USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 538 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 20 SER OG : rot -151:sc= 0.604 USER MOD Set 1.2: A 46 CYS SG : rot 82:sc= 0.0165 USER MOD Set 2.1: A 31 GLN : amide:sc= 1.12 K(o=1.1,f=-0.065) USER MOD Set 2.2: A 35 SER OG : rot 180:sc= 0.00284 USER MOD Single : A 15 LYS NZ :NH3+ 164:sc= 1.93 (180deg=0.815) USER MOD Single : A 21 GLN : amide:sc= -0.772 K(o=-0.77,f=-0.15) USER MOD Single : A 22 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.047) USER MOD Single : A 26 GLN : amide:sc= 0.94 K(o=0.94,f=-6.4!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.69) USER MOD Single : A 36 LYS NZ :NH3+ -161:sc= 0.904! (180deg=-1.79!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.109 K(o=0.11,f=-9.2!) USER MOD Single : A 51 CYS SG : rot 85:sc= 0.685 USER MOD Single : A 53 GLN : amide:sc= -1.07 K(o=-1.1,f=-2) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0911 USER MOD Single : A 60 GLN : amide:sc= -0.0131 K(o=-0.013,f=-2.4!) USER MOD Single : A 62 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.3) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -2.18 K(o=-2.2,f=-4.7!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.671 X(o=-0.67,f=-0.62) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.098) USER MOD ----------------------------------------------------------------- ATOM 270 N LYS A 15 -5.596 -2.638 6.535 1.00 0.00 N ATOM 271 CA LYS A 15 -4.799 -3.361 7.510 1.00 0.00 C ATOM 272 C LYS A 15 -4.257 -4.588 6.777 1.00 0.00 C ATOM 273 O LYS A 15 -4.314 -4.624 5.554 1.00 0.00 O ATOM 274 CB LYS A 15 -5.682 -3.717 8.719 1.00 0.00 C ATOM 275 CG LYS A 15 -6.846 -4.657 8.353 1.00 0.00 C ATOM 276 CD LYS A 15 -7.483 -5.275 9.602 1.00 0.00 C ATOM 277 CE LYS A 15 -8.549 -6.342 9.293 1.00 0.00 C ATOM 278 NZ LYS A 15 -8.057 -7.417 8.405 1.00 0.00 N ATOM 0 HA LYS A 15 -3.966 -2.780 7.906 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.067 -4.189 9.485 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.083 -2.801 9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.601 -4.103 7.795 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.483 -5.449 7.698 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.700 -5.724 10.214 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.937 -4.483 10.197 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.895 -6.782 10.228 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.410 -5.862 8.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.706 -8.228 8.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.009 -7.065 7.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.109 -7.715 8.713 1.00 0.00 H new ATOM 292 N TRP A 16 -3.770 -5.594 7.496 1.00 0.00 N ATOM 293 CA TRP A 16 -3.675 -6.928 6.925 1.00 0.00 C ATOM 294 C TRP A 16 -4.256 -7.896 7.959 1.00 0.00 C ATOM 295 O TRP A 16 -5.454 -7.862 8.228 1.00 0.00 O ATOM 296 CB TRP A 16 -2.228 -7.209 6.504 1.00 0.00 C ATOM 297 CG TRP A 16 -1.734 -6.457 5.298 1.00 0.00 C ATOM 298 CD1 TRP A 16 -0.933 -5.368 5.299 1.00 0.00 C ATOM 299 CD2 TRP A 16 -1.986 -6.746 3.889 1.00 0.00 C ATOM 300 NE1 TRP A 16 -0.621 -5.007 4.005 1.00 0.00 N ATOM 301 CE2 TRP A 16 -1.236 -5.833 3.093 1.00 0.00 C ATOM 302 CE3 TRP A 16 -2.801 -7.660 3.196 1.00 0.00 C ATOM 303 CZ2 TRP A 16 -1.259 -5.858 1.691 1.00 0.00 C ATOM 304 CZ3 TRP A 16 -2.739 -7.777 1.797 1.00 0.00 C ATOM 305 CH2 TRP A 16 -1.983 -6.865 1.041 1.00 0.00 C ATOM 0 H TRP A 16 -3.441 -5.512 8.458 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.252 -7.046 6.008 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -1.574 -6.977 7.345 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.128 -8.277 6.308 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.588 -4.855 6.184 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -0.012 -4.227 3.756 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -3.487 -8.283 3.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -0.726 -5.111 1.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.275 -8.572 1.300 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -1.961 -6.940 -0.036 1.00 0.00 H new ATOM 316 N GLY A 17 -3.426 -8.677 8.639 1.00 0.00 N ATOM 317 CA GLY A 17 -3.888 -9.645 9.621 1.00 0.00 C ATOM 318 C GLY A 17 -2.898 -10.801 9.631 1.00 0.00 C ATOM 319 O GLY A 17 -2.112 -10.913 8.691 1.00 0.00 O ATOM 0 H GLY A 17 -2.413 -8.656 8.524 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.952 -9.188 10.608 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.887 -9.999 9.368 1.00 0.00 H new ATOM 323 N PRO A 18 -2.913 -11.656 10.658 1.00 0.00 N ATOM 324 CA PRO A 18 -1.977 -12.760 10.766 1.00 0.00 C ATOM 325 C PRO A 18 -2.083 -13.682 9.559 1.00 0.00 C ATOM 326 O PRO A 18 -1.105 -13.937 8.861 1.00 0.00 O ATOM 327 CB PRO A 18 -2.283 -13.437 12.106 1.00 0.00 C ATOM 328 CG PRO A 18 -3.727 -13.029 12.401 1.00 0.00 C ATOM 329 CD PRO A 18 -3.840 -11.640 11.775 1.00 0.00 C ATOM 0 HA PRO A 18 -0.937 -12.434 10.758 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.179 -14.520 12.040 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -1.604 -13.099 12.889 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.439 -13.727 11.961 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.926 -13.004 13.472 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.858 -11.439 11.441 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.581 -10.861 12.492 1.00 0.00 H new ATOM 337 N ALA A 19 -3.303 -14.122 9.279 1.00 0.00 N ATOM 338 CA ALA A 19 -3.589 -15.065 8.208 1.00 0.00 C ATOM 339 C ALA A 19 -3.090 -14.512 6.879 1.00 0.00 C ATOM 340 O ALA A 19 -2.497 -15.219 6.070 1.00 0.00 O ATOM 341 CB ALA A 19 -5.089 -15.366 8.145 1.00 0.00 C ATOM 0 H ALA A 19 -4.132 -13.830 9.797 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.066 -15.999 8.412 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.285 -16.073 7.339 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.414 -15.797 9.092 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.638 -14.443 7.959 1.00 0.00 H new ATOM 347 N SER A 20 -3.291 -13.213 6.672 1.00 0.00 N ATOM 348 CA SER A 20 -2.814 -12.532 5.485 1.00 0.00 C ATOM 349 C SER A 20 -1.333 -12.814 5.236 1.00 0.00 C ATOM 350 O SER A 20 -0.910 -12.987 4.095 1.00 0.00 O ATOM 351 CB SER A 20 -3.019 -11.031 5.640 1.00 0.00 C ATOM 352 OG SER A 20 -2.949 -10.439 4.367 1.00 0.00 O ATOM 0 H SER A 20 -3.789 -12.609 7.325 1.00 0.00 H new ATOM 0 HA SER A 20 -3.382 -12.904 4.633 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.985 -10.826 6.101 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.257 -10.610 6.296 1.00 0.00 H new ATOM 0 HG SER A 20 -2.618 -9.521 4.451 1.00 0.00 H new ATOM 358 N GLN A 21 -0.527 -12.842 6.296 1.00 0.00 N ATOM 359 CA GLN A 21 0.897 -13.027 6.126 1.00 0.00 C ATOM 360 C GLN A 21 1.233 -14.435 5.633 1.00 0.00 C ATOM 361 O GLN A 21 2.306 -14.616 5.057 1.00 0.00 O ATOM 362 CB GLN A 21 1.657 -12.639 7.399 1.00 0.00 C ATOM 363 CG GLN A 21 1.316 -11.238 7.938 1.00 0.00 C ATOM 364 CD GLN A 21 1.327 -10.126 6.892 1.00 0.00 C ATOM 365 OE1 GLN A 21 0.523 -9.197 6.926 1.00 0.00 O ATOM 366 NE2 GLN A 21 2.246 -10.189 5.939 1.00 0.00 N ATOM 0 H GLN A 21 -0.837 -12.740 7.262 1.00 0.00 H new ATOM 0 HA GLN A 21 1.235 -12.350 5.341 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.444 -13.375 8.174 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.727 -12.688 7.198 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.329 -11.273 8.400 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.027 -10.984 8.724 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.909 -10.964 5.920 1.00 0.00 H new ATOM 0 HE22 GLN A 21 2.291 -9.462 5.225 1.00 0.00 H new ATOM 375 N GLN A 22 0.338 -15.415 5.788 1.00 0.00 N ATOM 376 CA GLN A 22 0.484 -16.681 5.089 1.00 0.00 C ATOM 377 C GLN A 22 0.346 -16.394 3.599 1.00 0.00 C ATOM 378 O GLN A 22 1.236 -16.737 2.837 1.00 0.00 O ATOM 379 CB GLN A 22 -0.544 -17.707 5.590 1.00 0.00 C ATOM 380 CG GLN A 22 -0.478 -19.078 4.898 1.00 0.00 C ATOM 381 CD GLN A 22 0.860 -19.804 4.999 1.00 0.00 C ATOM 382 OE1 GLN A 22 1.263 -20.482 4.058 1.00 0.00 O ATOM 383 NE2 GLN A 22 1.562 -19.702 6.121 1.00 0.00 N ATOM 0 H GLN A 22 -0.485 -15.351 6.387 1.00 0.00 H new ATOM 0 HA GLN A 22 1.460 -17.125 5.283 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.402 -17.849 6.661 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.544 -17.295 5.453 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.251 -19.718 5.324 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.720 -18.945 3.844 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.211 -19.134 6.892 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.452 -20.192 6.212 1.00 0.00 H new ATOM 392 N ILE A 23 -0.736 -15.741 3.175 1.00 0.00 N ATOM 393 CA ILE A 23 -0.991 -15.519 1.757 1.00 0.00 C ATOM 394 C ILE A 23 0.154 -14.736 1.125 1.00 0.00 C ATOM 395 O ILE A 23 0.731 -15.161 0.128 1.00 0.00 O ATOM 396 CB ILE A 23 -2.344 -14.826 1.511 1.00 0.00 C ATOM 397 CG1 ILE A 23 -3.513 -15.789 1.755 1.00 0.00 C ATOM 398 CG2 ILE A 23 -2.446 -14.341 0.054 1.00 0.00 C ATOM 399 CD1 ILE A 23 -3.826 -16.054 3.217 1.00 0.00 C ATOM 0 H ILE A 23 -1.449 -15.357 3.796 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.048 -16.496 1.277 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.399 -13.986 2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.404 -15.385 1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.291 -16.738 1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.409 -13.854 -0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.644 -13.632 -0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.358 -15.193 -0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.666 -16.745 3.290 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.953 -16.491 3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.084 -15.117 3.710 1.00 0.00 H new ATOM 411 N LEU A 24 0.475 -13.571 1.677 1.00 0.00 N ATOM 412 CA LEU A 24 1.491 -12.715 1.094 1.00 0.00 C ATOM 413 C LEU A 24 2.798 -13.486 0.923 1.00 0.00 C ATOM 414 O LEU A 24 3.430 -13.424 -0.129 1.00 0.00 O ATOM 415 CB LEU A 24 1.685 -11.485 1.981 1.00 0.00 C ATOM 416 CG LEU A 24 0.528 -10.482 1.859 1.00 0.00 C ATOM 417 CD1 LEU A 24 0.607 -9.525 3.042 1.00 0.00 C ATOM 418 CD2 LEU A 24 0.639 -9.659 0.573 1.00 0.00 C ATOM 0 H LEU A 24 0.045 -13.202 2.525 1.00 0.00 H new ATOM 0 HA LEU A 24 1.170 -12.385 0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.779 -11.802 3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.619 -10.991 1.713 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.413 -11.032 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.205 -8.801 2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.520 -10.088 3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.563 -9.001 3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.194 -8.959 0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.578 -9.106 0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.612 -10.326 -0.289 1.00 0.00 H new ATOM 430 N PHE A 25 3.203 -14.223 1.956 1.00 0.00 N ATOM 431 CA PHE A 25 4.446 -14.967 1.905 1.00 0.00 C ATOM 432 C PHE A 25 4.320 -16.148 0.931 1.00 0.00 C ATOM 433 O PHE A 25 5.274 -16.418 0.204 1.00 0.00 O ATOM 434 CB PHE A 25 4.890 -15.387 3.313 1.00 0.00 C ATOM 435 CG PHE A 25 5.512 -14.295 4.184 1.00 0.00 C ATOM 436 CD1 PHE A 25 4.928 -13.018 4.309 1.00 0.00 C ATOM 437 CD2 PHE A 25 6.714 -14.565 4.867 1.00 0.00 C ATOM 438 CE1 PHE A 25 5.584 -12.005 5.031 1.00 0.00 C ATOM 439 CE2 PHE A 25 7.375 -13.545 5.575 1.00 0.00 C ATOM 440 CZ PHE A 25 6.838 -12.250 5.611 1.00 0.00 C ATOM 0 H PHE A 25 2.687 -14.316 2.831 1.00 0.00 H new ATOM 0 HA PHE A 25 5.236 -14.324 1.518 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.024 -15.791 3.838 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.611 -16.199 3.216 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.972 -12.817 3.848 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.131 -15.561 4.847 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.121 -11.035 5.139 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.298 -13.760 6.092 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.386 -11.447 6.082 1.00 0.00 H new ATOM 450 N GLN A 26 3.169 -16.834 0.877 1.00 0.00 N ATOM 451 CA GLN A 26 2.968 -17.969 -0.020 1.00 0.00 C ATOM 452 C GLN A 26 3.132 -17.473 -1.450 1.00 0.00 C ATOM 453 O GLN A 26 3.778 -18.119 -2.266 1.00 0.00 O ATOM 454 CB GLN A 26 1.638 -18.735 0.207 1.00 0.00 C ATOM 455 CG GLN A 26 0.461 -18.345 -0.704 1.00 0.00 C ATOM 456 CD GLN A 26 -0.712 -19.318 -0.624 1.00 0.00 C ATOM 457 OE1 GLN A 26 -0.579 -20.447 -1.097 1.00 0.00 O ATOM 458 NE2 GLN A 26 -1.844 -18.890 -0.084 1.00 0.00 N ATOM 0 H GLN A 26 2.357 -16.614 1.454 1.00 0.00 H new ATOM 0 HA GLN A 26 3.724 -18.722 0.201 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.831 -19.800 0.079 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.332 -18.589 1.243 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.116 -17.347 -0.433 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.811 -18.292 -1.735 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.903 -17.945 0.295 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.656 -19.506 -0.047 1.00 0.00 H new ATOM 467 N ALA A 27 2.519 -16.331 -1.756 1.00 0.00 N ATOM 468 CA ALA A 27 2.608 -15.700 -3.058 1.00 0.00 C ATOM 469 C ALA A 27 4.066 -15.399 -3.373 1.00 0.00 C ATOM 470 O ALA A 27 4.571 -15.852 -4.395 1.00 0.00 O ATOM 471 CB ALA A 27 1.769 -14.431 -3.066 1.00 0.00 C ATOM 0 H ALA A 27 1.940 -15.816 -1.093 1.00 0.00 H new ATOM 0 HA ALA A 27 2.221 -16.369 -3.827 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.836 -13.957 -4.045 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.729 -14.681 -2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.140 -13.745 -2.304 1.00 0.00 H new ATOM 477 N TYR A 28 4.741 -14.687 -2.467 1.00 0.00 N ATOM 478 CA TYR A 28 6.150 -14.353 -2.605 1.00 0.00 C ATOM 479 C TYR A 28 6.993 -15.608 -2.880 1.00 0.00 C ATOM 480 O TYR A 28 7.949 -15.561 -3.650 1.00 0.00 O ATOM 481 CB TYR A 28 6.609 -13.613 -1.341 1.00 0.00 C ATOM 482 CG TYR A 28 7.684 -12.568 -1.544 1.00 0.00 C ATOM 483 CD1 TYR A 28 7.330 -11.339 -2.129 1.00 0.00 C ATOM 484 CD2 TYR A 28 8.951 -12.722 -0.954 1.00 0.00 C ATOM 485 CE1 TYR A 28 8.196 -10.239 -2.038 1.00 0.00 C ATOM 486 CE2 TYR A 28 9.826 -11.624 -0.883 1.00 0.00 C ATOM 487 CZ TYR A 28 9.419 -10.371 -1.366 1.00 0.00 C ATOM 488 OH TYR A 28 10.265 -9.306 -1.258 1.00 0.00 O ATOM 0 H TYR A 28 4.317 -14.326 -1.613 1.00 0.00 H new ATOM 0 HA TYR A 28 6.291 -13.697 -3.464 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.742 -13.132 -0.889 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.974 -14.349 -0.625 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.389 -11.242 -2.650 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.251 -13.680 -0.557 1.00 0.00 H new ATOM 0 HE1 TYR A 28 7.921 -9.294 -2.484 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.811 -11.745 -0.457 1.00 0.00 H new ATOM 0 HH TYR A 28 11.066 -9.574 -0.761 1.00 0.00 H new ATOM 498 N GLU A 29 6.636 -16.727 -2.241 1.00 0.00 N ATOM 499 CA GLU A 29 7.258 -18.021 -2.473 1.00 0.00 C ATOM 500 C GLU A 29 7.071 -18.459 -3.928 1.00 0.00 C ATOM 501 O GLU A 29 7.975 -19.047 -4.515 1.00 0.00 O ATOM 502 CB GLU A 29 6.657 -19.076 -1.531 1.00 0.00 C ATOM 503 CG GLU A 29 7.592 -20.269 -1.306 1.00 0.00 C ATOM 504 CD GLU A 29 8.419 -20.077 -0.062 1.00 0.00 C ATOM 505 OE1 GLU A 29 7.906 -20.375 1.036 1.00 0.00 O ATOM 506 OE2 GLU A 29 9.556 -19.574 -0.176 1.00 0.00 O ATOM 0 H GLU A 29 5.896 -16.752 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 29 8.325 -17.927 -2.271 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.429 -18.612 -0.571 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.714 -19.432 -1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.006 -21.184 -1.220 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.248 -20.390 -2.168 1.00 0.00 H new ATOM 513 N ARG A 30 5.894 -18.226 -4.516 1.00 0.00 N ATOM 514 CA ARG A 30 5.651 -18.689 -5.872 1.00 0.00 C ATOM 515 C ARG A 30 6.443 -17.781 -6.816 1.00 0.00 C ATOM 516 O ARG A 30 7.209 -18.272 -7.647 1.00 0.00 O ATOM 517 CB ARG A 30 4.162 -18.658 -6.274 1.00 0.00 C ATOM 518 CG ARG A 30 3.120 -19.128 -5.248 1.00 0.00 C ATOM 519 CD ARG A 30 3.427 -20.465 -4.563 1.00 0.00 C ATOM 520 NE ARG A 30 2.358 -20.814 -3.608 1.00 0.00 N ATOM 521 CZ ARG A 30 2.352 -21.912 -2.836 1.00 0.00 C ATOM 522 NH1 ARG A 30 3.371 -22.773 -2.922 1.00 0.00 N ATOM 523 NH2 ARG A 30 1.340 -22.151 -1.997 1.00 0.00 N ATOM 0 H ARG A 30 5.115 -17.731 -4.081 1.00 0.00 H new ATOM 0 HA ARG A 30 5.965 -19.731 -5.934 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.915 -17.634 -6.554 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.047 -19.270 -7.169 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.019 -18.361 -4.480 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.154 -19.208 -5.747 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.524 -21.250 -5.312 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.382 -20.402 -4.042 1.00 0.00 H new ATOM 0 HE ARG A 30 1.567 -20.175 -3.529 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.139 -22.591 -3.568 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.380 -23.612 -2.342 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.561 -21.496 -1.938 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.347 -22.989 -1.415 1.00 0.00 H new ATOM 537 N GLN A 31 6.251 -16.468 -6.700 1.00 0.00 N ATOM 538 CA GLN A 31 6.836 -15.486 -7.590 1.00 0.00 C ATOM 539 C GLN A 31 6.880 -14.142 -6.853 1.00 0.00 C ATOM 540 O GLN A 31 6.013 -13.857 -6.033 1.00 0.00 O ATOM 541 CB GLN A 31 6.005 -15.449 -8.886 1.00 0.00 C ATOM 542 CG GLN A 31 6.720 -14.675 -9.995 1.00 0.00 C ATOM 543 CD GLN A 31 5.914 -14.616 -11.287 1.00 0.00 C ATOM 544 OE1 GLN A 31 6.352 -15.118 -12.316 1.00 0.00 O ATOM 545 NE2 GLN A 31 4.750 -13.983 -11.263 1.00 0.00 N ATOM 0 H GLN A 31 5.672 -16.056 -5.968 1.00 0.00 H new ATOM 0 HA GLN A 31 7.859 -15.735 -7.873 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.809 -16.467 -9.221 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.038 -14.987 -8.685 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.922 -13.661 -9.652 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.684 -15.142 -10.195 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.409 -13.575 -10.393 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.195 -13.904 -12.115 1.00 0.00 H new ATOM 554 N LYS A 32 7.930 -13.349 -7.096 1.00 0.00 N ATOM 555 CA LYS A 32 8.160 -12.069 -6.429 1.00 0.00 C ATOM 556 C LYS A 32 8.025 -10.889 -7.402 1.00 0.00 C ATOM 557 O LYS A 32 8.447 -9.779 -7.071 1.00 0.00 O ATOM 558 CB LYS A 32 9.580 -12.061 -5.834 1.00 0.00 C ATOM 559 CG LYS A 32 9.880 -13.238 -4.894 1.00 0.00 C ATOM 560 CD LYS A 32 11.308 -13.087 -4.343 1.00 0.00 C ATOM 561 CE LYS A 32 11.764 -14.363 -3.623 1.00 0.00 C ATOM 562 NZ LYS A 32 13.195 -14.318 -3.243 1.00 0.00 N ATOM 0 H LYS A 32 8.654 -13.586 -7.774 1.00 0.00 H new ATOM 0 HA LYS A 32 7.408 -11.956 -5.648 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.303 -12.070 -6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.727 -11.129 -5.288 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.161 -13.259 -4.075 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.781 -14.182 -5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.994 -12.863 -5.160 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.347 -12.244 -3.653 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.158 -14.508 -2.729 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.590 -15.223 -4.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.454 -15.202 -2.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.778 -14.207 -4.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.359 -13.514 -2.604 1.00 0.00 H new ATOM 576 N ASN A 33 7.563 -11.125 -8.632 1.00 0.00 N ATOM 577 CA ASN A 33 7.558 -10.182 -9.719 1.00 0.00 C ATOM 578 C ASN A 33 6.191 -10.244 -10.415 1.00 0.00 C ATOM 579 O ASN A 33 5.976 -11.116 -11.259 1.00 0.00 O ATOM 580 CB ASN A 33 8.764 -10.442 -10.626 1.00 0.00 C ATOM 581 CG ASN A 33 8.645 -11.493 -11.730 1.00 0.00 C ATOM 582 OD1 ASN A 33 8.576 -11.158 -12.909 1.00 0.00 O ATOM 583 ND2 ASN A 33 8.683 -12.776 -11.390 1.00 0.00 N ATOM 0 H ASN A 33 7.166 -12.027 -8.895 1.00 0.00 H new ATOM 0 HA ASN A 33 7.676 -9.155 -9.374 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.031 -9.497 -11.098 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.601 -10.727 -9.988 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.655 -13.496 -12.112 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.740 -13.042 -10.407 1.00 0.00 H new ATOM 590 N PRO A 34 5.259 -9.344 -10.052 1.00 0.00 N ATOM 591 CA PRO A 34 3.839 -9.503 -10.326 1.00 0.00 C ATOM 592 C PRO A 34 3.510 -9.326 -11.801 1.00 0.00 C ATOM 593 O PRO A 34 3.000 -8.289 -12.225 1.00 0.00 O ATOM 594 CB PRO A 34 3.110 -8.519 -9.405 1.00 0.00 C ATOM 595 CG PRO A 34 4.162 -7.451 -9.125 1.00 0.00 C ATOM 596 CD PRO A 34 5.462 -8.247 -9.120 1.00 0.00 C ATOM 0 HA PRO A 34 3.506 -10.519 -10.115 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.227 -8.097 -9.886 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.773 -9.002 -8.487 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.165 -6.676 -9.892 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.989 -6.954 -8.171 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.303 -7.624 -9.426 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.688 -8.620 -8.121 1.00 0.00 H new ATOM 604 N SER A 35 3.771 -10.379 -12.569 1.00 0.00 N ATOM 605 CA SER A 35 3.529 -10.454 -13.993 1.00 0.00 C ATOM 606 C SER A 35 2.050 -10.189 -14.275 1.00 0.00 C ATOM 607 O SER A 35 1.711 -9.222 -14.954 1.00 0.00 O ATOM 608 CB SER A 35 3.991 -11.828 -14.492 1.00 0.00 C ATOM 609 OG SER A 35 5.327 -12.065 -14.069 1.00 0.00 O ATOM 0 H SER A 35 4.174 -11.237 -12.193 1.00 0.00 H new ATOM 0 HA SER A 35 4.094 -9.693 -14.531 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.333 -12.606 -14.106 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.930 -11.870 -15.579 1.00 0.00 H new ATOM 0 HG SER A 35 5.620 -12.944 -14.387 1.00 0.00 H new ATOM 615 N LYS A 36 1.171 -11.024 -13.720 1.00 0.00 N ATOM 616 CA LYS A 36 -0.267 -10.825 -13.774 1.00 0.00 C ATOM 617 C LYS A 36 -0.884 -11.710 -12.688 1.00 0.00 C ATOM 618 O LYS A 36 -1.196 -11.203 -11.617 1.00 0.00 O ATOM 619 CB LYS A 36 -0.799 -11.066 -15.204 1.00 0.00 C ATOM 620 CG LYS A 36 -1.980 -10.150 -15.584 1.00 0.00 C ATOM 621 CD LYS A 36 -3.288 -10.477 -14.851 1.00 0.00 C ATOM 622 CE LYS A 36 -3.939 -11.745 -15.425 1.00 0.00 C ATOM 623 NZ LYS A 36 -4.815 -12.405 -14.445 1.00 0.00 N ATOM 0 H LYS A 36 1.447 -11.866 -13.215 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.554 -9.795 -13.562 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.012 -10.913 -15.915 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.112 -12.106 -15.296 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.706 -9.116 -15.373 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.150 -10.222 -16.658 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.089 -10.615 -13.788 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.978 -9.638 -14.939 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.517 -11.486 -16.312 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.162 -12.440 -15.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.976 -13.392 -14.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.364 -12.386 -13.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.726 -11.905 -14.401 1.00 0.00 H new ATOM 637 N GLU A 37 -0.965 -13.021 -12.913 1.00 0.00 N ATOM 638 CA GLU A 37 -1.720 -13.983 -12.144 1.00 0.00 C ATOM 639 C GLU A 37 -1.403 -13.893 -10.648 1.00 0.00 C ATOM 640 O GLU A 37 -2.308 -13.975 -9.820 1.00 0.00 O ATOM 641 CB GLU A 37 -1.325 -15.347 -12.729 1.00 0.00 C ATOM 642 CG GLU A 37 -2.528 -15.983 -13.430 1.00 0.00 C ATOM 643 CD GLU A 37 -2.934 -15.091 -14.589 1.00 0.00 C ATOM 644 OE1 GLU A 37 -2.016 -14.475 -15.175 1.00 0.00 O ATOM 645 OE2 GLU A 37 -4.154 -14.901 -14.778 1.00 0.00 O ATOM 0 H GLU A 37 -0.469 -13.458 -13.690 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.793 -13.805 -12.213 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.504 -15.225 -13.436 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.967 -16.003 -11.935 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.274 -16.980 -13.790 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.357 -16.098 -12.731 1.00 0.00 H new ATOM 652 N GLU A 38 -0.116 -13.706 -10.324 1.00 0.00 N ATOM 653 CA GLU A 38 0.403 -13.435 -8.986 1.00 0.00 C ATOM 654 C GLU A 38 -0.571 -12.530 -8.215 1.00 0.00 C ATOM 655 O GLU A 38 -0.965 -12.829 -7.091 1.00 0.00 O ATOM 656 CB GLU A 38 1.805 -12.800 -9.143 1.00 0.00 C ATOM 657 CG GLU A 38 2.644 -12.695 -7.856 1.00 0.00 C ATOM 658 CD GLU A 38 3.998 -12.030 -8.094 1.00 0.00 C ATOM 659 OE1 GLU A 38 4.743 -12.537 -8.960 1.00 0.00 O ATOM 660 OE2 GLU A 38 4.249 -10.961 -7.502 1.00 0.00 O ATOM 0 H GLU A 38 0.623 -13.742 -11.026 1.00 0.00 H new ATOM 0 HA GLU A 38 0.496 -14.352 -8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.367 -13.383 -9.873 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.685 -11.799 -9.558 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.089 -12.126 -7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.800 -13.693 -7.445 1.00 0.00 H new ATOM 667 N ARG A 39 -0.985 -11.431 -8.844 1.00 0.00 N ATOM 668 CA ARG A 39 -1.866 -10.443 -8.252 1.00 0.00 C ATOM 669 C ARG A 39 -3.242 -11.024 -7.962 1.00 0.00 C ATOM 670 O ARG A 39 -3.766 -10.829 -6.868 1.00 0.00 O ATOM 671 CB ARG A 39 -2.047 -9.256 -9.208 1.00 0.00 C ATOM 672 CG ARG A 39 -0.735 -8.572 -9.607 1.00 0.00 C ATOM 673 CD ARG A 39 -0.382 -7.380 -8.705 1.00 0.00 C ATOM 674 NE ARG A 39 -0.198 -6.190 -9.549 1.00 0.00 N ATOM 675 CZ ARG A 39 0.938 -5.495 -9.687 1.00 0.00 C ATOM 676 NH1 ARG A 39 1.808 -5.432 -8.681 1.00 0.00 N ATOM 677 NH2 ARG A 39 1.236 -4.887 -10.830 1.00 0.00 N ATOM 0 H ARG A 39 -0.708 -11.204 -9.799 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.405 -10.121 -7.318 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.553 -9.602 -10.109 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.700 -8.521 -8.738 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.074 -9.301 -9.570 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.809 -8.230 -10.639 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.175 -7.208 -7.977 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.528 -7.588 -8.142 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.008 -5.865 -10.076 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.609 -5.914 -7.804 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.673 -4.902 -8.787 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.595 -4.945 -11.621 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.106 -4.362 -10.917 1.00 0.00 H new ATOM 691 N GLU A 40 -3.843 -11.669 -8.960 1.00 0.00 N ATOM 692 CA GLU A 40 -5.211 -12.148 -8.878 1.00 0.00 C ATOM 693 C GLU A 40 -5.248 -13.083 -7.670 1.00 0.00 C ATOM 694 O GLU A 40 -6.009 -12.888 -6.726 1.00 0.00 O ATOM 695 CB GLU A 40 -5.569 -12.925 -10.144 1.00 0.00 C ATOM 696 CG GLU A 40 -6.638 -12.227 -11.004 1.00 0.00 C ATOM 697 CD GLU A 40 -5.997 -11.372 -12.086 1.00 0.00 C ATOM 698 OE1 GLU A 40 -4.761 -11.186 -12.047 1.00 0.00 O ATOM 699 OE2 GLU A 40 -6.666 -11.107 -13.105 1.00 0.00 O ATOM 0 H GLU A 40 -3.388 -11.872 -9.850 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.921 -11.327 -8.780 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.668 -13.068 -10.741 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.927 -13.916 -9.865 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.285 -12.974 -11.463 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.269 -11.604 -10.370 1.00 0.00 H new ATOM 706 N THR A 41 -4.338 -14.059 -7.711 1.00 0.00 N ATOM 707 CA THR A 41 -4.036 -14.990 -6.646 1.00 0.00 C ATOM 708 C THR A 41 -3.951 -14.245 -5.319 1.00 0.00 C ATOM 709 O THR A 41 -4.665 -14.577 -4.380 1.00 0.00 O ATOM 710 CB THR A 41 -2.723 -15.715 -7.007 1.00 0.00 C ATOM 711 OG1 THR A 41 -3.013 -16.941 -7.647 1.00 0.00 O ATOM 712 CG2 THR A 41 -1.737 -15.940 -5.859 1.00 0.00 C ATOM 0 H THR A 41 -3.765 -14.221 -8.539 1.00 0.00 H new ATOM 0 HA THR A 41 -4.822 -15.736 -6.534 1.00 0.00 H new ATOM 0 HB THR A 41 -2.204 -15.029 -7.676 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.176 -17.397 -7.876 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.854 -16.457 -6.234 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.443 -14.978 -5.438 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.211 -16.545 -5.086 1.00 0.00 H new ATOM 720 N LEU A 42 -3.067 -13.255 -5.225 1.00 0.00 N ATOM 721 CA LEU A 42 -2.794 -12.570 -3.980 1.00 0.00 C ATOM 722 C LEU A 42 -4.083 -12.014 -3.403 1.00 0.00 C ATOM 723 O LEU A 42 -4.429 -12.296 -2.257 1.00 0.00 O ATOM 724 CB LEU A 42 -1.778 -11.449 -4.242 1.00 0.00 C ATOM 725 CG LEU A 42 -0.343 -11.926 -4.008 1.00 0.00 C ATOM 726 CD1 LEU A 42 0.686 -11.110 -4.795 1.00 0.00 C ATOM 727 CD2 LEU A 42 -0.037 -11.812 -2.513 1.00 0.00 C ATOM 0 H LEU A 42 -2.523 -12.910 -6.016 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.374 -13.266 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.882 -11.095 -5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.992 -10.603 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.269 -12.956 -4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.686 -11.492 -4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.477 -11.192 -5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.629 -10.064 -4.493 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.983 -12.148 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.142 -10.774 -2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.734 -12.434 -1.951 1.00 0.00 H new ATOM 739 N VAL A 43 -4.776 -11.202 -4.192 1.00 0.00 N ATOM 740 CA VAL A 43 -5.976 -10.548 -3.726 1.00 0.00 C ATOM 741 C VAL A 43 -7.022 -11.584 -3.320 1.00 0.00 C ATOM 742 O VAL A 43 -7.610 -11.466 -2.248 1.00 0.00 O ATOM 743 CB VAL A 43 -6.488 -9.569 -4.787 1.00 0.00 C ATOM 744 CG1 VAL A 43 -7.864 -9.067 -4.350 1.00 0.00 C ATOM 745 CG2 VAL A 43 -5.519 -8.389 -4.946 1.00 0.00 C ATOM 0 H VAL A 43 -4.522 -10.986 -5.156 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.752 -9.962 -2.834 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.560 -10.073 -5.751 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.249 -8.367 -5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.547 -9.911 -4.259 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.779 -8.564 -3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.900 -7.705 -5.704 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.427 -7.863 -3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.541 -8.760 -5.251 1.00 0.00 H new ATOM 755 N GLU A 44 -7.272 -12.568 -4.177 1.00 0.00 N ATOM 756 CA GLU A 44 -8.278 -13.588 -3.945 1.00 0.00 C ATOM 757 C GLU A 44 -7.969 -14.347 -2.659 1.00 0.00 C ATOM 758 O GLU A 44 -8.792 -14.366 -1.749 1.00 0.00 O ATOM 759 CB GLU A 44 -8.331 -14.504 -5.179 1.00 0.00 C ATOM 760 CG GLU A 44 -9.046 -15.850 -4.986 1.00 0.00 C ATOM 761 CD GLU A 44 -10.453 -15.733 -4.401 1.00 0.00 C ATOM 762 OE1 GLU A 44 -11.059 -14.650 -4.517 1.00 0.00 O ATOM 763 OE2 GLU A 44 -10.898 -16.761 -3.839 1.00 0.00 O ATOM 0 H GLU A 44 -6.774 -12.678 -5.061 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.263 -13.141 -3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.826 -13.965 -5.987 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.310 -14.701 -5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.106 -16.358 -5.948 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.443 -16.478 -4.330 1.00 0.00 H new ATOM 770 N GLU A 45 -6.791 -14.965 -2.559 1.00 0.00 N ATOM 771 CA GLU A 45 -6.506 -15.875 -1.457 1.00 0.00 C ATOM 772 C GLU A 45 -6.563 -15.023 -0.174 1.00 0.00 C ATOM 773 O GLU A 45 -7.105 -15.441 0.851 1.00 0.00 O ATOM 774 CB GLU A 45 -5.143 -16.553 -1.666 1.00 0.00 C ATOM 775 CG GLU A 45 -5.189 -18.065 -1.930 1.00 0.00 C ATOM 776 CD GLU A 45 -5.494 -18.885 -0.694 1.00 0.00 C ATOM 777 OE1 GLU A 45 -4.548 -19.017 0.108 1.00 0.00 O ATOM 778 OE2 GLU A 45 -6.641 -19.377 -0.593 1.00 0.00 O ATOM 0 H GLU A 45 -6.026 -14.851 -3.224 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.229 -16.688 -1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.642 -16.071 -2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.529 -16.375 -0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.945 -18.271 -2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.231 -18.383 -2.340 1.00 0.00 H new ATOM 785 N CYS A 46 -6.044 -13.786 -0.242 1.00 0.00 N ATOM 786 CA CYS A 46 -6.108 -12.843 0.870 1.00 0.00 C ATOM 787 C CYS A 46 -7.555 -12.648 1.299 1.00 0.00 C ATOM 788 O CYS A 46 -7.894 -12.845 2.456 1.00 0.00 O ATOM 789 CB CYS A 46 -5.591 -11.453 0.477 1.00 0.00 C ATOM 790 SG CYS A 46 -5.589 -10.423 1.967 1.00 0.00 S ATOM 0 H CYS A 46 -5.572 -13.420 -1.068 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.492 -13.262 1.666 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.587 -11.523 0.059 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.226 -11.012 -0.292 1.00 0.00 H new ATOM 0 HG CYS A 46 -4.513 -10.661 2.657 1.00 0.00 H new ATOM 796 N ASN A 47 -8.391 -12.182 0.374 1.00 0.00 N ATOM 797 CA ASN A 47 -9.801 -11.873 0.571 1.00 0.00 C ATOM 798 C ASN A 47 -10.536 -13.063 1.164 1.00 0.00 C ATOM 799 O ASN A 47 -11.267 -12.927 2.142 1.00 0.00 O ATOM 800 CB ASN A 47 -10.428 -11.454 -0.769 1.00 0.00 C ATOM 801 CG ASN A 47 -10.177 -9.982 -1.078 1.00 0.00 C ATOM 802 OD1 ASN A 47 -9.872 -9.188 -0.192 1.00 0.00 O ATOM 803 ND2 ASN A 47 -10.309 -9.574 -2.333 1.00 0.00 N ATOM 0 H ASN A 47 -8.085 -12.001 -0.582 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.888 -11.046 1.276 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.017 -12.068 -1.570 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.501 -11.642 -0.742 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.157 -8.593 -2.569 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.563 -10.241 -3.062 1.00 0.00 H new ATOM 810 N ARG A 48 -10.332 -14.237 0.584 1.00 0.00 N ATOM 811 CA ARG A 48 -10.877 -15.499 1.034 1.00 0.00 C ATOM 812 C ARG A 48 -10.525 -15.681 2.513 1.00 0.00 C ATOM 813 O ARG A 48 -11.403 -15.813 3.367 1.00 0.00 O ATOM 814 CB ARG A 48 -10.287 -16.585 0.123 1.00 0.00 C ATOM 815 CG ARG A 48 -10.937 -17.963 0.246 1.00 0.00 C ATOM 816 CD ARG A 48 -10.114 -18.960 -0.586 1.00 0.00 C ATOM 817 NE ARG A 48 -10.054 -18.582 -2.018 1.00 0.00 N ATOM 818 CZ ARG A 48 -9.295 -19.173 -2.955 1.00 0.00 C ATOM 819 NH1 ARG A 48 -8.292 -19.974 -2.599 1.00 0.00 N ATOM 820 NH2 ARG A 48 -9.551 -18.968 -4.248 1.00 0.00 N ATOM 0 H ARG A 48 -9.755 -14.334 -0.251 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.964 -15.550 0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.370 -16.253 -0.912 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.224 -16.682 0.342 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -10.970 -18.276 1.290 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.967 -17.930 -0.110 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -9.102 -19.017 -0.185 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -10.550 -19.955 -0.493 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.641 -17.804 -2.318 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.098 -20.140 -1.612 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.718 -20.421 -3.314 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.323 -18.362 -4.525 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.974 -19.417 -4.960 1.00 0.00 H new ATOM 834 N ALA A 49 -9.235 -15.641 2.837 1.00 0.00 N ATOM 835 CA ALA A 49 -8.770 -15.786 4.207 1.00 0.00 C ATOM 836 C ALA A 49 -9.333 -14.690 5.116 1.00 0.00 C ATOM 837 O ALA A 49 -9.699 -14.958 6.261 1.00 0.00 O ATOM 838 CB ALA A 49 -7.244 -15.787 4.226 1.00 0.00 C ATOM 0 H ALA A 49 -8.487 -15.507 2.157 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.134 -16.736 4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.893 -15.896 5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.873 -16.618 3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.874 -14.848 3.814 1.00 0.00 H new ATOM 844 N GLU A 50 -9.399 -13.461 4.618 1.00 0.00 N ATOM 845 CA GLU A 50 -9.801 -12.269 5.337 1.00 0.00 C ATOM 846 C GLU A 50 -11.280 -12.392 5.708 1.00 0.00 C ATOM 847 O GLU A 50 -11.688 -12.043 6.812 1.00 0.00 O ATOM 848 CB GLU A 50 -9.459 -11.070 4.437 1.00 0.00 C ATOM 849 CG GLU A 50 -9.819 -9.700 4.994 1.00 0.00 C ATOM 850 CD GLU A 50 -9.054 -9.366 6.251 1.00 0.00 C ATOM 851 OE1 GLU A 50 -7.816 -9.234 6.194 1.00 0.00 O ATOM 852 OE2 GLU A 50 -9.700 -9.159 7.298 1.00 0.00 O ATOM 0 H GLU A 50 -9.159 -13.264 3.646 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.275 -12.130 6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.389 -11.088 4.231 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.969 -11.199 3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.619 -8.940 4.238 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.888 -9.667 5.204 1.00 0.00 H new ATOM 859 N CYS A 51 -12.094 -12.958 4.820 1.00 0.00 N ATOM 860 CA CYS A 51 -13.465 -13.301 5.166 1.00 0.00 C ATOM 861 C CYS A 51 -13.484 -14.271 6.353 1.00 0.00 C ATOM 862 O CYS A 51 -14.240 -14.062 7.301 1.00 0.00 O ATOM 863 CB CYS A 51 -14.264 -13.788 3.947 1.00 0.00 C ATOM 864 SG CYS A 51 -14.610 -15.559 4.009 1.00 0.00 S ATOM 0 H CYS A 51 -11.827 -13.186 3.862 1.00 0.00 H new ATOM 0 HA CYS A 51 -13.983 -12.399 5.491 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -15.204 -13.239 3.890 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -13.707 -13.562 3.038 1.00 0.00 H new ATOM 0 HG CYS A 51 -15.682 -15.767 4.715 1.00 0.00 H new ATOM 870 N ILE A 52 -12.602 -15.275 6.364 1.00 0.00 N ATOM 871 CA ILE A 52 -12.578 -16.263 7.433 1.00 0.00 C ATOM 872 C ILE A 52 -12.141 -15.582 8.731 1.00 0.00 C ATOM 873 O ILE A 52 -12.713 -15.876 9.783 1.00 0.00 O ATOM 874 CB ILE A 52 -11.722 -17.490 7.057 1.00 0.00 C ATOM 875 CG1 ILE A 52 -12.331 -18.195 5.831 1.00 0.00 C ATOM 876 CG2 ILE A 52 -11.626 -18.471 8.238 1.00 0.00 C ATOM 877 CD1 ILE A 52 -11.439 -19.303 5.263 1.00 0.00 C ATOM 0 H ILE A 52 -11.897 -15.420 5.641 1.00 0.00 H new ATOM 0 HA ILE A 52 -13.580 -16.662 7.590 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.716 -17.150 6.813 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -13.296 -18.621 6.108 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -12.520 -17.456 5.053 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -11.018 -19.329 7.950 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.167 -17.970 9.090 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -12.625 -18.810 8.511 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -11.928 -19.758 4.402 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.483 -18.879 4.956 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.270 -20.062 6.027 1.00 0.00 H new ATOM 889 N GLN A 53 -11.197 -14.633 8.663 1.00 0.00 N ATOM 890 CA GLN A 53 -10.757 -13.858 9.829 1.00 0.00 C ATOM 891 C GLN A 53 -11.934 -13.270 10.618 1.00 0.00 C ATOM 892 O GLN A 53 -11.775 -12.968 11.799 1.00 0.00 O ATOM 893 CB GLN A 53 -9.783 -12.726 9.453 1.00 0.00 C ATOM 894 CG GLN A 53 -8.429 -13.252 8.948 1.00 0.00 C ATOM 895 CD GLN A 53 -7.349 -12.173 8.875 1.00 0.00 C ATOM 896 OE1 GLN A 53 -6.190 -12.411 9.220 1.00 0.00 O ATOM 897 NE2 GLN A 53 -7.694 -10.971 8.440 1.00 0.00 N ATOM 0 H GLN A 53 -10.718 -14.382 7.798 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.231 -14.572 10.463 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.237 -12.103 8.682 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.619 -12.089 10.322 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.090 -14.052 9.606 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.563 -13.689 7.959 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.657 -10.788 8.158 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.997 -10.228 8.387 1.00 0.00 H new ATOM 906 N ARG A 54 -13.086 -13.069 9.977 1.00 0.00 N ATOM 907 CA ARG A 54 -14.275 -12.517 10.596 1.00 0.00 C ATOM 908 C ARG A 54 -15.521 -13.358 10.319 1.00 0.00 C ATOM 909 O ARG A 54 -16.637 -12.862 10.470 1.00 0.00 O ATOM 910 CB ARG A 54 -14.425 -11.090 10.085 1.00 0.00 C ATOM 911 CG ARG A 54 -14.680 -11.017 8.576 1.00 0.00 C ATOM 912 CD ARG A 54 -14.425 -9.597 8.089 1.00 0.00 C ATOM 913 NE ARG A 54 -15.166 -8.613 8.890 1.00 0.00 N ATOM 914 CZ ARG A 54 -16.316 -8.001 8.568 1.00 0.00 C ATOM 915 NH1 ARG A 54 -16.819 -8.143 7.340 1.00 0.00 N ATOM 916 NH2 ARG A 54 -16.965 -7.272 9.474 1.00 0.00 N ATOM 0 H ARG A 54 -13.213 -13.293 8.990 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.168 -12.524 11.681 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -15.249 -10.607 10.611 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.522 -10.528 10.323 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.028 -11.716 8.052 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.706 -11.311 8.355 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.358 -9.380 8.139 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.719 -9.512 7.043 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.760 -8.367 9.793 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.330 -8.715 6.651 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.693 -7.680 7.090 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.588 -7.177 10.417 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.839 -6.809 9.225 1.00 0.00 H new ATOM 930 N GLY A 55 -15.350 -14.612 9.903 1.00 0.00 N ATOM 931 CA GLY A 55 -16.449 -15.520 9.609 1.00 0.00 C ATOM 932 C GLY A 55 -17.502 -14.908 8.681 1.00 0.00 C ATOM 933 O GLY A 55 -18.694 -15.134 8.874 1.00 0.00 O ATOM 0 H GLY A 55 -14.430 -15.028 9.760 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.052 -16.425 9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.926 -15.818 10.543 1.00 0.00 H new ATOM 937 N VAL A 56 -17.081 -14.150 7.667 1.00 0.00 N ATOM 938 CA VAL A 56 -17.962 -13.856 6.544 1.00 0.00 C ATOM 939 C VAL A 56 -18.074 -15.125 5.695 1.00 0.00 C ATOM 940 O VAL A 56 -17.185 -15.975 5.706 1.00 0.00 O ATOM 941 CB VAL A 56 -17.440 -12.637 5.759 1.00 0.00 C ATOM 942 CG1 VAL A 56 -17.955 -12.520 4.319 1.00 0.00 C ATOM 943 CG2 VAL A 56 -17.887 -11.353 6.450 1.00 0.00 C ATOM 0 H VAL A 56 -16.151 -13.736 7.603 1.00 0.00 H new ATOM 0 HA VAL A 56 -18.961 -13.581 6.881 1.00 0.00 H new ATOM 0 HB VAL A 56 -16.360 -12.779 5.733 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -17.531 -11.631 3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -17.659 -13.404 3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -19.042 -12.442 4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -17.517 -10.492 5.893 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -18.976 -11.320 6.487 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -17.488 -11.328 7.464 1.00 0.00 H new ATOM 953 N SER A 57 -19.188 -15.269 4.981 1.00 0.00 N ATOM 954 CA SER A 57 -19.404 -16.386 4.077 1.00 0.00 C ATOM 955 C SER A 57 -18.335 -16.353 2.976 1.00 0.00 C ATOM 956 O SER A 57 -18.091 -15.276 2.433 1.00 0.00 O ATOM 957 CB SER A 57 -20.815 -16.273 3.486 1.00 0.00 C ATOM 958 OG SER A 57 -21.615 -17.350 3.935 1.00 0.00 O ATOM 0 H SER A 57 -19.966 -14.610 5.016 1.00 0.00 H new ATOM 0 HA SER A 57 -19.322 -17.336 4.605 1.00 0.00 H new ATOM 0 HB2 SER A 57 -21.267 -15.326 3.781 1.00 0.00 H new ATOM 0 HB3 SER A 57 -20.764 -16.277 2.397 1.00 0.00 H new ATOM 0 HG SER A 57 -22.515 -17.270 3.555 1.00 0.00 H new ATOM 964 N PRO A 58 -17.730 -17.489 2.597 1.00 0.00 N ATOM 965 CA PRO A 58 -16.679 -17.532 1.587 1.00 0.00 C ATOM 966 C PRO A 58 -17.146 -16.913 0.271 1.00 0.00 C ATOM 967 O PRO A 58 -16.452 -16.101 -0.337 1.00 0.00 O ATOM 968 CB PRO A 58 -16.291 -19.009 1.451 1.00 0.00 C ATOM 969 CG PRO A 58 -17.503 -19.772 1.992 1.00 0.00 C ATOM 970 CD PRO A 58 -18.067 -18.826 3.053 1.00 0.00 C ATOM 0 HA PRO A 58 -15.811 -16.939 1.876 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -16.087 -19.272 0.413 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -15.391 -19.238 2.021 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.232 -19.978 1.208 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -17.216 -20.732 2.421 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.146 -18.947 3.153 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -17.631 -19.029 4.031 1.00 0.00 H new ATOM 978 N SER A 59 -18.363 -17.255 -0.142 1.00 0.00 N ATOM 979 CA SER A 59 -19.008 -16.710 -1.324 1.00 0.00 C ATOM 980 C SER A 59 -19.062 -15.176 -1.308 1.00 0.00 C ATOM 981 O SER A 59 -19.199 -14.557 -2.360 1.00 0.00 O ATOM 982 CB SER A 59 -20.412 -17.318 -1.401 1.00 0.00 C ATOM 983 OG SER A 59 -20.938 -17.494 -0.090 1.00 0.00 O ATOM 0 H SER A 59 -18.939 -17.937 0.351 1.00 0.00 H new ATOM 0 HA SER A 59 -18.427 -16.970 -2.209 1.00 0.00 H new ATOM 0 HB2 SER A 59 -21.068 -16.668 -1.981 1.00 0.00 H new ATOM 0 HB3 SER A 59 -20.374 -18.277 -1.919 1.00 0.00 H new ATOM 0 HG SER A 59 -21.836 -17.881 -0.147 1.00 0.00 H new ATOM 989 N GLN A 60 -18.993 -14.555 -0.128 1.00 0.00 N ATOM 990 CA GLN A 60 -19.044 -13.115 0.046 1.00 0.00 C ATOM 991 C GLN A 60 -17.686 -12.565 0.476 1.00 0.00 C ATOM 992 O GLN A 60 -17.615 -11.508 1.104 1.00 0.00 O ATOM 993 CB GLN A 60 -20.151 -12.767 1.049 1.00 0.00 C ATOM 994 CG GLN A 60 -21.511 -13.339 0.628 1.00 0.00 C ATOM 995 CD GLN A 60 -22.584 -12.955 1.637 1.00 0.00 C ATOM 996 OE1 GLN A 60 -22.535 -13.378 2.786 1.00 0.00 O ATOM 997 NE2 GLN A 60 -23.552 -12.138 1.239 1.00 0.00 N ATOM 0 H GLN A 60 -18.898 -15.061 0.753 1.00 0.00 H new ATOM 0 HA GLN A 60 -19.281 -12.642 -0.907 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -19.884 -13.154 2.032 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -20.227 -11.684 1.143 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -21.780 -12.964 -0.359 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -21.448 -14.424 0.550 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -23.570 -11.800 0.277 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -24.277 -11.849 1.895 1.00 0.00 H new ATOM 1006 N ALA A 61 -16.596 -13.216 0.077 1.00 0.00 N ATOM 1007 CA ALA A 61 -15.253 -12.718 0.355 1.00 0.00 C ATOM 1008 C ALA A 61 -14.977 -11.395 -0.367 1.00 0.00 C ATOM 1009 O ALA A 61 -14.126 -10.625 0.058 1.00 0.00 O ATOM 1010 CB ALA A 61 -14.198 -13.773 0.016 1.00 0.00 C ATOM 0 H ALA A 61 -16.618 -14.094 -0.442 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.192 -12.515 1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.205 -13.378 0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.371 -14.666 0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.265 -14.028 -1.042 1.00 0.00 H new ATOM 1016 N GLN A 62 -15.721 -11.093 -1.431 1.00 0.00 N ATOM 1017 CA GLN A 62 -15.674 -9.786 -2.082 1.00 0.00 C ATOM 1018 C GLN A 62 -16.491 -8.724 -1.330 1.00 0.00 C ATOM 1019 O GLN A 62 -16.397 -7.534 -1.635 1.00 0.00 O ATOM 1020 CB GLN A 62 -16.104 -9.914 -3.544 1.00 0.00 C ATOM 1021 CG GLN A 62 -14.968 -10.490 -4.403 1.00 0.00 C ATOM 1022 CD GLN A 62 -13.805 -9.513 -4.557 1.00 0.00 C ATOM 1023 OE1 GLN A 62 -13.984 -8.300 -4.444 1.00 0.00 O ATOM 1024 NE2 GLN A 62 -12.602 -10.020 -4.794 1.00 0.00 N ATOM 0 H GLN A 62 -16.372 -11.747 -1.865 1.00 0.00 H new ATOM 0 HA GLN A 62 -14.642 -9.435 -2.056 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -16.980 -10.558 -3.614 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -16.396 -8.936 -3.928 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -14.606 -11.414 -3.951 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -15.356 -10.748 -5.388 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.482 -11.029 -4.883 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.797 -9.401 -4.887 1.00 0.00 H new ATOM 1033 N GLY A 63 -17.299 -9.128 -0.350 1.00 0.00 N ATOM 1034 CA GLY A 63 -18.214 -8.246 0.352 1.00 0.00 C ATOM 1035 C GLY A 63 -17.477 -7.254 1.240 1.00 0.00 C ATOM 1036 O GLY A 63 -17.785 -6.062 1.213 1.00 0.00 O ATOM 0 H GLY A 63 -17.332 -10.093 -0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -18.822 -7.703 -0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.896 -8.840 0.960 1.00 0.00 H new ATOM 1040 N LEU A 64 -16.532 -7.752 2.045 1.00 0.00 N ATOM 1041 CA LEU A 64 -15.898 -7.064 3.171 1.00 0.00 C ATOM 1042 C LEU A 64 -14.961 -5.890 2.850 1.00 0.00 C ATOM 1043 O LEU A 64 -13.950 -5.712 3.518 1.00 0.00 O ATOM 1044 CB LEU A 64 -15.355 -8.067 4.216 1.00 0.00 C ATOM 1045 CG LEU A 64 -14.238 -9.094 3.924 1.00 0.00 C ATOM 1046 CD1 LEU A 64 -14.739 -10.304 3.147 1.00 0.00 C ATOM 1047 CD2 LEU A 64 -12.997 -8.558 3.235 1.00 0.00 C ATOM 0 H LEU A 64 -16.171 -8.698 1.920 1.00 0.00 H new ATOM 0 HA LEU A 64 -16.715 -6.516 3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -15.008 -7.471 5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -16.214 -8.641 4.563 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.934 -9.384 4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -13.912 -10.991 2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.515 -10.810 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -15.150 -9.978 2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.286 -9.370 3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.272 -8.132 2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -12.541 -7.787 3.856 1.00 0.00 H new ATOM 1059 N GLY A 65 -15.323 -5.054 1.878 1.00 0.00 N ATOM 1060 CA GLY A 65 -14.661 -3.829 1.437 1.00 0.00 C ATOM 1061 C GLY A 65 -13.735 -3.156 2.452 1.00 0.00 C ATOM 1062 O GLY A 65 -12.591 -2.849 2.112 1.00 0.00 O ATOM 0 H GLY A 65 -16.164 -5.234 1.330 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.081 -4.057 0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.428 -3.112 1.145 1.00 0.00 H new ATOM 1066 N SER A 66 -14.224 -2.914 3.676 1.00 0.00 N ATOM 1067 CA SER A 66 -13.470 -2.371 4.798 1.00 0.00 C ATOM 1068 C SER A 66 -12.038 -2.906 4.810 1.00 0.00 C ATOM 1069 O SER A 66 -11.055 -2.167 4.875 1.00 0.00 O ATOM 1070 CB SER A 66 -14.168 -2.786 6.112 1.00 0.00 C ATOM 1071 OG SER A 66 -14.548 -1.673 6.903 1.00 0.00 O ATOM 0 H SER A 66 -15.198 -3.102 3.914 1.00 0.00 H new ATOM 0 HA SER A 66 -13.434 -1.286 4.701 1.00 0.00 H new ATOM 0 HB2 SER A 66 -15.052 -3.379 5.878 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.499 -3.425 6.688 1.00 0.00 H new ATOM 0 HG SER A 66 -14.986 -1.988 7.721 1.00 0.00 H new ATOM 1077 N ASN A 67 -11.954 -4.224 4.825 1.00 0.00 N ATOM 1078 CA ASN A 67 -10.801 -5.038 5.143 1.00 0.00 C ATOM 1079 C ASN A 67 -10.381 -5.927 3.979 1.00 0.00 C ATOM 1080 O ASN A 67 -9.243 -6.380 3.950 1.00 0.00 O ATOM 1081 CB ASN A 67 -11.071 -5.725 6.484 1.00 0.00 C ATOM 1082 CG ASN A 67 -12.257 -6.675 6.434 1.00 0.00 C ATOM 1083 OD1 ASN A 67 -13.385 -6.212 6.307 1.00 0.00 O ATOM 1084 ND2 ASN A 67 -12.063 -7.970 6.558 1.00 0.00 N ATOM 0 H ASN A 67 -12.764 -4.800 4.594 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.904 -4.434 5.281 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -10.182 -6.277 6.789 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.252 -4.966 7.245 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.859 -8.608 6.549 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -11.117 -8.336 6.663 1.00 0.00 H new ATOM 1091 N LEU A 68 -11.233 -6.053 2.962 1.00 0.00 N ATOM 1092 CA LEU A 68 -10.893 -6.505 1.630 1.00 0.00 C ATOM 1093 C LEU A 68 -9.581 -5.865 1.206 1.00 0.00 C ATOM 1094 O LEU A 68 -9.327 -4.698 1.525 1.00 0.00 O ATOM 1095 CB LEU A 68 -11.963 -6.018 0.645 1.00 0.00 C ATOM 1096 CG LEU A 68 -11.921 -6.766 -0.689 1.00 0.00 C ATOM 1097 CD1 LEU A 68 -12.793 -8.018 -0.596 1.00 0.00 C ATOM 1098 CD2 LEU A 68 -12.398 -5.867 -1.826 1.00 0.00 C ATOM 0 H LEU A 68 -12.224 -5.830 3.058 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.821 -7.593 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.948 -6.141 1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.826 -4.952 0.464 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.893 -7.059 -0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.765 -8.553 -1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.417 -8.665 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.820 -7.730 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.360 -6.418 -2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.422 -5.549 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.752 -4.991 -1.893 1.00 0.00 H new ATOM 1110 N VAL A 69 -8.791 -6.604 0.451 1.00 0.00 N ATOM 1111 CA VAL A 69 -7.622 -6.084 -0.207 1.00 0.00 C ATOM 1112 C VAL A 69 -7.963 -5.841 -1.681 1.00 0.00 C ATOM 1113 O VAL A 69 -8.832 -6.506 -2.244 1.00 0.00 O ATOM 1114 CB VAL A 69 -6.481 -7.079 0.018 1.00 0.00 C ATOM 1115 CG1 VAL A 69 -6.579 -8.309 -0.863 1.00 0.00 C ATOM 1116 CG2 VAL A 69 -5.159 -6.410 -0.305 1.00 0.00 C ATOM 0 H VAL A 69 -8.951 -7.597 0.279 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.296 -5.125 0.195 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.549 -7.389 1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.741 -8.974 -0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.515 -8.830 -0.658 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.552 -8.009 -1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.345 -7.117 -0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.160 -6.086 -1.346 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.021 -5.545 0.344 1.00 0.00 H new ATOM 1126 N THR A 70 -7.288 -4.882 -2.307 1.00 0.00 N ATOM 1127 CA THR A 70 -7.375 -4.592 -3.727 1.00 0.00 C ATOM 1128 C THR A 70 -5.955 -4.644 -4.301 1.00 0.00 C ATOM 1129 O THR A 70 -4.986 -4.601 -3.534 1.00 0.00 O ATOM 1130 CB THR A 70 -8.049 -3.222 -3.899 1.00 0.00 C ATOM 1131 OG1 THR A 70 -7.327 -2.220 -3.209 1.00 0.00 O ATOM 1132 CG2 THR A 70 -9.464 -3.232 -3.312 1.00 0.00 C ATOM 0 H THR A 70 -6.642 -4.264 -1.817 1.00 0.00 H new ATOM 0 HA THR A 70 -7.980 -5.318 -4.270 1.00 0.00 H new ATOM 0 HB THR A 70 -8.077 -3.015 -4.969 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.770 -1.355 -3.331 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.920 -2.251 -3.446 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.065 -3.985 -3.823 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.415 -3.467 -2.249 1.00 0.00 H new ATOM 1140 N GLU A 71 -5.807 -4.711 -5.629 1.00 0.00 N ATOM 1141 CA GLU A 71 -4.514 -4.760 -6.302 1.00 0.00 C ATOM 1142 C GLU A 71 -3.574 -3.728 -5.693 1.00 0.00 C ATOM 1143 O GLU A 71 -2.478 -4.043 -5.252 1.00 0.00 O ATOM 1144 CB GLU A 71 -4.688 -4.379 -7.770 1.00 0.00 C ATOM 1145 CG GLU A 71 -5.350 -5.442 -8.646 1.00 0.00 C ATOM 1146 CD GLU A 71 -5.777 -4.733 -9.907 1.00 0.00 C ATOM 1147 OE1 GLU A 71 -4.875 -4.323 -10.669 1.00 0.00 O ATOM 1148 OE2 GLU A 71 -6.975 -4.393 -9.994 1.00 0.00 O ATOM 0 H GLU A 71 -6.598 -4.733 -6.272 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.112 -5.768 -6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.281 -3.466 -7.824 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.708 -4.147 -8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.655 -6.252 -8.870 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.206 -5.887 -8.140 1.00 0.00 H new ATOM 1155 N VAL A 72 -4.028 -2.478 -5.668 1.00 0.00 N ATOM 1156 CA VAL A 72 -3.272 -1.324 -5.218 1.00 0.00 C ATOM 1157 C VAL A 72 -2.713 -1.492 -3.795 1.00 0.00 C ATOM 1158 O VAL A 72 -1.725 -0.842 -3.433 1.00 0.00 O ATOM 1159 CB VAL A 72 -4.153 -0.077 -5.371 1.00 0.00 C ATOM 1160 CG1 VAL A 72 -5.490 -0.217 -4.638 1.00 0.00 C ATOM 1161 CG2 VAL A 72 -3.432 1.169 -4.866 1.00 0.00 C ATOM 0 H VAL A 72 -4.971 -2.237 -5.974 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.386 -1.213 -5.842 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.356 0.025 -6.437 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.077 0.691 -4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.038 -1.069 -5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.307 -0.373 -3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.079 2.038 -4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.185 1.044 -3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.516 1.317 -5.439 1.00 0.00 H new ATOM 1171 N ARG A 73 -3.346 -2.312 -2.955 1.00 0.00 N ATOM 1172 CA ARG A 73 -2.833 -2.594 -1.627 1.00 0.00 C ATOM 1173 C ARG A 73 -1.635 -3.524 -1.723 1.00 0.00 C ATOM 1174 O ARG A 73 -0.547 -3.198 -1.251 1.00 0.00 O ATOM 1175 CB ARG A 73 -3.907 -3.227 -0.751 1.00 0.00 C ATOM 1176 CG ARG A 73 -5.113 -2.329 -0.479 1.00 0.00 C ATOM 1177 CD ARG A 73 -4.699 -0.982 0.119 1.00 0.00 C ATOM 1178 NE ARG A 73 -4.684 0.093 -0.886 1.00 0.00 N ATOM 1179 CZ ARG A 73 -5.762 0.790 -1.281 1.00 0.00 C ATOM 1180 NH1 ARG A 73 -6.987 0.454 -0.899 1.00 0.00 N ATOM 1181 NH2 ARG A 73 -5.622 1.847 -2.071 1.00 0.00 N ATOM 0 H ARG A 73 -4.218 -2.791 -3.179 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.528 -1.652 -1.171 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.253 -4.144 -1.228 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.460 -3.512 0.201 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.658 -2.162 -1.408 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.796 -2.835 0.204 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.387 -0.716 0.922 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.709 -1.074 0.565 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.788 0.326 -1.314 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.128 -0.352 -0.290 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.788 1.002 -1.214 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.693 2.133 -2.381 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.443 2.374 -2.369 1.00 0.00 H new ATOM 1195 N VAL A 74 -1.832 -4.668 -2.371 1.00 0.00 N ATOM 1196 CA VAL A 74 -0.760 -5.617 -2.619 1.00 0.00 C ATOM 1197 C VAL A 74 0.378 -4.866 -3.319 1.00 0.00 C ATOM 1198 O VAL A 74 1.541 -5.098 -3.026 1.00 0.00 O ATOM 1199 CB VAL A 74 -1.307 -6.751 -3.510 1.00 0.00 C ATOM 1200 CG1 VAL A 74 -0.220 -7.746 -3.919 1.00 0.00 C ATOM 1201 CG2 VAL A 74 -2.436 -7.539 -2.833 1.00 0.00 C ATOM 0 H VAL A 74 -2.738 -4.960 -2.737 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.385 -6.054 -1.694 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.695 -6.246 -4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.656 -8.524 -4.545 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.558 -7.225 -4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.214 -8.198 -3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.784 -8.325 -3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.065 -7.987 -1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.262 -6.866 -2.603 1.00 0.00 H new ATOM 1211 N TYR A 75 0.056 -3.923 -4.203 1.00 0.00 N ATOM 1212 CA TYR A 75 1.021 -3.065 -4.859 1.00 0.00 C ATOM 1213 C TYR A 75 1.859 -2.342 -3.807 1.00 0.00 C ATOM 1214 O TYR A 75 3.076 -2.488 -3.803 1.00 0.00 O ATOM 1215 CB TYR A 75 0.319 -2.093 -5.820 1.00 0.00 C ATOM 1216 CG TYR A 75 1.199 -1.604 -6.952 1.00 0.00 C ATOM 1217 CD1 TYR A 75 2.396 -0.919 -6.676 1.00 0.00 C ATOM 1218 CD2 TYR A 75 0.886 -1.947 -8.280 1.00 0.00 C ATOM 1219 CE1 TYR A 75 3.354 -0.748 -7.688 1.00 0.00 C ATOM 1220 CE2 TYR A 75 1.814 -1.700 -9.304 1.00 0.00 C ATOM 1221 CZ TYR A 75 3.067 -1.150 -8.999 1.00 0.00 C ATOM 1222 OH TYR A 75 4.067 -1.218 -9.923 1.00 0.00 O ATOM 0 H TYR A 75 -0.907 -3.736 -4.484 1.00 0.00 H new ATOM 0 HA TYR A 75 1.696 -3.669 -5.466 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.558 -2.584 -6.241 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.039 -1.233 -5.254 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.578 -0.525 -5.687 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -0.067 -2.400 -8.511 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.312 -0.307 -7.456 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.562 -1.934 -10.328 1.00 0.00 H new ATOM 0 HH TYR A 75 3.699 -1.515 -10.782 1.00 0.00 H new ATOM 1232 N ASN A 76 1.242 -1.562 -2.911 1.00 0.00 N ATOM 1233 CA ASN A 76 2.021 -0.881 -1.873 1.00 0.00 C ATOM 1234 C ASN A 76 2.802 -1.857 -1.004 1.00 0.00 C ATOM 1235 O ASN A 76 3.860 -1.492 -0.496 1.00 0.00 O ATOM 1236 CB ASN A 76 1.240 0.144 -1.035 1.00 0.00 C ATOM 1237 CG ASN A 76 0.111 -0.374 -0.158 1.00 0.00 C ATOM 1238 OD1 ASN A 76 0.307 -1.164 0.758 1.00 0.00 O ATOM 1239 ND2 ASN A 76 -1.084 0.165 -0.379 1.00 0.00 N ATOM 0 H ASN A 76 0.237 -1.390 -2.883 1.00 0.00 H new ATOM 0 HA ASN A 76 2.741 -0.281 -2.430 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.951 0.665 -0.394 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.823 0.886 -1.716 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.871 -0.076 0.223 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.213 0.820 -1.150 1.00 0.00 H new ATOM 1246 N TRP A 77 2.331 -3.089 -0.835 1.00 0.00 N ATOM 1247 CA TRP A 77 3.118 -4.105 -0.162 1.00 0.00 C ATOM 1248 C TRP A 77 4.332 -4.488 -1.015 1.00 0.00 C ATOM 1249 O TRP A 77 5.447 -4.110 -0.679 1.00 0.00 O ATOM 1250 CB TRP A 77 2.224 -5.281 0.224 1.00 0.00 C ATOM 1251 CG TRP A 77 2.762 -6.170 1.294 1.00 0.00 C ATOM 1252 CD1 TRP A 77 2.410 -6.082 2.588 1.00 0.00 C ATOM 1253 CD2 TRP A 77 3.632 -7.334 1.199 1.00 0.00 C ATOM 1254 NE1 TRP A 77 3.040 -7.068 3.318 1.00 0.00 N ATOM 1255 CE2 TRP A 77 3.761 -7.911 2.496 1.00 0.00 C ATOM 1256 CE3 TRP A 77 4.302 -7.984 0.148 1.00 0.00 C ATOM 1257 CZ2 TRP A 77 4.467 -9.105 2.715 1.00 0.00 C ATOM 1258 CZ3 TRP A 77 4.945 -9.214 0.350 1.00 0.00 C ATOM 1259 CH2 TRP A 77 5.015 -9.791 1.623 1.00 0.00 C ATOM 0 H TRP A 77 1.414 -3.402 -1.154 1.00 0.00 H new ATOM 0 HA TRP A 77 3.526 -3.716 0.771 1.00 0.00 H new ATOM 0 HB2 TRP A 77 1.260 -4.891 0.550 1.00 0.00 H new ATOM 0 HB3 TRP A 77 2.040 -5.883 -0.666 1.00 0.00 H new ATOM 0 HD1 TRP A 77 1.733 -5.347 2.997 1.00 0.00 H new ATOM 0 HE1 TRP A 77 2.981 -7.162 4.332 1.00 0.00 H new ATOM 0 HE3 TRP A 77 4.322 -7.529 -0.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.587 -9.491 3.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.393 -9.724 -0.490 1.00 0.00 H new ATOM 0 HH2 TRP A 77 5.486 -10.753 1.762 1.00 0.00 H new ATOM 1270 N PHE A 78 4.127 -5.206 -2.119 1.00 0.00 N ATOM 1271 CA PHE A 78 5.158 -5.740 -3.007 1.00 0.00 C ATOM 1272 C PHE A 78 6.167 -4.660 -3.399 1.00 0.00 C ATOM 1273 O PHE A 78 7.374 -4.855 -3.279 1.00 0.00 O ATOM 1274 CB PHE A 78 4.522 -6.400 -4.244 1.00 0.00 C ATOM 1275 CG PHE A 78 4.095 -7.843 -4.022 1.00 0.00 C ATOM 1276 CD1 PHE A 78 3.142 -8.164 -3.037 1.00 0.00 C ATOM 1277 CD2 PHE A 78 4.732 -8.888 -4.723 1.00 0.00 C ATOM 1278 CE1 PHE A 78 2.984 -9.494 -2.613 1.00 0.00 C ATOM 1279 CE2 PHE A 78 4.500 -10.226 -4.361 1.00 0.00 C ATOM 1280 CZ PHE A 78 3.693 -10.524 -3.251 1.00 0.00 C ATOM 0 H PHE A 78 3.186 -5.443 -2.434 1.00 0.00 H new ATOM 0 HA PHE A 78 5.707 -6.510 -2.465 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.653 -5.817 -4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.234 -6.365 -5.069 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.530 -7.385 -2.606 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.400 -8.659 -5.540 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.317 -9.724 -1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.943 -11.025 -4.937 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.618 -11.539 -2.890 1.00 0.00 H new ATOM 1290 N ALA A 79 5.686 -3.504 -3.852 1.00 0.00 N ATOM 1291 CA ALA A 79 6.542 -2.390 -4.226 1.00 0.00 C ATOM 1292 C ALA A 79 7.473 -2.027 -3.068 1.00 0.00 C ATOM 1293 O ALA A 79 8.688 -1.926 -3.240 1.00 0.00 O ATOM 1294 CB ALA A 79 5.688 -1.195 -4.651 1.00 0.00 C ATOM 0 H ALA A 79 4.690 -3.317 -3.969 1.00 0.00 H new ATOM 0 HA ALA A 79 7.162 -2.681 -5.074 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.337 -0.365 -4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.070 -1.475 -5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.047 -0.893 -3.823 1.00 0.00 H new ATOM 1300 N ASN A 80 6.912 -1.831 -1.876 1.00 0.00 N ATOM 1301 CA ASN A 80 7.702 -1.513 -0.693 1.00 0.00 C ATOM 1302 C ASN A 80 8.608 -2.685 -0.313 1.00 0.00 C ATOM 1303 O ASN A 80 9.706 -2.489 0.198 1.00 0.00 O ATOM 1304 CB ASN A 80 6.778 -1.137 0.466 1.00 0.00 C ATOM 1305 CG ASN A 80 7.562 -0.680 1.690 1.00 0.00 C ATOM 1306 OD1 ASN A 80 8.414 0.203 1.588 1.00 0.00 O ATOM 1307 ND2 ASN A 80 7.251 -1.244 2.853 1.00 0.00 N ATOM 0 H ASN A 80 5.908 -1.888 -1.706 1.00 0.00 H new ATOM 0 HA ASN A 80 8.342 -0.660 -0.918 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.103 -0.342 0.149 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.159 -1.994 0.730 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.725 -0.948 3.706 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.538 -1.973 2.892 1.00 0.00 H new ATOM 1314 N ARG A 81 8.164 -3.907 -0.585 1.00 0.00 N ATOM 1315 CA ARG A 81 8.924 -5.125 -0.373 1.00 0.00 C ATOM 1316 C ARG A 81 10.226 -5.079 -1.160 1.00 0.00 C ATOM 1317 O ARG A 81 11.269 -5.445 -0.622 1.00 0.00 O ATOM 1318 CB ARG A 81 8.067 -6.352 -0.726 1.00 0.00 C ATOM 1319 CG ARG A 81 8.115 -7.427 0.356 1.00 0.00 C ATOM 1320 CD ARG A 81 7.367 -6.951 1.602 1.00 0.00 C ATOM 1321 NE ARG A 81 7.407 -7.960 2.661 1.00 0.00 N ATOM 1322 CZ ARG A 81 7.162 -7.740 3.957 1.00 0.00 C ATOM 1323 NH1 ARG A 81 6.897 -6.505 4.390 1.00 0.00 N ATOM 1324 NH2 ARG A 81 7.175 -8.790 4.774 1.00 0.00 N ATOM 0 H ARG A 81 7.236 -4.078 -0.971 1.00 0.00 H new ATOM 0 HA ARG A 81 9.190 -5.209 0.681 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.034 -6.039 -0.877 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.413 -6.774 -1.669 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.668 -8.349 -0.016 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.151 -7.654 0.608 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.810 -6.023 1.963 1.00 0.00 H new ATOM 0 HD3 ARG A 81 6.331 -6.730 1.345 1.00 0.00 H new ATOM 0 HE ARG A 81 7.642 -8.914 2.387 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.881 -5.726 3.732 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.711 -6.340 5.379 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.367 -9.721 4.405 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.993 -8.664 5.770 1.00 0.00 H new ATOM 1338 N ARG A 82 10.186 -4.561 -2.392 1.00 0.00 N ATOM 1339 CA ARG A 82 11.411 -4.298 -3.134 1.00 0.00 C ATOM 1340 C ARG A 82 12.367 -3.502 -2.252 1.00 0.00 C ATOM 1341 O ARG A 82 13.511 -3.892 -2.081 1.00 0.00 O ATOM 1342 CB ARG A 82 11.174 -3.526 -4.439 1.00 0.00 C ATOM 1343 CG ARG A 82 10.070 -4.088 -5.341 1.00 0.00 C ATOM 1344 CD ARG A 82 10.098 -3.283 -6.647 1.00 0.00 C ATOM 1345 NE ARG A 82 8.852 -3.387 -7.420 1.00 0.00 N ATOM 1346 CZ ARG A 82 8.622 -4.205 -8.455 1.00 0.00 C ATOM 1347 NH1 ARG A 82 9.468 -5.197 -8.727 1.00 0.00 N ATOM 1348 NH2 ARG A 82 7.538 -3.980 -9.187 1.00 0.00 N ATOM 0 H ARG A 82 9.327 -4.320 -2.887 1.00 0.00 H new ATOM 0 HA ARG A 82 11.833 -5.265 -3.406 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.928 -2.493 -4.191 1.00 0.00 H new ATOM 0 HB3 ARG A 82 12.106 -3.505 -5.004 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.236 -5.147 -5.538 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.097 -4.003 -4.857 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.288 -2.235 -6.416 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.929 -3.629 -7.262 1.00 0.00 H new ATOM 0 HE ARG A 82 8.086 -2.775 -7.140 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.295 -5.336 -8.146 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.289 -5.818 -9.516 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.916 -3.207 -8.953 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.327 -4.581 -9.984 1.00 0.00 H new