USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 528 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 38 GLN : amide:sc= -1.09 K(o=-6.1,f=-7.4) USER MOD Set 1.2: A 77 MET CE :methyl 154:sc= -4.98! (180deg=-6.23!) USER MOD Single : A 17 THR OG1 : rot 27:sc= -0.536 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.132 USER MOD Single : A 44 ASN : amide:sc= -1.31 X(o=-1.3,f=-1.2) USER MOD Single : A 45 THR OG1 : rot -149:sc= 0.0157 USER MOD Single : A 46 HIS : no HD1:sc= -0.823 K(o=-0.82,f=-2.6!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0655 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 151:sc= -0.0312 (180deg=-1.13) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -162:sc= -0.0144 (180deg=-0.144) USER MOD Single : A 83 TYR OH : rot 30:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -165:sc= -0.368 (180deg=-1) USER MOD Single : A 90 ASN : amide:sc= -1.73! C(o=-1.7!,f=-2.1!) USER MOD Single : A 91 LYS NZ :NH3+ -167:sc=-0.00305 (180deg=-0.0935) USER MOD ----------------------------------------------------------------- ATOM 202 N THR A 17 3.416 4.501 1.556 1.00 0.00 N ATOM 203 CA THR A 17 4.047 3.300 2.088 1.00 0.00 C ATOM 204 C THR A 17 3.104 2.554 3.025 1.00 0.00 C ATOM 205 O THR A 17 2.209 3.149 3.625 1.00 0.00 O ATOM 206 CB THR A 17 5.345 3.636 2.846 1.00 0.00 C ATOM 207 OG1 THR A 17 6.229 4.377 1.998 1.00 0.00 O ATOM 208 CG2 THR A 17 6.036 2.368 3.324 1.00 0.00 C ATOM 0 HA THR A 17 4.287 2.665 1.236 1.00 0.00 H new ATOM 0 HB THR A 17 5.086 4.239 3.716 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.707 4.864 1.327 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.950 2.630 3.856 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.371 1.821 3.992 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.283 1.743 2.466 1.00 0.00 H new ATOM 216 N VAL A 18 3.310 1.246 3.146 1.00 0.00 N ATOM 217 CA VAL A 18 2.479 0.418 4.012 1.00 0.00 C ATOM 218 C VAL A 18 3.278 -0.114 5.196 1.00 0.00 C ATOM 219 O VAL A 18 4.502 -0.232 5.130 1.00 0.00 O ATOM 220 CB VAL A 18 1.874 -0.770 3.240 1.00 0.00 C ATOM 221 CG1 VAL A 18 1.282 -0.303 1.919 1.00 0.00 C ATOM 222 CG2 VAL A 18 2.923 -1.847 3.013 1.00 0.00 C ATOM 0 H VAL A 18 4.045 0.737 2.655 1.00 0.00 H new ATOM 0 HA VAL A 18 1.672 1.053 4.378 1.00 0.00 H new ATOM 0 HB VAL A 18 1.070 -1.199 3.839 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.859 -1.156 1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.498 0.430 2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.064 0.152 1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.478 -2.679 2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.750 -1.434 2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.294 -2.202 3.974 1.00 0.00 H new ATOM 232 N TYR A 19 2.579 -0.433 6.279 1.00 0.00 N ATOM 233 CA TYR A 19 3.223 -0.951 7.480 1.00 0.00 C ATOM 234 C TYR A 19 2.995 -2.453 7.616 1.00 0.00 C ATOM 235 O TYR A 19 1.921 -2.896 8.026 1.00 0.00 O ATOM 236 CB TYR A 19 2.694 -0.229 8.720 1.00 0.00 C ATOM 237 CG TYR A 19 3.557 -0.420 9.947 1.00 0.00 C ATOM 238 CD1 TYR A 19 3.762 -1.684 10.487 1.00 0.00 C ATOM 239 CD2 TYR A 19 4.167 0.664 10.567 1.00 0.00 C ATOM 240 CE1 TYR A 19 4.549 -1.863 11.608 1.00 0.00 C ATOM 241 CE2 TYR A 19 4.957 0.494 11.687 1.00 0.00 C ATOM 242 CZ TYR A 19 5.145 -0.771 12.204 1.00 0.00 C ATOM 243 OH TYR A 19 5.930 -0.944 13.321 1.00 0.00 O ATOM 0 H TYR A 19 1.566 -0.342 6.350 1.00 0.00 H new ATOM 0 HA TYR A 19 4.295 -0.771 7.393 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.615 0.836 8.504 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.687 -0.586 8.936 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.298 -2.541 10.022 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.021 1.656 10.166 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.697 -2.852 12.015 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.425 1.347 12.156 1.00 0.00 H new ATOM 0 HH TYR A 19 6.275 -0.076 13.616 1.00 0.00 H new ATOM 253 N VAL A 20 4.014 -3.234 7.270 1.00 0.00 N ATOM 254 CA VAL A 20 3.927 -4.687 7.355 1.00 0.00 C ATOM 255 C VAL A 20 4.541 -5.200 8.652 1.00 0.00 C ATOM 256 O VAL A 20 5.757 -5.151 8.837 1.00 0.00 O ATOM 257 CB VAL A 20 4.632 -5.362 6.163 1.00 0.00 C ATOM 258 CG1 VAL A 20 4.428 -6.868 6.205 1.00 0.00 C ATOM 259 CG2 VAL A 20 4.129 -4.783 4.850 1.00 0.00 C ATOM 0 H VAL A 20 4.909 -2.884 6.928 1.00 0.00 H new ATOM 0 HA VAL A 20 2.868 -4.942 7.333 1.00 0.00 H new ATOM 0 HB VAL A 20 5.701 -5.163 6.235 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.933 -7.327 5.355 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.842 -7.266 7.132 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.362 -7.092 6.158 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.638 -5.271 4.019 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.055 -4.950 4.767 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.333 -3.713 4.822 1.00 0.00 H new ATOM 269 N GLY A 21 3.692 -5.692 9.549 1.00 0.00 N ATOM 270 CA GLY A 21 4.170 -6.207 10.819 1.00 0.00 C ATOM 271 C GLY A 21 3.649 -7.600 11.112 1.00 0.00 C ATOM 272 O GLY A 21 2.469 -7.778 11.414 1.00 0.00 O ATOM 0 H GLY A 21 2.682 -5.743 9.419 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.260 -6.224 10.814 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.865 -5.533 11.619 1.00 0.00 H new ATOM 276 N GLY A 22 4.530 -8.591 11.023 1.00 0.00 N ATOM 277 CA GLY A 22 4.133 -9.963 11.283 1.00 0.00 C ATOM 278 C GLY A 22 4.320 -10.859 10.075 1.00 0.00 C ATOM 279 O GLY A 22 3.367 -11.473 9.594 1.00 0.00 O ATOM 0 H GLY A 22 5.512 -8.469 10.775 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.716 -10.355 12.116 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.087 -9.984 11.589 1.00 0.00 H new ATOM 283 N LEU A 23 5.551 -10.935 9.582 1.00 0.00 N ATOM 284 CA LEU A 23 5.861 -11.762 8.421 1.00 0.00 C ATOM 285 C LEU A 23 6.571 -13.045 8.840 1.00 0.00 C ATOM 286 O LEU A 23 7.286 -13.071 9.842 1.00 0.00 O ATOM 287 CB LEU A 23 6.731 -10.983 7.433 1.00 0.00 C ATOM 288 CG LEU A 23 6.146 -9.670 6.913 1.00 0.00 C ATOM 289 CD1 LEU A 23 7.217 -8.847 6.213 1.00 0.00 C ATOM 290 CD2 LEU A 23 4.980 -9.941 5.973 1.00 0.00 C ATOM 0 H LEU A 23 6.351 -10.434 9.968 1.00 0.00 H new ATOM 0 HA LEU A 23 4.922 -12.030 7.936 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.686 -10.767 7.913 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.941 -11.627 6.579 1.00 0.00 H new ATOM 0 HG LEU A 23 5.776 -9.098 7.764 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.781 -7.916 5.850 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.020 -8.622 6.915 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.618 -9.412 5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.576 -8.995 5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.325 -10.534 5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.202 -10.488 6.506 1.00 0.00 H new ATOM 302 N ASP A 24 6.371 -14.106 8.066 1.00 0.00 N ATOM 303 CA ASP A 24 6.995 -15.392 8.355 1.00 0.00 C ATOM 304 C ASP A 24 8.407 -15.452 7.781 1.00 0.00 C ATOM 305 O ASP A 24 8.704 -14.814 6.771 1.00 0.00 O ATOM 306 CB ASP A 24 6.150 -16.532 7.785 1.00 0.00 C ATOM 307 CG ASP A 24 6.431 -17.857 8.466 1.00 0.00 C ATOM 308 OD1 ASP A 24 7.570 -18.354 8.349 1.00 0.00 O ATOM 309 OD2 ASP A 24 5.511 -18.398 9.116 1.00 0.00 O ATOM 0 H ASP A 24 5.782 -14.101 7.234 1.00 0.00 H new ATOM 0 HA ASP A 24 7.058 -15.503 9.438 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.094 -16.287 7.895 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.346 -16.627 6.717 1.00 0.00 H new ATOM 314 N GLU A 25 9.273 -16.223 8.431 1.00 0.00 N ATOM 315 CA GLU A 25 10.654 -16.364 7.986 1.00 0.00 C ATOM 316 C GLU A 25 10.725 -16.493 6.467 1.00 0.00 C ATOM 317 O GLU A 25 11.591 -15.902 5.822 1.00 0.00 O ATOM 318 CB GLU A 25 11.303 -17.584 8.643 1.00 0.00 C ATOM 319 CG GLU A 25 10.586 -18.890 8.344 1.00 0.00 C ATOM 320 CD GLU A 25 11.380 -20.105 8.783 1.00 0.00 C ATOM 321 OE1 GLU A 25 12.402 -20.411 8.134 1.00 0.00 O ATOM 322 OE2 GLU A 25 10.979 -20.750 9.775 1.00 0.00 O ATOM 0 H GLU A 25 9.042 -16.759 9.267 1.00 0.00 H new ATOM 0 HA GLU A 25 11.198 -15.468 8.284 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.337 -17.661 8.305 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.331 -17.433 9.722 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.618 -18.892 8.846 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.390 -18.956 7.274 1.00 0.00 H new ATOM 329 N LYS A 26 9.808 -17.270 5.901 1.00 0.00 N ATOM 330 CA LYS A 26 9.764 -17.478 4.459 1.00 0.00 C ATOM 331 C LYS A 26 9.751 -16.145 3.717 1.00 0.00 C ATOM 332 O LYS A 26 10.548 -15.922 2.807 1.00 0.00 O ATOM 333 CB LYS A 26 8.528 -18.297 4.078 1.00 0.00 C ATOM 334 CG LYS A 26 8.679 -19.785 4.346 1.00 0.00 C ATOM 335 CD LYS A 26 7.418 -20.548 3.976 1.00 0.00 C ATOM 336 CE LYS A 26 7.331 -20.786 2.476 1.00 0.00 C ATOM 337 NZ LYS A 26 6.557 -22.016 2.153 1.00 0.00 N ATOM 0 H LYS A 26 9.084 -17.767 6.420 1.00 0.00 H new ATOM 0 HA LYS A 26 10.660 -18.027 4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.668 -17.922 4.633 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.315 -18.147 3.020 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.522 -20.175 3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.906 -19.945 5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.403 -21.504 4.499 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.543 -19.990 4.308 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.862 -19.926 1.999 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.336 -20.871 2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.521 -22.143 1.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.019 -22.841 2.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.590 -21.925 2.525 1.00 0.00 H new ATOM 351 N VAL A 27 8.841 -15.261 4.115 1.00 0.00 N ATOM 352 CA VAL A 27 8.727 -13.949 3.489 1.00 0.00 C ATOM 353 C VAL A 27 10.094 -13.413 3.082 1.00 0.00 C ATOM 354 O VAL A 27 11.112 -13.758 3.682 1.00 0.00 O ATOM 355 CB VAL A 27 8.050 -12.935 4.432 1.00 0.00 C ATOM 356 CG1 VAL A 27 8.061 -11.544 3.817 1.00 0.00 C ATOM 357 CG2 VAL A 27 6.630 -13.373 4.754 1.00 0.00 C ATOM 0 H VAL A 27 8.173 -15.429 4.867 1.00 0.00 H new ATOM 0 HA VAL A 27 8.111 -14.075 2.599 1.00 0.00 H new ATOM 0 HB VAL A 27 8.615 -12.899 5.364 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.579 -10.842 4.497 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.091 -11.231 3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.521 -11.561 2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.167 -12.645 5.421 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.052 -13.440 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.651 -14.348 5.240 1.00 0.00 H new ATOM 367 N SER A 28 10.111 -12.567 2.057 1.00 0.00 N ATOM 368 CA SER A 28 11.355 -11.985 1.566 1.00 0.00 C ATOM 369 C SER A 28 11.115 -10.588 1.000 1.00 0.00 C ATOM 370 O SER A 28 9.973 -10.178 0.796 1.00 0.00 O ATOM 371 CB SER A 28 11.974 -12.883 0.493 1.00 0.00 C ATOM 372 OG SER A 28 13.382 -12.729 0.450 1.00 0.00 O ATOM 0 H SER A 28 9.277 -12.269 1.550 1.00 0.00 H new ATOM 0 HA SER A 28 12.046 -11.904 2.405 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.725 -13.924 0.698 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.548 -12.639 -0.480 1.00 0.00 H new ATOM 0 HG SER A 28 13.754 -13.314 -0.242 1.00 0.00 H new ATOM 378 N GLU A 29 12.201 -9.864 0.749 1.00 0.00 N ATOM 379 CA GLU A 29 12.109 -8.513 0.208 1.00 0.00 C ATOM 380 C GLU A 29 11.469 -8.524 -1.177 1.00 0.00 C ATOM 381 O GLU A 29 10.469 -7.853 -1.432 1.00 0.00 O ATOM 382 CB GLU A 29 13.497 -7.873 0.135 1.00 0.00 C ATOM 383 CG GLU A 29 13.856 -7.056 1.364 1.00 0.00 C ATOM 384 CD GLU A 29 15.343 -7.070 1.660 1.00 0.00 C ATOM 385 OE1 GLU A 29 16.134 -6.788 0.736 1.00 0.00 O ATOM 386 OE2 GLU A 29 15.716 -7.363 2.816 1.00 0.00 O ATOM 0 H GLU A 29 13.154 -10.190 0.911 1.00 0.00 H new ATOM 0 HA GLU A 29 11.480 -7.924 0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.242 -8.657 -0.000 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.546 -7.231 -0.745 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.528 -6.027 1.220 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.314 -7.446 2.226 1.00 0.00 H new ATOM 393 N PRO A 30 12.058 -9.305 -2.095 1.00 0.00 N ATOM 394 CA PRO A 30 11.563 -9.423 -3.469 1.00 0.00 C ATOM 395 C PRO A 30 10.235 -10.169 -3.545 1.00 0.00 C ATOM 396 O PRO A 30 9.710 -10.415 -4.632 1.00 0.00 O ATOM 397 CB PRO A 30 12.664 -10.218 -4.176 1.00 0.00 C ATOM 398 CG PRO A 30 13.326 -10.995 -3.091 1.00 0.00 C ATOM 399 CD PRO A 30 13.253 -10.133 -1.861 1.00 0.00 C ATOM 0 HA PRO A 30 11.367 -8.449 -3.917 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.249 -10.877 -4.938 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.371 -9.556 -4.677 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.822 -11.948 -2.930 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.361 -11.221 -3.348 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.156 -10.732 -0.956 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.148 -9.522 -1.744 1.00 0.00 H new ATOM 407 N LEU A 31 9.696 -10.526 -2.385 1.00 0.00 N ATOM 408 CA LEU A 31 8.427 -11.244 -2.319 1.00 0.00 C ATOM 409 C LEU A 31 7.257 -10.273 -2.203 1.00 0.00 C ATOM 410 O LEU A 31 6.332 -10.299 -3.016 1.00 0.00 O ATOM 411 CB LEU A 31 8.425 -12.208 -1.131 1.00 0.00 C ATOM 412 CG LEU A 31 7.126 -12.980 -0.896 1.00 0.00 C ATOM 413 CD1 LEU A 31 6.946 -14.057 -1.954 1.00 0.00 C ATOM 414 CD2 LEU A 31 7.114 -13.592 0.498 1.00 0.00 C ATOM 0 H LEU A 31 10.117 -10.330 -1.477 1.00 0.00 H new ATOM 0 HA LEU A 31 8.312 -11.814 -3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.232 -12.928 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.656 -11.642 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 31 6.292 -12.282 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.016 -14.596 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.909 -13.595 -2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.783 -14.753 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.182 -14.138 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.956 -14.276 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.195 -12.801 1.243 1.00 0.00 H new ATOM 426 N LEU A 32 7.305 -9.416 -1.190 1.00 0.00 N ATOM 427 CA LEU A 32 6.250 -8.433 -0.968 1.00 0.00 C ATOM 428 C LEU A 32 5.960 -7.648 -2.243 1.00 0.00 C ATOM 429 O LEU A 32 4.803 -7.407 -2.586 1.00 0.00 O ATOM 430 CB LEU A 32 6.646 -7.475 0.156 1.00 0.00 C ATOM 431 CG LEU A 32 7.225 -8.120 1.416 1.00 0.00 C ATOM 432 CD1 LEU A 32 7.602 -7.057 2.436 1.00 0.00 C ATOM 433 CD2 LEU A 32 6.232 -9.107 2.013 1.00 0.00 C ATOM 0 H LEU A 32 8.063 -9.381 -0.509 1.00 0.00 H new ATOM 0 HA LEU A 32 5.345 -8.967 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.379 -6.770 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.767 -6.896 0.440 1.00 0.00 H new ATOM 0 HG LEU A 32 8.128 -8.665 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.012 -7.535 3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.349 -6.389 2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.716 -6.484 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.660 -9.557 2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.312 -8.584 2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.012 -9.888 1.285 1.00 0.00 H new ATOM 445 N TRP A 33 7.019 -7.253 -2.941 1.00 0.00 N ATOM 446 CA TRP A 33 6.878 -6.497 -4.181 1.00 0.00 C ATOM 447 C TRP A 33 5.783 -7.090 -5.059 1.00 0.00 C ATOM 448 O TRP A 33 4.734 -6.477 -5.257 1.00 0.00 O ATOM 449 CB TRP A 33 8.204 -6.475 -4.942 1.00 0.00 C ATOM 450 CG TRP A 33 8.334 -5.310 -5.876 1.00 0.00 C ATOM 451 CD1 TRP A 33 7.383 -4.838 -6.735 1.00 0.00 C ATOM 452 CD2 TRP A 33 9.482 -4.472 -6.047 1.00 0.00 C ATOM 453 NE1 TRP A 33 7.870 -3.757 -7.429 1.00 0.00 N ATOM 454 CE2 TRP A 33 9.156 -3.512 -7.024 1.00 0.00 C ATOM 455 CE3 TRP A 33 10.753 -4.438 -5.467 1.00 0.00 C ATOM 456 CZ2 TRP A 33 10.055 -2.531 -7.434 1.00 0.00 C ATOM 457 CZ3 TRP A 33 11.645 -3.464 -5.875 1.00 0.00 C ATOM 458 CH2 TRP A 33 11.293 -2.521 -6.850 1.00 0.00 C ATOM 0 H TRP A 33 7.984 -7.443 -2.670 1.00 0.00 H new ATOM 0 HA TRP A 33 6.597 -5.475 -3.925 1.00 0.00 H new ATOM 0 HB2 TRP A 33 9.025 -6.451 -4.226 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.304 -7.400 -5.510 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.393 -5.254 -6.852 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.358 -3.224 -8.131 1.00 0.00 H new ATOM 0 HE3 TRP A 33 11.033 -5.159 -4.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 9.785 -1.804 -8.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 12.631 -3.429 -5.435 1.00 0.00 H new ATOM 0 HH2 TRP A 33 12.012 -1.772 -7.146 1.00 0.00 H new ATOM 469 N GLU A 34 6.033 -8.286 -5.583 1.00 0.00 N ATOM 470 CA GLU A 34 5.066 -8.961 -6.442 1.00 0.00 C ATOM 471 C GLU A 34 3.763 -9.224 -5.691 1.00 0.00 C ATOM 472 O GLU A 34 2.674 -8.974 -6.210 1.00 0.00 O ATOM 473 CB GLU A 34 5.644 -10.279 -6.960 1.00 0.00 C ATOM 474 CG GLU A 34 4.857 -10.875 -8.116 1.00 0.00 C ATOM 475 CD GLU A 34 5.674 -11.859 -8.931 1.00 0.00 C ATOM 476 OE1 GLU A 34 6.259 -12.785 -8.330 1.00 0.00 O ATOM 477 OE2 GLU A 34 5.728 -11.704 -10.168 1.00 0.00 O ATOM 0 H GLU A 34 6.896 -8.807 -5.428 1.00 0.00 H new ATOM 0 HA GLU A 34 4.852 -8.309 -7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.673 -10.115 -7.279 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.674 -10.999 -6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.972 -11.378 -7.727 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.508 -10.072 -8.766 1.00 0.00 H new ATOM 484 N LEU A 35 3.883 -9.730 -4.469 1.00 0.00 N ATOM 485 CA LEU A 35 2.716 -10.028 -3.647 1.00 0.00 C ATOM 486 C LEU A 35 1.849 -8.787 -3.461 1.00 0.00 C ATOM 487 O LEU A 35 0.641 -8.887 -3.246 1.00 0.00 O ATOM 488 CB LEU A 35 3.153 -10.568 -2.283 1.00 0.00 C ATOM 489 CG LEU A 35 2.072 -10.616 -1.203 1.00 0.00 C ATOM 490 CD1 LEU A 35 1.001 -11.633 -1.564 1.00 0.00 C ATOM 491 CD2 LEU A 35 2.685 -10.942 0.151 1.00 0.00 C ATOM 0 H LEU A 35 4.777 -9.943 -4.025 1.00 0.00 H new ATOM 0 HA LEU A 35 2.126 -10.787 -4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.545 -11.576 -2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.976 -9.954 -1.918 1.00 0.00 H new ATOM 0 HG LEU A 35 1.604 -9.633 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.240 -11.653 -0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.541 -11.356 -2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.453 -12.621 -1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.901 -10.972 0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.180 -11.912 0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.414 -10.176 0.414 1.00 0.00 H new ATOM 503 N PHE A 36 2.473 -7.617 -3.548 1.00 0.00 N ATOM 504 CA PHE A 36 1.759 -6.356 -3.391 1.00 0.00 C ATOM 505 C PHE A 36 1.339 -5.796 -4.747 1.00 0.00 C ATOM 506 O PHE A 36 0.298 -5.150 -4.870 1.00 0.00 O ATOM 507 CB PHE A 36 2.633 -5.338 -2.655 1.00 0.00 C ATOM 508 CG PHE A 36 2.461 -5.369 -1.163 1.00 0.00 C ATOM 509 CD1 PHE A 36 2.897 -6.457 -0.424 1.00 0.00 C ATOM 510 CD2 PHE A 36 1.864 -4.309 -0.500 1.00 0.00 C ATOM 511 CE1 PHE A 36 2.739 -6.487 0.948 1.00 0.00 C ATOM 512 CE2 PHE A 36 1.704 -4.334 0.873 1.00 0.00 C ATOM 513 CZ PHE A 36 2.143 -5.424 1.598 1.00 0.00 C ATOM 0 H PHE A 36 3.472 -7.516 -3.726 1.00 0.00 H new ATOM 0 HA PHE A 36 0.862 -6.547 -2.802 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.679 -5.527 -2.896 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.398 -4.338 -3.019 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.365 -7.291 -0.926 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.520 -3.453 -1.062 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.082 -7.342 1.512 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.236 -3.502 1.378 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.021 -5.445 2.671 1.00 0.00 H new ATOM 523 N LEU A 37 2.157 -6.048 -5.763 1.00 0.00 N ATOM 524 CA LEU A 37 1.873 -5.569 -7.112 1.00 0.00 C ATOM 525 C LEU A 37 0.379 -5.643 -7.412 1.00 0.00 C ATOM 526 O LEU A 37 -0.156 -4.818 -8.152 1.00 0.00 O ATOM 527 CB LEU A 37 2.652 -6.390 -8.140 1.00 0.00 C ATOM 528 CG LEU A 37 4.114 -5.992 -8.349 1.00 0.00 C ATOM 529 CD1 LEU A 37 4.819 -7.000 -9.242 1.00 0.00 C ATOM 530 CD2 LEU A 37 4.206 -4.594 -8.942 1.00 0.00 C ATOM 0 H LEU A 37 3.022 -6.581 -5.679 1.00 0.00 H new ATOM 0 HA LEU A 37 2.187 -4.527 -7.175 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.621 -7.437 -7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.137 -6.319 -9.098 1.00 0.00 H new ATOM 0 HG LEU A 37 4.612 -5.987 -7.379 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.858 -6.700 -9.379 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.784 -7.985 -8.777 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.321 -7.038 -10.211 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.253 -4.327 -9.084 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.692 -4.572 -9.903 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.738 -3.880 -8.264 1.00 0.00 H new ATOM 542 N GLN A 38 -0.288 -6.634 -6.830 1.00 0.00 N ATOM 543 CA GLN A 38 -1.721 -6.814 -7.034 1.00 0.00 C ATOM 544 C GLN A 38 -2.483 -5.537 -6.695 1.00 0.00 C ATOM 545 O GLN A 38 -3.303 -5.065 -7.482 1.00 0.00 O ATOM 546 CB GLN A 38 -2.238 -7.972 -6.180 1.00 0.00 C ATOM 547 CG GLN A 38 -1.762 -7.925 -4.737 1.00 0.00 C ATOM 548 CD GLN A 38 -2.177 -9.148 -3.944 1.00 0.00 C ATOM 549 OE1 GLN A 38 -3.055 -9.076 -3.083 1.00 0.00 O ATOM 550 NE2 GLN A 38 -1.549 -10.282 -4.231 1.00 0.00 N ATOM 0 H GLN A 38 0.140 -7.325 -6.214 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.886 -7.046 -8.086 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.328 -7.965 -6.195 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.920 -8.913 -6.628 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.676 -7.837 -4.720 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.162 -7.032 -4.256 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.828 -10.297 -4.952 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.788 -11.138 -3.731 1.00 0.00 H new ATOM 559 N ALA A 39 -2.207 -4.983 -5.519 1.00 0.00 N ATOM 560 CA ALA A 39 -2.866 -3.761 -5.077 1.00 0.00 C ATOM 561 C ALA A 39 -2.490 -2.582 -5.968 1.00 0.00 C ATOM 562 O ALA A 39 -3.349 -1.800 -6.375 1.00 0.00 O ATOM 563 CB ALA A 39 -2.510 -3.464 -3.628 1.00 0.00 C ATOM 0 H ALA A 39 -1.531 -5.362 -4.855 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.943 -3.911 -5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.009 -2.548 -3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.834 -4.291 -2.997 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.431 -3.339 -3.537 1.00 0.00 H new ATOM 569 N GLY A 40 -1.200 -2.459 -6.268 1.00 0.00 N ATOM 570 CA GLY A 40 -0.734 -1.372 -7.108 1.00 0.00 C ATOM 571 C GLY A 40 0.696 -1.570 -7.572 1.00 0.00 C ATOM 572 O GLY A 40 1.357 -2.545 -7.214 1.00 0.00 O ATOM 0 H GLY A 40 -0.470 -3.093 -5.944 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.386 -1.283 -7.977 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.808 -0.434 -6.557 1.00 0.00 H new ATOM 576 N PRO A 41 1.192 -0.630 -8.389 1.00 0.00 N ATOM 577 CA PRO A 41 2.557 -0.684 -8.921 1.00 0.00 C ATOM 578 C PRO A 41 3.609 -0.443 -7.844 1.00 0.00 C ATOM 579 O PRO A 41 4.109 0.671 -7.688 1.00 0.00 O ATOM 580 CB PRO A 41 2.581 0.446 -9.954 1.00 0.00 C ATOM 581 CG PRO A 41 1.531 1.399 -9.497 1.00 0.00 C ATOM 582 CD PRO A 41 0.460 0.559 -8.857 1.00 0.00 C ATOM 0 HA PRO A 41 2.794 -1.664 -9.336 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.559 0.925 -9.995 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.367 0.072 -10.955 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.939 2.118 -8.787 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.131 1.970 -10.335 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.023 1.084 -8.033 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.322 0.295 -9.569 1.00 0.00 H new ATOM 590 N VAL A 42 3.942 -1.494 -7.102 1.00 0.00 N ATOM 591 CA VAL A 42 4.936 -1.397 -6.040 1.00 0.00 C ATOM 592 C VAL A 42 6.234 -0.786 -6.556 1.00 0.00 C ATOM 593 O VAL A 42 6.805 -1.254 -7.541 1.00 0.00 O ATOM 594 CB VAL A 42 5.240 -2.777 -5.427 1.00 0.00 C ATOM 595 CG1 VAL A 42 6.347 -2.669 -4.390 1.00 0.00 C ATOM 596 CG2 VAL A 42 3.982 -3.376 -4.816 1.00 0.00 C ATOM 0 H VAL A 42 3.538 -2.423 -7.217 1.00 0.00 H new ATOM 0 HA VAL A 42 4.514 -0.751 -5.270 1.00 0.00 H new ATOM 0 HB VAL A 42 5.583 -3.441 -6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.548 -3.654 -3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.251 -2.285 -4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.036 -1.990 -3.596 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.214 -4.351 -4.387 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.607 -2.716 -4.034 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.222 -3.491 -5.588 1.00 0.00 H new ATOM 606 N VAL A 43 6.695 0.264 -5.884 1.00 0.00 N ATOM 607 CA VAL A 43 7.927 0.940 -6.274 1.00 0.00 C ATOM 608 C VAL A 43 9.151 0.195 -5.752 1.00 0.00 C ATOM 609 O VAL A 43 10.051 -0.153 -6.515 1.00 0.00 O ATOM 610 CB VAL A 43 7.961 2.389 -5.754 1.00 0.00 C ATOM 611 CG1 VAL A 43 9.055 3.182 -6.453 1.00 0.00 C ATOM 612 CG2 VAL A 43 6.606 3.054 -5.943 1.00 0.00 C ATOM 0 H VAL A 43 6.234 0.665 -5.067 1.00 0.00 H new ATOM 0 HA VAL A 43 7.950 0.953 -7.364 1.00 0.00 H new ATOM 0 HB VAL A 43 8.185 2.369 -4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.064 4.203 -6.073 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.021 2.715 -6.262 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.865 3.196 -7.526 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.648 4.077 -5.570 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.350 3.064 -7.003 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.848 2.498 -5.392 1.00 0.00 H new ATOM 622 N ASN A 44 9.177 -0.045 -4.445 1.00 0.00 N ATOM 623 CA ASN A 44 10.291 -0.749 -3.819 1.00 0.00 C ATOM 624 C ASN A 44 9.873 -1.348 -2.480 1.00 0.00 C ATOM 625 O ASN A 44 8.862 -0.953 -1.899 1.00 0.00 O ATOM 626 CB ASN A 44 11.474 0.201 -3.619 1.00 0.00 C ATOM 627 CG ASN A 44 12.445 -0.298 -2.567 1.00 0.00 C ATOM 628 OD1 ASN A 44 13.349 -1.080 -2.862 1.00 0.00 O ATOM 629 ND2 ASN A 44 12.262 0.152 -1.331 1.00 0.00 N ATOM 0 H ASN A 44 8.440 0.237 -3.799 1.00 0.00 H new ATOM 0 HA ASN A 44 10.593 -1.561 -4.481 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.000 0.326 -4.565 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.102 1.184 -3.329 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.884 -0.150 -0.581 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.499 0.799 -1.132 1.00 0.00 H new ATOM 636 N THR A 45 10.659 -2.304 -1.994 1.00 0.00 N ATOM 637 CA THR A 45 10.371 -2.958 -0.724 1.00 0.00 C ATOM 638 C THR A 45 11.418 -2.606 0.326 1.00 0.00 C ATOM 639 O THR A 45 12.585 -2.380 0.003 1.00 0.00 O ATOM 640 CB THR A 45 10.314 -4.490 -0.882 1.00 0.00 C ATOM 641 OG1 THR A 45 11.567 -4.979 -1.370 1.00 0.00 O ATOM 642 CG2 THR A 45 9.199 -4.894 -1.835 1.00 0.00 C ATOM 0 H THR A 45 11.500 -2.642 -2.461 1.00 0.00 H new ATOM 0 HA THR A 45 9.396 -2.597 -0.396 1.00 0.00 H new ATOM 0 HB THR A 45 10.111 -4.927 0.096 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.416 -5.779 -1.915 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.178 -5.980 -1.931 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.243 -4.546 -1.445 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.376 -4.447 -2.813 1.00 0.00 H new ATOM 650 N HIS A 46 10.995 -2.560 1.585 1.00 0.00 N ATOM 651 CA HIS A 46 11.897 -2.236 2.684 1.00 0.00 C ATOM 652 C HIS A 46 11.720 -3.215 3.840 1.00 0.00 C ATOM 653 O HIS A 46 10.618 -3.383 4.360 1.00 0.00 O ATOM 654 CB HIS A 46 11.652 -0.807 3.169 1.00 0.00 C ATOM 655 CG HIS A 46 12.712 -0.298 4.096 1.00 0.00 C ATOM 656 ND1 HIS A 46 13.176 -1.019 5.177 1.00 0.00 N ATOM 657 CD2 HIS A 46 13.402 0.867 4.099 1.00 0.00 C ATOM 658 CE1 HIS A 46 14.104 -0.318 5.805 1.00 0.00 C ATOM 659 NE2 HIS A 46 14.260 0.830 5.170 1.00 0.00 N ATOM 0 H HIS A 46 10.033 -2.743 1.870 1.00 0.00 H new ATOM 0 HA HIS A 46 12.920 -2.317 2.316 1.00 0.00 H new ATOM 0 HB2 HIS A 46 11.588 -0.145 2.305 1.00 0.00 H new ATOM 0 HB3 HIS A 46 10.688 -0.764 3.675 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.297 1.675 3.390 1.00 0.00 H new ATOM 0 HE1 HIS A 46 14.643 -0.630 6.687 1.00 0.00 H new ATOM 0 HE2 HIS A 46 14.912 1.569 5.433 1.00 0.00 H new ATOM 667 N MET A 47 12.813 -3.860 4.236 1.00 0.00 N ATOM 668 CA MET A 47 12.777 -4.823 5.331 1.00 0.00 C ATOM 669 C MET A 47 14.039 -4.725 6.182 1.00 0.00 C ATOM 670 O MET A 47 15.132 -5.102 5.760 1.00 0.00 O ATOM 671 CB MET A 47 12.626 -6.244 4.784 1.00 0.00 C ATOM 672 CG MET A 47 11.179 -6.677 4.611 1.00 0.00 C ATOM 673 SD MET A 47 10.481 -7.384 6.116 1.00 0.00 S ATOM 674 CE MET A 47 10.862 -9.118 5.884 1.00 0.00 C ATOM 0 H MET A 47 13.734 -3.733 3.815 1.00 0.00 H new ATOM 0 HA MET A 47 11.917 -4.590 5.959 1.00 0.00 H new ATOM 0 HB2 MET A 47 13.134 -6.310 3.822 1.00 0.00 H new ATOM 0 HB3 MET A 47 13.127 -6.939 5.458 1.00 0.00 H new ATOM 0 HG2 MET A 47 10.581 -5.818 4.306 1.00 0.00 H new ATOM 0 HG3 MET A 47 11.117 -7.410 3.807 1.00 0.00 H new ATOM 0 HE1 MET A 47 10.492 -9.689 6.736 1.00 0.00 H new ATOM 0 HE2 MET A 47 10.385 -9.477 4.972 1.00 0.00 H new ATOM 0 HE3 MET A 47 11.941 -9.246 5.803 1.00 0.00 H new ATOM 684 N PRO A 48 13.887 -4.206 7.410 1.00 0.00 N ATOM 685 CA PRO A 48 15.004 -4.047 8.346 1.00 0.00 C ATOM 686 C PRO A 48 15.518 -5.384 8.868 1.00 0.00 C ATOM 687 O PRO A 48 14.744 -6.216 9.343 1.00 0.00 O ATOM 688 CB PRO A 48 14.397 -3.225 9.486 1.00 0.00 C ATOM 689 CG PRO A 48 12.938 -3.521 9.431 1.00 0.00 C ATOM 690 CD PRO A 48 12.613 -3.735 7.979 1.00 0.00 C ATOM 0 HA PRO A 48 15.867 -3.576 7.875 1.00 0.00 H new ATOM 0 HB2 PRO A 48 14.822 -3.509 10.449 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.590 -2.161 9.353 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.697 -4.406 10.019 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.357 -2.696 9.843 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.819 -4.470 7.849 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.276 -2.814 7.503 1.00 0.00 H new ATOM 851 N TYR A 59 8.893 -7.881 10.184 1.00 0.00 N ATOM 852 CA TYR A 59 8.109 -6.747 9.709 1.00 0.00 C ATOM 853 C TYR A 59 8.800 -6.060 8.535 1.00 0.00 C ATOM 854 O TYR A 59 10.026 -5.970 8.487 1.00 0.00 O ATOM 855 CB TYR A 59 7.887 -5.744 10.842 1.00 0.00 C ATOM 856 CG TYR A 59 9.134 -4.980 11.228 1.00 0.00 C ATOM 857 CD1 TYR A 59 10.115 -5.566 12.018 1.00 0.00 C ATOM 858 CD2 TYR A 59 9.331 -3.672 10.801 1.00 0.00 C ATOM 859 CE1 TYR A 59 11.255 -4.872 12.373 1.00 0.00 C ATOM 860 CE2 TYR A 59 10.468 -2.971 11.150 1.00 0.00 C ATOM 861 CZ TYR A 59 11.427 -3.575 11.937 1.00 0.00 C ATOM 862 OH TYR A 59 12.562 -2.880 12.288 1.00 0.00 O ATOM 0 HA TYR A 59 7.143 -7.122 9.370 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.115 -5.035 10.542 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.511 -6.274 11.717 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.984 -6.582 12.360 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.582 -3.196 10.186 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.008 -5.342 12.989 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.606 -1.956 10.809 1.00 0.00 H new ATOM 0 HH TYR A 59 12.529 -1.981 11.899 1.00 0.00 H new ATOM 872 N GLY A 60 8.002 -5.576 7.588 1.00 0.00 N ATOM 873 CA GLY A 60 8.553 -4.903 6.426 1.00 0.00 C ATOM 874 C GLY A 60 7.711 -3.721 5.988 1.00 0.00 C ATOM 875 O GLY A 60 6.868 -3.236 6.743 1.00 0.00 O ATOM 0 H GLY A 60 6.984 -5.638 7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.563 -4.562 6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.633 -5.613 5.603 1.00 0.00 H new ATOM 879 N PHE A 61 7.940 -3.254 4.765 1.00 0.00 N ATOM 880 CA PHE A 61 7.198 -2.120 4.228 1.00 0.00 C ATOM 881 C PHE A 61 7.281 -2.088 2.704 1.00 0.00 C ATOM 882 O PHE A 61 8.336 -2.343 2.123 1.00 0.00 O ATOM 883 CB PHE A 61 7.738 -0.810 4.807 1.00 0.00 C ATOM 884 CG PHE A 61 7.818 -0.806 6.307 1.00 0.00 C ATOM 885 CD1 PHE A 61 8.856 -1.452 6.960 1.00 0.00 C ATOM 886 CD2 PHE A 61 6.856 -0.157 7.063 1.00 0.00 C ATOM 887 CE1 PHE A 61 8.933 -1.450 8.340 1.00 0.00 C ATOM 888 CE2 PHE A 61 6.929 -0.151 8.443 1.00 0.00 C ATOM 889 CZ PHE A 61 7.967 -0.799 9.083 1.00 0.00 C ATOM 0 H PHE A 61 8.634 -3.644 4.127 1.00 0.00 H new ATOM 0 HA PHE A 61 6.153 -2.233 4.515 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.731 -0.623 4.398 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.099 0.012 4.483 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.613 -1.963 6.384 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.040 0.350 6.569 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.747 -1.957 8.837 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.174 0.361 9.021 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.024 -0.797 10.162 1.00 0.00 H new ATOM 899 N VAL A 62 6.161 -1.772 2.063 1.00 0.00 N ATOM 900 CA VAL A 62 6.105 -1.705 0.608 1.00 0.00 C ATOM 901 C VAL A 62 5.644 -0.330 0.138 1.00 0.00 C ATOM 902 O VAL A 62 4.476 0.028 0.285 1.00 0.00 O ATOM 903 CB VAL A 62 5.159 -2.776 0.033 1.00 0.00 C ATOM 904 CG1 VAL A 62 5.098 -2.676 -1.484 1.00 0.00 C ATOM 905 CG2 VAL A 62 5.601 -4.165 0.466 1.00 0.00 C ATOM 0 H VAL A 62 5.279 -1.558 2.529 1.00 0.00 H new ATOM 0 HA VAL A 62 7.116 -1.890 0.244 1.00 0.00 H new ATOM 0 HB VAL A 62 4.158 -2.599 0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.425 -3.440 -1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.731 -1.690 -1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.095 -2.826 -1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.921 -4.909 0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.612 -4.355 0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.587 -4.228 1.554 1.00 0.00 H new ATOM 915 N GLU A 63 6.571 0.436 -0.430 1.00 0.00 N ATOM 916 CA GLU A 63 6.258 1.773 -0.922 1.00 0.00 C ATOM 917 C GLU A 63 5.666 1.712 -2.327 1.00 0.00 C ATOM 918 O GLU A 63 6.328 1.287 -3.274 1.00 0.00 O ATOM 919 CB GLU A 63 7.515 2.646 -0.924 1.00 0.00 C ATOM 920 CG GLU A 63 7.326 3.983 -1.621 1.00 0.00 C ATOM 921 CD GLU A 63 6.858 5.073 -0.677 1.00 0.00 C ATOM 922 OE1 GLU A 63 7.717 5.706 -0.028 1.00 0.00 O ATOM 923 OE2 GLU A 63 5.632 5.292 -0.586 1.00 0.00 O ATOM 0 H GLU A 63 7.543 0.154 -0.561 1.00 0.00 H new ATOM 0 HA GLU A 63 5.518 2.214 -0.254 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.826 2.823 0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.324 2.102 -1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.267 4.285 -2.080 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.600 3.869 -2.426 1.00 0.00 H new ATOM 930 N PHE A 64 4.414 2.138 -2.454 1.00 0.00 N ATOM 931 CA PHE A 64 3.730 2.130 -3.742 1.00 0.00 C ATOM 932 C PHE A 64 4.054 3.391 -4.537 1.00 0.00 C ATOM 933 O PHE A 64 4.590 4.360 -3.996 1.00 0.00 O ATOM 934 CB PHE A 64 2.218 2.015 -3.540 1.00 0.00 C ATOM 935 CG PHE A 64 1.747 0.604 -3.332 1.00 0.00 C ATOM 936 CD1 PHE A 64 1.520 -0.231 -4.414 1.00 0.00 C ATOM 937 CD2 PHE A 64 1.530 0.113 -2.054 1.00 0.00 C ATOM 938 CE1 PHE A 64 1.087 -1.531 -4.226 1.00 0.00 C ATOM 939 CE2 PHE A 64 1.097 -1.185 -1.860 1.00 0.00 C ATOM 940 CZ PHE A 64 0.874 -2.007 -2.947 1.00 0.00 C ATOM 0 H PHE A 64 3.852 2.493 -1.680 1.00 0.00 H new ATOM 0 HA PHE A 64 4.081 1.266 -4.306 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.928 2.617 -2.679 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.710 2.435 -4.408 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.683 0.138 -5.416 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.701 0.752 -1.200 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.916 -2.173 -5.078 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.933 -1.556 -0.859 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.533 -3.021 -2.797 1.00 0.00 H new ATOM 950 N LEU A 65 3.726 3.373 -5.824 1.00 0.00 N ATOM 951 CA LEU A 65 3.981 4.514 -6.695 1.00 0.00 C ATOM 952 C LEU A 65 3.077 5.689 -6.334 1.00 0.00 C ATOM 953 O LEU A 65 3.534 6.826 -6.226 1.00 0.00 O ATOM 954 CB LEU A 65 3.767 4.122 -8.158 1.00 0.00 C ATOM 955 CG LEU A 65 4.176 5.165 -9.199 1.00 0.00 C ATOM 956 CD1 LEU A 65 5.687 5.183 -9.372 1.00 0.00 C ATOM 957 CD2 LEU A 65 3.489 4.889 -10.529 1.00 0.00 C ATOM 0 H LEU A 65 3.283 2.580 -6.288 1.00 0.00 H new ATOM 0 HA LEU A 65 5.017 4.821 -6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.324 3.206 -8.353 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.712 3.890 -8.301 1.00 0.00 H new ATOM 0 HG LEU A 65 3.859 6.146 -8.845 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.959 5.931 -10.117 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.159 5.429 -8.421 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.027 4.202 -9.703 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.792 5.641 -11.258 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.775 3.900 -10.888 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.408 4.928 -10.395 1.00 0.00 H new ATOM 969 N SER A 66 1.792 5.404 -6.146 1.00 0.00 N ATOM 970 CA SER A 66 0.823 6.436 -5.798 1.00 0.00 C ATOM 971 C SER A 66 0.193 6.154 -4.438 1.00 0.00 C ATOM 972 O SER A 66 -0.092 5.005 -4.101 1.00 0.00 O ATOM 973 CB SER A 66 -0.266 6.525 -6.869 1.00 0.00 C ATOM 974 OG SER A 66 0.300 6.631 -8.164 1.00 0.00 O ATOM 0 H SER A 66 1.398 4.467 -6.229 1.00 0.00 H new ATOM 0 HA SER A 66 1.349 7.389 -5.744 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.903 5.642 -6.818 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.902 7.389 -6.675 1.00 0.00 H new ATOM 0 HG SER A 66 -0.416 6.685 -8.831 1.00 0.00 H new ATOM 980 N GLU A 67 -0.020 7.211 -3.660 1.00 0.00 N ATOM 981 CA GLU A 67 -0.615 7.077 -2.336 1.00 0.00 C ATOM 982 C GLU A 67 -1.825 6.147 -2.375 1.00 0.00 C ATOM 983 O GLU A 67 -1.888 5.164 -1.639 1.00 0.00 O ATOM 984 CB GLU A 67 -1.029 8.448 -1.797 1.00 0.00 C ATOM 985 CG GLU A 67 -1.588 8.403 -0.385 1.00 0.00 C ATOM 986 CD GLU A 67 -1.846 9.785 0.184 1.00 0.00 C ATOM 987 OE1 GLU A 67 -1.067 10.710 -0.126 1.00 0.00 O ATOM 988 OE2 GLU A 67 -2.828 9.940 0.940 1.00 0.00 O ATOM 0 H GLU A 67 0.211 8.169 -3.924 1.00 0.00 H new ATOM 0 HA GLU A 67 0.133 6.644 -1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.165 9.112 -1.816 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.778 8.879 -2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.518 7.834 -0.384 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.889 7.872 0.262 1.00 0.00 H new ATOM 995 N GLU A 68 -2.783 6.468 -3.240 1.00 0.00 N ATOM 996 CA GLU A 68 -3.991 5.663 -3.374 1.00 0.00 C ATOM 997 C GLU A 68 -3.655 4.174 -3.379 1.00 0.00 C ATOM 998 O GLU A 68 -4.228 3.395 -2.617 1.00 0.00 O ATOM 999 CB GLU A 68 -4.738 6.033 -4.657 1.00 0.00 C ATOM 1000 CG GLU A 68 -5.111 7.504 -4.741 1.00 0.00 C ATOM 1001 CD GLU A 68 -6.309 7.751 -5.638 1.00 0.00 C ATOM 1002 OE1 GLU A 68 -7.427 7.345 -5.261 1.00 0.00 O ATOM 1003 OE2 GLU A 68 -6.126 8.352 -6.718 1.00 0.00 O ATOM 0 H GLU A 68 -2.745 7.279 -3.857 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.632 5.870 -2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.119 5.774 -5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.645 5.432 -4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.328 7.878 -3.740 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.258 8.071 -5.115 1.00 0.00 H new ATOM 1010 N ASP A 69 -2.724 3.788 -4.244 1.00 0.00 N ATOM 1011 CA ASP A 69 -2.311 2.393 -4.349 1.00 0.00 C ATOM 1012 C ASP A 69 -2.066 1.793 -2.968 1.00 0.00 C ATOM 1013 O ASP A 69 -2.424 0.645 -2.707 1.00 0.00 O ATOM 1014 CB ASP A 69 -1.045 2.277 -5.201 1.00 0.00 C ATOM 1015 CG ASP A 69 -1.203 2.925 -6.563 1.00 0.00 C ATOM 1016 OD1 ASP A 69 -2.328 2.903 -7.103 1.00 0.00 O ATOM 1017 OD2 ASP A 69 -0.200 3.452 -7.089 1.00 0.00 O ATOM 0 H ASP A 69 -2.241 4.420 -4.882 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.116 1.837 -4.829 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.212 2.743 -4.674 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.792 1.225 -5.330 1.00 0.00 H new ATOM 1022 N ALA A 70 -1.452 2.577 -2.088 1.00 0.00 N ATOM 1023 CA ALA A 70 -1.160 2.123 -0.734 1.00 0.00 C ATOM 1024 C ALA A 70 -2.438 1.737 0.003 1.00 0.00 C ATOM 1025 O ALA A 70 -2.542 0.639 0.551 1.00 0.00 O ATOM 1026 CB ALA A 70 -0.411 3.203 0.034 1.00 0.00 C ATOM 0 H ALA A 70 -1.147 3.530 -2.289 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.529 1.237 -0.802 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.199 2.851 1.044 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.526 3.429 -0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.023 4.104 0.085 1.00 0.00 H new ATOM 1032 N ASP A 71 -3.408 2.645 0.012 1.00 0.00 N ATOM 1033 CA ASP A 71 -4.679 2.398 0.682 1.00 0.00 C ATOM 1034 C ASP A 71 -5.346 1.139 0.136 1.00 0.00 C ATOM 1035 O ASP A 71 -5.995 0.399 0.875 1.00 0.00 O ATOM 1036 CB ASP A 71 -5.612 3.599 0.510 1.00 0.00 C ATOM 1037 CG ASP A 71 -7.008 3.328 1.035 1.00 0.00 C ATOM 1038 OD1 ASP A 71 -7.164 3.210 2.268 1.00 0.00 O ATOM 1039 OD2 ASP A 71 -7.943 3.232 0.213 1.00 0.00 O ATOM 0 H ASP A 71 -3.338 3.558 -0.437 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.479 2.251 1.743 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.192 4.459 1.031 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.669 3.863 -0.546 1.00 0.00 H new ATOM 1044 N TYR A 72 -5.181 0.903 -1.160 1.00 0.00 N ATOM 1045 CA TYR A 72 -5.769 -0.265 -1.806 1.00 0.00 C ATOM 1046 C TYR A 72 -5.156 -1.553 -1.265 1.00 0.00 C ATOM 1047 O TYR A 72 -5.836 -2.569 -1.132 1.00 0.00 O ATOM 1048 CB TYR A 72 -5.572 -0.190 -3.321 1.00 0.00 C ATOM 1049 CG TYR A 72 -6.393 -1.201 -4.089 1.00 0.00 C ATOM 1050 CD1 TYR A 72 -5.933 -2.498 -4.280 1.00 0.00 C ATOM 1051 CD2 TYR A 72 -7.628 -0.859 -4.624 1.00 0.00 C ATOM 1052 CE1 TYR A 72 -6.679 -3.425 -4.981 1.00 0.00 C ATOM 1053 CE2 TYR A 72 -8.382 -1.779 -5.326 1.00 0.00 C ATOM 1054 CZ TYR A 72 -7.904 -3.061 -5.502 1.00 0.00 C ATOM 1055 OH TYR A 72 -8.651 -3.980 -6.202 1.00 0.00 O ATOM 0 H TYR A 72 -4.645 1.505 -1.785 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.836 -0.271 -1.585 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.831 0.812 -3.664 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.517 -0.342 -3.550 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.975 -2.786 -3.873 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.005 0.144 -4.489 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.306 -4.429 -5.121 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.341 -1.496 -5.735 1.00 0.00 H new ATOM 0 HH TYR A 72 -9.487 -3.564 -6.500 1.00 0.00 H new ATOM 1065 N ALA A 73 -3.865 -1.501 -0.953 1.00 0.00 N ATOM 1066 CA ALA A 73 -3.159 -2.661 -0.424 1.00 0.00 C ATOM 1067 C ALA A 73 -3.456 -2.855 1.059 1.00 0.00 C ATOM 1068 O ALA A 73 -3.433 -3.978 1.564 1.00 0.00 O ATOM 1069 CB ALA A 73 -1.661 -2.516 -0.649 1.00 0.00 C ATOM 0 H ALA A 73 -3.287 -0.667 -1.058 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.512 -3.544 -0.957 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.147 -3.390 -0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.460 -2.434 -1.717 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.302 -1.620 -0.142 1.00 0.00 H new ATOM 1075 N ILE A 74 -3.735 -1.756 1.750 1.00 0.00 N ATOM 1076 CA ILE A 74 -4.038 -1.806 3.175 1.00 0.00 C ATOM 1077 C ILE A 74 -5.463 -2.290 3.418 1.00 0.00 C ATOM 1078 O ILE A 74 -5.833 -2.628 4.543 1.00 0.00 O ATOM 1079 CB ILE A 74 -3.856 -0.428 3.839 1.00 0.00 C ATOM 1080 CG1 ILE A 74 -2.430 0.082 3.623 1.00 0.00 C ATOM 1081 CG2 ILE A 74 -4.176 -0.509 5.324 1.00 0.00 C ATOM 1082 CD1 ILE A 74 -2.290 1.578 3.799 1.00 0.00 C ATOM 0 H ILE A 74 -3.758 -0.819 1.347 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.336 -2.511 3.621 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.548 0.276 3.376 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.763 -0.422 4.322 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.104 -0.190 2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.043 0.472 5.779 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.208 -0.833 5.457 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.507 -1.224 5.802 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.253 1.869 3.631 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.931 2.090 3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.585 1.854 4.811 1.00 0.00 H new ATOM 1094 N LYS A 75 -6.260 -2.324 2.355 1.00 0.00 N ATOM 1095 CA LYS A 75 -7.645 -2.770 2.450 1.00 0.00 C ATOM 1096 C LYS A 75 -7.760 -4.258 2.133 1.00 0.00 C ATOM 1097 O LYS A 75 -8.653 -4.941 2.635 1.00 0.00 O ATOM 1098 CB LYS A 75 -8.528 -1.964 1.495 1.00 0.00 C ATOM 1099 CG LYS A 75 -8.724 -2.627 0.142 1.00 0.00 C ATOM 1100 CD LYS A 75 -9.303 -1.657 -0.875 1.00 0.00 C ATOM 1101 CE LYS A 75 -10.824 -1.674 -0.858 1.00 0.00 C ATOM 1102 NZ LYS A 75 -11.374 -0.906 0.293 1.00 0.00 N ATOM 0 H LYS A 75 -5.970 -2.048 1.417 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.984 -2.607 3.473 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.502 -1.808 1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.084 -0.979 1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.769 -3.008 -0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.389 -3.484 0.249 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.947 -0.649 -0.662 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.946 -1.917 -1.872 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.202 -1.253 -1.790 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.175 -2.705 -0.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.306 -0.521 0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.471 -1.535 1.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.729 -0.125 0.529 1.00 0.00 H new ATOM 1116 N ILE A 76 -6.852 -4.752 1.299 1.00 0.00 N ATOM 1117 CA ILE A 76 -6.851 -6.159 0.918 1.00 0.00 C ATOM 1118 C ILE A 76 -5.756 -6.927 1.651 1.00 0.00 C ATOM 1119 O ILE A 76 -5.970 -8.050 2.107 1.00 0.00 O ATOM 1120 CB ILE A 76 -6.654 -6.331 -0.600 1.00 0.00 C ATOM 1121 CG1 ILE A 76 -5.269 -5.832 -1.017 1.00 0.00 C ATOM 1122 CG2 ILE A 76 -7.742 -5.589 -1.362 1.00 0.00 C ATOM 1123 CD1 ILE A 76 -5.013 -5.935 -2.504 1.00 0.00 C ATOM 0 H ILE A 76 -6.108 -4.199 0.874 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.824 -6.562 1.198 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.725 -7.391 -0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.158 -4.792 -0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.510 -6.405 -0.485 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.590 -5.720 -2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.718 -5.987 -1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.699 -4.528 -1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.013 -5.564 -2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.092 -6.977 -2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.750 -5.339 -3.042 1.00 0.00 H new ATOM 1135 N MET A 77 -4.583 -6.312 1.762 1.00 0.00 N ATOM 1136 CA MET A 77 -3.455 -6.937 2.443 1.00 0.00 C ATOM 1137 C MET A 77 -3.556 -6.743 3.952 1.00 0.00 C ATOM 1138 O MET A 77 -2.545 -6.716 4.654 1.00 0.00 O ATOM 1139 CB MET A 77 -2.136 -6.355 1.930 1.00 0.00 C ATOM 1140 CG MET A 77 -2.085 -6.205 0.418 1.00 0.00 C ATOM 1141 SD MET A 77 -2.319 -7.771 -0.444 1.00 0.00 S ATOM 1142 CE MET A 77 -0.725 -7.961 -1.239 1.00 0.00 C ATOM 0 H MET A 77 -4.389 -5.382 1.390 1.00 0.00 H new ATOM 0 HA MET A 77 -3.480 -8.005 2.229 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.976 -5.380 2.389 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.316 -6.997 2.251 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.855 -5.502 0.100 1.00 0.00 H new ATOM 0 HG3 MET A 77 -1.124 -5.777 0.131 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.528 -9.019 -1.410 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.729 -7.433 -2.193 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.053 -7.546 -0.598 1.00 0.00 H new ATOM 1152 N ASP A 78 -4.782 -6.609 4.446 1.00 0.00 N ATOM 1153 CA ASP A 78 -5.015 -6.419 5.873 1.00 0.00 C ATOM 1154 C ASP A 78 -5.411 -7.733 6.539 1.00 0.00 C ATOM 1155 O ASP A 78 -6.414 -8.346 6.175 1.00 0.00 O ATOM 1156 CB ASP A 78 -6.106 -5.370 6.098 1.00 0.00 C ATOM 1157 CG ASP A 78 -7.489 -5.983 6.188 1.00 0.00 C ATOM 1158 OD1 ASP A 78 -7.898 -6.669 5.228 1.00 0.00 O ATOM 1159 OD2 ASP A 78 -8.163 -5.777 7.219 1.00 0.00 O ATOM 0 H ASP A 78 -5.630 -6.628 3.879 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.086 -6.069 6.324 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.895 -4.821 7.016 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.085 -4.647 5.282 1.00 0.00 H new ATOM 1164 N MET A 79 -4.616 -8.159 7.514 1.00 0.00 N ATOM 1165 CA MET A 79 -4.884 -9.401 8.231 1.00 0.00 C ATOM 1166 C MET A 79 -4.893 -10.589 7.275 1.00 0.00 C ATOM 1167 O MET A 79 -5.720 -11.493 7.401 1.00 0.00 O ATOM 1168 CB MET A 79 -6.223 -9.312 8.965 1.00 0.00 C ATOM 1169 CG MET A 79 -6.113 -8.723 10.362 1.00 0.00 C ATOM 1170 SD MET A 79 -7.467 -9.231 11.439 1.00 0.00 S ATOM 1171 CE MET A 79 -6.696 -10.572 12.342 1.00 0.00 C ATOM 0 H MET A 79 -3.781 -7.663 7.826 1.00 0.00 H new ATOM 0 HA MET A 79 -4.087 -9.550 8.960 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.911 -8.704 8.377 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.657 -10.309 9.033 1.00 0.00 H new ATOM 0 HG2 MET A 79 -5.166 -9.028 10.807 1.00 0.00 H new ATOM 0 HG3 MET A 79 -6.097 -7.635 10.293 1.00 0.00 H new ATOM 0 HE1 MET A 79 -7.410 -10.991 13.051 1.00 0.00 H new ATOM 0 HE2 MET A 79 -6.380 -11.347 11.643 1.00 0.00 H new ATOM 0 HE3 MET A 79 -5.828 -10.195 12.882 1.00 0.00 H new ATOM 1181 N ILE A 80 -3.968 -10.582 6.320 1.00 0.00 N ATOM 1182 CA ILE A 80 -3.870 -11.660 5.344 1.00 0.00 C ATOM 1183 C ILE A 80 -3.217 -12.895 5.954 1.00 0.00 C ATOM 1184 O ILE A 80 -2.441 -12.796 6.904 1.00 0.00 O ATOM 1185 CB ILE A 80 -3.065 -11.226 4.105 1.00 0.00 C ATOM 1186 CG1 ILE A 80 -3.948 -10.415 3.154 1.00 0.00 C ATOM 1187 CG2 ILE A 80 -2.489 -12.442 3.395 1.00 0.00 C ATOM 1188 CD1 ILE A 80 -3.418 -10.359 1.738 1.00 0.00 C ATOM 0 H ILE A 80 -3.276 -9.842 6.202 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.888 -11.903 5.039 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.238 -10.594 4.430 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.948 -10.848 3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.044 -9.399 3.538 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.923 -12.119 2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.830 -12.982 4.075 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.301 -13.097 3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.094 -9.768 1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.430 -9.899 1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.348 -11.370 1.335 1.00 0.00 H new ATOM 1200 N LYS A 81 -3.535 -14.060 5.400 1.00 0.00 N ATOM 1201 CA LYS A 81 -2.978 -15.317 5.885 1.00 0.00 C ATOM 1202 C LYS A 81 -1.891 -15.829 4.946 1.00 0.00 C ATOM 1203 O LYS A 81 -2.169 -16.580 4.009 1.00 0.00 O ATOM 1204 CB LYS A 81 -4.082 -16.367 6.027 1.00 0.00 C ATOM 1205 CG LYS A 81 -4.741 -16.377 7.395 1.00 0.00 C ATOM 1206 CD LYS A 81 -5.241 -17.763 7.764 1.00 0.00 C ATOM 1207 CE LYS A 81 -5.312 -17.948 9.272 1.00 0.00 C ATOM 1208 NZ LYS A 81 -3.958 -18.072 9.880 1.00 0.00 N ATOM 0 H LYS A 81 -4.177 -14.160 4.613 1.00 0.00 H new ATOM 0 HA LYS A 81 -2.532 -15.134 6.863 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.843 -16.186 5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.662 -17.353 5.829 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.028 -16.035 8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.574 -15.675 7.403 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.228 -17.922 7.330 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.579 -18.516 7.335 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.834 -17.101 9.718 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.896 -18.839 9.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.040 -18.492 10.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.363 -18.680 9.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -3.524 -17.130 9.956 1.00 0.00 H new ATOM 1222 N LEU A 82 -0.653 -15.421 5.202 1.00 0.00 N ATOM 1223 CA LEU A 82 0.476 -15.841 4.380 1.00 0.00 C ATOM 1224 C LEU A 82 1.259 -16.959 5.060 1.00 0.00 C ATOM 1225 O LEU A 82 1.391 -16.984 6.284 1.00 0.00 O ATOM 1226 CB LEU A 82 1.399 -14.653 4.102 1.00 0.00 C ATOM 1227 CG LEU A 82 2.527 -14.899 3.099 1.00 0.00 C ATOM 1228 CD1 LEU A 82 1.960 -15.156 1.711 1.00 0.00 C ATOM 1229 CD2 LEU A 82 3.486 -13.718 3.075 1.00 0.00 C ATOM 0 H LEU A 82 -0.406 -14.800 5.972 1.00 0.00 H new ATOM 0 HA LEU A 82 0.085 -16.219 3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.792 -13.824 3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.842 -14.334 5.046 1.00 0.00 H new ATOM 0 HG LEU A 82 3.080 -15.784 3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.777 -15.329 1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.314 -16.033 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.382 -14.290 1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.282 -13.910 2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.946 -12.817 2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.918 -13.580 4.066 1.00 0.00 H new ATOM 1241 N TYR A 83 1.779 -17.882 4.258 1.00 0.00 N ATOM 1242 CA TYR A 83 2.549 -19.004 4.782 1.00 0.00 C ATOM 1243 C TYR A 83 2.227 -19.246 6.254 1.00 0.00 C ATOM 1244 O TYR A 83 3.118 -19.267 7.101 1.00 0.00 O ATOM 1245 CB TYR A 83 4.047 -18.744 4.613 1.00 0.00 C ATOM 1246 CG TYR A 83 4.423 -18.243 3.237 1.00 0.00 C ATOM 1247 CD1 TYR A 83 4.010 -18.915 2.094 1.00 0.00 C ATOM 1248 CD2 TYR A 83 5.191 -17.095 3.081 1.00 0.00 C ATOM 1249 CE1 TYR A 83 4.352 -18.461 0.835 1.00 0.00 C ATOM 1250 CE2 TYR A 83 5.537 -16.633 1.826 1.00 0.00 C ATOM 1251 CZ TYR A 83 5.115 -17.319 0.706 1.00 0.00 C ATOM 1252 OH TYR A 83 5.457 -16.862 -0.546 1.00 0.00 O ATOM 0 H TYR A 83 1.681 -17.875 3.243 1.00 0.00 H new ATOM 0 HA TYR A 83 2.275 -19.895 4.217 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.367 -18.014 5.356 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.592 -19.666 4.817 1.00 0.00 H new ATOM 0 HD1 TYR A 83 3.411 -19.808 2.191 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.523 -16.555 3.956 1.00 0.00 H new ATOM 0 HE1 TYR A 83 4.024 -18.997 -0.043 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.135 -15.739 1.722 1.00 0.00 H new ATOM 0 HH TYR A 83 4.758 -17.110 -1.187 1.00 0.00 H new ATOM 1262 N GLY A 84 0.943 -19.429 6.549 1.00 0.00 N ATOM 1263 CA GLY A 84 0.524 -19.668 7.918 1.00 0.00 C ATOM 1264 C GLY A 84 0.962 -18.564 8.859 1.00 0.00 C ATOM 1265 O GLY A 84 1.726 -18.802 9.795 1.00 0.00 O ATOM 0 H GLY A 84 0.186 -19.416 5.865 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.562 -19.760 7.952 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.936 -20.618 8.260 1.00 0.00 H new ATOM 1269 N LYS A 85 0.478 -17.351 8.612 1.00 0.00 N ATOM 1270 CA LYS A 85 0.824 -16.205 9.444 1.00 0.00 C ATOM 1271 C LYS A 85 -0.046 -15.000 9.099 1.00 0.00 C ATOM 1272 O LYS A 85 0.041 -14.434 8.009 1.00 0.00 O ATOM 1273 CB LYS A 85 2.302 -15.848 9.269 1.00 0.00 C ATOM 1274 CG LYS A 85 3.219 -16.555 10.252 1.00 0.00 C ATOM 1275 CD LYS A 85 4.476 -15.745 10.522 1.00 0.00 C ATOM 1276 CE LYS A 85 4.286 -14.799 11.698 1.00 0.00 C ATOM 1277 NZ LYS A 85 3.307 -13.720 11.390 1.00 0.00 N ATOM 0 H LYS A 85 -0.155 -17.137 7.842 1.00 0.00 H new ATOM 0 HA LYS A 85 0.643 -16.476 10.484 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.610 -16.098 8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.423 -14.771 9.383 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.688 -16.727 11.188 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.493 -17.533 9.857 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.308 -16.419 10.726 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.740 -15.173 9.632 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.944 -15.363 12.566 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.245 -14.354 11.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.390 -12.963 12.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.503 -13.332 10.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.343 -14.110 11.411 1.00 0.00 H new ATOM 1291 N PRO A 86 -0.903 -14.596 10.048 1.00 0.00 N ATOM 1292 CA PRO A 86 -1.802 -13.453 9.867 1.00 0.00 C ATOM 1293 C PRO A 86 -1.054 -12.125 9.840 1.00 0.00 C ATOM 1294 O PRO A 86 -0.957 -11.435 10.855 1.00 0.00 O ATOM 1295 CB PRO A 86 -2.718 -13.525 11.092 1.00 0.00 C ATOM 1296 CG PRO A 86 -1.916 -14.243 12.122 1.00 0.00 C ATOM 1297 CD PRO A 86 -1.059 -15.223 11.371 1.00 0.00 C ATOM 0 HA PRO A 86 -2.333 -13.499 8.916 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.001 -12.529 11.434 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.641 -14.059 10.866 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.303 -13.547 12.694 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.564 -14.756 12.833 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.097 -15.373 11.861 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.536 -16.201 11.299 1.00 0.00 H new ATOM 1305 N ILE A 87 -0.528 -11.772 8.672 1.00 0.00 N ATOM 1306 CA ILE A 87 0.211 -10.525 8.513 1.00 0.00 C ATOM 1307 C ILE A 87 -0.674 -9.320 8.812 1.00 0.00 C ATOM 1308 O ILE A 87 -1.901 -9.422 8.811 1.00 0.00 O ATOM 1309 CB ILE A 87 0.782 -10.387 7.089 1.00 0.00 C ATOM 1310 CG1 ILE A 87 -0.352 -10.236 6.073 1.00 0.00 C ATOM 1311 CG2 ILE A 87 1.650 -11.589 6.748 1.00 0.00 C ATOM 1312 CD1 ILE A 87 0.107 -9.721 4.727 1.00 0.00 C ATOM 0 H ILE A 87 -0.600 -12.331 7.822 1.00 0.00 H new ATOM 0 HA ILE A 87 1.035 -10.553 9.225 1.00 0.00 H new ATOM 0 HB ILE A 87 1.402 -9.492 7.047 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.838 -11.202 5.937 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.102 -9.556 6.477 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.046 -11.477 5.739 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.475 -11.654 7.457 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.051 -12.498 6.804 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.749 -9.639 4.058 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.567 -8.740 4.850 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.835 -10.412 4.302 1.00 0.00 H new ATOM 1324 N ARG A 88 -0.044 -8.178 9.067 1.00 0.00 N ATOM 1325 CA ARG A 88 -0.774 -6.953 9.368 1.00 0.00 C ATOM 1326 C ARG A 88 -0.303 -5.807 8.477 1.00 0.00 C ATOM 1327 O ARG A 88 0.898 -5.590 8.309 1.00 0.00 O ATOM 1328 CB ARG A 88 -0.596 -6.576 10.840 1.00 0.00 C ATOM 1329 CG ARG A 88 -1.707 -7.091 11.739 1.00 0.00 C ATOM 1330 CD ARG A 88 -1.588 -8.589 11.971 1.00 0.00 C ATOM 1331 NE ARG A 88 -0.704 -8.901 13.091 1.00 0.00 N ATOM 1332 CZ ARG A 88 -1.041 -8.724 14.364 1.00 0.00 C ATOM 1333 NH1 ARG A 88 -2.235 -8.241 14.676 1.00 0.00 N ATOM 1334 NH2 ARG A 88 -0.182 -9.031 15.327 1.00 0.00 N ATOM 0 H ARG A 88 0.971 -8.076 9.071 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.831 -7.132 9.172 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.357 -6.968 11.194 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.545 -5.490 10.925 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.673 -6.570 12.696 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.674 -6.867 11.288 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.577 -9.006 12.163 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.210 -9.067 11.067 1.00 0.00 H new ATOM 0 HE ARG A 88 0.222 -9.275 12.885 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.898 -8.004 13.938 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.491 -8.106 15.654 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.738 -9.403 15.090 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.441 -8.895 16.304 1.00 0.00 H new ATOM 1348 N VAL A 89 -1.256 -5.075 7.909 1.00 0.00 N ATOM 1349 CA VAL A 89 -0.939 -3.951 7.036 1.00 0.00 C ATOM 1350 C VAL A 89 -1.730 -2.709 7.431 1.00 0.00 C ATOM 1351 O VAL A 89 -2.944 -2.768 7.621 1.00 0.00 O ATOM 1352 CB VAL A 89 -1.232 -4.285 5.562 1.00 0.00 C ATOM 1353 CG1 VAL A 89 -1.047 -3.054 4.688 1.00 0.00 C ATOM 1354 CG2 VAL A 89 -0.342 -5.424 5.087 1.00 0.00 C ATOM 0 H VAL A 89 -2.254 -5.240 8.038 1.00 0.00 H new ATOM 0 HA VAL A 89 0.127 -3.752 7.151 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.270 -4.606 5.480 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.259 -3.310 3.650 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.730 -2.270 5.015 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.020 -2.699 4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.562 -5.647 4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.704 -5.133 5.183 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.529 -6.310 5.694 1.00 0.00 H new ATOM 1364 N ASN A 90 -1.032 -1.584 7.552 1.00 0.00 N ATOM 1365 CA ASN A 90 -1.669 -0.326 7.925 1.00 0.00 C ATOM 1366 C ASN A 90 -0.862 0.864 7.415 1.00 0.00 C ATOM 1367 O ASN A 90 0.366 0.813 7.346 1.00 0.00 O ATOM 1368 CB ASN A 90 -1.824 -0.239 9.444 1.00 0.00 C ATOM 1369 CG ASN A 90 -2.150 -1.581 10.070 1.00 0.00 C ATOM 1370 OD1 ASN A 90 -1.258 -2.385 10.342 1.00 0.00 O ATOM 1371 ND2 ASN A 90 -3.434 -1.829 10.303 1.00 0.00 N ATOM 0 H ASN A 90 -0.026 -1.518 7.397 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.656 -0.297 7.464 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.902 0.147 9.879 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.613 0.473 9.686 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.714 -2.715 10.724 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.140 -1.133 10.061 1.00 0.00 H new ATOM 1378 N LYS A 91 -1.561 1.937 7.059 1.00 0.00 N ATOM 1379 CA LYS A 91 -0.912 3.142 6.558 1.00 0.00 C ATOM 1380 C LYS A 91 0.347 3.456 7.360 1.00 0.00 C ATOM 1381 O LYS A 91 0.317 3.494 8.590 1.00 0.00 O ATOM 1382 CB LYS A 91 -1.876 4.329 6.617 1.00 0.00 C ATOM 1383 CG LYS A 91 -2.770 4.448 5.395 1.00 0.00 C ATOM 1384 CD LYS A 91 -1.985 4.889 4.171 1.00 0.00 C ATOM 1385 CE LYS A 91 -1.718 6.386 4.191 1.00 0.00 C ATOM 1386 NZ LYS A 91 -2.945 7.173 3.887 1.00 0.00 N ATOM 0 H LYS A 91 -2.578 1.996 7.109 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.627 2.965 5.521 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.500 4.235 7.506 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.301 5.248 6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.246 3.488 5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.567 5.164 5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.039 4.350 4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.539 4.629 3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.336 6.674 5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.943 6.626 3.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.685 8.161 3.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.418 6.770 3.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.590 7.139 4.702 1.00 0.00 H new ATOM 1400 N ALA A 92 1.451 3.682 6.656 1.00 0.00 N ATOM 1401 CA ALA A 92 2.719 3.997 7.304 1.00 0.00 C ATOM 1402 C ALA A 92 2.623 5.295 8.098 1.00 0.00 C ATOM 1403 O ALA A 92 3.180 5.409 9.189 1.00 0.00 O ATOM 1404 CB ALA A 92 3.831 4.090 6.269 1.00 0.00 C ATOM 0 H ALA A 92 1.493 3.653 5.637 1.00 0.00 H new ATOM 0 HA ALA A 92 2.952 3.192 8.001 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.772 4.326 6.766 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.924 3.137 5.749 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.594 4.874 5.550 1.00 0.00 H new