USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 554 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 Single : A 22 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.3) USER MOD Single : A 23 SER OG : rot -130:sc= -0.965 USER MOD Single : A 24 MET CE :methyl 177:sc= -0.434 (180deg=-0.479) USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.141) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.04 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -7.87! C(o=-7.9!,f=-14!) USER MOD Single : A 50 THR OG1 : rot -98:sc= 0.904 USER MOD Single : A 54 CYS SG : rot 150:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0179 X(o=-0.018,f=0) USER MOD Single : A 56 MET CE :methyl -157:sc= -0.59 (180deg=-2.4!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.0317 X(o=0.032,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -113:sc= -2.94! (180deg=-4.15!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.64) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -2.51 X(o=-2.5,f=-2.1) USER MOD Single : A 87 ASN : amide:sc= 0.522 K(o=0.52,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= -1.39 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 68:sc= 0.782 USER MOD ----------------------------------------------------------------- ATOM 246 N ASP A 19 1.294 1.077 -11.144 1.00 0.00 N ATOM 247 CA ASP A 19 -0.040 1.321 -10.609 1.00 0.00 C ATOM 248 C ASP A 19 0.036 1.854 -9.181 1.00 0.00 C ATOM 249 O ASP A 19 -0.762 2.701 -8.780 1.00 0.00 O ATOM 250 CB ASP A 19 -0.870 0.037 -10.644 1.00 0.00 C ATOM 251 CG ASP A 19 -1.392 -0.278 -12.032 1.00 0.00 C ATOM 252 OD1 ASP A 19 -1.789 0.668 -12.744 1.00 0.00 O ATOM 253 OD2 ASP A 19 -1.404 -1.469 -12.406 1.00 0.00 O ATOM 0 HA ASP A 19 -0.523 2.073 -11.233 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.261 -0.795 -10.291 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.710 0.132 -9.956 1.00 0.00 H new ATOM 258 N PHE A 20 1.000 1.350 -8.418 1.00 0.00 N ATOM 259 CA PHE A 20 1.179 1.773 -7.034 1.00 0.00 C ATOM 260 C PHE A 20 1.533 3.256 -6.960 1.00 0.00 C ATOM 261 O PHE A 20 0.806 4.048 -6.362 1.00 0.00 O ATOM 262 CB PHE A 20 2.274 0.942 -6.362 1.00 0.00 C ATOM 263 CG PHE A 20 2.451 1.252 -4.903 1.00 0.00 C ATOM 264 CD1 PHE A 20 3.285 2.281 -4.496 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.784 0.514 -3.938 1.00 0.00 C ATOM 266 CE1 PHE A 20 3.450 2.569 -3.154 1.00 0.00 C ATOM 267 CE2 PHE A 20 1.945 0.798 -2.595 1.00 0.00 C ATOM 268 CZ PHE A 20 2.780 1.826 -2.203 1.00 0.00 C ATOM 0 H PHE A 20 1.669 0.648 -8.735 1.00 0.00 H new ATOM 0 HA PHE A 20 0.238 1.615 -6.507 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.037 -0.116 -6.474 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.218 1.114 -6.879 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.812 2.865 -5.236 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.131 -0.292 -4.239 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.102 3.374 -2.850 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.418 0.217 -1.853 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.909 2.048 -1.154 1.00 0.00 H new ATOM 278 N GLU A 21 2.655 3.622 -7.572 1.00 0.00 N ATOM 279 CA GLU A 21 3.105 5.009 -7.574 1.00 0.00 C ATOM 280 C GLU A 21 1.970 5.949 -7.967 1.00 0.00 C ATOM 281 O GLU A 21 1.949 7.114 -7.571 1.00 0.00 O ATOM 282 CB GLU A 21 4.283 5.184 -8.535 1.00 0.00 C ATOM 283 CG GLU A 21 5.640 5.001 -7.875 1.00 0.00 C ATOM 284 CD GLU A 21 6.177 6.288 -7.280 1.00 0.00 C ATOM 285 OE1 GLU A 21 6.053 7.343 -7.938 1.00 0.00 O ATOM 286 OE2 GLU A 21 6.721 6.241 -6.157 1.00 0.00 O ATOM 0 H GLU A 21 3.268 2.978 -8.072 1.00 0.00 H new ATOM 0 HA GLU A 21 3.428 5.261 -6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.185 4.467 -9.350 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.235 6.179 -8.978 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.560 4.248 -7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.349 4.621 -8.610 1.00 0.00 H new ATOM 293 N ASN A 22 1.027 5.434 -8.749 1.00 0.00 N ATOM 294 CA ASN A 22 -0.112 6.228 -9.197 1.00 0.00 C ATOM 295 C ASN A 22 -1.145 6.375 -8.084 1.00 0.00 C ATOM 296 O ASN A 22 -1.624 7.474 -7.809 1.00 0.00 O ATOM 297 CB ASN A 22 -0.758 5.583 -10.425 1.00 0.00 C ATOM 298 CG ASN A 22 0.082 5.753 -11.677 1.00 0.00 C ATOM 299 OD1 ASN A 22 0.567 6.846 -11.968 1.00 0.00 O ATOM 300 ND2 ASN A 22 0.256 4.669 -12.424 1.00 0.00 N ATOM 0 H ASN A 22 1.029 4.471 -9.086 1.00 0.00 H new ATOM 0 HA ASN A 22 0.252 7.220 -9.464 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.912 4.521 -10.235 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.742 6.023 -10.588 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.811 4.722 -13.278 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.165 3.783 -12.144 1.00 0.00 H new ATOM 307 N SER A 23 -1.482 5.258 -7.446 1.00 0.00 N ATOM 308 CA SER A 23 -2.460 5.262 -6.365 1.00 0.00 C ATOM 309 C SER A 23 -2.007 6.169 -5.225 1.00 0.00 C ATOM 310 O SER A 23 -2.711 7.102 -4.842 1.00 0.00 O ATOM 311 CB SER A 23 -2.680 3.840 -5.843 1.00 0.00 C ATOM 312 OG SER A 23 -3.454 3.077 -6.753 1.00 0.00 O ATOM 0 H SER A 23 -1.092 4.340 -7.659 1.00 0.00 H new ATOM 0 HA SER A 23 -3.400 5.647 -6.761 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.717 3.355 -5.684 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.182 3.878 -4.876 1.00 0.00 H new ATOM 0 HG SER A 23 -4.190 2.643 -6.273 1.00 0.00 H new ATOM 318 N MET A 24 -0.825 5.887 -4.687 1.00 0.00 N ATOM 319 CA MET A 24 -0.275 6.677 -3.591 1.00 0.00 C ATOM 320 C MET A 24 -0.356 8.168 -3.904 1.00 0.00 C ATOM 321 O MET A 24 -0.595 8.986 -3.016 1.00 0.00 O ATOM 322 CB MET A 24 1.177 6.278 -3.324 1.00 0.00 C ATOM 323 CG MET A 24 2.054 6.308 -4.565 1.00 0.00 C ATOM 324 SD MET A 24 3.774 6.699 -4.192 1.00 0.00 S ATOM 325 CE MET A 24 4.081 8.024 -5.358 1.00 0.00 C ATOM 0 H MET A 24 -0.229 5.117 -4.992 1.00 0.00 H new ATOM 0 HA MET A 24 -0.868 6.477 -2.698 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.598 6.949 -2.576 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.197 5.274 -2.899 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.006 5.339 -5.063 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.661 7.046 -5.265 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.090 8.409 -5.213 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.980 7.645 -6.375 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.360 8.825 -5.196 1.00 0.00 H new ATOM 335 N ASN A 25 -0.155 8.515 -5.171 1.00 0.00 N ATOM 336 CA ASN A 25 -0.204 9.908 -5.600 1.00 0.00 C ATOM 337 C ASN A 25 -1.604 10.485 -5.414 1.00 0.00 C ATOM 338 O ASN A 25 -1.767 11.578 -4.872 1.00 0.00 O ATOM 339 CB ASN A 25 0.219 10.028 -7.065 1.00 0.00 C ATOM 340 CG ASN A 25 0.377 11.470 -7.506 1.00 0.00 C ATOM 341 OD1 ASN A 25 0.514 12.372 -6.679 1.00 0.00 O ATOM 342 ND2 ASN A 25 0.357 11.695 -8.814 1.00 0.00 N ATOM 0 H ASN A 25 0.043 7.850 -5.919 1.00 0.00 H new ATOM 0 HA ASN A 25 0.490 10.477 -4.981 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.162 9.501 -7.212 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.523 9.537 -7.696 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.458 12.646 -9.170 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.241 10.917 -9.464 1.00 0.00 H new ATOM 349 N GLN A 26 -2.609 9.743 -5.866 1.00 0.00 N ATOM 350 CA GLN A 26 -3.995 10.181 -5.749 1.00 0.00 C ATOM 351 C GLN A 26 -4.319 10.585 -4.315 1.00 0.00 C ATOM 352 O GLN A 26 -4.997 11.584 -4.078 1.00 0.00 O ATOM 353 CB GLN A 26 -4.943 9.072 -6.206 1.00 0.00 C ATOM 354 CG GLN A 26 -4.809 8.726 -7.681 1.00 0.00 C ATOM 355 CD GLN A 26 -5.875 7.757 -8.152 1.00 0.00 C ATOM 356 OE1 GLN A 26 -5.841 6.571 -7.826 1.00 0.00 O ATOM 357 NE2 GLN A 26 -6.831 8.260 -8.925 1.00 0.00 N ATOM 0 H GLN A 26 -2.490 8.836 -6.317 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.130 11.051 -6.391 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.755 8.177 -5.613 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.970 9.377 -6.005 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.868 9.640 -8.272 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.825 8.293 -7.861 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.820 9.250 -9.171 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.576 7.656 -9.273 1.00 0.00 H new ATOM 366 N VAL A 27 -3.830 9.800 -3.360 1.00 0.00 N ATOM 367 CA VAL A 27 -4.067 10.076 -1.948 1.00 0.00 C ATOM 368 C VAL A 27 -3.473 11.420 -1.543 1.00 0.00 C ATOM 369 O VAL A 27 -3.933 12.054 -0.592 1.00 0.00 O ATOM 370 CB VAL A 27 -3.470 8.973 -1.053 1.00 0.00 C ATOM 371 CG1 VAL A 27 -3.635 9.331 0.417 1.00 0.00 C ATOM 372 CG2 VAL A 27 -4.118 7.631 -1.359 1.00 0.00 C ATOM 0 H VAL A 27 -3.267 8.968 -3.539 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.148 10.103 -1.808 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.404 8.893 -1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.208 8.541 1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.121 10.270 0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.695 9.439 0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.685 6.863 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.190 7.694 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.944 7.373 -2.403 1.00 0.00 H new ATOM 382 N LYS A 28 -2.449 11.852 -2.271 1.00 0.00 N ATOM 383 CA LYS A 28 -1.792 13.123 -1.991 1.00 0.00 C ATOM 384 C LYS A 28 -2.456 14.260 -2.760 1.00 0.00 C ATOM 385 O LYS A 28 -2.290 15.433 -2.420 1.00 0.00 O ATOM 386 CB LYS A 28 -0.308 13.044 -2.356 1.00 0.00 C ATOM 387 CG LYS A 28 0.461 12.007 -1.557 1.00 0.00 C ATOM 388 CD LYS A 28 1.662 11.486 -2.329 1.00 0.00 C ATOM 389 CE LYS A 28 2.859 12.414 -2.191 1.00 0.00 C ATOM 390 NZ LYS A 28 4.143 11.704 -2.443 1.00 0.00 N ATOM 0 H LYS A 28 -2.056 11.340 -3.060 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.887 13.326 -0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.215 12.814 -3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.148 14.022 -2.200 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.794 12.445 -0.616 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.199 11.177 -1.306 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.926 10.493 -1.966 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.401 11.381 -3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.759 13.243 -2.892 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.872 12.843 -1.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.934 12.371 -2.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.251 10.929 -1.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.141 11.316 -3.408 1.00 0.00 H new ATOM 519 N ASN A 36 -7.158 10.002 10.194 1.00 0.00 N ATOM 520 CA ASN A 36 -5.956 9.296 10.623 1.00 0.00 C ATOM 521 C ASN A 36 -6.138 7.786 10.497 1.00 0.00 C ATOM 522 O ASN A 36 -5.164 7.033 10.482 1.00 0.00 O ATOM 523 CB ASN A 36 -5.614 9.660 12.069 1.00 0.00 C ATOM 524 CG ASN A 36 -4.875 10.980 12.173 1.00 0.00 C ATOM 525 OD1 ASN A 36 -5.449 12.045 11.947 1.00 0.00 O ATOM 526 ND2 ASN A 36 -3.593 10.915 12.516 1.00 0.00 N ATOM 0 HA ASN A 36 -5.135 9.601 9.974 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.532 9.713 12.654 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.003 8.869 12.505 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.044 11.770 12.601 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.158 10.010 12.694 1.00 0.00 H new ATOM 533 N GLU A 37 -7.391 7.352 10.406 1.00 0.00 N ATOM 534 CA GLU A 37 -7.699 5.932 10.281 1.00 0.00 C ATOM 535 C GLU A 37 -7.136 5.365 8.981 1.00 0.00 C ATOM 536 O GLU A 37 -6.535 4.291 8.968 1.00 0.00 O ATOM 537 CB GLU A 37 -9.212 5.710 10.334 1.00 0.00 C ATOM 538 CG GLU A 37 -9.621 4.257 10.156 1.00 0.00 C ATOM 539 CD GLU A 37 -9.483 3.452 11.433 1.00 0.00 C ATOM 540 OE1 GLU A 37 -9.602 4.045 12.525 1.00 0.00 O ATOM 541 OE2 GLU A 37 -9.257 2.227 11.340 1.00 0.00 O ATOM 0 H GLU A 37 -8.208 7.962 10.416 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.232 5.410 11.116 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.590 6.071 11.291 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.686 6.310 9.557 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.655 4.214 9.814 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.008 3.804 9.377 1.00 0.00 H new ATOM 548 N VAL A 38 -7.336 6.095 7.888 1.00 0.00 N ATOM 549 CA VAL A 38 -6.849 5.667 6.582 1.00 0.00 C ATOM 550 C VAL A 38 -5.372 6.002 6.410 1.00 0.00 C ATOM 551 O VAL A 38 -4.606 5.215 5.853 1.00 0.00 O ATOM 552 CB VAL A 38 -7.649 6.323 5.441 1.00 0.00 C ATOM 553 CG1 VAL A 38 -7.841 7.808 5.709 1.00 0.00 C ATOM 554 CG2 VAL A 38 -6.955 6.099 4.107 1.00 0.00 C ATOM 0 H VAL A 38 -7.832 6.986 7.881 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.982 4.586 6.534 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.633 5.856 5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.408 8.255 4.892 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.385 7.942 6.644 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.868 8.293 5.783 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.534 6.569 3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.958 6.538 4.138 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.875 5.029 3.914 1.00 0.00 H new ATOM 564 N LYS A 39 -4.977 7.175 6.892 1.00 0.00 N ATOM 565 CA LYS A 39 -3.590 7.615 6.795 1.00 0.00 C ATOM 566 C LYS A 39 -2.640 6.542 7.317 1.00 0.00 C ATOM 567 O LYS A 39 -1.459 6.521 6.968 1.00 0.00 O ATOM 568 CB LYS A 39 -3.390 8.914 7.578 1.00 0.00 C ATOM 569 CG LYS A 39 -3.636 10.166 6.754 1.00 0.00 C ATOM 570 CD LYS A 39 -5.087 10.610 6.834 1.00 0.00 C ATOM 571 CE LYS A 39 -5.230 12.099 6.558 1.00 0.00 C ATOM 572 NZ LYS A 39 -4.570 12.492 5.282 1.00 0.00 N ATOM 0 H LYS A 39 -5.598 7.839 7.354 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.364 7.793 5.744 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.061 8.917 8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.372 8.940 7.968 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.989 10.969 7.108 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.369 9.977 5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.681 10.047 6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.484 10.382 7.823 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.287 12.361 6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.794 12.665 7.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.857 13.458 5.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.537 12.458 5.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.854 11.835 4.528 1.00 0.00 H new ATOM 586 N LEU A 40 -3.163 5.653 8.153 1.00 0.00 N ATOM 587 CA LEU A 40 -2.361 4.575 8.723 1.00 0.00 C ATOM 588 C LEU A 40 -2.407 3.335 7.836 1.00 0.00 C ATOM 589 O LEU A 40 -1.381 2.706 7.575 1.00 0.00 O ATOM 590 CB LEU A 40 -2.860 4.229 10.127 1.00 0.00 C ATOM 591 CG LEU A 40 -2.611 5.284 11.206 1.00 0.00 C ATOM 592 CD1 LEU A 40 -3.579 5.101 12.364 1.00 0.00 C ATOM 593 CD2 LEU A 40 -1.172 5.217 11.696 1.00 0.00 C ATOM 0 H LEU A 40 -4.138 5.656 8.452 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.328 4.918 8.785 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.932 4.039 10.073 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.386 3.299 10.440 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.780 6.269 10.770 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.387 5.860 13.122 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.602 5.200 12.002 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.443 4.111 12.799 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.013 5.975 12.463 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.976 4.230 12.115 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.495 5.398 10.861 1.00 0.00 H new ATOM 605 N LYS A 41 -3.603 2.989 7.372 1.00 0.00 N ATOM 606 CA LYS A 41 -3.784 1.827 6.510 1.00 0.00 C ATOM 607 C LYS A 41 -2.951 1.958 5.239 1.00 0.00 C ATOM 608 O LYS A 41 -2.473 0.963 4.692 1.00 0.00 O ATOM 609 CB LYS A 41 -5.261 1.658 6.150 1.00 0.00 C ATOM 610 CG LYS A 41 -5.658 2.360 4.863 1.00 0.00 C ATOM 611 CD LYS A 41 -7.168 2.429 4.708 1.00 0.00 C ATOM 612 CE LYS A 41 -7.757 1.067 4.376 1.00 0.00 C ATOM 613 NZ LYS A 41 -9.195 0.977 4.751 1.00 0.00 N ATOM 0 H LYS A 41 -4.463 3.498 7.579 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.447 0.945 7.055 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.484 0.595 6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.872 2.043 6.967 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.244 3.368 4.855 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.228 1.832 4.012 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.613 2.804 5.630 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.422 3.138 3.920 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.648 0.875 3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.196 0.292 4.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.559 0.033 4.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.298 1.135 5.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.735 1.700 4.233 1.00 0.00 H new ATOM 627 N LEU A 42 -2.781 3.190 4.773 1.00 0.00 N ATOM 628 CA LEU A 42 -2.004 3.451 3.566 1.00 0.00 C ATOM 629 C LEU A 42 -0.509 3.321 3.842 1.00 0.00 C ATOM 630 O LEU A 42 0.277 3.041 2.936 1.00 0.00 O ATOM 631 CB LEU A 42 -2.315 4.849 3.028 1.00 0.00 C ATOM 632 CG LEU A 42 -3.466 4.942 2.026 1.00 0.00 C ATOM 633 CD1 LEU A 42 -3.194 4.060 0.817 1.00 0.00 C ATOM 634 CD2 LEU A 42 -4.781 4.552 2.687 1.00 0.00 C ATOM 0 H LEU A 42 -3.171 4.024 5.212 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.282 2.710 2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.542 5.499 3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.415 5.243 2.555 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.544 5.975 1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.024 4.139 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.274 4.384 0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.089 3.024 1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.589 4.624 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.714 3.528 3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.983 5.224 3.521 1.00 0.00 H new ATOM 646 N TYR A 43 -0.125 3.522 5.097 1.00 0.00 N ATOM 647 CA TYR A 43 1.276 3.428 5.492 1.00 0.00 C ATOM 648 C TYR A 43 1.650 1.988 5.831 1.00 0.00 C ATOM 649 O TYR A 43 2.790 1.568 5.633 1.00 0.00 O ATOM 650 CB TYR A 43 1.551 4.334 6.692 1.00 0.00 C ATOM 651 CG TYR A 43 2.613 3.798 7.625 1.00 0.00 C ATOM 652 CD1 TYR A 43 3.956 4.094 7.425 1.00 0.00 C ATOM 653 CD2 TYR A 43 2.274 2.994 8.706 1.00 0.00 C ATOM 654 CE1 TYR A 43 4.930 3.606 8.274 1.00 0.00 C ATOM 655 CE2 TYR A 43 3.241 2.502 9.562 1.00 0.00 C ATOM 656 CZ TYR A 43 4.568 2.810 9.341 1.00 0.00 C ATOM 657 OH TYR A 43 5.534 2.321 10.190 1.00 0.00 O ATOM 0 H TYR A 43 -0.764 3.751 5.859 1.00 0.00 H new ATOM 0 HA TYR A 43 1.887 3.755 4.651 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.858 5.316 6.332 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.626 4.474 7.251 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.243 4.717 6.591 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.237 2.749 8.880 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.969 3.846 8.104 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.960 1.880 10.399 1.00 0.00 H new ATOM 0 HH TYR A 43 5.111 1.780 10.889 1.00 0.00 H new ATOM 667 N ALA A 44 0.681 1.237 6.343 1.00 0.00 N ATOM 668 CA ALA A 44 0.906 -0.156 6.707 1.00 0.00 C ATOM 669 C ALA A 44 1.377 -0.969 5.506 1.00 0.00 C ATOM 670 O ALA A 44 2.334 -1.739 5.601 1.00 0.00 O ATOM 671 CB ALA A 44 -0.363 -0.761 7.291 1.00 0.00 C ATOM 0 H ALA A 44 -0.268 1.570 6.515 1.00 0.00 H new ATOM 0 HA ALA A 44 1.691 -0.185 7.463 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.180 -1.802 7.558 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.656 -0.204 8.181 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.163 -0.711 6.552 1.00 0.00 H new ATOM 677 N LEU A 45 0.700 -0.794 4.377 1.00 0.00 N ATOM 678 CA LEU A 45 1.049 -1.512 3.156 1.00 0.00 C ATOM 679 C LEU A 45 2.361 -0.994 2.576 1.00 0.00 C ATOM 680 O LEU A 45 3.223 -1.774 2.171 1.00 0.00 O ATOM 681 CB LEU A 45 -0.069 -1.373 2.122 1.00 0.00 C ATOM 682 CG LEU A 45 -1.305 -2.245 2.348 1.00 0.00 C ATOM 683 CD1 LEU A 45 -0.898 -3.657 2.739 1.00 0.00 C ATOM 684 CD2 LEU A 45 -2.202 -1.632 3.413 1.00 0.00 C ATOM 0 H LEU A 45 -0.094 -0.161 4.281 1.00 0.00 H new ATOM 0 HA LEU A 45 1.175 -2.565 3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.385 -0.330 2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.341 -1.607 1.139 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.866 -2.296 1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.791 -4.263 2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.297 -4.096 1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.315 -3.626 3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.077 -2.266 3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.651 -1.550 4.350 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.522 -0.641 3.092 1.00 0.00 H new ATOM 696 N TYR A 46 2.506 0.326 2.542 1.00 0.00 N ATOM 697 CA TYR A 46 3.714 0.948 2.012 1.00 0.00 C ATOM 698 C TYR A 46 4.964 0.286 2.583 1.00 0.00 C ATOM 699 O TYR A 46 5.826 -0.184 1.840 1.00 0.00 O ATOM 700 CB TYR A 46 3.724 2.444 2.332 1.00 0.00 C ATOM 701 CG TYR A 46 5.052 3.113 2.058 1.00 0.00 C ATOM 702 CD1 TYR A 46 5.409 3.491 0.769 1.00 0.00 C ATOM 703 CD2 TYR A 46 5.951 3.365 3.087 1.00 0.00 C ATOM 704 CE1 TYR A 46 6.621 4.102 0.513 1.00 0.00 C ATOM 705 CE2 TYR A 46 7.165 3.977 2.841 1.00 0.00 C ATOM 706 CZ TYR A 46 7.496 4.343 1.553 1.00 0.00 C ATOM 707 OH TYR A 46 8.705 4.951 1.303 1.00 0.00 O ATOM 0 H TYR A 46 1.803 0.986 2.875 1.00 0.00 H new ATOM 0 HA TYR A 46 3.717 0.814 0.930 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.950 2.938 1.745 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.466 2.584 3.382 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.727 3.304 -0.047 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.696 3.078 4.096 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.882 4.389 -0.495 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.851 4.168 3.653 1.00 0.00 H new ATOM 0 HH TYR A 46 9.202 5.049 2.142 1.00 0.00 H new ATOM 717 N LYS A 47 5.055 0.253 3.908 1.00 0.00 N ATOM 718 CA LYS A 47 6.197 -0.353 4.581 1.00 0.00 C ATOM 719 C LYS A 47 6.225 -1.861 4.357 1.00 0.00 C ATOM 720 O LYS A 47 7.230 -2.519 4.622 1.00 0.00 O ATOM 721 CB LYS A 47 6.150 -0.051 6.081 1.00 0.00 C ATOM 722 CG LYS A 47 6.017 1.429 6.399 1.00 0.00 C ATOM 723 CD LYS A 47 7.357 2.140 6.316 1.00 0.00 C ATOM 724 CE LYS A 47 8.079 2.128 7.656 1.00 0.00 C ATOM 725 NZ LYS A 47 8.990 3.296 7.805 1.00 0.00 N ATOM 0 H LYS A 47 4.351 0.639 4.537 1.00 0.00 H new ATOM 0 HA LYS A 47 7.105 0.076 4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.311 -0.586 6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.056 -0.435 6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.316 1.890 5.703 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.601 1.551 7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.979 1.658 5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.204 3.170 5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.347 2.133 8.463 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.652 1.206 7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.463 3.252 8.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.705 3.277 7.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.440 4.176 7.739 1.00 0.00 H new ATOM 739 N GLN A 48 5.114 -2.402 3.866 1.00 0.00 N ATOM 740 CA GLN A 48 5.013 -3.833 3.605 1.00 0.00 C ATOM 741 C GLN A 48 5.470 -4.162 2.188 1.00 0.00 C ATOM 742 O GLN A 48 6.000 -5.243 1.932 1.00 0.00 O ATOM 743 CB GLN A 48 3.574 -4.310 3.813 1.00 0.00 C ATOM 744 CG GLN A 48 3.455 -5.811 4.023 1.00 0.00 C ATOM 745 CD GLN A 48 3.609 -6.210 5.478 1.00 0.00 C ATOM 746 OE1 GLN A 48 3.527 -5.371 6.376 1.00 0.00 O ATOM 747 NE2 GLN A 48 3.832 -7.497 5.718 1.00 0.00 N ATOM 0 H GLN A 48 4.272 -1.871 3.641 1.00 0.00 H new ATOM 0 HA GLN A 48 5.666 -4.352 4.307 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.151 -3.796 4.676 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.977 -4.024 2.947 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.485 -6.150 3.658 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.214 -6.319 3.428 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.892 -8.157 4.943 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.943 -7.825 6.677 1.00 0.00 H new ATOM 756 N ALA A 49 5.261 -3.223 1.271 1.00 0.00 N ATOM 757 CA ALA A 49 5.654 -3.413 -0.120 1.00 0.00 C ATOM 758 C ALA A 49 7.017 -2.788 -0.396 1.00 0.00 C ATOM 759 O ALA A 49 7.446 -2.690 -1.546 1.00 0.00 O ATOM 760 CB ALA A 49 4.603 -2.825 -1.050 1.00 0.00 C ATOM 0 H ALA A 49 4.822 -2.323 1.466 1.00 0.00 H new ATOM 0 HA ALA A 49 5.731 -4.484 -0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.909 -2.974 -2.085 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.648 -3.321 -0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.498 -1.758 -0.852 1.00 0.00 H new ATOM 766 N THR A 50 7.695 -2.364 0.666 1.00 0.00 N ATOM 767 CA THR A 50 9.008 -1.746 0.538 1.00 0.00 C ATOM 768 C THR A 50 10.023 -2.414 1.459 1.00 0.00 C ATOM 769 O THR A 50 11.173 -2.627 1.079 1.00 0.00 O ATOM 770 CB THR A 50 8.955 -0.240 0.860 1.00 0.00 C ATOM 771 OG1 THR A 50 8.367 -0.035 2.149 1.00 0.00 O ATOM 772 CG2 THR A 50 8.153 0.509 -0.194 1.00 0.00 C ATOM 0 H THR A 50 7.356 -2.438 1.625 1.00 0.00 H new ATOM 0 HA THR A 50 9.319 -1.878 -0.498 1.00 0.00 H new ATOM 0 HB THR A 50 9.974 0.146 0.861 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.418 0.187 2.044 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.129 1.570 0.053 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.620 0.374 -1.170 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.135 0.120 -0.222 1.00 0.00 H new ATOM 780 N GLU A 51 9.587 -2.744 2.672 1.00 0.00 N ATOM 781 CA GLU A 51 10.460 -3.389 3.646 1.00 0.00 C ATOM 782 C GLU A 51 10.020 -4.828 3.902 1.00 0.00 C ATOM 783 O GLU A 51 10.848 -5.726 4.039 1.00 0.00 O ATOM 784 CB GLU A 51 10.462 -2.604 4.960 1.00 0.00 C ATOM 785 CG GLU A 51 10.681 -1.111 4.776 1.00 0.00 C ATOM 786 CD GLU A 51 10.895 -0.387 6.091 1.00 0.00 C ATOM 787 OE1 GLU A 51 9.953 -0.357 6.911 1.00 0.00 O ATOM 788 OE2 GLU A 51 12.002 0.150 6.300 1.00 0.00 O ATOM 0 H GLU A 51 8.637 -2.576 3.002 1.00 0.00 H new ATOM 0 HA GLU A 51 11.470 -3.403 3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.512 -2.763 5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.243 -3.000 5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.546 -0.951 4.132 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.819 -0.681 4.265 1.00 0.00 H new ATOM 795 N GLY A 52 8.708 -5.037 3.965 1.00 0.00 N ATOM 796 CA GLY A 52 8.180 -6.367 4.205 1.00 0.00 C ATOM 797 C GLY A 52 7.379 -6.450 5.489 1.00 0.00 C ATOM 798 O GLY A 52 6.675 -5.514 5.869 1.00 0.00 O ATOM 0 H GLY A 52 8.002 -4.309 3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.548 -6.660 3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.004 -7.079 4.248 1.00 0.00 H new ATOM 802 N PRO A 53 7.479 -7.595 6.181 1.00 0.00 N ATOM 803 CA PRO A 53 6.764 -7.825 7.439 1.00 0.00 C ATOM 804 C PRO A 53 7.310 -6.973 8.580 1.00 0.00 C ATOM 805 O PRO A 53 8.523 -6.810 8.720 1.00 0.00 O ATOM 806 CB PRO A 53 7.005 -9.310 7.718 1.00 0.00 C ATOM 807 CG PRO A 53 8.277 -9.627 7.011 1.00 0.00 C ATOM 808 CD PRO A 53 8.299 -8.753 5.787 1.00 0.00 C ATOM 0 HA PRO A 53 5.710 -7.557 7.364 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.088 -9.503 8.787 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.183 -9.921 7.346 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.138 -9.427 7.649 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.320 -10.682 6.738 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.314 -8.456 5.523 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.881 -9.265 4.920 1.00 0.00 H new ATOM 816 N CYS A 54 6.409 -6.434 9.394 1.00 0.00 N ATOM 817 CA CYS A 54 6.802 -5.598 10.523 1.00 0.00 C ATOM 818 C CYS A 54 7.888 -6.277 11.350 1.00 0.00 C ATOM 819 O CYS A 54 7.619 -7.223 12.090 1.00 0.00 O ATOM 820 CB CYS A 54 5.590 -5.293 11.404 1.00 0.00 C ATOM 821 SG CYS A 54 6.005 -4.557 13.002 1.00 0.00 S ATOM 0 H CYS A 54 5.402 -6.561 9.293 1.00 0.00 H new ATOM 0 HA CYS A 54 7.201 -4.663 10.130 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.925 -4.617 10.867 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.037 -6.216 11.574 1.00 0.00 H new ATOM 0 HG CYS A 54 5.036 -3.781 13.387 1.00 0.00 H new ATOM 827 N ASN A 55 9.118 -5.790 11.218 1.00 0.00 N ATOM 828 CA ASN A 55 10.246 -6.352 11.951 1.00 0.00 C ATOM 829 C ASN A 55 10.888 -5.300 12.851 1.00 0.00 C ATOM 830 O ASN A 55 12.031 -5.449 13.280 1.00 0.00 O ATOM 831 CB ASN A 55 11.287 -6.910 10.978 1.00 0.00 C ATOM 832 CG ASN A 55 11.993 -5.818 10.198 1.00 0.00 C ATOM 833 OD1 ASN A 55 13.129 -5.455 10.507 1.00 0.00 O ATOM 834 ND2 ASN A 55 11.322 -5.288 9.182 1.00 0.00 N ATOM 0 H ASN A 55 9.358 -5.007 10.610 1.00 0.00 H new ATOM 0 HA ASN A 55 9.873 -7.162 12.577 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.024 -7.491 11.532 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.800 -7.593 10.282 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.746 -4.549 8.621 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.383 -5.620 8.962 1.00 0.00 H new ATOM 841 N MET A 56 10.142 -4.237 13.134 1.00 0.00 N ATOM 842 CA MET A 56 10.637 -3.161 13.985 1.00 0.00 C ATOM 843 C MET A 56 10.217 -3.378 15.435 1.00 0.00 C ATOM 844 O MET A 56 9.216 -4.033 15.725 1.00 0.00 O ATOM 845 CB MET A 56 10.120 -1.810 13.488 1.00 0.00 C ATOM 846 CG MET A 56 8.655 -1.832 13.081 1.00 0.00 C ATOM 847 SD MET A 56 8.009 -0.188 12.721 1.00 0.00 S ATOM 848 CE MET A 56 8.644 0.739 14.116 1.00 0.00 C ATOM 0 H MET A 56 9.193 -4.098 12.787 1.00 0.00 H new ATOM 0 HA MET A 56 11.726 -3.165 13.937 1.00 0.00 H new ATOM 0 HB2 MET A 56 10.260 -1.066 14.272 1.00 0.00 H new ATOM 0 HB3 MET A 56 10.721 -1.492 12.636 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.536 -2.465 12.202 1.00 0.00 H new ATOM 0 HG3 MET A 56 8.067 -2.282 13.881 1.00 0.00 H new ATOM 0 HE1 MET A 56 8.030 1.626 14.273 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.616 0.116 15.010 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.672 1.040 13.915 1.00 0.00 H new ATOM 858 N PRO A 57 10.999 -2.815 16.369 1.00 0.00 N ATOM 859 CA PRO A 57 10.727 -2.934 17.805 1.00 0.00 C ATOM 860 C PRO A 57 9.490 -2.148 18.227 1.00 0.00 C ATOM 861 O PRO A 57 9.330 -0.981 17.869 1.00 0.00 O ATOM 862 CB PRO A 57 11.982 -2.344 18.453 1.00 0.00 C ATOM 863 CG PRO A 57 12.534 -1.411 17.431 1.00 0.00 C ATOM 864 CD PRO A 57 12.208 -2.021 16.095 1.00 0.00 C ATOM 0 HA PRO A 57 10.523 -3.964 18.098 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.741 -1.820 19.378 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.700 -3.124 18.706 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.090 -0.420 17.527 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.610 -1.291 17.553 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.025 -1.258 15.339 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.023 -2.644 15.728 1.00 0.00 H new ATOM 872 N LYS A 58 8.616 -2.795 18.991 1.00 0.00 N ATOM 873 CA LYS A 58 7.394 -2.158 19.465 1.00 0.00 C ATOM 874 C LYS A 58 7.712 -0.907 20.279 1.00 0.00 C ATOM 875 O LYS A 58 8.415 -0.957 21.288 1.00 0.00 O ATOM 876 CB LYS A 58 6.578 -3.137 20.312 1.00 0.00 C ATOM 877 CG LYS A 58 5.127 -2.725 20.491 1.00 0.00 C ATOM 878 CD LYS A 58 4.261 -3.901 20.910 1.00 0.00 C ATOM 879 CE LYS A 58 2.801 -3.498 21.044 1.00 0.00 C ATOM 880 NZ LYS A 58 2.059 -4.399 21.969 1.00 0.00 N ATOM 0 H LYS A 58 8.732 -3.762 19.295 1.00 0.00 H new ATOM 0 HA LYS A 58 6.807 -1.864 18.595 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.612 -4.122 19.847 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.044 -3.231 21.293 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.061 -1.938 21.242 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.749 -2.308 19.558 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.353 -4.701 20.176 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.619 -4.297 21.860 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.739 -2.473 21.409 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.328 -3.516 20.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.068 -4.091 22.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.096 -5.374 21.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.495 -4.363 22.913 1.00 0.00 H new ATOM 894 N PRO A 59 7.182 0.241 19.832 1.00 0.00 N ATOM 895 CA PRO A 59 7.395 1.526 20.506 1.00 0.00 C ATOM 896 C PRO A 59 6.676 1.602 21.849 1.00 0.00 C ATOM 897 O PRO A 59 5.847 0.751 22.169 1.00 0.00 O ATOM 898 CB PRO A 59 6.806 2.543 19.526 1.00 0.00 C ATOM 899 CG PRO A 59 5.796 1.774 18.744 1.00 0.00 C ATOM 900 CD PRO A 59 6.335 0.374 18.636 1.00 0.00 C ATOM 0 HA PRO A 59 8.447 1.696 20.736 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.346 3.380 20.052 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.576 2.959 18.877 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.827 1.782 19.243 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.649 2.213 17.757 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.534 -0.365 18.627 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.909 0.234 17.720 1.00 0.00 H new ATOM 908 N GLY A 60 7.000 2.627 22.631 1.00 0.00 N ATOM 909 CA GLY A 60 6.375 2.795 23.930 1.00 0.00 C ATOM 910 C GLY A 60 4.994 3.414 23.834 1.00 0.00 C ATOM 911 O GLY A 60 4.672 4.080 22.850 1.00 0.00 O ATOM 0 H GLY A 60 7.684 3.344 22.388 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.302 1.825 24.422 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.009 3.423 24.556 1.00 0.00 H new ATOM 915 N VAL A 61 4.176 3.193 24.857 1.00 0.00 N ATOM 916 CA VAL A 61 2.822 3.733 24.884 1.00 0.00 C ATOM 917 C VAL A 61 2.827 5.240 24.659 1.00 0.00 C ATOM 918 O VAL A 61 2.123 5.752 23.788 1.00 0.00 O ATOM 919 CB VAL A 61 2.121 3.426 26.221 1.00 0.00 C ATOM 920 CG1 VAL A 61 1.783 1.947 26.320 1.00 0.00 C ATOM 921 CG2 VAL A 61 2.992 3.862 27.390 1.00 0.00 C ATOM 0 H VAL A 61 4.427 2.643 25.679 1.00 0.00 H new ATOM 0 HA VAL A 61 2.273 3.250 24.076 1.00 0.00 H new ATOM 0 HB VAL A 61 1.189 3.990 26.261 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.288 1.750 27.271 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.119 1.670 25.501 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.699 1.360 26.259 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.482 3.638 28.327 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.941 3.327 27.356 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.178 4.934 27.325 1.00 0.00 H new ATOM 931 N PHE A 62 3.626 5.948 25.451 1.00 0.00 N ATOM 932 CA PHE A 62 3.723 7.399 25.339 1.00 0.00 C ATOM 933 C PHE A 62 3.985 7.817 23.896 1.00 0.00 C ATOM 934 O PHE A 62 3.728 8.958 23.512 1.00 0.00 O ATOM 935 CB PHE A 62 4.836 7.928 26.246 1.00 0.00 C ATOM 936 CG PHE A 62 4.431 8.046 27.687 1.00 0.00 C ATOM 937 CD1 PHE A 62 4.500 6.950 28.532 1.00 0.00 C ATOM 938 CD2 PHE A 62 3.980 9.253 28.197 1.00 0.00 C ATOM 939 CE1 PHE A 62 4.128 7.055 29.859 1.00 0.00 C ATOM 940 CE2 PHE A 62 3.607 9.364 29.523 1.00 0.00 C ATOM 941 CZ PHE A 62 3.680 8.263 30.355 1.00 0.00 C ATOM 0 H PHE A 62 4.215 5.541 26.177 1.00 0.00 H new ATOM 0 HA PHE A 62 2.772 7.827 25.655 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.699 7.266 26.173 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.153 8.906 25.885 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.849 6.002 28.149 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.919 10.116 27.551 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.188 6.193 30.507 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.259 10.311 29.909 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.387 8.347 31.391 1.00 0.00 H new ATOM 951 N ASP A 63 4.499 6.885 23.101 1.00 0.00 N ATOM 952 CA ASP A 63 4.797 7.156 21.699 1.00 0.00 C ATOM 953 C ASP A 63 3.601 6.816 20.814 1.00 0.00 C ATOM 954 O ASP A 63 3.755 6.238 19.738 1.00 0.00 O ATOM 955 CB ASP A 63 6.021 6.355 21.251 1.00 0.00 C ATOM 956 CG ASP A 63 6.769 7.027 20.117 1.00 0.00 C ATOM 957 OD1 ASP A 63 6.155 7.852 19.408 1.00 0.00 O ATOM 958 OD2 ASP A 63 7.968 6.727 19.936 1.00 0.00 O ATOM 0 H ASP A 63 4.718 5.936 23.403 1.00 0.00 H new ATOM 0 HA ASP A 63 5.011 8.220 21.598 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.694 6.222 22.098 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.705 5.361 20.935 1.00 0.00 H new ATOM 963 N LEU A 64 2.409 7.179 21.275 1.00 0.00 N ATOM 964 CA LEU A 64 1.186 6.912 20.527 1.00 0.00 C ATOM 965 C LEU A 64 1.408 7.110 19.031 1.00 0.00 C ATOM 966 O LEU A 64 0.830 6.400 18.208 1.00 0.00 O ATOM 967 CB LEU A 64 0.058 7.826 21.012 1.00 0.00 C ATOM 968 CG LEU A 64 -0.160 7.878 22.524 1.00 0.00 C ATOM 969 CD1 LEU A 64 -1.263 8.865 22.871 1.00 0.00 C ATOM 970 CD2 LEU A 64 -0.492 6.494 23.063 1.00 0.00 C ATOM 0 H LEU A 64 2.264 7.659 22.163 1.00 0.00 H new ATOM 0 HA LEU A 64 0.904 5.873 20.699 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.260 8.837 20.659 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.871 7.504 20.542 1.00 0.00 H new ATOM 0 HG LEU A 64 0.764 8.217 22.993 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.404 8.888 23.952 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.986 9.859 22.520 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.192 8.557 22.391 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.644 6.550 24.141 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.401 6.127 22.587 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.331 5.813 22.848 1.00 0.00 H new ATOM 982 N ILE A 65 2.251 8.078 18.687 1.00 0.00 N ATOM 983 CA ILE A 65 2.553 8.367 17.290 1.00 0.00 C ATOM 984 C ILE A 65 3.130 7.142 16.588 1.00 0.00 C ATOM 985 O ILE A 65 2.641 6.729 15.538 1.00 0.00 O ATOM 986 CB ILE A 65 3.547 9.536 17.159 1.00 0.00 C ATOM 987 CG1 ILE A 65 2.935 10.820 17.722 1.00 0.00 C ATOM 988 CG2 ILE A 65 3.949 9.728 15.704 1.00 0.00 C ATOM 989 CD1 ILE A 65 1.506 11.050 17.285 1.00 0.00 C ATOM 0 H ILE A 65 2.737 8.675 19.356 1.00 0.00 H new ATOM 0 HA ILE A 65 1.613 8.646 16.815 1.00 0.00 H new ATOM 0 HB ILE A 65 4.442 9.300 17.735 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.972 10.784 18.811 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.543 11.670 17.411 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.652 10.558 15.627 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.420 8.818 15.334 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.063 9.946 15.108 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.137 11.978 17.722 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.465 11.119 16.198 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.885 10.219 17.620 1.00 0.00 H new ATOM 1001 N ASN A 66 4.173 6.565 17.177 1.00 0.00 N ATOM 1002 CA ASN A 66 4.816 5.386 16.608 1.00 0.00 C ATOM 1003 C ASN A 66 3.985 4.134 16.869 1.00 0.00 C ATOM 1004 O ASN A 66 3.953 3.215 16.050 1.00 0.00 O ATOM 1005 CB ASN A 66 6.218 5.213 17.195 1.00 0.00 C ATOM 1006 CG ASN A 66 7.263 6.015 16.443 1.00 0.00 C ATOM 1007 OD1 ASN A 66 8.128 5.453 15.771 1.00 0.00 O ATOM 1008 ND2 ASN A 66 7.187 7.336 16.555 1.00 0.00 N ATOM 0 H ASN A 66 4.590 6.895 18.047 1.00 0.00 H new ATOM 0 HA ASN A 66 4.895 5.529 15.530 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.211 5.520 18.241 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.490 4.158 17.174 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.863 7.928 16.073 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.453 7.758 17.123 1.00 0.00 H new ATOM 1015 N LYS A 67 3.313 4.105 18.015 1.00 0.00 N ATOM 1016 CA LYS A 67 2.479 2.967 18.384 1.00 0.00 C ATOM 1017 C LYS A 67 1.327 2.793 17.399 1.00 0.00 C ATOM 1018 O LYS A 67 0.930 1.672 17.086 1.00 0.00 O ATOM 1019 CB LYS A 67 1.929 3.150 19.801 1.00 0.00 C ATOM 1020 CG LYS A 67 1.628 1.841 20.510 1.00 0.00 C ATOM 1021 CD LYS A 67 2.903 1.096 20.868 1.00 0.00 C ATOM 1022 CE LYS A 67 2.717 0.239 22.111 1.00 0.00 C ATOM 1023 NZ LYS A 67 2.898 1.028 23.361 1.00 0.00 N ATOM 0 H LYS A 67 3.330 4.857 18.704 1.00 0.00 H new ATOM 0 HA LYS A 67 3.098 2.070 18.353 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.650 3.716 20.391 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.018 3.746 19.754 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.055 2.040 21.416 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.006 1.214 19.871 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.204 0.465 20.032 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.709 1.811 21.035 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.721 -0.203 22.102 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.431 -0.584 22.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.752 0.702 23.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.999 2.036 23.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.070 0.899 23.976 1.00 0.00 H new ATOM 1037 N ALA A 68 0.797 3.911 16.913 1.00 0.00 N ATOM 1038 CA ALA A 68 -0.306 3.882 15.960 1.00 0.00 C ATOM 1039 C ALA A 68 0.102 3.182 14.669 1.00 0.00 C ATOM 1040 O ALA A 68 -0.606 2.305 14.174 1.00 0.00 O ATOM 1041 CB ALA A 68 -0.788 5.295 15.667 1.00 0.00 C ATOM 0 H ALA A 68 1.114 4.848 17.164 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.124 3.316 16.406 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.612 5.258 14.954 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.129 5.762 16.591 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.031 5.879 15.246 1.00 0.00 H new ATOM 1047 N LYS A 69 1.250 3.575 14.125 1.00 0.00 N ATOM 1048 CA LYS A 69 1.754 2.985 12.891 1.00 0.00 C ATOM 1049 C LYS A 69 2.138 1.524 13.103 1.00 0.00 C ATOM 1050 O LYS A 69 1.752 0.652 12.324 1.00 0.00 O ATOM 1051 CB LYS A 69 2.963 3.773 12.382 1.00 0.00 C ATOM 1052 CG LYS A 69 2.597 4.911 11.445 1.00 0.00 C ATOM 1053 CD LYS A 69 2.284 6.185 12.211 1.00 0.00 C ATOM 1054 CE LYS A 69 1.746 7.271 11.292 1.00 0.00 C ATOM 1055 NZ LYS A 69 2.840 8.085 10.694 1.00 0.00 N ATOM 0 H LYS A 69 1.849 4.300 14.520 1.00 0.00 H new ATOM 0 HA LYS A 69 0.960 3.028 12.146 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.508 4.177 13.235 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.639 3.092 11.866 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.420 5.094 10.754 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.734 4.625 10.844 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.553 5.972 12.991 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.186 6.542 12.709 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.157 6.814 10.497 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.075 7.921 11.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.432 8.814 10.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.387 8.542 11.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.467 7.469 10.138 1.00 0.00 H new ATOM 1069 N TRP A 70 2.898 1.265 14.161 1.00 0.00 N ATOM 1070 CA TRP A 70 3.333 -0.091 14.475 1.00 0.00 C ATOM 1071 C TRP A 70 2.166 -1.069 14.395 1.00 0.00 C ATOM 1072 O TRP A 70 2.306 -2.175 13.873 1.00 0.00 O ATOM 1073 CB TRP A 70 3.958 -0.138 15.870 1.00 0.00 C ATOM 1074 CG TRP A 70 4.807 -1.351 16.101 1.00 0.00 C ATOM 1075 CD1 TRP A 70 6.130 -1.496 15.796 1.00 0.00 C ATOM 1076 CD2 TRP A 70 4.389 -2.591 16.684 1.00 0.00 C ATOM 1077 NE1 TRP A 70 6.560 -2.751 16.153 1.00 0.00 N ATOM 1078 CE2 TRP A 70 5.512 -3.441 16.701 1.00 0.00 C ATOM 1079 CE3 TRP A 70 3.178 -3.064 17.194 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 5.456 -4.737 17.208 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 3.123 -4.350 17.696 1.00 0.00 C ATOM 1082 CH2 TRP A 70 4.256 -5.174 17.701 1.00 0.00 C ATOM 0 H TRP A 70 3.226 1.976 14.815 1.00 0.00 H new ATOM 0 HA TRP A 70 4.081 -0.385 13.739 1.00 0.00 H new ATOM 0 HB2 TRP A 70 4.565 0.755 16.018 1.00 0.00 H new ATOM 0 HB3 TRP A 70 3.164 -0.111 16.617 1.00 0.00 H new ATOM 0 HD1 TRP A 70 6.748 -0.736 15.341 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.507 -3.110 16.030 1.00 0.00 H new ATOM 0 HE3 TRP A 70 2.300 -2.435 17.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 6.328 -5.374 17.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 2.191 -4.726 18.091 1.00 0.00 H new ATOM 0 HH2 TRP A 70 4.181 -6.174 18.102 1.00 0.00 H new ATOM 1093 N ASP A 71 1.016 -0.655 14.915 1.00 0.00 N ATOM 1094 CA ASP A 71 -0.176 -1.495 14.900 1.00 0.00 C ATOM 1095 C ASP A 71 -0.736 -1.621 13.486 1.00 0.00 C ATOM 1096 O ASP A 71 -1.383 -2.611 13.150 1.00 0.00 O ATOM 1097 CB ASP A 71 -1.242 -0.921 15.835 1.00 0.00 C ATOM 1098 CG ASP A 71 -1.057 -1.372 17.270 1.00 0.00 C ATOM 1099 OD1 ASP A 71 -0.816 -2.579 17.487 1.00 0.00 O ATOM 1100 OD2 ASP A 71 -1.152 -0.519 18.177 1.00 0.00 O ATOM 0 H ASP A 71 0.884 0.257 15.352 1.00 0.00 H new ATOM 0 HA ASP A 71 0.106 -2.488 15.249 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.210 0.168 15.792 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.229 -1.225 15.486 1.00 0.00 H new ATOM 1105 N ALA A 72 -0.482 -0.609 12.663 1.00 0.00 N ATOM 1106 CA ALA A 72 -0.959 -0.606 11.286 1.00 0.00 C ATOM 1107 C ALA A 72 -0.101 -1.509 10.406 1.00 0.00 C ATOM 1108 O ALA A 72 -0.621 -2.279 9.598 1.00 0.00 O ATOM 1109 CB ALA A 72 -0.973 0.812 10.735 1.00 0.00 C ATOM 0 H ALA A 72 0.052 0.219 12.926 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.977 -0.996 11.279 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.331 0.799 9.706 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.634 1.431 11.341 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.036 1.223 10.763 1.00 0.00 H new ATOM 1115 N TRP A 73 1.213 -1.409 10.568 1.00 0.00 N ATOM 1116 CA TRP A 73 2.143 -2.217 9.787 1.00 0.00 C ATOM 1117 C TRP A 73 2.280 -3.615 10.379 1.00 0.00 C ATOM 1118 O TRP A 73 2.497 -4.587 9.657 1.00 0.00 O ATOM 1119 CB TRP A 73 3.513 -1.539 9.726 1.00 0.00 C ATOM 1120 CG TRP A 73 4.511 -2.292 8.899 1.00 0.00 C ATOM 1121 CD1 TRP A 73 4.250 -3.291 8.006 1.00 0.00 C ATOM 1122 CD2 TRP A 73 5.931 -2.105 8.891 1.00 0.00 C ATOM 1123 NE1 TRP A 73 5.421 -3.738 7.444 1.00 0.00 N ATOM 1124 CE2 TRP A 73 6.467 -3.026 7.969 1.00 0.00 C ATOM 1125 CE3 TRP A 73 6.802 -1.250 9.571 1.00 0.00 C ATOM 1126 CZ2 TRP A 73 7.832 -3.113 7.713 1.00 0.00 C ATOM 1127 CZ3 TRP A 73 8.157 -1.338 9.316 1.00 0.00 C ATOM 1128 CH2 TRP A 73 8.662 -2.263 8.393 1.00 0.00 C ATOM 0 H TRP A 73 1.659 -0.777 11.233 1.00 0.00 H new ATOM 0 HA TRP A 73 1.745 -2.308 8.776 1.00 0.00 H new ATOM 0 HB2 TRP A 73 3.396 -0.535 9.317 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.901 -1.427 10.739 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.267 -3.674 7.775 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.499 -4.480 6.748 1.00 0.00 H new ATOM 0 HE3 TRP A 73 6.423 -0.533 10.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.223 -3.826 7.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 8.839 -0.682 9.837 1.00 0.00 H new ATOM 0 HH2 TRP A 73 9.726 -2.306 8.215 1.00 0.00 H new ATOM 1139 N ASN A 74 2.150 -3.709 11.699 1.00 0.00 N ATOM 1140 CA ASN A 74 2.260 -4.990 12.388 1.00 0.00 C ATOM 1141 C ASN A 74 1.147 -5.939 11.953 1.00 0.00 C ATOM 1142 O ASN A 74 1.391 -7.114 11.679 1.00 0.00 O ATOM 1143 CB ASN A 74 2.206 -4.784 13.903 1.00 0.00 C ATOM 1144 CG ASN A 74 2.095 -6.092 14.661 1.00 0.00 C ATOM 1145 OD1 ASN A 74 2.632 -7.116 14.238 1.00 0.00 O ATOM 1146 ND2 ASN A 74 1.394 -6.065 15.789 1.00 0.00 N ATOM 0 H ASN A 74 1.969 -2.914 12.312 1.00 0.00 H new ATOM 0 HA ASN A 74 3.218 -5.436 12.122 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.102 -4.255 14.227 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.354 -4.150 14.151 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.284 -6.915 16.342 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.966 -5.194 16.103 1.00 0.00 H new ATOM 1153 N ALA A 75 -0.075 -5.421 11.891 1.00 0.00 N ATOM 1154 CA ALA A 75 -1.224 -6.220 11.487 1.00 0.00 C ATOM 1155 C ALA A 75 -0.916 -7.029 10.232 1.00 0.00 C ATOM 1156 O ALA A 75 -1.259 -8.209 10.141 1.00 0.00 O ATOM 1157 CB ALA A 75 -2.434 -5.327 11.257 1.00 0.00 C ATOM 0 H ALA A 75 -0.294 -4.451 12.116 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.450 -6.919 12.292 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.285 -5.938 10.956 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.676 -4.797 12.178 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.209 -4.605 10.472 1.00 0.00 H new ATOM 1163 N LEU A 76 -0.268 -6.389 9.265 1.00 0.00 N ATOM 1164 CA LEU A 76 0.087 -7.049 8.014 1.00 0.00 C ATOM 1165 C LEU A 76 0.682 -8.429 8.275 1.00 0.00 C ATOM 1166 O LEU A 76 0.245 -9.425 7.699 1.00 0.00 O ATOM 1167 CB LEU A 76 1.080 -6.194 7.226 1.00 0.00 C ATOM 1168 CG LEU A 76 0.478 -5.070 6.383 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.032 -5.612 5.056 1.00 0.00 C ATOM 1170 CD2 LEU A 76 -0.642 -4.375 7.143 1.00 0.00 C ATOM 0 H LEU A 76 0.022 -5.413 9.324 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.823 -7.171 7.427 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.788 -5.754 7.929 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.650 -6.849 6.567 1.00 0.00 H new ATOM 0 HG LEU A 76 1.259 -4.338 6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.457 -4.797 4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.794 -6.063 4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.799 -6.364 5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.059 -3.578 6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.424 -5.097 7.380 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.247 -3.952 8.067 1.00 0.00 H new ATOM 1182 N GLY A 77 1.680 -8.481 9.152 1.00 0.00 N ATOM 1183 CA GLY A 77 2.318 -9.744 9.476 1.00 0.00 C ATOM 1184 C GLY A 77 3.295 -10.192 8.408 1.00 0.00 C ATOM 1185 O GLY A 77 4.118 -9.404 7.940 1.00 0.00 O ATOM 0 H GLY A 77 2.058 -7.671 9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.843 -9.649 10.427 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.554 -10.510 9.609 1.00 0.00 H new ATOM 1189 N SER A 78 3.208 -11.460 8.022 1.00 0.00 N ATOM 1190 CA SER A 78 4.095 -12.013 7.006 1.00 0.00 C ATOM 1191 C SER A 78 3.564 -11.724 5.605 1.00 0.00 C ATOM 1192 O SER A 78 3.728 -12.529 4.687 1.00 0.00 O ATOM 1193 CB SER A 78 4.252 -13.523 7.202 1.00 0.00 C ATOM 1194 OG SER A 78 5.006 -13.809 8.367 1.00 0.00 O ATOM 0 H SER A 78 2.532 -12.125 8.398 1.00 0.00 H new ATOM 0 HA SER A 78 5.069 -11.536 7.112 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.269 -13.987 7.278 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.743 -13.957 6.331 1.00 0.00 H new ATOM 0 HG SER A 78 5.091 -14.780 8.472 1.00 0.00 H new ATOM 1200 N LEU A 79 2.927 -10.569 5.448 1.00 0.00 N ATOM 1201 CA LEU A 79 2.371 -10.171 4.159 1.00 0.00 C ATOM 1202 C LEU A 79 3.480 -9.829 3.170 1.00 0.00 C ATOM 1203 O LEU A 79 4.318 -8.960 3.415 1.00 0.00 O ATOM 1204 CB LEU A 79 1.438 -8.971 4.333 1.00 0.00 C ATOM 1205 CG LEU A 79 0.427 -8.739 3.209 1.00 0.00 C ATOM 1206 CD1 LEU A 79 1.140 -8.381 1.915 1.00 0.00 C ATOM 1207 CD2 LEU A 79 -0.447 -9.970 3.015 1.00 0.00 C ATOM 0 H LEU A 79 2.783 -9.892 6.197 1.00 0.00 H new ATOM 0 HA LEU A 79 1.802 -11.011 3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.891 -9.094 5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.048 -8.074 4.437 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.214 -7.903 3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.404 -8.220 1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.722 -7.471 2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.805 -9.195 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.160 -9.787 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.179 -10.824 2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.987 -10.182 3.938 1.00 0.00 H new ATOM 1219 N PRO A 80 3.487 -10.525 2.024 1.00 0.00 N ATOM 1220 CA PRO A 80 4.486 -10.310 0.973 1.00 0.00 C ATOM 1221 C PRO A 80 4.310 -8.968 0.271 1.00 0.00 C ATOM 1222 O PRO A 80 3.215 -8.407 0.248 1.00 0.00 O ATOM 1223 CB PRO A 80 4.229 -11.462 -0.002 1.00 0.00 C ATOM 1224 CG PRO A 80 2.799 -11.824 0.208 1.00 0.00 C ATOM 1225 CD PRO A 80 2.519 -11.576 1.665 1.00 0.00 C ATOM 0 HA PRO A 80 5.500 -10.290 1.373 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.413 -11.157 -1.032 1.00 0.00 H new ATOM 0 HB3 PRO A 80 4.886 -12.308 0.202 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.147 -11.220 -0.423 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.618 -12.867 -0.052 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.492 -11.249 1.827 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.664 -12.477 2.261 1.00 0.00 H new ATOM 1233 N LYS A 81 5.395 -8.459 -0.303 1.00 0.00 N ATOM 1234 CA LYS A 81 5.361 -7.183 -1.008 1.00 0.00 C ATOM 1235 C LYS A 81 4.365 -7.226 -2.163 1.00 0.00 C ATOM 1236 O LYS A 81 3.519 -6.343 -2.297 1.00 0.00 O ATOM 1237 CB LYS A 81 6.753 -6.830 -1.535 1.00 0.00 C ATOM 1238 CG LYS A 81 7.736 -6.443 -0.444 1.00 0.00 C ATOM 1239 CD LYS A 81 9.174 -6.670 -0.882 1.00 0.00 C ATOM 1240 CE LYS A 81 10.155 -5.967 0.043 1.00 0.00 C ATOM 1241 NZ LYS A 81 11.448 -5.676 -0.637 1.00 0.00 N ATOM 0 H LYS A 81 6.309 -8.911 -0.294 1.00 0.00 H new ATOM 0 HA LYS A 81 5.041 -6.416 -0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.151 -7.683 -2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.666 -6.006 -2.243 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.596 -5.394 -0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.532 -7.026 0.454 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.387 -7.739 -0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.307 -6.305 -1.901 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.715 -5.036 0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.337 -6.589 0.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.089 -5.197 0.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.881 -6.566 -0.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.278 -5.061 -1.458 1.00 0.00 H new ATOM 1255 N GLU A 82 4.471 -8.260 -2.992 1.00 0.00 N ATOM 1256 CA GLU A 82 3.578 -8.417 -4.134 1.00 0.00 C ATOM 1257 C GLU A 82 2.127 -8.181 -3.727 1.00 0.00 C ATOM 1258 O GLU A 82 1.355 -7.572 -4.466 1.00 0.00 O ATOM 1259 CB GLU A 82 3.729 -9.814 -4.739 1.00 0.00 C ATOM 1260 CG GLU A 82 3.363 -10.935 -3.781 1.00 0.00 C ATOM 1261 CD GLU A 82 3.258 -12.281 -4.471 1.00 0.00 C ATOM 1262 OE1 GLU A 82 4.150 -12.602 -5.284 1.00 0.00 O ATOM 1263 OE2 GLU A 82 2.283 -13.014 -4.199 1.00 0.00 O ATOM 0 H GLU A 82 5.166 -9.001 -2.894 1.00 0.00 H new ATOM 0 HA GLU A 82 3.852 -7.673 -4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.100 -9.886 -5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.760 -9.949 -5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.113 -10.993 -2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.413 -10.702 -3.301 1.00 0.00 H new ATOM 1270 N ALA A 83 1.763 -8.670 -2.545 1.00 0.00 N ATOM 1271 CA ALA A 83 0.406 -8.512 -2.038 1.00 0.00 C ATOM 1272 C ALA A 83 0.226 -7.156 -1.363 1.00 0.00 C ATOM 1273 O ALA A 83 -0.814 -6.514 -1.507 1.00 0.00 O ATOM 1274 CB ALA A 83 0.070 -9.635 -1.068 1.00 0.00 C ATOM 0 H ALA A 83 2.390 -9.179 -1.921 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.279 -8.561 -2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.947 -9.504 -0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.149 -10.594 -1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.767 -9.613 -0.230 1.00 0.00 H new ATOM 1280 N ALA A 84 1.246 -6.728 -0.627 1.00 0.00 N ATOM 1281 CA ALA A 84 1.201 -5.448 0.069 1.00 0.00 C ATOM 1282 C ALA A 84 0.792 -4.323 -0.876 1.00 0.00 C ATOM 1283 O ALA A 84 -0.076 -3.512 -0.552 1.00 0.00 O ATOM 1284 CB ALA A 84 2.550 -5.144 0.703 1.00 0.00 C ATOM 0 H ALA A 84 2.113 -7.249 -0.497 1.00 0.00 H new ATOM 0 HA ALA A 84 0.450 -5.517 0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.502 -4.185 1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.801 -5.928 1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.315 -5.100 -0.072 1.00 0.00 H new ATOM 1290 N ARG A 85 1.424 -4.280 -2.045 1.00 0.00 N ATOM 1291 CA ARG A 85 1.127 -3.253 -3.036 1.00 0.00 C ATOM 1292 C ARG A 85 -0.313 -3.371 -3.527 1.00 0.00 C ATOM 1293 O ARG A 85 -1.020 -2.372 -3.652 1.00 0.00 O ATOM 1294 CB ARG A 85 2.091 -3.361 -4.218 1.00 0.00 C ATOM 1295 CG ARG A 85 3.360 -2.542 -4.047 1.00 0.00 C ATOM 1296 CD ARG A 85 4.031 -2.269 -5.384 1.00 0.00 C ATOM 1297 NE ARG A 85 5.218 -1.430 -5.239 1.00 0.00 N ATOM 1298 CZ ARG A 85 6.390 -1.882 -4.807 1.00 0.00 C ATOM 1299 NH1 ARG A 85 6.532 -3.159 -4.481 1.00 0.00 N ATOM 1300 NH2 ARG A 85 7.423 -1.056 -4.703 1.00 0.00 N ATOM 0 H ARG A 85 2.144 -4.944 -2.328 1.00 0.00 H new ATOM 0 HA ARG A 85 1.252 -2.279 -2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.361 -4.407 -4.361 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.579 -3.037 -5.124 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.122 -1.597 -3.559 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.052 -3.073 -3.393 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.310 -3.214 -5.849 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.322 -1.781 -6.053 1.00 0.00 H new ATOM 0 HE ARG A 85 5.143 -0.442 -5.483 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.740 -3.797 -4.562 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.433 -3.504 -4.150 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.318 -0.073 -4.955 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.323 -1.404 -4.371 1.00 0.00 H new ATOM 1314 N GLN A 86 -0.739 -4.599 -3.805 1.00 0.00 N ATOM 1315 CA GLN A 86 -2.093 -4.848 -4.284 1.00 0.00 C ATOM 1316 C GLN A 86 -3.126 -4.313 -3.298 1.00 0.00 C ATOM 1317 O GLN A 86 -4.189 -3.837 -3.694 1.00 0.00 O ATOM 1318 CB GLN A 86 -2.312 -6.345 -4.507 1.00 0.00 C ATOM 1319 CG GLN A 86 -3.400 -6.657 -5.521 1.00 0.00 C ATOM 1320 CD GLN A 86 -4.758 -6.133 -5.100 1.00 0.00 C ATOM 1321 OE1 GLN A 86 -5.376 -6.653 -4.170 1.00 0.00 O ATOM 1322 NE2 GLN A 86 -5.232 -5.097 -5.782 1.00 0.00 N ATOM 0 H GLN A 86 -0.166 -5.437 -3.707 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.217 -4.325 -5.232 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.377 -6.795 -4.840 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.569 -6.812 -3.556 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.130 -6.223 -6.483 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.460 -7.736 -5.664 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.687 -4.697 -6.546 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.141 -4.702 -5.542 1.00 0.00 H new ATOM 1331 N ASN A 87 -2.805 -4.394 -2.010 1.00 0.00 N ATOM 1332 CA ASN A 87 -3.706 -3.918 -0.967 1.00 0.00 C ATOM 1333 C ASN A 87 -3.697 -2.394 -0.893 1.00 0.00 C ATOM 1334 O ASN A 87 -4.733 -1.767 -0.668 1.00 0.00 O ATOM 1335 CB ASN A 87 -3.307 -4.507 0.388 1.00 0.00 C ATOM 1336 CG ASN A 87 -3.824 -5.920 0.578 1.00 0.00 C ATOM 1337 OD1 ASN A 87 -4.992 -6.127 0.908 1.00 0.00 O ATOM 1338 ND2 ASN A 87 -2.954 -6.902 0.371 1.00 0.00 N ATOM 0 H ASN A 87 -1.928 -4.785 -1.664 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.715 -4.246 -1.216 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.221 -4.505 0.476 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.692 -3.872 1.185 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.245 -7.873 0.484 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.995 -6.685 0.099 1.00 0.00 H new ATOM 1345 N TYR A 88 -2.522 -1.805 -1.085 1.00 0.00 N ATOM 1346 CA TYR A 88 -2.378 -0.355 -1.039 1.00 0.00 C ATOM 1347 C TYR A 88 -3.213 0.311 -2.128 1.00 0.00 C ATOM 1348 O TYR A 88 -3.928 1.280 -1.873 1.00 0.00 O ATOM 1349 CB TYR A 88 -0.908 0.037 -1.197 1.00 0.00 C ATOM 1350 CG TYR A 88 -0.663 1.525 -1.086 1.00 0.00 C ATOM 1351 CD1 TYR A 88 -1.132 2.400 -2.058 1.00 0.00 C ATOM 1352 CD2 TYR A 88 0.037 2.056 -0.009 1.00 0.00 C ATOM 1353 CE1 TYR A 88 -0.909 3.760 -1.962 1.00 0.00 C ATOM 1354 CE2 TYR A 88 0.262 3.415 0.096 1.00 0.00 C ATOM 1355 CZ TYR A 88 -0.212 4.263 -0.883 1.00 0.00 C ATOM 1356 OH TYR A 88 0.010 5.617 -0.782 1.00 0.00 O ATOM 0 H TYR A 88 -1.656 -2.309 -1.274 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.738 -0.010 -0.069 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.320 -0.477 -0.437 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.550 -0.310 -2.166 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.680 2.010 -2.903 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.411 1.395 0.759 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.278 4.426 -2.728 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.806 3.811 0.940 1.00 0.00 H new ATOM 0 HH TYR A 88 0.514 5.806 0.037 1.00 0.00 H new ATOM 1366 N VAL A 89 -3.117 -0.217 -3.344 1.00 0.00 N ATOM 1367 CA VAL A 89 -3.864 0.323 -4.474 1.00 0.00 C ATOM 1368 C VAL A 89 -5.353 0.024 -4.341 1.00 0.00 C ATOM 1369 O VAL A 89 -6.196 0.824 -4.747 1.00 0.00 O ATOM 1370 CB VAL A 89 -3.353 -0.248 -5.810 1.00 0.00 C ATOM 1371 CG1 VAL A 89 -1.994 0.339 -6.157 1.00 0.00 C ATOM 1372 CG2 VAL A 89 -3.287 -1.767 -5.748 1.00 0.00 C ATOM 0 H VAL A 89 -2.529 -1.019 -3.572 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.711 1.402 -4.468 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.054 0.031 -6.597 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.649 -0.076 -7.104 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.077 1.422 -6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.280 0.092 -5.371 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.924 -2.155 -6.700 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.608 -2.069 -4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.281 -2.167 -5.549 1.00 0.00 H new ATOM 1382 N ASP A 90 -5.669 -1.134 -3.771 1.00 0.00 N ATOM 1383 CA ASP A 90 -7.058 -1.539 -3.583 1.00 0.00 C ATOM 1384 C ASP A 90 -7.843 -0.461 -2.843 1.00 0.00 C ATOM 1385 O ASP A 90 -9.020 -0.232 -3.124 1.00 0.00 O ATOM 1386 CB ASP A 90 -7.126 -2.858 -2.812 1.00 0.00 C ATOM 1387 CG ASP A 90 -8.491 -3.511 -2.902 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -9.503 -2.781 -2.839 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -8.549 -4.752 -3.033 1.00 0.00 O ATOM 0 H ASP A 90 -4.983 -1.808 -3.431 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.507 -1.678 -4.566 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.373 -3.543 -3.202 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.881 -2.677 -1.765 1.00 0.00 H new ATOM 1394 N LEU A 91 -7.185 0.197 -1.895 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.822 1.251 -1.112 1.00 0.00 C ATOM 1396 C LEU A 91 -7.990 2.519 -1.942 1.00 0.00 C ATOM 1397 O LEU A 91 -9.109 2.981 -2.171 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.997 1.553 0.140 1.00 0.00 C ATOM 1399 CG LEU A 91 -7.563 2.622 1.075 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -7.371 4.008 0.479 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -9.036 2.360 1.356 1.00 0.00 C ATOM 0 H LEU A 91 -6.211 0.020 -1.650 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.810 0.901 -0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.881 0.629 0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.000 1.863 -0.172 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.020 2.576 2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.780 4.756 1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.308 4.196 0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.888 4.067 -0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.422 3.131 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.594 2.378 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.149 1.383 1.827 1.00 0.00 H new ATOM 1413 N VAL A 92 -6.872 3.078 -2.394 1.00 0.00 N ATOM 1414 CA VAL A 92 -6.895 4.291 -3.201 1.00 0.00 C ATOM 1415 C VAL A 92 -7.937 4.193 -4.310 1.00 0.00 C ATOM 1416 O VAL A 92 -8.567 5.187 -4.674 1.00 0.00 O ATOM 1417 CB VAL A 92 -5.518 4.573 -3.830 1.00 0.00 C ATOM 1418 CG1 VAL A 92 -5.549 5.870 -4.626 1.00 0.00 C ATOM 1419 CG2 VAL A 92 -4.442 4.623 -2.756 1.00 0.00 C ATOM 0 H VAL A 92 -5.938 2.709 -2.214 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.156 5.111 -2.532 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.278 3.760 -4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.567 6.052 -5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.291 5.792 -5.421 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.811 6.696 -3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.475 4.823 -3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.675 5.415 -2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.404 3.667 -2.235 1.00 0.00 H new ATOM 1429 N SER A 93 -8.115 2.989 -4.843 1.00 0.00 N ATOM 1430 CA SER A 93 -9.079 2.761 -5.913 1.00 0.00 C ATOM 1431 C SER A 93 -10.508 2.881 -5.391 1.00 0.00 C ATOM 1432 O SER A 93 -11.414 3.286 -6.120 1.00 0.00 O ATOM 1433 CB SER A 93 -8.866 1.380 -6.535 1.00 0.00 C ATOM 1434 OG SER A 93 -9.466 1.299 -7.816 1.00 0.00 O ATOM 0 H SER A 93 -7.604 2.156 -4.551 1.00 0.00 H new ATOM 0 HA SER A 93 -8.924 3.523 -6.677 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.799 1.175 -6.617 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.288 0.615 -5.883 1.00 0.00 H new ATOM 0 HG SER A 93 -9.314 0.407 -8.193 1.00 0.00 H new ATOM 1440 N SER A 94 -10.701 2.526 -4.125 1.00 0.00 N ATOM 1441 CA SER A 94 -12.019 2.590 -3.506 1.00 0.00 C ATOM 1442 C SER A 94 -12.476 4.037 -3.348 1.00 0.00 C ATOM 1443 O SER A 94 -13.664 4.342 -3.466 1.00 0.00 O ATOM 1444 CB SER A 94 -11.999 1.898 -2.141 1.00 0.00 C ATOM 1445 OG SER A 94 -11.645 0.532 -2.268 1.00 0.00 O ATOM 0 H SER A 94 -9.961 2.191 -3.508 1.00 0.00 H new ATOM 0 HA SER A 94 -12.724 2.074 -4.157 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.289 2.402 -1.485 1.00 0.00 H new ATOM 0 HB3 SER A 94 -12.980 1.981 -1.673 1.00 0.00 H new ATOM 0 HG SER A 94 -10.711 0.462 -2.556 1.00 0.00 H new ATOM 1451 N LEU A 95 -11.525 4.925 -3.081 1.00 0.00 N ATOM 1452 CA LEU A 95 -11.827 6.341 -2.907 1.00 0.00 C ATOM 1453 C LEU A 95 -12.221 6.982 -4.234 1.00 0.00 C ATOM 1454 O LEU A 95 -13.224 7.690 -4.320 1.00 0.00 O ATOM 1455 CB LEU A 95 -10.621 7.072 -2.313 1.00 0.00 C ATOM 1456 CG LEU A 95 -10.149 6.583 -0.943 1.00 0.00 C ATOM 1457 CD1 LEU A 95 -8.724 7.043 -0.675 1.00 0.00 C ATOM 1458 CD2 LEU A 95 -11.084 7.075 0.151 1.00 0.00 C ATOM 0 H LEU A 95 -10.538 4.689 -2.980 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.669 6.425 -2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.790 6.988 -3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.866 8.131 -2.234 1.00 0.00 H new ATOM 0 HG LEU A 95 -10.164 5.493 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.405 6.686 0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.062 6.641 -1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.683 8.132 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.732 6.717 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -11.102 8.165 0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -12.089 6.696 -0.032 1.00 0.00 H new