USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 728 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 57 GLN : amide:sc= -0.15 K(o=1.1,f=-3.7!) USER MOD Set 1.2: A 79 SER OG : rot -67:sc= 1.22 USER MOD Single : A 20 GLN : amide:sc=-0.00794 X(o=-0.0079,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc=-0.00176 X(o=-0.0018,f=0) USER MOD Single : A 46 THR OG1 : rot -100:sc= 0.0238 USER MOD Single : A 47 GLN : amide:sc= -0.0795 X(o=-0.079,f=-0.41) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0106) USER MOD Single : A 53 CYS SG : rot -20:sc= -13.3! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -3.13! C(o=-3.1!,f=-9.9!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc=-0.00424 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -6.57! C(o=-6.6!,f=-9.3!) USER MOD Single : A 77 ASN : amide:sc=-0.00318 X(o=-0.0032,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0373 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 203 N LEU A 17 -5.086 -6.482 -2.070 1.00 0.00 N ATOM 204 CA LEU A 17 -3.869 -5.719 -1.852 1.00 0.00 C ATOM 205 C LEU A 17 -3.879 -5.145 -0.434 1.00 0.00 C ATOM 206 O LEU A 17 -4.910 -4.669 0.040 1.00 0.00 O ATOM 207 CB LEU A 17 -3.698 -4.660 -2.943 1.00 0.00 C ATOM 208 CG LEU A 17 -3.413 -5.188 -4.351 1.00 0.00 C ATOM 209 CD1 LEU A 17 -4.134 -4.348 -5.407 1.00 0.00 C ATOM 210 CD2 LEU A 17 -1.908 -5.267 -4.612 1.00 0.00 C ATOM 0 HA LEU A 17 -2.995 -6.366 -1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.604 -4.055 -2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.883 -3.997 -2.653 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.806 -6.202 -4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.915 -4.744 -6.399 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.209 -4.386 -5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.792 -3.315 -5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.733 -5.645 -5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.469 -4.274 -4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.448 -5.939 -3.887 1.00 0.00 H new ATOM 222 N TRP A 18 -2.719 -5.209 0.204 1.00 0.00 N ATOM 223 CA TRP A 18 -2.582 -4.701 1.558 1.00 0.00 C ATOM 224 C TRP A 18 -1.095 -4.451 1.820 1.00 0.00 C ATOM 225 O TRP A 18 -0.238 -4.999 1.129 1.00 0.00 O ATOM 226 CB TRP A 18 -3.214 -5.659 2.570 1.00 0.00 C ATOM 227 CG TRP A 18 -2.809 -7.122 2.378 1.00 0.00 C ATOM 228 CD1 TRP A 18 -3.435 -8.064 1.659 1.00 0.00 C ATOM 229 CD2 TRP A 18 -1.655 -7.777 2.946 1.00 0.00 C ATOM 230 NE1 TRP A 18 -2.772 -9.273 1.722 1.00 0.00 N ATOM 231 CE2 TRP A 18 -1.655 -9.092 2.529 1.00 0.00 C ATOM 232 CE3 TRP A 18 -0.645 -7.274 3.784 1.00 0.00 C ATOM 233 CZ2 TRP A 18 -0.669 -10.014 2.900 1.00 0.00 C ATOM 234 CZ3 TRP A 18 0.334 -8.207 4.146 1.00 0.00 C ATOM 235 CH2 TRP A 18 0.348 -9.535 3.735 1.00 0.00 C ATOM 0 H TRP A 18 -1.866 -5.605 -0.192 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.120 -3.760 1.673 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.935 -5.344 3.576 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.299 -5.581 2.501 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.344 -7.898 1.100 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.050 -10.139 1.261 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.626 -6.248 4.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.691 -11.039 2.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.134 -7.872 4.789 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.140 -10.194 4.058 1.00 0.00 H new ATOM 246 N LEU A 19 -0.835 -3.622 2.821 1.00 0.00 N ATOM 247 CA LEU A 19 0.533 -3.292 3.183 1.00 0.00 C ATOM 248 C LEU A 19 0.961 -4.148 4.377 1.00 0.00 C ATOM 249 O LEU A 19 0.138 -4.494 5.223 1.00 0.00 O ATOM 250 CB LEU A 19 0.676 -1.788 3.421 1.00 0.00 C ATOM 251 CG LEU A 19 0.077 -0.878 2.347 1.00 0.00 C ATOM 252 CD1 LEU A 19 0.253 -1.486 0.954 1.00 0.00 C ATOM 253 CD2 LEU A 19 -1.387 -0.559 2.653 1.00 0.00 C ATOM 0 H LEU A 19 -1.549 -3.169 3.392 1.00 0.00 H new ATOM 0 HA LEU A 19 1.212 -3.527 2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.209 -1.546 4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.736 -1.555 3.516 1.00 0.00 H new ATOM 0 HG LEU A 19 0.620 0.067 2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.181 -0.820 0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.315 -1.619 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.249 -2.453 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.789 0.089 1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.962 -1.485 2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.456 -0.054 3.617 1.00 0.00 H new ATOM 265 N GLN A 20 2.247 -4.464 4.407 1.00 0.00 N ATOM 266 CA GLN A 20 2.794 -5.273 5.484 1.00 0.00 C ATOM 267 C GLN A 20 3.765 -4.446 6.328 1.00 0.00 C ATOM 268 O GLN A 20 4.856 -4.107 5.872 1.00 0.00 O ATOM 269 CB GLN A 20 3.475 -6.528 4.935 1.00 0.00 C ATOM 270 CG GLN A 20 3.582 -7.609 6.012 1.00 0.00 C ATOM 271 CD GLN A 20 3.999 -8.950 5.403 1.00 0.00 C ATOM 272 OE1 GLN A 20 5.016 -9.070 4.740 1.00 0.00 O ATOM 273 NE2 GLN A 20 3.159 -9.947 5.665 1.00 0.00 N ATOM 0 H GLN A 20 2.926 -4.175 3.703 1.00 0.00 H new ATOM 0 HA GLN A 20 1.973 -5.596 6.123 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.910 -6.911 4.085 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.470 -6.275 4.568 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.309 -7.306 6.766 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.623 -7.718 6.519 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.325 -9.777 6.227 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.349 -10.882 5.304 1.00 0.00 H new ATOM 349 N PRO A 27 -1.554 -3.392 12.028 1.00 0.00 N ATOM 350 CA PRO A 27 -1.937 -4.561 11.254 1.00 0.00 C ATOM 351 C PRO A 27 -1.926 -4.254 9.755 1.00 0.00 C ATOM 352 O PRO A 27 -1.737 -3.106 9.355 1.00 0.00 O ATOM 353 CB PRO A 27 -3.314 -4.942 11.772 1.00 0.00 C ATOM 354 CG PRO A 27 -3.847 -3.709 12.483 1.00 0.00 C ATOM 355 CD PRO A 27 -2.685 -2.751 12.691 1.00 0.00 C ATOM 0 HA PRO A 27 -1.239 -5.390 11.371 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.972 -5.236 10.954 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.254 -5.791 12.453 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.630 -3.236 11.891 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.292 -3.983 13.440 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.896 -1.773 12.258 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.486 -2.594 13.751 1.00 0.00 H new ATOM 363 N PRO A 28 -2.135 -5.327 8.947 1.00 0.00 N ATOM 364 CA PRO A 28 -2.151 -5.183 7.501 1.00 0.00 C ATOM 365 C PRO A 28 -3.452 -4.530 7.029 1.00 0.00 C ATOM 366 O PRO A 28 -4.526 -5.117 7.153 1.00 0.00 O ATOM 367 CB PRO A 28 -1.966 -6.593 6.964 1.00 0.00 C ATOM 368 CG PRO A 28 -2.318 -7.526 8.111 1.00 0.00 C ATOM 369 CD PRO A 28 -2.362 -6.701 9.386 1.00 0.00 C ATOM 0 HA PRO A 28 -1.363 -4.524 7.135 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.611 -6.771 6.104 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.940 -6.753 6.631 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.281 -8.004 7.932 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.578 -8.322 8.197 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.323 -6.802 9.890 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.597 -7.023 10.092 1.00 0.00 H new ATOM 377 N ILE A 29 -3.312 -3.324 6.499 1.00 0.00 N ATOM 378 CA ILE A 29 -4.463 -2.585 6.008 1.00 0.00 C ATOM 379 C ILE A 29 -4.869 -3.133 4.639 1.00 0.00 C ATOM 380 O ILE A 29 -4.023 -3.327 3.768 1.00 0.00 O ATOM 381 CB ILE A 29 -4.174 -1.082 6.008 1.00 0.00 C ATOM 382 CG1 ILE A 29 -4.175 -0.524 7.433 1.00 0.00 C ATOM 383 CG2 ILE A 29 -5.153 -0.336 5.099 1.00 0.00 C ATOM 384 CD1 ILE A 29 -2.793 0.010 7.813 1.00 0.00 C ATOM 0 H ILE A 29 -2.420 -2.840 6.399 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.316 -2.722 6.672 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.175 -0.926 5.602 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.912 0.275 7.514 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.472 -1.305 8.133 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.926 0.730 5.117 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.060 -0.710 4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.172 -0.496 5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.821 0.401 8.830 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.062 -0.797 7.754 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.509 0.807 7.126 1.00 0.00 H new ATOM 396 N PHE A 30 -6.165 -3.366 4.491 1.00 0.00 N ATOM 397 CA PHE A 30 -6.694 -3.888 3.242 1.00 0.00 C ATOM 398 C PHE A 30 -7.264 -2.763 2.376 1.00 0.00 C ATOM 399 O PHE A 30 -8.366 -2.278 2.627 1.00 0.00 O ATOM 400 CB PHE A 30 -7.821 -4.857 3.604 1.00 0.00 C ATOM 401 CG PHE A 30 -7.335 -6.196 4.164 1.00 0.00 C ATOM 402 CD1 PHE A 30 -7.087 -6.327 5.494 1.00 0.00 C ATOM 403 CD2 PHE A 30 -7.151 -7.255 3.330 1.00 0.00 C ATOM 404 CE1 PHE A 30 -6.636 -7.569 6.014 1.00 0.00 C ATOM 405 CE2 PHE A 30 -6.700 -8.497 3.849 1.00 0.00 C ATOM 406 CZ PHE A 30 -6.452 -8.628 5.180 1.00 0.00 C ATOM 0 H PHE A 30 -6.864 -3.203 5.215 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.901 -4.379 2.678 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.472 -4.383 4.338 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.425 -5.044 2.716 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.233 -5.486 6.156 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.348 -7.151 2.273 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.439 -7.673 7.071 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.554 -9.338 3.187 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.109 -9.573 5.575 1.00 0.00 H new ATOM 416 N LEU A 31 -6.487 -2.381 1.373 1.00 0.00 N ATOM 417 CA LEU A 31 -6.900 -1.322 0.467 1.00 0.00 C ATOM 418 C LEU A 31 -8.220 -1.714 -0.200 1.00 0.00 C ATOM 419 O LEU A 31 -8.570 -2.892 -0.248 1.00 0.00 O ATOM 420 CB LEU A 31 -5.781 -0.999 -0.525 1.00 0.00 C ATOM 421 CG LEU A 31 -4.355 -1.071 0.025 1.00 0.00 C ATOM 422 CD1 LEU A 31 -3.381 -0.311 -0.877 1.00 0.00 C ATOM 423 CD2 LEU A 31 -4.300 -0.579 1.472 1.00 0.00 C ATOM 0 H LEU A 31 -5.574 -2.786 1.168 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.082 -0.399 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.859 -1.687 -1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.948 0.005 -0.916 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.042 -2.115 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.375 -0.378 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.393 -0.748 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.680 0.735 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.275 -0.641 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.640 0.456 1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.945 -1.201 2.092 1.00 0.00 H new ATOM 435 N PRO A 32 -8.935 -0.677 -0.712 1.00 0.00 N ATOM 436 CA PRO A 32 -10.209 -0.901 -1.374 1.00 0.00 C ATOM 437 C PRO A 32 -10.004 -1.493 -2.770 1.00 0.00 C ATOM 438 O PRO A 32 -8.969 -1.272 -3.397 1.00 0.00 O ATOM 439 CB PRO A 32 -10.883 0.461 -1.400 1.00 0.00 C ATOM 440 CG PRO A 32 -9.777 1.479 -1.174 1.00 0.00 C ATOM 441 CD PRO A 32 -8.552 0.732 -0.674 1.00 0.00 C ATOM 0 HA PRO A 32 -10.832 -1.629 -0.854 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.382 0.632 -2.354 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -11.645 0.534 -0.624 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.550 2.008 -2.100 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.090 2.228 -0.447 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.686 0.924 -1.307 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.284 1.042 0.336 1.00 0.00 H new ATOM 449 N SER A 33 -11.007 -2.236 -3.216 1.00 0.00 N ATOM 450 CA SER A 33 -10.950 -2.862 -4.525 1.00 0.00 C ATOM 451 C SER A 33 -11.702 -2.007 -5.547 1.00 0.00 C ATOM 452 O SER A 33 -11.297 -1.918 -6.705 1.00 0.00 O ATOM 453 CB SER A 33 -11.533 -4.276 -4.485 1.00 0.00 C ATOM 454 OG SER A 33 -12.904 -4.278 -4.100 1.00 0.00 O ATOM 0 H SER A 33 -11.864 -2.418 -2.693 1.00 0.00 H new ATOM 0 HA SER A 33 -9.904 -2.937 -4.823 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.432 -4.738 -5.467 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.959 -4.885 -3.786 1.00 0.00 H new ATOM 0 HG SER A 33 -13.239 -5.199 -4.088 1.00 0.00 H new ATOM 460 N ASP A 34 -12.783 -1.399 -5.082 1.00 0.00 N ATOM 461 CA ASP A 34 -13.595 -0.554 -5.941 1.00 0.00 C ATOM 462 C ASP A 34 -12.682 0.366 -6.754 1.00 0.00 C ATOM 463 O ASP A 34 -13.039 0.787 -7.853 1.00 0.00 O ATOM 464 CB ASP A 34 -14.539 0.324 -5.117 1.00 0.00 C ATOM 465 CG ASP A 34 -15.176 1.485 -5.883 1.00 0.00 C ATOM 466 OD1 ASP A 34 -16.214 1.234 -6.533 1.00 0.00 O ATOM 467 OD2 ASP A 34 -14.611 2.596 -5.802 1.00 0.00 O ATOM 0 H ASP A 34 -13.116 -1.475 -4.121 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.182 -1.201 -6.593 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.333 -0.303 -4.712 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.987 0.728 -4.268 1.00 0.00 H new ATOM 472 N GLY A 35 -11.522 0.651 -6.182 1.00 0.00 N ATOM 473 CA GLY A 35 -10.555 1.514 -6.839 1.00 0.00 C ATOM 474 C GLY A 35 -10.316 2.788 -6.027 1.00 0.00 C ATOM 475 O GLY A 35 -9.478 3.612 -6.391 1.00 0.00 O ATOM 0 H GLY A 35 -11.229 0.300 -5.270 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.614 0.979 -6.968 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.913 1.775 -7.835 1.00 0.00 H new ATOM 479 N GLN A 36 -11.066 2.910 -4.942 1.00 0.00 N ATOM 480 CA GLN A 36 -10.946 4.070 -4.075 1.00 0.00 C ATOM 481 C GLN A 36 -9.479 4.311 -3.711 1.00 0.00 C ATOM 482 O GLN A 36 -8.615 3.495 -4.028 1.00 0.00 O ATOM 483 CB GLN A 36 -11.803 3.906 -2.818 1.00 0.00 C ATOM 484 CG GLN A 36 -13.171 4.566 -2.998 1.00 0.00 C ATOM 485 CD GLN A 36 -14.010 4.445 -1.724 1.00 0.00 C ATOM 486 OE1 GLN A 36 -13.699 5.012 -0.689 1.00 0.00 O ATOM 487 NE2 GLN A 36 -15.088 3.678 -1.856 1.00 0.00 N ATOM 0 H GLN A 36 -11.760 2.224 -4.643 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.314 4.942 -4.615 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.933 2.846 -2.597 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.291 4.349 -1.964 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.041 5.618 -3.253 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.698 4.099 -3.830 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -15.290 3.232 -2.751 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.713 3.535 -1.062 1.00 0.00 H new ATOM 496 N ALA A 37 -9.244 5.435 -3.050 1.00 0.00 N ATOM 497 CA ALA A 37 -7.897 5.793 -2.640 1.00 0.00 C ATOM 498 C ALA A 37 -7.856 5.947 -1.118 1.00 0.00 C ATOM 499 O ALA A 37 -8.602 6.744 -0.551 1.00 0.00 O ATOM 500 CB ALA A 37 -7.464 7.068 -3.367 1.00 0.00 C ATOM 0 H ALA A 37 -9.963 6.109 -2.788 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.192 5.008 -2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.453 7.337 -3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.482 6.897 -4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.147 7.879 -3.117 1.00 0.00 H new ATOM 506 N LEU A 38 -6.977 5.172 -0.500 1.00 0.00 N ATOM 507 CA LEU A 38 -6.829 5.213 0.945 1.00 0.00 C ATOM 508 C LEU A 38 -5.677 6.152 1.309 1.00 0.00 C ATOM 509 O LEU A 38 -4.513 5.829 1.080 1.00 0.00 O ATOM 510 CB LEU A 38 -6.671 3.799 1.507 1.00 0.00 C ATOM 511 CG LEU A 38 -7.300 3.548 2.879 1.00 0.00 C ATOM 512 CD1 LEU A 38 -8.725 4.103 2.939 1.00 0.00 C ATOM 513 CD2 LEU A 38 -7.248 2.064 3.244 1.00 0.00 C ATOM 0 H LEU A 38 -6.360 4.512 -0.973 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.729 5.617 1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.106 3.096 0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.607 3.571 1.570 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.714 4.083 3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.149 3.911 3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.705 5.177 2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.337 3.616 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.702 1.914 4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.795 1.487 2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.210 1.732 3.270 1.00 0.00 H new ATOM 525 N VAL A 39 -6.043 7.294 1.871 1.00 0.00 N ATOM 526 CA VAL A 39 -5.054 8.282 2.270 1.00 0.00 C ATOM 527 C VAL A 39 -4.294 7.771 3.495 1.00 0.00 C ATOM 528 O VAL A 39 -4.900 7.280 4.446 1.00 0.00 O ATOM 529 CB VAL A 39 -5.731 9.633 2.507 1.00 0.00 C ATOM 530 CG1 VAL A 39 -5.056 10.391 3.652 1.00 0.00 C ATOM 531 CG2 VAL A 39 -5.745 10.472 1.228 1.00 0.00 C ATOM 0 H VAL A 39 -7.010 7.558 2.060 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.324 8.434 1.475 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.765 9.443 2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.556 11.348 3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.122 9.802 4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.008 10.564 3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.232 11.427 1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.721 10.648 0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.292 9.940 0.450 1.00 0.00 H new ATOM 541 N LEU A 40 -2.977 7.903 3.432 1.00 0.00 N ATOM 542 CA LEU A 40 -2.127 7.461 4.524 1.00 0.00 C ATOM 543 C LEU A 40 -1.475 8.678 5.183 1.00 0.00 C ATOM 544 O LEU A 40 -1.516 9.780 4.637 1.00 0.00 O ATOM 545 CB LEU A 40 -1.123 6.416 4.033 1.00 0.00 C ATOM 546 CG LEU A 40 -1.668 4.999 3.844 1.00 0.00 C ATOM 547 CD1 LEU A 40 -0.530 3.997 3.641 1.00 0.00 C ATOM 548 CD2 LEU A 40 -2.579 4.603 5.008 1.00 0.00 C ATOM 0 H LEU A 40 -2.478 8.310 2.641 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.721 6.963 5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.711 6.755 3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.296 6.374 4.742 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.276 4.984 2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.944 2.998 3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.043 4.272 2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.123 4.007 4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.953 3.592 4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.015 4.639 5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.419 5.296 5.065 1.00 0.00 H new ATOM 560 N GLY A 41 -0.890 8.439 6.347 1.00 0.00 N ATOM 561 CA GLY A 41 -0.230 9.502 7.086 1.00 0.00 C ATOM 562 C GLY A 41 -0.337 9.269 8.594 1.00 0.00 C ATOM 563 O GLY A 41 -0.522 8.138 9.040 1.00 0.00 O ATOM 0 H GLY A 41 -0.859 7.524 6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.819 9.554 6.796 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.680 10.461 6.830 1.00 0.00 H new ATOM 567 N ARG A 42 -0.216 10.358 9.339 1.00 0.00 N ATOM 568 CA ARG A 42 -0.296 10.287 10.788 1.00 0.00 C ATOM 569 C ARG A 42 -1.603 9.614 11.215 1.00 0.00 C ATOM 570 O ARG A 42 -2.608 9.701 10.511 1.00 0.00 O ATOM 571 CB ARG A 42 -0.221 11.682 11.413 1.00 0.00 C ATOM 572 CG ARG A 42 1.080 11.861 12.199 1.00 0.00 C ATOM 573 CD ARG A 42 1.083 13.189 12.959 1.00 0.00 C ATOM 574 NE ARG A 42 -0.205 13.371 13.664 1.00 0.00 N ATOM 575 CZ ARG A 42 -1.282 13.958 13.123 1.00 0.00 C ATOM 576 NH1 ARG A 42 -1.231 14.422 11.867 1.00 0.00 N ATOM 577 NH2 ARG A 42 -2.409 14.080 13.838 1.00 0.00 N ATOM 0 H ARG A 42 -0.063 11.295 8.966 1.00 0.00 H new ATOM 0 HA ARG A 42 0.552 9.698 11.138 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.285 12.439 10.631 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.074 11.834 12.075 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.202 11.036 12.901 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.929 11.827 11.516 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.905 13.206 13.675 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.247 14.014 12.266 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.278 13.028 14.622 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.373 14.328 11.323 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.050 14.869 11.455 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.447 13.726 14.794 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.228 14.527 13.426 1.00 0.00 H new ATOM 591 N GLY A 43 -1.546 8.959 12.365 1.00 0.00 N ATOM 592 CA GLY A 43 -2.712 8.272 12.894 1.00 0.00 C ATOM 593 C GLY A 43 -2.389 6.811 13.214 1.00 0.00 C ATOM 594 O GLY A 43 -1.253 6.371 13.043 1.00 0.00 O ATOM 0 H GLY A 43 -0.710 8.889 12.946 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.059 8.777 13.795 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.525 8.318 12.170 1.00 0.00 H new ATOM 598 N PRO A 44 -3.435 6.081 13.685 1.00 0.00 N ATOM 599 CA PRO A 44 -3.275 4.679 14.030 1.00 0.00 C ATOM 600 C PRO A 44 -3.190 3.811 12.773 1.00 0.00 C ATOM 601 O PRO A 44 -2.989 2.601 12.863 1.00 0.00 O ATOM 602 CB PRO A 44 -4.476 4.348 14.901 1.00 0.00 C ATOM 603 CG PRO A 44 -5.500 5.439 14.630 1.00 0.00 C ATOM 604 CD PRO A 44 -4.794 6.570 13.900 1.00 0.00 C ATOM 0 HA PRO A 44 -2.346 4.481 14.565 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.878 3.365 14.655 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.200 4.325 15.955 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.322 5.050 14.028 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.931 5.798 15.564 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.286 6.800 12.955 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.797 7.486 14.491 1.00 0.00 H new ATOM 612 N LEU A 45 -3.347 4.463 11.631 1.00 0.00 N ATOM 613 CA LEU A 45 -3.291 3.766 10.357 1.00 0.00 C ATOM 614 C LEU A 45 -1.923 3.097 10.207 1.00 0.00 C ATOM 615 O LEU A 45 -1.834 1.876 10.095 1.00 0.00 O ATOM 616 CB LEU A 45 -3.640 4.716 9.210 1.00 0.00 C ATOM 617 CG LEU A 45 -5.047 5.318 9.242 1.00 0.00 C ATOM 618 CD1 LEU A 45 -5.994 4.453 10.075 1.00 0.00 C ATOM 619 CD2 LEU A 45 -5.012 6.767 9.734 1.00 0.00 C ATOM 0 H LEU A 45 -3.513 5.467 11.561 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.040 2.974 10.323 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.917 5.532 9.208 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.517 4.179 8.270 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.436 5.333 8.224 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.987 4.903 10.082 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.051 3.455 9.641 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.620 4.384 11.097 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.024 7.171 9.747 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.595 6.800 10.741 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.392 7.364 9.065 1.00 0.00 H new ATOM 631 N THR A 46 -0.891 3.928 10.209 1.00 0.00 N ATOM 632 CA THR A 46 0.469 3.432 10.074 1.00 0.00 C ATOM 633 C THR A 46 1.221 3.572 11.399 1.00 0.00 C ATOM 634 O THR A 46 2.422 3.315 11.465 1.00 0.00 O ATOM 635 CB THR A 46 1.132 4.181 8.917 1.00 0.00 C ATOM 636 OG1 THR A 46 1.023 5.554 9.283 1.00 0.00 O ATOM 637 CG2 THR A 46 0.332 4.077 7.617 1.00 0.00 C ATOM 0 H THR A 46 -0.969 4.941 10.302 1.00 0.00 H new ATOM 0 HA THR A 46 0.481 2.367 9.840 1.00 0.00 H new ATOM 0 HB THR A 46 2.136 3.787 8.758 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.269 5.961 8.807 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.846 4.626 6.828 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.240 3.030 7.329 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.661 4.501 7.766 1.00 0.00 H new ATOM 645 N GLN A 47 0.483 3.978 12.422 1.00 0.00 N ATOM 646 CA GLN A 47 1.066 4.155 13.741 1.00 0.00 C ATOM 647 C GLN A 47 2.132 5.252 13.708 1.00 0.00 C ATOM 648 O GLN A 47 3.058 5.247 14.517 1.00 0.00 O ATOM 649 CB GLN A 47 1.648 2.841 14.264 1.00 0.00 C ATOM 650 CG GLN A 47 0.537 1.893 14.720 1.00 0.00 C ATOM 651 CD GLN A 47 0.579 1.688 16.236 1.00 0.00 C ATOM 652 OE1 GLN A 47 1.628 1.529 16.838 1.00 0.00 O ATOM 653 NE2 GLN A 47 -0.618 1.702 16.817 1.00 0.00 N ATOM 0 H GLN A 47 -0.513 4.189 12.364 1.00 0.00 H new ATOM 0 HA GLN A 47 0.277 4.463 14.427 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.240 2.364 13.482 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.323 3.043 15.096 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.433 2.298 14.431 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.644 0.932 14.216 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.457 1.840 16.253 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.697 1.575 17.826 1.00 0.00 H new ATOM 662 N VAL A 48 1.966 6.166 12.763 1.00 0.00 N ATOM 663 CA VAL A 48 2.903 7.267 12.613 1.00 0.00 C ATOM 664 C VAL A 48 2.403 8.468 13.418 1.00 0.00 C ATOM 665 O VAL A 48 1.249 8.872 13.286 1.00 0.00 O ATOM 666 CB VAL A 48 3.106 7.583 11.130 1.00 0.00 C ATOM 667 CG1 VAL A 48 3.814 8.927 10.949 1.00 0.00 C ATOM 668 CG2 VAL A 48 3.874 6.460 10.431 1.00 0.00 C ATOM 0 H VAL A 48 1.197 6.167 12.093 1.00 0.00 H new ATOM 0 HA VAL A 48 3.881 6.994 13.009 1.00 0.00 H new ATOM 0 HB VAL A 48 2.123 7.656 10.665 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.946 9.128 9.886 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.212 9.718 11.396 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.789 8.893 11.436 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.005 6.709 9.378 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.851 6.341 10.900 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.314 5.529 10.516 1.00 0.00 H new ATOM 678 N THR A 49 3.298 9.007 14.234 1.00 0.00 N ATOM 679 CA THR A 49 2.962 10.154 15.059 1.00 0.00 C ATOM 680 C THR A 49 3.840 11.352 14.690 1.00 0.00 C ATOM 681 O THR A 49 3.603 12.466 15.154 1.00 0.00 O ATOM 682 CB THR A 49 3.091 9.736 16.525 1.00 0.00 C ATOM 683 OG1 THR A 49 4.442 9.297 16.644 1.00 0.00 O ATOM 684 CG2 THR A 49 2.265 8.491 16.854 1.00 0.00 C ATOM 0 H THR A 49 4.255 8.670 14.341 1.00 0.00 H new ATOM 0 HA THR A 49 1.935 10.477 14.887 1.00 0.00 H new ATOM 0 HB THR A 49 2.777 10.560 17.166 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.613 9.009 17.565 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.392 8.238 17.906 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.212 8.689 16.653 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.601 7.658 16.237 1.00 0.00 H new ATOM 692 N ASP A 50 4.835 11.081 13.858 1.00 0.00 N ATOM 693 CA ASP A 50 5.749 12.123 13.421 1.00 0.00 C ATOM 694 C ASP A 50 4.945 13.308 12.883 1.00 0.00 C ATOM 695 O ASP A 50 3.829 13.136 12.397 1.00 0.00 O ATOM 696 CB ASP A 50 6.660 11.621 12.299 1.00 0.00 C ATOM 697 CG ASP A 50 8.073 12.206 12.303 1.00 0.00 C ATOM 698 OD1 ASP A 50 8.364 12.983 13.238 1.00 0.00 O ATOM 699 OD2 ASP A 50 8.832 11.864 11.370 1.00 0.00 O ATOM 0 H ASP A 50 5.028 10.156 13.475 1.00 0.00 H new ATOM 0 HA ASP A 50 6.358 12.418 14.276 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.732 10.536 12.368 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.191 11.849 11.342 1.00 0.00 H new ATOM 704 N ARG A 51 5.545 14.485 12.989 1.00 0.00 N ATOM 705 CA ARG A 51 4.898 15.699 12.519 1.00 0.00 C ATOM 706 C ARG A 51 5.056 15.832 11.003 1.00 0.00 C ATOM 707 O ARG A 51 4.168 16.347 10.326 1.00 0.00 O ATOM 708 CB ARG A 51 5.491 16.936 13.197 1.00 0.00 C ATOM 709 CG ARG A 51 5.166 16.951 14.692 1.00 0.00 C ATOM 710 CD ARG A 51 5.946 18.053 15.412 1.00 0.00 C ATOM 711 NE ARG A 51 7.262 17.538 15.849 1.00 0.00 N ATOM 712 CZ ARG A 51 8.018 18.114 16.794 1.00 0.00 C ATOM 713 NH1 ARG A 51 7.592 19.227 17.407 1.00 0.00 N ATOM 714 NH2 ARG A 51 9.200 17.577 17.127 1.00 0.00 N ATOM 0 H ARG A 51 6.471 14.624 13.393 1.00 0.00 H new ATOM 0 HA ARG A 51 3.840 15.631 12.773 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.572 16.949 13.056 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.097 17.837 12.727 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.096 17.106 14.834 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.409 15.983 15.130 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.082 18.907 14.748 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.380 18.407 16.274 1.00 0.00 H new ATOM 0 HE ARG A 51 7.616 16.692 15.403 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.692 19.636 17.154 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.167 19.665 18.126 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.525 16.730 16.661 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.775 18.016 17.846 1.00 0.00 H new ATOM 728 N LYS A 52 6.193 15.358 10.515 1.00 0.00 N ATOM 729 CA LYS A 52 6.478 15.417 9.092 1.00 0.00 C ATOM 730 C LYS A 52 5.430 14.603 8.331 1.00 0.00 C ATOM 731 O LYS A 52 5.302 14.730 7.114 1.00 0.00 O ATOM 732 CB LYS A 52 7.918 14.978 8.815 1.00 0.00 C ATOM 733 CG LYS A 52 8.917 15.896 9.521 1.00 0.00 C ATOM 734 CD LYS A 52 9.690 16.746 8.511 1.00 0.00 C ATOM 735 CE LYS A 52 10.809 17.532 9.198 1.00 0.00 C ATOM 736 NZ LYS A 52 11.968 16.653 9.470 1.00 0.00 N ATOM 0 H LYS A 52 6.927 14.932 11.080 1.00 0.00 H new ATOM 0 HA LYS A 52 6.407 16.443 8.732 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.060 13.952 9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.105 14.989 7.741 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.389 16.545 10.219 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.614 15.298 10.107 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.113 16.104 7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.008 17.436 8.014 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.117 18.365 8.566 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.442 17.959 10.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.743 17.216 9.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.691 15.911 10.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.286 16.213 8.583 1.00 0.00 H new ATOM 750 N CYS A 53 4.706 13.784 9.080 1.00 0.00 N ATOM 751 CA CYS A 53 3.673 12.949 8.492 1.00 0.00 C ATOM 752 C CYS A 53 2.363 13.740 8.482 1.00 0.00 C ATOM 753 O CYS A 53 1.926 14.236 9.519 1.00 0.00 O ATOM 754 CB CYS A 53 3.530 11.618 9.234 1.00 0.00 C ATOM 755 SG CYS A 53 4.034 10.237 8.144 1.00 0.00 S ATOM 0 H CYS A 53 4.815 13.681 10.089 1.00 0.00 H new ATOM 0 HA CYS A 53 3.949 12.692 7.469 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.146 11.626 10.133 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.498 11.480 9.555 1.00 0.00 H new ATOM 0 HG CYS A 53 3.987 10.624 6.904 1.00 0.00 H new ATOM 761 N SER A 54 1.774 13.833 7.299 1.00 0.00 N ATOM 762 CA SER A 54 0.523 14.555 7.141 1.00 0.00 C ATOM 763 C SER A 54 -0.632 13.568 6.960 1.00 0.00 C ATOM 764 O SER A 54 -0.508 12.590 6.225 1.00 0.00 O ATOM 765 CB SER A 54 0.590 15.518 5.954 1.00 0.00 C ATOM 766 OG SER A 54 -0.026 16.769 6.246 1.00 0.00 O ATOM 0 H SER A 54 2.140 13.420 6.441 1.00 0.00 H new ATOM 0 HA SER A 54 0.351 15.143 8.042 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.632 15.682 5.679 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.100 15.065 5.092 1.00 0.00 H new ATOM 0 HG SER A 54 0.039 17.356 5.464 1.00 0.00 H new ATOM 772 N ARG A 55 -1.729 13.860 7.643 1.00 0.00 N ATOM 773 CA ARG A 55 -2.905 13.010 7.567 1.00 0.00 C ATOM 774 C ARG A 55 -3.103 12.503 6.137 1.00 0.00 C ATOM 775 O ARG A 55 -3.535 11.370 5.931 1.00 0.00 O ATOM 776 CB ARG A 55 -4.160 13.765 8.011 1.00 0.00 C ATOM 777 CG ARG A 55 -4.883 13.016 9.132 1.00 0.00 C ATOM 778 CD ARG A 55 -6.390 12.962 8.872 1.00 0.00 C ATOM 779 NE ARG A 55 -6.974 11.768 9.523 1.00 0.00 N ATOM 780 CZ ARG A 55 -8.259 11.407 9.415 1.00 0.00 C ATOM 781 NH1 ARG A 55 -9.104 12.145 8.682 1.00 0.00 N ATOM 782 NH2 ARG A 55 -8.701 10.307 10.040 1.00 0.00 N ATOM 0 H ARG A 55 -1.828 14.673 8.251 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.747 12.165 8.237 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.886 14.763 8.353 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.832 13.892 7.162 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.488 12.003 9.212 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.692 13.509 10.085 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.866 13.865 9.255 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.581 12.932 7.799 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.359 11.184 10.089 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.768 12.982 8.206 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.083 11.869 8.600 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.059 9.745 10.598 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.680 10.032 9.958 1.00 0.00 H new ATOM 796 N ASN A 56 -2.776 13.367 5.187 1.00 0.00 N ATOM 797 CA ASN A 56 -2.912 13.021 3.782 1.00 0.00 C ATOM 798 C ASN A 56 -1.574 13.244 3.075 1.00 0.00 C ATOM 799 O ASN A 56 -1.493 14.019 2.123 1.00 0.00 O ATOM 800 CB ASN A 56 -3.962 13.899 3.098 1.00 0.00 C ATOM 801 CG ASN A 56 -5.161 14.137 4.017 1.00 0.00 C ATOM 802 OD1 ASN A 56 -5.353 13.465 5.017 1.00 0.00 O ATOM 803 ND2 ASN A 56 -5.955 15.129 3.624 1.00 0.00 N ATOM 0 H ASN A 56 -2.417 14.306 5.362 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.219 11.977 3.719 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.517 14.854 2.820 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.295 13.422 2.176 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.783 15.367 4.171 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.736 15.652 2.776 1.00 0.00 H new ATOM 810 N GLN A 57 -0.558 12.551 3.567 1.00 0.00 N ATOM 811 CA GLN A 57 0.772 12.665 2.994 1.00 0.00 C ATOM 812 C GLN A 57 0.763 12.203 1.535 1.00 0.00 C ATOM 813 O GLN A 57 1.254 12.906 0.654 1.00 0.00 O ATOM 814 CB GLN A 57 1.792 11.872 3.814 1.00 0.00 C ATOM 815 CG GLN A 57 3.104 11.705 3.044 1.00 0.00 C ATOM 816 CD GLN A 57 3.684 13.064 2.647 1.00 0.00 C ATOM 817 OE1 GLN A 57 3.312 14.102 3.169 1.00 0.00 O ATOM 818 NE2 GLN A 57 4.612 12.999 1.697 1.00 0.00 N ATOM 0 H GLN A 57 -0.629 11.909 4.356 1.00 0.00 H new ATOM 0 HA GLN A 57 1.069 13.713 3.021 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.982 12.384 4.757 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.383 10.892 4.060 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.824 11.164 3.658 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.932 11.104 2.151 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.876 12.096 1.303 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.060 13.852 1.362 1.00 0.00 H new ATOM 827 N VAL A 58 0.199 11.022 1.325 1.00 0.00 N ATOM 828 CA VAL A 58 0.119 10.458 -0.011 1.00 0.00 C ATOM 829 C VAL A 58 -1.245 9.790 -0.197 1.00 0.00 C ATOM 830 O VAL A 58 -2.006 9.648 0.758 1.00 0.00 O ATOM 831 CB VAL A 58 1.290 9.501 -0.246 1.00 0.00 C ATOM 832 CG1 VAL A 58 2.587 10.274 -0.497 1.00 0.00 C ATOM 833 CG2 VAL A 58 1.448 8.530 0.925 1.00 0.00 C ATOM 0 H VAL A 58 -0.207 10.441 2.058 1.00 0.00 H new ATOM 0 HA VAL A 58 0.202 11.243 -0.763 1.00 0.00 H new ATOM 0 HB VAL A 58 1.071 8.915 -1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.404 9.571 -0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.470 10.906 -1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.813 10.897 0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.287 7.861 0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.634 9.091 1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.536 7.944 1.038 1.00 0.00 H new ATOM 843 N GLU A 59 -1.512 9.398 -1.434 1.00 0.00 N ATOM 844 CA GLU A 59 -2.771 8.748 -1.758 1.00 0.00 C ATOM 845 C GLU A 59 -2.515 7.370 -2.370 1.00 0.00 C ATOM 846 O GLU A 59 -2.045 7.267 -3.502 1.00 0.00 O ATOM 847 CB GLU A 59 -3.611 9.617 -2.696 1.00 0.00 C ATOM 848 CG GLU A 59 -5.024 9.052 -2.849 1.00 0.00 C ATOM 849 CD GLU A 59 -6.074 10.158 -2.725 1.00 0.00 C ATOM 850 OE1 GLU A 59 -6.384 10.766 -3.772 1.00 0.00 O ATOM 851 OE2 GLU A 59 -6.543 10.370 -1.586 1.00 0.00 O ATOM 0 H GLU A 59 -0.878 9.518 -2.224 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.336 8.615 -0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.662 10.634 -2.307 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.130 9.674 -3.673 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.120 8.561 -3.818 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.200 8.292 -2.088 1.00 0.00 H new ATOM 858 N LEU A 60 -2.836 6.344 -1.595 1.00 0.00 N ATOM 859 CA LEU A 60 -2.647 4.976 -2.047 1.00 0.00 C ATOM 860 C LEU A 60 -3.940 4.473 -2.690 1.00 0.00 C ATOM 861 O LEU A 60 -5.033 4.768 -2.208 1.00 0.00 O ATOM 862 CB LEU A 60 -2.148 4.097 -0.898 1.00 0.00 C ATOM 863 CG LEU A 60 -0.632 3.911 -0.806 1.00 0.00 C ATOM 864 CD1 LEU A 60 -0.032 4.825 0.265 1.00 0.00 C ATOM 865 CD2 LEU A 60 -0.273 2.442 -0.572 1.00 0.00 C ATOM 0 H LEU A 60 -3.226 6.433 -0.657 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.872 4.931 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.499 4.526 0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.610 3.114 -0.992 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.193 4.202 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.046 4.673 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.242 5.865 0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.473 4.589 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.810 2.338 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.724 2.101 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.649 1.839 -1.399 1.00 0.00 H new ATOM 877 N ILE A 61 -3.774 3.721 -3.768 1.00 0.00 N ATOM 878 CA ILE A 61 -4.915 3.174 -4.482 1.00 0.00 C ATOM 879 C ILE A 61 -4.604 1.737 -4.907 1.00 0.00 C ATOM 880 O ILE A 61 -3.635 1.494 -5.626 1.00 0.00 O ATOM 881 CB ILE A 61 -5.307 4.087 -5.645 1.00 0.00 C ATOM 882 CG1 ILE A 61 -5.852 5.422 -5.134 1.00 0.00 C ATOM 883 CG2 ILE A 61 -6.293 3.387 -6.584 1.00 0.00 C ATOM 884 CD1 ILE A 61 -5.611 6.539 -6.152 1.00 0.00 C ATOM 0 H ILE A 61 -2.866 3.478 -4.164 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.788 3.133 -3.830 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.410 4.306 -6.225 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.920 5.331 -4.935 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.372 5.677 -4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.555 4.058 -7.402 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.833 2.485 -6.988 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.194 3.119 -6.032 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.008 7.477 -5.764 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.541 6.644 -6.330 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.112 6.293 -7.088 1.00 0.00 H new ATOM 896 N ALA A 62 -5.443 0.822 -4.444 1.00 0.00 N ATOM 897 CA ALA A 62 -5.270 -0.584 -4.767 1.00 0.00 C ATOM 898 C ALA A 62 -5.726 -0.832 -6.206 1.00 0.00 C ATOM 899 O ALA A 62 -6.878 -0.572 -6.549 1.00 0.00 O ATOM 900 CB ALA A 62 -6.038 -1.438 -3.756 1.00 0.00 C ATOM 0 H ALA A 62 -6.245 1.027 -3.848 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.219 -0.867 -4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.908 -2.493 -3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.656 -1.246 -2.753 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.097 -1.184 -3.796 1.00 0.00 H new ATOM 906 N ASP A 63 -4.798 -1.333 -7.008 1.00 0.00 N ATOM 907 CA ASP A 63 -5.091 -1.620 -8.403 1.00 0.00 C ATOM 908 C ASP A 63 -4.870 -3.110 -8.669 1.00 0.00 C ATOM 909 O ASP A 63 -3.792 -3.514 -9.100 1.00 0.00 O ATOM 910 CB ASP A 63 -4.166 -0.831 -9.333 1.00 0.00 C ATOM 911 CG ASP A 63 -4.842 0.302 -10.107 1.00 0.00 C ATOM 912 OD1 ASP A 63 -5.179 1.313 -9.455 1.00 0.00 O ATOM 913 OD2 ASP A 63 -5.005 0.131 -11.335 1.00 0.00 O ATOM 0 H ASP A 63 -3.844 -1.548 -6.719 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.125 -1.336 -8.597 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.352 -0.412 -8.741 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.718 -1.522 -10.047 1.00 0.00 H new ATOM 918 N PRO A 64 -5.938 -3.907 -8.396 1.00 0.00 N ATOM 919 CA PRO A 64 -5.872 -5.344 -8.602 1.00 0.00 C ATOM 920 C PRO A 64 -5.952 -5.688 -10.090 1.00 0.00 C ATOM 921 O PRO A 64 -5.920 -6.860 -10.462 1.00 0.00 O ATOM 922 CB PRO A 64 -7.030 -5.910 -7.797 1.00 0.00 C ATOM 923 CG PRO A 64 -7.975 -4.745 -7.550 1.00 0.00 C ATOM 924 CD PRO A 64 -7.231 -3.463 -7.885 1.00 0.00 C ATOM 0 HA PRO A 64 -4.927 -5.774 -8.271 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.531 -6.710 -8.342 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.681 -6.336 -6.856 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.868 -4.840 -8.167 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.305 -4.735 -6.511 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.770 -2.875 -8.628 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.113 -2.832 -7.004 1.00 0.00 H new ATOM 932 N GLU A 65 -6.056 -4.646 -10.901 1.00 0.00 N ATOM 933 CA GLU A 65 -6.141 -4.824 -12.341 1.00 0.00 C ATOM 934 C GLU A 65 -4.849 -5.444 -12.877 1.00 0.00 C ATOM 935 O GLU A 65 -4.890 -6.349 -13.709 1.00 0.00 O ATOM 936 CB GLU A 65 -6.444 -3.497 -13.040 1.00 0.00 C ATOM 937 CG GLU A 65 -7.757 -3.576 -13.821 1.00 0.00 C ATOM 938 CD GLU A 65 -8.039 -2.263 -14.554 1.00 0.00 C ATOM 939 OE1 GLU A 65 -7.572 -2.145 -15.708 1.00 0.00 O ATOM 940 OE2 GLU A 65 -8.715 -1.406 -13.945 1.00 0.00 O ATOM 0 H GLU A 65 -6.083 -3.675 -10.589 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.964 -5.506 -12.555 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.504 -2.698 -12.301 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.628 -3.244 -13.717 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.708 -4.394 -14.539 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.577 -3.799 -13.139 1.00 0.00 H new ATOM 947 N SER A 66 -3.734 -4.932 -12.378 1.00 0.00 N ATOM 948 CA SER A 66 -2.432 -5.424 -12.796 1.00 0.00 C ATOM 949 C SER A 66 -1.513 -5.569 -11.582 1.00 0.00 C ATOM 950 O SER A 66 -0.292 -5.485 -11.710 1.00 0.00 O ATOM 951 CB SER A 66 -1.799 -4.495 -13.834 1.00 0.00 C ATOM 952 OG SER A 66 -2.210 -4.816 -15.160 1.00 0.00 O ATOM 0 H SER A 66 -3.705 -4.181 -11.688 1.00 0.00 H new ATOM 0 HA SER A 66 -2.568 -6.401 -13.259 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.070 -3.463 -13.610 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.713 -4.561 -13.765 1.00 0.00 H new ATOM 0 HG SER A 66 -1.786 -4.199 -15.792 1.00 0.00 H new ATOM 958 N ARG A 67 -2.134 -5.785 -10.432 1.00 0.00 N ATOM 959 CA ARG A 67 -1.386 -5.942 -9.196 1.00 0.00 C ATOM 960 C ARG A 67 -0.441 -4.757 -8.993 1.00 0.00 C ATOM 961 O ARG A 67 0.768 -4.939 -8.854 1.00 0.00 O ATOM 962 CB ARG A 67 -0.574 -7.238 -9.205 1.00 0.00 C ATOM 963 CG ARG A 67 -1.466 -8.443 -9.511 1.00 0.00 C ATOM 964 CD ARG A 67 -1.926 -9.126 -8.222 1.00 0.00 C ATOM 965 NE ARG A 67 -1.262 -10.441 -8.081 1.00 0.00 N ATOM 966 CZ ARG A 67 -1.637 -11.546 -8.740 1.00 0.00 C ATOM 967 NH1 ARG A 67 -2.673 -11.501 -9.589 1.00 0.00 N ATOM 968 NH2 ARG A 67 -0.976 -12.696 -8.550 1.00 0.00 N ATOM 0 H ARG A 67 -3.146 -5.855 -10.330 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.104 -5.982 -8.377 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.219 -7.169 -9.950 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.091 -7.375 -8.238 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.334 -8.121 -10.086 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.921 -9.156 -10.130 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.691 -8.497 -7.364 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.008 -9.255 -8.236 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.470 -10.511 -7.443 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.176 -10.626 -9.734 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.958 -12.342 -10.091 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.188 -12.730 -7.904 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.261 -13.537 -9.052 1.00 0.00 H new ATOM 982 N THR A 68 -1.027 -3.568 -8.981 1.00 0.00 N ATOM 983 CA THR A 68 -0.252 -2.353 -8.797 1.00 0.00 C ATOM 984 C THR A 68 -0.964 -1.408 -7.828 1.00 0.00 C ATOM 985 O THR A 68 -2.075 -1.691 -7.382 1.00 0.00 O ATOM 986 CB THR A 68 -0.004 -1.737 -10.175 1.00 0.00 C ATOM 987 OG1 THR A 68 -1.286 -1.754 -10.798 1.00 0.00 O ATOM 988 CG2 THR A 68 0.857 -2.631 -11.070 1.00 0.00 C ATOM 0 H THR A 68 -2.030 -3.421 -9.096 1.00 0.00 H new ATOM 0 HA THR A 68 0.715 -2.566 -8.342 1.00 0.00 H new ATOM 0 HB THR A 68 0.480 -0.768 -10.057 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.218 -1.370 -11.697 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.002 -2.147 -12.036 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.825 -2.795 -10.597 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.358 -3.589 -11.216 1.00 0.00 H new ATOM 996 N VAL A 69 -0.296 -0.303 -7.531 1.00 0.00 N ATOM 997 CA VAL A 69 -0.851 0.686 -6.622 1.00 0.00 C ATOM 998 C VAL A 69 -0.306 2.069 -6.986 1.00 0.00 C ATOM 999 O VAL A 69 0.880 2.215 -7.279 1.00 0.00 O ATOM 1000 CB VAL A 69 -0.558 0.290 -5.174 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -1.087 1.343 -4.199 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -1.135 -1.091 -4.856 1.00 0.00 C ATOM 0 H VAL A 69 0.625 -0.071 -7.904 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.936 0.728 -6.719 1.00 0.00 H new ATOM 0 HB VAL A 69 0.524 0.237 -5.054 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.865 1.036 -3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.608 2.301 -4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.165 1.443 -4.322 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.913 -1.349 -3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.215 -1.077 -5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.689 -1.833 -5.518 1.00 0.00 H new ATOM 1012 N ALA A 70 -1.197 3.048 -6.955 1.00 0.00 N ATOM 1013 CA ALA A 70 -0.820 4.414 -7.277 1.00 0.00 C ATOM 1014 C ALA A 70 -0.442 5.151 -5.991 1.00 0.00 C ATOM 1015 O ALA A 70 -1.014 4.895 -4.933 1.00 0.00 O ATOM 1016 CB ALA A 70 -1.967 5.097 -8.025 1.00 0.00 C ATOM 0 H ALA A 70 -2.180 2.923 -6.712 1.00 0.00 H new ATOM 0 HA ALA A 70 0.051 4.428 -7.932 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.685 6.122 -8.267 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.177 4.552 -8.945 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.858 5.105 -7.397 1.00 0.00 H new ATOM 1022 N VAL A 71 0.521 6.051 -6.124 1.00 0.00 N ATOM 1023 CA VAL A 71 0.983 6.827 -4.986 1.00 0.00 C ATOM 1024 C VAL A 71 1.059 8.304 -5.378 1.00 0.00 C ATOM 1025 O VAL A 71 1.981 8.717 -6.080 1.00 0.00 O ATOM 1026 CB VAL A 71 2.317 6.273 -4.481 1.00 0.00 C ATOM 1027 CG1 VAL A 71 2.770 7.003 -3.215 1.00 0.00 C ATOM 1028 CG2 VAL A 71 2.229 4.764 -4.243 1.00 0.00 C ATOM 0 H VAL A 71 0.994 6.260 -7.003 1.00 0.00 H new ATOM 0 HA VAL A 71 0.279 6.746 -4.158 1.00 0.00 H new ATOM 0 HB VAL A 71 3.066 6.447 -5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.720 6.590 -2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.892 8.064 -3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.021 6.876 -2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.190 4.396 -3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.460 4.557 -3.498 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.974 4.263 -5.177 1.00 0.00 H new ATOM 1038 N LYS A 72 0.078 9.060 -4.907 1.00 0.00 N ATOM 1039 CA LYS A 72 0.023 10.482 -5.200 1.00 0.00 C ATOM 1040 C LYS A 72 0.335 11.273 -3.928 1.00 0.00 C ATOM 1041 O LYS A 72 -0.357 11.135 -2.921 1.00 0.00 O ATOM 1042 CB LYS A 72 -1.320 10.846 -5.836 1.00 0.00 C ATOM 1043 CG LYS A 72 -1.233 12.183 -6.575 1.00 0.00 C ATOM 1044 CD LYS A 72 -2.567 12.930 -6.517 1.00 0.00 C ATOM 1045 CE LYS A 72 -3.445 12.579 -7.719 1.00 0.00 C ATOM 1046 NZ LYS A 72 -3.167 13.494 -8.849 1.00 0.00 N ATOM 0 H LYS A 72 -0.685 8.715 -4.325 1.00 0.00 H new ATOM 0 HA LYS A 72 0.781 10.749 -5.936 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.622 10.062 -6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.088 10.902 -5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.449 12.797 -6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.954 12.010 -7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.090 12.677 -5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.385 14.005 -6.496 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.260 11.549 -8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.497 12.645 -7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.772 13.242 -9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.366 14.473 -8.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.168 13.411 -9.125 1.00 0.00 H new ATOM 1060 N GLN A 73 1.379 12.084 -4.016 1.00 0.00 N ATOM 1061 CA GLN A 73 1.792 12.897 -2.884 1.00 0.00 C ATOM 1062 C GLN A 73 0.874 14.113 -2.741 1.00 0.00 C ATOM 1063 O GLN A 73 0.829 14.969 -3.624 1.00 0.00 O ATOM 1064 CB GLN A 73 3.254 13.327 -3.022 1.00 0.00 C ATOM 1065 CG GLN A 73 3.616 14.383 -1.976 1.00 0.00 C ATOM 1066 CD GLN A 73 5.131 14.580 -1.897 1.00 0.00 C ATOM 1067 OE1 GLN A 73 5.914 13.673 -2.130 1.00 0.00 O ATOM 1068 NE2 GLN A 73 5.500 15.812 -1.557 1.00 0.00 N ATOM 0 H GLN A 73 1.951 12.196 -4.853 1.00 0.00 H new ATOM 0 HA GLN A 73 1.709 12.295 -1.979 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.904 12.460 -2.908 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.427 13.726 -4.022 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.135 15.329 -2.227 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.234 14.080 -1.001 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.793 16.524 -1.376 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.490 16.044 -1.478 1.00 0.00 H new ATOM 1077 N LEU A 74 0.165 14.151 -1.623 1.00 0.00 N ATOM 1078 CA LEU A 74 -0.749 15.248 -1.353 1.00 0.00 C ATOM 1079 C LEU A 74 -0.179 16.117 -0.230 1.00 0.00 C ATOM 1080 O LEU A 74 -0.726 17.174 0.080 1.00 0.00 O ATOM 1081 CB LEU A 74 -2.155 14.716 -1.066 1.00 0.00 C ATOM 1082 CG LEU A 74 -2.421 13.267 -1.480 1.00 0.00 C ATOM 1083 CD1 LEU A 74 -3.554 12.660 -0.650 1.00 0.00 C ATOM 1084 CD2 LEU A 74 -2.693 13.167 -2.982 1.00 0.00 C ATOM 0 H LEU A 74 0.205 13.440 -0.893 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.848 15.886 -2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.346 14.808 0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.875 15.357 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.524 12.683 -1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.723 11.630 -0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.282 12.678 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.465 13.239 -0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.879 12.127 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.566 13.768 -3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.828 13.535 -3.534 1.00 0.00 H new ATOM 1096 N GLY A 75 0.913 15.638 0.348 1.00 0.00 N ATOM 1097 CA GLY A 75 1.563 16.358 1.430 1.00 0.00 C ATOM 1098 C GLY A 75 2.566 17.378 0.886 1.00 0.00 C ATOM 1099 O GLY A 75 2.322 18.005 -0.144 1.00 0.00 O ATOM 0 H GLY A 75 1.364 14.761 0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.813 16.867 2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.075 15.653 2.085 1.00 0.00 H new ATOM 1103 N VAL A 76 3.673 17.511 1.602 1.00 0.00 N ATOM 1104 CA VAL A 76 4.713 18.444 1.203 1.00 0.00 C ATOM 1105 C VAL A 76 6.050 17.705 1.120 1.00 0.00 C ATOM 1106 O VAL A 76 6.807 17.889 0.168 1.00 0.00 O ATOM 1107 CB VAL A 76 4.747 19.633 2.166 1.00 0.00 C ATOM 1108 CG1 VAL A 76 4.427 19.191 3.595 1.00 0.00 C ATOM 1109 CG2 VAL A 76 6.096 20.351 2.103 1.00 0.00 C ATOM 0 H VAL A 76 3.872 16.989 2.455 1.00 0.00 H new ATOM 0 HA VAL A 76 4.503 18.850 0.213 1.00 0.00 H new ATOM 0 HB VAL A 76 3.977 20.339 1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.458 20.055 4.259 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.432 18.746 3.624 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.163 18.456 3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.093 21.192 2.797 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.891 19.657 2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.267 20.717 1.090 1.00 0.00 H new ATOM 1119 N ASN A 77 6.300 16.883 2.129 1.00 0.00 N ATOM 1120 CA ASN A 77 7.532 16.115 2.182 1.00 0.00 C ATOM 1121 C ASN A 77 7.571 15.140 1.003 1.00 0.00 C ATOM 1122 O ASN A 77 6.549 14.563 0.636 1.00 0.00 O ATOM 1123 CB ASN A 77 7.618 15.299 3.473 1.00 0.00 C ATOM 1124 CG ASN A 77 8.178 16.144 4.619 1.00 0.00 C ATOM 1125 OD1 ASN A 77 9.368 16.392 4.718 1.00 0.00 O ATOM 1126 ND2 ASN A 77 7.256 16.570 5.477 1.00 0.00 N ATOM 0 H ASN A 77 5.670 16.732 2.917 1.00 0.00 H new ATOM 0 HA ASN A 77 8.367 16.814 2.142 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.628 14.928 3.740 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.253 14.427 3.315 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.529 17.141 6.277 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.276 16.326 5.335 1.00 0.00 H new ATOM 1133 N PRO A 78 8.793 14.983 0.428 1.00 0.00 N ATOM 1134 CA PRO A 78 8.979 14.088 -0.702 1.00 0.00 C ATOM 1135 C PRO A 78 8.964 12.626 -0.251 1.00 0.00 C ATOM 1136 O PRO A 78 9.734 12.234 0.625 1.00 0.00 O ATOM 1137 CB PRO A 78 10.303 14.505 -1.321 1.00 0.00 C ATOM 1138 CG PRO A 78 11.031 15.301 -0.250 1.00 0.00 C ATOM 1139 CD PRO A 78 10.026 15.650 0.836 1.00 0.00 C ATOM 0 HA PRO A 78 8.173 14.160 -1.433 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.884 13.634 -1.623 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.144 15.108 -2.215 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.854 14.719 0.165 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.463 16.207 -0.675 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.361 15.300 1.813 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.886 16.728 0.914 1.00 0.00 H new ATOM 1147 N SER A 79 8.079 11.858 -0.870 1.00 0.00 N ATOM 1148 CA SER A 79 7.954 10.448 -0.544 1.00 0.00 C ATOM 1149 C SER A 79 8.763 9.607 -1.534 1.00 0.00 C ATOM 1150 O SER A 79 9.072 10.064 -2.633 1.00 0.00 O ATOM 1151 CB SER A 79 6.488 10.009 -0.549 1.00 0.00 C ATOM 1152 OG SER A 79 5.829 10.334 0.672 1.00 0.00 O ATOM 0 H SER A 79 7.442 12.186 -1.596 1.00 0.00 H new ATOM 0 HA SER A 79 8.348 10.294 0.460 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.969 10.488 -1.380 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.432 8.933 -0.716 1.00 0.00 H new ATOM 0 HG SER A 79 6.205 9.796 1.400 1.00 0.00 H new ATOM 1158 N THR A 80 9.082 8.394 -1.108 1.00 0.00 N ATOM 1159 CA THR A 80 9.850 7.486 -1.944 1.00 0.00 C ATOM 1160 C THR A 80 9.026 6.239 -2.272 1.00 0.00 C ATOM 1161 O THR A 80 8.637 5.493 -1.375 1.00 0.00 O ATOM 1162 CB THR A 80 11.162 7.174 -1.222 1.00 0.00 C ATOM 1163 OG1 THR A 80 11.809 8.439 -1.115 1.00 0.00 O ATOM 1164 CG2 THR A 80 12.117 6.339 -2.077 1.00 0.00 C ATOM 0 H THR A 80 8.823 8.019 -0.196 1.00 0.00 H new ATOM 0 HA THR A 80 10.091 7.941 -2.905 1.00 0.00 H new ATOM 0 HB THR A 80 10.948 6.644 -0.294 1.00 0.00 H new ATOM 0 HG1 THR A 80 12.668 8.329 -0.657 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.032 6.146 -1.517 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.642 5.392 -2.334 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.358 6.883 -2.990 1.00 0.00 H new ATOM 1172 N VAL A 81 8.784 6.052 -3.561 1.00 0.00 N ATOM 1173 CA VAL A 81 8.014 4.908 -4.020 1.00 0.00 C ATOM 1174 C VAL A 81 8.969 3.821 -4.517 1.00 0.00 C ATOM 1175 O VAL A 81 9.118 3.626 -5.723 1.00 0.00 O ATOM 1176 CB VAL A 81 7.004 5.349 -5.082 1.00 0.00 C ATOM 1177 CG1 VAL A 81 6.553 4.162 -5.936 1.00 0.00 C ATOM 1178 CG2 VAL A 81 5.805 6.050 -4.440 1.00 0.00 C ATOM 0 H VAL A 81 9.108 6.673 -4.302 1.00 0.00 H new ATOM 0 HA VAL A 81 7.437 4.482 -3.199 1.00 0.00 H new ATOM 0 HB VAL A 81 7.499 6.065 -5.738 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.836 4.503 -6.683 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.417 3.724 -6.436 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.085 3.412 -5.298 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.102 6.353 -5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.310 5.366 -3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.147 6.930 -3.896 1.00 0.00 H new ATOM 1188 N GLY A 82 9.591 3.143 -3.564 1.00 0.00 N ATOM 1189 CA GLY A 82 10.527 2.081 -3.891 1.00 0.00 C ATOM 1190 C GLY A 82 11.971 2.581 -3.815 1.00 0.00 C ATOM 1191 O GLY A 82 12.569 2.602 -2.740 1.00 0.00 O ATOM 0 H GLY A 82 9.465 3.308 -2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.391 1.246 -3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.321 1.705 -4.893 1.00 0.00 H new ATOM 1195 N VAL A 83 12.490 2.972 -4.970 1.00 0.00 N ATOM 1196 CA VAL A 83 13.852 3.471 -5.048 1.00 0.00 C ATOM 1197 C VAL A 83 13.861 4.804 -5.797 1.00 0.00 C ATOM 1198 O VAL A 83 14.902 5.238 -6.289 1.00 0.00 O ATOM 1199 CB VAL A 83 14.759 2.418 -5.690 1.00 0.00 C ATOM 1200 CG1 VAL A 83 14.479 2.295 -7.189 1.00 0.00 C ATOM 1201 CG2 VAL A 83 16.233 2.734 -5.431 1.00 0.00 C ATOM 0 H VAL A 83 11.991 2.953 -5.860 1.00 0.00 H new ATOM 0 HA VAL A 83 14.248 3.657 -4.050 1.00 0.00 H new ATOM 0 HB VAL A 83 14.537 1.456 -5.228 1.00 0.00 H new ATOM 0 HG11 VAL A 83 15.136 1.541 -7.621 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.440 2.002 -7.342 1.00 0.00 H new ATOM 0 HG13 VAL A 83 14.661 3.255 -7.673 1.00 0.00 H new ATOM 0 HG21 VAL A 83 16.856 1.971 -5.897 1.00 0.00 H new ATOM 0 HG22 VAL A 83 16.476 3.709 -5.854 1.00 0.00 H new ATOM 0 HG23 VAL A 83 16.419 2.748 -4.357 1.00 0.00 H new ATOM 1211 N GLN A 84 12.688 5.418 -5.862 1.00 0.00 N ATOM 1212 CA GLN A 84 12.547 6.694 -6.543 1.00 0.00 C ATOM 1213 C GLN A 84 11.933 7.733 -5.603 1.00 0.00 C ATOM 1214 O GLN A 84 11.059 7.409 -4.800 1.00 0.00 O ATOM 1215 CB GLN A 84 11.712 6.546 -7.817 1.00 0.00 C ATOM 1216 CG GLN A 84 11.376 7.914 -8.414 1.00 0.00 C ATOM 1217 CD GLN A 84 11.137 7.810 -9.922 1.00 0.00 C ATOM 1218 OE1 GLN A 84 10.723 6.787 -10.441 1.00 0.00 O ATOM 1219 NE2 GLN A 84 11.419 8.923 -10.592 1.00 0.00 N ATOM 0 H GLN A 84 11.826 5.055 -5.454 1.00 0.00 H new ATOM 0 HA GLN A 84 13.539 7.039 -6.835 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.259 5.951 -8.548 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.792 6.007 -7.592 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.488 8.319 -7.928 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.191 8.610 -8.218 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.762 9.745 -10.095 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.292 8.955 -11.604 1.00 0.00 H new ATOM 1228 N GLU A 85 12.415 8.960 -5.733 1.00 0.00 N ATOM 1229 CA GLU A 85 11.925 10.049 -4.905 1.00 0.00 C ATOM 1230 C GLU A 85 10.771 10.769 -5.605 1.00 0.00 C ATOM 1231 O GLU A 85 10.863 11.094 -6.788 1.00 0.00 O ATOM 1232 CB GLU A 85 13.051 11.025 -4.559 1.00 0.00 C ATOM 1233 CG GLU A 85 13.023 11.390 -3.074 1.00 0.00 C ATOM 1234 CD GLU A 85 14.407 11.223 -2.442 1.00 0.00 C ATOM 1235 OE1 GLU A 85 15.333 11.917 -2.914 1.00 0.00 O ATOM 1236 OE2 GLU A 85 14.507 10.406 -1.502 1.00 0.00 O ATOM 0 H GLU A 85 13.140 9.224 -6.400 1.00 0.00 H new ATOM 0 HA GLU A 85 11.553 9.630 -3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 85 14.013 10.579 -4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.952 11.928 -5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.687 12.420 -2.955 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.303 10.758 -2.554 1.00 0.00 H new ATOM 1243 N LEU A 86 9.710 10.998 -4.844 1.00 0.00 N ATOM 1244 CA LEU A 86 8.539 11.674 -5.376 1.00 0.00 C ATOM 1245 C LEU A 86 8.626 13.167 -5.051 1.00 0.00 C ATOM 1246 O LEU A 86 9.646 13.639 -4.551 1.00 0.00 O ATOM 1247 CB LEU A 86 7.259 11.008 -4.869 1.00 0.00 C ATOM 1248 CG LEU A 86 6.854 9.711 -5.572 1.00 0.00 C ATOM 1249 CD1 LEU A 86 5.402 9.346 -5.257 1.00 0.00 C ATOM 1250 CD2 LEU A 86 7.108 9.801 -7.079 1.00 0.00 C ATOM 0 H LEU A 86 9.637 10.727 -3.863 1.00 0.00 H new ATOM 0 HA LEU A 86 8.508 11.585 -6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.378 10.800 -3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.440 11.721 -4.964 1.00 0.00 H new ATOM 0 HG LEU A 86 7.479 8.905 -5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.140 8.420 -5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.286 9.211 -4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.744 10.146 -5.595 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.812 8.866 -7.554 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.526 10.622 -7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.168 9.979 -7.259 1.00 0.00 H new ATOM 1262 N LYS A 87 7.542 13.868 -5.348 1.00 0.00 N ATOM 1263 CA LYS A 87 7.483 15.298 -5.094 1.00 0.00 C ATOM 1264 C LYS A 87 6.067 15.675 -4.654 1.00 0.00 C ATOM 1265 O LYS A 87 5.147 14.864 -4.748 1.00 0.00 O ATOM 1266 CB LYS A 87 7.976 16.080 -6.313 1.00 0.00 C ATOM 1267 CG LYS A 87 9.424 16.538 -6.121 1.00 0.00 C ATOM 1268 CD LYS A 87 10.059 16.922 -7.459 1.00 0.00 C ATOM 1269 CE LYS A 87 11.572 16.696 -7.433 1.00 0.00 C ATOM 1270 NZ LYS A 87 12.280 17.963 -7.141 1.00 0.00 N ATOM 0 H LYS A 87 6.698 13.473 -5.762 1.00 0.00 H new ATOM 0 HA LYS A 87 8.154 15.568 -4.278 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.903 15.456 -7.204 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.335 16.946 -6.477 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.453 17.391 -5.443 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.003 15.740 -5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.613 16.332 -8.260 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.848 17.969 -7.679 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.821 15.951 -6.678 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.903 16.300 -8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.306 17.792 -7.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.056 18.663 -7.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.977 18.325 -6.214 1.00 0.00 H new ATOM 1284 N PRO A 88 5.933 16.938 -4.169 1.00 0.00 N ATOM 1285 CA PRO A 88 4.645 17.433 -3.714 1.00 0.00 C ATOM 1286 C PRO A 88 3.730 17.753 -4.898 1.00 0.00 C ATOM 1287 O PRO A 88 3.818 18.832 -5.481 1.00 0.00 O ATOM 1288 CB PRO A 88 4.968 18.653 -2.867 1.00 0.00 C ATOM 1289 CG PRO A 88 6.377 19.069 -3.257 1.00 0.00 C ATOM 1290 CD PRO A 88 7.000 17.926 -4.042 1.00 0.00 C ATOM 0 HA PRO A 88 4.094 16.695 -3.131 1.00 0.00 H new ATOM 0 HB2 PRO A 88 4.257 19.458 -3.054 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.910 18.417 -1.804 1.00 0.00 H new ATOM 0 HG2 PRO A 88 6.354 19.977 -3.859 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.969 19.290 -2.369 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.348 18.260 -5.019 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.863 17.512 -3.521 1.00 0.00 H new ATOM 1298 N GLY A 89 2.873 16.794 -5.219 1.00 0.00 N ATOM 1299 CA GLY A 89 1.944 16.960 -6.323 1.00 0.00 C ATOM 1300 C GLY A 89 2.236 15.957 -7.441 1.00 0.00 C ATOM 1301 O GLY A 89 1.603 15.996 -8.495 1.00 0.00 O ATOM 0 H GLY A 89 2.803 15.900 -4.733 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.923 16.826 -5.967 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.015 17.975 -6.713 1.00 0.00 H new ATOM 1305 N LEU A 90 3.194 15.083 -7.173 1.00 0.00 N ATOM 1306 CA LEU A 90 3.577 14.071 -8.143 1.00 0.00 C ATOM 1307 C LEU A 90 2.725 12.818 -7.930 1.00 0.00 C ATOM 1308 O LEU A 90 1.890 12.777 -7.028 1.00 0.00 O ATOM 1309 CB LEU A 90 5.083 13.809 -8.077 1.00 0.00 C ATOM 1310 CG LEU A 90 5.762 13.462 -9.404 1.00 0.00 C ATOM 1311 CD1 LEU A 90 5.259 14.368 -10.530 1.00 0.00 C ATOM 1312 CD2 LEU A 90 7.285 13.508 -9.269 1.00 0.00 C ATOM 0 H LEU A 90 3.717 15.054 -6.298 1.00 0.00 H new ATOM 0 HA LEU A 90 3.382 14.421 -9.157 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.568 14.693 -7.664 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.259 12.992 -7.377 1.00 0.00 H new ATOM 0 HG LEU A 90 5.493 12.439 -9.668 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.757 14.101 -11.462 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.182 14.242 -10.645 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.479 15.407 -10.286 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.743 13.258 -10.226 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.594 14.510 -8.970 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.605 12.789 -8.514 1.00 0.00 H new ATOM 1324 N SER A 91 2.966 11.827 -8.776 1.00 0.00 N ATOM 1325 CA SER A 91 2.231 10.576 -8.691 1.00 0.00 C ATOM 1326 C SER A 91 3.060 9.441 -9.296 1.00 0.00 C ATOM 1327 O SER A 91 3.624 9.589 -10.379 1.00 0.00 O ATOM 1328 CB SER A 91 0.879 10.683 -9.400 1.00 0.00 C ATOM 1329 OG SER A 91 0.650 11.990 -9.918 1.00 0.00 O ATOM 0 H SER A 91 3.659 11.865 -9.523 1.00 0.00 H new ATOM 0 HA SER A 91 2.043 10.359 -7.639 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.838 9.958 -10.213 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.082 10.425 -8.702 1.00 0.00 H new ATOM 0 HG SER A 91 -0.222 12.017 -10.364 1.00 0.00 H new ATOM 1335 N GLY A 92 3.106 8.334 -8.571 1.00 0.00 N ATOM 1336 CA GLY A 92 3.856 7.174 -9.022 1.00 0.00 C ATOM 1337 C GLY A 92 3.051 5.888 -8.823 1.00 0.00 C ATOM 1338 O GLY A 92 1.856 5.939 -8.534 1.00 0.00 O ATOM 0 H GLY A 92 2.636 8.215 -7.674 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.110 7.288 -10.076 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.795 7.108 -8.473 1.00 0.00 H new ATOM 1342 N SER A 93 3.737 4.767 -8.985 1.00 0.00 N ATOM 1343 CA SER A 93 3.100 3.470 -8.827 1.00 0.00 C ATOM 1344 C SER A 93 3.990 2.549 -7.990 1.00 0.00 C ATOM 1345 O SER A 93 5.211 2.701 -7.980 1.00 0.00 O ATOM 1346 CB SER A 93 2.805 2.832 -10.186 1.00 0.00 C ATOM 1347 OG SER A 93 1.656 3.404 -10.806 1.00 0.00 O ATOM 0 H SER A 93 4.728 4.729 -9.224 1.00 0.00 H new ATOM 0 HA SER A 93 2.151 3.615 -8.311 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.669 2.955 -10.839 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.652 1.760 -10.058 1.00 0.00 H new ATOM 0 HG SER A 93 1.502 2.971 -11.672 1.00 0.00 H new ATOM 1353 N LEU A 94 3.345 1.614 -7.309 1.00 0.00 N ATOM 1354 CA LEU A 94 4.063 0.668 -6.472 1.00 0.00 C ATOM 1355 C LEU A 94 3.770 -0.755 -6.951 1.00 0.00 C ATOM 1356 O LEU A 94 2.613 -1.122 -7.150 1.00 0.00 O ATOM 1357 CB LEU A 94 3.731 0.900 -4.996 1.00 0.00 C ATOM 1358 CG LEU A 94 4.912 1.260 -4.092 1.00 0.00 C ATOM 1359 CD1 LEU A 94 4.873 2.738 -3.701 1.00 0.00 C ATOM 1360 CD2 LEU A 94 4.964 0.344 -2.867 1.00 0.00 C ATOM 0 H LEU A 94 2.332 1.491 -7.320 1.00 0.00 H new ATOM 0 HA LEU A 94 5.139 0.820 -6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.993 1.699 -4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.260 -0.001 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 94 5.833 1.100 -4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.723 2.967 -3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.921 3.353 -4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.947 2.948 -3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.812 0.621 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.042 0.448 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.075 -0.691 -3.191 1.00 0.00 H new ATOM 1372 N SER A 95 4.839 -1.519 -7.123 1.00 0.00 N ATOM 1373 CA SER A 95 4.712 -2.894 -7.575 1.00 0.00 C ATOM 1374 C SER A 95 4.720 -3.842 -6.374 1.00 0.00 C ATOM 1375 O SER A 95 5.381 -3.575 -5.372 1.00 0.00 O ATOM 1376 CB SER A 95 5.834 -3.260 -8.548 1.00 0.00 C ATOM 1377 OG SER A 95 6.339 -2.118 -9.235 1.00 0.00 O ATOM 0 H SER A 95 5.797 -1.212 -6.957 1.00 0.00 H new ATOM 0 HA SER A 95 3.764 -2.994 -8.103 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.645 -3.742 -8.002 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.463 -3.985 -9.273 1.00 0.00 H new ATOM 0 HG SER A 95 7.055 -2.393 -9.845 1.00 0.00 H new ATOM 1383 N LEU A 96 3.977 -4.931 -6.516 1.00 0.00 N ATOM 1384 CA LEU A 96 3.890 -5.920 -5.455 1.00 0.00 C ATOM 1385 C LEU A 96 5.287 -6.174 -4.885 1.00 0.00 C ATOM 1386 O LEU A 96 6.137 -6.760 -5.553 1.00 0.00 O ATOM 1387 CB LEU A 96 3.192 -7.185 -5.959 1.00 0.00 C ATOM 1388 CG LEU A 96 1.790 -7.443 -5.404 1.00 0.00 C ATOM 1389 CD1 LEU A 96 1.105 -8.587 -6.155 1.00 0.00 C ATOM 1390 CD2 LEU A 96 1.834 -7.694 -3.895 1.00 0.00 C ATOM 0 H LEU A 96 3.431 -5.149 -7.349 1.00 0.00 H new ATOM 0 HA LEU A 96 3.274 -5.548 -4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.127 -7.132 -7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.820 -8.043 -5.719 1.00 0.00 H new ATOM 0 HG LEU A 96 1.190 -6.547 -5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.110 -8.750 -5.741 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.021 -8.330 -7.211 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.696 -9.497 -6.049 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.824 -7.874 -3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.456 -8.565 -3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.253 -6.822 -3.393 1.00 0.00 H new ATOM 1402 N GLY A 97 5.481 -5.720 -3.655 1.00 0.00 N ATOM 1403 CA GLY A 97 6.760 -5.891 -2.987 1.00 0.00 C ATOM 1404 C GLY A 97 7.451 -4.543 -2.775 1.00 0.00 C ATOM 1405 O GLY A 97 8.108 -4.332 -1.756 1.00 0.00 O ATOM 0 H GLY A 97 4.774 -5.234 -3.104 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.610 -6.382 -2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.401 -6.543 -3.581 1.00 0.00 H new ATOM 1409 N ASP A 98 7.280 -3.665 -3.752 1.00 0.00 N ATOM 1410 CA ASP A 98 7.880 -2.343 -3.685 1.00 0.00 C ATOM 1411 C ASP A 98 7.536 -1.700 -2.340 1.00 0.00 C ATOM 1412 O ASP A 98 6.482 -1.972 -1.769 1.00 0.00 O ATOM 1413 CB ASP A 98 7.341 -1.437 -4.794 1.00 0.00 C ATOM 1414 CG ASP A 98 8.014 -1.613 -6.157 1.00 0.00 C ATOM 1415 OD1 ASP A 98 8.265 -2.783 -6.519 1.00 0.00 O ATOM 1416 OD2 ASP A 98 8.261 -0.574 -6.806 1.00 0.00 O ATOM 0 H ASP A 98 6.734 -3.843 -4.595 1.00 0.00 H new ATOM 0 HA ASP A 98 8.958 -2.455 -3.803 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.273 -1.622 -4.907 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.454 -0.399 -4.481 1.00 0.00 H new ATOM 1421 N VAL A 99 8.447 -0.859 -1.873 1.00 0.00 N ATOM 1422 CA VAL A 99 8.254 -0.175 -0.606 1.00 0.00 C ATOM 1423 C VAL A 99 7.702 1.228 -0.868 1.00 0.00 C ATOM 1424 O VAL A 99 7.719 1.704 -2.002 1.00 0.00 O ATOM 1425 CB VAL A 99 9.562 -0.164 0.188 1.00 0.00 C ATOM 1426 CG1 VAL A 99 9.392 0.581 1.514 1.00 0.00 C ATOM 1427 CG2 VAL A 99 10.075 -1.586 0.419 1.00 0.00 C ATOM 0 H VAL A 99 9.321 -0.636 -2.349 1.00 0.00 H new ATOM 0 HA VAL A 99 7.523 -0.704 0.006 1.00 0.00 H new ATOM 0 HB VAL A 99 10.308 0.369 -0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 99 10.336 0.574 2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 99 9.094 1.611 1.317 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.625 0.089 2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 99 11.006 -1.550 0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.332 -2.155 0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 99 10.254 -2.069 -0.542 1.00 0.00 H new ATOM 1437 N LEU A 100 7.225 1.851 0.200 1.00 0.00 N ATOM 1438 CA LEU A 100 6.669 3.189 0.100 1.00 0.00 C ATOM 1439 C LEU A 100 6.938 3.947 1.402 1.00 0.00 C ATOM 1440 O LEU A 100 6.089 3.983 2.291 1.00 0.00 O ATOM 1441 CB LEU A 100 5.188 3.127 -0.280 1.00 0.00 C ATOM 1442 CG LEU A 100 4.421 4.449 -0.205 1.00 0.00 C ATOM 1443 CD1 LEU A 100 4.992 5.472 -1.188 1.00 0.00 C ATOM 1444 CD2 LEU A 100 2.922 4.225 -0.417 1.00 0.00 C ATOM 0 H LEU A 100 7.212 1.453 1.139 1.00 0.00 H new ATOM 0 HA LEU A 100 7.157 3.745 -0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.110 2.742 -1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.696 2.406 0.373 1.00 0.00 H new ATOM 0 HG LEU A 100 4.547 4.861 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.428 6.402 -1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.038 5.662 -0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.917 5.082 -2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.400 5.180 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.756 3.780 -1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.541 3.556 0.355 1.00 0.00 H new ATOM 1456 N TYR A 101 8.124 4.535 1.473 1.00 0.00 N ATOM 1457 CA TYR A 101 8.516 5.290 2.650 1.00 0.00 C ATOM 1458 C TYR A 101 7.582 6.481 2.874 1.00 0.00 C ATOM 1459 O TYR A 101 7.721 7.514 2.222 1.00 0.00 O ATOM 1460 CB TYR A 101 9.927 5.810 2.368 1.00 0.00 C ATOM 1461 CG TYR A 101 10.976 4.707 2.209 1.00 0.00 C ATOM 1462 CD1 TYR A 101 11.557 4.143 3.326 1.00 0.00 C ATOM 1463 CD2 TYR A 101 11.341 4.278 0.950 1.00 0.00 C ATOM 1464 CE1 TYR A 101 12.545 3.105 3.177 1.00 0.00 C ATOM 1465 CE2 TYR A 101 12.328 3.240 0.800 1.00 0.00 C ATOM 1466 CZ TYR A 101 12.881 2.705 1.921 1.00 0.00 C ATOM 1467 OH TYR A 101 13.814 1.726 1.780 1.00 0.00 O ATOM 0 H TYR A 101 8.826 4.503 0.734 1.00 0.00 H new ATOM 0 HA TYR A 101 8.472 4.662 3.540 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.907 6.412 1.459 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.229 6.470 3.181 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.271 4.479 4.312 1.00 0.00 H new ATOM 0 HD2 TYR A 101 10.886 4.721 0.076 1.00 0.00 H new ATOM 0 HE1 TYR A 101 13.008 2.655 4.043 1.00 0.00 H new ATOM 0 HE2 TYR A 101 12.622 2.895 -0.180 1.00 0.00 H new ATOM 0 HH TYR A 101 13.953 1.542 0.828 1.00 0.00 H new ATOM 1477 N LEU A 102 6.650 6.296 3.798 1.00 0.00 N ATOM 1478 CA LEU A 102 5.694 7.343 4.116 1.00 0.00 C ATOM 1479 C LEU A 102 6.385 8.705 4.025 1.00 0.00 C ATOM 1480 O LEU A 102 5.981 9.558 3.236 1.00 0.00 O ATOM 1481 CB LEU A 102 5.038 7.075 5.472 1.00 0.00 C ATOM 1482 CG LEU A 102 3.514 6.937 5.465 1.00 0.00 C ATOM 1483 CD1 LEU A 102 3.078 5.639 6.147 1.00 0.00 C ATOM 1484 CD2 LEU A 102 2.850 8.165 6.092 1.00 0.00 C ATOM 0 H LEU A 102 6.537 5.437 4.336 1.00 0.00 H new ATOM 0 HA LEU A 102 4.881 7.350 3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.464 6.160 5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.306 7.886 6.150 1.00 0.00 H new ATOM 0 HG LEU A 102 3.180 6.884 4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.991 5.566 6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.508 4.788 5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.424 5.637 7.181 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.767 8.042 6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.186 8.274 7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.123 9.055 5.525 1.00 0.00 H new ATOM 1496 N VAL A 103 7.415 8.866 4.842 1.00 0.00 N ATOM 1497 CA VAL A 103 8.166 10.109 4.864 1.00 0.00 C ATOM 1498 C VAL A 103 9.490 9.888 5.597 1.00 0.00 C ATOM 1499 O VAL A 103 9.678 8.863 6.252 1.00 0.00 O ATOM 1500 CB VAL A 103 7.318 11.222 5.483 1.00 0.00 C ATOM 1501 CG1 VAL A 103 6.727 10.779 6.823 1.00 0.00 C ATOM 1502 CG2 VAL A 103 8.132 12.508 5.641 1.00 0.00 C ATOM 0 H VAL A 103 7.747 8.156 5.494 1.00 0.00 H new ATOM 0 HA VAL A 103 8.406 10.428 3.850 1.00 0.00 H new ATOM 0 HB VAL A 103 6.491 11.431 4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.129 11.588 7.242 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.097 9.903 6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.534 10.530 7.512 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.506 13.283 6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.988 12.320 6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.483 12.839 4.664 1.00 0.00 H new ATOM 1512 N ASN A 104 10.375 10.865 5.463 1.00 0.00 N ATOM 1513 CA ASN A 104 11.676 10.789 6.105 1.00 0.00 C ATOM 1514 C ASN A 104 12.349 9.468 5.730 1.00 0.00 C ATOM 1515 O ASN A 104 13.156 8.940 6.493 1.00 0.00 O ATOM 1516 CB ASN A 104 11.543 10.837 7.628 1.00 0.00 C ATOM 1517 CG ASN A 104 12.486 11.880 8.229 1.00 0.00 C ATOM 1518 OD1 ASN A 104 13.648 11.623 8.498 1.00 0.00 O ATOM 1519 ND2 ASN A 104 11.923 13.069 8.425 1.00 0.00 N ATOM 0 H ASN A 104 10.216 11.713 4.919 1.00 0.00 H new ATOM 0 HA ASN A 104 12.268 11.640 5.768 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.514 11.073 7.899 1.00 0.00 H new ATOM 0 HB3 ASN A 104 11.766 9.856 8.047 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.470 13.833 8.823 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.945 13.217 8.178 1.00 0.00 H new ATOM 1526 N GLY A 105 11.992 8.971 4.555 1.00 0.00 N ATOM 1527 CA GLY A 105 12.551 7.721 4.069 1.00 0.00 C ATOM 1528 C GLY A 105 12.365 6.602 5.096 1.00 0.00 C ATOM 1529 O GLY A 105 13.044 5.578 5.034 1.00 0.00 O ATOM 0 H GLY A 105 11.322 9.412 3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 105 12.069 7.443 3.132 1.00 0.00 H new ATOM 0 HA3 GLY A 105 13.612 7.851 3.856 1.00 0.00 H new ATOM 1533 N LEU A 106 11.441 6.834 6.016 1.00 0.00 N ATOM 1534 CA LEU A 106 11.157 5.859 7.055 1.00 0.00 C ATOM 1535 C LEU A 106 9.756 5.282 6.837 1.00 0.00 C ATOM 1536 O LEU A 106 9.127 5.541 5.813 1.00 0.00 O ATOM 1537 CB LEU A 106 11.359 6.476 8.440 1.00 0.00 C ATOM 1538 CG LEU A 106 12.807 6.763 8.841 1.00 0.00 C ATOM 1539 CD1 LEU A 106 12.874 7.414 10.224 1.00 0.00 C ATOM 1540 CD2 LEU A 106 13.659 5.494 8.763 1.00 0.00 C ATOM 0 H LEU A 106 10.879 7.684 6.064 1.00 0.00 H new ATOM 0 HA LEU A 106 11.858 5.027 6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 106 10.798 7.410 8.485 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.923 5.806 9.181 1.00 0.00 H new ATOM 0 HG LEU A 106 13.224 7.475 8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.914 7.608 10.485 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.322 8.354 10.211 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.433 6.745 10.963 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.684 5.725 9.053 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.252 4.741 9.438 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.648 5.111 7.743 1.00 0.00 H new ATOM 1552 N TYR A 107 9.310 4.510 7.818 1.00 0.00 N ATOM 1553 CA TYR A 107 7.996 3.895 7.746 1.00 0.00 C ATOM 1554 C TYR A 107 7.734 3.321 6.352 1.00 0.00 C ATOM 1555 O TYR A 107 6.804 3.744 5.668 1.00 0.00 O ATOM 1556 CB TYR A 107 6.990 5.014 8.021 1.00 0.00 C ATOM 1557 CG TYR A 107 7.397 5.950 9.161 1.00 0.00 C ATOM 1558 CD1 TYR A 107 7.622 5.442 10.424 1.00 0.00 C ATOM 1559 CD2 TYR A 107 7.539 7.303 8.926 1.00 0.00 C ATOM 1560 CE1 TYR A 107 8.005 6.323 11.497 1.00 0.00 C ATOM 1561 CE2 TYR A 107 7.922 8.184 9.999 1.00 0.00 C ATOM 1562 CZ TYR A 107 8.136 7.651 11.231 1.00 0.00 C ATOM 1563 OH TYR A 107 8.498 8.483 12.244 1.00 0.00 O ATOM 0 H TYR A 107 9.835 4.297 8.666 1.00 0.00 H new ATOM 0 HA TYR A 107 7.917 3.077 8.461 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.858 5.601 7.112 1.00 0.00 H new ATOM 0 HB3 TYR A 107 6.023 4.570 8.257 1.00 0.00 H new ATOM 0 HD1 TYR A 107 7.511 4.384 10.608 1.00 0.00 H new ATOM 0 HD2 TYR A 107 7.363 7.701 7.937 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.184 5.938 12.490 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.037 9.244 9.829 1.00 0.00 H new ATOM 0 HH TYR A 107 8.554 9.402 11.908 1.00 0.00 H new ATOM 1573 N PRO A 108 8.593 2.341 5.963 1.00 0.00 N ATOM 1574 CA PRO A 108 8.464 1.705 4.663 1.00 0.00 C ATOM 1575 C PRO A 108 7.287 0.728 4.645 1.00 0.00 C ATOM 1576 O PRO A 108 7.246 -0.214 5.435 1.00 0.00 O ATOM 1577 CB PRO A 108 9.803 1.027 4.422 1.00 0.00 C ATOM 1578 CG PRO A 108 10.465 0.915 5.786 1.00 0.00 C ATOM 1579 CD PRO A 108 9.706 1.815 6.748 1.00 0.00 C ATOM 0 HA PRO A 108 8.244 2.416 3.867 1.00 0.00 H new ATOM 0 HB2 PRO A 108 9.667 0.044 3.972 1.00 0.00 H new ATOM 0 HB3 PRO A 108 10.418 1.610 3.736 1.00 0.00 H new ATOM 0 HG2 PRO A 108 10.448 -0.117 6.135 1.00 0.00 H new ATOM 0 HG3 PRO A 108 11.511 1.214 5.728 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.351 1.258 7.615 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.340 2.618 7.123 1.00 0.00 H new ATOM 1587 N LEU A 109 6.359 0.986 3.736 1.00 0.00 N ATOM 1588 CA LEU A 109 5.184 0.141 3.605 1.00 0.00 C ATOM 1589 C LEU A 109 5.370 -0.803 2.416 1.00 0.00 C ATOM 1590 O LEU A 109 5.518 -0.355 1.280 1.00 0.00 O ATOM 1591 CB LEU A 109 3.917 0.994 3.520 1.00 0.00 C ATOM 1592 CG LEU A 109 3.439 1.619 4.833 1.00 0.00 C ATOM 1593 CD1 LEU A 109 3.030 0.539 5.837 1.00 0.00 C ATOM 1594 CD2 LEU A 109 4.497 2.564 5.407 1.00 0.00 C ATOM 0 H LEU A 109 6.397 1.768 3.083 1.00 0.00 H new ATOM 0 HA LEU A 109 5.062 -0.482 4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 109 4.090 1.795 2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.113 0.376 3.121 1.00 0.00 H new ATOM 0 HG LEU A 109 2.552 2.217 4.624 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.694 1.010 6.761 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.220 -0.058 5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.884 -0.105 6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.133 2.995 6.340 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.415 2.009 5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.698 3.362 4.693 1.00 0.00 H new ATOM 1606 N THR A 110 5.358 -2.093 2.718 1.00 0.00 N ATOM 1607 CA THR A 110 5.524 -3.104 1.688 1.00 0.00 C ATOM 1608 C THR A 110 4.162 -3.542 1.145 1.00 0.00 C ATOM 1609 O THR A 110 3.283 -3.937 1.910 1.00 0.00 O ATOM 1610 CB THR A 110 6.340 -4.255 2.281 1.00 0.00 C ATOM 1611 OG1 THR A 110 7.642 -3.703 2.455 1.00 0.00 O ATOM 1612 CG2 THR A 110 6.549 -5.399 1.287 1.00 0.00 C ATOM 0 H THR A 110 5.236 -2.461 3.661 1.00 0.00 H new ATOM 0 HA THR A 110 6.069 -2.708 0.831 1.00 0.00 H new ATOM 0 HB THR A 110 5.837 -4.636 3.170 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.237 -4.382 2.837 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.134 -6.189 1.759 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.581 -5.797 0.982 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.081 -5.027 0.411 1.00 0.00 H new ATOM 1620 N LEU A 111 4.029 -3.457 -0.170 1.00 0.00 N ATOM 1621 CA LEU A 111 2.789 -3.839 -0.823 1.00 0.00 C ATOM 1622 C LEU A 111 2.736 -5.363 -0.956 1.00 0.00 C ATOM 1623 O LEU A 111 3.683 -5.981 -1.441 1.00 0.00 O ATOM 1624 CB LEU A 111 2.635 -3.101 -2.154 1.00 0.00 C ATOM 1625 CG LEU A 111 1.332 -3.355 -2.916 1.00 0.00 C ATOM 1626 CD1 LEU A 111 0.127 -2.836 -2.129 1.00 0.00 C ATOM 1627 CD2 LEU A 111 1.396 -2.761 -4.324 1.00 0.00 C ATOM 0 H LEU A 111 4.760 -3.129 -0.801 1.00 0.00 H new ATOM 0 HA LEU A 111 1.933 -3.541 -0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.719 -2.031 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.469 -3.378 -2.799 1.00 0.00 H new ATOM 0 HG LEU A 111 1.205 -4.432 -3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.786 -3.029 -2.692 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.074 -3.345 -1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.233 -1.763 -1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.458 -2.955 -4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.558 -1.685 -4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.218 -3.219 -4.875 1.00 0.00 H new ATOM 1639 N ARG A 112 1.619 -5.924 -0.516 1.00 0.00 N ATOM 1640 CA ARG A 112 1.430 -7.364 -0.579 1.00 0.00 C ATOM 1641 C ARG A 112 0.109 -7.695 -1.276 1.00 0.00 C ATOM 1642 O ARG A 112 -0.740 -6.823 -1.452 1.00 0.00 O ATOM 1643 CB ARG A 112 1.430 -7.981 0.820 1.00 0.00 C ATOM 1644 CG ARG A 112 2.833 -7.956 1.431 1.00 0.00 C ATOM 1645 CD ARG A 112 3.727 -9.023 0.796 1.00 0.00 C ATOM 1646 NE ARG A 112 5.133 -8.816 1.208 1.00 0.00 N ATOM 1647 CZ ARG A 112 6.110 -9.713 1.022 1.00 0.00 C ATOM 1648 NH1 ARG A 112 5.840 -10.885 0.430 1.00 0.00 N ATOM 1649 NH2 ARG A 112 7.357 -9.440 1.429 1.00 0.00 N ATOM 0 H ARG A 112 0.836 -5.408 -0.115 1.00 0.00 H new ATOM 0 HA ARG A 112 2.260 -7.783 -1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.740 -7.434 1.462 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.070 -9.009 0.768 1.00 0.00 H new ATOM 0 HG2 ARG A 112 3.278 -6.971 1.288 1.00 0.00 H new ATOM 0 HG3 ARG A 112 2.768 -8.124 2.506 1.00 0.00 H new ATOM 0 HD2 ARG A 112 3.393 -10.016 1.098 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.647 -8.977 -0.290 1.00 0.00 H new ATOM 0 HE ARG A 112 5.373 -7.935 1.662 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.891 -11.094 0.121 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.584 -11.568 0.288 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.562 -8.549 1.881 1.00 0.00 H new ATOM 0 HH22 ARG A 112 8.101 -10.123 1.287 1.00 0.00 H new ATOM 1663 N TRP A 113 -0.023 -8.958 -1.654 1.00 0.00 N ATOM 1664 CA TRP A 113 -1.226 -9.416 -2.328 1.00 0.00 C ATOM 1665 C TRP A 113 -1.598 -10.784 -1.753 1.00 0.00 C ATOM 1666 O TRP A 113 -0.747 -11.665 -1.636 1.00 0.00 O ATOM 1667 CB TRP A 113 -1.031 -9.438 -3.845 1.00 0.00 C ATOM 1668 CG TRP A 113 -2.010 -10.351 -4.586 1.00 0.00 C ATOM 1669 CD1 TRP A 113 -2.049 -11.690 -4.587 1.00 0.00 C ATOM 1670 CD2 TRP A 113 -3.097 -9.934 -5.439 1.00 0.00 C ATOM 1671 NE1 TRP A 113 -3.077 -12.165 -5.375 1.00 0.00 N ATOM 1672 CE2 TRP A 113 -3.735 -11.063 -5.910 1.00 0.00 C ATOM 1673 CE3 TRP A 113 -3.526 -8.645 -5.801 1.00 0.00 C ATOM 1674 CZ2 TRP A 113 -4.839 -11.018 -6.769 1.00 0.00 C ATOM 1675 CZ3 TRP A 113 -4.631 -8.617 -6.660 1.00 0.00 C ATOM 1676 CH2 TRP A 113 -5.285 -9.745 -7.143 1.00 0.00 C ATOM 0 H TRP A 113 0.684 -9.679 -1.506 1.00 0.00 H new ATOM 0 HA TRP A 113 -2.052 -8.728 -2.152 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -1.135 -8.423 -4.229 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.013 -9.759 -4.065 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -1.362 -12.319 -4.040 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -3.311 -13.145 -5.536 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -3.042 -7.748 -5.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -5.321 -11.917 -7.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -5.002 -7.651 -6.969 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -6.133 -9.639 -7.803 1.00 0.00 H new ATOM 1687 N SER A 114 -2.871 -10.920 -1.410 1.00 0.00 N ATOM 1688 CA SER A 114 -3.366 -12.166 -0.850 1.00 0.00 C ATOM 1689 C SER A 114 -3.568 -13.196 -1.964 1.00 0.00 C ATOM 1690 O SER A 114 -3.926 -12.841 -3.085 1.00 0.00 O ATOM 1691 CB SER A 114 -4.673 -11.946 -0.087 1.00 0.00 C ATOM 1692 OG SER A 114 -5.407 -13.157 0.075 1.00 0.00 O ATOM 0 H SER A 114 -3.574 -10.188 -1.509 1.00 0.00 H new ATOM 0 HA SER A 114 -2.625 -12.543 -0.145 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.454 -11.521 0.893 1.00 0.00 H new ATOM 0 HB3 SER A 114 -5.286 -11.219 -0.620 1.00 0.00 H new ATOM 0 HG SER A 114 -6.234 -12.975 0.568 1.00 0.00 H new