USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=12 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 53 GLN : amide:sc= 0.378 K(o=0.66,f=-2.4) USER MOD Set 1.2: A 67 ASN : amide:sc= 0.287 K(o=0.66,f=-2.5) USER MOD Set 2.1: A 31 GLN : amide:sc= 0.985 K(o=2,f=-1.4) USER MOD Set 2.2: A 35 SER OG : rot 105:sc= 1.04 USER MOD Single : A 15 LYS NZ :NH3+ 175:sc= 0.576 (180deg=0.557) USER MOD Single : A 20 SER OG : rot -91:sc= 1.39 USER MOD Single : A 21 GLN : amide:sc= 0.722 K(o=0.72,f=-0.13) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 1.08 K(o=1.1,f=-0.47) USER MOD Single : A 28 TYR OH : rot 7:sc= 0.842 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 154:sc= 1.25 USER MOD Single : A 46 CYS SG : rot -70:sc= 0.413 USER MOD Single : A 47 ASN : amide:sc= -0.445 X(o=-0.45,f=-0.48) USER MOD Single : A 51 CYS SG : rot 81:sc= -0.248 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0942 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.549 K(o=-0.55,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0.595 K(o=0.59,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.279 X(o=-0.28,f=0) USER MOD ----------------------------------------------------------------- ATOM 270 N LYS A 15 -5.121 -1.813 7.048 1.00 0.00 N ATOM 271 CA LYS A 15 -4.146 -2.799 7.468 1.00 0.00 C ATOM 272 C LYS A 15 -4.437 -4.022 6.609 1.00 0.00 C ATOM 273 O LYS A 15 -5.565 -4.145 6.133 1.00 0.00 O ATOM 274 CB LYS A 15 -4.296 -3.094 8.965 1.00 0.00 C ATOM 275 CG LYS A 15 -5.567 -3.871 9.337 1.00 0.00 C ATOM 276 CD LYS A 15 -6.232 -3.357 10.613 1.00 0.00 C ATOM 277 CE LYS A 15 -6.711 -1.898 10.567 1.00 0.00 C ATOM 278 NZ LYS A 15 -7.347 -1.504 9.293 1.00 0.00 N ATOM 0 HA LYS A 15 -3.118 -2.462 7.337 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.428 -3.662 9.299 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.289 -2.150 9.511 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.278 -3.808 8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.318 -4.925 9.463 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.087 -3.995 10.839 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.527 -3.464 11.438 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.420 -1.736 11.379 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.860 -1.243 10.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.716 -0.535 9.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.644 -1.544 8.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.129 -2.156 9.079 1.00 0.00 H new ATOM 292 N TRP A 16 -3.462 -4.909 6.426 1.00 0.00 N ATOM 293 CA TRP A 16 -3.745 -6.199 5.819 1.00 0.00 C ATOM 294 C TRP A 16 -4.529 -7.020 6.852 1.00 0.00 C ATOM 295 O TRP A 16 -5.655 -6.683 7.206 1.00 0.00 O ATOM 296 CB TRP A 16 -2.414 -6.845 5.399 1.00 0.00 C ATOM 297 CG TRP A 16 -1.813 -6.377 4.109 1.00 0.00 C ATOM 298 CD1 TRP A 16 -0.749 -5.555 3.955 1.00 0.00 C ATOM 299 CD2 TRP A 16 -2.147 -6.848 2.772 1.00 0.00 C ATOM 300 NE1 TRP A 16 -0.424 -5.462 2.613 1.00 0.00 N ATOM 301 CE2 TRP A 16 -1.250 -6.250 1.840 1.00 0.00 C ATOM 302 CE3 TRP A 16 -3.059 -7.797 2.268 1.00 0.00 C ATOM 303 CZ2 TRP A 16 -1.281 -6.553 0.473 1.00 0.00 C ATOM 304 CZ3 TRP A 16 -3.009 -8.197 0.922 1.00 0.00 C ATOM 305 CH2 TRP A 16 -2.172 -7.532 0.012 1.00 0.00 C ATOM 0 H TRP A 16 -2.487 -4.759 6.685 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.352 -6.125 4.916 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -1.688 -6.674 6.194 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.566 -7.922 5.332 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.232 -5.049 4.757 1.00 0.00 H new ATOM 0 HE1 TRP A 16 0.331 -4.884 2.243 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -3.805 -8.222 2.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -0.627 -6.039 -0.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.619 -9.022 0.585 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.214 -7.774 -1.040 1.00 0.00 H new ATOM 316 N GLY A 17 -3.895 -8.009 7.469 1.00 0.00 N ATOM 317 CA GLY A 17 -4.539 -8.842 8.464 1.00 0.00 C ATOM 318 C GLY A 17 -3.561 -9.947 8.836 1.00 0.00 C ATOM 319 O GLY A 17 -2.587 -10.162 8.107 1.00 0.00 O ATOM 0 H GLY A 17 -2.921 -8.252 7.291 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.806 -8.254 9.342 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.464 -9.264 8.071 1.00 0.00 H new ATOM 323 N PRO A 18 -3.758 -10.599 9.985 1.00 0.00 N ATOM 324 CA PRO A 18 -2.838 -11.592 10.501 1.00 0.00 C ATOM 325 C PRO A 18 -2.891 -12.897 9.705 1.00 0.00 C ATOM 326 O PRO A 18 -1.933 -13.667 9.726 1.00 0.00 O ATOM 327 CB PRO A 18 -3.234 -11.780 11.966 1.00 0.00 C ATOM 328 CG PRO A 18 -4.719 -11.428 11.991 1.00 0.00 C ATOM 329 CD PRO A 18 -4.821 -10.333 10.933 1.00 0.00 C ATOM 0 HA PRO A 18 -1.801 -11.268 10.410 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.060 -12.803 12.299 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.658 -11.129 12.623 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.343 -12.287 11.746 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.035 -11.074 12.972 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.795 -10.352 10.444 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.708 -9.345 11.380 1.00 0.00 H new ATOM 337 N ALA A 19 -3.993 -13.151 8.996 1.00 0.00 N ATOM 338 CA ALA A 19 -4.097 -14.281 8.085 1.00 0.00 C ATOM 339 C ALA A 19 -3.334 -13.900 6.831 1.00 0.00 C ATOM 340 O ALA A 19 -2.354 -14.550 6.489 1.00 0.00 O ATOM 341 CB ALA A 19 -5.569 -14.597 7.795 1.00 0.00 C ATOM 0 H ALA A 19 -4.835 -12.577 9.041 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.672 -15.188 8.515 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.632 -15.444 7.112 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.079 -14.843 8.727 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.045 -13.728 7.340 1.00 0.00 H new ATOM 347 N SER A 20 -3.742 -12.796 6.216 1.00 0.00 N ATOM 348 CA SER A 20 -3.209 -12.197 5.010 1.00 0.00 C ATOM 349 C SER A 20 -1.693 -12.360 4.854 1.00 0.00 C ATOM 350 O SER A 20 -1.200 -12.673 3.773 1.00 0.00 O ATOM 351 CB SER A 20 -3.581 -10.713 5.073 1.00 0.00 C ATOM 352 OG SER A 20 -4.774 -10.499 5.814 1.00 0.00 O ATOM 0 H SER A 20 -4.523 -12.254 6.586 1.00 0.00 H new ATOM 0 HA SER A 20 -3.634 -12.702 4.142 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.765 -10.153 5.529 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.707 -10.327 4.062 1.00 0.00 H new ATOM 0 HG SER A 20 -5.545 -10.530 5.209 1.00 0.00 H new ATOM 358 N GLN A 21 -0.938 -12.127 5.932 1.00 0.00 N ATOM 359 CA GLN A 21 0.514 -12.238 5.897 1.00 0.00 C ATOM 360 C GLN A 21 0.956 -13.567 5.297 1.00 0.00 C ATOM 361 O GLN A 21 1.857 -13.590 4.465 1.00 0.00 O ATOM 362 CB GLN A 21 1.116 -12.088 7.296 1.00 0.00 C ATOM 363 CG GLN A 21 0.720 -10.805 8.020 1.00 0.00 C ATOM 364 CD GLN A 21 0.779 -9.602 7.092 1.00 0.00 C ATOM 365 OE1 GLN A 21 1.854 -9.176 6.686 1.00 0.00 O ATOM 366 NE2 GLN A 21 -0.371 -9.088 6.682 1.00 0.00 N ATOM 0 H GLN A 21 -1.315 -11.859 6.841 1.00 0.00 H new ATOM 0 HA GLN A 21 0.878 -11.428 5.265 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.812 -12.941 7.902 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.202 -12.125 7.216 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.289 -10.908 8.420 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.385 -10.644 8.869 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.252 -9.462 7.036 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.376 -8.319 6.012 1.00 0.00 H new ATOM 375 N GLN A 22 0.319 -14.662 5.708 1.00 0.00 N ATOM 376 CA GLN A 22 0.647 -15.991 5.223 1.00 0.00 C ATOM 377 C GLN A 22 0.634 -16.012 3.693 1.00 0.00 C ATOM 378 O GLN A 22 1.526 -16.565 3.050 1.00 0.00 O ATOM 379 CB GLN A 22 -0.313 -17.016 5.853 1.00 0.00 C ATOM 380 CG GLN A 22 -1.622 -17.241 5.082 1.00 0.00 C ATOM 381 CD GLN A 22 -2.471 -18.286 5.773 1.00 0.00 C ATOM 382 OE1 GLN A 22 -2.417 -19.455 5.406 1.00 0.00 O ATOM 383 NE2 GLN A 22 -3.232 -17.885 6.780 1.00 0.00 N ATOM 0 H GLN A 22 -0.440 -14.647 6.389 1.00 0.00 H new ATOM 0 HA GLN A 22 1.657 -16.268 5.525 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.206 -17.970 5.943 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.556 -16.689 6.864 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.175 -16.304 5.011 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.401 -17.559 4.063 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.244 -16.901 7.050 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.806 -18.560 7.286 1.00 0.00 H new ATOM 392 N ILE A 23 -0.393 -15.377 3.126 1.00 0.00 N ATOM 393 CA ILE A 23 -0.640 -15.320 1.701 1.00 0.00 C ATOM 394 C ILE A 23 0.507 -14.551 1.060 1.00 0.00 C ATOM 395 O ILE A 23 1.072 -14.967 0.051 1.00 0.00 O ATOM 396 CB ILE A 23 -1.985 -14.640 1.403 1.00 0.00 C ATOM 397 CG1 ILE A 23 -3.120 -15.125 2.320 1.00 0.00 C ATOM 398 CG2 ILE A 23 -2.342 -14.852 -0.072 1.00 0.00 C ATOM 399 CD1 ILE A 23 -3.547 -16.574 2.077 1.00 0.00 C ATOM 0 H ILE A 23 -1.093 -14.875 3.672 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.694 -16.328 1.291 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.871 -13.575 1.608 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.803 -15.021 3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.985 -14.476 2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.296 -14.371 -0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.565 -14.416 -0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.419 -15.920 -0.278 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.351 -16.836 2.764 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.897 -16.683 1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.697 -17.236 2.243 1.00 0.00 H new ATOM 411 N LEU A 24 0.840 -13.409 1.654 1.00 0.00 N ATOM 412 CA LEU A 24 1.830 -12.513 1.098 1.00 0.00 C ATOM 413 C LEU A 24 3.178 -13.237 1.076 1.00 0.00 C ATOM 414 O LEU A 24 3.847 -13.256 0.047 1.00 0.00 O ATOM 415 CB LEU A 24 1.874 -11.233 1.942 1.00 0.00 C ATOM 416 CG LEU A 24 0.643 -10.342 1.709 1.00 0.00 C ATOM 417 CD1 LEU A 24 0.692 -9.150 2.663 1.00 0.00 C ATOM 418 CD2 LEU A 24 0.468 -9.788 0.291 1.00 0.00 C ATOM 0 H LEU A 24 0.429 -13.086 2.530 1.00 0.00 H new ATOM 0 HA LEU A 24 1.580 -12.227 0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.934 -11.498 2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.777 -10.672 1.702 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.204 -11.005 1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.180 -8.517 2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.693 -9.508 3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.599 -8.574 2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.433 -9.176 0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.333 -9.179 0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.379 -10.614 -0.414 1.00 0.00 H new ATOM 430 N PHE A 25 3.560 -13.875 2.183 1.00 0.00 N ATOM 431 CA PHE A 25 4.791 -14.651 2.251 1.00 0.00 C ATOM 432 C PHE A 25 4.813 -15.749 1.188 1.00 0.00 C ATOM 433 O PHE A 25 5.754 -15.800 0.396 1.00 0.00 O ATOM 434 CB PHE A 25 5.010 -15.225 3.655 1.00 0.00 C ATOM 435 CG PHE A 25 5.328 -14.179 4.710 1.00 0.00 C ATOM 436 CD1 PHE A 25 6.517 -13.431 4.620 1.00 0.00 C ATOM 437 CD2 PHE A 25 4.504 -14.035 5.841 1.00 0.00 C ATOM 438 CE1 PHE A 25 6.835 -12.493 5.616 1.00 0.00 C ATOM 439 CE2 PHE A 25 4.812 -13.080 6.822 1.00 0.00 C ATOM 440 CZ PHE A 25 5.952 -12.274 6.684 1.00 0.00 C ATOM 0 H PHE A 25 3.025 -13.867 3.052 1.00 0.00 H new ATOM 0 HA PHE A 25 5.620 -13.975 2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.115 -15.770 3.957 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.825 -15.947 3.617 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.185 -13.578 3.784 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.632 -14.661 5.955 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.761 -11.940 5.560 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.171 -12.965 7.684 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.149 -11.488 7.398 1.00 0.00 H new ATOM 450 N GLN A 26 3.788 -16.610 1.128 1.00 0.00 N ATOM 451 CA GLN A 26 3.806 -17.672 0.127 1.00 0.00 C ATOM 452 C GLN A 26 3.909 -17.063 -1.276 1.00 0.00 C ATOM 453 O GLN A 26 4.583 -17.611 -2.145 1.00 0.00 O ATOM 454 CB GLN A 26 2.629 -18.655 0.272 1.00 0.00 C ATOM 455 CG GLN A 26 1.291 -17.998 -0.048 1.00 0.00 C ATOM 456 CD GLN A 26 0.122 -18.958 -0.173 1.00 0.00 C ATOM 457 OE1 GLN A 26 0.212 -20.153 0.096 1.00 0.00 O ATOM 458 NE2 GLN A 26 -1.003 -18.437 -0.636 1.00 0.00 N ATOM 0 H GLN A 26 2.969 -16.592 1.736 1.00 0.00 H new ATOM 0 HA GLN A 26 4.694 -18.281 0.296 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.783 -19.505 -0.393 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.607 -19.046 1.289 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.064 -17.271 0.732 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.389 -17.444 -0.981 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.053 -17.441 -0.852 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.820 -19.031 -0.777 1.00 0.00 H new ATOM 467 N ALA A 27 3.241 -15.933 -1.517 1.00 0.00 N ATOM 468 CA ALA A 27 3.264 -15.291 -2.815 1.00 0.00 C ATOM 469 C ALA A 27 4.678 -14.813 -3.136 1.00 0.00 C ATOM 470 O ALA A 27 5.183 -15.097 -4.217 1.00 0.00 O ATOM 471 CB ALA A 27 2.228 -14.171 -2.870 1.00 0.00 C ATOM 0 H ALA A 27 2.677 -15.448 -0.819 1.00 0.00 H new ATOM 0 HA ALA A 27 2.989 -16.009 -3.588 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.256 -13.697 -3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.235 -14.585 -2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.452 -13.430 -2.103 1.00 0.00 H new ATOM 477 N TYR A 28 5.340 -14.147 -2.186 1.00 0.00 N ATOM 478 CA TYR A 28 6.751 -13.783 -2.292 1.00 0.00 C ATOM 479 C TYR A 28 7.565 -15.012 -2.695 1.00 0.00 C ATOM 480 O TYR A 28 8.390 -14.966 -3.611 1.00 0.00 O ATOM 481 CB TYR A 28 7.242 -13.183 -0.960 1.00 0.00 C ATOM 482 CG TYR A 28 8.351 -12.153 -1.100 1.00 0.00 C ATOM 483 CD1 TYR A 28 8.043 -10.865 -1.577 1.00 0.00 C ATOM 484 CD2 TYR A 28 9.668 -12.445 -0.696 1.00 0.00 C ATOM 485 CE1 TYR A 28 9.049 -9.893 -1.701 1.00 0.00 C ATOM 486 CE2 TYR A 28 10.665 -11.454 -0.778 1.00 0.00 C ATOM 487 CZ TYR A 28 10.353 -10.172 -1.260 1.00 0.00 C ATOM 488 OH TYR A 28 11.342 -9.244 -1.406 1.00 0.00 O ATOM 0 H TYR A 28 4.905 -13.844 -1.315 1.00 0.00 H new ATOM 0 HA TYR A 28 6.882 -13.023 -3.062 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.396 -12.720 -0.452 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.594 -13.992 -0.320 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.026 -10.623 -1.849 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.913 -13.429 -0.323 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.820 -8.931 -2.135 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.675 -11.681 -0.469 1.00 0.00 H new ATOM 0 HH TYR A 28 10.957 -8.405 -1.734 1.00 0.00 H new ATOM 498 N GLU A 29 7.305 -16.137 -2.030 1.00 0.00 N ATOM 499 CA GLU A 29 7.992 -17.382 -2.305 1.00 0.00 C ATOM 500 C GLU A 29 7.716 -17.890 -3.725 1.00 0.00 C ATOM 501 O GLU A 29 8.558 -18.581 -4.302 1.00 0.00 O ATOM 502 CB GLU A 29 7.649 -18.426 -1.239 1.00 0.00 C ATOM 503 CG GLU A 29 8.737 -19.504 -1.162 1.00 0.00 C ATOM 504 CD GLU A 29 9.388 -19.512 0.197 1.00 0.00 C ATOM 505 OE1 GLU A 29 8.691 -19.869 1.170 1.00 0.00 O ATOM 506 OE2 GLU A 29 10.556 -19.078 0.262 1.00 0.00 O ATOM 0 H GLU A 29 6.610 -16.203 -1.286 1.00 0.00 H new ATOM 0 HA GLU A 29 9.065 -17.194 -2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.543 -17.940 -0.269 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.689 -18.888 -1.471 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.301 -20.482 -1.367 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.489 -19.323 -1.930 1.00 0.00 H new ATOM 513 N ARG A 30 6.572 -17.563 -4.324 1.00 0.00 N ATOM 514 CA ARG A 30 6.345 -17.888 -5.724 1.00 0.00 C ATOM 515 C ARG A 30 7.176 -16.940 -6.585 1.00 0.00 C ATOM 516 O ARG A 30 7.960 -17.411 -7.409 1.00 0.00 O ATOM 517 CB ARG A 30 4.869 -17.770 -6.108 1.00 0.00 C ATOM 518 CG ARG A 30 3.989 -18.739 -5.320 1.00 0.00 C ATOM 519 CD ARG A 30 2.534 -18.312 -5.499 1.00 0.00 C ATOM 520 NE ARG A 30 1.627 -19.041 -4.611 1.00 0.00 N ATOM 521 CZ ARG A 30 0.386 -18.658 -4.275 1.00 0.00 C ATOM 522 NH1 ARG A 30 -0.132 -17.520 -4.738 1.00 0.00 N ATOM 523 NH2 ARG A 30 -0.328 -19.422 -3.452 1.00 0.00 N ATOM 0 H ARG A 30 5.799 -17.080 -3.866 1.00 0.00 H new ATOM 0 HA ARG A 30 6.642 -18.924 -5.889 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.530 -16.749 -5.932 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.756 -17.964 -7.175 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.133 -19.759 -5.676 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.262 -18.728 -4.265 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.445 -17.243 -5.307 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.235 -18.476 -6.534 1.00 0.00 H new ATOM 0 HE ARG A 30 1.968 -19.916 -4.213 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.417 -16.925 -5.358 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.077 -17.245 -4.472 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.070 -20.287 -3.085 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.273 -19.143 -3.188 1.00 0.00 H new ATOM 537 N GLN A 31 6.997 -15.629 -6.410 1.00 0.00 N ATOM 538 CA GLN A 31 7.702 -14.583 -7.136 1.00 0.00 C ATOM 539 C GLN A 31 7.581 -13.259 -6.376 1.00 0.00 C ATOM 540 O GLN A 31 6.623 -13.056 -5.633 1.00 0.00 O ATOM 541 CB GLN A 31 7.196 -14.466 -8.588 1.00 0.00 C ATOM 542 CG GLN A 31 5.666 -14.509 -8.762 1.00 0.00 C ATOM 543 CD GLN A 31 5.241 -14.398 -10.230 1.00 0.00 C ATOM 544 OE1 GLN A 31 5.984 -13.892 -11.071 1.00 0.00 O ATOM 545 NE2 GLN A 31 4.050 -14.874 -10.578 1.00 0.00 N ATOM 0 H GLN A 31 6.331 -15.258 -5.732 1.00 0.00 H new ATOM 0 HA GLN A 31 8.758 -14.846 -7.199 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.566 -13.531 -9.009 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.634 -15.275 -9.173 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.282 -15.440 -8.345 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.216 -13.695 -8.194 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.442 -15.291 -9.873 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.744 -14.822 -11.550 1.00 0.00 H new ATOM 554 N LYS A 32 8.547 -12.354 -6.552 1.00 0.00 N ATOM 555 CA LYS A 32 8.525 -11.026 -5.951 1.00 0.00 C ATOM 556 C LYS A 32 7.822 -10.041 -6.886 1.00 0.00 C ATOM 557 O LYS A 32 7.214 -9.076 -6.426 1.00 0.00 O ATOM 558 CB LYS A 32 9.950 -10.527 -5.666 1.00 0.00 C ATOM 559 CG LYS A 32 10.614 -11.121 -4.413 1.00 0.00 C ATOM 560 CD LYS A 32 11.708 -12.163 -4.674 1.00 0.00 C ATOM 561 CE LYS A 32 11.125 -13.580 -4.717 1.00 0.00 C ATOM 562 NZ LYS A 32 12.166 -14.606 -4.879 1.00 0.00 N ATOM 0 H LYS A 32 9.374 -12.529 -7.123 1.00 0.00 H new ATOM 0 HA LYS A 32 7.982 -11.091 -5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.576 -10.751 -6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.924 -9.442 -5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.045 -10.306 -3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.841 -11.579 -3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.206 -11.943 -5.618 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.466 -12.102 -3.893 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.570 -13.770 -3.798 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.414 -13.653 -5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.725 -15.547 -4.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.680 -14.442 -5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.831 -14.555 -4.081 1.00 0.00 H new ATOM 576 N ASN A 33 7.970 -10.227 -8.198 1.00 0.00 N ATOM 577 CA ASN A 33 7.252 -9.432 -9.184 1.00 0.00 C ATOM 578 C ASN A 33 5.906 -10.102 -9.465 1.00 0.00 C ATOM 579 O ASN A 33 5.910 -11.233 -9.951 1.00 0.00 O ATOM 580 CB ASN A 33 8.073 -9.292 -10.476 1.00 0.00 C ATOM 581 CG ASN A 33 8.890 -8.008 -10.460 1.00 0.00 C ATOM 582 OD1 ASN A 33 8.352 -6.926 -10.692 1.00 0.00 O ATOM 583 ND2 ASN A 33 10.177 -8.075 -10.147 1.00 0.00 N ATOM 0 H ASN A 33 8.589 -10.930 -8.602 1.00 0.00 H new ATOM 0 HA ASN A 33 7.086 -8.428 -8.794 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.737 -10.150 -10.585 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.406 -9.293 -11.338 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.735 -7.222 -10.096 1.00 0.00 H new ATOM 0 HD22 ASN A 33 10.609 -8.979 -9.957 1.00 0.00 H new ATOM 590 N PRO A 34 4.765 -9.436 -9.202 1.00 0.00 N ATOM 591 CA PRO A 34 3.449 -10.014 -9.436 1.00 0.00 C ATOM 592 C PRO A 34 3.177 -9.999 -10.938 1.00 0.00 C ATOM 593 O PRO A 34 2.476 -9.132 -11.450 1.00 0.00 O ATOM 594 CB PRO A 34 2.474 -9.141 -8.641 1.00 0.00 C ATOM 595 CG PRO A 34 3.152 -7.771 -8.636 1.00 0.00 C ATOM 596 CD PRO A 34 4.639 -8.124 -8.582 1.00 0.00 C ATOM 0 HA PRO A 34 3.355 -11.051 -9.113 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.492 -9.102 -9.113 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.327 -9.521 -7.630 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.906 -7.196 -9.528 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.848 -7.173 -7.777 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.235 -7.383 -9.114 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.998 -8.143 -7.553 1.00 0.00 H new ATOM 604 N SER A 35 3.795 -10.931 -11.657 1.00 0.00 N ATOM 605 CA SER A 35 3.984 -10.806 -13.091 1.00 0.00 C ATOM 606 C SER A 35 2.678 -10.906 -13.889 1.00 0.00 C ATOM 607 O SER A 35 2.623 -10.422 -15.015 1.00 0.00 O ATOM 608 CB SER A 35 5.034 -11.825 -13.538 1.00 0.00 C ATOM 609 OG SER A 35 6.207 -11.670 -12.754 1.00 0.00 O ATOM 0 H SER A 35 4.176 -11.790 -11.260 1.00 0.00 H new ATOM 0 HA SER A 35 4.347 -9.801 -13.307 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.643 -12.837 -13.431 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.268 -11.684 -14.593 1.00 0.00 H new ATOM 0 HG SER A 35 6.262 -12.398 -12.100 1.00 0.00 H new ATOM 615 N LYS A 36 1.650 -11.561 -13.342 1.00 0.00 N ATOM 616 CA LYS A 36 0.304 -11.623 -13.884 1.00 0.00 C ATOM 617 C LYS A 36 -0.590 -12.330 -12.878 1.00 0.00 C ATOM 618 O LYS A 36 -0.925 -11.730 -11.866 1.00 0.00 O ATOM 619 CB LYS A 36 0.300 -12.279 -15.277 1.00 0.00 C ATOM 620 CG LYS A 36 1.240 -13.487 -15.473 1.00 0.00 C ATOM 621 CD LYS A 36 0.833 -14.359 -16.678 1.00 0.00 C ATOM 622 CE LYS A 36 -0.393 -15.244 -16.374 1.00 0.00 C ATOM 623 NZ LYS A 36 -0.770 -16.140 -17.493 1.00 0.00 N ATOM 0 H LYS A 36 1.745 -12.083 -12.471 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.093 -10.620 -14.038 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.718 -12.599 -15.500 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.564 -11.519 -16.013 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.260 -13.131 -15.614 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.237 -14.097 -14.569 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.612 -13.716 -17.530 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.673 -14.992 -16.965 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.185 -15.848 -15.491 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.241 -14.604 -16.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.600 -16.705 -17.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.999 -15.570 -18.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.024 -16.775 -17.712 1.00 0.00 H new ATOM 637 N GLU A 37 -0.911 -13.600 -13.150 1.00 0.00 N ATOM 638 CA GLU A 37 -1.791 -14.464 -12.380 1.00 0.00 C ATOM 639 C GLU A 37 -1.682 -14.163 -10.893 1.00 0.00 C ATOM 640 O GLU A 37 -2.686 -13.886 -10.250 1.00 0.00 O ATOM 641 CB GLU A 37 -1.363 -15.906 -12.667 1.00 0.00 C ATOM 642 CG GLU A 37 -2.218 -16.960 -11.955 1.00 0.00 C ATOM 643 CD GLU A 37 -1.343 -17.817 -11.073 1.00 0.00 C ATOM 644 OE1 GLU A 37 -0.439 -18.459 -11.648 1.00 0.00 O ATOM 645 OE2 GLU A 37 -1.518 -17.782 -9.842 1.00 0.00 O ATOM 0 H GLU A 37 -0.534 -14.076 -13.970 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.831 -14.301 -12.663 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.408 -16.081 -13.742 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.323 -16.033 -12.367 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.988 -16.473 -11.356 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.731 -17.582 -12.689 1.00 0.00 H new ATOM 652 N GLU A 38 -0.446 -14.192 -10.388 1.00 0.00 N ATOM 653 CA GLU A 38 -0.123 -13.956 -8.997 1.00 0.00 C ATOM 654 C GLU A 38 -0.957 -12.844 -8.384 1.00 0.00 C ATOM 655 O GLU A 38 -1.431 -12.997 -7.273 1.00 0.00 O ATOM 656 CB GLU A 38 1.365 -13.618 -8.846 1.00 0.00 C ATOM 657 CG GLU A 38 1.919 -14.192 -7.539 1.00 0.00 C ATOM 658 CD GLU A 38 1.939 -15.702 -7.607 1.00 0.00 C ATOM 659 OE1 GLU A 38 2.799 -16.206 -8.359 1.00 0.00 O ATOM 660 OE2 GLU A 38 1.075 -16.328 -6.954 1.00 0.00 O ATOM 0 H GLU A 38 0.375 -14.387 -10.961 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.354 -14.877 -8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.922 -14.021 -9.691 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.501 -12.537 -8.861 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.926 -13.814 -7.364 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.305 -13.865 -6.699 1.00 0.00 H new ATOM 667 N ARG A 39 -1.106 -11.720 -9.077 1.00 0.00 N ATOM 668 CA ARG A 39 -1.879 -10.599 -8.587 1.00 0.00 C ATOM 669 C ARG A 39 -3.304 -11.050 -8.273 1.00 0.00 C ATOM 670 O ARG A 39 -3.738 -10.996 -7.122 1.00 0.00 O ATOM 671 CB ARG A 39 -1.858 -9.495 -9.668 1.00 0.00 C ATOM 672 CG ARG A 39 -2.633 -8.218 -9.312 1.00 0.00 C ATOM 673 CD ARG A 39 -2.849 -7.337 -10.561 1.00 0.00 C ATOM 674 NE ARG A 39 -4.080 -7.708 -11.308 1.00 0.00 N ATOM 675 CZ ARG A 39 -5.159 -6.914 -11.499 1.00 0.00 C ATOM 676 NH1 ARG A 39 -5.080 -5.601 -11.278 1.00 0.00 N ATOM 677 NH2 ARG A 39 -6.345 -7.388 -11.860 1.00 0.00 N ATOM 0 H ARG A 39 -0.691 -11.567 -9.996 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.452 -10.205 -7.665 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.821 -9.227 -9.871 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.268 -9.905 -10.591 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.597 -8.482 -8.878 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.086 -7.655 -8.555 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.911 -6.292 -10.259 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.986 -7.427 -11.220 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.114 -8.644 -11.712 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.202 -5.189 -10.963 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.898 -5.009 -11.424 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.471 -8.390 -12.005 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.130 -6.751 -11.992 1.00 0.00 H new ATOM 691 N GLU A 40 -4.007 -11.476 -9.317 1.00 0.00 N ATOM 692 CA GLU A 40 -5.400 -11.898 -9.290 1.00 0.00 C ATOM 693 C GLU A 40 -5.546 -12.910 -8.151 1.00 0.00 C ATOM 694 O GLU A 40 -6.338 -12.744 -7.221 1.00 0.00 O ATOM 695 CB GLU A 40 -5.704 -12.561 -10.638 1.00 0.00 C ATOM 696 CG GLU A 40 -6.701 -11.769 -11.487 1.00 0.00 C ATOM 697 CD GLU A 40 -6.031 -10.552 -12.113 1.00 0.00 C ATOM 698 OE1 GLU A 40 -4.853 -10.267 -11.800 1.00 0.00 O ATOM 699 OE2 GLU A 40 -6.717 -9.841 -12.873 1.00 0.00 O ATOM 0 H GLU A 40 -3.599 -11.539 -10.250 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.086 -11.066 -9.131 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.775 -12.679 -11.196 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.100 -13.561 -10.463 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.108 -12.409 -12.270 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.540 -11.450 -10.868 1.00 0.00 H new ATOM 706 N THR A 41 -4.711 -13.941 -8.247 1.00 0.00 N ATOM 707 CA THR A 41 -4.538 -14.997 -7.278 1.00 0.00 C ATOM 708 C THR A 41 -4.477 -14.403 -5.880 1.00 0.00 C ATOM 709 O THR A 41 -5.251 -14.791 -5.020 1.00 0.00 O ATOM 710 CB THR A 41 -3.278 -15.798 -7.654 1.00 0.00 C ATOM 711 OG1 THR A 41 -3.639 -16.965 -8.367 1.00 0.00 O ATOM 712 CG2 THR A 41 -2.354 -16.138 -6.488 1.00 0.00 C ATOM 0 H THR A 41 -4.103 -14.060 -9.058 1.00 0.00 H new ATOM 0 HA THR A 41 -5.383 -15.686 -7.283 1.00 0.00 H new ATOM 0 HB THR A 41 -2.689 -15.135 -8.288 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.895 -17.240 -8.942 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.497 -16.702 -6.856 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.008 -15.218 -6.018 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.896 -16.737 -5.757 1.00 0.00 H new ATOM 720 N LEU A 42 -3.551 -13.478 -5.628 1.00 0.00 N ATOM 721 CA LEU A 42 -3.262 -13.031 -4.279 1.00 0.00 C ATOM 722 C LEU A 42 -4.524 -12.411 -3.715 1.00 0.00 C ATOM 723 O LEU A 42 -4.849 -12.628 -2.555 1.00 0.00 O ATOM 724 CB LEU A 42 -2.090 -12.028 -4.237 1.00 0.00 C ATOM 725 CG LEU A 42 -1.075 -12.339 -3.127 1.00 0.00 C ATOM 726 CD1 LEU A 42 0.219 -11.576 -3.408 1.00 0.00 C ATOM 727 CD2 LEU A 42 -1.561 -11.927 -1.738 1.00 0.00 C ATOM 0 H LEU A 42 -2.989 -13.026 -6.349 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.952 -13.884 -3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.580 -12.033 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.484 -11.022 -4.090 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.928 -13.419 -3.130 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.946 -11.791 -2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.622 -11.886 -4.372 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.013 -10.506 -3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.799 -12.173 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.749 -10.853 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.482 -12.460 -1.502 1.00 0.00 H new ATOM 739 N VAL A 43 -5.210 -11.598 -4.511 1.00 0.00 N ATOM 740 CA VAL A 43 -6.447 -10.991 -4.055 1.00 0.00 C ATOM 741 C VAL A 43 -7.463 -12.068 -3.663 1.00 0.00 C ATOM 742 O VAL A 43 -7.887 -12.080 -2.510 1.00 0.00 O ATOM 743 CB VAL A 43 -6.929 -9.915 -5.036 1.00 0.00 C ATOM 744 CG1 VAL A 43 -8.133 -9.198 -4.411 1.00 0.00 C ATOM 745 CG2 VAL A 43 -5.833 -8.855 -5.193 1.00 0.00 C ATOM 0 H VAL A 43 -4.933 -11.349 -5.461 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.281 -10.436 -3.132 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.176 -10.378 -5.991 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.492 -8.428 -5.093 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.930 -9.919 -4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.834 -8.738 -3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.168 -8.086 -5.889 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.624 -8.401 -4.224 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.927 -9.323 -5.578 1.00 0.00 H new ATOM 755 N GLU A 44 -7.790 -13.005 -4.556 1.00 0.00 N ATOM 756 CA GLU A 44 -8.681 -14.122 -4.237 1.00 0.00 C ATOM 757 C GLU A 44 -8.222 -14.835 -2.961 1.00 0.00 C ATOM 758 O GLU A 44 -8.937 -14.871 -1.961 1.00 0.00 O ATOM 759 CB GLU A 44 -8.747 -15.075 -5.447 1.00 0.00 C ATOM 760 CG GLU A 44 -9.196 -16.524 -5.174 1.00 0.00 C ATOM 761 CD GLU A 44 -10.483 -16.666 -4.378 1.00 0.00 C ATOM 762 OE1 GLU A 44 -11.245 -15.686 -4.267 1.00 0.00 O ATOM 763 OE2 GLU A 44 -10.731 -17.772 -3.853 1.00 0.00 O ATOM 0 H GLU A 44 -7.446 -13.011 -5.516 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.686 -13.750 -4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.426 -14.643 -6.182 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.759 -15.108 -5.907 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.321 -17.034 -6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.398 -17.039 -4.639 1.00 0.00 H new ATOM 770 N GLU A 45 -7.017 -15.403 -2.995 1.00 0.00 N ATOM 771 CA GLU A 45 -6.477 -16.244 -1.943 1.00 0.00 C ATOM 772 C GLU A 45 -6.566 -15.478 -0.616 1.00 0.00 C ATOM 773 O GLU A 45 -6.928 -16.050 0.417 1.00 0.00 O ATOM 774 CB GLU A 45 -5.028 -16.646 -2.269 1.00 0.00 C ATOM 775 CG GLU A 45 -4.887 -18.149 -2.540 1.00 0.00 C ATOM 776 CD GLU A 45 -3.444 -18.599 -2.635 1.00 0.00 C ATOM 777 OE1 GLU A 45 -2.649 -18.022 -3.408 1.00 0.00 O ATOM 778 OE2 GLU A 45 -3.110 -19.560 -1.910 1.00 0.00 O ATOM 0 H GLU A 45 -6.377 -15.284 -3.780 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.054 -17.165 -1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.686 -16.088 -3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.380 -16.367 -1.438 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.384 -18.704 -1.744 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.401 -18.395 -3.469 1.00 0.00 H new ATOM 785 N CYS A 46 -6.221 -14.188 -0.653 1.00 0.00 N ATOM 786 CA CYS A 46 -6.262 -13.332 0.524 1.00 0.00 C ATOM 787 C CYS A 46 -7.680 -13.215 1.026 1.00 0.00 C ATOM 788 O CYS A 46 -7.969 -13.593 2.155 1.00 0.00 O ATOM 789 CB CYS A 46 -5.692 -11.928 0.281 1.00 0.00 C ATOM 790 SG CYS A 46 -5.179 -11.259 1.876 1.00 0.00 S ATOM 0 H CYS A 46 -5.907 -13.714 -1.500 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.626 -13.808 1.270 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.846 -11.972 -0.405 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.442 -11.285 -0.180 1.00 0.00 H new ATOM 0 HG CYS A 46 -6.230 -11.000 2.596 1.00 0.00 H new ATOM 796 N ASN A 47 -8.562 -12.703 0.173 1.00 0.00 N ATOM 797 CA ASN A 47 -9.964 -12.444 0.452 1.00 0.00 C ATOM 798 C ASN A 47 -10.622 -13.674 1.057 1.00 0.00 C ATOM 799 O ASN A 47 -11.289 -13.576 2.085 1.00 0.00 O ATOM 800 CB ASN A 47 -10.682 -12.019 -0.840 1.00 0.00 C ATOM 801 CG ASN A 47 -10.664 -10.507 -1.024 1.00 0.00 C ATOM 802 OD1 ASN A 47 -9.976 -9.968 -1.879 1.00 0.00 O ATOM 803 ND2 ASN A 47 -11.422 -9.780 -0.211 1.00 0.00 N ATOM 0 H ASN A 47 -8.301 -12.446 -0.779 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.039 -11.633 1.176 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.203 -12.495 -1.696 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.714 -12.370 -0.815 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.433 -8.764 -0.297 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.993 -10.238 0.499 1.00 0.00 H new ATOM 810 N ARG A 48 -10.417 -14.833 0.440 1.00 0.00 N ATOM 811 CA ARG A 48 -10.922 -16.105 0.916 1.00 0.00 C ATOM 812 C ARG A 48 -10.460 -16.324 2.355 1.00 0.00 C ATOM 813 O ARG A 48 -11.275 -16.461 3.266 1.00 0.00 O ATOM 814 CB ARG A 48 -10.421 -17.216 -0.011 1.00 0.00 C ATOM 815 CG ARG A 48 -11.086 -18.550 0.335 1.00 0.00 C ATOM 816 CD ARG A 48 -10.458 -19.684 -0.473 1.00 0.00 C ATOM 817 NE ARG A 48 -9.098 -20.004 -0.014 1.00 0.00 N ATOM 818 CZ ARG A 48 -8.444 -21.140 -0.292 1.00 0.00 C ATOM 819 NH1 ARG A 48 -8.999 -22.072 -1.061 1.00 0.00 N ATOM 820 NH2 ARG A 48 -7.227 -21.321 0.212 1.00 0.00 N ATOM 0 H ARG A 48 -9.882 -14.910 -0.425 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.012 -16.115 0.907 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.635 -16.955 -1.048 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.339 -17.310 0.077 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -10.978 -18.752 1.401 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.155 -18.495 0.127 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.084 -20.573 -0.397 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -10.428 -19.405 -1.526 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.617 -19.310 0.558 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.932 -21.926 -1.446 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.492 -22.933 -1.266 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.806 -20.601 0.800 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.714 -22.180 0.011 1.00 0.00 H new ATOM 834 N ALA A 49 -9.143 -16.335 2.566 1.00 0.00 N ATOM 835 CA ALA A 49 -8.574 -16.509 3.897 1.00 0.00 C ATOM 836 C ALA A 49 -9.064 -15.426 4.857 1.00 0.00 C ATOM 837 O ALA A 49 -9.124 -15.659 6.065 1.00 0.00 O ATOM 838 CB ALA A 49 -7.046 -16.506 3.826 1.00 0.00 C ATOM 0 H ALA A 49 -8.450 -16.225 1.826 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.908 -17.473 4.281 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.635 -16.637 4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.710 -17.322 3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.703 -15.557 3.414 1.00 0.00 H new ATOM 844 N GLU A 50 -9.408 -14.246 4.342 1.00 0.00 N ATOM 845 CA GLU A 50 -9.793 -13.124 5.167 1.00 0.00 C ATOM 846 C GLU A 50 -11.240 -13.307 5.608 1.00 0.00 C ATOM 847 O GLU A 50 -11.595 -12.938 6.723 1.00 0.00 O ATOM 848 CB GLU A 50 -9.551 -11.805 4.424 1.00 0.00 C ATOM 849 CG GLU A 50 -8.832 -10.751 5.279 1.00 0.00 C ATOM 850 CD GLU A 50 -7.992 -9.870 4.378 1.00 0.00 C ATOM 851 OE1 GLU A 50 -6.862 -10.327 4.092 1.00 0.00 O ATOM 852 OE2 GLU A 50 -8.495 -8.810 3.961 1.00 0.00 O ATOM 0 H GLU A 50 -9.425 -14.051 3.341 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.177 -13.081 6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.960 -12.003 3.530 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.508 -11.402 4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.559 -10.148 5.822 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.201 -11.237 6.023 1.00 0.00 H new ATOM 859 N CYS A 51 -12.083 -13.911 4.770 1.00 0.00 N ATOM 860 CA CYS A 51 -13.448 -14.230 5.175 1.00 0.00 C ATOM 861 C CYS A 51 -13.431 -15.003 6.491 1.00 0.00 C ATOM 862 O CYS A 51 -14.139 -14.655 7.437 1.00 0.00 O ATOM 863 CB CYS A 51 -14.241 -14.939 4.064 1.00 0.00 C ATOM 864 SG CYS A 51 -14.388 -16.730 4.258 1.00 0.00 S ATOM 0 H CYS A 51 -11.846 -14.186 3.817 1.00 0.00 H new ATOM 0 HA CYS A 51 -13.985 -13.297 5.347 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -15.242 -14.509 4.021 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -13.763 -14.730 3.107 1.00 0.00 H new ATOM 0 HG CYS A 51 -15.343 -16.999 5.098 1.00 0.00 H new ATOM 870 N ILE A 52 -12.509 -15.954 6.603 1.00 0.00 N ATOM 871 CA ILE A 52 -12.375 -16.871 7.719 1.00 0.00 C ATOM 872 C ILE A 52 -12.002 -16.109 8.994 1.00 0.00 C ATOM 873 O ILE A 52 -12.245 -16.584 10.103 1.00 0.00 O ATOM 874 CB ILE A 52 -11.353 -17.953 7.326 1.00 0.00 C ATOM 875 CG1 ILE A 52 -11.878 -18.726 6.100 1.00 0.00 C ATOM 876 CG2 ILE A 52 -11.045 -18.900 8.490 1.00 0.00 C ATOM 877 CD1 ILE A 52 -10.964 -19.863 5.646 1.00 0.00 C ATOM 0 H ILE A 52 -11.804 -16.110 5.882 1.00 0.00 H new ATOM 0 HA ILE A 52 -13.320 -17.366 7.942 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.413 -17.465 7.069 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -12.861 -19.135 6.334 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -12.012 -18.028 5.273 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.320 -19.647 8.169 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.634 -18.330 9.324 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.962 -19.397 8.807 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -11.402 -20.358 4.779 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.987 -19.460 5.378 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.850 -20.583 6.456 1.00 0.00 H new ATOM 889 N GLN A 53 -11.398 -14.926 8.857 1.00 0.00 N ATOM 890 CA GLN A 53 -11.122 -14.069 10.006 1.00 0.00 C ATOM 891 C GLN A 53 -12.346 -13.969 10.931 1.00 0.00 C ATOM 892 O GLN A 53 -12.203 -14.099 12.151 1.00 0.00 O ATOM 893 CB GLN A 53 -10.695 -12.656 9.586 1.00 0.00 C ATOM 894 CG GLN A 53 -9.392 -12.583 8.772 1.00 0.00 C ATOM 895 CD GLN A 53 -8.321 -11.775 9.489 1.00 0.00 C ATOM 896 OE1 GLN A 53 -7.538 -12.317 10.263 1.00 0.00 O ATOM 897 NE2 GLN A 53 -8.291 -10.464 9.284 1.00 0.00 N ATOM 0 H GLN A 53 -11.092 -14.543 7.962 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.296 -14.535 10.543 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -11.498 -12.210 8.998 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.580 -12.047 10.482 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.023 -13.592 8.586 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.596 -12.134 7.800 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.951 -10.034 8.636 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.608 -9.887 9.774 1.00 0.00 H new ATOM 906 N ARG A 54 -13.532 -13.704 10.375 1.00 0.00 N ATOM 907 CA ARG A 54 -14.754 -13.509 11.145 1.00 0.00 C ATOM 908 C ARG A 54 -15.843 -14.468 10.667 1.00 0.00 C ATOM 909 O ARG A 54 -16.554 -15.057 11.483 1.00 0.00 O ATOM 910 CB ARG A 54 -15.209 -12.051 11.022 1.00 0.00 C ATOM 911 CG ARG A 54 -14.395 -11.124 11.943 1.00 0.00 C ATOM 912 CD ARG A 54 -14.688 -9.644 11.654 1.00 0.00 C ATOM 913 NE ARG A 54 -16.110 -9.403 11.380 1.00 0.00 N ATOM 914 CZ ARG A 54 -17.102 -9.370 12.278 1.00 0.00 C ATOM 915 NH1 ARG A 54 -16.831 -9.298 13.581 1.00 0.00 N ATOM 916 NH2 ARG A 54 -18.362 -9.463 11.859 1.00 0.00 N ATOM 0 H ARG A 54 -13.667 -13.619 9.368 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.559 -13.726 12.195 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -15.103 -11.722 9.988 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -16.267 -11.977 11.273 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.630 -11.346 12.984 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.331 -11.318 11.808 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.377 -9.041 12.507 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.095 -9.318 10.800 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.368 -9.245 10.406 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.862 -9.268 13.900 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.592 -9.273 14.260 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.563 -9.558 10.863 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -19.127 -9.439 12.533 1.00 0.00 H new ATOM 930 N GLY A 55 -15.992 -14.605 9.358 1.00 0.00 N ATOM 931 CA GLY A 55 -16.874 -15.557 8.720 1.00 0.00 C ATOM 932 C GLY A 55 -17.193 -15.045 7.320 1.00 0.00 C ATOM 933 O GLY A 55 -16.738 -15.611 6.328 1.00 0.00 O ATOM 0 H GLY A 55 -15.479 -14.031 8.689 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.401 -16.538 8.668 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.790 -15.675 9.300 1.00 0.00 H new ATOM 937 N VAL A 56 -17.968 -13.958 7.246 1.00 0.00 N ATOM 938 CA VAL A 56 -18.495 -13.396 5.999 1.00 0.00 C ATOM 939 C VAL A 56 -19.342 -14.449 5.235 1.00 0.00 C ATOM 940 O VAL A 56 -19.382 -15.619 5.633 1.00 0.00 O ATOM 941 CB VAL A 56 -17.313 -12.751 5.232 1.00 0.00 C ATOM 942 CG1 VAL A 56 -17.227 -13.038 3.739 1.00 0.00 C ATOM 943 CG2 VAL A 56 -17.290 -11.232 5.413 1.00 0.00 C ATOM 0 H VAL A 56 -18.253 -13.432 8.072 1.00 0.00 H new ATOM 0 HA VAL A 56 -19.212 -12.593 6.169 1.00 0.00 H new ATOM 0 HB VAL A 56 -16.451 -13.235 5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -16.358 -12.530 3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -17.131 -14.112 3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -18.130 -12.678 3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -16.448 -10.813 4.862 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -18.220 -10.806 5.035 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -17.186 -10.993 6.471 1.00 0.00 H new ATOM 953 N SER A 57 -20.074 -14.073 4.180 1.00 0.00 N ATOM 954 CA SER A 57 -20.585 -15.053 3.224 1.00 0.00 C ATOM 955 C SER A 57 -19.402 -15.470 2.351 1.00 0.00 C ATOM 956 O SER A 57 -18.794 -14.593 1.737 1.00 0.00 O ATOM 957 CB SER A 57 -21.711 -14.476 2.353 1.00 0.00 C ATOM 958 OG SER A 57 -22.923 -15.177 2.545 1.00 0.00 O ATOM 0 H SER A 57 -20.322 -13.106 3.971 1.00 0.00 H new ATOM 0 HA SER A 57 -21.014 -15.902 3.756 1.00 0.00 H new ATOM 0 HB2 SER A 57 -21.856 -13.423 2.594 1.00 0.00 H new ATOM 0 HB3 SER A 57 -21.423 -14.526 1.303 1.00 0.00 H new ATOM 0 HG SER A 57 -23.621 -14.786 1.979 1.00 0.00 H new ATOM 964 N PRO A 58 -19.060 -16.762 2.267 1.00 0.00 N ATOM 965 CA PRO A 58 -17.845 -17.206 1.602 1.00 0.00 C ATOM 966 C PRO A 58 -17.791 -16.708 0.160 1.00 0.00 C ATOM 967 O PRO A 58 -16.774 -16.197 -0.304 1.00 0.00 O ATOM 968 CB PRO A 58 -17.862 -18.732 1.696 1.00 0.00 C ATOM 969 CG PRO A 58 -19.339 -19.082 1.894 1.00 0.00 C ATOM 970 CD PRO A 58 -19.870 -17.891 2.691 1.00 0.00 C ATOM 0 HA PRO A 58 -16.949 -16.801 2.073 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -17.462 -19.191 0.792 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.254 -19.086 2.529 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.858 -19.195 0.942 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.463 -20.019 2.437 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -20.926 -17.718 2.485 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -19.778 -18.062 3.764 1.00 0.00 H new ATOM 978 N SER A 59 -18.912 -16.815 -0.542 1.00 0.00 N ATOM 979 CA SER A 59 -19.055 -16.422 -1.933 1.00 0.00 C ATOM 980 C SER A 59 -19.303 -14.915 -2.074 1.00 0.00 C ATOM 981 O SER A 59 -19.736 -14.456 -3.127 1.00 0.00 O ATOM 982 CB SER A 59 -20.219 -17.242 -2.500 1.00 0.00 C ATOM 983 OG SER A 59 -21.250 -17.314 -1.521 1.00 0.00 O ATOM 0 H SER A 59 -19.773 -17.190 -0.144 1.00 0.00 H new ATOM 0 HA SER A 59 -18.137 -16.619 -2.486 1.00 0.00 H new ATOM 0 HB2 SER A 59 -20.597 -16.780 -3.412 1.00 0.00 H new ATOM 0 HB3 SER A 59 -19.881 -18.243 -2.766 1.00 0.00 H new ATOM 0 HG SER A 59 -22.001 -17.835 -1.874 1.00 0.00 H new ATOM 989 N GLN A 60 -19.053 -14.135 -1.023 1.00 0.00 N ATOM 990 CA GLN A 60 -19.225 -12.698 -1.002 1.00 0.00 C ATOM 991 C GLN A 60 -18.102 -12.141 -0.136 1.00 0.00 C ATOM 992 O GLN A 60 -18.363 -11.410 0.823 1.00 0.00 O ATOM 993 CB GLN A 60 -20.606 -12.368 -0.418 1.00 0.00 C ATOM 994 CG GLN A 60 -21.018 -10.904 -0.624 1.00 0.00 C ATOM 995 CD GLN A 60 -22.008 -10.490 0.456 1.00 0.00 C ATOM 996 OE1 GLN A 60 -21.664 -9.720 1.348 1.00 0.00 O ATOM 997 NE2 GLN A 60 -23.208 -11.050 0.430 1.00 0.00 N ATOM 0 H GLN A 60 -18.714 -14.507 -0.136 1.00 0.00 H new ATOM 0 HA GLN A 60 -19.179 -12.258 -1.998 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -21.352 -13.016 -0.878 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -20.604 -12.591 0.649 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -20.139 -10.261 -0.590 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -21.467 -10.778 -1.609 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -23.458 -11.685 -0.328 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -23.882 -10.846 1.168 1.00 0.00 H new ATOM 1006 N ALA A 61 -16.850 -12.474 -0.467 1.00 0.00 N ATOM 1007 CA ALA A 61 -15.710 -11.999 0.305 1.00 0.00 C ATOM 1008 C ALA A 61 -15.704 -10.472 0.398 1.00 0.00 C ATOM 1009 O ALA A 61 -15.263 -9.918 1.396 1.00 0.00 O ATOM 1010 CB ALA A 61 -14.391 -12.581 -0.211 1.00 0.00 C ATOM 0 H ALA A 61 -16.607 -13.067 -1.260 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.814 -12.368 1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.566 -12.202 0.392 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.421 -13.668 -0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.246 -12.287 -1.251 1.00 0.00 H new ATOM 1016 N GLN A 62 -16.306 -9.785 -0.577 1.00 0.00 N ATOM 1017 CA GLN A 62 -16.561 -8.348 -0.525 1.00 0.00 C ATOM 1018 C GLN A 62 -17.084 -7.864 0.838 1.00 0.00 C ATOM 1019 O GLN A 62 -16.796 -6.735 1.234 1.00 0.00 O ATOM 1020 CB GLN A 62 -17.517 -7.924 -1.652 1.00 0.00 C ATOM 1021 CG GLN A 62 -16.762 -7.280 -2.825 1.00 0.00 C ATOM 1022 CD GLN A 62 -16.285 -5.845 -2.573 1.00 0.00 C ATOM 1023 OE1 GLN A 62 -15.923 -5.148 -3.510 1.00 0.00 O ATOM 1024 NE2 GLN A 62 -16.280 -5.353 -1.336 1.00 0.00 N ATOM 0 H GLN A 62 -16.634 -10.222 -1.438 1.00 0.00 H new ATOM 0 HA GLN A 62 -15.595 -7.865 -0.669 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -18.069 -8.794 -2.008 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -18.251 -7.219 -1.261 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -15.897 -7.898 -3.065 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -17.410 -7.284 -3.702 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -16.582 -5.935 -0.555 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -15.974 -4.394 -1.170 1.00 0.00 H new ATOM 1033 N GLY A 63 -17.864 -8.688 1.539 1.00 0.00 N ATOM 1034 CA GLY A 63 -18.407 -8.371 2.849 1.00 0.00 C ATOM 1035 C GLY A 63 -17.349 -7.851 3.822 1.00 0.00 C ATOM 1036 O GLY A 63 -17.640 -6.967 4.632 1.00 0.00 O ATOM 0 H GLY A 63 -18.138 -9.610 1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -19.192 -7.623 2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.873 -9.263 3.269 1.00 0.00 H new ATOM 1040 N LEU A 64 -16.112 -8.357 3.759 1.00 0.00 N ATOM 1041 CA LEU A 64 -15.044 -7.899 4.642 1.00 0.00 C ATOM 1042 C LEU A 64 -14.439 -6.551 4.231 1.00 0.00 C ATOM 1043 O LEU A 64 -13.328 -6.246 4.642 1.00 0.00 O ATOM 1044 CB LEU A 64 -13.998 -8.998 4.885 1.00 0.00 C ATOM 1045 CG LEU A 64 -13.247 -9.443 3.626 1.00 0.00 C ATOM 1046 CD1 LEU A 64 -11.775 -9.052 3.663 1.00 0.00 C ATOM 1047 CD2 LEU A 64 -13.337 -10.959 3.472 1.00 0.00 C ATOM 0 H LEU A 64 -15.830 -9.085 3.103 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.508 -7.696 5.607 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.275 -8.639 5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.493 -9.864 5.324 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.719 -8.938 2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.286 -9.389 2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.688 -7.968 3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.296 -9.518 4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.800 -11.266 2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.892 -11.440 4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -14.383 -11.255 3.388 1.00 0.00 H new ATOM 1059 N GLY A 65 -15.180 -5.715 3.501 1.00 0.00 N ATOM 1060 CA GLY A 65 -14.844 -4.359 3.068 1.00 0.00 C ATOM 1061 C GLY A 65 -13.812 -3.585 3.904 1.00 0.00 C ATOM 1062 O GLY A 65 -12.976 -2.884 3.335 1.00 0.00 O ATOM 0 H GLY A 65 -16.105 -5.992 3.171 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.475 -4.414 2.044 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.764 -3.775 3.044 1.00 0.00 H new ATOM 1066 N SER A 66 -13.875 -3.614 5.238 1.00 0.00 N ATOM 1067 CA SER A 66 -12.921 -2.903 6.069 1.00 0.00 C ATOM 1068 C SER A 66 -11.539 -3.561 6.018 1.00 0.00 C ATOM 1069 O SER A 66 -10.520 -2.874 5.944 1.00 0.00 O ATOM 1070 CB SER A 66 -13.459 -2.852 7.501 1.00 0.00 C ATOM 1071 OG SER A 66 -13.946 -1.559 7.812 1.00 0.00 O ATOM 0 H SER A 66 -14.584 -4.128 5.761 1.00 0.00 H new ATOM 0 HA SER A 66 -12.799 -1.888 5.691 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.258 -3.584 7.620 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.669 -3.125 8.201 1.00 0.00 H new ATOM 0 HG SER A 66 -14.286 -1.550 8.731 1.00 0.00 H new ATOM 1077 N ASN A 67 -11.481 -4.886 6.115 1.00 0.00 N ATOM 1078 CA ASN A 67 -10.239 -5.635 5.922 1.00 0.00 C ATOM 1079 C ASN A 67 -9.808 -5.458 4.456 1.00 0.00 C ATOM 1080 O ASN A 67 -8.660 -5.116 4.190 1.00 0.00 O ATOM 1081 CB ASN A 67 -10.436 -7.121 6.245 1.00 0.00 C ATOM 1082 CG ASN A 67 -10.465 -7.445 7.729 1.00 0.00 C ATOM 1083 OD1 ASN A 67 -9.689 -8.262 8.222 1.00 0.00 O ATOM 1084 ND2 ASN A 67 -11.368 -6.836 8.484 1.00 0.00 N ATOM 0 H ASN A 67 -12.289 -5.471 6.329 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.470 -5.257 6.596 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.370 -7.457 5.794 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.633 -7.691 5.777 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.423 -7.044 9.481 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.008 -6.160 8.068 1.00 0.00 H new ATOM 1091 N LEU A 68 -10.784 -5.600 3.553 1.00 0.00 N ATOM 1092 CA LEU A 68 -10.663 -5.875 2.127 1.00 0.00 C ATOM 1093 C LEU A 68 -9.449 -5.275 1.426 1.00 0.00 C ATOM 1094 O LEU A 68 -9.235 -4.063 1.393 1.00 0.00 O ATOM 1095 CB LEU A 68 -11.930 -5.402 1.427 1.00 0.00 C ATOM 1096 CG LEU A 68 -12.065 -5.996 0.020 1.00 0.00 C ATOM 1097 CD1 LEU A 68 -13.194 -7.025 0.029 1.00 0.00 C ATOM 1098 CD2 LEU A 68 -12.360 -4.894 -0.999 1.00 0.00 C ATOM 0 H LEU A 68 -11.762 -5.517 3.831 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.519 -6.953 2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.799 -5.681 2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.924 -4.314 1.362 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.130 -6.477 -0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.301 -7.456 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.961 -7.815 0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -14.127 -6.539 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.453 -5.333 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.292 -4.394 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.546 -4.169 -0.997 1.00 0.00 H new ATOM 1110 N VAL A 69 -8.719 -6.176 0.776 1.00 0.00 N ATOM 1111 CA VAL A 69 -7.624 -5.915 -0.121 1.00 0.00 C ATOM 1112 C VAL A 69 -8.167 -5.462 -1.481 1.00 0.00 C ATOM 1113 O VAL A 69 -9.301 -5.758 -1.838 1.00 0.00 O ATOM 1114 CB VAL A 69 -6.809 -7.215 -0.244 1.00 0.00 C ATOM 1115 CG1 VAL A 69 -5.461 -6.953 -0.907 1.00 0.00 C ATOM 1116 CG2 VAL A 69 -6.551 -7.847 1.133 1.00 0.00 C ATOM 0 H VAL A 69 -8.899 -7.175 0.877 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.984 -5.117 0.255 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.399 -7.898 -0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.905 -7.887 -0.982 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.620 -6.544 -1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.894 -6.240 -0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.973 -8.763 1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.994 -7.147 1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.503 -8.080 1.611 1.00 0.00 H new ATOM 1126 N THR A 70 -7.335 -4.764 -2.246 1.00 0.00 N ATOM 1127 CA THR A 70 -7.505 -4.539 -3.678 1.00 0.00 C ATOM 1128 C THR A 70 -6.105 -4.601 -4.302 1.00 0.00 C ATOM 1129 O THR A 70 -5.121 -4.569 -3.561 1.00 0.00 O ATOM 1130 CB THR A 70 -8.151 -3.171 -3.914 1.00 0.00 C ATOM 1131 OG1 THR A 70 -7.429 -2.175 -3.211 1.00 0.00 O ATOM 1132 CG2 THR A 70 -9.596 -3.107 -3.417 1.00 0.00 C ATOM 0 H THR A 70 -6.494 -4.323 -1.874 1.00 0.00 H new ATOM 0 HA THR A 70 -8.156 -5.288 -4.129 1.00 0.00 H new ATOM 0 HB THR A 70 -8.136 -3.007 -4.991 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.843 -1.300 -3.365 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.004 -2.115 -3.610 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.194 -3.853 -3.940 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.622 -3.308 -2.346 1.00 0.00 H new ATOM 1140 N GLU A 71 -5.967 -4.672 -5.625 1.00 0.00 N ATOM 1141 CA GLU A 71 -4.701 -5.019 -6.260 1.00 0.00 C ATOM 1142 C GLU A 71 -3.613 -4.023 -5.873 1.00 0.00 C ATOM 1143 O GLU A 71 -2.455 -4.383 -5.688 1.00 0.00 O ATOM 1144 CB GLU A 71 -4.894 -4.923 -7.766 1.00 0.00 C ATOM 1145 CG GLU A 71 -5.743 -6.105 -8.206 1.00 0.00 C ATOM 1146 CD GLU A 71 -7.074 -5.541 -8.648 1.00 0.00 C ATOM 1147 OE1 GLU A 71 -7.749 -5.007 -7.744 1.00 0.00 O ATOM 1148 OE2 GLU A 71 -7.279 -5.498 -9.882 1.00 0.00 O ATOM 0 H GLU A 71 -6.726 -4.491 -6.282 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.406 -6.020 -5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.382 -3.984 -8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.930 -4.935 -8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.262 -6.646 -9.021 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.875 -6.813 -7.388 1.00 0.00 H new ATOM 1155 N VAL A 72 -3.966 -2.745 -5.756 1.00 0.00 N ATOM 1156 CA VAL A 72 -3.018 -1.709 -5.385 1.00 0.00 C ATOM 1157 C VAL A 72 -2.332 -2.045 -4.054 1.00 0.00 C ATOM 1158 O VAL A 72 -1.175 -1.684 -3.848 1.00 0.00 O ATOM 1159 CB VAL A 72 -3.721 -0.338 -5.392 1.00 0.00 C ATOM 1160 CG1 VAL A 72 -4.856 -0.244 -4.364 1.00 0.00 C ATOM 1161 CG2 VAL A 72 -2.731 0.812 -5.168 1.00 0.00 C ATOM 0 H VAL A 72 -4.914 -2.404 -5.916 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.216 -1.658 -6.121 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.159 -0.243 -6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.313 0.744 -4.416 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.607 -1.003 -4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.455 -0.406 -3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.267 1.761 -5.180 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.239 0.686 -4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.983 0.808 -5.961 1.00 0.00 H new ATOM 1171 N ARG A 73 -3.003 -2.760 -3.149 1.00 0.00 N ATOM 1172 CA ARG A 73 -2.364 -3.280 -1.951 1.00 0.00 C ATOM 1173 C ARG A 73 -1.234 -4.228 -2.320 1.00 0.00 C ATOM 1174 O ARG A 73 -0.117 -4.071 -1.828 1.00 0.00 O ATOM 1175 CB ARG A 73 -3.369 -4.038 -1.079 1.00 0.00 C ATOM 1176 CG ARG A 73 -4.487 -3.146 -0.530 1.00 0.00 C ATOM 1177 CD ARG A 73 -3.934 -1.944 0.242 1.00 0.00 C ATOM 1178 NE ARG A 73 -2.760 -2.302 1.055 1.00 0.00 N ATOM 1179 CZ ARG A 73 -2.067 -1.469 1.843 1.00 0.00 C ATOM 1180 NH1 ARG A 73 -2.420 -0.193 1.939 1.00 0.00 N ATOM 1181 NH2 ARG A 73 -1.044 -1.943 2.560 1.00 0.00 N ATOM 0 H ARG A 73 -3.994 -2.990 -3.229 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.970 -2.429 -1.395 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.811 -4.845 -1.664 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.840 -4.501 -0.246 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.107 -2.794 -1.354 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.131 -3.733 0.125 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.662 -1.156 -0.461 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.713 -1.539 0.889 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.446 -3.272 1.015 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.221 0.156 1.412 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.891 0.439 2.540 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.797 -2.931 2.504 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.510 -1.317 3.163 1.00 0.00 H new ATOM 1195 N VAL A 74 -1.535 -5.213 -3.162 1.00 0.00 N ATOM 1196 CA VAL A 74 -0.568 -6.190 -3.624 1.00 0.00 C ATOM 1197 C VAL A 74 0.617 -5.429 -4.235 1.00 0.00 C ATOM 1198 O VAL A 74 1.773 -5.665 -3.886 1.00 0.00 O ATOM 1199 CB VAL A 74 -1.237 -7.156 -4.625 1.00 0.00 C ATOM 1200 CG1 VAL A 74 -0.215 -8.130 -5.202 1.00 0.00 C ATOM 1201 CG2 VAL A 74 -2.356 -7.960 -3.956 1.00 0.00 C ATOM 0 H VAL A 74 -2.470 -5.352 -3.544 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.198 -6.803 -2.803 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.659 -6.548 -5.425 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.709 -8.801 -5.905 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.566 -7.573 -5.719 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.229 -8.713 -4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.808 -8.631 -4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.943 -8.544 -3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.114 -7.278 -3.572 1.00 0.00 H new ATOM 1211 N TYR A 75 0.325 -4.470 -5.118 1.00 0.00 N ATOM 1212 CA TYR A 75 1.340 -3.610 -5.701 1.00 0.00 C ATOM 1213 C TYR A 75 2.205 -3.003 -4.600 1.00 0.00 C ATOM 1214 O TYR A 75 3.422 -3.140 -4.613 1.00 0.00 O ATOM 1215 CB TYR A 75 0.713 -2.494 -6.554 1.00 0.00 C ATOM 1216 CG TYR A 75 1.755 -1.771 -7.391 1.00 0.00 C ATOM 1217 CD1 TYR A 75 2.300 -2.407 -8.522 1.00 0.00 C ATOM 1218 CD2 TYR A 75 2.337 -0.578 -6.918 1.00 0.00 C ATOM 1219 CE1 TYR A 75 3.438 -1.876 -9.152 1.00 0.00 C ATOM 1220 CE2 TYR A 75 3.468 -0.039 -7.559 1.00 0.00 C ATOM 1221 CZ TYR A 75 4.033 -0.704 -8.663 1.00 0.00 C ATOM 1222 OH TYR A 75 5.167 -0.230 -9.255 1.00 0.00 O ATOM 0 H TYR A 75 -0.622 -4.274 -5.444 1.00 0.00 H new ATOM 0 HA TYR A 75 1.961 -4.222 -6.355 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.047 -2.920 -7.209 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.209 -1.779 -5.904 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.842 -3.306 -8.907 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.914 -0.076 -6.061 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.856 -2.372 -10.016 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.902 0.884 -7.204 1.00 0.00 H new ATOM 0 HH TYR A 75 5.455 0.590 -8.801 1.00 0.00 H new ATOM 1232 N ASN A 76 1.569 -2.318 -3.651 1.00 0.00 N ATOM 1233 CA ASN A 76 2.252 -1.554 -2.618 1.00 0.00 C ATOM 1234 C ASN A 76 3.173 -2.451 -1.806 1.00 0.00 C ATOM 1235 O ASN A 76 4.326 -2.088 -1.577 1.00 0.00 O ATOM 1236 CB ASN A 76 1.263 -0.828 -1.692 1.00 0.00 C ATOM 1237 CG ASN A 76 0.906 0.563 -2.204 1.00 0.00 C ATOM 1238 OD1 ASN A 76 1.159 1.565 -1.542 1.00 0.00 O ATOM 1239 ND2 ASN A 76 0.279 0.655 -3.368 1.00 0.00 N ATOM 0 H ASN A 76 0.552 -2.280 -3.580 1.00 0.00 H new ATOM 0 HA ASN A 76 2.851 -0.795 -3.122 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.354 -1.422 -1.597 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.696 -0.746 -0.695 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.001 1.568 -3.726 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.076 -0.187 -3.906 1.00 0.00 H new ATOM 1246 N TRP A 77 2.662 -3.591 -1.338 1.00 0.00 N ATOM 1247 CA TRP A 77 3.422 -4.489 -0.483 1.00 0.00 C ATOM 1248 C TRP A 77 4.636 -5.019 -1.252 1.00 0.00 C ATOM 1249 O TRP A 77 5.762 -4.871 -0.780 1.00 0.00 O ATOM 1250 CB TRP A 77 2.528 -5.592 0.119 1.00 0.00 C ATOM 1251 CG TRP A 77 2.860 -6.998 -0.273 1.00 0.00 C ATOM 1252 CD1 TRP A 77 2.442 -7.618 -1.396 1.00 0.00 C ATOM 1253 CD2 TRP A 77 3.747 -7.948 0.385 1.00 0.00 C ATOM 1254 NE1 TRP A 77 3.076 -8.830 -1.529 1.00 0.00 N ATOM 1255 CE2 TRP A 77 3.897 -9.088 -0.458 1.00 0.00 C ATOM 1256 CE3 TRP A 77 4.435 -7.964 1.613 1.00 0.00 C ATOM 1257 CZ2 TRP A 77 4.728 -10.166 -0.128 1.00 0.00 C ATOM 1258 CZ3 TRP A 77 5.207 -9.076 1.987 1.00 0.00 C ATOM 1259 CH2 TRP A 77 5.395 -10.156 1.106 1.00 0.00 C ATOM 0 H TRP A 77 1.715 -3.912 -1.542 1.00 0.00 H new ATOM 0 HA TRP A 77 3.804 -3.942 0.379 1.00 0.00 H new ATOM 0 HB2 TRP A 77 2.577 -5.518 1.205 1.00 0.00 H new ATOM 0 HB3 TRP A 77 1.496 -5.391 -0.168 1.00 0.00 H new ATOM 0 HD1 TRP A 77 1.715 -7.220 -2.089 1.00 0.00 H new ATOM 0 HE1 TRP A 77 2.953 -9.459 -2.323 1.00 0.00 H new ATOM 0 HE3 TRP A 77 4.369 -7.113 2.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.853 -10.992 -0.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.663 -9.102 2.966 1.00 0.00 H new ATOM 0 HH2 TRP A 77 6.048 -10.972 1.378 1.00 0.00 H new ATOM 1270 N PHE A 78 4.430 -5.595 -2.442 1.00 0.00 N ATOM 1271 CA PHE A 78 5.538 -6.147 -3.210 1.00 0.00 C ATOM 1272 C PHE A 78 6.539 -5.033 -3.484 1.00 0.00 C ATOM 1273 O PHE A 78 7.726 -5.187 -3.226 1.00 0.00 O ATOM 1274 CB PHE A 78 5.069 -6.799 -4.521 1.00 0.00 C ATOM 1275 CG PHE A 78 4.492 -8.197 -4.375 1.00 0.00 C ATOM 1276 CD1 PHE A 78 5.298 -9.230 -3.859 1.00 0.00 C ATOM 1277 CD2 PHE A 78 3.225 -8.506 -4.898 1.00 0.00 C ATOM 1278 CE1 PHE A 78 4.795 -10.538 -3.765 1.00 0.00 C ATOM 1279 CE2 PHE A 78 2.745 -9.826 -4.850 1.00 0.00 C ATOM 1280 CZ PHE A 78 3.507 -10.831 -4.236 1.00 0.00 C ATOM 0 H PHE A 78 3.516 -5.688 -2.885 1.00 0.00 H new ATOM 0 HA PHE A 78 6.009 -6.939 -2.627 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.316 -6.158 -4.978 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.913 -6.841 -5.210 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.306 -9.016 -3.535 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.619 -7.728 -5.338 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.401 -11.319 -3.330 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.787 -10.067 -5.287 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.103 -11.827 -4.126 1.00 0.00 H new ATOM 1290 N ALA A 79 6.053 -3.890 -3.961 1.00 0.00 N ATOM 1291 CA ALA A 79 6.874 -2.728 -4.240 1.00 0.00 C ATOM 1292 C ALA A 79 7.628 -2.242 -3.005 1.00 0.00 C ATOM 1293 O ALA A 79 8.705 -1.654 -3.140 1.00 0.00 O ATOM 1294 CB ALA A 79 5.997 -1.606 -4.798 1.00 0.00 C ATOM 0 H ALA A 79 5.064 -3.749 -4.165 1.00 0.00 H new ATOM 0 HA ALA A 79 7.622 -3.018 -4.978 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.614 -0.732 -5.008 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.518 -1.942 -5.718 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.233 -1.343 -4.066 1.00 0.00 H new ATOM 1300 N ASN A 80 7.072 -2.441 -1.809 1.00 0.00 N ATOM 1301 CA ASN A 80 7.778 -2.134 -0.575 1.00 0.00 C ATOM 1302 C ASN A 80 8.912 -3.121 -0.413 1.00 0.00 C ATOM 1303 O ASN A 80 10.075 -2.734 -0.325 1.00 0.00 O ATOM 1304 CB ASN A 80 6.856 -2.156 0.648 1.00 0.00 C ATOM 1305 CG ASN A 80 7.514 -1.446 1.826 1.00 0.00 C ATOM 1306 OD1 ASN A 80 7.110 -0.342 2.177 1.00 0.00 O ATOM 1307 ND2 ASN A 80 8.530 -2.020 2.454 1.00 0.00 N ATOM 0 H ASN A 80 6.132 -2.814 -1.674 1.00 0.00 H new ATOM 0 HA ASN A 80 8.168 -1.118 -0.641 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.910 -1.672 0.406 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.626 -3.186 0.919 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.982 -1.544 3.235 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.860 -2.938 2.157 1.00 0.00 H new ATOM 1314 N ARG A 81 8.592 -4.408 -0.518 1.00 0.00 N ATOM 1315 CA ARG A 81 9.560 -5.494 -0.555 1.00 0.00 C ATOM 1316 C ARG A 81 10.332 -5.545 -1.892 1.00 0.00 C ATOM 1317 O ARG A 81 10.747 -6.618 -2.336 1.00 0.00 O ATOM 1318 CB ARG A 81 8.827 -6.810 -0.274 1.00 0.00 C ATOM 1319 CG ARG A 81 8.054 -6.814 1.055 1.00 0.00 C ATOM 1320 CD ARG A 81 8.550 -7.933 1.977 1.00 0.00 C ATOM 1321 NE ARG A 81 9.945 -7.709 2.378 1.00 0.00 N ATOM 1322 CZ ARG A 81 10.769 -8.598 2.952 1.00 0.00 C ATOM 1323 NH1 ARG A 81 10.344 -9.806 3.299 1.00 0.00 N ATOM 1324 NH2 ARG A 81 12.023 -8.224 3.194 1.00 0.00 N ATOM 0 H ARG A 81 7.626 -4.730 -0.581 1.00 0.00 H new ATOM 0 HA ARG A 81 10.314 -5.324 0.214 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.132 -7.010 -1.089 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.551 -7.625 -0.266 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.172 -5.851 1.551 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.989 -6.944 0.860 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.918 -7.985 2.863 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.465 -8.893 1.468 1.00 0.00 H new ATOM 0 HE ARG A 81 10.327 -6.780 2.201 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.374 -10.073 3.130 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.987 -10.467 3.734 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.332 -7.285 2.944 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.675 -8.877 3.630 1.00 0.00 H new ATOM 1338 N ARG A 82 10.542 -4.386 -2.522 1.00 0.00 N ATOM 1339 CA ARG A 82 11.563 -4.133 -3.511 1.00 0.00 C ATOM 1340 C ARG A 82 12.505 -3.148 -2.858 1.00 0.00 C ATOM 1341 O ARG A 82 13.643 -3.472 -2.542 1.00 0.00 O ATOM 1342 CB ARG A 82 10.991 -3.499 -4.784 1.00 0.00 C ATOM 1343 CG ARG A 82 10.068 -4.406 -5.586 1.00 0.00 C ATOM 1344 CD ARG A 82 10.861 -5.371 -6.470 1.00 0.00 C ATOM 1345 NE ARG A 82 11.341 -6.538 -5.723 1.00 0.00 N ATOM 1346 CZ ARG A 82 11.885 -7.627 -6.288 1.00 0.00 C ATOM 1347 NH1 ARG A 82 11.810 -7.803 -7.608 1.00 0.00 N ATOM 1348 NH2 ARG A 82 12.505 -8.517 -5.520 1.00 0.00 N ATOM 0 H ARG A 82 9.968 -3.563 -2.338 1.00 0.00 H new ATOM 0 HA ARG A 82 12.042 -5.065 -3.811 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.444 -2.597 -4.510 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.818 -3.189 -5.423 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.432 -4.973 -4.906 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.409 -3.799 -6.207 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.233 -5.704 -7.296 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.711 -4.846 -6.907 1.00 0.00 H new ATOM 0 HE ARG A 82 11.256 -6.521 -4.707 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.339 -7.110 -8.189 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.224 -8.631 -8.036 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.563 -8.368 -4.513 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.922 -9.349 -5.938 1.00 0.00 H new