7.503 -9.592 14.153 1.00 1.12 H new ATOM 1408 N GLU A 96 7.688 -12.654 10.032 1.00 41.34 N ATOM 1409 CA GLU A 96 7.184 -14.036 10.081 1.00 72.14 C ATOM 1410 C GLU A 96 5.849 -14.191 9.352 1.00 15.12 C ATOM 1411 O GLU A 96 4.982 -14.968 9.755 1.00 13.42 O ATOM 1412 CB GLU A 96 7.110 -14.530 11.529 1.00 54.11 C ATOM 1413 CG GLU A 96 8.462 -14.518 12.235 1.00 10.13 C ATOM 1414 CD GLU A 96 9.500 -15.362 11.524 1.00 12.31 C ATOM 1415 OE1 GLU A 96 10.136 -14.876 10.545 1.00 4.21 O ATOM 1416 OE2 GLU A 96 9.710 -16.528 11.917 1.00 51.20 O ATOM 0 H GLU A 96 8.641 -12.598 9.673 1.00 41.34 H new ATOM 0 HA GLU A 96 7.894 -14.668 9.547 1.00 72.14 H new ATOM 0 HB2 GLU A 96 6.411 -13.905 12.085 1.00 54.11 H new ATOM 0 HB3 GLU A 96 6.710 -15.544 11.541 1.00 54.11 H new ATOM 0 HG2 GLU A 96 8.821 -13.491 12.306 1.00 10.13 H new ATOM 0 HG3 GLU A 96 8.338 -14.884 13.254 1.00 10.13 H new ATOM 1423 N GLY A 97 5.724 -13.482 8.247 1.00 51.30 N ATOM 1424 CA GLY A 97 4.528 -13.554 7.436 1.00 71.40 C ATOM 1425 C GLY A 97 3.443 -12.600 7.894 1.00 53.53 C ATOM 1426 O GLY A 97 2.400 -12.504 7.272 1.00 44.23 O ATOM 0 H GLY A 97 6.439 -12.848 7.891 1.00 51.30 H new ATOM 0 HA2 GLY A 97 4.785 -13.333 6.400 1.00 71.40 H new ATOM 0 HA3 GLY A 97 4.141 -14.573 7.458 1.00 71.40 H new ATOM 1430 N GLU A 98 3.690 -11.887 8.966 1.00 12.24 N ATOM 1431 CA GLU A 98 2.735 -10.932 9.457 1.00 54.21 C ATOM 1432 C GLU A 98 3.175 -9.541 9.068 1.00 54.53 C ATOM 1433 O GLU A 98 4.369 -9.238 9.052 1.00 14.32 O ATOM 1434 CB GLU A 98 2.562 -11.056 10.965 1.00 24.33 C ATOM 1435 CG GLU A 98 2.151 -12.448 11.397 1.00 14.42 C ATOM 1436 CD GLU A 98 1.785 -12.522 12.845 1.00 1.32 C ATOM 1437 OE1 GLU A 98 0.613 -12.292 13.179 1.00 71.22 O ATOM 1438 OE2 GLU A 98 2.659 -12.830 13.686 1.00 3.01 O ATOM 0 H GLU A 98 4.548 -11.953 9.514 1.00 12.24 H new ATOM 0 HA GLU A 98 1.763 -11.134 9.006 1.00 54.21 H new ATOM 0 HB2 GLU A 98 3.498 -10.790 11.456 1.00 24.33 H new ATOM 0 HB3 GLU A 98 1.811 -10.340 11.300 1.00 24.33 H new ATOM 0 HG2 GLU A 98 1.303 -12.774 10.796 1.00 14.42 H new ATOM 0 HG3 GLU A 98 2.968 -13.141 11.198 1.00 14.42 H new ATOM 1445 N PHE A 99 2.224 -8.714 8.744 1.00 14.11 N ATOM 1446 CA PHE A 99 2.490 -7.389 8.231 1.00 72.33 C ATOM 1447 C PHE A 99 2.091 -6.333 9.260 1.00 24.51 C ATOM 1448 O PHE A 99 0.937 -6.312 9.730 1.00 0.02 O ATOM 1449 CB PHE A 99 1.673 -7.164 6.936 1.00 11.24 C ATOM 1450 CG PHE A 99 1.938 -8.157 5.825 1.00 45.31 C ATOM 1451 CD1 PHE A 99 1.340 -9.415 5.833 1.00 62.15 C ATOM 1452 CD2 PHE A 99 2.778 -7.835 4.780 1.00 21.23 C ATOM 1453 CE1 PHE A 99 1.585 -10.322 4.824 1.00 63.04 C ATOM 1454 CE2 PHE A 99 3.026 -8.742 3.765 1.00 21.14 C ATOM 1455 CZ PHE A 99 2.431 -9.985 3.789 1.00 31.40 C ATOM 0 H PHE A 99 1.232 -8.936 8.827 1.00 14.11 H new ATOM 0 HA PHE A 99 3.556 -7.301 8.021 1.00 72.33 H new ATOM 0 HB2 PHE A 99 0.612 -7.196 7.185 1.00 11.24 H new ATOM 0 HB3 PHE A 99 1.883 -6.162 6.563 1.00 11.24 H new ATOM 0 HD1 PHE A 99 0.675 -9.684 6.641 1.00 62.15 H new ATOM 0 HD2 PHE A 99 3.248 -6.863 4.753 1.00 21.23 H new ATOM 0 HE1 PHE A 99 1.115 -11.294 4.844 1.00 63.04 H new ATOM 0 HE2 PHE A 99 3.687 -8.476 2.953 1.00 21.14 H new ATOM 0 HZ PHE A 99 2.627 -10.694 2.998 1.00 31.40 H new ATOM 1465 N GLU A 100 3.018 -5.491 9.619 1.00 4.03 N ATOM 1466 CA GLU A 100 2.758 -4.393 10.519 1.00 13.12 C ATOM 1467 C GLU A 100 3.070 -3.070 9.809 1.00 22.11 C ATOM 1468 O GLU A 100 4.021 -2.982 9.018 1.00 32.12 O ATOM 1469 CB GLU A 100 3.604 -4.515 11.817 1.00 2.24 C ATOM 1470 CG GLU A 100 5.111 -4.526 11.581 1.00 64.55 C ATOM 1471 CD GLU A 100 5.940 -4.540 12.847 1.00 5.21 C ATOM 1472 OE1 GLU A 100 6.121 -5.609 13.448 1.00 75.23 O ATOM 1473 OE2 GLU A 100 6.479 -3.476 13.237 1.00 32.52 O ATOM 0 H GLU A 100 3.984 -5.544 9.295 1.00 4.03 H new ATOM 0 HA GLU A 100 1.706 -4.420 10.804 1.00 13.12 H new ATOM 0 HB2 GLU A 100 3.357 -3.684 12.478 1.00 2.24 H new ATOM 0 HB3 GLU A 100 3.322 -5.431 12.337 1.00 2.24 H new ATOM 0 HG2 GLU A 100 5.367 -5.401 10.983 1.00 64.55 H new ATOM 0 HG3 GLU A 100 5.381 -3.649 10.993 1.00 64.55 H new ATOM 1480 N VAL A 101 2.256 -2.075 10.047 1.00 5.14 N ATOM 1481 CA VAL A 101 2.522 -0.737 9.514 1.00 71.42 C ATOM 1482 C VAL A 101 3.054 0.094 10.631 1.00 23.22 C ATOM 1483 O VAL A 101 2.430 0.180 11.688 1.00 71.24 O ATOM 1484 CB VAL A 101 1.255 0.029 9.022 1.00 50.42 C ATOM 1485 CG1 VAL A 101 1.627 1.307 8.274 1.00 62.52 C ATOM 1486 CG2 VAL A 101 0.349 -0.821 8.206 1.00 20.42 C ATOM 0 H VAL A 101 1.404 -2.151 10.602 1.00 5.14 H new ATOM 0 HA VAL A 101 3.196 -0.880 8.669 1.00 71.42 H new ATOM 0 HB VAL A 101 0.702 0.309 9.919 1.00 50.42 H new ATOM 0 HG11 VAL A 101 0.719 1.814 7.946 1.00 62.52 H new ATOM 0 HG12 VAL A 101 2.191 1.964 8.935 1.00 62.52 H new ATOM 0 HG13 VAL A 101 2.236 1.056 7.406 1.00 62.52 H new ATOM 0 HG21 VAL A 101 -0.515 -0.235 7.892 1.00 20.42 H new ATOM 0 HG22 VAL A 101 0.882 -1.181 7.326 1.00 20.42 H new ATOM 0 HG23 VAL A 101 0.014 -1.671 8.801 1.00 20.42 H new ATOM 1496 N VAL A 102 4.175 0.673 10.440 1.00 52.40 N ATOM 1497 CA VAL A 102 4.674 1.590 11.403 1.00 23.32 C ATOM 1498 C VAL A 102 4.712 2.951 10.752 1.00 62.41 C ATOM 1499 O VAL A 102 5.334 3.141 9.693 1.00 5.34 O ATOM 1500 CB VAL A 102 6.086 1.189 11.926 1.00 75.24 C ATOM 1501 CG1 VAL A 102 6.618 2.212 12.930 1.00 73.30 C ATOM 1502 CG2 VAL A 102 6.038 -0.185 12.570 1.00 72.15 C ATOM 0 H VAL A 102 4.771 0.532 9.625 1.00 52.40 H new ATOM 0 HA VAL A 102 4.020 1.591 12.275 1.00 23.32 H new ATOM 0 HB VAL A 102 6.762 1.164 11.072 1.00 75.24 H new ATOM 0 HG11 VAL A 102 7.605 1.903 13.276 1.00 73.30 H new ATOM 0 HG12 VAL A 102 6.691 3.188 12.451 1.00 73.30 H new ATOM 0 HG13 VAL A 102 5.939 2.275 13.780 1.00 73.30 H new ATOM 0 HG21 VAL A 102 7.031 -0.453 12.931 1.00 72.15 H new ATOM 0 HG22 VAL A 102 5.340 -0.170 13.407 1.00 72.15 H new ATOM 0 HG23 VAL A 102 5.709 -0.920 11.835 1.00 72.15 H new ATOM 1512 N ASP A 103 4.028 3.860 11.353 1.00 3.21 N ATOM 1513 CA ASP A 103 3.976 5.222 10.917 1.00 12.44 C ATOM 1514 C ASP A 103 5.114 5.963 11.543 1.00 10.30 C ATOM 1515 O ASP A 103 5.265 5.991 12.769 1.00 75.31 O ATOM 1516 CB ASP A 103 2.624 5.838 11.292 1.00 44.12 C ATOM 1517 CG ASP A 103 2.609 7.354 11.335 1.00 74.11 C ATOM 1518 OD1 ASP A 103 2.886 8.010 10.306 1.00 13.13 O ATOM 1519 OD2 ASP A 103 2.338 7.913 12.419 1.00 34.42 O ATOM 0 H ASP A 103 3.470 3.677 12.187 1.00 3.21 H new ATOM 0 HA ASP A 103 4.071 5.283 9.833 1.00 12.44 H new ATOM 0 HB2 ASP A 103 1.875 5.501 10.575 1.00 44.12 H new ATOM 0 HB3 ASP A 103 2.325 5.457 12.269 1.00 44.12 H new ATOM 1524 N VAL A 104 5.922 6.526 10.723 1.00 64.15 N ATOM 1525 CA VAL A 104 7.102 7.227 11.157 1.00 20.23 C ATOM 1526 C VAL A 104 6.992 8.688 10.788 1.00 43.32 C ATOM 1527 O VAL A 104 7.969 9.451 10.857 1.00 45.34 O ATOM 1528 CB VAL A 104 8.400 6.597 10.562 1.00 2.13 C ATOM 1529 CG1 VAL A 104 8.674 5.244 11.206 1.00 74.21 C ATOM 1530 CG2 VAL A 104 8.268 6.413 9.057 1.00 35.21 C ATOM 0 H VAL A 104 5.792 6.520 9.711 1.00 64.15 H new ATOM 0 HA VAL A 104 7.173 7.138 12.241 1.00 20.23 H new ATOM 0 HB VAL A 104 9.228 7.275 10.769 1.00 2.13 H new ATOM 0 HG11 VAL A 104 9.582 4.816 10.781 1.00 74.21 H new ATOM 0 HG12 VAL A 104 8.801 5.372 12.281 1.00 74.21 H new ATOM 0 HG13 VAL A 104 7.835 4.574 11.017 1.00 74.21 H new ATOM 0 HG21 VAL A 104 9.184 5.973 8.663 1.00 35.21 H new ATOM 0 HG22 VAL A 104 7.427 5.753 8.843 1.00 35.21 H new ATOM 0 HG23 VAL A 104 8.099 7.381 8.586 1.00 35.21 H new ATOM 1540 N GLY A 105 5.794 9.082 10.429 1.00 51.11 N ATOM 1541 CA GLY A 105 5.567 10.424 10.054 1.00 33.54 C ATOM 1542 C GLY A 105 4.528 11.099 10.905 1.00 51.22 C ATOM 1543 O GLY A 105 4.846 12.027 11.644 1.00 72.13 O ATOM 0 H GLY A 105 4.972 8.479 10.394 1.00 51.11 H new ATOM 0 HA2 GLY A 105 6.503 10.979 10.123 1.00 33.54 H new ATOM 0 HA3 GLY A 105 5.253 10.457 9.011 1.00 33.54 H new ATOM 1547 N SER A 106 3.271 10.632 10.806 1.00 51.24 N ATOM 1548 CA SER A 106 2.102 11.257 11.465 1.00 24.41 C ATOM 1549 C SER A 106 1.895 12.721 10.968 1.00 30.44 C ATOM 1550 O SER A 106 1.029 13.454 11.452 1.00 55.23 O ATOM 1551 CB SER A 106 2.236 11.170 13.015 1.00 4.35 C ATOM 1552 OG SER A 106 1.137 11.778 13.696 1.00 52.23 O ATOM 0 H SER A 106 3.032 9.803 10.262 1.00 51.24 H new ATOM 0 HA SER A 106 1.206 10.702 11.187 1.00 24.41 H new ATOM 0 HB2 SER A 106 2.309 10.124 13.312 1.00 4.35 H new ATOM 0 HB3 SER A 106 3.163 11.654 13.324 1.00 4.35 H new ATOM 0 HG SER A 106 0.701 12.424 13.102 1.00 52.23 H new ATOM 1558 N LEU A 107 2.641 13.076 9.933 1.00 0.40 N ATOM 1559 CA LEU A 107 2.690 14.412 9.369 1.00 2.31 C ATOM 1560 C LEU A 107 1.366 14.840 8.746 1.00 41.11 C ATOM 1561 O LEU A 107 0.869 15.939 9.008 1.00 14.23 O ATOM 1562 CB LEU A 107 3.896 14.504 8.405 1.00 63.30 C ATOM 1563 CG LEU A 107 4.027 13.413 7.308 1.00 11.23 C ATOM 1564 CD1 LEU A 107 3.310 13.792 6.019 1.00 41.34 C ATOM 1565 CD2 LEU A 107 5.485 13.072 7.044 1.00 20.25 C ATOM 0 H LEU A 107 3.249 12.417 9.447 1.00 0.40 H new ATOM 0 HA LEU A 107 2.843 15.135 10.170 1.00 2.31 H new ATOM 0 HB2 LEU A 107 3.857 15.474 7.910 1.00 63.30 H new ATOM 0 HB3 LEU A 107 4.806 14.488 9.004 1.00 63.30 H new ATOM 0 HG LEU A 107 3.532 12.521 7.692 1.00 11.23 H new ATOM 0 HD11 LEU A 107 3.433 12.995 5.286 1.00 41.34 H new ATOM 0 HD12 LEU A 107 2.249 13.937 6.222 1.00 41.34 H new ATOM 0 HD13 LEU A 107 3.734 14.716 5.625 1.00 41.34 H new ATOM 0 HD21 LEU A 107 5.545 12.305 6.271 1.00 20.25 H new ATOM 0 HD22 LEU A 107 6.013 13.965 6.711 1.00 20.25 H new ATOM 0 HD23 LEU A 107 5.943 12.700 7.960 1.00 20.25 H new ATOM 1577 N ASN A 108 0.793 13.968 7.964 1.00 2.42 N ATOM 1578 CA ASN A 108 -0.519 14.207 7.366 1.00 65.30 C ATOM 1579 C ASN A 108 -1.564 13.620 8.272 1.00 70.04 C ATOM 1580 O ASN A 108 -2.731 13.988 8.243 1.00 13.13 O ATOM 1581 CB ASN A 108 -0.597 13.516 5.989 1.00 32.54 C ATOM 1582 CG ASN A 108 -1.941 13.686 5.281 1.00 43.34 C ATOM 1583 OD1 ASN A 108 -2.141 14.628 4.533 1.00 53.03 O ATOM 1584 ND2 ASN A 108 -2.867 12.761 5.502 1.00 42.54 N ATOM 0 H ASN A 108 1.209 13.071 7.715 1.00 2.42 H new ATOM 0 HA ASN A 108 -0.681 15.277 7.238 1.00 65.30 H new ATOM 0 HB2 ASN A 108 0.191 13.914 5.350 1.00 32.54 H new ATOM 0 HB3 ASN A 108 -0.398 12.452 6.116 1.00 32.54 H new ATOM 0 HD21 ASN A 108 -3.774 12.827 5.041 1.00 42.54 H new ATOM 0 HD22 ASN A 108 -2.671 11.984 6.133 1.00 42.54 H new ATOM 1591 N GLY A 109 -1.107 12.751 9.126 1.00 70.30 N ATOM 1592 CA GLY A 109 -1.989 11.959 9.893 1.00 64.34 C ATOM 1593 C GLY A 109 -2.235 10.727 9.111 1.00 0.52 C ATOM 1594 O GLY A 109 -3.029 10.729 8.181 1.00 62.10 O ATOM 0 H GLY A 109 -0.117 12.581 9.301 1.00 70.30 H new ATOM 0 HA2 GLY A 109 -1.553 11.722 10.864 1.00 64.34 H new ATOM 0 HA3 GLY A 109 -2.921 12.490 10.084 1.00 64.34 H new ATOM 1598 N THR A 110 -1.477 9.725 9.381 1.00 72.30 N ATOM 1599 CA THR A 110 -1.593 8.508 8.664 1.00 12.12 C ATOM 1600 C THR A 110 -2.817 7.766 9.161 1.00 32.51 C ATOM 1601 O THR A 110 -2.984 7.576 10.376 1.00 13.25 O ATOM 1602 CB THR A 110 -0.335 7.695 8.957 1.00 2.54 C ATOM 1603 OG1 THR A 110 0.786 8.606 8.887 1.00 71.35 O ATOM 1604 CG2 THR A 110 -0.149 6.586 7.929 1.00 22.32 C ATOM 0 H THR A 110 -0.759 9.726 10.105 1.00 72.30 H new ATOM 0 HA THR A 110 -1.696 8.679 7.592 1.00 12.12 H new ATOM 0 HB THR A 110 -0.413 7.228 9.939 1.00 2.54 H new ATOM 0 HG1 THR A 110 1.087 8.683 7.958 1.00 71.35 H new ATOM 0 HG21 THR A 110 0.755 6.022 8.161 1.00 22.32 H new ATOM 0 HG22 THR A 110 -1.010 5.918 7.955 1.00 22.32 H new ATOM 0 HG23 THR A 110 -0.058 7.023 6.935 1.00 22.32 H new ATOM 1612 N TYR A 111 -3.670 7.353 8.258 1.00 64.11 N ATOM 1613 CA TYR A 111 -4.813 6.603 8.661 1.00 73.23 C ATOM 1614 C TYR A 111 -4.633 5.228 8.136 1.00 21.15 C ATOM 1615 O TYR A 111 -4.389 5.045 6.950 1.00 10.51 O ATOM 1616 CB TYR A 111 -6.145 7.175 8.125 1.00 73.34 C ATOM 1617 CG TYR A 111 -6.417 8.645 8.421 1.00 63.42 C ATOM 1618 CD1 TYR A 111 -5.906 9.651 7.610 1.00 25.55 C ATOM 1619 CD2 TYR A 111 -7.197 9.020 9.501 1.00 0.10 C ATOM 1620 CE1 TYR A 111 -6.164 10.982 7.872 1.00 41.11 C ATOM 1621 CE2 TYR A 111 -7.463 10.348 9.769 1.00 33.35 C ATOM 1622 CZ TYR A 111 -6.940 11.325 8.950 1.00 45.11 C ATOM 1623 OH TYR A 111 -7.192 12.654 9.217 1.00 43.24 O ATOM 0 H TYR A 111 -3.590 7.524 7.256 1.00 64.11 H new ATOM 0 HA TYR A 111 -4.881 6.637 9.748 1.00 73.23 H new ATOM 0 HB2 TYR A 111 -6.168 7.034 7.044 1.00 73.34 H new ATOM 0 HB3 TYR A 111 -6.962 6.586 8.541 1.00 73.34 H new ATOM 0 HD1 TYR A 111 -5.296 9.387 6.759 1.00 25.55 H new ATOM 0 HD2 TYR A 111 -7.606 8.258 10.148 1.00 0.10 H new ATOM 0 HE1 TYR A 111 -5.757 11.750 7.231 1.00 41.11 H new ATOM 0 HE2 TYR A 111 -8.077 10.619 10.615 1.00 33.35 H new ATOM 0 HH TYR A 111 -7.758 12.726 10.014 1.00 43.24 H new ATOM 1633 N VAL A 112 -4.722 4.283 8.987 1.00 73.41 N ATOM 1634 CA VAL A 112 -4.612 2.923 8.607 1.00 34.33 C ATOM 1635 C VAL A 112 -5.891 2.297 9.088 1.00 41.05 C ATOM 1636 O VAL A 112 -6.336 2.595 10.208 1.00 63.45 O ATOM 1637 CB VAL A 112 -3.375 2.223 9.237 1.00 43.41 C ATOM 1638 CG1 VAL A 112 -3.063 0.955 8.479 1.00 24.55 C ATOM 1639 CG2 VAL A 112 -2.148 3.139 9.260 1.00 3.55 C ATOM 0 H VAL A 112 -4.876 4.429 9.985 1.00 73.41 H new ATOM 0 HA VAL A 112 -4.468 2.822 7.531 1.00 34.33 H new ATOM 0 HB VAL A 112 -3.621 1.981 10.271 1.00 43.41 H new ATOM 0 HG11 VAL A 112 -2.195 0.469 8.925 1.00 24.55 H new ATOM 0 HG12 VAL A 112 -3.920 0.283 8.526 1.00 24.55 H new ATOM 0 HG13 VAL A 112 -2.848 1.197 7.438 1.00 24.55 H new ATOM 0 HG21 VAL A 112 -1.307 2.610 9.708 1.00 3.55 H new ATOM 0 HG22 VAL A 112 -1.892 3.430 8.241 1.00 3.55 H new ATOM 0 HG23 VAL A 112 -2.370 4.030 9.847 1.00 3.55 H new ATOM 1649 N ASN A 113 -6.505 1.499 8.254 1.00 11.40 N ATOM 1650 CA ASN A 113 -7.864 0.977 8.457 1.00 15.44 C ATOM 1651 C ASN A 113 -8.812 2.187 8.641 1.00 34.44 C ATOM 1652 O ASN A 113 -9.764 2.153 9.418 1.00 11.52 O ATOM 1653 CB ASN A 113 -7.912 0.060 9.691 1.00 63.15 C ATOM 1654 CG ASN A 113 -9.000 -0.993 9.605 1.00 63.04 C ATOM 1655 OD1 ASN A 113 -10.143 -0.787 10.010 1.00 14.12 O ATOM 1656 ND2 ASN A 113 -8.636 -2.141 9.104 1.00 43.20 N ATOM 0 H ASN A 113 -6.077 1.176 7.387 1.00 11.40 H new ATOM 0 HA ASN A 113 -8.173 0.383 7.597 1.00 15.44 H new ATOM 0 HB2 ASN A 113 -6.947 -0.432 9.809 1.00 63.15 H new ATOM 0 HB3 ASN A 113 -8.071 0.667 10.582 1.00 63.15 H new ATOM 0 HD21 ASN A 113 -9.309 -2.905 9.038 1.00 43.20 H new ATOM 0 HD22 ASN A 113 -7.679 -2.275 8.778 1.00 43.20 H new ATOM 1663 N ARG A 114 -8.530 3.251 7.854 1.00 21.45 N ATOM 1664 CA ARG A 114 -9.268 4.549 7.867 1.00 42.43 C ATOM 1665 C ARG A 114 -9.163 5.340 9.184 1.00 51.21 C ATOM 1666 O ARG A 114 -9.850 6.350 9.338 1.00 0.11 O ATOM 1667 CB ARG A 114 -10.752 4.387 7.503 1.00 12.20 C ATOM 1668 CG ARG A 114 -11.045 4.168 6.032 1.00 33.24 C ATOM 1669 CD ARG A 114 -12.551 4.117 5.782 1.00 3.14 C ATOM 1670 NE ARG A 114 -13.242 5.282 6.385 1.00 3.33 N ATOM 1671 CZ ARG A 114 -14.321 5.912 5.899 1.00 70.22 C ATOM 1672 NH1 ARG A 114 -14.875 5.534 4.742 1.00 20.13 N ATOM 1673 NH2 ARG A 114 -14.841 6.929 6.583 1.00 55.23 N ATOM 0 H ARG A 114 -7.768 3.237 7.176 1.00 21.45 H new ATOM 0 HA ARG A 114 -8.759 5.130 7.098 1.00 42.43 H new ATOM 0 HB2 ARG A 114 -11.156 3.545 8.065 1.00 12.20 H new ATOM 0 HB3 ARG A 114 -11.288 5.277 7.833 1.00 12.20 H new ATOM 0 HG2 ARG A 114 -10.601 4.972 5.444 1.00 33.24 H new ATOM 0 HG3 ARG A 114 -10.585 3.238 5.699 1.00 33.24 H new ATOM 0 HD2 ARG A 114 -12.742 4.095 4.709 1.00 3.14 H new ATOM 0 HD3 ARG A 114 -12.959 3.196 6.198 1.00 3.14 H new ATOM 0 HE ARG A 114 -12.857 5.641 7.259 1.00 3.33 H new ATOM 0 HH11 ARG A 114 -14.477 4.756 4.216 1.00 20.13 H new ATOM 0 HH12 ARG A 114 -15.696 6.024 4.386 1.00 20.13 H new ATOM 0 HH21 ARG A 114 -14.419 7.220 7.465 1.00 55.23 H new ATOM 0 HH22 ARG A 114 -15.662 7.418 6.225 1.00 55.23 H new ATOM 1687 N GLU A 115 -8.318 4.937 10.103 1.00 51.44 N ATOM 1688 CA GLU A 115 -8.215 5.645 11.372 1.00 35.11 C ATOM 1689 C GLU A 115 -6.768 6.002 11.655 1.00 61.45 C ATOM 1690 O GLU A 115 -5.879 5.273 11.230 1.00 41.14 O ATOM 1691 CB GLU A 115 -8.788 4.785 12.493 1.00 24.33 C ATOM 1692 CG GLU A 115 -10.225 4.387 12.251 1.00 22.13 C ATOM 1693 CD GLU A 115 -10.838 3.667 13.399 1.00 3.53 C ATOM 1694 OE1 GLU A 115 -10.632 2.442 13.533 1.00 11.51 O ATOM 1695 OE2 GLU A 115 -11.572 4.310 14.172 1.00 51.10 O ATOM 0 H GLU A 115 -7.696 4.134 10.006 1.00 51.44 H new ATOM 0 HA GLU A 115 -8.790 6.569 11.314 1.00 35.11 H new ATOM 0 HB2 GLU A 115 -8.181 3.886 12.602 1.00 24.33 H new ATOM 0 HB3 GLU A 115 -8.721 5.331 13.434 1.00 24.33 H new ATOM 0 HG2 GLU A 115 -10.811 5.281 12.037 1.00 22.13 H new ATOM 0 HG3 GLU A 115 -10.275 3.754 11.365 1.00 22.13 H new ATOM 1702 N PRO A 116 -6.494 7.135 12.351 1.00 15.11 N ATOM 1703 CA PRO A 116 -5.116 7.545 12.638 1.00 72.15 C ATOM 1704 C PRO A 116 -4.415 6.484 13.470 1.00 41.43 C ATOM 1705 O PRO A 116 -4.869 6.134 14.565 1.00 71.34 O ATOM 1706 CB PRO A 116 -5.273 8.852 13.437 1.00 41.44 C ATOM 1707 CG PRO A 116 -6.682 8.845 13.937 1.00 34.21 C ATOM 1708 CD PRO A 116 -7.485 8.062 12.934 1.00 73.23 C ATOM 0 HA PRO A 116 -4.516 7.678 11.738 1.00 72.15 H new ATOM 0 HB2 PRO A 116 -4.563 8.895 14.263 1.00 41.44 H new ATOM 0 HB3 PRO A 116 -5.084 9.722 12.808 1.00 41.44 H new ATOM 0 HG2 PRO A 116 -6.741 8.387 14.924 1.00 34.21 H new ATOM 0 HG3 PRO A 116 -7.065 9.861 14.033 1.00 34.21 H new ATOM 0 HD2 PRO A 116 -8.307 7.525 13.408 1.00 73.23 H new ATOM 0 HD3 PRO A 116 -7.923 8.711 12.176 1.00 73.23 H new ATOM 1716 N ARG A 117 -3.318 5.978 12.978 1.00 73.01 N ATOM 1717 CA ARG A 117 -2.673 4.885 13.641 1.00 63.54 C ATOM 1718 C ARG A 117 -1.168 5.007 13.459 1.00 41.25 C ATOM 1719 O ARG A 117 -0.694 5.252 12.358 1.00 42.11 O ATOM 1720 CB ARG A 117 -3.194 3.564 13.051 1.00 5.13 C ATOM 1721 CG ARG A 117 -2.982 2.344 13.926 1.00 74.12 C ATOM 1722 CD ARG A 117 -3.837 2.397 15.193 1.00 21.24 C ATOM 1723 NE ARG A 117 -5.270 2.394 14.880 1.00 43.41 N ATOM 1724 CZ ARG A 117 -6.256 2.840 15.678 1.00 25.00 C ATOM 1725 NH1 ARG A 117 -5.991 3.262 16.901 1.00 12.55 N ATOM 1726 NH2 ARG A 117 -7.510 2.806 15.255 1.00 43.04 N ATOM 0 H ARG A 117 -2.857 6.303 12.128 1.00 73.01 H new ATOM 0 HA ARG A 117 -2.894 4.902 14.708 1.00 63.54 H new ATOM 0 HB2 ARG A 117 -4.260 3.668 12.851 1.00 5.13 H new ATOM 0 HB3 ARG A 117 -2.705 3.394 12.092 1.00 5.13 H new ATOM 0 HG2 ARG A 117 -3.226 1.445 13.361 1.00 74.12 H new ATOM 0 HG3 ARG A 117 -1.930 2.272 14.201 1.00 74.12 H new ATOM 0 HD2 ARG A 117 -3.601 1.543 15.827 1.00 21.24 H new ATOM 0 HD3 ARG A 117 -3.590 3.294 15.761 1.00 21.24 H new ATOM 0 HE ARG A 117 -5.544 2.018 13.972 1.00 43.41 H new ATOM 0 HH11 ARG A 117 -5.032 3.251 17.248 1.00 12.55 H new ATOM 0 HH12 ARG A 117 -6.746 3.599 17.499 1.00 12.55 H new ATOM 0 HH21 ARG A 117 -7.725 2.442 14.327 1.00 43.04 H new ATOM 0 HH22 ARG A 117 -8.261 3.143 15.857 1.00 43.04 H new ATOM 1740 N ASN A 118 -0.440 4.846 14.539 1.00 64.32 N ATOM 1741 CA ASN A 118 1.017 4.988 14.541 1.00 62.12 C ATOM 1742 C ASN A 118 1.700 3.654 14.315 1.00 52.34 C ATOM 1743 O ASN A 118 2.816 3.581 13.809 1.00 55.22 O ATOM 1744 CB ASN A 118 1.484 5.594 15.856 1.00 5.40 C ATOM 1745 CG ASN A 118 1.055 7.041 16.036 1.00 25.01 C ATOM 1746 OD1 ASN A 118 0.739 7.462 17.151 1.00 72.12 O ATOM 1747 ND2 ASN A 118 1.097 7.837 14.981 1.00 3.01 N ATOM 0 H ASN A 118 -0.833 4.612 15.451 1.00 64.32 H new ATOM 0 HA ASN A 118 1.290 5.653 13.721 1.00 62.12 H new ATOM 0 HB2 ASN A 118 1.091 5.000 16.682 1.00 5.40 H new ATOM 0 HB3 ASN A 118 2.571 5.535 15.910 1.00 5.40 H new ATOM 0 HD21 ASN A 118 0.865 8.825 15.078 1.00 3.01 H new ATOM 0 HD22 ASN A 118 1.362 7.463 14.070 1.00 3.01 H new ATOM 1754 N ALA A 119 1.043 2.615 14.729 1.00 14.24 N ATOM 1755 CA ALA A 119 1.479 1.264 14.509 1.00 14.24 C ATOM 1756 C ALA A 119 0.237 0.450 14.263 1.00 35.10 C ATOM 1757 O ALA A 119 -0.745 0.593 14.988 1.00 53.34 O ATOM 1758 CB ALA A 119 2.239 0.734 15.721 1.00 71.32 C ATOM 0 H ALA A 119 0.165 2.681 15.243 1.00 14.24 H new ATOM 0 HA ALA A 119 2.161 1.207 13.661 1.00 14.24 H new ATOM 0 HB1 ALA A 119 2.559 -0.290 15.530 1.00 71.32 H new ATOM 0 HB2 ALA A 119 3.113 1.359 15.904 1.00 71.32 H new ATOM 0 HB3 ALA A 119 1.589 0.754 16.596 1.00 71.32 H new ATOM 1764 N GLN A 120 0.269 -0.390 13.286 1.00 54.11 N ATOM 1765 CA GLN A 120 -0.908 -1.119 12.878 1.00 63.43 C ATOM 1766 C GLN A 120 -0.583 -2.543 12.515 1.00 75.23 C ATOM 1767 O GLN A 120 0.469 -2.818 11.972 1.00 21.50 O ATOM 1768 CB GLN A 120 -1.561 -0.436 11.664 1.00 11.42 C ATOM 1769 CG GLN A 120 -2.766 -1.189 11.102 1.00 70.41 C ATOM 1770 CD GLN A 120 -3.972 -1.176 12.002 1.00 31.51 C ATOM 1771 OE1 GLN A 120 -3.862 -1.071 13.228 1.00 13.15 O ATOM 1772 NE2 GLN A 120 -5.107 -1.353 11.420 1.00 53.54 N ATOM 0 H GLN A 120 1.105 -0.599 12.741 1.00 54.11 H new ATOM 0 HA GLN A 120 -1.595 -1.122 13.724 1.00 63.43 H new ATOM 0 HB2 GLN A 120 -1.874 0.568 11.950 1.00 11.42 H new ATOM 0 HB3 GLN A 120 -0.815 -0.326 10.877 1.00 11.42 H new ATOM 0 HG2 GLN A 120 -3.038 -0.752 10.141 1.00 70.41 H new ATOM 0 HG3 GLN A 120 -2.479 -2.223 10.912 1.00 70.41 H new ATOM 0 HE21 GLN A 120 -5.152 -1.435 10.404 1.00 53.54 H new ATOM 0 HE22 GLN A 120 -5.961 -1.412 11.975 1.00 53.54 H new ATOM 1781 N VAL A 121 -1.483 -3.433 12.818 1.00 31.43 N ATOM 1782 CA VAL A 121 -1.361 -4.802 12.393 1.00 40.22 C ATOM 1783 C VAL A 121 -2.244 -4.884 11.170 1.00 23.11 C ATOM 1784 O VAL A 121 -3.427 -4.525 11.242 1.00 22.34 O ATOM 1785 CB VAL A 121 -1.861 -5.800 13.475 1.00 41.20 C ATOM 1786 CG1 VAL A 121 -1.678 -7.242 13.013 1.00 52.40 C ATOM 1787 CG2 VAL A 121 -1.139 -5.571 14.799 1.00 32.03 C ATOM 0 H VAL A 121 -2.321 -3.234 13.365 1.00 31.43 H new ATOM 0 HA VAL A 121 -0.322 -5.070 12.202 1.00 40.22 H new ATOM 0 HB VAL A 121 -2.925 -5.622 13.627 1.00 41.20 H new ATOM 0 HG11 VAL A 121 -2.035 -7.920 13.788 1.00 52.40 H new ATOM 0 HG12 VAL A 121 -2.246 -7.406 12.097 1.00 52.40 H new ATOM 0 HG13 VAL A 121 -0.622 -7.432 12.823 1.00 52.40 H new ATOM 0 HG21 VAL A 121 -1.505 -6.281 15.541 1.00 32.03 H new ATOM 0 HG22 VAL A 121 -0.068 -5.714 14.659 1.00 32.03 H new ATOM 0 HG23 VAL A 121 -1.327 -4.555 15.145 1.00 32.03 H new ATOM 1797 N MET A 122 -1.705 -5.314 10.064 1.00 52.34 N ATOM 1798 CA MET A 122 -2.462 -5.243 8.827 1.00 61.45 C ATOM 1799 C MET A 122 -3.309 -6.466 8.616 1.00 32.11 C ATOM 1800 O MET A 122 -2.945 -7.582 9.007 1.00 33.21 O ATOM 1801 CB MET A 122 -1.541 -5.087 7.622 1.00 11.02 C ATOM 1802 CG MET A 122 -0.498 -4.023 7.784 1.00 42.02 C ATOM 1803 SD MET A 122 0.425 -3.682 6.274 1.00 50.32 S ATOM 1804 CE MET A 122 -0.805 -2.761 5.352 1.00 24.12 C ATOM 0 H MET A 122 -0.768 -5.710 9.983 1.00 52.34 H new ATOM 0 HA MET A 122 -3.107 -4.369 8.918 1.00 61.45 H new ATOM 0 HB2 MET A 122 -1.047 -6.039 7.430 1.00 11.02 H new ATOM 0 HB3 MET A 122 -2.145 -4.859 6.744 1.00 11.02 H new ATOM 0 HG2 MET A 122 -0.977 -3.104 8.122 1.00 42.02 H new ATOM 0 HG3 MET A 122 0.199 -4.325 8.566 1.00 42.02 H new ATOM 0 HE1 MET A 122 -0.456 -2.610 4.331 1.00 24.12 H new ATOM 0 HE2 MET A 122 -1.741 -3.319 5.337 1.00 24.12 H new ATOM 0 HE3 MET A 122 -0.967 -1.793 5.827 1.00 24.12 H new ATOM 1814 N GLN A 123 -4.436 -6.229 8.010 1.00 3.34 N ATOM 1815 CA GLN A 123 -5.396 -7.229 7.657 1.00 5.32 C ATOM 1816 C GLN A 123 -5.685 -7.058 6.184 1.00 23.15 C ATOM 1817 O GLN A 123 -5.457 -5.981 5.636 1.00 12.02 O ATOM 1818 CB GLN A 123 -6.713 -7.021 8.422 1.00 71.34 C ATOM 1819 CG GLN A 123 -7.376 -5.681 8.115 1.00 5.11 C ATOM 1820 CD GLN A 123 -8.793 -5.584 8.601 1.00 54.25 C ATOM 1821 OE1 GLN A 123 -9.054 -5.165 9.717 1.00 33.23 O ATOM 1822 NE2 GLN A 123 -9.723 -5.972 7.763 1.00 44.43 N ATOM 0 H GLN A 123 -4.722 -5.289 7.737 1.00 3.34 H new ATOM 0 HA GLN A 123 -5.003 -8.217 7.897 1.00 5.32 H new ATOM 0 HB2 GLN A 123 -7.403 -7.827 8.172 1.00 71.34 H new ATOM 0 HB3 GLN A 123 -6.519 -7.087 9.493 1.00 71.34 H new ATOM 0 HG2 GLN A 123 -6.790 -4.883 8.570 1.00 5.11 H new ATOM 0 HG3 GLN A 123 -7.358 -5.515 7.038 1.00 5.11 H new ATOM 0 HE21 GLN A 123 -9.465 -6.316 6.838 1.00 44.43 H new ATOM 0 HE22 GLN A 123 -10.705 -5.929 8.036 1.00 44.43 H new ATOM 1831 N THR A 124 -6.143 -8.082 5.545 1.00 51.34 N ATOM 1832 CA THR A 124 -6.567 -7.941 4.185 1.00 51.52 C ATOM 1833 C THR A 124 -7.887 -7.120 4.197 1.00 22.50 C ATOM 1834 O THR A 124 -8.751 -7.327 5.068 1.00 65.10 O ATOM 1835 CB THR A 124 -6.706 -9.344 3.481 1.00 44.25 C ATOM 1836 OG1 THR A 124 -7.221 -9.234 2.143 1.00 13.23 O ATOM 1837 CG2 THR A 124 -7.548 -10.318 4.293 1.00 14.12 C ATOM 0 H THR A 124 -6.235 -9.020 5.935 1.00 51.34 H new ATOM 0 HA THR A 124 -5.824 -7.407 3.593 1.00 51.52 H new ATOM 0 HB THR A 124 -5.695 -9.746 3.420 1.00 44.25 H new ATOM 0 HG1 THR A 124 -7.289 -10.127 1.744 1.00 13.23 H new ATOM 0 HG21 THR A 124 -7.614 -11.270 3.766 1.00 14.12 H new ATOM 0 HG22 THR A 124 -7.085 -10.474 5.267 1.00 14.12 H new ATOM 0 HG23 THR A 124 -8.549 -9.908 4.428 1.00 14.12 H new ATOM 1845 N GLY A 125 -7.988 -6.138 3.333 1.00 31.23 N ATOM 1846 CA GLY A 125 -9.161 -5.294 3.310 1.00 34.45 C ATOM 1847 C GLY A 125 -8.929 -3.986 4.048 1.00 2.32 C ATOM 1848 O GLY A 125 -9.840 -3.166 4.174 1.00 51.30 O ATOM 0 H GLY A 125 -7.277 -5.904 2.640 1.00 31.23 H new ATOM 0 HA2 GLY A 125 -9.438 -5.084 2.277 1.00 34.45 H new ATOM 0 HA3 GLY A 125 -9.999 -5.824 3.763 1.00 34.45 H new ATOM 1852 N ASP A 126 -7.722 -3.815 4.575 1.00 61.31 N ATOM 1853 CA ASP A 126 -7.359 -2.604 5.322 1.00 41.41 C ATOM 1854 C ASP A 126 -7.187 -1.452 4.332 1.00 45.02 C ATOM 1855 O ASP A 126 -6.644 -1.649 3.242 1.00 12.35 O ATOM 1856 CB ASP A 126 -6.047 -2.826 6.103 1.00 71.21 C ATOM 1857 CG ASP A 126 -5.784 -1.773 7.169 1.00 65.02 C ATOM 1858 OD1 ASP A 126 -5.413 -0.641 6.828 1.00 10.24 O ATOM 1859 OD2 ASP A 126 -5.974 -2.088 8.378 1.00 62.54 O ATOM 0 H ASP A 126 -6.970 -4.501 4.501 1.00 61.31 H new ATOM 0 HA ASP A 126 -8.147 -2.367 6.037 1.00 41.41 H new ATOM 0 HB2 ASP A 126 -6.077 -3.808 6.575 1.00 71.21 H new ATOM 0 HB3 ASP A 126 -5.214 -2.835 5.401 1.00 71.21 H new ATOM 1864 N GLU A 127 -7.657 -0.285 4.687 1.00 35.42 N ATOM 1865 CA GLU A 127 -7.605 0.854 3.838 1.00 2.02 C ATOM 1866 C GLU A 127 -6.628 1.858 4.462 1.00 61.22 C ATOM 1867 O GLU A 127 -6.805 2.268 5.617 1.00 70.24 O ATOM 1868 CB GLU A 127 -8.990 1.435 3.884 1.00 70.51 C ATOM 1869 CG GLU A 127 -9.221 2.650 3.065 1.00 4.44 C ATOM 1870 CD GLU A 127 -9.574 2.350 1.631 1.00 12.14 C ATOM 1871 OE1 GLU A 127 -10.691 1.825 1.394 1.00 20.31 O ATOM 1872 OE2 GLU A 127 -8.823 2.716 0.717 1.00 32.41 O ATOM 0 H GLU A 127 -8.092 -0.107 5.592 1.00 35.42 H new ATOM 0 HA GLU A 127 -7.289 0.618 2.822 1.00 2.02 H new ATOM 0 HB2 GLU A 127 -9.694 0.667 3.563 1.00 70.51 H new ATOM 0 HB3 GLU A 127 -9.227 1.671 4.921 1.00 70.51 H new ATOM 0 HG2 GLU A 127 -10.024 3.234 3.514 1.00 4.44 H new ATOM 0 HG3 GLU A 127 -8.325 3.270 3.088 1.00 4.44 H new ATOM 1879 N ILE A 128 -5.663 2.288 3.708 1.00 72.42 N ATOM 1880 CA ILE A 128 -4.641 3.183 4.203 1.00 5.10 C ATOM 1881 C ILE A 128 -4.788 4.527 3.511 1.00 45.21 C ATOM 1882 O ILE A 128 -4.801 4.602 2.292 1.00 1.13 O ATOM 1883 CB ILE A 128 -3.170 2.642 3.975 1.00 73.21 C ATOM 1884 CG1 ILE A 128 -2.944 1.223 4.556 1.00 50.20 C ATOM 1885 CG2 ILE A 128 -2.145 3.593 4.578 1.00 2.24 C ATOM 1886 CD1 ILE A 128 -3.510 0.079 3.732 1.00 71.41 C ATOM 0 H ILE A 128 -5.554 2.032 2.727 1.00 72.42 H new ATOM 0 HA ILE A 128 -4.784 3.270 5.280 1.00 5.10 H new ATOM 0 HB ILE A 128 -3.040 2.582 2.894 1.00 73.21 H new ATOM 0 HG12 ILE A 128 -1.872 1.065 4.676 1.00 50.20 H new ATOM 0 HG13 ILE A 128 -3.385 1.183 5.552 1.00 50.20 H new ATOM 0 HG21 ILE A 128 -1.142 3.201 4.409 1.00 2.24 H new ATOM 0 HG22 ILE A 128 -2.236 4.572 4.108 1.00 2.24 H new ATOM 0 HG23 ILE A 128 -2.322 3.687 5.649 1.00 2.24 H new ATOM 0 HD11 ILE A 128 -3.296 -0.868 4.228 1.00 71.41 H new ATOM 0 HD12 ILE A 128 -4.589 0.201 3.633 1.00 71.41 H new ATOM 0 HD13 ILE A 128 -3.052 0.082 2.743 1.00 71.41 H new ATOM 1898 N GLN A 129 -4.885 5.563 4.282 1.00 65.11 N ATOM 1899 CA GLN A 129 -5.065 6.897 3.768 1.00 22.44 C ATOM 1900 C GLN A 129 -3.741 7.640 3.897 1.00 62.40 C ATOM 1901 O GLN A 129 -3.264 7.911 5.024 1.00 43.43 O ATOM 1902 CB GLN A 129 -6.126 7.609 4.594 1.00 1.31 C ATOM 1903 CG GLN A 129 -6.575 8.975 4.092 1.00 72.54 C ATOM 1904 CD GLN A 129 -7.357 8.931 2.801 1.00 0.45 C ATOM 1905 OE1 GLN A 129 -8.038 7.963 2.491 1.00 65.21 O ATOM 1906 NE2 GLN A 129 -7.294 9.993 2.064 1.00 52.32 N ATOM 0 H GLN A 129 -4.842 5.513 5.300 1.00 65.11 H new ATOM 0 HA GLN A 129 -5.379 6.865 2.725 1.00 22.44 H new ATOM 0 HB2 GLN A 129 -7.002 6.963 4.654 1.00 1.31 H new ATOM 0 HB3 GLN A 129 -5.746 7.726 5.609 1.00 1.31 H new ATOM 0 HG2 GLN A 129 -7.187 9.449 4.859 1.00 72.54 H new ATOM 0 HG3 GLN A 129 -5.697 9.605 3.951 1.00 72.54 H new ATOM 0 HE21 GLN A 129 -6.716 10.781 2.354 1.00 52.32 H new ATOM 0 HE22 GLN A 129 -7.823 10.042 1.193 1.00 52.32 H new ATOM 1915 N ILE A 130 -3.141 7.921 2.775 1.00 71.11 N ATOM 1916 CA ILE A 130 -1.892 8.646 2.707 1.00 74.10 C ATOM 1917 C ILE A 130 -2.193 9.962 2.031 1.00 34.24 C ATOM 1918 O ILE A 130 -2.560 9.992 0.855 1.00 45.42 O ATOM 1919 CB ILE A 130 -0.806 7.874 1.891 1.00 71.24 C ATOM 1920 CG1 ILE A 130 -0.506 6.494 2.517 1.00 73.24 C ATOM 1921 CG2 ILE A 130 0.479 8.695 1.753 1.00 25.02 C ATOM 1922 CD1 ILE A 130 0.019 6.532 3.941 1.00 35.52 C ATOM 0 H ILE A 130 -3.508 7.650 1.863 1.00 71.11 H new ATOM 0 HA ILE A 130 -1.491 8.781 3.712 1.00 74.10 H new ATOM 0 HB ILE A 130 -1.210 7.711 0.892 1.00 71.24 H new ATOM 0 HG12 ILE A 130 -1.419 5.898 2.499 1.00 73.24 H new ATOM 0 HG13 ILE A 130 0.223 5.979 1.891 1.00 73.24 H new ATOM 0 HG21 ILE A 130 1.213 8.128 1.180 1.00 25.02 H new ATOM 0 HG22 ILE A 130 0.260 9.630 1.238 1.00 25.02 H new ATOM 0 HG23 ILE A 130 0.880 8.912 2.743 1.00 25.02 H new ATOM 0 HD11 ILE A 130 0.198 5.515 4.290 1.00 35.52 H new ATOM 0 HD12 ILE A 130 0.952 7.095 3.970 1.00 35.52 H new ATOM 0 HD13 ILE A 130 -0.716 7.013 4.587 1.00 35.52 H new ATOM 1934 N GLY A 131 -2.080 11.035 2.764 1.00 1.34 N ATOM 1935 CA GLY A 131 -2.464 12.309 2.228 1.00 60.43 C ATOM 1936 C GLY A 131 -3.960 12.325 2.029 1.00 2.30 C ATOM 1937 O GLY A 131 -4.718 11.985 2.943 1.00 62.11 O ATOM 0 H GLY A 131 -1.730 11.053 3.722 1.00 1.34 H new ATOM 0 HA2 GLY A 131 -2.165 13.109 2.906 1.00 60.43 H new ATOM 0 HA3 GLY A 131 -1.956 12.488 1.280 1.00 60.43 H new ATOM 1941 N LYS A 132 -4.393 12.657 0.842 1.00 45.50 N ATOM 1942 CA LYS A 132 -5.808 12.630 0.536 1.00 1.24 C ATOM 1943 C LYS A 132 -6.101 11.501 -0.443 1.00 11.44 C ATOM 1944 O LYS A 132 -7.166 11.449 -1.066 1.00 35.54 O ATOM 1945 CB LYS A 132 -6.290 13.978 -0.011 1.00 50.24 C ATOM 1946 CG LYS A 132 -5.638 14.392 -1.314 1.00 11.23 C ATOM 1947 CD LYS A 132 -6.116 15.754 -1.811 1.00 51.21 C ATOM 1948 CE LYS A 132 -7.593 15.795 -2.273 1.00 71.52 C ATOM 1949 NZ LYS A 132 -8.604 15.781 -1.174 1.00 43.41 N ATOM 0 H LYS A 132 -3.793 12.949 0.070 1.00 45.50 H new ATOM 0 HA LYS A 132 -6.358 12.446 1.459 1.00 1.24 H new ATOM 0 HB2 LYS A 132 -7.369 13.933 -0.157 1.00 50.24 H new ATOM 0 HB3 LYS A 132 -6.102 14.748 0.737 1.00 50.24 H new ATOM 0 HG2 LYS A 132 -4.556 14.419 -1.181 1.00 11.23 H new ATOM 0 HG3 LYS A 132 -5.847 13.640 -2.074 1.00 11.23 H new ATOM 0 HD2 LYS A 132 -5.979 16.484 -1.014 1.00 51.21 H new ATOM 0 HD3 LYS A 132 -5.482 16.065 -2.641 1.00 51.21 H new ATOM 0 HE2 LYS A 132 -7.744 16.692 -2.873 1.00 71.52 H new ATOM 0 HE3 LYS A 132 -7.777 14.941 -2.925 1.00 71.52 H new ATOM 0 HZ1 LYS A 132 -9.336 16.494 -1.367 1.00 43.41 H new ATOM 0 HZ2 LYS A 132 -9.043 14.840 -1.118 1.00 43.41 H new ATOM 0 HZ3 LYS A 132 -8.138 15.999 -0.270 1.00 43.41 H new ATOM 1963 N PHE A 133 -5.180 10.577 -0.548 1.00 24.24 N ATOM 1964 CA PHE A 133 -5.366 9.451 -1.406 1.00 21.51 C ATOM 1965 C PHE A 133 -5.298 8.161 -0.600 1.00 1.13 C ATOM 1966 O PHE A 133 -4.831 8.170 0.536 1.00 70.22 O ATOM 1967 CB PHE A 133 -4.426 9.485 -2.614 1.00 43.21 C ATOM 1968 CG PHE A 133 -2.951 9.502 -2.344 1.00 42.52 C ATOM 1969 CD1 PHE A 133 -2.241 8.318 -2.236 1.00 31.44 C ATOM 1970 CD2 PHE A 133 -2.269 10.701 -2.240 1.00 32.52 C ATOM 1971 CE1 PHE A 133 -0.883 8.331 -2.021 1.00 22.33 C ATOM 1972 CE2 PHE A 133 -0.912 10.720 -2.030 1.00 21.41 C ATOM 1973 CZ PHE A 133 -0.215 9.534 -1.919 1.00 72.32 C ATOM 0 H PHE A 133 -4.293 10.589 -0.045 1.00 24.24 H new ATOM 0 HA PHE A 133 -6.366 9.497 -1.838 1.00 21.51 H new ATOM 0 HB2 PHE A 133 -4.644 8.616 -3.234 1.00 43.21 H new ATOM 0 HB3 PHE A 133 -4.670 10.368 -3.205 1.00 43.21 H new ATOM 0 HD1 PHE A 133 -2.759 7.374 -2.322 1.00 31.44 H new ATOM 0 HD2 PHE A 133 -2.810 11.632 -2.325 1.00 32.52 H new ATOM 0 HE1 PHE A 133 -0.340 7.401 -1.932 1.00 22.33 H new ATOM 0 HE2 PHE A 133 -0.391 11.663 -1.952 1.00 21.41 H new ATOM 0 HZ PHE A 133 0.852 9.548 -1.753 1.00 72.32 H new ATOM 1983 N ARG A 134 -5.731 7.061 -1.173 1.00 33.23 N ATOM 1984 CA ARG A 134 -5.921 5.854 -0.385 1.00 54.31 C ATOM 1985 C ARG A 134 -5.411 4.604 -1.091 1.00 65.24 C ATOM 1986 O ARG A 134 -5.471 4.484 -2.340 1.00 13.22 O ATOM 1987 CB ARG A 134 -7.403 5.721 -0.033 1.00 61.14 C ATOM 1988 CG ARG A 134 -8.286 5.605 -1.255 1.00 43.00 C ATOM 1989 CD ARG A 134 -9.738 5.861 -0.949 1.00 30.55 C ATOM 1990 NE ARG A 134 -10.342 4.889 -0.049 1.00 32.51 N ATOM 1991 CZ ARG A 134 -11.548 5.051 0.502 1.00 14.23 C ATOM 1992 NH1 ARG A 134 -12.162 6.216 0.387 1.00 45.43 N ATOM 1993 NH2 ARG A 134 -12.121 4.067 1.188 1.00 64.40 N ATOM 0 H ARG A 134 -5.956 6.972 -2.164 1.00 33.23 H new ATOM 0 HA ARG A 134 -5.329 5.945 0.526 1.00 54.31 H new ATOM 0 HB2 ARG A 134 -7.545 4.843 0.597 1.00 61.14 H new ATOM 0 HB3 ARG A 134 -7.712 6.587 0.552 1.00 61.14 H new ATOM 0 HG2 ARG A 134 -7.948 6.314 -2.011 1.00 43.00 H new ATOM 0 HG3 ARG A 134 -8.179 4.608 -1.682 1.00 43.00 H new ATOM 0 HD2 ARG A 134 -9.835 6.854 -0.510 1.00 30.55 H new ATOM 0 HD3 ARG A 134 -10.298 5.870 -1.884 1.00 30.55 H new ATOM 0 HE ARG A 134 -9.818 4.042 0.172 1.00 32.51 H new ATOM 0 HH11 ARG A 134 -11.715 6.981 -0.119 1.00 45.43 H new ATOM 0 HH12 ARG A 134 -13.083 6.350 0.804 1.00 45.43 H new ATOM 0 HH21 ARG A 134 -11.639 3.175 1.299 1.00 64.40 H new ATOM 0 HH22 ARG A 134 -13.042 4.204 1.604 1.00 64.40 H new ATOM 2007 N LEU A 135 -4.923 3.696 -0.295 1.00 12.31 N ATOM 2008 CA LEU A 135 -4.389 2.436 -0.728 1.00 25.33 C ATOM 2009 C LEU A 135 -5.197 1.350 -0.069 1.00 14.14 C ATOM 2010 O LEU A 135 -5.529 1.459 1.097 1.00 0.44 O ATOM 2011 CB LEU A 135 -2.914 2.248 -0.283 1.00 43.35 C ATOM 2012 CG LEU A 135 -1.844 3.247 -0.769 1.00 31.43 C ATOM 2013 CD1 LEU A 135 -1.861 3.399 -2.260 1.00 20.12 C ATOM 2014 CD2 LEU A 135 -1.938 4.594 -0.071 1.00 53.42 C ATOM 0 H LEU A 135 -4.885 3.819 0.717 1.00 12.31 H new ATOM 0 HA LEU A 135 -4.433 2.399 -1.816 1.00 25.33 H new ATOM 0 HB2 LEU A 135 -2.898 2.255 0.807 1.00 43.35 H new ATOM 0 HB3 LEU A 135 -2.601 1.253 -0.600 1.00 43.35 H new ATOM 0 HG LEU A 135 -0.880 2.820 -0.492 1.00 31.43 H new ATOM 0 HD11 LEU A 135 -1.093 4.111 -2.562 1.00 20.12 H new ATOM 0 HD12 LEU A 135 -1.665 2.434 -2.726 1.00 20.12 H new ATOM 0 HD13 LEU A 135 -2.838 3.763 -2.577 1.00 20.12 H new ATOM 0 HD21 LEU A 135 -1.161 5.257 -0.453 1.00 53.42 H new ATOM 0 HD22 LEU A 135 -2.917 5.035 -0.261 1.00 53.42 H new ATOM 0 HD23 LEU A 135 -1.804 4.458 1.002 1.00 53.42 H new ATOM 2026 N VAL A 136 -5.487 0.320 -0.783 1.00 73.11 N ATOM 2027 CA VAL A 136 -6.246 -0.781 -0.227 1.00 61.41 C ATOM 2028 C VAL A 136 -5.326 -1.978 -0.129 1.00 71.51 C ATOM 2029 O VAL A 136 -4.753 -2.415 -1.139 1.00 41.41 O ATOM 2030 CB VAL A 136 -7.469 -1.146 -1.114 1.00 23.24 C ATOM 2031 CG1 VAL A 136 -8.305 -2.251 -0.473 1.00 65.10 C ATOM 2032 CG2 VAL A 136 -8.327 0.076 -1.383 1.00 62.32 C ATOM 0 H VAL A 136 -5.216 0.202 -1.759 1.00 73.11 H new ATOM 0 HA VAL A 136 -6.626 -0.489 0.752 1.00 61.41 H new ATOM 0 HB VAL A 136 -7.087 -1.516 -2.065 1.00 23.24 H new ATOM 0 HG11 VAL A 136 -9.153 -2.485 -1.116 1.00 65.10 H new ATOM 0 HG12 VAL A 136 -7.691 -3.142 -0.343 1.00 65.10 H new ATOM 0 HG13 VAL A 136 -8.668 -1.916 0.499 1.00 65.10 H new ATOM 0 HG21 VAL A 136 -9.176 -0.206 -2.006 1.00 62.32 H new ATOM 0 HG22 VAL A 136 -8.689 0.482 -0.438 1.00 62.32 H new ATOM 0 HG23 VAL A 136 -7.734 0.831 -1.899 1.00 62.32 H new ATOM 2042 N PHE A 137 -5.148 -2.473 1.065 1.00 61.32 N ATOM 2043 CA PHE A 137 -4.276 -3.590 1.305 1.00 40.33 C ATOM 2044 C PHE A 137 -5.057 -4.872 1.156 1.00 42.25 C ATOM 2045 O PHE A 137 -6.093 -5.061 1.784 1.00 33.23 O ATOM 2046 CB PHE A 137 -3.661 -3.487 2.694 1.00 41.52 C ATOM 2047 CG PHE A 137 -2.639 -4.540 3.005 1.00 42.33 C ATOM 2048 CD1 PHE A 137 -1.386 -4.500 2.417 1.00 40.53 C ATOM 2049 CD2 PHE A 137 -2.915 -5.545 3.913 1.00 12.21 C ATOM 2050 CE1 PHE A 137 -0.434 -5.441 2.731 1.00 12.34 C ATOM 2051 CE2 PHE A 137 -1.969 -6.492 4.226 1.00 54.02 C ATOM 2052 CZ PHE A 137 -0.727 -6.438 3.637 1.00 43.22 C ATOM 0 H PHE A 137 -5.605 -2.112 1.902 1.00 61.32 H new ATOM 0 HA PHE A 137 -3.465 -3.584 0.577 1.00 40.33 H new ATOM 0 HB2 PHE A 137 -3.197 -2.507 2.799 1.00 41.52 H new ATOM 0 HB3 PHE A 137 -4.458 -3.543 3.435 1.00 41.52 H new ATOM 0 HD1 PHE A 137 -1.154 -3.722 1.705 1.00 40.53 H new ATOM 0 HD2 PHE A 137 -3.887 -5.587 4.383 1.00 12.21 H new ATOM 0 HE1 PHE A 137 0.541 -5.399 2.269 1.00 12.34 H new ATOM 0 HE2 PHE A 137 -2.200 -7.276 4.932 1.00 54.02 H new ATOM 0 HZ PHE A 137 0.020 -7.178 3.885 1.00 43.22 H new ATOM 2062 N LEU A 138 -4.561 -5.733 0.344 1.00 11.11 N ATOM 2063 CA LEU A 138 -5.206 -6.965 -0.003 1.00 11.13 C ATOM 2064 C LEU A 138 -4.223 -8.094 0.136 1.00 52.32 C ATOM 2065 O LEU A 138 -3.008 -7.868 0.201 1.00 51.35 O ATOM 2066 CB LEU A 138 -5.739 -6.911 -1.441 1.00 72.02 C ATOM 2067 CG LEU A 138 -6.797 -5.842 -1.739 1.00 22.54 C ATOM 2068 CD1 LEU A 138 -7.147 -5.838 -3.217 1.00 55.01 C ATOM 2069 CD2 LEU A 138 -8.051 -6.077 -0.904 1.00 41.43 C ATOM 0 H LEU A 138 -3.662 -5.602 -0.119 1.00 11.11 H new ATOM 0 HA LEU A 138 -6.049 -7.125 0.669 1.00 11.13 H new ATOM 0 HB2 LEU A 138 -4.895 -6.752 -2.112 1.00 72.02 H new ATOM 0 HB3 LEU A 138 -6.161 -7.886 -1.685 1.00 72.02 H new ATOM 0 HG LEU A 138 -6.381 -4.870 -1.474 1.00 22.54 H new ATOM 0 HD11 LEU A 138 -7.899 -5.073 -3.411 1.00 55.01 H new ATOM 0 HD12 LEU A 138 -6.253 -5.624 -3.802 1.00 55.01 H new ATOM 0 HD13 LEU A 138 -7.541 -6.814 -3.500 1.00 55.01 H new ATOM 0 HD21 LEU A 138 -8.789 -5.307 -1.131 1.00 41.43 H new ATOM 0 HD22 LEU A 138 -8.466 -7.057 -1.138 1.00 41.43 H new ATOM 0 HD23 LEU A 138 -7.796 -6.034 0.155 1.00 41.43 H new ATOM 2081 N ALA A 139 -4.723 -9.300 0.211 1.00 52.11 N ATOM 2082 CA ALA A 139 -3.855 -10.441 0.287 1.00 5.15 C ATOM 2083 C ALA A 139 -3.233 -10.621 -1.086 1.00 63.11 C ATOM 2084 O ALA A 139 -3.846 -10.261 -2.103 1.00 72.13 O ATOM 2085 CB ALA A 139 -4.638 -11.682 0.697 1.00 22.14 C ATOM 0 H ALA A 139 -5.720 -9.515 0.221 1.00 52.11 H new ATOM 0 HA ALA A 139 -3.081 -10.290 1.039 1.00 5.15 H new ATOM 0 HB1 ALA A 139 -3.964 -12.537 0.749 1.00 22.14 H new ATOM 0 HB2 ALA A 139 -5.093 -11.519 1.674 1.00 22.14 H new ATOM 0 HB3 ALA A 139 -5.418 -11.880 -0.038 1.00 22.14 H new ATOM 2091 N GLY A 140 -2.017 -11.113 -1.109 1.00 41.23 N ATOM 2092 CA GLY A 140 -1.263 -11.169 -2.330 1.00 1.32 C ATOM 2093 C GLY A 140 -1.654 -12.290 -3.248 1.00 31.31 C ATOM 2094 O GLY A 140 -2.741 -12.875 -3.106 1.00 64.20 O ATOM 0 H GLY A 140 -1.531 -11.480 -0.291 1.00 41.23 H new ATOM 0 HA2 GLY A 140 -1.381 -10.224 -2.860 1.00 1.32 H new ATOM 0 HA3 GLY A 140 -0.205 -11.268 -2.086 1.00 1.32 H new ATOM 2098 N PRO A 141 -0.769 -12.633 -4.193 1.00 42.11 N ATOM 2099 CA PRO A 141 -1.037 -13.658 -5.174 1.00 61.52 C ATOM 2100 C PRO A 141 -1.241 -15.015 -4.532 1.00 61.40 C ATOM 2101 O PRO A 141 -0.603 -15.361 -3.535 1.00 21.22 O ATOM 2102 CB PRO A 141 0.208 -13.679 -6.070 1.00 42.34 C ATOM 2103 CG PRO A 141 0.919 -12.402 -5.778 1.00 40.13 C ATOM 2104 CD PRO A 141 0.579 -12.056 -4.362 1.00 74.43 C ATOM 0 HA PRO A 141 -1.953 -13.446 -5.725 1.00 61.52 H new ATOM 0 HB2 PRO A 141 0.838 -14.540 -5.849 1.00 42.34 H new ATOM 0 HB3 PRO A 141 -0.065 -13.746 -7.123 1.00 42.34 H new ATOM 0 HG2 PRO A 141 1.996 -12.517 -5.904 1.00 40.13 H new ATOM 0 HG3 PRO A 141 0.601 -11.613 -6.460 1.00 40.13 H new ATOM 0 HD2 PRO A 141 1.293 -12.486 -3.659 1.00 74.43 H new ATOM 0 HD3 PRO A 141 0.580 -10.978 -4.199 1.00 74.43 H new ATOM 2112 N ALA A 142 -2.123 -15.754 -5.100 1.00 52.55 N ATOM 2113 CA ALA A 142 -2.465 -17.073 -4.644 1.00 71.34 C ATOM 2114 C ALA A 142 -2.049 -18.063 -5.713 1.00 34.31 C ATOM 2115 O ALA A 142 -2.660 -19.116 -5.890 1.00 1.10 O ATOM 2116 CB ALA A 142 -3.964 -17.136 -4.396 1.00 72.31 C ATOM 0 H ALA A 142 -2.650 -15.458 -5.922 1.00 52.55 H new ATOM 0 HA ALA A 142 -1.953 -17.315 -3.713 1.00 71.34 H new ATOM 0 HB1 ALA A 142 -4.234 -18.134 -4.049 1.00 72.31 H new ATOM 0 HB2 ALA A 142 -4.239 -16.402 -3.638 1.00 72.31 H new ATOM 0 HB3 ALA A 142 -4.496 -16.918 -5.322 1.00 72.31 H new ATOM 2122 N GLU A 143 -0.986 -17.710 -6.399 1.00 62.14 N ATOM 2123 CA GLU A 143 -0.448 -18.474 -7.499 1.00 62.10 C ATOM 2124 C GLU A 143 0.135 -19.789 -6.977 1.00 43.05 C ATOM 2125 O GLU A 143 1.251 -19.784 -6.441 1.00 37.75 O ATOM 2126 CB GLU A 143 0.625 -17.636 -8.210 1.00 31.30 C ATOM 2127 CG GLU A 143 1.071 -18.176 -9.555 1.00 63.23 C ATOM 2128 CD GLU A 143 -0.080 -18.290 -10.524 1.00 51.34 C ATOM 2129 OE1 GLU A 143 -0.645 -17.246 -10.930 1.00 43.21 O ATOM 2130 OE2 GLU A 143 -0.449 -19.411 -10.888 1.00 62.51 O ATOM 2131 OXT GLU A 143 -0.538 -20.826 -7.065 1.00 37.75 O ATOM 0 H GLU A 143 -0.458 -16.860 -6.201 1.00 62.14 H new ATOM 0 HA GLU A 143 -1.236 -18.714 -8.213 1.00 62.10 H new ATOM 0 HB2 GLU A 143 0.242 -16.625 -8.350 1.00 31.30 H new ATOM 0 HB3 GLU A 143 1.496 -17.560 -7.559 1.00 31.30 H new ATOM 0 HG2 GLU A 143 1.835 -17.521 -9.974 1.00 63.23 H new ATOM 0 HG3 GLU A 143 1.530 -19.155 -9.419 1.00 63.23 H new