USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 586 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 21 LYS NZ :NH3+ -153:sc= 0.875 (180deg=-0.303) USER MOD Set 1.2: A 25 ASN : amide:sc= 0.347 K(o=1.2,f=-2.3) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 80:sc= -0.0596 USER MOD Single : A 30 LYS NZ :NH3+ 175:sc= 0.0201 (180deg=0.00711) USER MOD Single : A 40 ASN : amide:sc= -0.0529 K(o=-0.053,f=-2.1!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0668 USER MOD Single : A 49 THR OG1 : rot 44:sc= 0.133 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.0344 K(o=-0.034,f=-0.66) USER MOD Single : A 66 SER OG : rot 180:sc=-0.00557 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.995 USER MOD Single : A 73 ASN : amide:sc= -1.56! K(o=-1.6!,f=-0.011) USER MOD Single : A 76 THR OG1 : rot 81:sc= 1.11 USER MOD Single : A 78 GLN : amide:sc= -1.02 K(o=-1,f=-4.3!) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 87 ASN : amide:sc= -0.434 K(o=-0.43,f=-3.3!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 245 N ARG A 16 2.712 12.666 5.613 1.00 0.00 N ATOM 246 CA ARG A 16 2.347 13.310 4.349 1.00 0.00 C ATOM 247 C ARG A 16 1.321 12.446 3.636 1.00 0.00 C ATOM 248 O ARG A 16 1.578 11.258 3.395 1.00 0.00 O ATOM 249 CB ARG A 16 3.612 13.503 3.473 1.00 0.00 C ATOM 250 CG ARG A 16 3.374 14.210 2.111 1.00 0.00 C ATOM 251 CD ARG A 16 4.675 14.385 1.307 1.00 0.00 C ATOM 252 NE ARG A 16 4.468 15.049 0.004 1.00 0.00 N ATOM 253 CZ ARG A 16 4.794 14.532 -1.195 1.00 0.00 C ATOM 254 NH1 ARG A 16 5.336 13.323 -1.290 1.00 0.00 N ATOM 255 NH2 ARG A 16 4.581 15.235 -2.296 1.00 0.00 N ATOM 0 HA ARG A 16 1.914 14.292 4.539 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.342 14.080 4.040 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.055 12.525 3.284 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.662 13.631 1.523 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.923 15.187 2.285 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.383 14.968 1.896 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.127 13.407 1.142 1.00 0.00 H new ATOM 0 HE ARG A 16 4.043 15.976 0.014 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.510 12.774 -0.448 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.578 12.943 -2.205 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.171 16.167 -2.235 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.827 14.845 -3.206 1.00 0.00 H new ATOM 269 N GLU A 17 0.153 13.035 3.326 1.00 0.00 N ATOM 270 CA GLU A 17 -0.858 12.374 2.507 1.00 0.00 C ATOM 271 C GLU A 17 -0.366 12.478 1.055 1.00 0.00 C ATOM 272 O GLU A 17 -0.367 13.566 0.466 1.00 0.00 O ATOM 273 CB GLU A 17 -2.246 13.067 2.704 1.00 0.00 C ATOM 274 CG GLU A 17 -3.493 12.270 2.218 1.00 0.00 C ATOM 275 CD GLU A 17 -3.703 12.219 0.689 1.00 0.00 C ATOM 276 OE1 GLU A 17 -3.588 13.278 0.026 1.00 0.00 O ATOM 277 OE2 GLU A 17 -4.031 11.136 0.149 1.00 0.00 O ATOM 0 H GLU A 17 -0.108 13.971 3.635 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.994 11.329 2.786 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.372 13.285 3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.227 14.024 2.182 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.415 11.248 2.590 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.381 12.708 2.673 1.00 0.00 H new ATOM 284 N ILE A 18 0.087 11.348 0.510 1.00 0.00 N ATOM 285 CA ILE A 18 0.651 11.264 -0.844 1.00 0.00 C ATOM 286 C ILE A 18 -0.444 10.830 -1.820 1.00 0.00 C ATOM 287 O ILE A 18 -1.540 10.424 -1.404 1.00 0.00 O ATOM 288 CB ILE A 18 1.853 10.235 -0.901 1.00 0.00 C ATOM 289 CG1 ILE A 18 1.385 8.803 -0.455 1.00 0.00 C ATOM 290 CG2 ILE A 18 3.055 10.728 -0.044 1.00 0.00 C ATOM 291 CD1 ILE A 18 2.432 7.720 -0.601 1.00 0.00 C ATOM 0 H ILE A 18 0.074 10.453 1.000 1.00 0.00 H new ATOM 0 HA ILE A 18 1.033 12.247 -1.122 1.00 0.00 H new ATOM 0 HB ILE A 18 2.191 10.169 -1.935 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.071 8.847 0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.509 8.523 -1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.865 10.001 -0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.402 11.689 -0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.741 10.839 0.994 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.019 6.767 -0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.731 7.641 -1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.301 7.970 0.007 1.00 0.00 H new ATOM 303 N THR A 19 -0.136 10.905 -3.115 1.00 0.00 N ATOM 304 CA THR A 19 -1.015 10.386 -4.162 1.00 0.00 C ATOM 305 C THR A 19 -0.720 8.886 -4.347 1.00 0.00 C ATOM 306 O THR A 19 0.414 8.438 -4.089 1.00 0.00 O ATOM 307 CB THR A 19 -0.853 11.175 -5.515 1.00 0.00 C ATOM 308 OG1 THR A 19 -1.772 10.665 -6.491 1.00 0.00 O ATOM 309 CG2 THR A 19 0.573 11.126 -6.096 1.00 0.00 C ATOM 0 H THR A 19 0.725 11.325 -3.466 1.00 0.00 H new ATOM 0 HA THR A 19 -2.052 10.523 -3.857 1.00 0.00 H new ATOM 0 HB THR A 19 -1.067 12.218 -5.282 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.667 11.161 -7.330 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.606 11.691 -7.027 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.272 11.562 -5.382 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.851 10.090 -6.290 1.00 0.00 H new ATOM 317 N TRP A 20 -1.759 8.124 -4.748 1.00 0.00 N ATOM 318 CA TRP A 20 -1.665 6.676 -5.014 1.00 0.00 C ATOM 319 C TRP A 20 -0.512 6.362 -5.988 1.00 0.00 C ATOM 320 O TRP A 20 0.242 5.427 -5.749 1.00 0.00 O ATOM 321 CB TRP A 20 -3.021 6.132 -5.552 1.00 0.00 C ATOM 322 CG TRP A 20 -3.010 4.669 -5.985 1.00 0.00 C ATOM 323 CD1 TRP A 20 -2.915 4.192 -7.269 1.00 0.00 C ATOM 324 CD2 TRP A 20 -3.087 3.501 -5.142 1.00 0.00 C ATOM 325 NE1 TRP A 20 -2.957 2.823 -7.270 1.00 0.00 N ATOM 326 CE2 TRP A 20 -3.064 2.374 -5.986 1.00 0.00 C ATOM 327 CE3 TRP A 20 -3.192 3.297 -3.764 1.00 0.00 C ATOM 328 CZ2 TRP A 20 -3.129 1.070 -5.499 1.00 0.00 C ATOM 329 CZ3 TRP A 20 -3.251 2.000 -3.282 1.00 0.00 C ATOM 330 CH2 TRP A 20 -3.229 0.902 -4.147 1.00 0.00 C ATOM 0 H TRP A 20 -2.695 8.502 -4.897 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.445 6.171 -4.074 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.778 6.259 -4.778 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.328 6.743 -6.401 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -2.821 4.808 -8.151 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.915 2.232 -8.100 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -3.227 4.137 -3.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -3.101 0.222 -6.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.315 1.834 -2.217 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.292 -0.096 -3.739 1.00 0.00 H new ATOM 341 N LYS A 21 -0.368 7.181 -7.058 1.00 0.00 N ATOM 342 CA LYS A 21 0.676 6.981 -8.079 1.00 0.00 C ATOM 343 C LYS A 21 2.094 7.075 -7.473 1.00 0.00 C ATOM 344 O LYS A 21 2.996 6.332 -7.881 1.00 0.00 O ATOM 345 CB LYS A 21 0.529 7.978 -9.262 1.00 0.00 C ATOM 346 CG LYS A 21 1.586 7.763 -10.372 1.00 0.00 C ATOM 347 CD LYS A 21 1.407 8.688 -11.588 1.00 0.00 C ATOM 348 CE LYS A 21 2.566 8.580 -12.595 1.00 0.00 C ATOM 349 NZ LYS A 21 3.873 8.933 -11.980 1.00 0.00 N ATOM 0 H LYS A 21 -0.967 7.988 -7.232 1.00 0.00 H new ATOM 0 HA LYS A 21 0.538 5.972 -8.469 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.467 7.877 -9.693 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.611 8.997 -8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.579 7.921 -9.951 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.542 6.726 -10.706 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.471 8.443 -12.090 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.324 9.719 -11.245 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.612 7.564 -12.987 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.374 9.239 -13.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.517 9.291 -12.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.730 9.667 -11.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.288 8.088 -11.538 1.00 0.00 H new ATOM 363 N ASP A 22 2.282 7.977 -6.484 1.00 0.00 N ATOM 364 CA ASP A 22 3.568 8.145 -5.786 1.00 0.00 C ATOM 365 C ASP A 22 3.829 6.923 -4.900 1.00 0.00 C ATOM 366 O ASP A 22 4.945 6.411 -4.849 1.00 0.00 O ATOM 367 CB ASP A 22 3.572 9.446 -4.941 1.00 0.00 C ATOM 368 CG ASP A 22 4.899 9.662 -4.193 1.00 0.00 C ATOM 369 OD1 ASP A 22 5.904 10.038 -4.848 1.00 0.00 O ATOM 370 OD2 ASP A 22 4.955 9.447 -2.962 1.00 0.00 O ATOM 0 H ASP A 22 1.549 8.604 -6.152 1.00 0.00 H new ATOM 0 HA ASP A 22 4.365 8.228 -6.525 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.384 10.299 -5.593 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.755 9.409 -4.220 1.00 0.00 H new ATOM 375 N PHE A 23 2.760 6.442 -4.232 1.00 0.00 N ATOM 376 CA PHE A 23 2.816 5.217 -3.421 1.00 0.00 C ATOM 377 C PHE A 23 3.306 4.024 -4.269 1.00 0.00 C ATOM 378 O PHE A 23 4.119 3.223 -3.807 1.00 0.00 O ATOM 379 CB PHE A 23 1.435 4.900 -2.775 1.00 0.00 C ATOM 380 CG PHE A 23 1.382 3.515 -2.144 1.00 0.00 C ATOM 381 CD1 PHE A 23 2.198 3.196 -1.054 1.00 0.00 C ATOM 382 CD2 PHE A 23 0.557 2.514 -2.672 1.00 0.00 C ATOM 383 CE1 PHE A 23 2.199 1.926 -0.526 1.00 0.00 C ATOM 384 CE2 PHE A 23 0.556 1.247 -2.130 1.00 0.00 C ATOM 385 CZ PHE A 23 1.375 0.957 -1.060 1.00 0.00 C ATOM 0 H PHE A 23 1.844 6.890 -4.242 1.00 0.00 H new ATOM 0 HA PHE A 23 3.530 5.385 -2.615 1.00 0.00 H new ATOM 0 HB2 PHE A 23 1.214 5.649 -2.015 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.657 4.978 -3.535 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.834 3.955 -0.622 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.084 2.737 -3.512 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.845 1.687 0.306 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.085 0.483 -2.543 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.372 -0.036 -0.636 1.00 0.00 H new ATOM 395 N VAL A 24 2.799 3.930 -5.505 1.00 0.00 N ATOM 396 CA VAL A 24 3.147 2.859 -6.439 1.00 0.00 C ATOM 397 C VAL A 24 4.615 2.971 -6.885 1.00 0.00 C ATOM 398 O VAL A 24 5.443 2.152 -6.494 1.00 0.00 O ATOM 399 CB VAL A 24 2.183 2.883 -7.682 1.00 0.00 C ATOM 400 CG1 VAL A 24 2.538 1.787 -8.714 1.00 0.00 C ATOM 401 CG2 VAL A 24 0.714 2.754 -7.218 1.00 0.00 C ATOM 0 H VAL A 24 2.131 4.601 -5.885 1.00 0.00 H new ATOM 0 HA VAL A 24 3.026 1.905 -5.925 1.00 0.00 H new ATOM 0 HB VAL A 24 2.311 3.842 -8.184 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.846 1.841 -9.555 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.556 1.940 -9.071 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.462 0.806 -8.244 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.055 2.772 -8.086 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.583 1.814 -6.682 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.467 3.585 -6.558 1.00 0.00 H new ATOM 411 N ASN A 25 4.930 4.046 -7.626 1.00 0.00 N ATOM 412 CA ASN A 25 6.201 4.155 -8.371 1.00 0.00 C ATOM 413 C ASN A 25 7.399 4.352 -7.425 1.00 0.00 C ATOM 414 O ASN A 25 8.436 3.680 -7.563 1.00 0.00 O ATOM 415 CB ASN A 25 6.146 5.316 -9.409 1.00 0.00 C ATOM 416 CG ASN A 25 4.929 5.301 -10.357 1.00 0.00 C ATOM 417 OD1 ASN A 25 4.545 6.342 -10.902 1.00 0.00 O ATOM 418 ND2 ASN A 25 4.286 4.156 -10.564 1.00 0.00 N ATOM 0 H ASN A 25 4.320 4.857 -7.727 1.00 0.00 H new ATOM 0 HA ASN A 25 6.339 3.214 -8.904 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.153 6.263 -8.870 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.054 5.285 -10.011 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.470 4.133 -11.176 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.608 3.301 -10.111 1.00 0.00 H new ATOM 425 N ASN A 26 7.222 5.246 -6.442 1.00 0.00 N ATOM 426 CA ASN A 26 8.298 5.710 -5.550 1.00 0.00 C ATOM 427 C ASN A 26 8.582 4.698 -4.421 1.00 0.00 C ATOM 428 O ASN A 26 9.714 4.612 -3.943 1.00 0.00 O ATOM 429 CB ASN A 26 7.877 7.090 -4.961 1.00 0.00 C ATOM 430 CG ASN A 26 8.956 7.853 -4.188 1.00 0.00 C ATOM 431 OD1 ASN A 26 10.158 7.672 -4.394 1.00 0.00 O ATOM 432 ND2 ASN A 26 8.522 8.760 -3.336 1.00 0.00 N ATOM 0 H ASN A 26 6.318 5.673 -6.240 1.00 0.00 H new ATOM 0 HA ASN A 26 9.222 5.807 -6.120 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.532 7.721 -5.780 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.026 6.934 -4.298 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.188 9.338 -2.823 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.520 8.884 -3.189 1.00 0.00 H new ATOM 439 N TYR A 27 7.555 3.923 -3.999 1.00 0.00 N ATOM 440 CA TYR A 27 7.644 3.088 -2.774 1.00 0.00 C ATOM 441 C TYR A 27 7.440 1.588 -3.055 1.00 0.00 C ATOM 442 O TYR A 27 8.372 0.785 -2.880 1.00 0.00 O ATOM 443 CB TYR A 27 6.620 3.594 -1.719 1.00 0.00 C ATOM 444 CG TYR A 27 6.854 5.049 -1.268 1.00 0.00 C ATOM 445 CD1 TYR A 27 8.141 5.498 -0.946 1.00 0.00 C ATOM 446 CD2 TYR A 27 5.808 5.965 -1.165 1.00 0.00 C ATOM 447 CE1 TYR A 27 8.365 6.791 -0.533 1.00 0.00 C ATOM 448 CE2 TYR A 27 6.036 7.263 -0.749 1.00 0.00 C ATOM 449 CZ TYR A 27 7.312 7.670 -0.437 1.00 0.00 C ATOM 450 OH TYR A 27 7.542 8.962 -0.013 1.00 0.00 O ATOM 0 H TYR A 27 6.660 3.858 -4.484 1.00 0.00 H new ATOM 0 HA TYR A 27 8.656 3.191 -2.383 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.615 3.510 -2.133 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.661 2.943 -0.846 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.974 4.815 -1.023 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.804 5.655 -1.414 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.365 7.115 -0.285 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.213 7.957 -0.669 1.00 0.00 H new ATOM 0 HH TYR A 27 6.697 9.457 -0.000 1.00 0.00 H new ATOM 460 N LEU A 28 6.212 1.233 -3.478 1.00 0.00 N ATOM 461 CA LEU A 28 5.771 -0.169 -3.654 1.00 0.00 C ATOM 462 C LEU A 28 6.642 -0.911 -4.691 1.00 0.00 C ATOM 463 O LEU A 28 7.069 -2.048 -4.457 1.00 0.00 O ATOM 464 CB LEU A 28 4.270 -0.190 -4.064 1.00 0.00 C ATOM 465 CG LEU A 28 3.602 -1.599 -4.216 1.00 0.00 C ATOM 466 CD1 LEU A 28 3.618 -2.389 -2.891 1.00 0.00 C ATOM 467 CD2 LEU A 28 2.168 -1.466 -4.760 1.00 0.00 C ATOM 0 H LEU A 28 5.490 1.915 -3.710 1.00 0.00 H new ATOM 0 HA LEU A 28 5.890 -0.695 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.707 0.375 -3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.169 0.339 -5.012 1.00 0.00 H new ATOM 0 HG LEU A 28 4.193 -2.165 -4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.145 -3.360 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.648 -2.533 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.072 -1.833 -2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.723 -2.456 -4.858 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.572 -0.866 -4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.193 -0.981 -5.736 1.00 0.00 H new ATOM 479 N SER A 29 6.917 -0.235 -5.820 1.00 0.00 N ATOM 480 CA SER A 29 7.740 -0.757 -6.919 1.00 0.00 C ATOM 481 C SER A 29 9.249 -0.796 -6.561 1.00 0.00 C ATOM 482 O SER A 29 10.035 -1.463 -7.243 1.00 0.00 O ATOM 483 CB SER A 29 7.503 0.112 -8.175 1.00 0.00 C ATOM 484 OG SER A 29 6.129 0.139 -8.522 1.00 0.00 O ATOM 0 H SER A 29 6.566 0.707 -5.995 1.00 0.00 H new ATOM 0 HA SER A 29 7.441 -1.787 -7.111 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.855 1.127 -7.991 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.085 -0.281 -9.009 1.00 0.00 H new ATOM 0 HG SER A 29 5.659 0.777 -7.946 1.00 0.00 H new ATOM 490 N LYS A 30 9.655 -0.071 -5.497 1.00 0.00 N ATOM 491 CA LYS A 30 11.047 -0.081 -4.995 1.00 0.00 C ATOM 492 C LYS A 30 11.206 -1.077 -3.829 1.00 0.00 C ATOM 493 O LYS A 30 12.322 -1.274 -3.331 1.00 0.00 O ATOM 494 CB LYS A 30 11.467 1.348 -4.548 1.00 0.00 C ATOM 495 CG LYS A 30 11.424 2.410 -5.669 1.00 0.00 C ATOM 496 CD LYS A 30 12.336 2.066 -6.872 1.00 0.00 C ATOM 497 CE LYS A 30 12.445 3.217 -7.887 1.00 0.00 C ATOM 498 NZ LYS A 30 11.114 3.676 -8.360 1.00 0.00 N ATOM 0 H LYS A 30 9.031 0.535 -4.964 1.00 0.00 H new ATOM 0 HA LYS A 30 11.700 -0.403 -5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.813 1.668 -3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.478 1.306 -4.144 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.397 2.518 -6.019 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.724 3.374 -5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.332 1.814 -6.507 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.948 1.180 -7.375 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.974 4.053 -7.430 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.040 2.891 -8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.232 4.506 -8.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.653 2.912 -8.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.524 3.932 -7.542 1.00 0.00 H new ATOM 512 N GLY A 31 10.074 -1.699 -3.412 1.00 0.00 N ATOM 513 CA GLY A 31 10.049 -2.696 -2.340 1.00 0.00 C ATOM 514 C GLY A 31 10.559 -2.197 -0.990 1.00 0.00 C ATOM 515 O GLY A 31 11.213 -2.948 -0.259 1.00 0.00 O ATOM 0 H GLY A 31 9.157 -1.515 -3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.026 -3.052 -2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.650 -3.553 -2.645 1.00 0.00 H new ATOM 519 N VAL A 32 10.250 -0.929 -0.657 1.00 0.00 N ATOM 520 CA VAL A 32 10.713 -0.289 0.604 1.00 0.00 C ATOM 521 C VAL A 32 9.630 -0.305 1.702 1.00 0.00 C ATOM 522 O VAL A 32 9.869 0.161 2.814 1.00 0.00 O ATOM 523 CB VAL A 32 11.203 1.191 0.357 1.00 0.00 C ATOM 524 CG1 VAL A 32 12.413 1.220 -0.598 1.00 0.00 C ATOM 525 CG2 VAL A 32 10.066 2.097 -0.167 1.00 0.00 C ATOM 0 H VAL A 32 9.679 -0.319 -1.243 1.00 0.00 H new ATOM 0 HA VAL A 32 11.556 -0.885 0.954 1.00 0.00 H new ATOM 0 HB VAL A 32 11.517 1.591 1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.731 2.251 -0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.233 0.648 -0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.132 0.781 -1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.447 3.106 -0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.691 1.701 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.257 2.124 0.563 1.00 0.00 H new ATOM 535 N VAL A 33 8.462 -0.889 1.389 1.00 0.00 N ATOM 536 CA VAL A 33 7.282 -0.877 2.276 1.00 0.00 C ATOM 537 C VAL A 33 7.182 -2.208 3.051 1.00 0.00 C ATOM 538 O VAL A 33 7.168 -3.287 2.445 1.00 0.00 O ATOM 539 CB VAL A 33 5.963 -0.629 1.453 1.00 0.00 C ATOM 540 CG1 VAL A 33 4.735 -0.489 2.381 1.00 0.00 C ATOM 541 CG2 VAL A 33 6.111 0.601 0.524 1.00 0.00 C ATOM 0 H VAL A 33 8.307 -1.385 0.511 1.00 0.00 H new ATOM 0 HA VAL A 33 7.400 -0.060 2.988 1.00 0.00 H new ATOM 0 HB VAL A 33 5.796 -1.503 0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.842 -0.319 1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.612 -1.403 2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.884 0.353 3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.186 0.750 -0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.320 1.487 1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.931 0.433 -0.174 1.00 0.00 H new ATOM 551 N ASP A 34 7.087 -2.112 4.387 1.00 0.00 N ATOM 552 CA ASP A 34 7.055 -3.268 5.305 1.00 0.00 C ATOM 553 C ASP A 34 5.620 -3.807 5.452 1.00 0.00 C ATOM 554 O ASP A 34 5.390 -5.015 5.369 1.00 0.00 O ATOM 555 CB ASP A 34 7.614 -2.841 6.692 1.00 0.00 C ATOM 556 CG ASP A 34 7.537 -3.945 7.764 1.00 0.00 C ATOM 557 OD1 ASP A 34 8.154 -5.022 7.580 1.00 0.00 O ATOM 558 OD2 ASP A 34 6.852 -3.759 8.792 1.00 0.00 O ATOM 0 H ASP A 34 7.029 -1.215 4.870 1.00 0.00 H new ATOM 0 HA ASP A 34 7.675 -4.064 4.893 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.653 -2.534 6.575 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.062 -1.969 7.042 1.00 0.00 H new ATOM 563 N ARG A 35 4.661 -2.890 5.677 1.00 0.00 N ATOM 564 CA ARG A 35 3.234 -3.244 5.840 1.00 0.00 C ATOM 565 C ARG A 35 2.350 -2.035 5.515 1.00 0.00 C ATOM 566 O ARG A 35 2.821 -0.886 5.519 1.00 0.00 O ATOM 567 CB ARG A 35 2.943 -3.769 7.277 1.00 0.00 C ATOM 568 CG ARG A 35 2.909 -2.683 8.376 1.00 0.00 C ATOM 569 CD ARG A 35 2.898 -3.265 9.790 1.00 0.00 C ATOM 570 NE ARG A 35 4.170 -3.930 10.098 1.00 0.00 N ATOM 571 CZ ARG A 35 4.626 -4.204 11.324 1.00 0.00 C ATOM 572 NH1 ARG A 35 3.939 -3.875 12.407 1.00 0.00 N ATOM 573 NH2 ARG A 35 5.797 -4.790 11.454 1.00 0.00 N ATOM 0 H ARG A 35 4.848 -1.890 5.751 1.00 0.00 H new ATOM 0 HA ARG A 35 3.000 -4.048 5.142 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.984 -4.288 7.271 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.702 -4.506 7.539 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.776 -2.033 8.263 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.024 -2.061 8.238 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.716 -2.470 10.513 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.079 -3.977 9.887 1.00 0.00 H new ATOM 0 HE ARG A 35 4.755 -4.206 9.310 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.040 -3.401 12.316 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.309 -4.095 13.332 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.343 -5.028 10.626 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.159 -5.006 12.383 1.00 0.00 H new ATOM 587 N LEU A 36 1.076 -2.314 5.225 1.00 0.00 N ATOM 588 CA LEU A 36 0.059 -1.292 4.957 1.00 0.00 C ATOM 589 C LEU A 36 -1.040 -1.385 6.012 1.00 0.00 C ATOM 590 O LEU A 36 -1.894 -2.272 5.965 1.00 0.00 O ATOM 591 CB LEU A 36 -0.510 -1.493 3.529 1.00 0.00 C ATOM 592 CG LEU A 36 0.499 -1.196 2.384 1.00 0.00 C ATOM 593 CD1 LEU A 36 -0.098 -1.532 1.011 1.00 0.00 C ATOM 594 CD2 LEU A 36 0.997 0.267 2.456 1.00 0.00 C ATOM 0 H LEU A 36 0.717 -3.267 5.169 1.00 0.00 H new ATOM 0 HA LEU A 36 0.500 -0.297 5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.858 -2.521 3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.381 -0.849 3.405 1.00 0.00 H new ATOM 0 HG LEU A 36 1.365 -1.844 2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.633 -1.313 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.358 -2.590 0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.993 -0.932 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.702 0.452 1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.149 0.945 2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.492 0.436 3.412 1.00 0.00 H new ATOM 606 N GLU A 37 -0.999 -0.450 6.961 1.00 0.00 N ATOM 607 CA GLU A 37 -1.927 -0.402 8.089 1.00 0.00 C ATOM 608 C GLU A 37 -3.160 0.414 7.704 1.00 0.00 C ATOM 609 O GLU A 37 -3.073 1.630 7.536 1.00 0.00 O ATOM 610 CB GLU A 37 -1.231 0.247 9.303 1.00 0.00 C ATOM 611 CG GLU A 37 0.047 -0.486 9.754 1.00 0.00 C ATOM 612 CD GLU A 37 0.870 0.351 10.719 1.00 0.00 C ATOM 613 OE1 GLU A 37 1.477 1.329 10.263 1.00 0.00 O ATOM 614 OE2 GLU A 37 0.892 0.076 11.938 1.00 0.00 O ATOM 0 H GLU A 37 -0.312 0.304 6.967 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.234 -1.415 8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.979 1.278 9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.932 0.281 10.137 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.224 -1.428 10.231 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.651 -0.733 8.881 1.00 0.00 H new ATOM 621 N VAL A 38 -4.304 -0.246 7.589 1.00 0.00 N ATOM 622 CA VAL A 38 -5.562 0.435 7.275 1.00 0.00 C ATOM 623 C VAL A 38 -6.114 0.949 8.609 1.00 0.00 C ATOM 624 O VAL A 38 -6.631 0.167 9.404 1.00 0.00 O ATOM 625 CB VAL A 38 -6.577 -0.532 6.558 1.00 0.00 C ATOM 626 CG1 VAL A 38 -7.847 0.214 6.087 1.00 0.00 C ATOM 627 CG2 VAL A 38 -5.890 -1.269 5.382 1.00 0.00 C ATOM 0 H VAL A 38 -4.392 -1.255 7.708 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.401 1.258 6.579 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.897 -1.276 7.288 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.521 -0.489 5.598 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.348 0.658 6.947 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.568 0.999 5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.608 -1.932 4.899 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.526 -0.540 4.658 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.052 -1.854 5.760 1.00 0.00 H new ATOM 637 N VAL A 39 -5.911 2.250 8.898 1.00 0.00 N ATOM 638 CA VAL A 39 -6.223 2.836 10.217 1.00 0.00 C ATOM 639 C VAL A 39 -7.662 3.383 10.224 1.00 0.00 C ATOM 640 O VAL A 39 -7.976 4.329 9.478 1.00 0.00 O ATOM 641 CB VAL A 39 -5.197 3.973 10.591 1.00 0.00 C ATOM 642 CG1 VAL A 39 -5.534 4.633 11.957 1.00 0.00 C ATOM 643 CG2 VAL A 39 -3.740 3.437 10.568 1.00 0.00 C ATOM 0 H VAL A 39 -5.529 2.919 8.230 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.139 2.051 10.969 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.283 4.750 9.832 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.802 5.411 12.176 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.530 5.074 11.912 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.507 3.878 12.743 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.052 4.241 10.830 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.640 2.625 11.288 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.504 3.068 9.570 1.00 0.00 H new ATOM 653 N ASN A 40 -8.521 2.745 11.061 1.00 0.00 N ATOM 654 CA ASN A 40 -9.966 3.066 11.223 1.00 0.00 C ATOM 655 C ASN A 40 -10.729 3.094 9.881 1.00 0.00 C ATOM 656 O ASN A 40 -11.756 3.781 9.757 1.00 0.00 O ATOM 657 CB ASN A 40 -10.156 4.396 12.015 1.00 0.00 C ATOM 658 CG ASN A 40 -9.663 4.335 13.468 1.00 0.00 C ATOM 659 OD1 ASN A 40 -8.742 3.604 13.797 1.00 0.00 O ATOM 660 ND2 ASN A 40 -10.264 5.111 14.358 1.00 0.00 N ATOM 0 H ASN A 40 -8.222 1.974 11.657 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.404 2.255 11.805 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.626 5.195 11.496 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.213 4.661 12.012 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.958 5.102 15.331 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.032 5.717 14.070 1.00 0.00 H new ATOM 667 N LYS A 41 -10.211 2.309 8.899 1.00 0.00 N ATOM 668 CA LYS A 41 -10.750 2.173 7.515 1.00 0.00 C ATOM 669 C LYS A 41 -10.749 3.486 6.700 1.00 0.00 C ATOM 670 O LYS A 41 -11.111 3.476 5.520 1.00 0.00 O ATOM 671 CB LYS A 41 -12.167 1.535 7.545 1.00 0.00 C ATOM 672 CG LYS A 41 -12.197 0.101 8.136 1.00 0.00 C ATOM 673 CD LYS A 41 -13.618 -0.502 8.210 1.00 0.00 C ATOM 674 CE LYS A 41 -13.626 -1.932 8.773 1.00 0.00 C ATOM 675 NZ LYS A 41 -15.007 -2.470 8.903 1.00 0.00 N ATOM 0 H LYS A 41 -9.382 1.735 9.051 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.063 1.510 6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.830 2.173 8.130 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.564 1.508 6.530 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.566 -0.548 7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.765 0.119 9.137 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.246 0.134 8.834 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.059 -0.506 7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.043 -2.582 8.121 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.140 -1.941 9.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.969 -3.436 9.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.556 -1.864 9.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.463 -2.486 7.968 1.00 0.00 H new ATOM 689 N ARG A 42 -10.290 4.590 7.306 1.00 0.00 N ATOM 690 CA ARG A 42 -10.390 5.941 6.718 1.00 0.00 C ATOM 691 C ARG A 42 -9.257 6.176 5.708 1.00 0.00 C ATOM 692 O ARG A 42 -9.451 6.830 4.678 1.00 0.00 O ATOM 693 CB ARG A 42 -10.364 6.990 7.865 1.00 0.00 C ATOM 694 CG ARG A 42 -10.544 8.475 7.441 1.00 0.00 C ATOM 695 CD ARG A 42 -11.915 8.779 6.793 1.00 0.00 C ATOM 696 NE ARG A 42 -12.019 8.253 5.414 1.00 0.00 N ATOM 697 CZ ARG A 42 -13.081 7.607 4.901 1.00 0.00 C ATOM 698 NH1 ARG A 42 -14.168 7.388 5.636 1.00 0.00 N ATOM 699 NH2 ARG A 42 -13.039 7.168 3.652 1.00 0.00 N ATOM 0 H ARG A 42 -9.837 4.575 8.220 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.328 6.040 6.172 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.151 6.739 8.577 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.415 6.897 8.393 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.418 9.111 8.317 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.754 8.741 6.738 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.706 8.345 7.404 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.076 9.857 6.780 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.217 8.392 4.800 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.204 7.712 6.603 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.966 6.897 5.233 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.205 7.321 3.086 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.841 6.677 3.257 1.00 0.00 H new ATOM 713 N PHE A 43 -8.094 5.594 5.999 1.00 0.00 N ATOM 714 CA PHE A 43 -6.891 5.730 5.173 1.00 0.00 C ATOM 715 C PHE A 43 -5.961 4.545 5.449 1.00 0.00 C ATOM 716 O PHE A 43 -6.258 3.683 6.285 1.00 0.00 O ATOM 717 CB PHE A 43 -6.164 7.090 5.437 1.00 0.00 C ATOM 718 CG PHE A 43 -5.599 7.263 6.854 1.00 0.00 C ATOM 719 CD1 PHE A 43 -6.388 7.785 7.875 1.00 0.00 C ATOM 720 CD2 PHE A 43 -4.271 6.910 7.161 1.00 0.00 C ATOM 721 CE1 PHE A 43 -5.883 7.947 9.148 1.00 0.00 C ATOM 722 CE2 PHE A 43 -3.771 7.074 8.436 1.00 0.00 C ATOM 723 CZ PHE A 43 -4.577 7.593 9.426 1.00 0.00 C ATOM 0 H PHE A 43 -7.957 5.008 6.823 1.00 0.00 H new ATOM 0 HA PHE A 43 -7.180 5.727 4.122 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.347 7.192 4.722 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.864 7.902 5.240 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.410 8.067 7.667 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.635 6.505 6.388 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.510 8.351 9.929 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.751 6.797 8.658 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.186 7.724 10.424 1.00 0.00 H new ATOM 733 N VAL A 44 -4.825 4.533 4.749 1.00 0.00 N ATOM 734 CA VAL A 44 -3.771 3.528 4.908 1.00 0.00 C ATOM 735 C VAL A 44 -2.438 4.237 5.163 1.00 0.00 C ATOM 736 O VAL A 44 -2.055 5.134 4.412 1.00 0.00 O ATOM 737 CB VAL A 44 -3.663 2.598 3.645 1.00 0.00 C ATOM 738 CG1 VAL A 44 -2.477 1.608 3.763 1.00 0.00 C ATOM 739 CG2 VAL A 44 -4.989 1.846 3.419 1.00 0.00 C ATOM 0 H VAL A 44 -4.607 5.235 4.042 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.022 2.893 5.757 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.470 3.231 2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.435 0.982 2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.546 2.166 3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.615 0.978 4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.899 1.206 2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.214 1.234 4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.793 2.565 3.263 1.00 0.00 H new ATOM 749 N ARG A 45 -1.744 3.810 6.222 1.00 0.00 N ATOM 750 CA ARG A 45 -0.451 4.344 6.619 1.00 0.00 C ATOM 751 C ARG A 45 0.628 3.365 6.151 1.00 0.00 C ATOM 752 O ARG A 45 0.564 2.155 6.420 1.00 0.00 O ATOM 753 CB ARG A 45 -0.382 4.552 8.147 1.00 0.00 C ATOM 754 CG ARG A 45 0.977 5.103 8.653 1.00 0.00 C ATOM 755 CD ARG A 45 0.997 5.287 10.176 1.00 0.00 C ATOM 756 NE ARG A 45 0.594 4.051 10.866 1.00 0.00 N ATOM 757 CZ ARG A 45 0.038 3.983 12.074 1.00 0.00 C ATOM 758 NH1 ARG A 45 -0.200 5.080 12.787 1.00 0.00 N ATOM 759 NH2 ARG A 45 -0.276 2.794 12.567 1.00 0.00 N ATOM 0 H ARG A 45 -2.078 3.067 6.836 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.295 5.320 6.159 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.174 5.239 8.445 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.583 3.601 8.641 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.775 4.421 8.361 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.182 6.059 8.171 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.998 5.576 10.497 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.325 6.099 10.456 1.00 0.00 H new ATOM 0 HE ARG A 45 0.754 3.171 10.377 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.044 5.996 12.410 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.627 5.005 13.710 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.091 1.951 12.023 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.703 2.721 13.491 1.00 0.00 H new ATOM 773 N VAL A 46 1.607 3.920 5.458 1.00 0.00 N ATOM 774 CA VAL A 46 2.701 3.179 4.847 1.00 0.00 C ATOM 775 C VAL A 46 3.841 3.049 5.870 1.00 0.00 C ATOM 776 O VAL A 46 4.472 4.053 6.232 1.00 0.00 O ATOM 777 CB VAL A 46 3.206 3.915 3.540 1.00 0.00 C ATOM 778 CG1 VAL A 46 4.240 3.069 2.767 1.00 0.00 C ATOM 779 CG2 VAL A 46 2.017 4.309 2.629 1.00 0.00 C ATOM 0 H VAL A 46 1.666 4.926 5.299 1.00 0.00 H new ATOM 0 HA VAL A 46 2.356 2.186 4.558 1.00 0.00 H new ATOM 0 HB VAL A 46 3.708 4.829 3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.561 3.610 1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.102 2.876 3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.788 2.122 2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.392 4.813 1.738 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.471 3.413 2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.350 4.979 3.171 1.00 0.00 H new ATOM 789 N THR A 47 4.063 1.820 6.374 1.00 0.00 N ATOM 790 CA THR A 47 5.217 1.506 7.225 1.00 0.00 C ATOM 791 C THR A 47 6.361 1.106 6.291 1.00 0.00 C ATOM 792 O THR A 47 6.136 0.375 5.330 1.00 0.00 O ATOM 793 CB THR A 47 4.933 0.334 8.220 1.00 0.00 C ATOM 794 OG1 THR A 47 3.825 0.665 9.064 1.00 0.00 O ATOM 795 CG2 THR A 47 6.158 -0.017 9.103 1.00 0.00 C ATOM 0 H THR A 47 3.449 1.024 6.202 1.00 0.00 H new ATOM 0 HA THR A 47 5.458 2.379 7.831 1.00 0.00 H new ATOM 0 HB THR A 47 4.703 -0.542 7.613 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.653 -0.075 9.683 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.900 -0.837 9.773 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.991 -0.316 8.467 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.445 0.855 9.691 1.00 0.00 H new ATOM 803 N PHE A 48 7.553 1.643 6.546 1.00 0.00 N ATOM 804 CA PHE A 48 8.761 1.337 5.759 1.00 0.00 C ATOM 805 C PHE A 48 9.687 0.378 6.509 1.00 0.00 C ATOM 806 O PHE A 48 9.660 0.308 7.741 1.00 0.00 O ATOM 807 CB PHE A 48 9.475 2.650 5.395 1.00 0.00 C ATOM 808 CG PHE A 48 8.669 3.515 4.433 1.00 0.00 C ATOM 809 CD1 PHE A 48 7.696 4.402 4.896 1.00 0.00 C ATOM 810 CD2 PHE A 48 8.878 3.431 3.069 1.00 0.00 C ATOM 811 CE1 PHE A 48 6.976 5.184 4.022 1.00 0.00 C ATOM 812 CE2 PHE A 48 8.155 4.212 2.198 1.00 0.00 C ATOM 813 CZ PHE A 48 7.205 5.087 2.672 1.00 0.00 C ATOM 0 H PHE A 48 7.716 2.305 7.305 1.00 0.00 H new ATOM 0 HA PHE A 48 8.469 0.830 4.839 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.672 3.215 6.306 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.442 2.420 4.947 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.505 4.476 5.956 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.617 2.745 2.683 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.233 5.872 4.397 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.334 4.138 1.136 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.640 5.697 1.983 1.00 0.00 H new ATOM 823 N THR A 49 10.494 -0.364 5.734 1.00 0.00 N ATOM 824 CA THR A 49 11.444 -1.350 6.259 1.00 0.00 C ATOM 825 C THR A 49 12.675 -0.634 6.868 1.00 0.00 C ATOM 826 O THR A 49 13.372 0.087 6.142 1.00 0.00 O ATOM 827 CB THR A 49 11.892 -2.347 5.134 1.00 0.00 C ATOM 828 OG1 THR A 49 12.321 -1.625 3.965 1.00 0.00 O ATOM 829 CG2 THR A 49 10.763 -3.312 4.746 1.00 0.00 C ATOM 0 H THR A 49 10.503 -0.294 4.716 1.00 0.00 H new ATOM 0 HA THR A 49 10.947 -1.923 7.042 1.00 0.00 H new ATOM 0 HB THR A 49 12.722 -2.931 5.533 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.889 -0.873 4.235 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.113 -3.986 3.964 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.465 -3.893 5.619 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.908 -2.743 4.379 1.00 0.00 H new ATOM 960 N TYR A 59 7.905 8.081 7.034 1.00 0.00 N ATOM 961 CA TYR A 59 6.578 7.442 7.186 1.00 0.00 C ATOM 962 C TYR A 59 5.534 8.302 6.484 1.00 0.00 C ATOM 963 O TYR A 59 5.333 9.455 6.873 1.00 0.00 O ATOM 964 CB TYR A 59 6.187 7.275 8.673 1.00 0.00 C ATOM 965 CG TYR A 59 7.067 6.315 9.466 1.00 0.00 C ATOM 966 CD1 TYR A 59 6.813 4.943 9.465 1.00 0.00 C ATOM 967 CD2 TYR A 59 8.144 6.783 10.221 1.00 0.00 C ATOM 968 CE1 TYR A 59 7.594 4.076 10.197 1.00 0.00 C ATOM 969 CE2 TYR A 59 8.933 5.917 10.950 1.00 0.00 C ATOM 970 CZ TYR A 59 8.654 4.566 10.934 1.00 0.00 C ATOM 971 OH TYR A 59 9.426 3.703 11.684 1.00 0.00 O ATOM 0 HA TYR A 59 6.625 6.448 6.740 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.217 8.253 9.153 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.156 6.926 8.725 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.991 4.555 8.881 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.363 7.840 10.235 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.378 3.018 10.195 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.763 6.294 11.529 1.00 0.00 H new ATOM 0 HH TYR A 59 10.131 4.208 12.141 1.00 0.00 H new ATOM 981 N VAL A 60 4.853 7.758 5.478 1.00 0.00 N ATOM 982 CA VAL A 60 3.784 8.480 4.757 1.00 0.00 C ATOM 983 C VAL A 60 2.448 7.740 4.914 1.00 0.00 C ATOM 984 O VAL A 60 2.378 6.726 5.617 1.00 0.00 O ATOM 985 CB VAL A 60 4.152 8.680 3.244 1.00 0.00 C ATOM 986 CG1 VAL A 60 5.437 9.527 3.104 1.00 0.00 C ATOM 987 CG2 VAL A 60 4.296 7.330 2.514 1.00 0.00 C ATOM 0 H VAL A 60 5.018 6.812 5.134 1.00 0.00 H new ATOM 0 HA VAL A 60 3.681 9.472 5.197 1.00 0.00 H new ATOM 0 HB VAL A 60 3.333 9.220 2.770 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.676 9.654 2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.280 10.504 3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.263 9.021 3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.551 7.507 1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.084 6.744 2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.354 6.784 2.570 1.00 0.00 H new ATOM 997 N TRP A 61 1.395 8.286 4.300 1.00 0.00 N ATOM 998 CA TRP A 61 0.041 7.706 4.316 1.00 0.00 C ATOM 999 C TRP A 61 -0.766 8.275 3.137 1.00 0.00 C ATOM 1000 O TRP A 61 -0.341 9.245 2.519 1.00 0.00 O ATOM 1001 CB TRP A 61 -0.664 7.987 5.675 1.00 0.00 C ATOM 1002 CG TRP A 61 -0.874 9.453 6.001 1.00 0.00 C ATOM 1003 CD1 TRP A 61 0.050 10.343 6.485 1.00 0.00 C ATOM 1004 CD2 TRP A 61 -2.103 10.183 5.891 1.00 0.00 C ATOM 1005 NE1 TRP A 61 -0.536 11.573 6.674 1.00 0.00 N ATOM 1006 CE2 TRP A 61 -1.853 11.498 6.317 1.00 0.00 C ATOM 1007 CE3 TRP A 61 -3.388 9.845 5.465 1.00 0.00 C ATOM 1008 CZ2 TRP A 61 -2.845 12.470 6.340 1.00 0.00 C ATOM 1009 CZ3 TRP A 61 -4.371 10.805 5.486 1.00 0.00 C ATOM 1010 CH2 TRP A 61 -4.098 12.108 5.919 1.00 0.00 C ATOM 0 H TRP A 61 1.455 9.155 3.769 1.00 0.00 H new ATOM 0 HA TRP A 61 0.108 6.624 4.206 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.634 7.489 5.673 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -0.075 7.534 6.472 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.085 10.112 6.688 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.064 12.407 7.024 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.607 8.844 5.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.636 13.475 6.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.370 10.550 5.163 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.890 12.842 5.921 1.00 0.00 H new ATOM 1021 N PHE A 62 -1.911 7.653 2.817 1.00 0.00 N ATOM 1022 CA PHE A 62 -2.781 8.105 1.712 1.00 0.00 C ATOM 1023 C PHE A 62 -4.249 7.719 1.958 1.00 0.00 C ATOM 1024 O PHE A 62 -4.536 6.717 2.622 1.00 0.00 O ATOM 1025 CB PHE A 62 -2.279 7.527 0.352 1.00 0.00 C ATOM 1026 CG PHE A 62 -2.199 5.998 0.293 1.00 0.00 C ATOM 1027 CD1 PHE A 62 -1.078 5.323 0.781 1.00 0.00 C ATOM 1028 CD2 PHE A 62 -3.249 5.236 -0.227 1.00 0.00 C ATOM 1029 CE1 PHE A 62 -1.007 3.944 0.739 1.00 0.00 C ATOM 1030 CE2 PHE A 62 -3.171 3.858 -0.261 1.00 0.00 C ATOM 1031 CZ PHE A 62 -2.053 3.215 0.225 1.00 0.00 C ATOM 0 H PHE A 62 -2.260 6.831 3.309 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.729 9.193 1.669 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.943 7.873 -0.441 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.291 7.937 0.142 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.256 5.887 1.197 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.131 5.731 -0.606 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.128 3.438 1.111 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -3.988 3.282 -0.670 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.999 2.137 0.202 1.00 0.00 H new ATOM 1041 N ASN A 63 -5.163 8.524 1.389 1.00 0.00 N ATOM 1042 CA ASN A 63 -6.621 8.298 1.450 1.00 0.00 C ATOM 1043 C ASN A 63 -7.031 7.210 0.443 1.00 0.00 C ATOM 1044 O ASN A 63 -6.404 7.067 -0.616 1.00 0.00 O ATOM 1045 CB ASN A 63 -7.386 9.614 1.147 1.00 0.00 C ATOM 1046 CG ASN A 63 -7.073 10.749 2.127 1.00 0.00 C ATOM 1047 OD1 ASN A 63 -6.793 10.523 3.308 1.00 0.00 O ATOM 1048 ND2 ASN A 63 -7.134 11.981 1.653 1.00 0.00 N ATOM 0 H ASN A 63 -4.908 9.362 0.866 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.878 7.967 2.456 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.142 9.941 0.136 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.457 9.414 1.167 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.947 12.774 2.267 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.368 12.139 0.673 1.00 0.00 H new ATOM 1055 N ILE A 64 -8.098 6.457 0.770 1.00 0.00 N ATOM 1056 CA ILE A 64 -8.544 5.289 -0.035 1.00 0.00 C ATOM 1057 C ILE A 64 -10.034 5.384 -0.413 1.00 0.00 C ATOM 1058 O ILE A 64 -10.457 4.822 -1.432 1.00 0.00 O ATOM 1059 CB ILE A 64 -8.273 3.936 0.726 1.00 0.00 C ATOM 1060 CG1 ILE A 64 -9.007 3.899 2.115 1.00 0.00 C ATOM 1061 CG2 ILE A 64 -6.752 3.705 0.899 1.00 0.00 C ATOM 1062 CD1 ILE A 64 -8.816 2.613 2.910 1.00 0.00 C ATOM 0 H ILE A 64 -8.676 6.634 1.592 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.959 5.303 -0.955 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.679 3.126 0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.655 4.736 2.717 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -10.074 4.051 1.950 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.584 2.766 1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.277 3.660 -0.081 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.322 4.526 1.473 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.360 2.683 3.852 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.196 1.769 2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.755 2.465 3.114 1.00 0.00 H new ATOM 1074 N GLY A 65 -10.819 6.094 0.415 1.00 0.00 N ATOM 1075 CA GLY A 65 -12.258 6.236 0.203 1.00 0.00 C ATOM 1076 C GLY A 65 -13.010 4.989 0.628 1.00 0.00 C ATOM 1077 O GLY A 65 -13.600 4.956 1.711 1.00 0.00 O ATOM 0 H GLY A 65 -10.471 6.580 1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.627 7.094 0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.453 6.438 -0.850 1.00 0.00 H new ATOM 1081 N SER A 66 -12.967 3.962 -0.227 1.00 0.00 N ATOM 1082 CA SER A 66 -13.499 2.627 0.062 1.00 0.00 C ATOM 1083 C SER A 66 -12.320 1.667 0.281 1.00 0.00 C ATOM 1084 O SER A 66 -11.356 1.677 -0.496 1.00 0.00 O ATOM 1085 CB SER A 66 -14.387 2.144 -1.109 1.00 0.00 C ATOM 1086 OG SER A 66 -14.877 0.826 -0.903 1.00 0.00 O ATOM 0 H SER A 66 -12.554 4.037 -1.156 1.00 0.00 H new ATOM 0 HA SER A 66 -14.115 2.656 0.961 1.00 0.00 H new ATOM 0 HB2 SER A 66 -15.227 2.827 -1.231 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.813 2.176 -2.035 1.00 0.00 H new ATOM 0 HG SER A 66 -15.434 0.561 -1.665 1.00 0.00 H new ATOM 1092 N VAL A 67 -12.391 0.883 1.370 1.00 0.00 N ATOM 1093 CA VAL A 67 -11.420 -0.192 1.662 1.00 0.00 C ATOM 1094 C VAL A 67 -11.454 -1.274 0.561 1.00 0.00 C ATOM 1095 O VAL A 67 -10.420 -1.871 0.248 1.00 0.00 O ATOM 1096 CB VAL A 67 -11.674 -0.845 3.075 1.00 0.00 C ATOM 1097 CG1 VAL A 67 -10.600 -1.911 3.415 1.00 0.00 C ATOM 1098 CG2 VAL A 67 -11.733 0.241 4.170 1.00 0.00 C ATOM 0 H VAL A 67 -13.123 0.975 2.075 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.430 0.264 1.679 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.637 -1.354 3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.809 -2.338 4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.620 -2.700 2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.615 -1.445 3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.909 -0.228 5.138 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.788 0.783 4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.544 0.935 3.950 1.00 0.00 H new ATOM 1108 N ASP A 68 -12.651 -1.501 -0.038 1.00 0.00 N ATOM 1109 CA ASP A 68 -12.836 -2.426 -1.178 1.00 0.00 C ATOM 1110 C ASP A 68 -12.041 -1.949 -2.402 1.00 0.00 C ATOM 1111 O ASP A 68 -11.475 -2.767 -3.137 1.00 0.00 O ATOM 1112 CB ASP A 68 -14.341 -2.569 -1.542 1.00 0.00 C ATOM 1113 CG ASP A 68 -15.160 -3.249 -0.435 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -15.518 -2.576 0.559 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -15.437 -4.462 -0.541 1.00 0.00 O ATOM 0 H ASP A 68 -13.514 -1.046 0.259 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.459 -3.403 -0.876 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.757 -1.581 -1.741 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.434 -3.145 -2.462 1.00 0.00 H new ATOM 1120 N THR A 69 -12.007 -0.616 -2.612 1.00 0.00 N ATOM 1121 CA THR A 69 -11.209 0.004 -3.679 1.00 0.00 C ATOM 1122 C THR A 69 -9.717 -0.253 -3.442 1.00 0.00 C ATOM 1123 O THR A 69 -9.035 -0.761 -4.329 1.00 0.00 O ATOM 1124 CB THR A 69 -11.476 1.543 -3.789 1.00 0.00 C ATOM 1125 OG1 THR A 69 -12.874 1.758 -4.014 1.00 0.00 O ATOM 1126 CG2 THR A 69 -10.663 2.210 -4.924 1.00 0.00 C ATOM 0 H THR A 69 -12.530 0.053 -2.048 1.00 0.00 H new ATOM 0 HA THR A 69 -11.511 -0.453 -4.621 1.00 0.00 H new ATOM 0 HB THR A 69 -11.156 2.001 -2.853 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.050 2.720 -4.082 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.887 3.276 -4.954 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.598 2.068 -4.740 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.930 1.756 -5.878 1.00 0.00 H new ATOM 1134 N PHE A 70 -9.249 0.061 -2.209 1.00 0.00 N ATOM 1135 CA PHE A 70 -7.845 -0.124 -1.808 1.00 0.00 C ATOM 1136 C PHE A 70 -7.358 -1.561 -2.064 1.00 0.00 C ATOM 1137 O PHE A 70 -6.410 -1.751 -2.816 1.00 0.00 O ATOM 1138 CB PHE A 70 -7.641 0.248 -0.313 1.00 0.00 C ATOM 1139 CG PHE A 70 -6.253 -0.106 0.230 1.00 0.00 C ATOM 1140 CD1 PHE A 70 -5.098 0.485 -0.302 1.00 0.00 C ATOM 1141 CD2 PHE A 70 -6.092 -1.064 1.236 1.00 0.00 C ATOM 1142 CE1 PHE A 70 -3.843 0.135 0.163 1.00 0.00 C ATOM 1143 CE2 PHE A 70 -4.836 -1.408 1.689 1.00 0.00 C ATOM 1144 CZ PHE A 70 -3.717 -0.811 1.155 1.00 0.00 C ATOM 0 H PHE A 70 -9.838 0.448 -1.471 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.248 0.547 -2.425 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.807 1.318 -0.189 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.396 -0.263 0.285 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.189 1.223 -1.085 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.962 -1.540 1.663 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.963 0.604 -0.252 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.730 -2.150 2.467 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.737 -1.086 1.515 1.00 0.00 H new ATOM 1154 N GLU A 71 -8.047 -2.552 -1.450 1.00 0.00 N ATOM 1155 CA GLU A 71 -7.604 -3.959 -1.457 1.00 0.00 C ATOM 1156 C GLU A 71 -7.570 -4.523 -2.894 1.00 0.00 C ATOM 1157 O GLU A 71 -6.560 -5.076 -3.301 1.00 0.00 O ATOM 1158 CB GLU A 71 -8.498 -4.836 -0.518 1.00 0.00 C ATOM 1159 CG GLU A 71 -9.990 -4.900 -0.917 1.00 0.00 C ATOM 1160 CD GLU A 71 -10.842 -5.810 -0.025 1.00 0.00 C ATOM 1161 OE1 GLU A 71 -10.586 -7.032 0.001 1.00 0.00 O ATOM 1162 OE2 GLU A 71 -11.767 -5.321 0.656 1.00 0.00 O ATOM 0 H GLU A 71 -8.917 -2.397 -0.941 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.587 -3.993 -1.067 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.097 -5.850 -0.501 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.424 -4.447 0.498 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.405 -3.892 -0.890 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.064 -5.248 -1.947 1.00 0.00 H new ATOM 1169 N ARG A 72 -8.658 -4.305 -3.679 1.00 0.00 N ATOM 1170 CA ARG A 72 -8.771 -4.856 -5.044 1.00 0.00 C ATOM 1171 C ARG A 72 -7.692 -4.262 -5.966 1.00 0.00 C ATOM 1172 O ARG A 72 -6.986 -5.009 -6.655 1.00 0.00 O ATOM 1173 CB ARG A 72 -10.183 -4.602 -5.636 1.00 0.00 C ATOM 1174 CG ARG A 72 -11.308 -5.430 -4.980 1.00 0.00 C ATOM 1175 CD ARG A 72 -12.674 -5.210 -5.654 1.00 0.00 C ATOM 1176 NE ARG A 72 -13.179 -3.832 -5.486 1.00 0.00 N ATOM 1177 CZ ARG A 72 -14.192 -3.288 -6.189 1.00 0.00 C ATOM 1178 NH1 ARG A 72 -14.825 -3.974 -7.140 1.00 0.00 N ATOM 1179 NH2 ARG A 72 -14.578 -2.049 -5.927 1.00 0.00 N ATOM 0 H ARG A 72 -9.464 -3.753 -3.386 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.617 -5.933 -4.979 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.421 -3.543 -5.534 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.161 -4.823 -6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.050 -6.488 -5.027 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.381 -5.166 -3.925 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.590 -5.434 -6.717 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -13.397 -5.911 -5.237 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.726 -3.247 -4.784 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.546 -4.932 -7.349 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.589 -3.541 -7.659 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.109 -1.512 -5.197 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -15.344 -1.631 -6.455 1.00 0.00 H new ATOM 1193 N ASN A 73 -7.553 -2.916 -5.930 1.00 0.00 N ATOM 1194 CA ASN A 73 -6.626 -2.172 -6.804 1.00 0.00 C ATOM 1195 C ASN A 73 -5.180 -2.530 -6.467 1.00 0.00 C ATOM 1196 O ASN A 73 -4.372 -2.752 -7.372 1.00 0.00 O ATOM 1197 CB ASN A 73 -6.846 -0.637 -6.670 1.00 0.00 C ATOM 1198 CG ASN A 73 -8.176 -0.122 -7.250 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -8.249 1.017 -7.720 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -9.245 -0.926 -7.230 1.00 0.00 N ATOM 0 H ASN A 73 -8.081 -2.319 -5.294 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.829 -2.456 -7.836 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.798 -0.368 -5.615 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.025 -0.122 -7.168 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.135 -0.600 -7.606 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -9.170 -1.865 -6.838 1.00 0.00 H new ATOM 1207 N LEU A 74 -4.896 -2.594 -5.149 1.00 0.00 N ATOM 1208 CA LEU A 74 -3.578 -2.952 -4.606 1.00 0.00 C ATOM 1209 C LEU A 74 -3.122 -4.333 -5.092 1.00 0.00 C ATOM 1210 O LEU A 74 -2.057 -4.447 -5.665 1.00 0.00 O ATOM 1211 CB LEU A 74 -3.606 -2.950 -3.059 1.00 0.00 C ATOM 1212 CG LEU A 74 -2.253 -3.285 -2.346 1.00 0.00 C ATOM 1213 CD1 LEU A 74 -1.223 -2.153 -2.523 1.00 0.00 C ATOM 1214 CD2 LEU A 74 -2.482 -3.629 -0.864 1.00 0.00 C ATOM 0 H LEU A 74 -5.588 -2.395 -4.427 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.872 -2.203 -4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.937 -1.967 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.355 -3.669 -2.728 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.833 -4.169 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.297 -2.421 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.025 -2.004 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.618 -1.232 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.527 -3.858 -0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.942 -2.779 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.140 -4.495 -0.789 1.00 0.00 H new ATOM 1226 N GLU A 75 -3.956 -5.368 -4.847 1.00 0.00 N ATOM 1227 CA GLU A 75 -3.598 -6.784 -5.105 1.00 0.00 C ATOM 1228 C GLU A 75 -3.425 -7.075 -6.608 1.00 0.00 C ATOM 1229 O GLU A 75 -2.564 -7.879 -6.989 1.00 0.00 O ATOM 1230 CB GLU A 75 -4.649 -7.727 -4.464 1.00 0.00 C ATOM 1231 CG GLU A 75 -4.792 -7.538 -2.937 1.00 0.00 C ATOM 1232 CD GLU A 75 -5.842 -8.451 -2.298 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -7.039 -8.099 -2.317 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -5.480 -9.533 -1.778 1.00 0.00 O ATOM 0 H GLU A 75 -4.894 -5.248 -4.466 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.631 -6.973 -4.640 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.616 -7.555 -4.936 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.373 -8.761 -4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.827 -7.723 -2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.053 -6.500 -2.731 1.00 0.00 H new ATOM 1241 N THR A 76 -4.249 -6.410 -7.445 1.00 0.00 N ATOM 1242 CA THR A 76 -4.141 -6.487 -8.918 1.00 0.00 C ATOM 1243 C THR A 76 -2.806 -5.866 -9.367 1.00 0.00 C ATOM 1244 O THR A 76 -2.059 -6.455 -10.160 1.00 0.00 O ATOM 1245 CB THR A 76 -5.337 -5.748 -9.610 1.00 0.00 C ATOM 1246 OG1 THR A 76 -6.567 -6.279 -9.104 1.00 0.00 O ATOM 1247 CG2 THR A 76 -5.323 -5.895 -11.144 1.00 0.00 C ATOM 0 H THR A 76 -5.005 -5.807 -7.121 1.00 0.00 H new ATOM 0 HA THR A 76 -4.176 -7.535 -9.215 1.00 0.00 H new ATOM 0 HB THR A 76 -5.239 -4.686 -9.383 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.768 -5.869 -8.237 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.174 -5.363 -11.568 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.399 -5.476 -11.541 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.386 -6.950 -11.409 1.00 0.00 H new ATOM 1255 N LEU A 77 -2.553 -4.669 -8.814 1.00 0.00 N ATOM 1256 CA LEU A 77 -1.318 -3.891 -8.997 1.00 0.00 C ATOM 1257 C LEU A 77 -0.065 -4.680 -8.575 1.00 0.00 C ATOM 1258 O LEU A 77 0.948 -4.626 -9.257 1.00 0.00 O ATOM 1259 CB LEU A 77 -1.435 -2.589 -8.177 1.00 0.00 C ATOM 1260 CG LEU A 77 -0.246 -1.592 -8.246 1.00 0.00 C ATOM 1261 CD1 LEU A 77 -0.128 -0.943 -9.641 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -0.376 -0.545 -7.135 1.00 0.00 C ATOM 0 H LEU A 77 -3.226 -4.201 -8.207 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.202 -3.666 -10.057 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.333 -2.065 -8.503 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.586 -2.861 -7.132 1.00 0.00 H new ATOM 0 HG LEU A 77 0.680 -2.145 -8.085 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.715 -0.252 -9.651 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.030 -1.718 -10.391 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.045 -0.400 -9.868 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.462 0.150 -7.190 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.311 0.002 -7.258 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.372 -1.042 -6.165 1.00 0.00 H new ATOM 1274 N GLN A 78 -0.156 -5.411 -7.445 1.00 0.00 N ATOM 1275 CA GLN A 78 0.936 -6.246 -6.924 1.00 0.00 C ATOM 1276 C GLN A 78 1.260 -7.380 -7.916 1.00 0.00 C ATOM 1277 O GLN A 78 2.424 -7.592 -8.265 1.00 0.00 O ATOM 1278 CB GLN A 78 0.553 -6.809 -5.526 1.00 0.00 C ATOM 1279 CG GLN A 78 0.479 -5.748 -4.408 1.00 0.00 C ATOM 1280 CD GLN A 78 0.080 -6.339 -3.056 1.00 0.00 C ATOM 1281 OE1 GLN A 78 -1.102 -6.463 -2.735 1.00 0.00 O ATOM 1282 NE2 GLN A 78 1.058 -6.716 -2.252 1.00 0.00 N ATOM 0 H GLN A 78 -0.996 -5.436 -6.868 1.00 0.00 H new ATOM 0 HA GLN A 78 1.832 -5.636 -6.810 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.413 -7.307 -5.601 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.282 -7.568 -5.242 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.448 -5.258 -4.313 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -0.240 -4.979 -4.690 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.029 -6.602 -2.542 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.842 -7.121 -1.341 1.00 0.00 H new ATOM 1291 N GLN A 79 0.202 -8.051 -8.412 1.00 0.00 N ATOM 1292 CA GLN A 79 0.321 -9.150 -9.374 1.00 0.00 C ATOM 1293 C GLN A 79 0.880 -8.641 -10.729 1.00 0.00 C ATOM 1294 O GLN A 79 1.597 -9.358 -11.431 1.00 0.00 O ATOM 1295 CB GLN A 79 -1.059 -9.837 -9.548 1.00 0.00 C ATOM 1296 CG GLN A 79 -1.042 -10.988 -10.570 1.00 0.00 C ATOM 1297 CD GLN A 79 -2.243 -11.932 -10.498 1.00 0.00 C ATOM 1298 OE1 GLN A 79 -3.355 -11.532 -10.148 1.00 0.00 O ATOM 1299 NE2 GLN A 79 -2.028 -13.197 -10.832 1.00 0.00 N ATOM 0 H GLN A 79 -0.761 -7.840 -8.151 1.00 0.00 H new ATOM 0 HA GLN A 79 1.029 -9.886 -8.993 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.390 -10.222 -8.583 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.791 -9.093 -9.862 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.992 -10.563 -11.573 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.132 -11.570 -10.425 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.096 -13.498 -11.118 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.794 -13.869 -10.803 1.00 0.00 H new ATOM 1308 N GLU A 80 0.563 -7.382 -11.053 1.00 0.00 N ATOM 1309 CA GLU A 80 1.011 -6.702 -12.260 1.00 0.00 C ATOM 1310 C GLU A 80 2.517 -6.365 -12.173 1.00 0.00 C ATOM 1311 O GLU A 80 3.301 -6.754 -13.044 1.00 0.00 O ATOM 1312 CB GLU A 80 0.143 -5.430 -12.417 1.00 0.00 C ATOM 1313 CG GLU A 80 0.544 -4.497 -13.553 1.00 0.00 C ATOM 1314 CD GLU A 80 -0.434 -3.334 -13.737 1.00 0.00 C ATOM 1315 OE1 GLU A 80 -0.489 -2.455 -12.848 1.00 0.00 O ATOM 1316 OE2 GLU A 80 -1.173 -3.300 -14.749 1.00 0.00 O ATOM 0 H GLU A 80 -0.029 -6.798 -10.462 1.00 0.00 H new ATOM 0 HA GLU A 80 0.893 -7.341 -13.135 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.892 -5.735 -12.569 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.177 -4.871 -11.482 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.540 -4.101 -13.357 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.604 -5.066 -14.481 1.00 0.00 H new ATOM 1323 N LEU A 81 2.916 -5.694 -11.077 1.00 0.00 N ATOM 1324 CA LEU A 81 4.288 -5.168 -10.898 1.00 0.00 C ATOM 1325 C LEU A 81 5.270 -6.278 -10.462 1.00 0.00 C ATOM 1326 O LEU A 81 6.483 -6.051 -10.428 1.00 0.00 O ATOM 1327 CB LEU A 81 4.302 -4.025 -9.846 1.00 0.00 C ATOM 1328 CG LEU A 81 3.349 -2.812 -10.076 1.00 0.00 C ATOM 1329 CD1 LEU A 81 3.445 -1.818 -8.899 1.00 0.00 C ATOM 1330 CD2 LEU A 81 3.603 -2.119 -11.431 1.00 0.00 C ATOM 0 H LEU A 81 2.299 -5.500 -10.289 1.00 0.00 H new ATOM 0 HA LEU A 81 4.613 -4.779 -11.863 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.062 -4.460 -8.876 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.321 -3.643 -9.781 1.00 0.00 H new ATOM 0 HG LEU A 81 2.330 -3.196 -10.115 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.773 -0.978 -9.076 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.161 -2.320 -7.974 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.468 -1.453 -8.814 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.916 -1.281 -11.546 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.629 -1.754 -11.466 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.444 -2.832 -12.240 1.00 0.00 H new ATOM 1342 N GLY A 82 4.734 -7.463 -10.108 1.00 0.00 N ATOM 1343 CA GLY A 82 5.552 -8.617 -9.709 1.00 0.00 C ATOM 1344 C GLY A 82 5.770 -8.742 -8.203 1.00 0.00 C ATOM 1345 O GLY A 82 6.600 -9.549 -7.759 1.00 0.00 O ATOM 0 H GLY A 82 3.730 -7.643 -10.092 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.076 -9.528 -10.072 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.523 -8.547 -10.200 1.00 0.00 H new ATOM 1349 N ILE A 83 5.038 -7.938 -7.416 1.00 0.00 N ATOM 1350 CA ILE A 83 4.957 -8.106 -5.963 1.00 0.00 C ATOM 1351 C ILE A 83 3.934 -9.246 -5.706 1.00 0.00 C ATOM 1352 O ILE A 83 2.738 -9.011 -5.624 1.00 0.00 O ATOM 1353 CB ILE A 83 4.524 -6.749 -5.237 1.00 0.00 C ATOM 1354 CG1 ILE A 83 5.584 -5.601 -5.390 1.00 0.00 C ATOM 1355 CG2 ILE A 83 4.241 -6.974 -3.741 1.00 0.00 C ATOM 1356 CD1 ILE A 83 5.636 -4.921 -6.739 1.00 0.00 C ATOM 0 H ILE A 83 4.488 -7.156 -7.771 1.00 0.00 H new ATOM 0 HA ILE A 83 5.932 -8.362 -5.548 1.00 0.00 H new ATOM 0 HB ILE A 83 3.611 -6.433 -5.741 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.383 -4.844 -4.632 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.570 -6.013 -5.175 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.950 -6.030 -3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.434 -7.698 -3.628 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.139 -7.354 -3.254 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.403 -4.147 -6.727 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.874 -5.656 -7.508 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.668 -4.469 -6.956 1.00 0.00 H new ATOM 1368 N GLU A 84 4.412 -10.499 -5.641 1.00 0.00 N ATOM 1369 CA GLU A 84 3.514 -11.692 -5.593 1.00 0.00 C ATOM 1370 C GLU A 84 3.891 -12.650 -4.447 1.00 0.00 C ATOM 1371 O GLU A 84 5.069 -12.807 -4.117 1.00 0.00 O ATOM 1372 CB GLU A 84 3.472 -12.423 -6.984 1.00 0.00 C ATOM 1373 CG GLU A 84 4.812 -12.495 -7.776 1.00 0.00 C ATOM 1374 CD GLU A 84 5.968 -13.213 -7.045 1.00 0.00 C ATOM 1375 OE1 GLU A 84 5.942 -14.462 -6.942 1.00 0.00 O ATOM 1376 OE2 GLU A 84 6.889 -12.531 -6.535 1.00 0.00 O ATOM 0 H GLU A 84 5.407 -10.724 -5.620 1.00 0.00 H new ATOM 0 HA GLU A 84 2.506 -11.337 -5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.116 -13.441 -6.823 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.733 -11.922 -7.610 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.630 -13.004 -8.722 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.129 -11.480 -8.016 1.00 0.00 H new ATOM 1383 N GLY A 85 2.846 -13.242 -3.832 1.00 0.00 N ATOM 1384 CA GLY A 85 2.979 -14.252 -2.782 1.00 0.00 C ATOM 1385 C GLY A 85 3.751 -13.768 -1.558 1.00 0.00 C ATOM 1386 O GLY A 85 3.214 -13.030 -0.725 1.00 0.00 O ATOM 0 H GLY A 85 1.876 -13.023 -4.060 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.985 -14.572 -2.470 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.481 -15.127 -3.194 1.00 0.00 H new ATOM 1390 N GLU A 86 5.029 -14.159 -1.501 1.00 0.00 N ATOM 1391 CA GLU A 86 5.925 -13.875 -0.370 1.00 0.00 C ATOM 1392 C GLU A 86 6.454 -12.428 -0.437 1.00 0.00 C ATOM 1393 O GLU A 86 6.750 -11.818 0.595 1.00 0.00 O ATOM 1394 CB GLU A 86 7.093 -14.894 -0.377 1.00 0.00 C ATOM 1395 CG GLU A 86 8.091 -14.750 0.791 1.00 0.00 C ATOM 1396 CD GLU A 86 9.156 -15.847 0.796 1.00 0.00 C ATOM 1397 OE1 GLU A 86 8.905 -16.930 1.372 1.00 0.00 O ATOM 1398 OE2 GLU A 86 10.241 -15.647 0.208 1.00 0.00 O ATOM 0 H GLU A 86 5.478 -14.689 -2.248 1.00 0.00 H new ATOM 0 HA GLU A 86 5.369 -13.975 0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.677 -15.901 -0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.638 -14.793 -1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.578 -13.777 0.729 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.546 -14.774 1.734 1.00 0.00 H new ATOM 1405 N ASN A 87 6.544 -11.882 -1.660 1.00 0.00 N ATOM 1406 CA ASN A 87 7.034 -10.508 -1.896 1.00 0.00 C ATOM 1407 C ASN A 87 5.964 -9.454 -1.535 1.00 0.00 C ATOM 1408 O ASN A 87 6.262 -8.258 -1.484 1.00 0.00 O ATOM 1409 CB ASN A 87 7.482 -10.359 -3.379 1.00 0.00 C ATOM 1410 CG ASN A 87 8.278 -9.074 -3.647 1.00 0.00 C ATOM 1411 OD1 ASN A 87 7.733 -8.051 -4.065 1.00 0.00 O ATOM 1412 ND2 ASN A 87 9.575 -9.104 -3.371 1.00 0.00 N ATOM 0 H ASN A 87 6.281 -12.376 -2.513 1.00 0.00 H new ATOM 0 HA ASN A 87 7.890 -10.332 -1.245 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.091 -11.220 -3.655 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.601 -10.373 -4.021 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.144 -8.268 -3.504 1.00 0.00 H new ATOM 0 HD22 ASN A 87 10.003 -9.963 -3.026 1.00 0.00 H new ATOM 1419 N ARG A 88 4.717 -9.913 -1.264 1.00 0.00 N ATOM 1420 CA ARG A 88 3.576 -9.018 -0.996 1.00 0.00 C ATOM 1421 C ARG A 88 3.702 -8.278 0.338 1.00 0.00 C ATOM 1422 O ARG A 88 4.337 -8.754 1.283 1.00 0.00 O ATOM 1423 CB ARG A 88 2.231 -9.770 -1.095 1.00 0.00 C ATOM 1424 CG ARG A 88 1.896 -10.234 -2.530 1.00 0.00 C ATOM 1425 CD ARG A 88 0.471 -10.775 -2.654 1.00 0.00 C ATOM 1426 NE ARG A 88 -0.522 -9.773 -2.254 1.00 0.00 N ATOM 1427 CZ ARG A 88 -1.762 -10.042 -1.831 1.00 0.00 C ATOM 1428 NH1 ARG A 88 -2.214 -11.287 -1.755 1.00 0.00 N ATOM 1429 NH2 ARG A 88 -2.531 -9.055 -1.451 1.00 0.00 N ATOM 0 H ARG A 88 4.481 -10.905 -1.226 1.00 0.00 H new ATOM 0 HA ARG A 88 3.595 -8.257 -1.776 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.259 -10.638 -0.437 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.432 -9.122 -0.734 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.025 -9.398 -3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.602 -11.007 -2.832 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.286 -11.081 -3.683 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.363 -11.664 -2.032 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.245 -8.793 -2.302 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.612 -12.065 -2.022 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.164 -11.466 -1.429 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.183 -8.097 -1.480 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.479 -9.243 -1.126 1.00 0.00 H new ATOM 1443 N VAL A 89 3.089 -7.089 0.372 1.00 0.00 N ATOM 1444 CA VAL A 89 3.110 -6.192 1.527 1.00 0.00 C ATOM 1445 C VAL A 89 1.885 -6.488 2.417 1.00 0.00 C ATOM 1446 O VAL A 89 0.762 -6.168 2.007 1.00 0.00 O ATOM 1447 CB VAL A 89 3.087 -4.689 1.060 1.00 0.00 C ATOM 1448 CG1 VAL A 89 3.193 -3.732 2.264 1.00 0.00 C ATOM 1449 CG2 VAL A 89 4.200 -4.415 0.025 1.00 0.00 C ATOM 0 H VAL A 89 2.557 -6.720 -0.416 1.00 0.00 H new ATOM 0 HA VAL A 89 4.026 -6.359 2.094 1.00 0.00 H new ATOM 0 HB VAL A 89 2.129 -4.502 0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.175 -2.701 1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.353 -3.900 2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.127 -3.917 2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.162 -3.370 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.172 -4.628 0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.052 -5.054 -0.846 1.00 0.00 H new ATOM 1459 N PRO A 90 2.072 -7.106 3.635 1.00 0.00 N ATOM 1460 CA PRO A 90 0.947 -7.516 4.515 1.00 0.00 C ATOM 1461 C PRO A 90 0.045 -6.319 4.875 1.00 0.00 C ATOM 1462 O PRO A 90 0.520 -5.293 5.379 1.00 0.00 O ATOM 1463 CB PRO A 90 1.649 -8.107 5.774 1.00 0.00 C ATOM 1464 CG PRO A 90 3.043 -7.558 5.730 1.00 0.00 C ATOM 1465 CD PRO A 90 3.383 -7.426 4.261 1.00 0.00 C ATOM 0 HA PRO A 90 0.282 -8.235 4.035 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.136 -7.810 6.689 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.652 -9.197 5.750 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.100 -6.593 6.234 1.00 0.00 H new ATOM 0 HG3 PRO A 90 3.742 -8.224 6.236 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.115 -6.638 4.087 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.806 -8.348 3.861 1.00 0.00 H new ATOM 1473 N VAL A 91 -1.255 -6.474 4.601 1.00 0.00 N ATOM 1474 CA VAL A 91 -2.244 -5.421 4.805 1.00 0.00 C ATOM 1475 C VAL A 91 -2.900 -5.678 6.161 1.00 0.00 C ATOM 1476 O VAL A 91 -3.682 -6.630 6.319 1.00 0.00 O ATOM 1477 CB VAL A 91 -3.321 -5.413 3.658 1.00 0.00 C ATOM 1478 CG1 VAL A 91 -4.311 -4.242 3.837 1.00 0.00 C ATOM 1479 CG2 VAL A 91 -2.643 -5.379 2.268 1.00 0.00 C ATOM 0 H VAL A 91 -1.648 -7.339 4.230 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.762 -4.443 4.785 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.895 -6.337 3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.045 -4.259 3.031 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.822 -4.340 4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.767 -3.298 3.811 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.407 -5.374 1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.033 -4.480 2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.011 -6.259 2.150 1.00 0.00 H new ATOM 1489 N VAL A 92 -2.568 -4.832 7.140 1.00 0.00 N ATOM 1490 CA VAL A 92 -2.955 -5.031 8.533 1.00 0.00 C ATOM 1491 C VAL A 92 -4.076 -4.040 8.847 1.00 0.00 C ATOM 1492 O VAL A 92 -3.818 -2.851 9.068 1.00 0.00 O ATOM 1493 CB VAL A 92 -1.729 -4.816 9.509 1.00 0.00 C ATOM 1494 CG1 VAL A 92 -2.043 -5.343 10.931 1.00 0.00 C ATOM 1495 CG2 VAL A 92 -0.440 -5.455 8.939 1.00 0.00 C ATOM 0 H VAL A 92 -2.020 -3.986 6.984 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.297 -6.056 8.680 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.554 -3.743 9.590 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.181 -5.181 11.578 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.905 -4.811 11.334 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.265 -6.409 10.883 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.385 -5.291 9.632 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.593 -6.526 8.805 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.202 -4.999 7.978 1.00 0.00 H new ATOM 1505 N TYR A 93 -5.319 -4.521 8.786 1.00 0.00 N ATOM 1506 CA TYR A 93 -6.504 -3.725 9.115 1.00 0.00 C ATOM 1507 C TYR A 93 -6.526 -3.498 10.638 1.00 0.00 C ATOM 1508 O TYR A 93 -6.743 -4.444 11.406 1.00 0.00 O ATOM 1509 CB TYR A 93 -7.782 -4.465 8.638 1.00 0.00 C ATOM 1510 CG TYR A 93 -7.770 -4.809 7.135 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -8.245 -3.909 6.182 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -7.267 -6.036 6.669 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -8.212 -4.214 4.832 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -7.239 -6.338 5.323 1.00 0.00 C ATOM 1515 CZ TYR A 93 -7.712 -5.427 4.410 1.00 0.00 C ATOM 1516 OH TYR A 93 -7.679 -5.725 3.064 1.00 0.00 O ATOM 0 H TYR A 93 -5.533 -5.478 8.506 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.472 -2.760 8.610 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.895 -5.385 9.212 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.653 -3.846 8.854 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -8.645 -2.958 6.502 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.894 -6.758 7.380 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -8.578 -3.501 4.109 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.847 -7.287 4.988 1.00 0.00 H new ATOM 0 HH TYR A 93 -7.296 -6.618 2.936 1.00 0.00 H new ATOM 1526 N ILE A 94 -6.237 -2.256 11.060 1.00 0.00 N ATOM 1527 CA ILE A 94 -6.111 -1.877 12.484 1.00 0.00 C ATOM 1528 C ILE A 94 -7.179 -0.824 12.841 1.00 0.00 C ATOM 1529 O ILE A 94 -7.521 0.035 12.023 1.00 0.00 O ATOM 1530 CB ILE A 94 -4.677 -1.281 12.787 1.00 0.00 C ATOM 1531 CG1 ILE A 94 -3.556 -2.289 12.380 1.00 0.00 C ATOM 1532 CG2 ILE A 94 -4.540 -0.870 14.278 1.00 0.00 C ATOM 1533 CD1 ILE A 94 -2.137 -1.795 12.596 1.00 0.00 C ATOM 0 H ILE A 94 -6.082 -1.477 10.420 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.254 -2.774 13.087 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.558 -0.381 12.183 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.694 -3.210 12.946 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.680 -2.541 11.327 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.544 -0.464 14.454 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.287 -0.113 14.517 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.693 -1.744 14.912 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.432 -2.565 12.284 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.972 -0.892 12.007 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.986 -1.572 13.652 1.00 0.00 H new