USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 675 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 92 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 105 HIS : no HD1:sc= -0.0484 X(o=-0.048,f=-0.0074) USER MOD Single : A 19 THR OG1 : rot -38:sc= 0.0481! USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 42:sc= -0.0579 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0986 X(o=-0.099,f=-0.16) USER MOD Single : A 38 TYR OH : rot -123:sc= -0.169 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1 K(o=-1,f=-2.2) USER MOD Single : A 51 MET CE :methyl -152:sc= -0.154 (180deg=-1.55) USER MOD Single : A 55 MET CE :methyl 160:sc= -0.216 (180deg=-0.537) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 149:sc= -2.68! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0478 USER MOD Single : A 66 THR OG1 : rot -130:sc= 0.127 USER MOD Single : A 68 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.24) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.00304 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.5!) USER MOD Single : A 78 SER OG : rot 70:sc= 1 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -120:sc= -0.0795 (180deg=-0.386) USER MOD Single : A 81 MET CE :methyl -160:sc= -0.0369 (180deg=-0.29) USER MOD Single : A 91 SER OG : rot 13:sc= 1.23 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 HIS :FLIP no HD1:sc= -1.48 F(o=-2.8,f=-1.5) USER MOD Single : A 107 HIS : no HD1:sc= -0.27 K(o=-0.27,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 256 N ALA A 17 16.521 -24.786 -23.185 1.00 20.34 N ATOM 257 CA ALA A 17 16.995 -23.552 -23.797 1.00 3.50 C ATOM 258 C ALA A 17 15.842 -22.764 -24.410 1.00 31.34 C ATOM 259 O ALA A 17 15.094 -23.283 -25.239 1.00 22.22 O ATOM 260 CB ALA A 17 18.048 -23.856 -24.852 1.00 62.22 C ATOM 0 HA ALA A 17 17.445 -22.939 -23.016 1.00 3.50 H new ATOM 0 HB1 ALA A 17 18.393 -22.924 -25.301 1.00 62.22 H new ATOM 0 HB2 ALA A 17 18.890 -24.369 -24.388 1.00 62.22 H new ATOM 0 HB3 ALA A 17 17.616 -24.493 -25.624 1.00 62.22 H new ATOM 266 N PHE A 18 15.703 -21.509 -23.996 1.00 35.22 N ATOM 267 CA PHE A 18 14.639 -20.650 -24.504 1.00 21.43 C ATOM 268 C PHE A 18 15.217 -19.463 -25.267 1.00 42.44 C ATOM 269 O PHE A 18 16.407 -19.163 -25.165 1.00 65.13 O ATOM 270 CB PHE A 18 13.763 -20.153 -23.352 1.00 75.14 C ATOM 271 CG PHE A 18 14.540 -19.496 -22.248 1.00 13.21 C ATOM 272 CD1 PHE A 18 14.715 -18.122 -22.229 1.00 14.53 C ATOM 273 CD2 PHE A 18 15.096 -20.253 -21.229 1.00 50.51 C ATOM 274 CE1 PHE A 18 15.429 -17.513 -21.214 1.00 30.55 C ATOM 275 CE2 PHE A 18 15.811 -19.650 -20.211 1.00 71.02 C ATOM 276 CZ PHE A 18 15.979 -18.279 -20.204 1.00 73.00 C ATOM 0 H PHE A 18 16.313 -21.064 -23.310 1.00 35.22 H new ATOM 0 HA PHE A 18 14.028 -21.237 -25.189 1.00 21.43 H new ATOM 0 HB2 PHE A 18 13.032 -19.445 -23.742 1.00 75.14 H new ATOM 0 HB3 PHE A 18 13.205 -20.994 -22.942 1.00 75.14 H new ATOM 0 HD1 PHE A 18 14.288 -17.519 -23.017 1.00 14.53 H new ATOM 0 HD2 PHE A 18 14.969 -21.326 -21.230 1.00 50.51 H new ATOM 0 HE1 PHE A 18 15.557 -16.441 -21.210 1.00 30.55 H new ATOM 0 HE2 PHE A 18 16.238 -20.251 -19.422 1.00 71.02 H new ATOM 0 HZ PHE A 18 16.539 -17.807 -19.411 1.00 73.00 H new ATOM 286 N THR A 19 14.366 -18.788 -26.034 1.00 72.53 N ATOM 287 CA THR A 19 14.791 -17.635 -26.817 1.00 72.24 C ATOM 288 C THR A 19 13.600 -16.769 -27.211 1.00 11.54 C ATOM 289 O THR A 19 12.506 -17.275 -27.459 1.00 73.32 O ATOM 290 CB THR A 19 15.540 -18.067 -28.092 1.00 41.10 C ATOM 291 OG1 THR A 19 16.331 -19.231 -27.825 1.00 54.41 O ATOM 292 CG2 THR A 19 16.434 -16.946 -28.600 1.00 42.11 C ATOM 0 H THR A 19 13.377 -19.021 -26.129 1.00 72.53 H new ATOM 0 HA THR A 19 15.466 -17.056 -26.186 1.00 72.24 H new ATOM 0 HB THR A 19 14.802 -18.298 -28.860 1.00 41.10 H new ATOM 0 HG1 THR A 19 16.725 -19.161 -26.930 1.00 54.41 H new ATOM 0 HG21 THR A 19 16.953 -17.274 -29.501 1.00 42.11 H new ATOM 0 HG22 THR A 19 15.826 -16.071 -28.830 1.00 42.11 H new ATOM 0 HG23 THR A 19 17.165 -16.688 -27.834 1.00 42.11 H new ATOM 300 N PHE A 20 13.820 -15.459 -27.266 1.00 34.10 N ATOM 301 CA PHE A 20 12.764 -14.521 -27.630 1.00 33.44 C ATOM 302 C PHE A 20 12.121 -14.914 -28.957 1.00 33.25 C ATOM 303 O PHE A 20 12.805 -15.322 -29.895 1.00 63.44 O ATOM 304 CB PHE A 20 13.324 -13.101 -27.722 1.00 52.42 C ATOM 305 CG PHE A 20 13.638 -12.492 -26.386 1.00 3.14 C ATOM 306 CD1 PHE A 20 12.667 -12.409 -25.401 1.00 73.42 C ATOM 307 CD2 PHE A 20 14.905 -12.002 -26.114 1.00 5.33 C ATOM 308 CE1 PHE A 20 12.953 -11.850 -24.170 1.00 31.21 C ATOM 309 CE2 PHE A 20 15.198 -11.442 -24.884 1.00 54.03 C ATOM 310 CZ PHE A 20 14.220 -11.365 -23.912 1.00 12.13 C ATOM 0 H PHE A 20 14.720 -15.023 -27.063 1.00 34.10 H new ATOM 0 HA PHE A 20 12.000 -14.553 -26.853 1.00 33.44 H new ATOM 0 HB2 PHE A 20 14.230 -13.115 -28.328 1.00 52.42 H new ATOM 0 HB3 PHE A 20 12.604 -12.468 -28.240 1.00 52.42 H new ATOM 0 HD1 PHE A 20 11.674 -12.786 -25.598 1.00 73.42 H new ATOM 0 HD2 PHE A 20 15.673 -12.058 -26.871 1.00 5.33 H new ATOM 0 HE1 PHE A 20 12.187 -11.793 -23.411 1.00 31.21 H new ATOM 0 HE2 PHE A 20 16.190 -11.065 -24.684 1.00 54.03 H new ATOM 0 HZ PHE A 20 14.446 -10.926 -22.951 1.00 12.13 H new ATOM 320 N THR A 21 10.799 -14.789 -29.027 1.00 41.31 N ATOM 321 CA THR A 21 10.062 -15.132 -30.237 1.00 2.13 C ATOM 322 C THR A 21 9.311 -13.924 -30.784 1.00 42.35 C ATOM 323 O THR A 21 9.159 -13.771 -31.997 1.00 24.03 O ATOM 324 CB THR A 21 9.059 -16.272 -29.979 1.00 21.00 C ATOM 325 OG1 THR A 21 8.156 -16.389 -31.084 1.00 61.32 O ATOM 326 CG2 THR A 21 8.274 -16.023 -28.700 1.00 73.12 C ATOM 0 H THR A 21 10.217 -14.453 -28.260 1.00 41.31 H new ATOM 0 HA THR A 21 10.796 -15.463 -30.971 1.00 2.13 H new ATOM 0 HB THR A 21 9.619 -17.201 -29.868 1.00 21.00 H new ATOM 0 HG1 THR A 21 7.522 -17.117 -30.913 1.00 61.32 H new ATOM 0 HG21 THR A 21 7.572 -16.841 -28.539 1.00 73.12 H new ATOM 0 HG22 THR A 21 8.962 -15.964 -27.857 1.00 73.12 H new ATOM 0 HG23 THR A 21 7.725 -15.086 -28.787 1.00 73.12 H new ATOM 334 N LYS A 22 8.843 -13.066 -29.884 1.00 40.02 N ATOM 335 CA LYS A 22 8.110 -11.868 -30.277 1.00 22.13 C ATOM 336 C LYS A 22 8.704 -10.627 -29.618 1.00 41.13 C ATOM 337 O LYS A 22 8.560 -10.424 -28.412 1.00 52.44 O ATOM 338 CB LYS A 22 6.633 -12.002 -29.899 1.00 4.15 C ATOM 339 CG LYS A 22 5.694 -11.284 -30.852 1.00 11.11 C ATOM 340 CD LYS A 22 5.613 -11.992 -32.194 1.00 33.33 C ATOM 341 CE LYS A 22 4.273 -11.750 -32.872 1.00 32.24 C ATOM 342 NZ LYS A 22 4.162 -10.363 -33.401 1.00 51.14 N ATOM 0 H LYS A 22 8.958 -13.178 -28.877 1.00 40.02 H new ATOM 0 HA LYS A 22 8.193 -11.759 -31.358 1.00 22.13 H new ATOM 0 HB2 LYS A 22 6.369 -13.059 -29.869 1.00 4.15 H new ATOM 0 HB3 LYS A 22 6.487 -11.609 -28.893 1.00 4.15 H new ATOM 0 HG2 LYS A 22 4.700 -11.226 -30.410 1.00 11.11 H new ATOM 0 HG3 LYS A 22 6.037 -10.260 -31.000 1.00 11.11 H new ATOM 0 HD2 LYS A 22 6.418 -11.642 -32.841 1.00 33.33 H new ATOM 0 HD3 LYS A 22 5.762 -13.062 -32.051 1.00 33.33 H new ATOM 0 HE2 LYS A 22 4.145 -12.461 -33.688 1.00 32.24 H new ATOM 0 HE3 LYS A 22 3.468 -11.933 -32.161 1.00 32.24 H new ATOM 0 HZ1 LYS A 22 3.235 -10.238 -33.855 1.00 51.14 H new ATOM 0 HZ2 LYS A 22 4.259 -9.684 -32.619 1.00 51.14 H new ATOM 0 HZ3 LYS A 22 4.915 -10.196 -34.099 1.00 51.14 H new ATOM 356 N ILE A 23 9.370 -9.800 -30.417 1.00 60.23 N ATOM 357 CA ILE A 23 9.983 -8.578 -29.912 1.00 21.34 C ATOM 358 C ILE A 23 8.961 -7.710 -29.186 1.00 51.34 C ATOM 359 O ILE A 23 7.855 -7.471 -29.673 1.00 23.30 O ATOM 360 CB ILE A 23 10.624 -7.758 -31.047 1.00 33.21 C ATOM 361 CG1 ILE A 23 11.646 -8.608 -31.805 1.00 10.50 C ATOM 362 CG2 ILE A 23 11.279 -6.503 -30.489 1.00 72.43 C ATOM 363 CD1 ILE A 23 12.824 -9.034 -30.958 1.00 3.12 C ATOM 0 H ILE A 23 9.499 -9.954 -31.417 1.00 60.23 H new ATOM 0 HA ILE A 23 10.761 -8.882 -29.212 1.00 21.34 H new ATOM 0 HB ILE A 23 9.842 -7.456 -31.744 1.00 33.21 H new ATOM 0 HG12 ILE A 23 11.150 -9.496 -32.196 1.00 10.50 H new ATOM 0 HG13 ILE A 23 12.011 -8.044 -32.663 1.00 10.50 H new ATOM 0 HG21 ILE A 23 11.728 -5.934 -31.303 1.00 72.43 H new ATOM 0 HG22 ILE A 23 10.527 -5.891 -29.990 1.00 72.43 H new ATOM 0 HG23 ILE A 23 12.052 -6.783 -29.773 1.00 72.43 H new ATOM 0 HD11 ILE A 23 13.507 -9.633 -31.560 1.00 3.12 H new ATOM 0 HD12 ILE A 23 13.345 -8.151 -30.589 1.00 3.12 H new ATOM 0 HD13 ILE A 23 12.470 -9.626 -30.114 1.00 3.12 H new ATOM 375 N PRO A 24 9.337 -7.223 -27.995 1.00 4.33 N ATOM 376 CA PRO A 24 8.468 -6.371 -27.177 1.00 45.12 C ATOM 377 C PRO A 24 8.270 -4.988 -27.789 1.00 71.53 C ATOM 378 O PRO A 24 8.996 -4.593 -28.700 1.00 44.43 O ATOM 379 CB PRO A 24 9.223 -6.265 -25.850 1.00 1.33 C ATOM 380 CG PRO A 24 10.651 -6.494 -26.206 1.00 42.24 C ATOM 381 CD PRO A 24 10.641 -7.466 -27.354 1.00 13.23 C ATOM 0 HA PRO A 24 7.465 -6.786 -27.080 1.00 45.12 H new ATOM 0 HB2 PRO A 24 9.082 -5.286 -25.391 1.00 1.33 H new ATOM 0 HB3 PRO A 24 8.870 -7.007 -25.134 1.00 1.33 H new ATOM 0 HG2 PRO A 24 11.137 -5.560 -26.489 1.00 42.24 H new ATOM 0 HG3 PRO A 24 11.205 -6.897 -25.358 1.00 42.24 H new ATOM 0 HD2 PRO A 24 11.467 -7.284 -28.042 1.00 13.23 H new ATOM 0 HD3 PRO A 24 10.734 -8.496 -27.009 1.00 13.23 H new ATOM 389 N ALA A 25 7.282 -4.258 -27.282 1.00 70.33 N ATOM 390 CA ALA A 25 6.989 -2.919 -27.778 1.00 65.34 C ATOM 391 C ALA A 25 5.841 -2.285 -27.001 1.00 51.35 C ATOM 392 O ALA A 25 4.750 -2.848 -26.919 1.00 21.10 O ATOM 393 CB ALA A 25 6.662 -2.967 -29.264 1.00 0.55 C ATOM 0 H ALA A 25 6.671 -4.571 -26.528 1.00 70.33 H new ATOM 0 HA ALA A 25 7.875 -2.302 -27.632 1.00 65.34 H new ATOM 0 HB1 ALA A 25 6.445 -1.960 -29.622 1.00 0.55 H new ATOM 0 HB2 ALA A 25 7.514 -3.371 -29.811 1.00 0.55 H new ATOM 0 HB3 ALA A 25 5.792 -3.604 -29.425 1.00 0.55 H new ATOM 399 N GLU A 26 6.095 -1.110 -26.433 1.00 73.02 N ATOM 400 CA GLU A 26 5.081 -0.401 -25.661 1.00 40.23 C ATOM 401 C GLU A 26 4.001 0.170 -26.576 1.00 70.30 C ATOM 402 O GLU A 26 4.251 0.461 -27.746 1.00 64.42 O ATOM 403 CB GLU A 26 5.723 0.725 -24.848 1.00 13.12 C ATOM 404 CG GLU A 26 4.744 1.459 -23.947 1.00 30.04 C ATOM 405 CD GLU A 26 5.419 2.093 -22.746 1.00 21.00 C ATOM 406 OE1 GLU A 26 5.842 1.344 -21.840 1.00 51.40 O ATOM 407 OE2 GLU A 26 5.525 3.337 -22.712 1.00 34.31 O ATOM 0 H GLU A 26 6.993 -0.630 -26.493 1.00 73.02 H new ATOM 0 HA GLU A 26 4.616 -1.113 -24.979 1.00 40.23 H new ATOM 0 HB2 GLU A 26 6.525 0.309 -24.237 1.00 13.12 H new ATOM 0 HB3 GLU A 26 6.181 1.440 -25.532 1.00 13.12 H new ATOM 0 HG2 GLU A 26 4.235 2.232 -24.523 1.00 30.04 H new ATOM 0 HG3 GLU A 26 3.979 0.762 -23.604 1.00 30.04 H new ATOM 414 N THR A 27 2.797 0.327 -26.034 1.00 61.22 N ATOM 415 CA THR A 27 1.678 0.861 -26.800 1.00 60.31 C ATOM 416 C THR A 27 1.091 2.096 -26.127 1.00 52.13 C ATOM 417 O THR A 27 1.573 2.535 -25.083 1.00 4.25 O ATOM 418 CB THR A 27 0.566 -0.191 -26.977 1.00 43.45 C ATOM 419 OG1 THR A 27 -0.410 0.282 -27.913 1.00 23.50 O ATOM 420 CG2 THR A 27 -0.105 -0.497 -25.648 1.00 35.45 C ATOM 0 H THR A 27 2.572 0.092 -25.067 1.00 61.22 H new ATOM 0 HA THR A 27 2.068 1.136 -27.780 1.00 60.31 H new ATOM 0 HB THR A 27 1.019 -1.107 -27.356 1.00 43.45 H new ATOM 0 HG1 THR A 27 0.043 0.714 -28.667 1.00 23.50 H new ATOM 0 HG21 THR A 27 -0.886 -1.242 -25.798 1.00 35.45 H new ATOM 0 HG22 THR A 27 0.635 -0.883 -24.947 1.00 35.45 H new ATOM 0 HG23 THR A 27 -0.546 0.415 -25.244 1.00 35.45 H new ATOM 428 N LEU A 28 0.047 2.653 -26.731 1.00 72.12 N ATOM 429 CA LEU A 28 -0.606 3.840 -26.191 1.00 13.14 C ATOM 430 C LEU A 28 -1.050 3.609 -24.750 1.00 34.22 C ATOM 431 O LEU A 28 -1.102 4.542 -23.947 1.00 64.44 O ATOM 432 CB LEU A 28 -1.811 4.221 -27.053 1.00 31.32 C ATOM 433 CG LEU A 28 -1.502 4.637 -28.491 1.00 53.42 C ATOM 434 CD1 LEU A 28 -2.787 4.941 -29.246 1.00 41.15 C ATOM 435 CD2 LEU A 28 -0.573 5.842 -28.510 1.00 10.35 C ATOM 0 H LEU A 28 -0.365 2.301 -27.595 1.00 72.12 H new ATOM 0 HA LEU A 28 0.114 4.658 -26.203 1.00 13.14 H new ATOM 0 HB2 LEU A 28 -2.496 3.373 -27.080 1.00 31.32 H new ATOM 0 HB3 LEU A 28 -2.338 5.040 -26.564 1.00 31.32 H new ATOM 0 HG LEU A 28 -0.999 3.808 -28.989 1.00 53.42 H new ATOM 0 HD11 LEU A 28 -2.548 5.235 -30.268 1.00 41.15 H new ATOM 0 HD12 LEU A 28 -3.418 4.052 -29.263 1.00 41.15 H new ATOM 0 HD13 LEU A 28 -3.317 5.753 -28.749 1.00 41.15 H new ATOM 0 HD21 LEU A 28 -0.364 6.124 -29.542 1.00 10.35 H new ATOM 0 HD22 LEU A 28 -1.049 6.677 -27.995 1.00 10.35 H new ATOM 0 HD23 LEU A 28 0.360 5.590 -28.007 1.00 10.35 H new ATOM 447 N HIS A 29 -1.369 2.359 -24.427 1.00 42.14 N ATOM 448 CA HIS A 29 -1.807 2.005 -23.082 1.00 62.40 C ATOM 449 C HIS A 29 -0.653 2.111 -22.089 1.00 71.13 C ATOM 450 O HIS A 29 -0.861 2.383 -20.908 1.00 21.34 O ATOM 451 CB HIS A 29 -2.379 0.587 -23.066 1.00 75.03 C ATOM 452 CG HIS A 29 -3.868 0.540 -23.227 1.00 42.44 C ATOM 453 ND1 HIS A 29 -4.556 1.354 -24.103 1.00 21.22 N ATOM 454 CD2 HIS A 29 -4.800 -0.230 -22.620 1.00 13.12 C ATOM 455 CE1 HIS A 29 -5.847 1.087 -24.026 1.00 14.15 C ATOM 456 NE2 HIS A 29 -6.022 0.129 -23.133 1.00 54.30 N ATOM 0 H HIS A 29 -1.332 1.575 -25.079 1.00 42.14 H new ATOM 0 HA HIS A 29 -2.586 2.707 -22.784 1.00 62.40 H new ATOM 0 HB2 HIS A 29 -1.917 0.009 -23.866 1.00 75.03 H new ATOM 0 HB3 HIS A 29 -2.108 0.105 -22.127 1.00 75.03 H new ATOM 0 HD2 HIS A 29 -4.617 -0.986 -21.871 1.00 13.12 H new ATOM 0 HE1 HIS A 29 -6.627 1.570 -24.596 1.00 14.15 H new ATOM 0 HE2 HIS A 29 -6.919 -0.278 -22.868 1.00 54.30 H new ATOM 464 N GLY A 30 0.564 1.894 -22.578 1.00 62.23 N ATOM 465 CA GLY A 30 1.733 1.970 -21.721 1.00 35.12 C ATOM 466 C GLY A 30 2.093 0.630 -21.111 1.00 75.52 C ATOM 467 O GLY A 30 2.463 0.551 -19.940 1.00 25.45 O ATOM 0 H GLY A 30 0.761 1.667 -23.553 1.00 62.23 H new ATOM 0 HA2 GLY A 30 2.579 2.342 -22.298 1.00 35.12 H new ATOM 0 HA3 GLY A 30 1.549 2.691 -20.924 1.00 35.12 H new ATOM 471 N THR A 31 1.982 -0.430 -21.907 1.00 11.20 N ATOM 472 CA THR A 31 2.296 -1.774 -21.439 1.00 2.43 C ATOM 473 C THR A 31 3.126 -2.534 -22.467 1.00 33.21 C ATOM 474 O THR A 31 2.943 -2.367 -23.673 1.00 20.51 O ATOM 475 CB THR A 31 1.017 -2.576 -21.133 1.00 41.41 C ATOM 476 OG1 THR A 31 0.284 -2.807 -22.341 1.00 71.50 O ATOM 477 CG2 THR A 31 0.139 -1.835 -20.135 1.00 44.14 C ATOM 0 H THR A 31 1.677 -0.383 -22.879 1.00 11.20 H new ATOM 0 HA THR A 31 2.873 -1.662 -20.521 1.00 2.43 H new ATOM 0 HB THR A 31 1.309 -3.531 -20.697 1.00 41.41 H new ATOM 0 HG1 THR A 31 -0.527 -3.319 -22.139 1.00 71.50 H new ATOM 0 HG21 THR A 31 -0.758 -2.421 -19.935 1.00 44.14 H new ATOM 0 HG22 THR A 31 0.690 -1.686 -19.206 1.00 44.14 H new ATOM 0 HG23 THR A 31 -0.145 -0.867 -20.548 1.00 44.14 H new ATOM 485 N VAL A 32 4.038 -3.371 -21.983 1.00 1.24 N ATOM 486 CA VAL A 32 4.893 -4.161 -22.860 1.00 45.32 C ATOM 487 C VAL A 32 4.731 -5.652 -22.589 1.00 71.13 C ATOM 488 O VAL A 32 4.592 -6.075 -21.441 1.00 23.00 O ATOM 489 CB VAL A 32 6.376 -3.778 -22.692 1.00 71.20 C ATOM 490 CG1 VAL A 32 6.884 -4.199 -21.322 1.00 21.15 C ATOM 491 CG2 VAL A 32 7.216 -4.403 -23.796 1.00 55.01 C ATOM 0 H VAL A 32 4.204 -3.519 -20.988 1.00 1.24 H new ATOM 0 HA VAL A 32 4.583 -3.945 -23.882 1.00 45.32 H new ATOM 0 HB VAL A 32 6.464 -2.694 -22.769 1.00 71.20 H new ATOM 0 HG11 VAL A 32 7.933 -3.920 -21.222 1.00 21.15 H new ATOM 0 HG12 VAL A 32 6.300 -3.700 -20.548 1.00 21.15 H new ATOM 0 HG13 VAL A 32 6.783 -5.279 -21.213 1.00 21.15 H new ATOM 0 HG21 VAL A 32 8.261 -4.122 -23.662 1.00 55.01 H new ATOM 0 HG22 VAL A 32 7.124 -5.488 -23.753 1.00 55.01 H new ATOM 0 HG23 VAL A 32 6.866 -4.047 -24.765 1.00 55.01 H new ATOM 501 N THR A 33 4.749 -6.447 -23.655 1.00 22.12 N ATOM 502 CA THR A 33 4.604 -7.892 -23.533 1.00 32.12 C ATOM 503 C THR A 33 5.879 -8.611 -23.958 1.00 51.13 C ATOM 504 O THR A 33 6.558 -8.190 -24.895 1.00 72.01 O ATOM 505 CB THR A 33 3.428 -8.412 -24.381 1.00 14.11 C ATOM 506 OG1 THR A 33 3.776 -8.387 -25.769 1.00 63.25 O ATOM 507 CG2 THR A 33 2.181 -7.571 -24.151 1.00 2.42 C ATOM 0 H THR A 33 4.863 -6.114 -24.612 1.00 22.12 H new ATOM 0 HA THR A 33 4.405 -8.102 -22.482 1.00 32.12 H new ATOM 0 HB THR A 33 3.217 -9.438 -24.078 1.00 14.11 H new ATOM 0 HG1 THR A 33 3.024 -8.721 -26.301 1.00 63.25 H new ATOM 0 HG21 THR A 33 1.364 -7.957 -24.760 1.00 2.42 H new ATOM 0 HG22 THR A 33 1.901 -7.616 -23.099 1.00 2.42 H new ATOM 0 HG23 THR A 33 2.383 -6.537 -24.429 1.00 2.42 H new ATOM 515 N VAL A 34 6.199 -9.699 -23.265 1.00 2.34 N ATOM 516 CA VAL A 34 7.392 -10.478 -23.573 1.00 23.13 C ATOM 517 C VAL A 34 7.043 -11.940 -23.829 1.00 53.33 C ATOM 518 O VAL A 34 6.445 -12.603 -22.982 1.00 45.30 O ATOM 519 CB VAL A 34 8.423 -10.401 -22.431 1.00 64.11 C ATOM 520 CG1 VAL A 34 7.798 -10.842 -21.116 1.00 65.13 C ATOM 521 CG2 VAL A 34 9.645 -11.245 -22.760 1.00 25.13 C ATOM 0 H VAL A 34 5.648 -10.061 -22.486 1.00 2.34 H new ATOM 0 HA VAL A 34 7.827 -10.047 -24.475 1.00 23.13 H new ATOM 0 HB VAL A 34 8.744 -9.365 -22.323 1.00 64.11 H new ATOM 0 HG11 VAL A 34 8.541 -10.781 -20.321 1.00 65.13 H new ATOM 0 HG12 VAL A 34 6.957 -10.192 -20.877 1.00 65.13 H new ATOM 0 HG13 VAL A 34 7.447 -11.870 -21.207 1.00 65.13 H new ATOM 0 HG21 VAL A 34 10.363 -11.179 -21.943 1.00 25.13 H new ATOM 0 HG22 VAL A 34 9.344 -12.284 -22.896 1.00 25.13 H new ATOM 0 HG23 VAL A 34 10.105 -10.878 -23.677 1.00 25.13 H new ATOM 531 N GLU A 35 7.420 -12.435 -25.004 1.00 33.32 N ATOM 532 CA GLU A 35 7.145 -13.819 -25.372 1.00 21.33 C ATOM 533 C GLU A 35 8.440 -14.572 -25.662 1.00 23.44 C ATOM 534 O GLU A 35 9.319 -14.072 -26.364 1.00 52.10 O ATOM 535 CB GLU A 35 6.227 -13.873 -26.594 1.00 54.33 C ATOM 536 CG GLU A 35 4.991 -14.733 -26.390 1.00 61.32 C ATOM 537 CD GLU A 35 3.702 -13.967 -26.617 1.00 44.02 C ATOM 538 OE1 GLU A 35 3.667 -12.759 -26.300 1.00 64.42 O ATOM 539 OE2 GLU A 35 2.730 -14.574 -27.111 1.00 75.11 O ATOM 0 H GLU A 35 7.916 -11.899 -25.716 1.00 33.32 H new ATOM 0 HA GLU A 35 6.646 -14.299 -24.530 1.00 21.33 H new ATOM 0 HB2 GLU A 35 5.916 -12.860 -26.849 1.00 54.33 H new ATOM 0 HB3 GLU A 35 6.790 -14.257 -27.444 1.00 54.33 H new ATOM 0 HG2 GLU A 35 5.028 -15.583 -27.071 1.00 61.32 H new ATOM 0 HG3 GLU A 35 4.996 -15.135 -25.377 1.00 61.32 H new ATOM 546 N VAL A 36 8.552 -15.779 -25.115 1.00 15.12 N ATOM 547 CA VAL A 36 9.739 -16.602 -25.313 1.00 11.52 C ATOM 548 C VAL A 36 9.361 -18.030 -25.689 1.00 5.11 C ATOM 549 O VAL A 36 8.259 -18.489 -25.392 1.00 21.13 O ATOM 550 CB VAL A 36 10.619 -16.631 -24.049 1.00 12.41 C ATOM 551 CG1 VAL A 36 11.319 -15.294 -23.855 1.00 23.40 C ATOM 552 CG2 VAL A 36 9.785 -16.987 -22.828 1.00 14.23 C ATOM 0 H VAL A 36 7.834 -16.208 -24.531 1.00 15.12 H new ATOM 0 HA VAL A 36 10.304 -16.152 -26.129 1.00 11.52 H new ATOM 0 HB VAL A 36 11.382 -17.399 -24.176 1.00 12.41 H new ATOM 0 HG11 VAL A 36 11.936 -15.333 -22.957 1.00 23.40 H new ATOM 0 HG12 VAL A 36 11.949 -15.084 -24.719 1.00 23.40 H new ATOM 0 HG13 VAL A 36 10.574 -14.505 -23.749 1.00 23.40 H new ATOM 0 HG21 VAL A 36 10.423 -17.003 -21.944 1.00 14.23 H new ATOM 0 HG22 VAL A 36 8.999 -16.244 -22.695 1.00 14.23 H new ATOM 0 HG23 VAL A 36 9.335 -17.970 -22.969 1.00 14.23 H new ATOM 562 N GLN A 37 10.284 -18.727 -26.344 1.00 23.12 N ATOM 563 CA GLN A 37 10.048 -20.104 -26.761 1.00 34.12 C ATOM 564 C GLN A 37 10.698 -21.086 -25.792 1.00 3.22 C ATOM 565 O GLN A 37 11.778 -20.826 -25.261 1.00 0.45 O ATOM 566 CB GLN A 37 10.587 -20.331 -28.174 1.00 72.12 C ATOM 567 CG GLN A 37 9.557 -20.085 -29.265 1.00 42.30 C ATOM 568 CD GLN A 37 10.146 -20.190 -30.658 1.00 1.21 C ATOM 569 OE1 GLN A 37 9.677 -20.972 -31.485 1.00 50.35 O ATOM 570 NE2 GLN A 37 11.180 -19.401 -30.925 1.00 1.51 N ATOM 0 H GLN A 37 11.202 -18.361 -26.597 1.00 23.12 H new ATOM 0 HA GLN A 37 8.972 -20.278 -26.758 1.00 34.12 H new ATOM 0 HB2 GLN A 37 11.441 -19.674 -28.338 1.00 72.12 H new ATOM 0 HB3 GLN A 37 10.952 -21.355 -28.255 1.00 72.12 H new ATOM 0 HG2 GLN A 37 8.746 -20.806 -29.162 1.00 42.30 H new ATOM 0 HG3 GLN A 37 9.122 -19.094 -29.132 1.00 42.30 H new ATOM 0 HE21 GLN A 37 11.536 -18.768 -30.209 1.00 1.51 H new ATOM 0 HE22 GLN A 37 11.618 -19.428 -31.846 1.00 1.51 H new ATOM 579 N TYR A 38 10.035 -22.214 -25.566 1.00 75.01 N ATOM 580 CA TYR A 38 10.547 -23.234 -24.658 1.00 52.44 C ATOM 581 C TYR A 38 10.790 -24.547 -25.396 1.00 0.13 C ATOM 582 O TYR A 38 9.868 -25.135 -25.959 1.00 73.41 O ATOM 583 CB TYR A 38 9.568 -23.457 -23.505 1.00 31.45 C ATOM 584 CG TYR A 38 9.979 -22.774 -22.220 1.00 43.42 C ATOM 585 CD1 TYR A 38 11.218 -23.024 -21.643 1.00 21.42 C ATOM 586 CD2 TYR A 38 9.129 -21.878 -21.584 1.00 3.14 C ATOM 587 CE1 TYR A 38 11.598 -22.403 -20.469 1.00 41.41 C ATOM 588 CE2 TYR A 38 9.502 -21.250 -20.411 1.00 35.44 C ATOM 589 CZ TYR A 38 10.737 -21.516 -19.857 1.00 73.22 C ATOM 590 OH TYR A 38 11.111 -20.894 -18.688 1.00 74.30 O ATOM 0 H TYR A 38 9.141 -22.446 -25.999 1.00 75.01 H new ATOM 0 HA TYR A 38 11.497 -22.883 -24.256 1.00 52.44 H new ATOM 0 HB2 TYR A 38 8.583 -23.094 -23.800 1.00 31.45 H new ATOM 0 HB3 TYR A 38 9.472 -24.527 -23.323 1.00 31.45 H new ATOM 0 HD1 TYR A 38 11.896 -23.716 -22.121 1.00 21.42 H new ATOM 0 HD2 TYR A 38 8.160 -21.669 -22.014 1.00 3.14 H new ATOM 0 HE1 TYR A 38 12.564 -22.611 -20.033 1.00 41.41 H new ATOM 0 HE2 TYR A 38 8.830 -20.554 -19.930 1.00 35.44 H new ATOM 0 HH TYR A 38 10.453 -21.090 -17.988 1.00 74.30 H new ATOM 600 N ALA A 39 12.039 -25.000 -25.386 1.00 62.55 N ATOM 601 CA ALA A 39 12.405 -26.245 -26.051 1.00 50.03 C ATOM 602 C ALA A 39 11.923 -27.454 -25.257 1.00 32.00 C ATOM 603 O ALA A 39 11.532 -28.470 -25.830 1.00 61.02 O ATOM 604 CB ALA A 39 13.911 -26.312 -26.255 1.00 43.51 C ATOM 0 H ALA A 39 12.814 -24.524 -24.925 1.00 62.55 H new ATOM 0 HA ALA A 39 11.916 -26.264 -27.025 1.00 50.03 H new ATOM 0 HB1 ALA A 39 14.170 -27.247 -26.752 1.00 43.51 H new ATOM 0 HB2 ALA A 39 14.232 -25.472 -26.871 1.00 43.51 H new ATOM 0 HB3 ALA A 39 14.412 -26.265 -25.288 1.00 43.51 H new ATOM 675 N LYS A 46 7.251 -23.220 -15.348 1.00 2.33 N ATOM 676 CA LYS A 46 6.889 -21.810 -15.260 1.00 72.12 C ATOM 677 C LYS A 46 7.779 -20.962 -16.163 1.00 61.41 C ATOM 678 O LYS A 46 8.947 -21.285 -16.380 1.00 61.11 O ATOM 679 CB LYS A 46 7.000 -21.323 -13.814 1.00 13.33 C ATOM 680 CG LYS A 46 8.431 -21.209 -13.318 1.00 40.44 C ATOM 681 CD LYS A 46 8.488 -21.066 -11.807 1.00 3.13 C ATOM 682 CE LYS A 46 8.925 -19.668 -11.395 1.00 30.30 C ATOM 683 NZ LYS A 46 10.399 -19.582 -11.203 1.00 1.11 N ATOM 0 HA LYS A 46 5.857 -21.704 -15.594 1.00 72.12 H new ATOM 0 HB2 LYS A 46 6.517 -20.350 -13.729 1.00 13.33 H new ATOM 0 HB3 LYS A 46 6.453 -22.008 -13.166 1.00 13.33 H new ATOM 0 HG2 LYS A 46 8.994 -22.092 -13.622 1.00 40.44 H new ATOM 0 HG3 LYS A 46 8.911 -20.349 -13.784 1.00 40.44 H new ATOM 0 HD2 LYS A 46 7.507 -21.281 -11.383 1.00 3.13 H new ATOM 0 HD3 LYS A 46 9.181 -21.801 -11.397 1.00 3.13 H new ATOM 0 HE2 LYS A 46 8.615 -18.952 -12.156 1.00 30.30 H new ATOM 0 HE3 LYS A 46 8.421 -19.388 -10.470 1.00 30.30 H new ATOM 0 HZ1 LYS A 46 10.657 -18.614 -10.923 1.00 1.11 H new ATOM 0 HZ2 LYS A 46 10.692 -20.247 -10.459 1.00 1.11 H new ATOM 0 HZ3 LYS A 46 10.880 -19.824 -12.093 1.00 1.11 H new ATOM 697 N VAL A 47 7.220 -19.876 -16.686 1.00 41.41 N ATOM 698 CA VAL A 47 7.965 -18.979 -17.562 1.00 73.24 C ATOM 699 C VAL A 47 8.286 -17.665 -16.859 1.00 71.05 C ATOM 700 O VAL A 47 7.501 -16.716 -16.875 1.00 24.33 O ATOM 701 CB VAL A 47 7.182 -18.680 -18.855 1.00 1.43 C ATOM 702 CG1 VAL A 47 5.755 -18.265 -18.531 1.00 31.01 C ATOM 703 CG2 VAL A 47 7.887 -17.604 -19.667 1.00 3.22 C ATOM 0 H VAL A 47 6.254 -19.596 -16.519 1.00 41.41 H new ATOM 0 HA VAL A 47 8.895 -19.486 -17.818 1.00 73.24 H new ATOM 0 HB VAL A 47 7.143 -19.589 -19.455 1.00 1.43 H new ATOM 0 HG11 VAL A 47 5.217 -18.058 -19.456 1.00 31.01 H new ATOM 0 HG12 VAL A 47 5.255 -19.071 -17.993 1.00 31.01 H new ATOM 0 HG13 VAL A 47 5.769 -17.369 -17.911 1.00 31.01 H new ATOM 0 HG21 VAL A 47 7.321 -17.405 -20.577 1.00 3.22 H new ATOM 0 HG22 VAL A 47 7.958 -16.690 -19.077 1.00 3.22 H new ATOM 0 HG23 VAL A 47 8.888 -17.944 -19.930 1.00 3.22 H new ATOM 713 N PRO A 48 9.468 -17.605 -16.228 1.00 34.31 N ATOM 714 CA PRO A 48 9.921 -16.411 -15.508 1.00 61.42 C ATOM 715 C PRO A 48 10.255 -15.259 -16.449 1.00 62.24 C ATOM 716 O PRO A 48 10.749 -15.473 -17.556 1.00 52.33 O ATOM 717 CB PRO A 48 11.181 -16.892 -14.783 1.00 14.42 C ATOM 718 CG PRO A 48 11.676 -18.034 -15.600 1.00 61.41 C ATOM 719 CD PRO A 48 10.452 -18.699 -16.168 1.00 44.51 C ATOM 0 HA PRO A 48 9.152 -16.020 -14.842 1.00 61.42 H new ATOM 0 HB2 PRO A 48 11.927 -16.100 -14.717 1.00 14.42 H new ATOM 0 HB3 PRO A 48 10.956 -17.203 -13.763 1.00 14.42 H new ATOM 0 HG2 PRO A 48 12.336 -17.688 -16.395 1.00 61.41 H new ATOM 0 HG3 PRO A 48 12.251 -18.730 -14.989 1.00 61.41 H new ATOM 0 HD2 PRO A 48 10.645 -19.121 -17.154 1.00 44.51 H new ATOM 0 HD3 PRO A 48 10.107 -19.516 -15.534 1.00 44.51 H new ATOM 727 N ALA A 49 9.983 -14.038 -16.002 1.00 1.31 N ATOM 728 CA ALA A 49 10.256 -12.852 -16.804 1.00 41.21 C ATOM 729 C ALA A 49 10.396 -11.614 -15.924 1.00 61.14 C ATOM 730 O ALA A 49 9.663 -11.449 -14.950 1.00 21.02 O ATOM 731 CB ALA A 49 9.156 -12.647 -17.835 1.00 70.21 C ATOM 0 H ALA A 49 9.574 -13.844 -15.088 1.00 1.31 H new ATOM 0 HA ALA A 49 11.202 -13.005 -17.324 1.00 41.21 H new ATOM 0 HB1 ALA A 49 9.373 -11.758 -18.427 1.00 70.21 H new ATOM 0 HB2 ALA A 49 9.106 -13.516 -18.491 1.00 70.21 H new ATOM 0 HB3 ALA A 49 8.200 -12.520 -17.327 1.00 70.21 H new ATOM 737 N GLN A 50 11.342 -10.749 -16.275 1.00 12.52 N ATOM 738 CA GLN A 50 11.578 -9.527 -15.515 1.00 52.41 C ATOM 739 C GLN A 50 12.618 -8.650 -16.204 1.00 1.40 C ATOM 740 O GLN A 50 13.184 -9.030 -17.228 1.00 64.02 O ATOM 741 CB GLN A 50 12.037 -9.864 -14.096 1.00 23.23 C ATOM 742 CG GLN A 50 13.316 -10.685 -14.049 1.00 73.42 C ATOM 743 CD GLN A 50 14.562 -9.823 -14.019 1.00 23.33 C ATOM 744 OE1 GLN A 50 15.389 -9.874 -14.930 1.00 31.40 O ATOM 745 NE2 GLN A 50 14.704 -9.024 -12.968 1.00 24.45 N ATOM 0 H GLN A 50 11.957 -10.871 -17.080 1.00 12.52 H new ATOM 0 HA GLN A 50 10.640 -8.974 -15.464 1.00 52.41 H new ATOM 0 HB2 GLN A 50 12.189 -8.937 -13.543 1.00 23.23 H new ATOM 0 HB3 GLN A 50 11.244 -10.412 -13.587 1.00 23.23 H new ATOM 0 HG2 GLN A 50 13.300 -11.325 -13.167 1.00 73.42 H new ATOM 0 HG3 GLN A 50 13.354 -11.342 -14.918 1.00 73.42 H new ATOM 0 HE21 GLN A 50 13.994 -9.014 -12.236 1.00 24.45 H new ATOM 0 HE22 GLN A 50 15.523 -8.421 -12.893 1.00 24.45 H new ATOM 754 N MET A 51 12.864 -7.474 -15.635 1.00 22.01 N ATOM 755 CA MET A 51 13.837 -6.543 -16.195 1.00 24.34 C ATOM 756 C MET A 51 14.727 -5.963 -15.100 1.00 21.54 C ATOM 757 O MET A 51 14.580 -6.300 -13.925 1.00 4.50 O ATOM 758 CB MET A 51 13.124 -5.414 -16.940 1.00 45.42 C ATOM 759 CG MET A 51 12.232 -4.565 -16.049 1.00 24.24 C ATOM 760 SD MET A 51 10.539 -5.180 -15.974 1.00 10.31 S ATOM 761 CE MET A 51 9.984 -4.848 -17.644 1.00 44.04 C ATOM 0 H MET A 51 12.403 -7.143 -14.787 1.00 22.01 H new ATOM 0 HA MET A 51 14.465 -7.091 -16.897 1.00 24.34 H new ATOM 0 HB2 MET A 51 13.870 -4.773 -17.410 1.00 45.42 H new ATOM 0 HB3 MET A 51 12.521 -5.842 -17.741 1.00 45.42 H new ATOM 0 HG2 MET A 51 12.650 -4.539 -15.043 1.00 24.24 H new ATOM 0 HG3 MET A 51 12.226 -3.540 -16.419 1.00 24.24 H new ATOM 0 HE1 MET A 51 8.905 -4.691 -17.645 1.00 44.04 H new ATOM 0 HE2 MET A 51 10.481 -3.954 -18.022 1.00 44.04 H new ATOM 0 HE3 MET A 51 10.228 -5.696 -18.284 1.00 44.04 H new ATOM 771 N ALA A 52 15.650 -5.091 -15.493 1.00 33.41 N ATOM 772 CA ALA A 52 16.562 -4.464 -14.544 1.00 74.24 C ATOM 773 C ALA A 52 17.441 -3.426 -15.233 1.00 13.43 C ATOM 774 O ALA A 52 17.788 -3.570 -16.405 1.00 54.11 O ATOM 775 CB ALA A 52 17.422 -5.518 -13.863 1.00 74.30 C ATOM 0 H ALA A 52 15.786 -4.803 -16.462 1.00 33.41 H new ATOM 0 HA ALA A 52 15.966 -3.954 -13.788 1.00 74.24 H new ATOM 0 HB1 ALA A 52 18.098 -5.035 -13.157 1.00 74.30 H new ATOM 0 HB2 ALA A 52 16.782 -6.221 -13.330 1.00 74.30 H new ATOM 0 HB3 ALA A 52 18.003 -6.054 -14.613 1.00 74.30 H new ATOM 781 N VAL A 53 17.798 -2.378 -14.497 1.00 13.23 N ATOM 782 CA VAL A 53 18.638 -1.315 -15.036 1.00 73.22 C ATOM 783 C VAL A 53 20.048 -1.820 -15.319 1.00 41.14 C ATOM 784 O VAL A 53 20.683 -1.407 -16.290 1.00 21.00 O ATOM 785 CB VAL A 53 18.717 -0.118 -14.071 1.00 1.32 C ATOM 786 CG1 VAL A 53 19.493 1.028 -14.703 1.00 75.13 C ATOM 787 CG2 VAL A 53 17.322 0.332 -13.665 1.00 12.22 C ATOM 0 H VAL A 53 17.518 -2.243 -13.525 1.00 13.23 H new ATOM 0 HA VAL A 53 18.177 -0.990 -15.969 1.00 73.22 H new ATOM 0 HB VAL A 53 19.248 -0.433 -13.173 1.00 1.32 H new ATOM 0 HG11 VAL A 53 19.538 1.865 -14.006 1.00 75.13 H new ATOM 0 HG12 VAL A 53 20.504 0.697 -14.938 1.00 75.13 H new ATOM 0 HG13 VAL A 53 18.993 1.345 -15.618 1.00 75.13 H new ATOM 0 HG21 VAL A 53 17.397 1.179 -12.983 1.00 12.22 H new ATOM 0 HG22 VAL A 53 16.763 0.629 -14.552 1.00 12.22 H new ATOM 0 HG23 VAL A 53 16.805 -0.489 -13.169 1.00 12.22 H new ATOM 797 N ASP A 54 20.532 -2.716 -14.466 1.00 43.42 N ATOM 798 CA ASP A 54 21.868 -3.279 -14.625 1.00 1.21 C ATOM 799 C ASP A 54 21.834 -4.799 -14.507 1.00 23.31 C ATOM 800 O ASP A 54 20.804 -5.383 -14.171 1.00 2.45 O ATOM 801 CB ASP A 54 22.819 -2.695 -13.579 1.00 13.42 C ATOM 802 CG ASP A 54 23.497 -1.426 -14.057 1.00 53.30 C ATOM 803 OD1 ASP A 54 24.015 -1.422 -15.193 1.00 43.33 O ATOM 804 OD2 ASP A 54 23.508 -0.436 -13.295 1.00 72.44 O ATOM 0 H ASP A 54 20.019 -3.068 -13.657 1.00 43.42 H new ATOM 0 HA ASP A 54 22.230 -3.017 -15.619 1.00 1.21 H new ATOM 0 HB2 ASP A 54 22.264 -2.485 -12.665 1.00 13.42 H new ATOM 0 HB3 ASP A 54 23.578 -3.436 -13.328 1.00 13.42 H new ATOM 809 N MET A 55 22.967 -5.435 -14.787 1.00 44.21 N ATOM 810 CA MET A 55 23.067 -6.888 -14.711 1.00 41.21 C ATOM 811 C MET A 55 23.864 -7.314 -13.483 1.00 24.44 C ATOM 812 O MET A 55 23.571 -8.339 -12.867 1.00 13.31 O ATOM 813 CB MET A 55 23.723 -7.442 -15.977 1.00 62.21 C ATOM 814 CG MET A 55 24.987 -6.700 -16.382 1.00 33.24 C ATOM 815 SD MET A 55 24.673 -5.407 -17.599 1.00 23.23 S ATOM 816 CE MET A 55 25.533 -4.024 -16.853 1.00 30.45 C ATOM 0 H MET A 55 23.829 -4.967 -15.069 1.00 44.21 H new ATOM 0 HA MET A 55 22.059 -7.293 -14.626 1.00 41.21 H new ATOM 0 HB2 MET A 55 23.963 -8.494 -15.821 1.00 62.21 H new ATOM 0 HB3 MET A 55 23.006 -7.397 -16.797 1.00 62.21 H new ATOM 0 HG2 MET A 55 25.443 -6.257 -15.497 1.00 33.24 H new ATOM 0 HG3 MET A 55 25.706 -7.411 -16.790 1.00 33.24 H new ATOM 0 HE1 MET A 55 25.741 -3.271 -17.614 1.00 30.45 H new ATOM 0 HE2 MET A 55 24.911 -3.588 -16.071 1.00 30.45 H new ATOM 0 HE3 MET A 55 26.471 -4.370 -16.419 1.00 30.45 H new ATOM 826 N GLN A 56 24.873 -6.523 -13.133 1.00 10.32 N ATOM 827 CA GLN A 56 25.713 -6.821 -11.978 1.00 55.45 C ATOM 828 C GLN A 56 24.863 -7.054 -10.733 1.00 62.25 C ATOM 829 O GLN A 56 25.168 -7.922 -9.914 1.00 51.40 O ATOM 830 CB GLN A 56 26.699 -5.678 -11.730 1.00 70.13 C ATOM 831 CG GLN A 56 27.493 -5.281 -12.964 1.00 62.33 C ATOM 832 CD GLN A 56 28.835 -4.665 -12.621 1.00 51.44 C ATOM 833 OE1 GLN A 56 29.834 -5.368 -12.470 1.00 30.24 O ATOM 834 NE2 GLN A 56 28.865 -3.343 -12.497 1.00 51.25 N ATOM 0 H GLN A 56 25.129 -5.671 -13.632 1.00 10.32 H new ATOM 0 HA GLN A 56 26.271 -7.733 -12.191 1.00 55.45 H new ATOM 0 HB2 GLN A 56 26.151 -4.809 -11.366 1.00 70.13 H new ATOM 0 HB3 GLN A 56 27.392 -5.972 -10.941 1.00 70.13 H new ATOM 0 HG2 GLN A 56 27.650 -6.160 -13.589 1.00 62.33 H new ATOM 0 HG3 GLN A 56 26.912 -4.571 -13.553 1.00 62.33 H new ATOM 0 HE21 GLN A 56 28.013 -2.799 -12.631 1.00 51.25 H new ATOM 0 HE22 GLN A 56 29.740 -2.872 -12.268 1.00 51.25 H new ATOM 843 N THR A 57 23.795 -6.274 -10.597 1.00 23.25 N ATOM 844 CA THR A 57 22.903 -6.395 -9.451 1.00 13.53 C ATOM 845 C THR A 57 21.556 -6.980 -9.862 1.00 4.55 C ATOM 846 O THR A 57 20.963 -7.773 -9.130 1.00 23.14 O ATOM 847 CB THR A 57 22.672 -5.031 -8.773 1.00 12.21 C ATOM 848 OG1 THR A 57 21.626 -5.138 -7.801 1.00 54.30 O ATOM 849 CG2 THR A 57 22.309 -3.970 -9.801 1.00 42.11 C ATOM 0 H THR A 57 23.527 -5.552 -11.266 1.00 23.25 H new ATOM 0 HA THR A 57 23.387 -7.067 -8.743 1.00 13.53 H new ATOM 0 HB THR A 57 23.597 -4.734 -8.279 1.00 12.21 H new ATOM 0 HG1 THR A 57 21.793 -4.507 -7.070 1.00 54.30 H new ATOM 0 HG21 THR A 57 22.151 -3.016 -9.299 1.00 42.11 H new ATOM 0 HG22 THR A 57 23.120 -3.870 -10.523 1.00 42.11 H new ATOM 0 HG23 THR A 57 21.396 -4.263 -10.319 1.00 42.11 H new ATOM 857 N LEU A 58 21.079 -6.584 -11.036 1.00 74.02 N ATOM 858 CA LEU A 58 19.801 -7.070 -11.545 1.00 55.31 C ATOM 859 C LEU A 58 18.690 -6.854 -10.522 1.00 72.11 C ATOM 860 O LEU A 58 17.833 -7.717 -10.327 1.00 64.53 O ATOM 861 CB LEU A 58 19.901 -8.554 -11.900 1.00 64.21 C ATOM 862 CG LEU A 58 19.032 -9.026 -13.066 1.00 61.02 C ATOM 863 CD1 LEU A 58 19.804 -8.947 -14.374 1.00 3.21 C ATOM 864 CD2 LEU A 58 18.537 -10.444 -12.822 1.00 75.03 C ATOM 0 H LEU A 58 21.557 -5.928 -11.654 1.00 74.02 H new ATOM 0 HA LEU A 58 19.558 -6.504 -12.444 1.00 55.31 H new ATOM 0 HB2 LEU A 58 20.941 -8.782 -12.133 1.00 64.21 H new ATOM 0 HB3 LEU A 58 19.637 -9.137 -11.017 1.00 64.21 H new ATOM 0 HG LEU A 58 18.167 -8.367 -13.139 1.00 61.02 H new ATOM 0 HD11 LEU A 58 19.169 -9.287 -15.192 1.00 3.21 H new ATOM 0 HD12 LEU A 58 20.108 -7.916 -14.555 1.00 3.21 H new ATOM 0 HD13 LEU A 58 20.688 -9.581 -14.313 1.00 3.21 H new ATOM 0 HD21 LEU A 58 17.920 -10.764 -13.662 1.00 75.03 H new ATOM 0 HD22 LEU A 58 19.390 -11.115 -12.722 1.00 75.03 H new ATOM 0 HD23 LEU A 58 17.946 -10.471 -11.907 1.00 75.03 H new ATOM 876 N THR A 59 18.708 -5.695 -9.871 1.00 42.14 N ATOM 877 CA THR A 59 17.702 -5.365 -8.870 1.00 4.42 C ATOM 878 C THR A 59 16.299 -5.411 -9.464 1.00 22.24 C ATOM 879 O THR A 59 16.097 -5.197 -10.659 1.00 4.40 O ATOM 880 CB THR A 59 17.947 -3.968 -8.268 1.00 14.03 C ATOM 881 OG1 THR A 59 18.551 -3.113 -9.244 1.00 2.50 O ATOM 882 CG2 THR A 59 18.841 -4.057 -7.040 1.00 51.33 C ATOM 0 H THR A 59 19.409 -4.969 -10.020 1.00 42.14 H new ATOM 0 HA THR A 59 17.784 -6.113 -8.081 1.00 4.42 H new ATOM 0 HB THR A 59 16.985 -3.552 -7.968 1.00 14.03 H new ATOM 0 HG1 THR A 59 18.702 -2.227 -8.854 1.00 2.50 H new ATOM 0 HG21 THR A 59 19.000 -3.059 -6.632 1.00 51.33 H new ATOM 0 HG22 THR A 59 18.364 -4.685 -6.287 1.00 51.33 H new ATOM 0 HG23 THR A 59 19.801 -4.492 -7.319 1.00 51.33 H new ATOM 890 N PRO A 60 15.304 -5.697 -8.611 1.00 22.42 N ATOM 891 CA PRO A 60 13.902 -5.778 -9.029 1.00 74.03 C ATOM 892 C PRO A 60 13.327 -4.414 -9.396 1.00 33.12 C ATOM 893 O PRO A 60 13.407 -3.465 -8.615 1.00 71.35 O ATOM 894 CB PRO A 60 13.195 -6.342 -7.794 1.00 53.12 C ATOM 895 CG PRO A 60 14.062 -5.949 -6.649 1.00 2.53 C ATOM 896 CD PRO A 60 15.472 -5.964 -7.172 1.00 53.13 C ATOM 0 HA PRO A 60 13.778 -6.389 -9.923 1.00 74.03 H new ATOM 0 HB2 PRO A 60 12.191 -5.930 -7.690 1.00 53.12 H new ATOM 0 HB3 PRO A 60 13.090 -7.425 -7.858 1.00 53.12 H new ATOM 0 HG2 PRO A 60 13.794 -4.960 -6.278 1.00 2.53 H new ATOM 0 HG3 PRO A 60 13.947 -6.643 -5.817 1.00 2.53 H new ATOM 0 HD2 PRO A 60 16.087 -5.203 -6.691 1.00 53.13 H new ATOM 0 HD3 PRO A 60 15.956 -6.924 -6.995 1.00 53.13 H new ATOM 904 N VAL A 61 12.746 -4.323 -10.588 1.00 41.42 N ATOM 905 CA VAL A 61 12.157 -3.074 -11.058 1.00 64.21 C ATOM 906 C VAL A 61 10.941 -3.337 -11.939 1.00 23.51 C ATOM 907 O VAL A 61 10.884 -4.337 -12.653 1.00 72.43 O ATOM 908 CB VAL A 61 13.178 -2.235 -11.849 1.00 4.10 C ATOM 909 CG1 VAL A 61 13.598 -2.961 -13.118 1.00 54.33 C ATOM 910 CG2 VAL A 61 12.603 -0.865 -12.174 1.00 4.53 C ATOM 0 H VAL A 61 12.670 -5.099 -11.246 1.00 41.42 H new ATOM 0 HA VAL A 61 11.848 -2.517 -10.173 1.00 64.21 H new ATOM 0 HB VAL A 61 14.064 -2.095 -11.230 1.00 4.10 H new ATOM 0 HG11 VAL A 61 14.319 -2.353 -13.663 1.00 54.33 H new ATOM 0 HG12 VAL A 61 14.053 -3.917 -12.857 1.00 54.33 H new ATOM 0 HG13 VAL A 61 12.723 -3.135 -13.744 1.00 54.33 H new ATOM 0 HG21 VAL A 61 13.338 -0.285 -12.733 1.00 4.53 H new ATOM 0 HG22 VAL A 61 11.700 -0.982 -12.774 1.00 4.53 H new ATOM 0 HG23 VAL A 61 12.358 -0.344 -11.248 1.00 4.53 H new ATOM 920 N GLY A 62 9.969 -2.432 -11.883 1.00 45.40 N ATOM 921 CA GLY A 62 8.768 -2.583 -12.682 1.00 54.11 C ATOM 922 C GLY A 62 7.609 -3.150 -11.886 1.00 24.24 C ATOM 923 O GLY A 62 7.769 -3.519 -10.722 1.00 62.31 O ATOM 0 H GLY A 62 9.992 -1.597 -11.298 1.00 45.40 H new ATOM 0 HA2 GLY A 62 8.484 -1.614 -13.092 1.00 54.11 H new ATOM 0 HA3 GLY A 62 8.978 -3.237 -13.528 1.00 54.11 H new ATOM 927 N ARG A 63 6.439 -3.219 -12.512 1.00 44.54 N ATOM 928 CA ARG A 63 5.249 -3.741 -11.853 1.00 12.00 C ATOM 929 C ARG A 63 4.847 -5.089 -12.445 1.00 14.32 C ATOM 930 O ARG A 63 5.222 -5.422 -13.570 1.00 14.41 O ATOM 931 CB ARG A 63 4.091 -2.749 -11.983 1.00 23.24 C ATOM 932 CG ARG A 63 3.096 -2.821 -10.836 1.00 5.33 C ATOM 933 CD ARG A 63 3.729 -2.389 -9.522 1.00 21.41 C ATOM 934 NE ARG A 63 2.745 -2.288 -8.448 1.00 12.22 N ATOM 935 CZ ARG A 63 3.065 -2.100 -7.172 1.00 44.15 C ATOM 936 NH1 ARG A 63 4.337 -1.993 -6.814 1.00 64.30 N ATOM 937 NH2 ARG A 63 2.113 -2.018 -6.253 1.00 14.23 N ATOM 0 H ARG A 63 6.290 -2.920 -13.476 1.00 44.54 H new ATOM 0 HA ARG A 63 5.481 -3.882 -10.797 1.00 12.00 H new ATOM 0 HB2 ARG A 63 4.494 -1.738 -12.040 1.00 23.24 H new ATOM 0 HB3 ARG A 63 3.567 -2.936 -12.920 1.00 23.24 H new ATOM 0 HG2 ARG A 63 2.239 -2.184 -11.055 1.00 5.33 H new ATOM 0 HG3 ARG A 63 2.720 -3.840 -10.742 1.00 5.33 H new ATOM 0 HD2 ARG A 63 4.502 -3.104 -9.240 1.00 21.41 H new ATOM 0 HD3 ARG A 63 4.220 -1.425 -9.656 1.00 21.41 H new ATOM 0 HE ARG A 63 1.757 -2.366 -8.691 1.00 12.22 H new ATOM 0 HH11 ARG A 63 5.072 -2.055 -7.518 1.00 64.30 H new ATOM 0 HH12 ARG A 63 4.581 -1.849 -5.834 1.00 64.30 H new ATOM 0 HH21 ARG A 63 1.133 -2.099 -6.525 1.00 14.23 H new ATOM 0 HH22 ARG A 63 2.360 -1.874 -5.274 1.00 14.23 H new ATOM 951 N LEU A 64 4.082 -5.860 -11.680 1.00 22.30 N ATOM 952 CA LEU A 64 3.629 -7.173 -12.128 1.00 51.50 C ATOM 953 C LEU A 64 2.142 -7.149 -12.466 1.00 52.33 C ATOM 954 O LEU A 64 1.326 -6.654 -11.688 1.00 1.12 O ATOM 955 CB LEU A 64 3.902 -8.223 -11.050 1.00 73.55 C ATOM 956 CG LEU A 64 3.508 -7.840 -9.624 1.00 12.33 C ATOM 957 CD1 LEU A 64 3.118 -9.075 -8.827 1.00 71.00 C ATOM 958 CD2 LEU A 64 4.646 -7.098 -8.938 1.00 14.43 C ATOM 0 H LEU A 64 3.762 -5.599 -10.747 1.00 22.30 H new ATOM 0 HA LEU A 64 4.183 -7.434 -13.029 1.00 51.50 H new ATOM 0 HB2 LEU A 64 3.372 -9.137 -11.319 1.00 73.55 H new ATOM 0 HB3 LEU A 64 4.966 -8.457 -11.061 1.00 73.55 H new ATOM 0 HG LEU A 64 2.644 -7.177 -9.672 1.00 12.33 H new ATOM 0 HD11 LEU A 64 2.841 -8.782 -7.814 1.00 71.00 H new ATOM 0 HD12 LEU A 64 2.272 -9.566 -9.307 1.00 71.00 H new ATOM 0 HD13 LEU A 64 3.962 -9.764 -8.787 1.00 71.00 H new ATOM 0 HD21 LEU A 64 4.348 -6.833 -7.924 1.00 14.43 H new ATOM 0 HD22 LEU A 64 5.528 -7.738 -8.902 1.00 14.43 H new ATOM 0 HD23 LEU A 64 4.878 -6.191 -9.497 1.00 14.43 H new ATOM 970 N ILE A 65 1.796 -7.688 -13.631 1.00 5.05 N ATOM 971 CA ILE A 65 0.407 -7.733 -14.069 1.00 20.44 C ATOM 972 C ILE A 65 -0.132 -9.160 -14.041 1.00 2.32 C ATOM 973 O ILE A 65 -1.255 -9.403 -13.599 1.00 12.04 O ATOM 974 CB ILE A 65 0.246 -7.163 -15.490 1.00 60.53 C ATOM 975 CG1 ILE A 65 0.750 -5.720 -15.545 1.00 4.03 C ATOM 976 CG2 ILE A 65 -1.209 -7.239 -15.930 1.00 24.04 C ATOM 977 CD1 ILE A 65 2.212 -5.604 -15.916 1.00 61.23 C ATOM 0 H ILE A 65 2.459 -8.099 -14.288 1.00 5.05 H new ATOM 0 HA ILE A 65 -0.164 -7.118 -13.373 1.00 20.44 H new ATOM 0 HB ILE A 65 0.844 -7.763 -16.176 1.00 60.53 H new ATOM 0 HG12 ILE A 65 0.155 -5.163 -16.269 1.00 4.03 H new ATOM 0 HG13 ILE A 65 0.592 -5.251 -14.574 1.00 4.03 H new ATOM 0 HG21 ILE A 65 -1.306 -6.832 -16.937 1.00 24.04 H new ATOM 0 HG22 ILE A 65 -1.537 -8.279 -15.925 1.00 24.04 H new ATOM 0 HG23 ILE A 65 -1.827 -6.661 -15.244 1.00 24.04 H new ATOM 0 HD11 ILE A 65 2.500 -4.553 -15.936 1.00 61.23 H new ATOM 0 HD12 ILE A 65 2.817 -6.132 -15.179 1.00 61.23 H new ATOM 0 HD13 ILE A 65 2.373 -6.043 -16.901 1.00 61.23 H new ATOM 989 N THR A 66 0.678 -10.102 -14.515 1.00 12.22 N ATOM 990 CA THR A 66 0.283 -11.505 -14.544 1.00 44.51 C ATOM 991 C THR A 66 0.274 -12.102 -13.142 1.00 31.50 C ATOM 992 O THR A 66 0.822 -11.522 -12.206 1.00 1.23 O ATOM 993 CB THR A 66 1.225 -12.334 -15.437 1.00 71.24 C ATOM 994 OG1 THR A 66 2.157 -11.472 -16.101 1.00 35.53 O ATOM 995 CG2 THR A 66 0.435 -13.125 -16.469 1.00 14.00 C ATOM 0 H THR A 66 1.611 -9.919 -14.884 1.00 12.22 H new ATOM 0 HA THR A 66 -0.725 -11.542 -14.958 1.00 44.51 H new ATOM 0 HB THR A 66 1.768 -13.034 -14.802 1.00 71.24 H new ATOM 0 HG1 THR A 66 2.166 -11.676 -17.059 1.00 35.53 H new ATOM 0 HG21 THR A 66 1.121 -13.703 -17.088 1.00 14.00 H new ATOM 0 HG22 THR A 66 -0.252 -13.801 -15.961 1.00 14.00 H new ATOM 0 HG23 THR A 66 -0.131 -12.438 -17.098 1.00 14.00 H new ATOM 1003 N ALA A 67 -0.352 -13.267 -13.004 1.00 40.24 N ATOM 1004 CA ALA A 67 -0.430 -13.945 -11.716 1.00 43.25 C ATOM 1005 C ALA A 67 0.616 -15.050 -11.614 1.00 3.33 C ATOM 1006 O ALA A 67 1.460 -15.037 -10.718 1.00 73.33 O ATOM 1007 CB ALA A 67 -1.824 -14.514 -11.503 1.00 74.31 C ATOM 0 H ALA A 67 -0.812 -13.760 -13.769 1.00 40.24 H new ATOM 0 HA ALA A 67 -0.225 -13.213 -10.935 1.00 43.25 H new ATOM 0 HB1 ALA A 67 -1.868 -15.018 -10.537 1.00 74.31 H new ATOM 0 HB2 ALA A 67 -2.554 -13.705 -11.524 1.00 74.31 H new ATOM 0 HB3 ALA A 67 -2.051 -15.228 -12.295 1.00 74.31 H new ATOM 1013 N ASN A 68 0.555 -16.004 -12.536 1.00 75.43 N ATOM 1014 CA ASN A 68 1.497 -17.117 -12.549 1.00 32.43 C ATOM 1015 C ASN A 68 1.269 -18.010 -13.765 1.00 50.52 C ATOM 1016 O ASN A 68 0.832 -19.155 -13.653 1.00 13.00 O ATOM 1017 CB ASN A 68 1.363 -17.941 -11.266 1.00 54.22 C ATOM 1018 CG ASN A 68 2.288 -19.142 -11.251 1.00 3.14 C ATOM 1019 OD1 ASN A 68 3.509 -18.999 -11.319 1.00 22.53 O ATOM 1020 ND2 ASN A 68 1.709 -20.334 -11.161 1.00 5.30 N ATOM 0 H ASN A 68 -0.137 -16.029 -13.285 1.00 75.43 H new ATOM 0 HA ASN A 68 2.505 -16.706 -12.606 1.00 32.43 H new ATOM 0 HB2 ASN A 68 1.581 -17.307 -10.406 1.00 54.22 H new ATOM 0 HB3 ASN A 68 0.332 -18.279 -11.160 1.00 54.22 H new ATOM 0 HD21 ASN A 68 2.280 -21.179 -11.146 1.00 5.30 H new ATOM 0 HD22 ASN A 68 0.693 -20.405 -11.107 1.00 5.30 H new ATOM 1027 N PRO A 69 1.573 -17.474 -14.957 1.00 15.01 N ATOM 1028 CA PRO A 69 1.409 -18.204 -16.218 1.00 12.24 C ATOM 1029 C PRO A 69 2.413 -19.342 -16.363 1.00 43.24 C ATOM 1030 O PRO A 69 3.624 -19.123 -16.322 1.00 62.54 O ATOM 1031 CB PRO A 69 1.656 -17.132 -17.282 1.00 63.45 C ATOM 1032 CG PRO A 69 2.519 -16.121 -16.609 1.00 60.43 C ATOM 1033 CD PRO A 69 2.100 -16.115 -15.165 1.00 55.23 C ATOM 0 HA PRO A 69 0.430 -18.679 -16.291 1.00 12.24 H new ATOM 0 HB2 PRO A 69 2.148 -17.551 -18.159 1.00 63.45 H new ATOM 0 HB3 PRO A 69 0.720 -16.689 -17.623 1.00 63.45 H new ATOM 0 HG2 PRO A 69 3.573 -16.380 -16.708 1.00 60.43 H new ATOM 0 HG3 PRO A 69 2.389 -15.136 -17.057 1.00 60.43 H new ATOM 0 HD2 PRO A 69 2.940 -15.904 -14.504 1.00 55.23 H new ATOM 0 HD3 PRO A 69 1.343 -15.356 -14.970 1.00 55.23 H new ATOM 1041 N VAL A 70 1.903 -20.557 -16.534 1.00 70.32 N ATOM 1042 CA VAL A 70 2.756 -21.730 -16.687 1.00 52.25 C ATOM 1043 C VAL A 70 2.602 -22.343 -18.075 1.00 24.44 C ATOM 1044 O VAL A 70 1.634 -22.066 -18.783 1.00 64.04 O ATOM 1045 CB VAL A 70 2.435 -22.800 -15.627 1.00 2.53 C ATOM 1046 CG1 VAL A 70 2.553 -22.216 -14.227 1.00 3.10 C ATOM 1047 CG2 VAL A 70 1.047 -23.378 -15.857 1.00 23.23 C ATOM 0 H VAL A 70 0.903 -20.755 -16.570 1.00 70.32 H new ATOM 0 HA VAL A 70 3.784 -21.394 -16.553 1.00 52.25 H new ATOM 0 HB VAL A 70 3.160 -23.609 -15.720 1.00 2.53 H new ATOM 0 HG11 VAL A 70 2.323 -22.986 -13.491 1.00 3.10 H new ATOM 0 HG12 VAL A 70 3.569 -21.854 -14.068 1.00 3.10 H new ATOM 0 HG13 VAL A 70 1.852 -21.388 -14.118 1.00 3.10 H new ATOM 0 HG21 VAL A 70 0.837 -24.132 -15.099 1.00 23.23 H new ATOM 0 HG22 VAL A 70 0.306 -22.582 -15.792 1.00 23.23 H new ATOM 0 HG23 VAL A 70 1.002 -23.835 -16.846 1.00 23.23 H new ATOM 1057 N ILE A 71 3.563 -23.179 -18.456 1.00 10.44 N ATOM 1058 CA ILE A 71 3.534 -23.833 -19.758 1.00 12.51 C ATOM 1059 C ILE A 71 2.752 -25.141 -19.699 1.00 2.51 C ATOM 1060 O ILE A 71 3.254 -26.156 -19.216 1.00 22.20 O ATOM 1061 CB ILE A 71 4.956 -24.120 -20.275 1.00 74.14 C ATOM 1062 CG1 ILE A 71 5.758 -22.821 -20.376 1.00 31.14 C ATOM 1063 CG2 ILE A 71 4.897 -24.818 -21.626 1.00 34.00 C ATOM 1064 CD1 ILE A 71 5.191 -21.836 -21.374 1.00 33.04 C ATOM 0 H ILE A 71 4.371 -23.419 -17.881 1.00 10.44 H new ATOM 0 HA ILE A 71 3.038 -23.147 -20.445 1.00 12.51 H new ATOM 0 HB ILE A 71 5.457 -24.780 -19.567 1.00 74.14 H new ATOM 0 HG12 ILE A 71 5.796 -22.350 -19.394 1.00 31.14 H new ATOM 0 HG13 ILE A 71 6.785 -23.058 -20.655 1.00 31.14 H new ATOM 0 HG21 ILE A 71 5.910 -25.014 -21.979 1.00 34.00 H new ATOM 0 HG22 ILE A 71 4.359 -25.760 -21.525 1.00 34.00 H new ATOM 0 HG23 ILE A 71 4.380 -24.180 -22.343 1.00 34.00 H new ATOM 0 HD11 ILE A 71 5.810 -20.939 -21.392 1.00 33.04 H new ATOM 0 HD12 ILE A 71 5.179 -22.289 -22.365 1.00 33.04 H new ATOM 0 HD13 ILE A 71 4.175 -21.569 -21.085 1.00 33.04 H new ATOM 1076 N THR A 72 1.519 -25.110 -20.195 1.00 43.15 N ATOM 1077 CA THR A 72 0.668 -26.293 -20.200 1.00 53.44 C ATOM 1078 C THR A 72 0.869 -27.109 -21.472 1.00 34.53 C ATOM 1079 O THR A 72 0.957 -28.336 -21.424 1.00 43.21 O ATOM 1080 CB THR A 72 -0.820 -25.914 -20.077 1.00 13.11 C ATOM 1081 OG1 THR A 72 -1.174 -24.977 -21.100 1.00 1.50 O ATOM 1082 CG2 THR A 72 -1.115 -25.315 -18.710 1.00 24.23 C ATOM 0 H THR A 72 1.088 -24.278 -20.598 1.00 43.15 H new ATOM 0 HA THR A 72 0.955 -26.893 -19.337 1.00 53.44 H new ATOM 0 HB THR A 72 -1.413 -26.821 -20.195 1.00 13.11 H new ATOM 0 HG1 THR A 72 -2.122 -24.743 -21.015 1.00 1.50 H new ATOM 0 HG21 THR A 72 -2.172 -25.055 -18.647 1.00 24.23 H new ATOM 0 HG22 THR A 72 -0.873 -26.042 -17.934 1.00 24.23 H new ATOM 0 HG23 THR A 72 -0.512 -24.418 -18.568 1.00 24.23 H new ATOM 1090 N GLU A 73 0.940 -26.421 -22.607 1.00 20.32 N ATOM 1091 CA GLU A 73 1.131 -27.085 -23.891 1.00 75.11 C ATOM 1092 C GLU A 73 2.336 -28.020 -23.847 1.00 0.31 C ATOM 1093 O GLU A 73 3.386 -27.670 -23.309 1.00 25.22 O ATOM 1094 CB GLU A 73 1.314 -26.050 -25.003 1.00 23.20 C ATOM 1095 CG GLU A 73 0.111 -25.143 -25.195 1.00 13.21 C ATOM 1096 CD GLU A 73 0.413 -23.953 -26.086 1.00 31.44 C ATOM 1097 OE1 GLU A 73 1.369 -23.211 -25.779 1.00 2.04 O ATOM 1098 OE2 GLU A 73 -0.306 -23.765 -27.089 1.00 13.33 O ATOM 0 H GLU A 73 0.868 -25.405 -22.664 1.00 20.32 H new ATOM 0 HA GLU A 73 0.241 -27.679 -24.100 1.00 75.11 H new ATOM 0 HB2 GLU A 73 2.187 -25.438 -24.778 1.00 23.20 H new ATOM 0 HB3 GLU A 73 1.521 -26.568 -25.939 1.00 23.20 H new ATOM 0 HG2 GLU A 73 -0.707 -25.718 -25.628 1.00 13.21 H new ATOM 0 HG3 GLU A 73 -0.230 -24.787 -24.223 1.00 13.21 H new ATOM 1105 N SER A 74 2.176 -29.210 -24.416 1.00 73.03 N ATOM 1106 CA SER A 74 3.249 -30.197 -24.440 1.00 10.11 C ATOM 1107 C SER A 74 4.107 -30.036 -25.691 1.00 23.30 C ATOM 1108 O SER A 74 5.325 -30.218 -25.652 1.00 34.45 O ATOM 1109 CB SER A 74 2.671 -31.612 -24.383 1.00 35.13 C ATOM 1110 OG SER A 74 1.635 -31.778 -25.335 1.00 74.42 O ATOM 0 H SER A 74 1.313 -29.514 -24.867 1.00 73.03 H new ATOM 0 HA SER A 74 3.878 -30.034 -23.565 1.00 10.11 H new ATOM 0 HB2 SER A 74 3.461 -32.339 -24.570 1.00 35.13 H new ATOM 0 HB3 SER A 74 2.286 -31.811 -23.383 1.00 35.13 H new ATOM 0 HG SER A 74 1.283 -32.691 -25.280 1.00 74.42 H new ATOM 1116 N THR A 75 3.464 -29.694 -26.803 1.00 13.43 N ATOM 1117 CA THR A 75 4.165 -29.512 -28.067 1.00 4.30 C ATOM 1118 C THR A 75 5.319 -28.527 -27.919 1.00 2.44 C ATOM 1119 O THR A 75 5.208 -27.530 -27.205 1.00 22.40 O ATOM 1120 CB THR A 75 3.215 -29.009 -29.170 1.00 31.11 C ATOM 1121 OG1 THR A 75 3.966 -28.633 -30.330 1.00 34.22 O ATOM 1122 CG2 THR A 75 2.399 -27.822 -28.681 1.00 74.12 C ATOM 0 H THR A 75 2.457 -29.537 -26.853 1.00 13.43 H new ATOM 0 HA THR A 75 4.557 -30.488 -28.353 1.00 4.30 H new ATOM 0 HB THR A 75 2.532 -29.818 -29.427 1.00 31.11 H new ATOM 0 HG1 THR A 75 3.354 -28.316 -31.027 1.00 34.22 H new ATOM 0 HG21 THR A 75 1.735 -27.484 -29.477 1.00 74.12 H new ATOM 0 HG22 THR A 75 1.806 -28.120 -27.816 1.00 74.12 H new ATOM 0 HG23 THR A 75 3.070 -27.011 -28.399 1.00 74.12 H new ATOM 1130 N GLU A 76 6.426 -28.812 -28.598 1.00 11.22 N ATOM 1131 CA GLU A 76 7.600 -27.949 -28.540 1.00 63.40 C ATOM 1132 C GLU A 76 7.253 -26.527 -28.970 1.00 73.22 C ATOM 1133 O GLU A 76 6.124 -26.247 -29.371 1.00 32.22 O ATOM 1134 CB GLU A 76 8.713 -28.506 -29.431 1.00 3.34 C ATOM 1135 CG GLU A 76 8.339 -28.573 -30.902 1.00 22.02 C ATOM 1136 CD GLU A 76 7.661 -29.878 -31.272 1.00 14.40 C ATOM 1137 OE1 GLU A 76 8.218 -30.948 -30.950 1.00 42.20 O ATOM 1138 OE2 GLU A 76 6.573 -29.829 -31.883 1.00 40.34 O ATOM 0 H GLU A 76 6.534 -29.633 -29.194 1.00 11.22 H new ATOM 0 HA GLU A 76 7.949 -27.922 -27.508 1.00 63.40 H new ATOM 0 HB2 GLU A 76 9.602 -27.885 -29.319 1.00 3.34 H new ATOM 0 HB3 GLU A 76 8.977 -29.506 -29.086 1.00 3.34 H new ATOM 0 HG2 GLU A 76 7.676 -27.742 -31.143 1.00 22.02 H new ATOM 0 HG3 GLU A 76 9.237 -28.450 -31.507 1.00 22.02 H new ATOM 1145 N ASN A 77 8.232 -25.633 -28.883 1.00 40.22 N ATOM 1146 CA ASN A 77 8.030 -24.239 -29.262 1.00 63.14 C ATOM 1147 C ASN A 77 6.889 -23.618 -28.463 1.00 52.33 C ATOM 1148 O ASN A 77 6.109 -22.824 -28.990 1.00 31.13 O ATOM 1149 CB ASN A 77 7.736 -24.134 -30.760 1.00 54.11 C ATOM 1150 CG ASN A 77 8.860 -24.692 -31.611 1.00 72.21 C ATOM 1151 OD1 ASN A 77 9.859 -25.189 -31.091 1.00 42.31 O ATOM 1152 ND2 ASN A 77 8.701 -24.613 -32.927 1.00 51.21 N ATOM 0 H ASN A 77 9.173 -25.848 -28.554 1.00 40.22 H new ATOM 0 HA ASN A 77 8.946 -23.691 -29.039 1.00 63.14 H new ATOM 0 HB2 ASN A 77 6.814 -24.670 -30.985 1.00 54.11 H new ATOM 0 HB3 ASN A 77 7.570 -23.089 -31.022 1.00 54.11 H new ATOM 0 HD21 ASN A 77 9.424 -24.973 -33.551 1.00 51.21 H new ATOM 0 HD22 ASN A 77 7.856 -24.193 -33.314 1.00 51.21 H new ATOM 1159 N SER A 78 6.798 -23.984 -27.189 1.00 31.12 N ATOM 1160 CA SER A 78 5.750 -23.466 -26.317 1.00 74.25 C ATOM 1161 C SER A 78 6.095 -22.064 -25.826 1.00 3.20 C ATOM 1162 O SER A 78 7.133 -21.851 -25.198 1.00 72.02 O ATOM 1163 CB SER A 78 5.541 -24.400 -25.124 1.00 25.41 C ATOM 1164 OG SER A 78 4.663 -25.462 -25.454 1.00 61.24 O ATOM 0 H SER A 78 7.438 -24.638 -26.737 1.00 31.12 H new ATOM 0 HA SER A 78 4.826 -23.413 -26.893 1.00 74.25 H new ATOM 0 HB2 SER A 78 6.501 -24.804 -24.803 1.00 25.41 H new ATOM 0 HB3 SER A 78 5.135 -23.836 -24.284 1.00 25.41 H new ATOM 0 HG SER A 78 5.105 -26.067 -26.086 1.00 61.24 H new ATOM 1170 N LYS A 79 5.218 -21.109 -26.116 1.00 71.13 N ATOM 1171 CA LYS A 79 5.428 -19.726 -25.705 1.00 75.02 C ATOM 1172 C LYS A 79 4.183 -19.167 -25.023 1.00 41.52 C ATOM 1173 O LYS A 79 3.070 -19.636 -25.260 1.00 44.32 O ATOM 1174 CB LYS A 79 5.791 -18.862 -26.915 1.00 71.20 C ATOM 1175 CG LYS A 79 4.763 -18.917 -28.032 1.00 64.23 C ATOM 1176 CD LYS A 79 5.417 -18.790 -29.398 1.00 63.30 C ATOM 1177 CE LYS A 79 4.503 -18.090 -30.391 1.00 14.20 C ATOM 1178 NZ LYS A 79 3.605 -19.050 -31.091 1.00 44.04 N ATOM 0 H LYS A 79 4.354 -21.268 -26.635 1.00 71.13 H new ATOM 0 HA LYS A 79 6.252 -19.706 -24.992 1.00 75.02 H new ATOM 0 HB2 LYS A 79 5.908 -17.828 -26.591 1.00 71.20 H new ATOM 0 HB3 LYS A 79 6.756 -19.185 -27.305 1.00 71.20 H new ATOM 0 HG2 LYS A 79 4.214 -19.857 -27.976 1.00 64.23 H new ATOM 0 HG3 LYS A 79 4.037 -18.115 -27.899 1.00 64.23 H new ATOM 0 HD2 LYS A 79 6.350 -18.233 -29.306 1.00 63.30 H new ATOM 0 HD3 LYS A 79 5.673 -19.781 -29.773 1.00 63.30 H new ATOM 0 HE2 LYS A 79 3.902 -17.345 -29.869 1.00 14.20 H new ATOM 0 HE3 LYS A 79 5.106 -17.555 -31.125 1.00 14.20 H new ATOM 0 HZ1 LYS A 79 2.998 -18.534 -31.759 1.00 44.04 H new ATOM 0 HZ2 LYS A 79 4.178 -19.746 -31.610 1.00 44.04 H new ATOM 0 HZ3 LYS A 79 3.011 -19.542 -30.393 1.00 44.04 H new ATOM 1192 N MET A 80 4.379 -18.161 -24.177 1.00 3.30 N ATOM 1193 CA MET A 80 3.271 -17.535 -23.464 1.00 64.21 C ATOM 1194 C MET A 80 3.447 -16.021 -23.407 1.00 24.10 C ATOM 1195 O MET A 80 4.537 -15.524 -23.124 1.00 30.12 O ATOM 1196 CB MET A 80 3.164 -18.102 -22.047 1.00 41.30 C ATOM 1197 CG MET A 80 1.763 -18.020 -21.464 1.00 54.23 C ATOM 1198 SD MET A 80 1.432 -19.324 -20.264 1.00 2.24 S ATOM 1199 CE MET A 80 0.684 -20.568 -21.313 1.00 23.25 C ATOM 0 H MET A 80 5.294 -17.762 -23.968 1.00 3.30 H new ATOM 0 HA MET A 80 2.351 -17.755 -24.006 1.00 64.21 H new ATOM 0 HB2 MET A 80 3.484 -19.144 -22.056 1.00 41.30 H new ATOM 0 HB3 MET A 80 3.852 -17.563 -21.396 1.00 41.30 H new ATOM 0 HG2 MET A 80 1.629 -17.050 -20.986 1.00 54.23 H new ATOM 0 HG3 MET A 80 1.034 -18.081 -22.272 1.00 54.23 H new ATOM 0 HE1 MET A 80 -0.326 -20.781 -20.962 1.00 23.25 H new ATOM 0 HE2 MET A 80 0.642 -20.201 -22.339 1.00 23.25 H new ATOM 0 HE3 MET A 80 1.280 -21.480 -21.278 1.00 23.25 H new ATOM 1209 N MET A 81 2.369 -15.294 -23.678 1.00 14.20 N ATOM 1210 CA MET A 81 2.405 -13.836 -23.655 1.00 34.12 C ATOM 1211 C MET A 81 2.337 -13.313 -22.223 1.00 72.35 C ATOM 1212 O MET A 81 1.439 -13.675 -21.461 1.00 64.34 O ATOM 1213 CB MET A 81 1.247 -13.263 -24.475 1.00 21.01 C ATOM 1214 CG MET A 81 1.309 -11.753 -24.640 1.00 74.22 C ATOM 1215 SD MET A 81 0.377 -10.877 -23.369 1.00 40.23 S ATOM 1216 CE MET A 81 -1.304 -11.224 -23.882 1.00 2.32 C ATOM 0 H MET A 81 1.460 -15.690 -23.916 1.00 14.20 H new ATOM 0 HA MET A 81 3.348 -13.514 -24.097 1.00 34.12 H new ATOM 0 HB2 MET A 81 1.245 -13.728 -25.461 1.00 21.01 H new ATOM 0 HB3 MET A 81 0.305 -13.530 -23.995 1.00 21.01 H new ATOM 0 HG2 MET A 81 2.350 -11.430 -24.609 1.00 74.22 H new ATOM 0 HG3 MET A 81 0.920 -11.482 -25.622 1.00 74.22 H new ATOM 0 HE1 MET A 81 -1.978 -10.491 -23.439 1.00 2.32 H new ATOM 0 HE2 MET A 81 -1.372 -11.169 -24.969 1.00 2.32 H new ATOM 0 HE3 MET A 81 -1.586 -12.223 -23.551 1.00 2.32 H new ATOM 1226 N LEU A 82 3.290 -12.461 -21.864 1.00 63.00 N ATOM 1227 CA LEU A 82 3.339 -11.888 -20.523 1.00 72.32 C ATOM 1228 C LEU A 82 2.972 -10.408 -20.550 1.00 2.12 C ATOM 1229 O LEU A 82 2.937 -9.787 -21.612 1.00 11.15 O ATOM 1230 CB LEU A 82 4.733 -12.069 -19.920 1.00 72.41 C ATOM 1231 CG LEU A 82 4.989 -13.399 -19.210 1.00 65.12 C ATOM 1232 CD1 LEU A 82 4.227 -13.459 -17.896 1.00 13.41 C ATOM 1233 CD2 LEU A 82 4.602 -14.566 -20.107 1.00 41.11 C ATOM 0 H LEU A 82 4.040 -12.151 -22.482 1.00 63.00 H new ATOM 0 HA LEU A 82 2.612 -12.413 -19.904 1.00 72.32 H new ATOM 0 HB2 LEU A 82 5.469 -11.958 -20.716 1.00 72.41 H new ATOM 0 HB3 LEU A 82 4.907 -11.261 -19.209 1.00 72.41 H new ATOM 0 HG LEU A 82 6.054 -13.472 -18.992 1.00 65.12 H new ATOM 0 HD11 LEU A 82 4.422 -14.413 -17.406 1.00 13.41 H new ATOM 0 HD12 LEU A 82 4.553 -12.645 -17.249 1.00 13.41 H new ATOM 0 HD13 LEU A 82 3.159 -13.362 -18.090 1.00 13.41 H new ATOM 0 HD21 LEU A 82 4.791 -15.504 -19.585 1.00 41.11 H new ATOM 0 HD22 LEU A 82 3.543 -14.497 -20.357 1.00 41.11 H new ATOM 0 HD23 LEU A 82 5.194 -14.534 -21.022 1.00 41.11 H new ATOM 1245 N GLU A 83 2.702 -9.849 -19.374 1.00 61.12 N ATOM 1246 CA GLU A 83 2.339 -8.441 -19.264 1.00 34.21 C ATOM 1247 C GLU A 83 3.252 -7.719 -18.278 1.00 65.00 C ATOM 1248 O GLU A 83 3.354 -8.103 -17.112 1.00 52.10 O ATOM 1249 CB GLU A 83 0.881 -8.301 -18.821 1.00 74.22 C ATOM 1250 CG GLU A 83 -0.109 -8.304 -19.975 1.00 24.14 C ATOM 1251 CD GLU A 83 -1.508 -7.910 -19.544 1.00 0.31 C ATOM 1252 OE1 GLU A 83 -2.403 -8.780 -19.570 1.00 33.25 O ATOM 1253 OE2 GLU A 83 -1.708 -6.732 -19.182 1.00 11.33 O ATOM 0 H GLU A 83 2.728 -10.349 -18.485 1.00 61.12 H new ATOM 0 HA GLU A 83 2.459 -7.984 -20.246 1.00 34.21 H new ATOM 0 HB2 GLU A 83 0.637 -9.117 -18.141 1.00 74.22 H new ATOM 0 HB3 GLU A 83 0.768 -7.374 -18.259 1.00 74.22 H new ATOM 0 HG2 GLU A 83 0.236 -7.616 -20.747 1.00 24.14 H new ATOM 0 HG3 GLU A 83 -0.137 -9.298 -20.422 1.00 24.14 H new ATOM 1260 N LEU A 84 3.916 -6.672 -18.754 1.00 45.35 N ATOM 1261 CA LEU A 84 4.823 -5.894 -17.916 1.00 75.31 C ATOM 1262 C LEU A 84 4.537 -4.401 -18.044 1.00 33.50 C ATOM 1263 O LEU A 84 4.335 -3.890 -19.146 1.00 31.14 O ATOM 1264 CB LEU A 84 6.276 -6.182 -18.298 1.00 55.43 C ATOM 1265 CG LEU A 84 6.598 -7.630 -18.669 1.00 4.42 C ATOM 1266 CD1 LEU A 84 8.066 -7.771 -19.040 1.00 24.01 C ATOM 1267 CD2 LEU A 84 6.244 -8.565 -17.522 1.00 74.23 C ATOM 0 H LEU A 84 3.844 -6.342 -19.716 1.00 45.35 H new ATOM 0 HA LEU A 84 4.662 -6.188 -16.879 1.00 75.31 H new ATOM 0 HB2 LEU A 84 6.542 -5.544 -19.141 1.00 55.43 H new ATOM 0 HB3 LEU A 84 6.915 -5.891 -17.464 1.00 55.43 H new ATOM 0 HG LEU A 84 5.997 -7.906 -19.535 1.00 4.42 H new ATOM 0 HD11 LEU A 84 8.277 -8.808 -19.301 1.00 24.01 H new ATOM 0 HD12 LEU A 84 8.289 -7.129 -19.892 1.00 24.01 H new ATOM 0 HD13 LEU A 84 8.685 -7.477 -18.193 1.00 24.01 H new ATOM 0 HD21 LEU A 84 6.480 -9.591 -17.803 1.00 74.23 H new ATOM 0 HD22 LEU A 84 6.819 -8.290 -16.638 1.00 74.23 H new ATOM 0 HD23 LEU A 84 5.179 -8.484 -17.302 1.00 74.23 H new ATOM 1279 N ASP A 85 4.523 -3.708 -16.911 1.00 42.11 N ATOM 1280 CA ASP A 85 4.265 -2.273 -16.896 1.00 50.33 C ATOM 1281 C ASP A 85 5.395 -1.525 -16.195 1.00 54.53 C ATOM 1282 O ASP A 85 5.233 -0.996 -15.095 1.00 22.31 O ATOM 1283 CB ASP A 85 2.934 -1.980 -16.202 1.00 2.53 C ATOM 1284 CG ASP A 85 2.619 -0.497 -16.156 1.00 24.24 C ATOM 1285 OD1 ASP A 85 2.140 0.040 -17.176 1.00 65.05 O ATOM 1286 OD2 ASP A 85 2.851 0.125 -15.099 1.00 1.55 O ATOM 0 H ASP A 85 4.687 -4.117 -15.991 1.00 42.11 H new ATOM 0 HA ASP A 85 4.211 -1.927 -17.928 1.00 50.33 H new ATOM 0 HB2 ASP A 85 2.133 -2.503 -16.724 1.00 2.53 H new ATOM 0 HB3 ASP A 85 2.963 -2.374 -15.186 1.00 2.53 H new ATOM 1291 N PRO A 86 6.567 -1.478 -16.845 1.00 71.13 N ATOM 1292 CA PRO A 86 7.746 -0.798 -16.303 1.00 5.42 C ATOM 1293 C PRO A 86 7.584 0.719 -16.286 1.00 23.53 C ATOM 1294 O PRO A 86 6.667 1.276 -16.888 1.00 74.43 O ATOM 1295 CB PRO A 86 8.865 -1.205 -17.265 1.00 51.13 C ATOM 1296 CG PRO A 86 8.169 -1.517 -18.545 1.00 14.12 C ATOM 1297 CD PRO A 86 6.831 -2.086 -18.160 1.00 70.03 C ATOM 0 HA PRO A 86 7.935 -1.076 -15.266 1.00 5.42 H new ATOM 0 HB2 PRO A 86 9.589 -0.400 -17.394 1.00 51.13 H new ATOM 0 HB3 PRO A 86 9.413 -2.070 -16.891 1.00 51.13 H new ATOM 0 HG2 PRO A 86 8.051 -0.621 -19.154 1.00 14.12 H new ATOM 0 HG3 PRO A 86 8.741 -2.231 -19.137 1.00 14.12 H new ATOM 0 HD2 PRO A 86 6.060 -1.826 -18.885 1.00 70.03 H new ATOM 0 HD3 PRO A 86 6.859 -3.174 -18.101 1.00 70.03 H new ATOM 1305 N PRO A 87 8.496 1.404 -15.580 1.00 12.03 N ATOM 1306 CA PRO A 87 8.476 2.866 -15.469 1.00 34.42 C ATOM 1307 C PRO A 87 8.834 3.552 -16.783 1.00 33.43 C ATOM 1308 O PRO A 87 8.960 2.901 -17.820 1.00 64.31 O ATOM 1309 CB PRO A 87 9.539 3.155 -14.407 1.00 3.50 C ATOM 1310 CG PRO A 87 10.466 1.991 -14.472 1.00 3.04 C ATOM 1311 CD PRO A 87 9.617 0.805 -14.836 1.00 13.12 C ATOM 0 HA PRO A 87 7.485 3.242 -15.213 1.00 34.42 H new ATOM 0 HB2 PRO A 87 10.061 4.089 -14.614 1.00 3.50 H new ATOM 0 HB3 PRO A 87 9.093 3.251 -13.417 1.00 3.50 H new ATOM 0 HG2 PRO A 87 11.247 2.155 -15.215 1.00 3.04 H new ATOM 0 HG3 PRO A 87 10.964 1.835 -13.515 1.00 3.04 H new ATOM 0 HD2 PRO A 87 10.167 0.089 -15.446 1.00 13.12 H new ATOM 0 HD3 PRO A 87 9.272 0.271 -13.951 1.00 13.12 H new ATOM 1319 N PHE A 88 8.996 4.870 -16.732 1.00 21.43 N ATOM 1320 CA PHE A 88 9.338 5.644 -17.919 1.00 11.31 C ATOM 1321 C PHE A 88 10.850 5.805 -18.047 1.00 31.30 C ATOM 1322 O PHE A 88 11.438 6.726 -17.482 1.00 34.24 O ATOM 1323 CB PHE A 88 8.670 7.020 -17.866 1.00 4.14 C ATOM 1324 CG PHE A 88 7.214 6.966 -17.502 1.00 41.22 C ATOM 1325 CD1 PHE A 88 6.245 6.852 -18.486 1.00 12.34 C ATOM 1326 CD2 PHE A 88 6.814 7.030 -16.177 1.00 24.00 C ATOM 1327 CE1 PHE A 88 4.904 6.802 -18.155 1.00 13.05 C ATOM 1328 CE2 PHE A 88 5.475 6.980 -15.840 1.00 20.31 C ATOM 1329 CZ PHE A 88 4.518 6.867 -16.830 1.00 24.11 C ATOM 0 H PHE A 88 8.896 5.424 -15.881 1.00 21.43 H new ATOM 0 HA PHE A 88 8.973 5.103 -18.792 1.00 11.31 H new ATOM 0 HB2 PHE A 88 9.195 7.642 -17.141 1.00 4.14 H new ATOM 0 HB3 PHE A 88 8.776 7.504 -18.837 1.00 4.14 H new ATOM 0 HD1 PHE A 88 6.541 6.802 -19.523 1.00 12.34 H new ATOM 0 HD2 PHE A 88 7.557 7.120 -15.399 1.00 24.00 H new ATOM 0 HE1 PHE A 88 4.159 6.712 -18.931 1.00 13.05 H new ATOM 0 HE2 PHE A 88 5.177 7.029 -14.803 1.00 20.31 H new ATOM 0 HZ PHE A 88 3.471 6.830 -16.569 1.00 24.11 H new ATOM 1339 N GLY A 89 11.474 4.900 -18.795 1.00 30.51 N ATOM 1340 CA GLY A 89 12.912 4.956 -18.983 1.00 12.43 C ATOM 1341 C GLY A 89 13.434 3.800 -19.812 1.00 43.21 C ATOM 1342 O GLY A 89 12.714 3.250 -20.646 1.00 4.22 O ATOM 0 H GLY A 89 11.009 4.129 -19.274 1.00 30.51 H new ATOM 0 HA2 GLY A 89 13.175 5.895 -19.469 1.00 12.43 H new ATOM 0 HA3 GLY A 89 13.403 4.952 -18.010 1.00 12.43 H new ATOM 1346 N ASP A 90 14.690 3.432 -19.585 1.00 62.52 N ATOM 1347 CA ASP A 90 15.309 2.333 -20.318 1.00 41.34 C ATOM 1348 C ASP A 90 15.703 1.202 -19.373 1.00 55.43 C ATOM 1349 O ASP A 90 15.968 1.430 -18.193 1.00 42.52 O ATOM 1350 CB ASP A 90 16.539 2.830 -21.080 1.00 22.51 C ATOM 1351 CG ASP A 90 17.757 2.967 -20.187 1.00 34.32 C ATOM 1352 OD1 ASP A 90 18.740 2.229 -20.407 1.00 3.03 O ATOM 1353 OD2 ASP A 90 17.726 3.812 -19.269 1.00 0.24 O ATOM 0 H ASP A 90 15.300 3.878 -18.900 1.00 62.52 H new ATOM 0 HA ASP A 90 14.580 1.948 -21.031 1.00 41.34 H new ATOM 0 HB2 ASP A 90 16.763 2.139 -21.892 1.00 22.51 H new ATOM 0 HB3 ASP A 90 16.315 3.795 -21.535 1.00 22.51 H new ATOM 1358 N SER A 91 15.737 -0.017 -19.900 1.00 74.51 N ATOM 1359 CA SER A 91 16.094 -1.185 -19.103 1.00 13.25 C ATOM 1360 C SER A 91 16.352 -2.395 -19.996 1.00 0.54 C ATOM 1361 O SER A 91 16.252 -2.309 -21.220 1.00 23.12 O ATOM 1362 CB SER A 91 14.982 -1.504 -18.101 1.00 60.11 C ATOM 1363 OG SER A 91 15.077 -0.678 -16.954 1.00 15.13 O ATOM 0 H SER A 91 15.522 -0.222 -20.876 1.00 74.51 H new ATOM 0 HA SER A 91 17.010 -0.956 -18.558 1.00 13.25 H new ATOM 0 HB2 SER A 91 14.010 -1.364 -18.575 1.00 60.11 H new ATOM 0 HB3 SER A 91 15.044 -2.551 -17.805 1.00 60.11 H new ATOM 0 HG SER A 91 15.702 0.056 -17.130 1.00 15.13 H new ATOM 1369 N TYR A 92 16.685 -3.520 -19.374 1.00 35.30 N ATOM 1370 CA TYR A 92 16.959 -4.748 -20.111 1.00 43.01 C ATOM 1371 C TYR A 92 16.000 -5.859 -19.696 1.00 21.25 C ATOM 1372 O TYR A 92 15.979 -6.275 -18.537 1.00 10.35 O ATOM 1373 CB TYR A 92 18.404 -5.194 -19.881 1.00 3.44 C ATOM 1374 CG TYR A 92 19.414 -4.420 -20.698 1.00 2.24 C ATOM 1375 CD1 TYR A 92 20.160 -3.396 -20.127 1.00 43.21 C ATOM 1376 CD2 TYR A 92 19.622 -4.712 -22.040 1.00 14.20 C ATOM 1377 CE1 TYR A 92 21.084 -2.686 -20.870 1.00 13.43 C ATOM 1378 CE2 TYR A 92 20.544 -4.008 -22.790 1.00 11.11 C ATOM 1379 CZ TYR A 92 21.272 -2.996 -22.200 1.00 42.34 C ATOM 1380 OH TYR A 92 22.191 -2.291 -22.944 1.00 72.24 O ATOM 0 H TYR A 92 16.772 -3.607 -18.361 1.00 35.30 H new ATOM 0 HA TYR A 92 16.813 -4.545 -21.172 1.00 43.01 H new ATOM 0 HB2 TYR A 92 18.645 -5.086 -18.823 1.00 3.44 H new ATOM 0 HB3 TYR A 92 18.491 -6.254 -20.121 1.00 3.44 H new ATOM 0 HD1 TYR A 92 20.015 -3.151 -19.085 1.00 43.21 H new ATOM 0 HD2 TYR A 92 19.053 -5.503 -22.505 1.00 14.20 H new ATOM 0 HE1 TYR A 92 21.656 -1.893 -20.411 1.00 13.43 H new ATOM 0 HE2 TYR A 92 20.694 -4.249 -23.832 1.00 11.11 H new ATOM 0 HH TYR A 92 22.202 -2.634 -23.862 1.00 72.24 H new ATOM 1390 N ILE A 93 15.208 -6.336 -20.650 1.00 65.12 N ATOM 1391 CA ILE A 93 14.248 -7.400 -20.385 1.00 25.40 C ATOM 1392 C ILE A 93 14.926 -8.767 -20.393 1.00 51.55 C ATOM 1393 O ILE A 93 15.217 -9.321 -21.454 1.00 1.44 O ATOM 1394 CB ILE A 93 13.107 -7.399 -21.419 1.00 20.41 C ATOM 1395 CG1 ILE A 93 12.362 -6.063 -21.388 1.00 23.25 C ATOM 1396 CG2 ILE A 93 12.150 -8.552 -21.153 1.00 1.25 C ATOM 1397 CD1 ILE A 93 11.832 -5.635 -22.738 1.00 44.11 C ATOM 0 H ILE A 93 15.212 -6.002 -21.614 1.00 65.12 H new ATOM 0 HA ILE A 93 13.831 -7.210 -19.396 1.00 25.40 H new ATOM 0 HB ILE A 93 13.537 -7.531 -22.412 1.00 20.41 H new ATOM 0 HG12 ILE A 93 11.531 -6.136 -20.687 1.00 23.25 H new ATOM 0 HG13 ILE A 93 13.032 -5.291 -21.009 1.00 23.25 H new ATOM 0 HG21 ILE A 93 11.349 -8.538 -21.892 1.00 1.25 H new ATOM 0 HG22 ILE A 93 12.690 -9.496 -21.221 1.00 1.25 H new ATOM 0 HG23 ILE A 93 11.725 -8.449 -20.155 1.00 1.25 H new ATOM 0 HD11 ILE A 93 11.316 -4.680 -22.640 1.00 44.11 H new ATOM 0 HD12 ILE A 93 12.661 -5.529 -23.438 1.00 44.11 H new ATOM 0 HD13 ILE A 93 11.137 -6.387 -23.111 1.00 44.11 H new ATOM 1409 N VAL A 94 15.173 -9.306 -19.204 1.00 11.00 N ATOM 1410 CA VAL A 94 15.812 -10.610 -19.074 1.00 5.33 C ATOM 1411 C VAL A 94 14.791 -11.693 -18.747 1.00 13.11 C ATOM 1412 O VAL A 94 13.914 -11.499 -17.905 1.00 15.13 O ATOM 1413 CB VAL A 94 16.897 -10.596 -17.980 1.00 43.03 C ATOM 1414 CG1 VAL A 94 17.545 -11.966 -17.854 1.00 23.34 C ATOM 1415 CG2 VAL A 94 17.940 -9.529 -18.278 1.00 61.44 C ATOM 0 H VAL A 94 14.940 -8.860 -18.317 1.00 11.00 H new ATOM 0 HA VAL A 94 16.277 -10.832 -20.035 1.00 5.33 H new ATOM 0 HB VAL A 94 16.425 -10.354 -17.027 1.00 43.03 H new ATOM 0 HG11 VAL A 94 18.309 -11.937 -17.077 1.00 23.34 H new ATOM 0 HG12 VAL A 94 16.787 -12.704 -17.591 1.00 23.34 H new ATOM 0 HG13 VAL A 94 18.004 -12.240 -18.804 1.00 23.34 H new ATOM 0 HG21 VAL A 94 18.699 -9.533 -17.495 1.00 61.44 H new ATOM 0 HG22 VAL A 94 18.409 -9.738 -19.239 1.00 61.44 H new ATOM 0 HG23 VAL A 94 17.460 -8.551 -18.313 1.00 61.44 H new ATOM 1425 N ILE A 95 14.911 -12.833 -19.418 1.00 75.30 N ATOM 1426 CA ILE A 95 13.997 -13.948 -19.199 1.00 10.22 C ATOM 1427 C ILE A 95 14.718 -15.134 -18.567 1.00 1.41 C ATOM 1428 O ILE A 95 15.794 -15.529 -19.014 1.00 32.31 O ATOM 1429 CB ILE A 95 13.339 -14.403 -20.514 1.00 73.45 C ATOM 1430 CG1 ILE A 95 12.569 -13.245 -21.153 1.00 31.42 C ATOM 1431 CG2 ILE A 95 12.415 -15.586 -20.263 1.00 0.21 C ATOM 1432 CD1 ILE A 95 11.400 -12.766 -20.321 1.00 51.22 C ATOM 0 H ILE A 95 15.632 -13.009 -20.118 1.00 75.30 H new ATOM 0 HA ILE A 95 13.223 -13.592 -18.519 1.00 10.22 H new ATOM 0 HB ILE A 95 14.122 -14.718 -21.204 1.00 73.45 H new ATOM 0 HG12 ILE A 95 13.252 -12.412 -21.319 1.00 31.42 H new ATOM 0 HG13 ILE A 95 12.204 -13.558 -22.132 1.00 31.42 H new ATOM 0 HG21 ILE A 95 11.957 -15.896 -21.202 1.00 0.21 H new ATOM 0 HG22 ILE A 95 12.989 -16.415 -19.848 1.00 0.21 H new ATOM 0 HG23 ILE A 95 11.636 -15.296 -19.558 1.00 0.21 H new ATOM 0 HD11 ILE A 95 10.900 -11.944 -20.834 1.00 51.22 H new ATOM 0 HD12 ILE A 95 10.696 -13.586 -20.177 1.00 51.22 H new ATOM 0 HD13 ILE A 95 11.760 -12.422 -19.351 1.00 51.22 H new ATOM 1444 N GLY A 96 14.116 -15.698 -17.524 1.00 63.23 N ATOM 1445 CA GLY A 96 14.715 -16.834 -16.848 1.00 72.31 C ATOM 1446 C GLY A 96 16.157 -16.582 -16.456 1.00 0.42 C ATOM 1447 O GLY A 96 16.595 -15.434 -16.378 1.00 40.32 O ATOM 0 H GLY A 96 13.225 -15.389 -17.136 1.00 63.23 H new ATOM 0 HA2 GLY A 96 14.135 -17.069 -15.955 1.00 72.31 H new ATOM 0 HA3 GLY A 96 14.666 -17.707 -17.499 1.00 72.31 H new ATOM 1451 N VAL A 97 16.898 -17.657 -16.206 1.00 11.31 N ATOM 1452 CA VAL A 97 18.299 -17.546 -15.818 1.00 60.32 C ATOM 1453 C VAL A 97 19.141 -18.629 -16.484 1.00 75.04 C ATOM 1454 O VAL A 97 18.609 -19.584 -17.049 1.00 54.34 O ATOM 1455 CB VAL A 97 18.468 -17.647 -14.291 1.00 22.34 C ATOM 1456 CG1 VAL A 97 17.666 -16.561 -13.591 1.00 52.43 C ATOM 1457 CG2 VAL A 97 18.055 -19.026 -13.799 1.00 60.42 C ATOM 0 H VAL A 97 16.551 -18.614 -16.265 1.00 11.31 H new ATOM 0 HA VAL A 97 18.643 -16.566 -16.150 1.00 60.32 H new ATOM 0 HB VAL A 97 19.521 -17.500 -14.050 1.00 22.34 H new ATOM 0 HG11 VAL A 97 17.798 -16.649 -12.513 1.00 52.43 H new ATOM 0 HG12 VAL A 97 18.014 -15.582 -13.921 1.00 52.43 H new ATOM 0 HG13 VAL A 97 16.610 -16.673 -13.837 1.00 52.43 H new ATOM 0 HG21 VAL A 97 18.181 -19.079 -12.718 1.00 60.42 H new ATOM 0 HG22 VAL A 97 17.010 -19.205 -14.052 1.00 60.42 H new ATOM 0 HG23 VAL A 97 18.678 -19.784 -14.275 1.00 60.42 H new ATOM 1467 N GLY A 98 20.459 -18.474 -16.413 1.00 42.35 N ATOM 1468 CA GLY A 98 21.354 -19.446 -17.014 1.00 0.23 C ATOM 1469 C GLY A 98 22.518 -18.795 -17.734 1.00 5.15 C ATOM 1470 O GLY A 98 22.740 -17.591 -17.606 1.00 71.32 O ATOM 0 H GLY A 98 20.923 -17.693 -15.950 1.00 42.35 H new ATOM 0 HA2 GLY A 98 21.736 -20.111 -16.239 1.00 0.23 H new ATOM 0 HA3 GLY A 98 20.795 -20.064 -17.717 1.00 0.23 H new ATOM 1474 N GLU A 99 23.265 -19.593 -18.490 1.00 62.03 N ATOM 1475 CA GLU A 99 24.415 -19.087 -19.231 1.00 13.51 C ATOM 1476 C GLU A 99 23.980 -18.478 -20.561 1.00 14.10 C ATOM 1477 O GLU A 99 24.564 -17.501 -21.031 1.00 33.31 O ATOM 1478 CB GLU A 99 25.425 -20.209 -19.477 1.00 44.53 C ATOM 1479 CG GLU A 99 24.933 -21.269 -20.447 1.00 70.24 C ATOM 1480 CD GLU A 99 25.688 -22.578 -20.314 1.00 15.35 C ATOM 1481 OE1 GLU A 99 26.637 -22.797 -21.095 1.00 12.00 O ATOM 1482 OE2 GLU A 99 25.329 -23.382 -19.428 1.00 61.13 O ATOM 0 H GLU A 99 23.095 -20.592 -18.606 1.00 62.03 H new ATOM 0 HA GLU A 99 24.887 -18.308 -18.632 1.00 13.51 H new ATOM 0 HB2 GLU A 99 26.349 -19.777 -19.862 1.00 44.53 H new ATOM 0 HB3 GLU A 99 25.667 -20.683 -18.526 1.00 44.53 H new ATOM 0 HG2 GLU A 99 23.871 -21.447 -20.276 1.00 70.24 H new ATOM 0 HG3 GLU A 99 25.034 -20.898 -21.467 1.00 70.24 H new ATOM 1489 N LYS A 100 22.950 -19.063 -21.164 1.00 11.43 N ATOM 1490 CA LYS A 100 22.434 -18.580 -22.439 1.00 43.41 C ATOM 1491 C LYS A 100 21.264 -17.625 -22.226 1.00 40.44 C ATOM 1492 O LYS A 100 20.325 -17.590 -23.022 1.00 33.14 O ATOM 1493 CB LYS A 100 21.994 -19.756 -23.313 1.00 72.11 C ATOM 1494 CG LYS A 100 23.149 -20.596 -23.830 1.00 41.54 C ATOM 1495 CD LYS A 100 23.703 -20.040 -25.132 1.00 20.12 C ATOM 1496 CE LYS A 100 24.737 -20.975 -25.741 1.00 53.54 C ATOM 1497 NZ LYS A 100 24.107 -22.005 -26.612 1.00 63.44 N ATOM 0 H LYS A 100 22.456 -19.873 -20.789 1.00 11.43 H new ATOM 0 HA LYS A 100 23.234 -18.039 -22.945 1.00 43.41 H new ATOM 0 HB2 LYS A 100 21.321 -20.393 -22.739 1.00 72.11 H new ATOM 0 HB3 LYS A 100 21.425 -19.375 -24.161 1.00 72.11 H new ATOM 0 HG2 LYS A 100 23.940 -20.629 -23.081 1.00 41.54 H new ATOM 0 HG3 LYS A 100 22.814 -21.622 -23.984 1.00 41.54 H new ATOM 0 HD2 LYS A 100 22.888 -19.886 -25.839 1.00 20.12 H new ATOM 0 HD3 LYS A 100 24.155 -19.065 -24.950 1.00 20.12 H new ATOM 0 HE2 LYS A 100 25.453 -20.395 -26.324 1.00 53.54 H new ATOM 0 HE3 LYS A 100 25.297 -21.466 -24.945 1.00 53.54 H new ATOM 0 HZ1 LYS A 100 24.844 -22.623 -27.008 1.00 63.44 H new ATOM 0 HZ2 LYS A 100 23.443 -22.575 -26.051 1.00 63.44 H new ATOM 0 HZ3 LYS A 100 23.594 -21.538 -27.387 1.00 63.44 H new ATOM 1511 N LYS A 101 21.327 -16.849 -21.149 1.00 64.32 N ATOM 1512 CA LYS A 101 20.274 -15.892 -20.832 1.00 3.00 C ATOM 1513 C LYS A 101 19.967 -15.003 -22.033 1.00 60.41 C ATOM 1514 O LYS A 101 20.851 -14.701 -22.835 1.00 51.13 O ATOM 1515 CB LYS A 101 20.685 -15.028 -19.637 1.00 73.50 C ATOM 1516 CG LYS A 101 20.416 -15.683 -18.293 1.00 12.21 C ATOM 1517 CD LYS A 101 21.154 -14.974 -17.170 1.00 11.41 C ATOM 1518 CE LYS A 101 20.194 -14.472 -16.102 1.00 22.13 C ATOM 1519 NZ LYS A 101 20.757 -13.318 -15.347 1.00 65.35 N ATOM 0 H LYS A 101 22.097 -16.864 -20.481 1.00 64.32 H new ATOM 0 HA LYS A 101 19.374 -16.451 -20.577 1.00 3.00 H new ATOM 0 HB2 LYS A 101 21.748 -14.798 -19.714 1.00 73.50 H new ATOM 0 HB3 LYS A 101 20.150 -14.080 -19.683 1.00 73.50 H new ATOM 0 HG2 LYS A 101 19.345 -15.672 -18.090 1.00 12.21 H new ATOM 0 HG3 LYS A 101 20.723 -16.728 -18.329 1.00 12.21 H new ATOM 0 HD2 LYS A 101 21.876 -15.656 -16.720 1.00 11.41 H new ATOM 0 HD3 LYS A 101 21.718 -14.135 -17.577 1.00 11.41 H new ATOM 0 HE2 LYS A 101 19.254 -14.177 -16.569 1.00 22.13 H new ATOM 0 HE3 LYS A 101 19.965 -15.282 -15.410 1.00 22.13 H new ATOM 0 HZ1 LYS A 101 20.072 -13.006 -14.629 1.00 65.35 H new ATOM 0 HZ2 LYS A 101 21.641 -13.606 -14.881 1.00 65.35 H new ATOM 0 HZ3 LYS A 101 20.951 -12.535 -16.004 1.00 65.35 H new ATOM 1533 N ILE A 102 18.710 -14.588 -22.150 1.00 4.45 N ATOM 1534 CA ILE A 102 18.289 -13.731 -23.251 1.00 33.10 C ATOM 1535 C ILE A 102 17.909 -12.341 -22.752 1.00 40.01 C ATOM 1536 O ILE A 102 17.268 -12.196 -21.711 1.00 11.13 O ATOM 1537 CB ILE A 102 17.092 -14.337 -24.009 1.00 5.41 C ATOM 1538 CG1 ILE A 102 15.846 -14.338 -23.121 1.00 41.23 C ATOM 1539 CG2 ILE A 102 17.420 -15.748 -24.474 1.00 14.21 C ATOM 1540 CD1 ILE A 102 14.627 -14.932 -23.792 1.00 24.22 C ATOM 0 H ILE A 102 17.966 -14.831 -21.496 1.00 4.45 H new ATOM 0 HA ILE A 102 19.137 -13.651 -23.931 1.00 33.10 H new ATOM 0 HB ILE A 102 16.888 -13.724 -24.887 1.00 5.41 H new ATOM 0 HG12 ILE A 102 16.059 -14.898 -22.211 1.00 41.23 H new ATOM 0 HG13 ILE A 102 15.623 -13.314 -22.821 1.00 41.23 H new ATOM 0 HG21 ILE A 102 16.565 -16.163 -25.008 1.00 14.21 H new ATOM 0 HG22 ILE A 102 18.284 -15.721 -25.138 1.00 14.21 H new ATOM 0 HG23 ILE A 102 17.646 -16.373 -23.610 1.00 14.21 H new ATOM 0 HD11 ILE A 102 13.782 -14.900 -23.105 1.00 24.22 H new ATOM 0 HD12 ILE A 102 14.389 -14.358 -24.687 1.00 24.22 H new ATOM 0 HD13 ILE A 102 14.831 -15.967 -24.068 1.00 24.22 H new ATOM 1552 N THR A 103 18.308 -11.319 -23.503 1.00 73.25 N ATOM 1553 CA THR A 103 18.010 -9.940 -23.138 1.00 74.15 C ATOM 1554 C THR A 103 17.622 -9.119 -24.363 1.00 14.13 C ATOM 1555 O THR A 103 18.003 -9.444 -25.487 1.00 64.14 O ATOM 1556 CB THR A 103 19.211 -9.270 -22.445 1.00 31.32 C ATOM 1557 OG1 THR A 103 20.383 -9.406 -23.256 1.00 41.00 O ATOM 1558 CG2 THR A 103 19.460 -9.889 -21.077 1.00 51.34 C ATOM 0 H THR A 103 18.839 -11.421 -24.368 1.00 73.25 H new ATOM 0 HA THR A 103 17.170 -9.971 -22.444 1.00 74.15 H new ATOM 0 HB THR A 103 18.983 -8.213 -22.312 1.00 31.32 H new ATOM 0 HG1 THR A 103 21.142 -8.976 -22.809 1.00 41.00 H new ATOM 0 HG21 THR A 103 20.313 -9.400 -20.606 1.00 51.34 H new ATOM 0 HG22 THR A 103 18.576 -9.758 -20.452 1.00 51.34 H new ATOM 0 HG23 THR A 103 19.669 -10.953 -21.192 1.00 51.34 H new ATOM 1566 N HIS A 104 16.861 -8.052 -24.137 1.00 61.24 N ATOM 1567 CA HIS A 104 16.422 -7.183 -25.223 1.00 42.13 C ATOM 1568 C HIS A 104 16.432 -5.721 -24.787 1.00 33.03 C ATOM 1569 O HIS A 104 15.703 -5.330 -23.874 1.00 60.31 O ATOM 1570 CB HIS A 104 15.021 -7.580 -25.688 1.00 15.44 C ATOM 1571 CG HIS A 104 14.523 -6.773 -26.848 1.00 22.05 C ATOM 1572 ND1 HIS A 104 13.636 -5.752 -26.900 1.00 13.53 N flip ATOM 1573 CD2 HIS A 104 14.941 -6.984 -28.145 1.00 44.23 C flip ATOM 1574 CE1 HIS A 104 13.536 -5.367 -28.215 1.00 74.50 C flip ATOM 1575 NE2 HIS A 104 14.334 -6.125 -28.945 1.00 2.13 N flip ATOM 0 H HIS A 104 16.536 -7.769 -23.212 1.00 61.24 H new ATOM 0 HA HIS A 104 17.118 -7.300 -26.053 1.00 42.13 H new ATOM 0 HB2 HIS A 104 15.024 -8.634 -25.964 1.00 15.44 H new ATOM 0 HB3 HIS A 104 14.326 -7.471 -24.855 1.00 15.44 H new ATOM 0 HD2 HIS A 104 15.653 -7.734 -28.458 1.00 44.23 H new ATOM 0 HE1 HIS A 104 12.907 -4.573 -28.591 1.00 74.50 H new ATOM 0 HE2 HIS A 104 14.460 -6.059 -29.955 1.00 2.13 H new ATOM 1583 N HIS A 105 17.262 -4.917 -25.444 1.00 21.52 N ATOM 1584 CA HIS A 105 17.365 -3.498 -25.124 1.00 62.03 C ATOM 1585 C HIS A 105 16.005 -2.816 -25.237 1.00 2.33 C ATOM 1586 O HIS A 105 15.353 -2.878 -26.279 1.00 63.11 O ATOM 1587 CB HIS A 105 18.369 -2.816 -26.054 1.00 24.01 C ATOM 1588 CG HIS A 105 18.957 -1.562 -25.484 1.00 52.41 C ATOM 1589 ND1 HIS A 105 18.190 -0.504 -25.043 1.00 33.33 N ATOM 1590 CD2 HIS A 105 20.245 -1.199 -25.283 1.00 64.32 C ATOM 1591 CE1 HIS A 105 18.981 0.455 -24.597 1.00 30.14 C ATOM 1592 NE2 HIS A 105 20.234 0.058 -24.731 1.00 35.11 N ATOM 0 H HIS A 105 17.873 -5.224 -26.201 1.00 21.52 H new ATOM 0 HA HIS A 105 17.713 -3.407 -24.095 1.00 62.03 H new ATOM 0 HB2 HIS A 105 19.174 -3.515 -26.281 1.00 24.01 H new ATOM 0 HB3 HIS A 105 17.876 -2.580 -26.997 1.00 24.01 H new ATOM 0 HD2 HIS A 105 21.120 -1.789 -25.514 1.00 64.32 H new ATOM 0 HE1 HIS A 105 18.658 1.403 -24.192 1.00 30.14 H new ATOM 0 HE2 HIS A 105 21.059 0.597 -24.467 1.00 35.11 H new ATOM 1600 N TRP A 106 15.584 -2.166 -24.158 1.00 32.43 N ATOM 1601 CA TRP A 106 14.301 -1.473 -24.136 1.00 11.24 C ATOM 1602 C TRP A 106 14.468 -0.034 -23.659 1.00 60.13 C ATOM 1603 O TRP A 106 14.826 0.211 -22.507 1.00 24.01 O ATOM 1604 CB TRP A 106 13.314 -2.211 -23.230 1.00 70.52 C ATOM 1605 CG TRP A 106 12.029 -1.468 -23.021 1.00 24.34 C ATOM 1606 CD1 TRP A 106 11.420 -1.205 -21.827 1.00 21.20 C ATOM 1607 CD2 TRP A 106 11.196 -0.895 -24.034 1.00 2.43 C ATOM 1608 NE1 TRP A 106 10.258 -0.503 -22.037 1.00 42.51 N ATOM 1609 CE2 TRP A 106 10.099 -0.299 -23.382 1.00 53.52 C ATOM 1610 CE3 TRP A 106 11.271 -0.824 -25.427 1.00 63.43 C ATOM 1611 CZ2 TRP A 106 9.086 0.356 -24.078 1.00 42.42 C ATOM 1612 CZ3 TRP A 106 10.265 -0.174 -26.117 1.00 25.33 C ATOM 1613 CH2 TRP A 106 9.185 0.410 -25.442 1.00 62.20 C ATOM 0 H TRP A 106 16.112 -2.104 -23.287 1.00 32.43 H new ATOM 0 HA TRP A 106 13.908 -1.457 -25.153 1.00 11.24 H new ATOM 0 HB2 TRP A 106 13.095 -3.187 -23.663 1.00 70.52 H new ATOM 0 HB3 TRP A 106 13.784 -2.390 -22.263 1.00 70.52 H new ATOM 0 HD1 TRP A 106 11.797 -1.505 -20.860 1.00 21.20 H new ATOM 0 HE1 TRP A 106 9.618 -0.185 -21.309 1.00 42.51 H new ATOM 0 HE3 TRP A 106 12.101 -1.269 -25.956 1.00 63.43 H new ATOM 0 HZ2 TRP A 106 8.252 0.805 -23.560 1.00 42.42 H new ATOM 0 HZ3 TRP A 106 10.312 -0.115 -27.194 1.00 25.33 H new ATOM 0 HH2 TRP A 106 8.416 0.913 -26.009 1.00 62.20 H new ATOM 1624 N HIS A 107 14.206 0.915 -24.553 1.00 21.24 N ATOM 1625 CA HIS A 107 14.327 2.330 -24.222 1.00 14.31 C ATOM 1626 C HIS A 107 13.069 3.092 -24.628 1.00 15.10 C ATOM 1627 O HIS A 107 12.551 2.913 -25.731 1.00 25.33 O ATOM 1628 CB HIS A 107 15.549 2.935 -24.914 1.00 14.13 C ATOM 1629 CG HIS A 107 15.476 2.886 -26.409 1.00 12.42 C ATOM 1630 ND1 HIS A 107 14.790 3.818 -27.160 1.00 23.03 N ATOM 1631 CD2 HIS A 107 16.009 2.011 -27.293 1.00 42.52 C ATOM 1632 CE1 HIS A 107 14.904 3.517 -28.441 1.00 53.10 C ATOM 1633 NE2 HIS A 107 15.639 2.425 -28.549 1.00 40.31 N ATOM 0 H HIS A 107 13.909 0.730 -25.511 1.00 21.24 H new ATOM 0 HA HIS A 107 14.451 2.416 -23.142 1.00 14.31 H new ATOM 0 HB2 HIS A 107 15.659 3.972 -24.598 1.00 14.13 H new ATOM 0 HB3 HIS A 107 16.443 2.405 -24.584 1.00 14.13 H new ATOM 0 HD2 HIS A 107 16.613 1.148 -27.055 1.00 42.52 H new ATOM 0 HE1 HIS A 107 14.470 4.070 -29.261 1.00 53.10 H new ATOM 0 HE2 HIS A 107 15.891 1.964 -29.423 1.00 40.31 H new ATOM 1641 N ARG A 108 12.581 3.942 -23.730 1.00 22.44 N ATOM 1642 CA ARG A 108 11.383 4.729 -23.994 1.00 0.00 C ATOM 1643 C ARG A 108 11.743 6.177 -24.313 1.00 64.02 C ATOM 1644 O ARG A 108 12.048 6.964 -23.417 1.00 31.54 O ATOM 1645 CB ARG A 108 10.439 4.681 -22.791 1.00 23.51 C ATOM 1646 CG ARG A 108 8.969 4.775 -23.166 1.00 23.43 C ATOM 1647 CD ARG A 108 8.653 6.093 -23.854 1.00 43.04 C ATOM 1648 NE ARG A 108 8.801 6.002 -25.305 1.00 2.35 N ATOM 1649 CZ ARG A 108 8.237 6.853 -26.155 1.00 65.53 C ATOM 1650 NH1 ARG A 108 7.493 7.852 -25.703 1.00 73.13 N ATOM 1651 NH2 ARG A 108 8.419 6.704 -27.461 1.00 52.24 N ATOM 0 H ARG A 108 12.997 4.103 -22.813 1.00 22.44 H new ATOM 0 HA ARG A 108 10.880 4.298 -24.860 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.607 3.753 -22.245 1.00 23.51 H new ATOM 0 HB3 ARG A 108 10.685 5.499 -22.114 1.00 23.51 H new ATOM 0 HG2 ARG A 108 8.707 3.947 -23.825 1.00 23.43 H new ATOM 0 HG3 ARG A 108 8.357 4.675 -22.270 1.00 23.43 H new ATOM 0 HD2 ARG A 108 7.634 6.393 -23.612 1.00 43.04 H new ATOM 0 HD3 ARG A 108 9.314 6.870 -23.470 1.00 43.04 H new ATOM 0 HE ARG A 108 9.368 5.244 -25.686 1.00 2.35 H new ATOM 0 HH11 ARG A 108 7.352 7.969 -24.700 1.00 73.13 H new ATOM 0 HH12 ARG A 108 7.061 8.504 -26.358 1.00 73.13 H new ATOM 0 HH21 ARG A 108 8.992 5.936 -27.812 1.00 52.24 H new ATOM 0 HH22 ARG A 108 7.986 7.357 -28.114 1.00 52.24 H new