USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 685 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 SER OG : rot 174:sc= 0.359 USER MOD Set 1.2: A 78 HIS : no HE2:sc= -1.32 K(o=-0.96,f=-5.1!) USER MOD Set 2.1: A 24 THR OG1 : rot -112:sc= 1.1 USER MOD Set 2.2: A 27 ASN : amide:sc= -0.539 K(o=0.56,f=-12!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0415 X(o=-0.041,f=-0.42) USER MOD Single : A 34 GLN : amide:sc= -0.0059 X(o=-0.0059,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.597 USER MOD Single : A 37 GLN : amide:sc= -0.0603 X(o=-0.06,f=-0.55) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 17:sc= -5.24! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.535 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.31 K(o=-1.3,f=-3.7!) USER MOD Single : A 54 HIS :FLIP no HE2:sc= -4.1 F(o=-6.3!,f=-4.1) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl -172:sc= -0.802 (180deg=-1.19) USER MOD Single : A 63 THR OG1 : rot 130:sc= -0.495 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.844 K(o=-0.84,f=-13!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -6.9! C(o=-6.9!,f=-15!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot 60:sc= -3.88 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.0727 X(o=-0.073,f=-0.083) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 HIS :FLIP no HD1:sc= -2.81 F(o=-4.2!,f=-2.8) USER MOD ----------------------------------------------------------------- ATOM 276 N TRP A 23 -1.958 -9.849 1.006 1.00 0.00 N ATOM 277 CA TRP A 23 -2.132 -8.544 0.391 1.00 0.00 C ATOM 278 C TRP A 23 -0.744 -7.971 0.096 1.00 0.00 C ATOM 279 O TRP A 23 -0.138 -7.333 0.955 1.00 0.00 O ATOM 280 CB TRP A 23 -2.981 -7.630 1.277 1.00 0.00 C ATOM 281 CG TRP A 23 -4.474 -7.963 1.265 1.00 0.00 C ATOM 282 CD1 TRP A 23 -5.265 -8.245 2.309 1.00 0.00 C ATOM 283 CD2 TRP A 23 -5.329 -8.037 0.104 1.00 0.00 C ATOM 284 NE1 TRP A 23 -6.562 -8.495 1.908 1.00 0.00 N ATOM 285 CE2 TRP A 23 -6.602 -8.364 0.525 1.00 0.00 C ATOM 286 CE3 TRP A 23 -5.036 -7.834 -1.256 1.00 0.00 C ATOM 287 CZ2 TRP A 23 -7.683 -8.517 -0.351 1.00 0.00 C ATOM 288 CZ3 TRP A 23 -6.128 -7.991 -2.119 1.00 0.00 C ATOM 289 CH2 TRP A 23 -7.415 -8.320 -1.711 1.00 0.00 C ATOM 0 HA TRP A 23 -2.679 -8.629 -0.548 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.614 -7.691 2.301 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.847 -6.599 0.951 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.930 -8.273 3.335 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -7.347 -8.732 2.515 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.048 -7.577 -1.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.671 -8.773 0.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.958 -7.846 -3.176 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -8.205 -8.423 -2.440 1.00 0.00 H new ATOM 300 N THR A 24 -0.282 -8.220 -1.120 1.00 0.00 N ATOM 301 CA THR A 24 1.022 -7.737 -1.539 1.00 0.00 C ATOM 302 C THR A 24 0.915 -6.308 -2.075 1.00 0.00 C ATOM 303 O THR A 24 -0.091 -5.943 -2.683 1.00 0.00 O ATOM 304 CB THR A 24 1.589 -8.728 -2.557 1.00 0.00 C ATOM 305 OG1 THR A 24 0.858 -8.456 -3.750 1.00 0.00 O ATOM 306 CG2 THR A 24 1.233 -10.178 -2.225 1.00 0.00 C ATOM 0 H THR A 24 -0.788 -8.751 -1.829 1.00 0.00 H new ATOM 0 HA THR A 24 1.713 -7.683 -0.698 1.00 0.00 H new ATOM 0 HB THR A 24 2.673 -8.622 -2.601 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.272 -9.214 -3.955 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.660 -10.839 -2.979 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.636 -10.436 -1.246 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.149 -10.293 -2.213 1.00 0.00 H new ATOM 314 N LEU A 25 1.965 -5.538 -1.832 1.00 0.00 N ATOM 315 CA LEU A 25 2.002 -4.158 -2.283 1.00 0.00 C ATOM 316 C LEU A 25 1.215 -4.032 -3.589 1.00 0.00 C ATOM 317 O LEU A 25 0.434 -3.097 -3.760 1.00 0.00 O ATOM 318 CB LEU A 25 3.447 -3.665 -2.386 1.00 0.00 C ATOM 319 CG LEU A 25 4.056 -3.102 -1.101 1.00 0.00 C ATOM 320 CD1 LEU A 25 5.561 -3.373 -1.043 1.00 0.00 C ATOM 321 CD2 LEU A 25 3.736 -1.613 -0.949 1.00 0.00 C ATOM 0 H LEU A 25 2.797 -5.844 -1.328 1.00 0.00 H new ATOM 0 HA LEU A 25 1.519 -3.507 -1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.069 -4.493 -2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.493 -2.894 -3.155 1.00 0.00 H new ATOM 0 HG LEU A 25 3.603 -3.617 -0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.969 -2.962 -0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.738 -4.448 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.049 -2.902 -1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.181 -1.238 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.144 -1.065 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.655 -1.475 -0.913 1.00 0.00 H new ATOM 333 N GLU A 26 1.448 -4.986 -4.478 1.00 0.00 N ATOM 334 CA GLU A 26 0.771 -4.994 -5.763 1.00 0.00 C ATOM 335 C GLU A 26 -0.738 -5.150 -5.567 1.00 0.00 C ATOM 336 O GLU A 26 -1.502 -4.222 -5.830 1.00 0.00 O ATOM 337 CB GLU A 26 1.324 -6.097 -6.668 1.00 0.00 C ATOM 338 CG GLU A 26 2.590 -5.631 -7.390 1.00 0.00 C ATOM 339 CD GLU A 26 2.333 -5.452 -8.887 1.00 0.00 C ATOM 340 OE1 GLU A 26 1.830 -4.366 -9.251 1.00 0.00 O ATOM 341 OE2 GLU A 26 2.644 -6.404 -9.635 1.00 0.00 O ATOM 0 H GLU A 26 2.097 -5.760 -4.333 1.00 0.00 H new ATOM 0 HA GLU A 26 0.957 -4.039 -6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.546 -6.983 -6.073 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.569 -6.385 -7.400 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.932 -4.689 -6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.388 -6.358 -7.239 1.00 0.00 H new ATOM 348 N ASN A 27 -1.124 -6.332 -5.108 1.00 0.00 N ATOM 349 CA ASN A 27 -2.528 -6.622 -4.873 1.00 0.00 C ATOM 350 C ASN A 27 -3.176 -5.437 -4.153 1.00 0.00 C ATOM 351 O ASN A 27 -4.077 -4.797 -4.692 1.00 0.00 O ATOM 352 CB ASN A 27 -2.695 -7.860 -3.990 1.00 0.00 C ATOM 353 CG ASN A 27 -1.985 -9.069 -4.603 1.00 0.00 C ATOM 354 OD1 ASN A 27 -1.148 -9.709 -3.986 1.00 0.00 O ATOM 355 ND2 ASN A 27 -2.365 -9.347 -5.847 1.00 0.00 N ATOM 0 H ASN A 27 -0.488 -7.100 -4.893 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.001 -6.801 -5.839 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.291 -7.661 -2.998 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.755 -8.081 -3.864 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.951 -10.136 -6.342 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.071 -8.771 -6.305 1.00 0.00 H new ATOM 362 N ALA A 28 -2.691 -5.182 -2.947 1.00 0.00 N ATOM 363 CA ALA A 28 -3.211 -4.086 -2.148 1.00 0.00 C ATOM 364 C ALA A 28 -3.622 -2.937 -3.071 1.00 0.00 C ATOM 365 O ALA A 28 -4.809 -2.643 -3.212 1.00 0.00 O ATOM 366 CB ALA A 28 -2.162 -3.660 -1.120 1.00 0.00 C ATOM 0 H ALA A 28 -1.943 -5.716 -2.504 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.098 -4.401 -1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.553 -2.838 -0.521 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.926 -4.503 -0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.258 -3.336 -1.636 1.00 0.00 H new ATOM 372 N LYS A 29 -2.619 -2.319 -3.677 1.00 0.00 N ATOM 373 CA LYS A 29 -2.861 -1.210 -4.583 1.00 0.00 C ATOM 374 C LYS A 29 -3.993 -1.579 -5.544 1.00 0.00 C ATOM 375 O LYS A 29 -5.073 -0.991 -5.493 1.00 0.00 O ATOM 376 CB LYS A 29 -1.566 -0.800 -5.287 1.00 0.00 C ATOM 377 CG LYS A 29 -1.406 0.721 -5.299 1.00 0.00 C ATOM 378 CD LYS A 29 -1.205 1.240 -6.724 1.00 0.00 C ATOM 379 CE LYS A 29 -0.487 2.592 -6.719 1.00 0.00 C ATOM 380 NZ LYS A 29 0.746 2.527 -7.535 1.00 0.00 N ATOM 0 H LYS A 29 -1.636 -2.566 -3.558 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.187 -0.330 -4.028 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.714 -1.255 -4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.569 -1.177 -6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.288 1.186 -4.860 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.554 1.006 -4.681 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.625 0.518 -7.299 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.171 1.339 -7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.149 3.364 -7.111 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.239 2.875 -5.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.221 3.452 -7.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.384 1.805 -7.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.501 2.278 -8.515 1.00 0.00 H new ATOM 394 N ALA A 30 -3.708 -2.551 -6.398 1.00 0.00 N ATOM 395 CA ALA A 30 -4.689 -3.006 -7.369 1.00 0.00 C ATOM 396 C ALA A 30 -6.080 -2.979 -6.733 1.00 0.00 C ATOM 397 O ALA A 30 -6.956 -2.238 -7.177 1.00 0.00 O ATOM 398 CB ALA A 30 -4.304 -4.400 -7.869 1.00 0.00 C ATOM 0 H ALA A 30 -2.812 -3.036 -6.438 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.709 -2.343 -8.234 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.040 -4.741 -8.597 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.321 -4.360 -8.338 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.277 -5.093 -7.028 1.00 0.00 H new ATOM 404 N ARG A 31 -6.241 -3.797 -5.703 1.00 0.00 N ATOM 405 CA ARG A 31 -7.511 -3.876 -5.001 1.00 0.00 C ATOM 406 C ARG A 31 -8.036 -2.472 -4.693 1.00 0.00 C ATOM 407 O ARG A 31 -9.166 -2.137 -5.043 1.00 0.00 O ATOM 408 CB ARG A 31 -7.371 -4.659 -3.694 1.00 0.00 C ATOM 409 CG ARG A 31 -8.530 -5.642 -3.517 1.00 0.00 C ATOM 410 CD ARG A 31 -9.699 -4.984 -2.783 1.00 0.00 C ATOM 411 NE ARG A 31 -10.553 -6.020 -2.158 1.00 0.00 N ATOM 412 CZ ARG A 31 -11.831 -5.828 -1.807 1.00 0.00 C ATOM 413 NH1 ARG A 31 -12.413 -4.639 -2.016 1.00 0.00 N ATOM 414 NH2 ARG A 31 -12.529 -6.825 -1.246 1.00 0.00 N ATOM 0 H ARG A 31 -5.513 -4.411 -5.338 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.216 -4.397 -5.649 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.426 -5.201 -3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.345 -3.967 -2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.862 -5.998 -4.492 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.190 -6.514 -2.959 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.323 -4.303 -2.020 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.288 -4.388 -3.480 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.142 -6.937 -1.984 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.882 -3.879 -2.443 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.386 -4.494 -1.748 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.087 -7.730 -1.086 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.502 -6.679 -0.979 1.00 0.00 H new ATOM 428 N LEU A 32 -7.189 -1.689 -4.040 1.00 0.00 N ATOM 429 CA LEU A 32 -7.553 -0.329 -3.680 1.00 0.00 C ATOM 430 C LEU A 32 -8.274 0.329 -4.858 1.00 0.00 C ATOM 431 O LEU A 32 -9.351 0.900 -4.690 1.00 0.00 O ATOM 432 CB LEU A 32 -6.324 0.445 -3.200 1.00 0.00 C ATOM 433 CG LEU A 32 -6.589 1.845 -2.643 1.00 0.00 C ATOM 434 CD1 LEU A 32 -7.421 1.776 -1.361 1.00 0.00 C ATOM 435 CD2 LEU A 32 -5.280 2.610 -2.436 1.00 0.00 C ATOM 0 H LEU A 32 -6.252 -1.971 -3.751 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.248 -0.329 -2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.827 -0.143 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.626 0.533 -4.033 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.173 2.400 -3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.595 2.784 -0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.377 1.298 -1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.884 1.197 -0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.497 3.602 -2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.649 2.068 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.760 2.706 -3.389 1.00 0.00 H new ATOM 447 N ASN A 33 -7.652 0.229 -6.023 1.00 0.00 N ATOM 448 CA ASN A 33 -8.220 0.808 -7.228 1.00 0.00 C ATOM 449 C ASN A 33 -9.570 0.149 -7.517 1.00 0.00 C ATOM 450 O ASN A 33 -10.517 0.818 -7.927 1.00 0.00 O ATOM 451 CB ASN A 33 -7.311 0.572 -8.435 1.00 0.00 C ATOM 452 CG ASN A 33 -8.025 0.933 -9.739 1.00 0.00 C ATOM 453 OD1 ASN A 33 -8.710 0.126 -10.346 1.00 0.00 O ATOM 454 ND2 ASN A 33 -7.828 2.187 -10.134 1.00 0.00 N ATOM 0 H ASN A 33 -6.759 -0.245 -6.158 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.332 1.880 -7.066 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.405 1.170 -8.335 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.002 -0.473 -8.463 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.262 2.525 -10.993 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.243 2.811 -9.578 1.00 0.00 H new ATOM 461 N GLN A 34 -9.616 -1.156 -7.292 1.00 0.00 N ATOM 462 CA GLN A 34 -10.834 -1.914 -7.523 1.00 0.00 C ATOM 463 C GLN A 34 -11.935 -1.454 -6.566 1.00 0.00 C ATOM 464 O GLN A 34 -13.105 -1.393 -6.942 1.00 0.00 O ATOM 465 CB GLN A 34 -10.580 -3.416 -7.386 1.00 0.00 C ATOM 466 CG GLN A 34 -10.329 -4.057 -8.752 1.00 0.00 C ATOM 467 CD GLN A 34 -11.595 -4.732 -9.283 1.00 0.00 C ATOM 468 OE1 GLN A 34 -12.609 -4.101 -9.529 1.00 0.00 O ATOM 469 NE2 GLN A 34 -11.480 -6.048 -9.443 1.00 0.00 N ATOM 0 H GLN A 34 -8.829 -1.708 -6.952 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.166 -1.727 -8.544 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.720 -3.585 -6.738 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.437 -3.891 -6.909 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.995 -3.297 -9.458 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.528 -4.792 -8.671 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.601 -6.514 -9.218 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.271 -6.590 -9.791 1.00 0.00 H new ATOM 478 N TYR A 35 -11.522 -1.141 -5.346 1.00 0.00 N ATOM 479 CA TYR A 35 -12.458 -0.688 -4.332 1.00 0.00 C ATOM 480 C TYR A 35 -13.036 0.682 -4.691 1.00 0.00 C ATOM 481 O TYR A 35 -14.201 0.961 -4.411 1.00 0.00 O ATOM 482 CB TYR A 35 -11.651 -0.564 -3.038 1.00 0.00 C ATOM 483 CG TYR A 35 -12.409 0.113 -1.894 1.00 0.00 C ATOM 484 CD1 TYR A 35 -13.368 -0.588 -1.192 1.00 0.00 C ATOM 485 CD2 TYR A 35 -12.133 1.425 -1.565 1.00 0.00 C ATOM 486 CE1 TYR A 35 -14.082 0.050 -0.116 1.00 0.00 C ATOM 487 CE2 TYR A 35 -12.846 2.062 -0.488 1.00 0.00 C ATOM 488 CZ TYR A 35 -13.785 1.343 0.183 1.00 0.00 C ATOM 489 OH TYR A 35 -14.459 1.945 1.200 1.00 0.00 O ATOM 0 H TYR A 35 -10.551 -1.192 -5.037 1.00 0.00 H new ATOM 0 HA TYR A 35 -13.291 -1.385 -4.241 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -11.343 -1.559 -2.717 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -10.741 0.001 -3.242 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -13.583 -1.615 -1.449 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -11.383 1.974 -2.115 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -14.836 -0.486 0.441 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -12.640 3.087 -0.219 1.00 0.00 H new ATOM 0 HH TYR A 35 -14.142 2.867 1.302 1.00 0.00 H new ATOM 499 N PHE A 36 -12.196 1.500 -5.308 1.00 0.00 N ATOM 500 CA PHE A 36 -12.609 2.834 -5.709 1.00 0.00 C ATOM 501 C PHE A 36 -13.371 2.797 -7.035 1.00 0.00 C ATOM 502 O PHE A 36 -14.104 3.729 -7.360 1.00 0.00 O ATOM 503 CB PHE A 36 -11.334 3.661 -5.890 1.00 0.00 C ATOM 504 CG PHE A 36 -10.598 3.964 -4.584 1.00 0.00 C ATOM 505 CD1 PHE A 36 -11.302 4.169 -3.438 1.00 0.00 C ATOM 506 CD2 PHE A 36 -9.239 4.028 -4.568 1.00 0.00 C ATOM 507 CE1 PHE A 36 -10.618 4.450 -2.226 1.00 0.00 C ATOM 508 CE2 PHE A 36 -8.556 4.309 -3.356 1.00 0.00 C ATOM 509 CZ PHE A 36 -9.260 4.514 -2.210 1.00 0.00 C ATOM 0 H PHE A 36 -11.231 1.265 -5.540 1.00 0.00 H new ATOM 0 HA PHE A 36 -13.268 3.262 -4.954 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.659 3.128 -6.560 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.590 4.602 -6.378 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.381 4.118 -3.450 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.680 3.865 -5.478 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -11.177 4.613 -1.316 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.477 4.360 -3.343 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.740 4.728 -1.288 1.00 0.00 H new ATOM 519 N GLN A 37 -13.173 1.709 -7.764 1.00 0.00 N ATOM 520 CA GLN A 37 -13.832 1.537 -9.047 1.00 0.00 C ATOM 521 C GLN A 37 -15.197 0.871 -8.858 1.00 0.00 C ATOM 522 O GLN A 37 -16.173 1.254 -9.502 1.00 0.00 O ATOM 523 CB GLN A 37 -12.958 0.731 -10.010 1.00 0.00 C ATOM 524 CG GLN A 37 -12.092 1.655 -10.869 1.00 0.00 C ATOM 525 CD GLN A 37 -12.310 1.383 -12.359 1.00 0.00 C ATOM 526 OE1 GLN A 37 -12.514 0.259 -12.787 1.00 0.00 O ATOM 527 NE2 GLN A 37 -12.254 2.471 -13.122 1.00 0.00 N ATOM 0 H GLN A 37 -12.565 0.937 -7.490 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.987 2.522 -9.488 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.321 0.051 -9.445 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.589 0.117 -10.653 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.332 2.695 -10.647 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -11.041 1.510 -10.619 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -12.079 3.382 -12.699 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.386 2.394 -14.131 1.00 0.00 H new ATOM 536 N LYS A 38 -15.221 -0.113 -7.971 1.00 0.00 N ATOM 537 CA LYS A 38 -16.450 -0.835 -7.689 1.00 0.00 C ATOM 538 C LYS A 38 -17.445 0.106 -7.006 1.00 0.00 C ATOM 539 O LYS A 38 -18.578 0.253 -7.461 1.00 0.00 O ATOM 540 CB LYS A 38 -16.154 -2.104 -6.887 1.00 0.00 C ATOM 541 CG LYS A 38 -15.905 -3.294 -7.816 1.00 0.00 C ATOM 542 CD LYS A 38 -17.224 -3.872 -8.333 1.00 0.00 C ATOM 543 CE LYS A 38 -16.979 -4.857 -9.478 1.00 0.00 C ATOM 544 NZ LYS A 38 -18.224 -5.073 -10.250 1.00 0.00 N ATOM 0 H LYS A 38 -14.410 -0.427 -7.439 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.914 -1.172 -8.616 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.281 -1.943 -6.254 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.992 -2.324 -6.225 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.287 -2.980 -8.657 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.350 -4.066 -7.283 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.748 -4.376 -7.521 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.870 -3.064 -8.676 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.198 -4.474 -10.135 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.622 -5.806 -9.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.041 -5.744 -11.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.959 -5.459 -9.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.548 -4.168 -10.646 1.00 0.00 H new ATOM 558 N GLU A 39 -16.984 0.718 -5.925 1.00 0.00 N ATOM 559 CA GLU A 39 -17.819 1.641 -5.175 1.00 0.00 C ATOM 560 C GLU A 39 -17.988 2.951 -5.947 1.00 0.00 C ATOM 561 O GLU A 39 -18.893 3.733 -5.659 1.00 0.00 O ATOM 562 CB GLU A 39 -17.240 1.896 -3.782 1.00 0.00 C ATOM 563 CG GLU A 39 -17.679 0.810 -2.798 1.00 0.00 C ATOM 564 CD GLU A 39 -19.130 1.020 -2.362 1.00 0.00 C ATOM 565 OE1 GLU A 39 -19.324 1.762 -1.375 1.00 0.00 O ATOM 566 OE2 GLU A 39 -20.012 0.433 -3.024 1.00 0.00 O ATOM 0 H GLU A 39 -16.043 0.593 -5.551 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.802 1.189 -5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.152 1.924 -3.836 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.566 2.872 -3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.573 -0.171 -3.262 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -17.028 0.821 -1.924 1.00 0.00 H new ATOM 573 N LYS A 40 -17.103 3.151 -6.913 1.00 0.00 N ATOM 574 CA LYS A 40 -17.143 4.353 -7.728 1.00 0.00 C ATOM 575 C LYS A 40 -16.566 5.524 -6.931 1.00 0.00 C ATOM 576 O LYS A 40 -16.809 6.684 -7.261 1.00 0.00 O ATOM 577 CB LYS A 40 -18.561 4.601 -8.247 1.00 0.00 C ATOM 578 CG LYS A 40 -19.188 3.308 -8.770 1.00 0.00 C ATOM 579 CD LYS A 40 -18.848 3.092 -10.246 1.00 0.00 C ATOM 580 CE LYS A 40 -20.084 3.287 -11.128 1.00 0.00 C ATOM 581 NZ LYS A 40 -20.422 2.030 -11.832 1.00 0.00 N ATOM 0 H LYS A 40 -16.354 2.500 -7.149 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.520 4.233 -8.615 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.178 5.011 -7.447 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.536 5.345 -9.043 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.830 2.462 -8.183 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -20.270 3.347 -8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -18.067 3.790 -10.549 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -18.450 2.087 -10.388 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.928 3.606 -10.516 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.899 4.079 -11.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -21.263 2.180 -12.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -19.622 1.742 -12.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -20.619 1.284 -11.135 1.00 0.00 H new ATOM 595 N ILE A 41 -15.812 5.180 -5.897 1.00 0.00 N ATOM 596 CA ILE A 41 -15.198 6.189 -5.050 1.00 0.00 C ATOM 597 C ILE A 41 -13.988 6.786 -5.771 1.00 0.00 C ATOM 598 O ILE A 41 -13.514 6.230 -6.761 1.00 0.00 O ATOM 599 CB ILE A 41 -14.868 5.605 -3.675 1.00 0.00 C ATOM 600 CG1 ILE A 41 -16.140 5.172 -2.943 1.00 0.00 C ATOM 601 CG2 ILE A 41 -14.037 6.587 -2.848 1.00 0.00 C ATOM 602 CD1 ILE A 41 -15.817 4.190 -1.816 1.00 0.00 C ATOM 0 H ILE A 41 -15.612 4.217 -5.627 1.00 0.00 H new ATOM 0 HA ILE A 41 -15.895 7.007 -4.865 1.00 0.00 H new ATOM 0 HB ILE A 41 -14.261 4.712 -3.820 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -16.644 6.047 -2.534 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -16.829 4.708 -3.648 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -13.816 6.148 -1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.104 6.803 -3.369 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.598 7.511 -2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -16.739 3.898 -1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.335 3.305 -2.231 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -15.147 4.666 -1.100 1.00 0.00 H new ATOM 614 N GLN A 42 -13.523 7.910 -5.247 1.00 0.00 N ATOM 615 CA GLN A 42 -12.377 8.589 -5.829 1.00 0.00 C ATOM 616 C GLN A 42 -11.335 8.890 -4.750 1.00 0.00 C ATOM 617 O GLN A 42 -11.654 9.486 -3.722 1.00 0.00 O ATOM 618 CB GLN A 42 -12.806 9.869 -6.550 1.00 0.00 C ATOM 619 CG GLN A 42 -13.568 10.801 -5.606 1.00 0.00 C ATOM 620 CD GLN A 42 -14.857 11.305 -6.258 1.00 0.00 C ATOM 621 OE1 GLN A 42 -15.959 10.943 -5.878 1.00 0.00 O ATOM 622 NE2 GLN A 42 -14.659 12.159 -7.258 1.00 0.00 N ATOM 0 H GLN A 42 -13.919 8.368 -4.426 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.925 7.929 -6.569 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.928 10.382 -6.942 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.435 9.616 -7.404 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.805 10.274 -4.682 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.937 11.648 -5.337 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.710 12.420 -7.525 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -15.456 12.553 -7.758 1.00 0.00 H new ATOM 631 N GLY A 43 -10.109 8.466 -5.021 1.00 0.00 N ATOM 632 CA GLY A 43 -9.018 8.682 -4.086 1.00 0.00 C ATOM 633 C GLY A 43 -7.700 8.917 -4.827 1.00 0.00 C ATOM 634 O GLY A 43 -7.362 8.177 -5.749 1.00 0.00 O ATOM 0 H GLY A 43 -9.847 7.974 -5.875 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.242 9.541 -3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.921 7.818 -3.429 1.00 0.00 H new ATOM 638 N GLU A 44 -6.992 9.951 -4.396 1.00 0.00 N ATOM 639 CA GLU A 44 -5.719 10.293 -5.006 1.00 0.00 C ATOM 640 C GLU A 44 -4.596 10.217 -3.970 1.00 0.00 C ATOM 641 O GLU A 44 -4.855 10.224 -2.767 1.00 0.00 O ATOM 642 CB GLU A 44 -5.775 11.678 -5.654 1.00 0.00 C ATOM 643 CG GLU A 44 -6.134 11.575 -7.137 1.00 0.00 C ATOM 644 CD GLU A 44 -5.275 12.524 -7.976 1.00 0.00 C ATOM 645 OE1 GLU A 44 -5.178 13.704 -7.577 1.00 0.00 O ATOM 646 OE2 GLU A 44 -4.735 12.046 -8.997 1.00 0.00 O ATOM 0 H GLU A 44 -7.276 10.563 -3.631 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.510 9.569 -5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.512 12.295 -5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.811 12.175 -5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.991 10.550 -7.479 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.188 11.813 -7.277 1.00 0.00 H new ATOM 653 N TYR A 45 -3.373 10.147 -4.474 1.00 0.00 N ATOM 654 CA TYR A 45 -2.209 10.071 -3.607 1.00 0.00 C ATOM 655 C TYR A 45 -1.472 11.411 -3.558 1.00 0.00 C ATOM 656 O TYR A 45 -1.133 11.974 -4.598 1.00 0.00 O ATOM 657 CB TYR A 45 -1.289 9.018 -4.228 1.00 0.00 C ATOM 658 CG TYR A 45 -1.822 7.588 -4.127 1.00 0.00 C ATOM 659 CD1 TYR A 45 -2.704 7.111 -5.076 1.00 0.00 C ATOM 660 CD2 TYR A 45 -1.421 6.773 -3.087 1.00 0.00 C ATOM 661 CE1 TYR A 45 -3.206 5.765 -4.981 1.00 0.00 C ATOM 662 CE2 TYR A 45 -1.923 5.427 -2.992 1.00 0.00 C ATOM 663 CZ TYR A 45 -2.791 4.989 -3.944 1.00 0.00 C ATOM 664 OH TYR A 45 -3.265 3.718 -3.854 1.00 0.00 O ATOM 0 H TYR A 45 -3.162 10.141 -5.472 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.505 9.819 -2.589 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.131 9.263 -5.278 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.316 9.067 -3.740 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.018 7.748 -5.890 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.731 7.145 -2.345 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.897 5.380 -5.717 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.618 4.780 -2.183 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.647 3.449 -4.716 1.00 0.00 H new ATOM 674 N LYS A 46 -1.246 11.881 -2.341 1.00 0.00 N ATOM 675 CA LYS A 46 -0.556 13.145 -2.143 1.00 0.00 C ATOM 676 C LYS A 46 0.943 12.882 -1.987 1.00 0.00 C ATOM 677 O LYS A 46 1.395 12.458 -0.924 1.00 0.00 O ATOM 678 CB LYS A 46 -1.171 13.914 -0.973 1.00 0.00 C ATOM 679 CG LYS A 46 -0.689 15.366 -0.957 1.00 0.00 C ATOM 680 CD LYS A 46 -1.309 16.162 -2.108 1.00 0.00 C ATOM 681 CE LYS A 46 -0.234 16.913 -2.897 1.00 0.00 C ATOM 682 NZ LYS A 46 -0.771 17.371 -4.197 1.00 0.00 N ATOM 0 H LYS A 46 -1.528 11.410 -1.481 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.679 13.788 -3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.258 13.889 -1.048 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.905 13.428 -0.034 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.952 15.830 -0.006 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.398 15.393 -1.035 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.848 15.487 -2.773 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.038 16.871 -1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.118 17.768 -2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.626 16.263 -3.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.029 17.879 -4.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.085 16.549 -4.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.577 18.008 -4.035 1.00 0.00 H new ATOM 696 N TYR A 47 1.673 13.145 -3.061 1.00 0.00 N ATOM 697 CA TYR A 47 3.112 12.943 -3.056 1.00 0.00 C ATOM 698 C TYR A 47 3.843 14.213 -2.618 1.00 0.00 C ATOM 699 O TYR A 47 3.732 15.252 -3.267 1.00 0.00 O ATOM 700 CB TYR A 47 3.497 12.619 -4.501 1.00 0.00 C ATOM 701 CG TYR A 47 2.828 11.361 -5.056 1.00 0.00 C ATOM 702 CD1 TYR A 47 3.310 10.114 -4.713 1.00 0.00 C ATOM 703 CD2 TYR A 47 1.742 11.473 -5.901 1.00 0.00 C ATOM 704 CE1 TYR A 47 2.679 8.929 -5.236 1.00 0.00 C ATOM 705 CE2 TYR A 47 1.111 10.288 -6.424 1.00 0.00 C ATOM 706 CZ TYR A 47 1.611 9.075 -6.066 1.00 0.00 C ATOM 707 OH TYR A 47 1.016 7.956 -6.560 1.00 0.00 O ATOM 0 H TYR A 47 1.295 13.496 -3.941 1.00 0.00 H new ATOM 0 HA TYR A 47 3.386 12.148 -2.362 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.236 13.467 -5.135 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.579 12.499 -4.560 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.160 10.026 -4.053 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.365 12.449 -6.170 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.046 7.947 -4.975 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.260 10.361 -7.085 1.00 0.00 H new ATOM 0 HH TYR A 47 0.266 8.212 -7.137 1.00 0.00 H new ATOM 717 N THR A 48 4.574 14.089 -1.520 1.00 0.00 N ATOM 718 CA THR A 48 5.323 15.214 -0.988 1.00 0.00 C ATOM 719 C THR A 48 6.823 15.009 -1.208 1.00 0.00 C ATOM 720 O THR A 48 7.420 14.100 -0.633 1.00 0.00 O ATOM 721 CB THR A 48 4.943 15.382 0.485 1.00 0.00 C ATOM 722 OG1 THR A 48 3.645 15.968 0.443 1.00 0.00 O ATOM 723 CG2 THR A 48 5.802 16.428 1.196 1.00 0.00 C ATOM 0 H THR A 48 4.663 13.226 -0.984 1.00 0.00 H new ATOM 0 HA THR A 48 5.073 16.137 -1.511 1.00 0.00 H new ATOM 0 HB THR A 48 5.041 14.425 0.997 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.321 16.110 1.357 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.491 16.507 2.238 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.849 16.130 1.152 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.679 17.394 0.706 1.00 0.00 H new ATOM 731 N GLN A 49 7.390 15.868 -2.042 1.00 0.00 N ATOM 732 CA GLN A 49 8.808 15.792 -2.346 1.00 0.00 C ATOM 733 C GLN A 49 9.629 16.389 -1.200 1.00 0.00 C ATOM 734 O GLN A 49 9.338 17.487 -0.730 1.00 0.00 O ATOM 735 CB GLN A 49 9.124 16.493 -3.669 1.00 0.00 C ATOM 736 CG GLN A 49 10.633 16.533 -3.922 1.00 0.00 C ATOM 737 CD GLN A 49 11.247 17.821 -3.371 1.00 0.00 C ATOM 738 OE1 GLN A 49 10.559 18.740 -2.956 1.00 0.00 O ATOM 739 NE2 GLN A 49 12.577 17.838 -3.390 1.00 0.00 N ATOM 0 H GLN A 49 6.892 16.621 -2.517 1.00 0.00 H new ATOM 0 HA GLN A 49 9.080 14.742 -2.455 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.628 15.972 -4.488 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.728 17.508 -3.650 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.107 15.670 -3.453 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.828 16.462 -4.992 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.092 17.035 -3.751 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.082 18.654 -3.044 1.00 0.00 H new ATOM 748 N VAL A 50 10.639 15.638 -0.785 1.00 0.00 N ATOM 749 CA VAL A 50 11.503 16.079 0.297 1.00 0.00 C ATOM 750 C VAL A 50 12.962 15.810 -0.080 1.00 0.00 C ATOM 751 O VAL A 50 13.237 15.199 -1.112 1.00 0.00 O ATOM 752 CB VAL A 50 11.090 15.404 1.606 1.00 0.00 C ATOM 753 CG1 VAL A 50 9.711 15.886 2.060 1.00 0.00 C ATOM 754 CG2 VAL A 50 11.120 13.880 1.470 1.00 0.00 C ATOM 0 H VAL A 50 10.878 14.728 -1.178 1.00 0.00 H new ATOM 0 HA VAL A 50 11.400 17.153 0.455 1.00 0.00 H new ATOM 0 HB VAL A 50 11.813 15.687 2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.441 15.391 2.993 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.736 16.965 2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.972 15.647 1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.822 13.424 2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.430 13.571 0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 50 12.129 13.557 1.214 1.00 0.00 H new ATOM 764 N GLY A 51 13.857 16.279 0.776 1.00 0.00 N ATOM 765 CA GLY A 51 15.280 16.097 0.546 1.00 0.00 C ATOM 766 C GLY A 51 15.761 16.956 -0.625 1.00 0.00 C ATOM 767 O GLY A 51 14.959 17.611 -1.289 1.00 0.00 O ATOM 0 H GLY A 51 13.624 16.785 1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.834 16.361 1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.487 15.047 0.340 1.00 0.00 H new ATOM 771 N PRO A 52 17.102 16.925 -0.849 1.00 0.00 N ATOM 772 CA PRO A 52 17.699 17.692 -1.928 1.00 0.00 C ATOM 773 C PRO A 52 17.422 17.039 -3.284 1.00 0.00 C ATOM 774 O PRO A 52 17.139 15.844 -3.355 1.00 0.00 O ATOM 775 CB PRO A 52 19.179 17.759 -1.592 1.00 0.00 C ATOM 776 CG PRO A 52 19.430 16.641 -0.593 1.00 0.00 C ATOM 777 CD PRO A 52 18.082 16.160 -0.083 1.00 0.00 C ATOM 0 HA PRO A 52 17.279 18.694 -2.014 1.00 0.00 H new ATOM 0 HB2 PRO A 52 19.789 17.628 -2.486 1.00 0.00 H new ATOM 0 HB3 PRO A 52 19.440 18.728 -1.167 1.00 0.00 H new ATOM 0 HG2 PRO A 52 19.974 15.823 -1.065 1.00 0.00 H new ATOM 0 HG3 PRO A 52 20.045 16.998 0.233 1.00 0.00 H new ATOM 0 HD2 PRO A 52 17.958 15.088 -0.240 1.00 0.00 H new ATOM 0 HD3 PRO A 52 17.976 16.340 0.987 1.00 0.00 H new ATOM 785 N ASP A 53 17.513 17.852 -4.326 1.00 0.00 N ATOM 786 CA ASP A 53 17.277 17.368 -5.676 1.00 0.00 C ATOM 787 C ASP A 53 18.187 16.169 -5.950 1.00 0.00 C ATOM 788 O ASP A 53 17.710 15.088 -6.290 1.00 0.00 O ATOM 789 CB ASP A 53 17.593 18.448 -6.712 1.00 0.00 C ATOM 790 CG ASP A 53 17.322 18.051 -8.164 1.00 0.00 C ATOM 791 OD1 ASP A 53 18.159 17.301 -8.713 1.00 0.00 O ATOM 792 OD2 ASP A 53 16.285 18.504 -8.693 1.00 0.00 O ATOM 0 H ASP A 53 17.747 18.843 -4.263 1.00 0.00 H new ATOM 0 HA ASP A 53 16.226 17.090 -5.755 1.00 0.00 H new ATOM 0 HB2 ASP A 53 17.006 19.337 -6.479 1.00 0.00 H new ATOM 0 HB3 ASP A 53 18.643 18.725 -6.617 1.00 0.00 H new ATOM 797 N HIS A 54 19.482 16.402 -5.792 1.00 0.00 N ATOM 798 CA HIS A 54 20.463 15.354 -6.018 1.00 0.00 C ATOM 799 C HIS A 54 19.950 14.035 -5.437 1.00 0.00 C ATOM 800 O HIS A 54 20.138 12.976 -6.032 1.00 0.00 O ATOM 801 CB HIS A 54 21.828 15.758 -5.457 1.00 0.00 C ATOM 802 CG HIS A 54 22.031 15.384 -4.008 1.00 0.00 C ATOM 803 ND1 HIS A 54 22.316 14.183 -3.429 1.00 0.00 N flip ATOM 804 CD2 HIS A 54 21.945 16.304 -2.977 1.00 0.00 C flip ATOM 805 CE1 HIS A 54 22.401 14.359 -2.116 1.00 0.00 C flip ATOM 806 NE2 HIS A 54 22.170 15.673 -1.834 1.00 0.00 N flip ATOM 0 H HIS A 54 19.874 17.300 -5.510 1.00 0.00 H new ATOM 0 HA HIS A 54 20.603 15.208 -7.089 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.609 15.289 -6.056 1.00 0.00 H new ATOM 0 HB3 HIS A 54 21.949 16.836 -5.564 1.00 0.00 H new ATOM 0 HD1 HIS A 54 22.443 13.299 -3.921 1.00 0.00 H new ATOM 0 HD2 HIS A 54 21.731 17.357 -3.086 1.00 0.00 H new ATOM 0 HE1 HIS A 54 22.617 13.589 -1.391 1.00 0.00 H new ATOM 814 N ASN A 55 19.311 14.144 -4.282 1.00 0.00 N ATOM 815 CA ASN A 55 18.769 12.973 -3.613 1.00 0.00 C ATOM 816 C ASN A 55 17.477 13.357 -2.889 1.00 0.00 C ATOM 817 O ASN A 55 17.498 13.676 -1.701 1.00 0.00 O ATOM 818 CB ASN A 55 19.750 12.429 -2.574 1.00 0.00 C ATOM 819 CG ASN A 55 19.437 10.970 -2.235 1.00 0.00 C ATOM 820 OD1 ASN A 55 18.694 10.665 -1.316 1.00 0.00 O ATOM 821 ND2 ASN A 55 20.042 10.089 -3.026 1.00 0.00 N ATOM 0 H ASN A 55 19.156 15.025 -3.792 1.00 0.00 H new ATOM 0 HA ASN A 55 18.584 12.209 -4.368 1.00 0.00 H new ATOM 0 HB2 ASN A 55 20.768 12.507 -2.954 1.00 0.00 H new ATOM 0 HB3 ASN A 55 19.700 13.035 -1.669 1.00 0.00 H new ATOM 0 HD21 ASN A 55 19.897 9.090 -2.882 1.00 0.00 H new ATOM 0 HD22 ASN A 55 20.652 10.412 -3.777 1.00 0.00 H new ATOM 828 N ARG A 56 16.383 13.314 -3.635 1.00 0.00 N ATOM 829 CA ARG A 56 15.084 13.653 -3.079 1.00 0.00 C ATOM 830 C ARG A 56 14.149 12.444 -3.137 1.00 0.00 C ATOM 831 O ARG A 56 14.410 11.487 -3.865 1.00 0.00 O ATOM 832 CB ARG A 56 14.447 14.819 -3.838 1.00 0.00 C ATOM 833 CG ARG A 56 14.487 14.576 -5.348 1.00 0.00 C ATOM 834 CD ARG A 56 13.211 15.091 -6.020 1.00 0.00 C ATOM 835 NE ARG A 56 13.558 15.929 -7.189 1.00 0.00 N ATOM 836 CZ ARG A 56 13.868 15.440 -8.398 1.00 0.00 C ATOM 837 NH1 ARG A 56 13.877 14.116 -8.603 1.00 0.00 N ATOM 838 NH2 ARG A 56 14.169 16.276 -9.401 1.00 0.00 N ATOM 0 H ARG A 56 16.369 13.049 -4.620 1.00 0.00 H new ATOM 0 HA ARG A 56 15.235 13.949 -2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.414 14.948 -3.514 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.973 15.743 -3.601 1.00 0.00 H new ATOM 0 HG2 ARG A 56 15.356 15.075 -5.778 1.00 0.00 H new ATOM 0 HG3 ARG A 56 14.602 13.510 -5.546 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.592 14.251 -6.335 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.624 15.671 -5.308 1.00 0.00 H new ATOM 0 HE ARG A 56 13.562 16.942 -7.067 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.648 13.480 -7.839 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.113 13.744 -9.523 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.162 17.284 -9.244 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.405 15.904 -10.321 1.00 0.00 H new ATOM 852 N SER A 57 13.078 12.526 -2.361 1.00 0.00 N ATOM 853 CA SER A 57 12.103 11.450 -2.316 1.00 0.00 C ATOM 854 C SER A 57 10.695 12.010 -2.527 1.00 0.00 C ATOM 855 O SER A 57 10.532 13.189 -2.838 1.00 0.00 O ATOM 856 CB SER A 57 12.179 10.693 -0.988 1.00 0.00 C ATOM 857 OG SER A 57 13.440 10.055 -0.809 1.00 0.00 O ATOM 0 H SER A 57 12.864 13.321 -1.759 1.00 0.00 H new ATOM 0 HA SER A 57 12.332 10.748 -3.118 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.003 11.386 -0.165 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.386 9.946 -0.951 1.00 0.00 H new ATOM 0 HG SER A 57 13.487 9.670 0.091 1.00 0.00 H new ATOM 863 N PHE A 58 9.713 11.138 -2.351 1.00 0.00 N ATOM 864 CA PHE A 58 8.324 11.531 -2.519 1.00 0.00 C ATOM 865 C PHE A 58 7.430 10.839 -1.488 1.00 0.00 C ATOM 866 O PHE A 58 7.171 9.641 -1.591 1.00 0.00 O ATOM 867 CB PHE A 58 7.901 11.091 -3.921 1.00 0.00 C ATOM 868 CG PHE A 58 8.303 12.068 -5.028 1.00 0.00 C ATOM 869 CD1 PHE A 58 7.580 13.202 -5.230 1.00 0.00 C ATOM 870 CD2 PHE A 58 9.384 11.803 -5.809 1.00 0.00 C ATOM 871 CE1 PHE A 58 7.953 14.109 -6.257 1.00 0.00 C ATOM 872 CE2 PHE A 58 9.757 12.710 -6.836 1.00 0.00 C ATOM 873 CZ PHE A 58 9.034 13.844 -7.038 1.00 0.00 C ATOM 0 H PHE A 58 9.852 10.161 -2.094 1.00 0.00 H new ATOM 0 HA PHE A 58 8.223 12.608 -2.383 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.341 10.117 -4.133 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.819 10.963 -3.939 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.722 13.413 -4.609 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.959 10.903 -5.648 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.378 15.009 -6.418 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.615 12.499 -7.457 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.318 14.534 -7.819 1.00 0.00 H new ATOM 883 N ILE A 59 6.983 11.623 -0.518 1.00 0.00 N ATOM 884 CA ILE A 59 6.123 11.100 0.530 1.00 0.00 C ATOM 885 C ILE A 59 4.698 10.957 -0.008 1.00 0.00 C ATOM 886 O ILE A 59 3.983 11.947 -0.151 1.00 0.00 O ATOM 887 CB ILE A 59 6.222 11.968 1.787 1.00 0.00 C ATOM 888 CG1 ILE A 59 7.488 11.641 2.581 1.00 0.00 C ATOM 889 CG2 ILE A 59 4.960 11.839 2.642 1.00 0.00 C ATOM 890 CD1 ILE A 59 8.107 12.909 3.172 1.00 0.00 C ATOM 0 H ILE A 59 7.200 12.616 -0.436 1.00 0.00 H new ATOM 0 HA ILE A 59 6.451 10.105 0.831 1.00 0.00 H new ATOM 0 HB ILE A 59 6.297 13.010 1.478 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.249 10.941 3.382 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.211 11.147 1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.056 12.465 3.529 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.094 12.160 2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.830 10.800 2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.005 12.649 3.731 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.367 13.596 2.367 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.390 13.387 3.839 1.00 0.00 H new ATOM 902 N ALA A 60 4.329 9.717 -0.293 1.00 0.00 N ATOM 903 CA ALA A 60 3.002 9.432 -0.813 1.00 0.00 C ATOM 904 C ALA A 60 2.054 9.141 0.352 1.00 0.00 C ATOM 905 O ALA A 60 2.174 8.111 1.012 1.00 0.00 O ATOM 906 CB ALA A 60 3.081 8.269 -1.805 1.00 0.00 C ATOM 0 H ALA A 60 4.925 8.898 -0.174 1.00 0.00 H new ATOM 0 HA ALA A 60 2.608 10.294 -1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.086 8.055 -2.195 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.743 8.537 -2.628 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.470 7.385 -1.299 1.00 0.00 H new ATOM 912 N GLU A 61 1.133 10.068 0.569 1.00 0.00 N ATOM 913 CA GLU A 61 0.165 9.925 1.643 1.00 0.00 C ATOM 914 C GLU A 61 -1.258 9.943 1.080 1.00 0.00 C ATOM 915 O GLU A 61 -1.570 10.740 0.197 1.00 0.00 O ATOM 916 CB GLU A 61 0.351 11.016 2.699 1.00 0.00 C ATOM 917 CG GLU A 61 0.101 12.403 2.104 1.00 0.00 C ATOM 918 CD GLU A 61 0.754 13.492 2.958 1.00 0.00 C ATOM 919 OE1 GLU A 61 0.789 13.300 4.193 1.00 0.00 O ATOM 920 OE2 GLU A 61 1.204 14.491 2.357 1.00 0.00 O ATOM 0 H GLU A 61 1.037 10.922 0.019 1.00 0.00 H new ATOM 0 HA GLU A 61 0.331 8.964 2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.334 10.844 3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.362 10.967 3.104 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.498 12.444 1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.971 12.585 2.034 1.00 0.00 H new ATOM 927 N MET A 62 -2.083 9.055 1.616 1.00 0.00 N ATOM 928 CA MET A 62 -3.466 8.960 1.179 1.00 0.00 C ATOM 929 C MET A 62 -4.397 8.682 2.361 1.00 0.00 C ATOM 930 O MET A 62 -4.005 8.024 3.323 1.00 0.00 O ATOM 931 CB MET A 62 -3.599 7.836 0.149 1.00 0.00 C ATOM 932 CG MET A 62 -5.069 7.502 -0.111 1.00 0.00 C ATOM 933 SD MET A 62 -5.194 6.185 -1.310 1.00 0.00 S ATOM 934 CE MET A 62 -5.355 7.143 -2.807 1.00 0.00 C ATOM 0 H MET A 62 -1.821 8.395 2.348 1.00 0.00 H new ATOM 0 HA MET A 62 -3.752 9.912 0.731 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.120 8.134 -0.784 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.078 6.947 0.506 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.553 7.205 0.819 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.593 8.386 -0.474 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.586 6.480 -3.640 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.158 7.871 -2.689 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.419 7.665 -3.007 1.00 0.00 H new ATOM 944 N THR A 63 -5.612 9.199 2.250 1.00 0.00 N ATOM 945 CA THR A 63 -6.602 9.015 3.297 1.00 0.00 C ATOM 946 C THR A 63 -7.969 8.694 2.689 1.00 0.00 C ATOM 947 O THR A 63 -8.349 9.270 1.671 1.00 0.00 O ATOM 948 CB THR A 63 -6.604 10.271 4.171 1.00 0.00 C ATOM 949 OG1 THR A 63 -5.260 10.377 4.631 1.00 0.00 O ATOM 950 CG2 THR A 63 -7.423 10.091 5.451 1.00 0.00 C ATOM 0 H THR A 63 -5.933 9.745 1.451 1.00 0.00 H new ATOM 0 HA THR A 63 -6.356 8.162 3.929 1.00 0.00 H new ATOM 0 HB THR A 63 -7.002 11.110 3.600 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.930 11.286 4.472 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.392 11.011 6.035 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.456 9.860 5.192 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.005 9.274 6.039 1.00 0.00 H new ATOM 958 N ILE A 64 -8.670 7.777 3.339 1.00 0.00 N ATOM 959 CA ILE A 64 -9.986 7.374 2.875 1.00 0.00 C ATOM 960 C ILE A 64 -10.922 7.225 4.076 1.00 0.00 C ATOM 961 O ILE A 64 -10.483 6.876 5.171 1.00 0.00 O ATOM 962 CB ILE A 64 -9.887 6.113 2.013 1.00 0.00 C ATOM 963 CG1 ILE A 64 -8.861 5.135 2.588 1.00 0.00 C ATOM 964 CG2 ILE A 64 -9.588 6.468 0.555 1.00 0.00 C ATOM 965 CD1 ILE A 64 -9.061 3.731 2.015 1.00 0.00 C ATOM 0 H ILE A 64 -8.351 7.302 4.183 1.00 0.00 H new ATOM 0 HA ILE A 64 -10.414 8.141 2.230 1.00 0.00 H new ATOM 0 HB ILE A 64 -10.854 5.610 2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.854 5.484 2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.951 5.105 3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.523 5.554 -0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.387 7.098 0.163 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.641 7.005 0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.319 3.055 2.440 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -10.061 3.375 2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.946 3.760 0.931 1.00 0.00 H new ATOM 977 N TYR A 65 -12.195 7.499 3.831 1.00 0.00 N ATOM 978 CA TYR A 65 -13.197 7.400 4.879 1.00 0.00 C ATOM 979 C TYR A 65 -14.185 6.268 4.589 1.00 0.00 C ATOM 980 O TYR A 65 -14.701 6.161 3.477 1.00 0.00 O ATOM 981 CB TYR A 65 -13.949 8.732 4.870 1.00 0.00 C ATOM 982 CG TYR A 65 -15.193 8.751 5.761 1.00 0.00 C ATOM 983 CD1 TYR A 65 -16.360 8.153 5.329 1.00 0.00 C ATOM 984 CD2 TYR A 65 -15.148 9.364 6.996 1.00 0.00 C ATOM 985 CE1 TYR A 65 -17.531 8.170 6.167 1.00 0.00 C ATOM 986 CE2 TYR A 65 -16.319 9.382 7.834 1.00 0.00 C ATOM 987 CZ TYR A 65 -17.453 8.784 7.378 1.00 0.00 C ATOM 988 OH TYR A 65 -18.558 8.800 8.170 1.00 0.00 O ATOM 0 H TYR A 65 -12.556 7.789 2.922 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.727 7.191 5.840 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.271 9.522 5.193 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.244 8.964 3.847 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.395 7.672 4.362 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -14.235 9.830 7.334 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -18.450 7.706 5.841 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.298 9.859 8.803 1.00 0.00 H new ATOM 0 HH TYR A 65 -18.355 9.272 9.005 1.00 0.00 H new ATOM 998 N ILE A 66 -14.418 5.453 5.607 1.00 0.00 N ATOM 999 CA ILE A 66 -15.335 4.334 5.475 1.00 0.00 C ATOM 1000 C ILE A 66 -16.642 4.663 6.197 1.00 0.00 C ATOM 1001 O ILE A 66 -16.666 4.787 7.421 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.674 3.041 5.957 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -13.263 2.899 5.384 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.548 1.826 5.636 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -13.268 3.070 3.864 1.00 0.00 C ATOM 0 H ILE A 66 -13.987 5.545 6.527 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.584 4.166 4.427 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.577 3.091 7.042 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -12.607 3.644 5.835 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.859 1.920 5.642 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.055 0.920 5.989 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.513 1.931 6.132 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -15.699 1.761 4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.252 2.964 3.483 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -13.906 2.309 3.414 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -13.650 4.059 3.610 1.00 0.00 H new ATOM 1017 N LYS A 67 -17.700 4.795 5.409 1.00 0.00 N ATOM 1018 CA LYS A 67 -19.008 5.108 5.959 1.00 0.00 C ATOM 1019 C LYS A 67 -19.577 3.866 6.647 1.00 0.00 C ATOM 1020 O LYS A 67 -20.202 3.968 7.702 1.00 0.00 O ATOM 1021 CB LYS A 67 -19.921 5.683 4.874 1.00 0.00 C ATOM 1022 CG LYS A 67 -20.006 4.739 3.672 1.00 0.00 C ATOM 1023 CD LYS A 67 -19.662 5.473 2.374 1.00 0.00 C ATOM 1024 CE LYS A 67 -20.669 5.138 1.272 1.00 0.00 C ATOM 1025 NZ LYS A 67 -20.630 6.164 0.205 1.00 0.00 N ATOM 0 H LYS A 67 -17.678 4.691 4.395 1.00 0.00 H new ATOM 0 HA LYS A 67 -18.926 5.885 6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -20.918 5.848 5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -19.543 6.654 4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -19.322 3.902 3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -21.011 4.322 3.603 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.655 6.549 2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.658 5.197 2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -20.444 4.158 0.851 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -21.673 5.081 1.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -21.319 5.922 -0.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -20.867 7.093 0.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -19.676 6.199 -0.208 1.00 0.00 H new ATOM 1039 N GLN A 68 -19.341 2.721 6.022 1.00 0.00 N ATOM 1040 CA GLN A 68 -19.822 1.461 6.561 1.00 0.00 C ATOM 1041 C GLN A 68 -19.229 1.217 7.950 1.00 0.00 C ATOM 1042 O GLN A 68 -19.721 0.375 8.700 1.00 0.00 O ATOM 1043 CB GLN A 68 -19.501 0.302 5.616 1.00 0.00 C ATOM 1044 CG GLN A 68 -17.997 0.208 5.355 1.00 0.00 C ATOM 1045 CD GLN A 68 -17.662 -1.026 4.515 1.00 0.00 C ATOM 1046 OE1 GLN A 68 -17.448 -2.115 5.022 1.00 0.00 O ATOM 1047 NE2 GLN A 68 -17.629 -0.797 3.205 1.00 0.00 N ATOM 0 H GLN A 68 -18.823 2.640 5.147 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.906 1.519 6.656 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.858 -0.633 6.047 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -20.029 0.440 4.673 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.657 1.106 4.840 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.462 0.163 6.304 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.818 0.139 2.846 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -17.415 -1.557 2.560 1.00 0.00 H new ATOM 1056 N LEU A 69 -18.179 1.968 8.251 1.00 0.00 N ATOM 1057 CA LEU A 69 -17.513 1.843 9.536 1.00 0.00 C ATOM 1058 C LEU A 69 -17.753 3.113 10.355 1.00 0.00 C ATOM 1059 O LEU A 69 -17.783 3.067 11.584 1.00 0.00 O ATOM 1060 CB LEU A 69 -16.033 1.506 9.342 1.00 0.00 C ATOM 1061 CG LEU A 69 -15.734 0.209 8.588 1.00 0.00 C ATOM 1062 CD1 LEU A 69 -14.278 -0.217 8.787 1.00 0.00 C ATOM 1063 CD2 LEU A 69 -16.714 -0.896 8.987 1.00 0.00 C ATOM 0 H LEU A 69 -17.773 2.665 7.627 1.00 0.00 H new ATOM 0 HA LEU A 69 -17.933 1.013 10.104 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -15.560 2.330 8.808 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.562 1.449 10.323 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.873 0.393 7.523 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.092 -1.142 8.241 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.616 0.565 8.414 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.088 -0.378 9.848 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.479 -1.807 8.436 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.631 -1.087 10.057 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -17.731 -0.582 8.752 1.00 0.00 H new ATOM 1075 N GLY A 70 -17.918 4.217 9.641 1.00 0.00 N ATOM 1076 CA GLY A 70 -18.154 5.497 10.287 1.00 0.00 C ATOM 1077 C GLY A 70 -16.834 6.179 10.651 1.00 0.00 C ATOM 1078 O GLY A 70 -16.829 7.218 11.310 1.00 0.00 O ATOM 0 H GLY A 70 -17.893 4.252 8.622 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.730 6.142 9.624 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.752 5.350 11.187 1.00 0.00 H new ATOM 1082 N ARG A 71 -15.746 5.566 10.208 1.00 0.00 N ATOM 1083 CA ARG A 71 -14.423 6.101 10.480 1.00 0.00 C ATOM 1084 C ARG A 71 -13.622 6.222 9.181 1.00 0.00 C ATOM 1085 O ARG A 71 -14.070 5.772 8.128 1.00 0.00 O ATOM 1086 CB ARG A 71 -13.659 5.209 11.460 1.00 0.00 C ATOM 1087 CG ARG A 71 -13.358 3.843 10.840 1.00 0.00 C ATOM 1088 CD ARG A 71 -11.904 3.437 11.086 1.00 0.00 C ATOM 1089 NE ARG A 71 -11.544 3.679 12.501 1.00 0.00 N ATOM 1090 CZ ARG A 71 -10.871 4.755 12.932 1.00 0.00 C ATOM 1091 NH1 ARG A 71 -10.481 5.694 12.060 1.00 0.00 N ATOM 1092 NH2 ARG A 71 -10.588 4.891 14.234 1.00 0.00 N ATOM 0 H ARG A 71 -15.754 4.704 9.663 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.550 7.087 10.927 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.727 5.695 11.748 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.245 5.078 12.370 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -14.025 3.093 11.264 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -13.554 3.875 9.768 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -11.765 2.384 10.842 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.243 4.006 10.432 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.826 2.983 13.192 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.696 5.590 11.068 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.969 6.513 12.388 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.885 4.176 14.898 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.076 5.710 14.562 1.00 0.00 H new ATOM 1106 N ARG A 72 -12.452 6.833 9.300 1.00 0.00 N ATOM 1107 CA ARG A 72 -11.586 7.019 8.148 1.00 0.00 C ATOM 1108 C ARG A 72 -10.137 6.688 8.515 1.00 0.00 C ATOM 1109 O ARG A 72 -9.697 6.967 9.630 1.00 0.00 O ATOM 1110 CB ARG A 72 -11.658 8.457 7.631 1.00 0.00 C ATOM 1111 CG ARG A 72 -11.463 9.460 8.770 1.00 0.00 C ATOM 1112 CD ARG A 72 -10.293 10.402 8.478 1.00 0.00 C ATOM 1113 NE ARG A 72 -9.301 10.333 9.574 1.00 0.00 N ATOM 1114 CZ ARG A 72 -8.333 11.238 9.769 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -8.219 12.286 8.942 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -7.477 11.094 10.791 1.00 0.00 N ATOM 0 H ARG A 72 -12.084 7.205 10.175 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.929 6.345 7.363 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.893 8.612 6.870 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.623 8.627 7.153 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.375 10.040 8.909 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.280 8.926 9.702 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.823 10.129 7.533 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.657 11.424 8.369 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.358 9.547 10.222 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.869 12.395 8.164 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.482 12.975 9.091 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.563 10.295 11.420 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.740 11.783 10.940 1.00 0.00 H new ATOM 1130 N ILE A 73 -9.437 6.100 7.557 1.00 0.00 N ATOM 1131 CA ILE A 73 -8.048 5.728 7.765 1.00 0.00 C ATOM 1132 C ILE A 73 -7.147 6.674 6.969 1.00 0.00 C ATOM 1133 O ILE A 73 -7.586 7.280 5.993 1.00 0.00 O ATOM 1134 CB ILE A 73 -7.833 4.250 7.434 1.00 0.00 C ATOM 1135 CG1 ILE A 73 -8.254 3.944 5.995 1.00 0.00 C ATOM 1136 CG2 ILE A 73 -8.550 3.352 8.444 1.00 0.00 C ATOM 1137 CD1 ILE A 73 -7.670 2.610 5.525 1.00 0.00 C ATOM 0 H ILE A 73 -9.806 5.872 6.634 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.778 5.837 8.815 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.767 4.034 7.511 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.342 3.912 5.929 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.918 4.745 5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.381 2.307 8.186 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.161 3.546 9.444 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.619 3.563 8.423 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.984 2.416 4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.582 2.654 5.569 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.027 1.808 6.171 1.00 0.00 H new ATOM 1149 N PHE A 74 -5.903 6.771 7.416 1.00 0.00 N ATOM 1150 CA PHE A 74 -4.937 7.633 6.758 1.00 0.00 C ATOM 1151 C PHE A 74 -3.602 6.911 6.561 1.00 0.00 C ATOM 1152 O PHE A 74 -3.281 5.981 7.300 1.00 0.00 O ATOM 1153 CB PHE A 74 -4.720 8.841 7.671 1.00 0.00 C ATOM 1154 CG PHE A 74 -3.318 9.447 7.579 1.00 0.00 C ATOM 1155 CD1 PHE A 74 -2.289 8.890 8.273 1.00 0.00 C ATOM 1156 CD2 PHE A 74 -3.100 10.543 6.803 1.00 0.00 C ATOM 1157 CE1 PHE A 74 -0.988 9.452 8.187 1.00 0.00 C ATOM 1158 CE2 PHE A 74 -1.799 11.105 6.717 1.00 0.00 C ATOM 1159 CZ PHE A 74 -0.770 10.548 7.411 1.00 0.00 C ATOM 0 H PHE A 74 -5.543 6.267 8.226 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.309 7.927 5.776 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.453 9.608 7.422 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.909 8.543 8.702 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.462 8.020 8.889 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.917 10.986 6.252 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.171 9.009 8.738 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.626 11.975 6.101 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.220 10.976 7.346 1.00 0.00 H new ATOM 1169 N ALA A 75 -2.861 7.366 5.562 1.00 0.00 N ATOM 1170 CA ALA A 75 -1.569 6.774 5.259 1.00 0.00 C ATOM 1171 C ALA A 75 -0.593 7.877 4.843 1.00 0.00 C ATOM 1172 O ALA A 75 -1.007 8.913 4.325 1.00 0.00 O ATOM 1173 CB ALA A 75 -1.737 5.706 4.177 1.00 0.00 C ATOM 0 H ALA A 75 -3.130 8.138 4.952 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.156 6.283 6.140 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.768 5.262 3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.416 4.931 4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.147 6.162 3.276 1.00 0.00 H new ATOM 1179 N ARG A 76 0.683 7.616 5.085 1.00 0.00 N ATOM 1180 CA ARG A 76 1.721 8.573 4.741 1.00 0.00 C ATOM 1181 C ARG A 76 3.101 7.921 4.848 1.00 0.00 C ATOM 1182 O ARG A 76 3.739 7.978 5.897 1.00 0.00 O ATOM 1183 CB ARG A 76 1.669 9.795 5.661 1.00 0.00 C ATOM 1184 CG ARG A 76 2.799 10.774 5.336 1.00 0.00 C ATOM 1185 CD ARG A 76 3.636 11.078 6.579 1.00 0.00 C ATOM 1186 NE ARG A 76 3.206 12.361 7.178 1.00 0.00 N ATOM 1187 CZ ARG A 76 3.679 13.559 6.808 1.00 0.00 C ATOM 1188 NH1 ARG A 76 4.600 13.646 5.839 1.00 0.00 N ATOM 1189 NH2 ARG A 76 3.231 14.671 7.408 1.00 0.00 N ATOM 0 H ARG A 76 1.022 6.755 5.515 1.00 0.00 H new ATOM 0 HA ARG A 76 1.547 8.897 3.715 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.707 10.296 5.553 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.747 9.476 6.700 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.436 10.354 4.558 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.381 11.699 4.940 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.527 10.273 7.306 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.692 11.127 6.313 1.00 0.00 H new ATOM 0 HE ARG A 76 2.506 12.332 7.919 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.941 12.800 5.383 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.960 14.558 5.558 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.530 14.605 8.146 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.591 15.583 7.126 1.00 0.00 H new ATOM 1203 N GLU A 77 3.521 7.317 3.746 1.00 0.00 N ATOM 1204 CA GLU A 77 4.813 6.655 3.702 1.00 0.00 C ATOM 1205 C GLU A 77 5.846 7.551 3.014 1.00 0.00 C ATOM 1206 O GLU A 77 5.509 8.626 2.521 1.00 0.00 O ATOM 1207 CB GLU A 77 4.711 5.299 3.001 1.00 0.00 C ATOM 1208 CG GLU A 77 3.851 4.326 3.811 1.00 0.00 C ATOM 1209 CD GLU A 77 4.695 3.578 4.844 1.00 0.00 C ATOM 1210 OE1 GLU A 77 4.840 4.122 5.960 1.00 0.00 O ATOM 1211 OE2 GLU A 77 5.176 2.479 4.495 1.00 0.00 O ATOM 0 H GLU A 77 2.989 7.272 2.877 1.00 0.00 H new ATOM 0 HA GLU A 77 5.141 6.474 4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.281 5.430 2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.708 4.881 2.863 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.054 4.872 4.315 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.374 3.612 3.140 1.00 0.00 H new ATOM 1218 N HIS A 78 7.082 7.075 3.004 1.00 0.00 N ATOM 1219 CA HIS A 78 8.165 7.819 2.385 1.00 0.00 C ATOM 1220 C HIS A 78 8.994 6.883 1.504 1.00 0.00 C ATOM 1221 O HIS A 78 10.126 6.543 1.845 1.00 0.00 O ATOM 1222 CB HIS A 78 9.006 8.536 3.444 1.00 0.00 C ATOM 1223 CG HIS A 78 10.389 8.920 2.973 1.00 0.00 C ATOM 1224 ND1 HIS A 78 11.519 8.757 3.755 1.00 0.00 N ATOM 1225 CD2 HIS A 78 10.811 9.459 1.794 1.00 0.00 C ATOM 1226 CE1 HIS A 78 12.569 9.183 3.068 1.00 0.00 C ATOM 1227 NE2 HIS A 78 12.128 9.618 1.853 1.00 0.00 N ATOM 0 H HIS A 78 7.358 6.183 3.415 1.00 0.00 H new ATOM 0 HA HIS A 78 7.755 8.597 1.742 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.479 9.435 3.764 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.097 7.892 4.319 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.540 8.374 4.700 1.00 0.00 H new ATOM 0 HD2 HIS A 78 10.181 9.713 0.954 1.00 0.00 H new ATOM 0 HE1 HIS A 78 13.593 9.185 3.410 1.00 0.00 H new ATOM 1235 N GLY A 79 8.398 6.491 0.387 1.00 0.00 N ATOM 1236 CA GLY A 79 9.067 5.600 -0.546 1.00 0.00 C ATOM 1237 C GLY A 79 10.128 6.349 -1.354 1.00 0.00 C ATOM 1238 O GLY A 79 10.415 7.514 -1.080 1.00 0.00 O ATOM 0 H GLY A 79 7.459 6.774 0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.533 4.779 -0.000 1.00 0.00 H new ATOM 0 HA3 GLY A 79 8.334 5.159 -1.222 1.00 0.00 H new ATOM 1242 N SER A 80 10.683 5.650 -2.333 1.00 0.00 N ATOM 1243 CA SER A 80 11.707 6.234 -3.182 1.00 0.00 C ATOM 1244 C SER A 80 11.059 7.112 -4.255 1.00 0.00 C ATOM 1245 O SER A 80 11.256 8.326 -4.272 1.00 0.00 O ATOM 1246 CB SER A 80 12.568 5.149 -3.833 1.00 0.00 C ATOM 1247 OG SER A 80 13.730 4.857 -3.062 1.00 0.00 O ATOM 0 H SER A 80 10.443 4.684 -2.557 1.00 0.00 H new ATOM 0 HA SER A 80 12.356 6.850 -2.560 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.977 4.242 -3.956 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.866 5.472 -4.830 1.00 0.00 H new ATOM 0 HG SER A 80 14.252 4.159 -3.509 1.00 0.00 H new ATOM 1253 N ASN A 81 10.298 6.463 -5.124 1.00 0.00 N ATOM 1254 CA ASN A 81 9.619 7.169 -6.198 1.00 0.00 C ATOM 1255 C ASN A 81 8.108 7.106 -5.969 1.00 0.00 C ATOM 1256 O ASN A 81 7.643 6.427 -5.055 1.00 0.00 O ATOM 1257 CB ASN A 81 9.919 6.528 -7.554 1.00 0.00 C ATOM 1258 CG ASN A 81 9.439 5.075 -7.592 1.00 0.00 C ATOM 1259 OD1 ASN A 81 8.265 4.778 -7.443 1.00 0.00 O ATOM 1260 ND2 ASN A 81 10.410 4.190 -7.799 1.00 0.00 N ATOM 0 H ASN A 81 10.136 5.456 -5.106 1.00 0.00 H new ATOM 0 HA ASN A 81 9.973 8.200 -6.200 1.00 0.00 H new ATOM 0 HB2 ASN A 81 9.431 7.097 -8.345 1.00 0.00 H new ATOM 0 HB3 ASN A 81 10.991 6.566 -7.749 1.00 0.00 H new ATOM 0 HD21 ASN A 81 10.192 3.194 -7.841 1.00 0.00 H new ATOM 0 HD22 ASN A 81 11.372 4.507 -7.916 1.00 0.00 H new ATOM 1267 N LYS A 82 7.383 7.825 -6.814 1.00 0.00 N ATOM 1268 CA LYS A 82 5.934 7.859 -6.714 1.00 0.00 C ATOM 1269 C LYS A 82 5.397 6.428 -6.647 1.00 0.00 C ATOM 1270 O LYS A 82 4.797 6.033 -5.649 1.00 0.00 O ATOM 1271 CB LYS A 82 5.338 8.687 -7.855 1.00 0.00 C ATOM 1272 CG LYS A 82 5.381 10.181 -7.530 1.00 0.00 C ATOM 1273 CD LYS A 82 4.573 10.987 -8.548 1.00 0.00 C ATOM 1274 CE LYS A 82 4.161 12.343 -7.972 1.00 0.00 C ATOM 1275 NZ LYS A 82 4.648 13.443 -8.835 1.00 0.00 N ATOM 0 H LYS A 82 7.772 8.388 -7.570 1.00 0.00 H new ATOM 0 HA LYS A 82 5.627 8.358 -5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.890 8.495 -8.775 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.307 8.379 -8.032 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.984 10.351 -6.529 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.415 10.526 -7.526 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.165 11.136 -9.451 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.685 10.426 -8.838 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.076 12.394 -7.886 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.566 12.456 -6.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.360 14.356 -8.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.685 13.403 -8.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.241 13.343 -9.787 1.00 0.00 H new ATOM 1289 N LYS A 83 5.633 5.691 -7.722 1.00 0.00 N ATOM 1290 CA LYS A 83 5.181 4.312 -7.798 1.00 0.00 C ATOM 1291 C LYS A 83 5.378 3.640 -6.438 1.00 0.00 C ATOM 1292 O LYS A 83 4.411 3.373 -5.727 1.00 0.00 O ATOM 1293 CB LYS A 83 5.874 3.583 -8.951 1.00 0.00 C ATOM 1294 CG LYS A 83 4.895 3.306 -10.093 1.00 0.00 C ATOM 1295 CD LYS A 83 5.616 3.286 -11.442 1.00 0.00 C ATOM 1296 CE LYS A 83 4.726 2.683 -12.531 1.00 0.00 C ATOM 1297 NZ LYS A 83 4.832 1.207 -12.527 1.00 0.00 N ATOM 0 H LYS A 83 6.131 6.023 -8.548 1.00 0.00 H new ATOM 0 HA LYS A 83 4.115 4.272 -8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.706 4.184 -9.318 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.294 2.644 -8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.399 2.349 -9.928 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.118 4.070 -10.104 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.901 4.300 -11.721 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.536 2.708 -11.358 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.690 2.980 -12.368 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.020 3.072 -13.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.222 0.813 -13.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.818 0.929 -12.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.530 0.840 -11.602 1.00 0.00 H new ATOM 1311 N LEU A 84 6.638 3.385 -6.117 1.00 0.00 N ATOM 1312 CA LEU A 84 6.975 2.749 -4.855 1.00 0.00 C ATOM 1313 C LEU A 84 6.084 3.317 -3.748 1.00 0.00 C ATOM 1314 O LEU A 84 5.199 2.628 -3.244 1.00 0.00 O ATOM 1315 CB LEU A 84 8.472 2.884 -4.569 1.00 0.00 C ATOM 1316 CG LEU A 84 9.388 1.913 -5.315 1.00 0.00 C ATOM 1317 CD1 LEU A 84 10.860 2.271 -5.100 1.00 0.00 C ATOM 1318 CD2 LEU A 84 9.088 0.465 -4.922 1.00 0.00 C ATOM 0 H LEU A 84 7.438 3.607 -6.709 1.00 0.00 H new ATOM 0 HA LEU A 84 6.779 1.678 -4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.778 3.901 -4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.630 2.752 -3.499 1.00 0.00 H new ATOM 0 HG LEU A 84 9.187 2.006 -6.382 1.00 0.00 H new ATOM 0 HD11 LEU A 84 11.489 1.565 -5.641 1.00 0.00 H new ATOM 0 HD12 LEU A 84 11.047 3.280 -5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 84 11.094 2.224 -4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.753 -0.205 -5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.244 0.339 -3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.053 0.228 -5.168 1.00 0.00 H new ATOM 1330 N ALA A 85 6.348 4.569 -3.404 1.00 0.00 N ATOM 1331 CA ALA A 85 5.582 5.238 -2.367 1.00 0.00 C ATOM 1332 C ALA A 85 4.119 4.795 -2.454 1.00 0.00 C ATOM 1333 O ALA A 85 3.613 4.132 -1.551 1.00 0.00 O ATOM 1334 CB ALA A 85 5.742 6.752 -2.509 1.00 0.00 C ATOM 0 H ALA A 85 7.082 5.138 -3.826 1.00 0.00 H new ATOM 0 HA ALA A 85 5.952 4.963 -1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.167 7.253 -1.730 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.795 7.017 -2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.379 7.066 -3.488 1.00 0.00 H new ATOM 1340 N ALA A 86 3.483 5.180 -3.550 1.00 0.00 N ATOM 1341 CA ALA A 86 2.089 4.832 -3.768 1.00 0.00 C ATOM 1342 C ALA A 86 1.848 3.395 -3.301 1.00 0.00 C ATOM 1343 O ALA A 86 1.176 3.169 -2.295 1.00 0.00 O ATOM 1344 CB ALA A 86 1.736 5.032 -5.243 1.00 0.00 C ATOM 0 H ALA A 86 3.907 5.730 -4.297 1.00 0.00 H new ATOM 0 HA ALA A 86 1.436 5.483 -3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.690 4.771 -5.406 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.896 6.075 -5.517 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.369 4.393 -5.859 1.00 0.00 H new ATOM 1350 N GLN A 87 2.411 2.460 -4.052 1.00 0.00 N ATOM 1351 CA GLN A 87 2.266 1.051 -3.728 1.00 0.00 C ATOM 1352 C GLN A 87 2.317 0.847 -2.212 1.00 0.00 C ATOM 1353 O GLN A 87 1.613 -0.006 -1.673 1.00 0.00 O ATOM 1354 CB GLN A 87 3.337 0.214 -4.429 1.00 0.00 C ATOM 1355 CG GLN A 87 2.728 -0.625 -5.555 1.00 0.00 C ATOM 1356 CD GLN A 87 3.376 -2.009 -5.621 1.00 0.00 C ATOM 1357 OE1 GLN A 87 2.752 -3.027 -5.372 1.00 0.00 O ATOM 1358 NE2 GLN A 87 4.660 -1.989 -5.968 1.00 0.00 N ATOM 0 H GLN A 87 2.969 2.651 -4.884 1.00 0.00 H new ATOM 0 HA GLN A 87 1.294 0.714 -4.089 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.108 0.869 -4.835 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.824 -0.440 -3.706 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.655 -0.729 -5.396 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.860 -0.112 -6.508 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.122 -1.101 -6.163 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.183 -2.862 -6.039 1.00 0.00 H new ATOM 1367 N SER A 88 3.155 1.645 -1.568 1.00 0.00 N ATOM 1368 CA SER A 88 3.307 1.563 -0.125 1.00 0.00 C ATOM 1369 C SER A 88 2.080 2.163 0.565 1.00 0.00 C ATOM 1370 O SER A 88 1.457 1.515 1.405 1.00 0.00 O ATOM 1371 CB SER A 88 4.578 2.279 0.337 1.00 0.00 C ATOM 1372 OG SER A 88 5.442 1.413 1.069 1.00 0.00 O ATOM 0 H SER A 88 3.736 2.352 -2.019 1.00 0.00 H new ATOM 0 HA SER A 88 3.394 0.512 0.150 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.108 2.672 -0.530 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.308 3.132 0.959 1.00 0.00 H new ATOM 0 HG SER A 88 6.243 1.906 1.345 1.00 0.00 H new ATOM 1378 N CYS A 89 1.769 3.393 0.185 1.00 0.00 N ATOM 1379 CA CYS A 89 0.628 4.088 0.756 1.00 0.00 C ATOM 1380 C CYS A 89 -0.588 3.163 0.671 1.00 0.00 C ATOM 1381 O CYS A 89 -1.216 2.862 1.686 1.00 0.00 O ATOM 1382 CB CYS A 89 0.376 5.428 0.063 1.00 0.00 C ATOM 1383 SG CYS A 89 -0.476 6.574 1.208 1.00 0.00 S ATOM 0 H CYS A 89 2.288 3.927 -0.512 1.00 0.00 H new ATOM 0 HA CYS A 89 0.830 4.327 1.800 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.321 5.862 -0.262 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.230 5.277 -0.831 1.00 0.00 H new ATOM 0 HG CYS A 89 0.264 6.767 2.259 1.00 0.00 H new ATOM 1389 N ALA A 90 -0.885 2.740 -0.548 1.00 0.00 N ATOM 1390 CA ALA A 90 -2.015 1.856 -0.779 1.00 0.00 C ATOM 1391 C ALA A 90 -1.999 0.732 0.260 1.00 0.00 C ATOM 1392 O ALA A 90 -2.874 0.667 1.122 1.00 0.00 O ATOM 1393 CB ALA A 90 -1.964 1.325 -2.213 1.00 0.00 C ATOM 0 H ALA A 90 -0.363 2.993 -1.387 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.954 2.397 -0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.812 0.662 -2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.008 2.160 -2.912 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.036 0.774 -2.364 1.00 0.00 H new ATOM 1399 N LEU A 91 -0.995 -0.123 0.144 1.00 0.00 N ATOM 1400 CA LEU A 91 -0.853 -1.240 1.062 1.00 0.00 C ATOM 1401 C LEU A 91 -1.166 -0.769 2.483 1.00 0.00 C ATOM 1402 O LEU A 91 -1.717 -1.523 3.284 1.00 0.00 O ATOM 1403 CB LEU A 91 0.529 -1.882 0.917 1.00 0.00 C ATOM 1404 CG LEU A 91 0.832 -3.043 1.865 1.00 0.00 C ATOM 1405 CD1 LEU A 91 -0.011 -4.271 1.514 1.00 0.00 C ATOM 1406 CD2 LEU A 91 2.328 -3.361 1.882 1.00 0.00 C ATOM 0 H LEU A 91 -0.271 -0.065 -0.572 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.570 -2.025 0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.637 -2.238 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.284 -1.110 1.067 1.00 0.00 H new ATOM 0 HG LEU A 91 0.556 -2.740 2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.224 -5.082 2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.069 -4.021 1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.211 -4.585 0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.516 -4.190 2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.653 -3.636 0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.883 -2.484 2.216 1.00 0.00 H new ATOM 1418 N SER A 92 -0.801 0.475 2.754 1.00 0.00 N ATOM 1419 CA SER A 92 -1.036 1.056 4.065 1.00 0.00 C ATOM 1420 C SER A 92 -2.533 1.044 4.382 1.00 0.00 C ATOM 1421 O SER A 92 -2.946 0.543 5.427 1.00 0.00 O ATOM 1422 CB SER A 92 -0.488 2.483 4.142 1.00 0.00 C ATOM 1423 OG SER A 92 -0.022 2.806 5.449 1.00 0.00 O ATOM 0 H SER A 92 -0.344 1.097 2.088 1.00 0.00 H new ATOM 0 HA SER A 92 -0.510 0.454 4.805 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.328 2.597 3.428 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.268 3.187 3.851 1.00 0.00 H new ATOM 0 HG SER A 92 0.321 3.724 5.456 1.00 0.00 H new ATOM 1429 N LEU A 93 -3.305 1.602 3.461 1.00 0.00 N ATOM 1430 CA LEU A 93 -4.747 1.662 3.629 1.00 0.00 C ATOM 1431 C LEU A 93 -5.319 0.243 3.591 1.00 0.00 C ATOM 1432 O LEU A 93 -6.193 -0.099 4.387 1.00 0.00 O ATOM 1433 CB LEU A 93 -5.368 2.603 2.595 1.00 0.00 C ATOM 1434 CG LEU A 93 -4.893 4.057 2.642 1.00 0.00 C ATOM 1435 CD1 LEU A 93 -4.849 4.574 4.081 1.00 0.00 C ATOM 1436 CD2 LEU A 93 -3.546 4.217 1.934 1.00 0.00 C ATOM 0 H LEU A 93 -2.959 2.017 2.596 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.001 2.083 4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.162 2.206 1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.450 2.590 2.725 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.615 4.669 2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.508 5.609 4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.846 4.518 4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.161 3.963 4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.231 5.259 1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.801 3.590 2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.645 3.915 0.891 1.00 0.00 H new ATOM 1448 N VAL A 94 -4.804 -0.544 2.658 1.00 0.00 N ATOM 1449 CA VAL A 94 -5.254 -1.917 2.506 1.00 0.00 C ATOM 1450 C VAL A 94 -5.125 -2.643 3.847 1.00 0.00 C ATOM 1451 O VAL A 94 -6.085 -3.243 4.327 1.00 0.00 O ATOM 1452 CB VAL A 94 -4.477 -2.601 1.379 1.00 0.00 C ATOM 1453 CG1 VAL A 94 -4.918 -4.056 1.213 1.00 0.00 C ATOM 1454 CG2 VAL A 94 -4.624 -1.830 0.066 1.00 0.00 C ATOM 0 H VAL A 94 -4.080 -0.257 2.000 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.306 -1.945 2.221 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.422 -2.601 1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.350 -4.518 0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.738 -4.599 2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.981 -4.089 0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.062 -2.337 -0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.677 -1.784 -0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.238 -0.819 0.193 1.00 0.00 H new ATOM 1464 N ARG A 95 -3.929 -2.564 4.414 1.00 0.00 N ATOM 1465 CA ARG A 95 -3.662 -3.206 5.690 1.00 0.00 C ATOM 1466 C ARG A 95 -4.738 -2.827 6.710 1.00 0.00 C ATOM 1467 O ARG A 95 -5.353 -3.699 7.321 1.00 0.00 O ATOM 1468 CB ARG A 95 -2.290 -2.802 6.232 1.00 0.00 C ATOM 1469 CG ARG A 95 -1.275 -3.934 6.053 1.00 0.00 C ATOM 1470 CD ARG A 95 -0.001 -3.425 5.376 1.00 0.00 C ATOM 1471 NE ARG A 95 0.966 -2.964 6.398 1.00 0.00 N ATOM 1472 CZ ARG A 95 1.786 -3.778 7.077 1.00 0.00 C ATOM 1473 NH1 ARG A 95 1.762 -5.097 6.848 1.00 0.00 N ATOM 1474 NH2 ARG A 95 2.630 -3.271 7.986 1.00 0.00 N ATOM 0 H ARG A 95 -3.135 -2.065 4.013 1.00 0.00 H new ATOM 0 HA ARG A 95 -3.673 -4.284 5.529 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.939 -1.909 5.715 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.373 -2.547 7.288 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.029 -4.363 7.024 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.716 -4.731 5.454 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.443 -4.218 4.775 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.242 -2.607 4.697 1.00 0.00 H new ATOM 0 HE ARG A 95 1.011 -1.965 6.598 1.00 0.00 H new ATOM 0 HH11 ARG A 95 1.119 -5.483 6.156 1.00 0.00 H new ATOM 0 HH12 ARG A 95 2.386 -5.716 7.365 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.648 -2.266 8.161 1.00 0.00 H new ATOM 0 HH22 ARG A 95 3.254 -3.890 8.503 1.00 0.00 H new ATOM 1488 N GLN A 96 -4.931 -1.525 6.862 1.00 0.00 N ATOM 1489 CA GLN A 96 -5.921 -1.020 7.798 1.00 0.00 C ATOM 1490 C GLN A 96 -7.301 -1.596 7.472 1.00 0.00 C ATOM 1491 O GLN A 96 -7.963 -2.161 8.342 1.00 0.00 O ATOM 1492 CB GLN A 96 -5.951 0.509 7.793 1.00 0.00 C ATOM 1493 CG GLN A 96 -4.926 1.081 8.775 1.00 0.00 C ATOM 1494 CD GLN A 96 -4.548 2.515 8.401 1.00 0.00 C ATOM 1495 OE1 GLN A 96 -4.637 3.436 9.197 1.00 0.00 O ATOM 1496 NE2 GLN A 96 -4.123 2.653 7.148 1.00 0.00 N ATOM 0 H GLN A 96 -4.419 -0.805 6.353 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.641 -1.342 8.801 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.742 0.877 6.788 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.949 0.858 8.059 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.335 1.061 9.785 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.033 0.455 8.780 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.073 1.840 6.534 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.847 3.572 6.801 1.00 0.00 H new ATOM 1505 N LEU A 97 -7.694 -1.433 6.218 1.00 0.00 N ATOM 1506 CA LEU A 97 -8.983 -1.929 5.767 1.00 0.00 C ATOM 1507 C LEU A 97 -9.162 -3.374 6.238 1.00 0.00 C ATOM 1508 O LEU A 97 -10.149 -3.698 6.897 1.00 0.00 O ATOM 1509 CB LEU A 97 -9.125 -1.754 4.254 1.00 0.00 C ATOM 1510 CG LEU A 97 -9.208 -0.312 3.750 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -8.826 -0.225 2.271 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -10.590 0.286 4.021 1.00 0.00 C ATOM 0 H LEU A 97 -7.142 -0.964 5.499 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.791 -1.346 6.209 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.276 -2.238 3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.021 -2.283 3.930 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.485 0.285 4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.893 0.811 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.805 -0.583 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.507 -0.840 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.621 1.311 3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.349 -0.306 3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.785 0.279 5.093 1.00 0.00 H new ATOM 1524 N TYR A 98 -8.192 -4.203 5.882 1.00 0.00 N ATOM 1525 CA TYR A 98 -8.229 -5.605 6.261 1.00 0.00 C ATOM 1526 C TYR A 98 -8.330 -5.761 7.779 1.00 0.00 C ATOM 1527 O TYR A 98 -9.017 -6.655 8.271 1.00 0.00 O ATOM 1528 CB TYR A 98 -6.905 -6.206 5.785 1.00 0.00 C ATOM 1529 CG TYR A 98 -6.443 -7.416 6.599 1.00 0.00 C ATOM 1530 CD1 TYR A 98 -7.121 -8.614 6.501 1.00 0.00 C ATOM 1531 CD2 TYR A 98 -5.347 -7.310 7.433 1.00 0.00 C ATOM 1532 CE1 TYR A 98 -6.686 -9.753 7.267 1.00 0.00 C ATOM 1533 CE2 TYR A 98 -4.912 -8.449 8.199 1.00 0.00 C ATOM 1534 CZ TYR A 98 -5.603 -9.614 8.078 1.00 0.00 C ATOM 1535 OH TYR A 98 -5.192 -10.690 8.802 1.00 0.00 O ATOM 0 H TYR A 98 -7.375 -3.931 5.335 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.095 -6.099 5.820 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.006 -6.501 4.741 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -6.133 -5.437 5.826 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.978 -8.697 5.849 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -4.816 -6.373 7.511 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.208 -10.696 7.199 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -4.057 -8.380 8.855 1.00 0.00 H new ATOM 0 HH TYR A 98 -4.407 -10.445 9.335 1.00 0.00 H new ATOM 1545 N HIS A 99 -7.636 -4.876 8.480 1.00 0.00 N ATOM 1546 CA HIS A 99 -7.639 -4.904 9.933 1.00 0.00 C ATOM 1547 C HIS A 99 -9.063 -4.683 10.448 1.00 0.00 C ATOM 1548 O HIS A 99 -9.592 -5.507 11.192 1.00 0.00 O ATOM 1549 CB HIS A 99 -6.640 -3.892 10.498 1.00 0.00 C ATOM 1550 CG HIS A 99 -6.994 -3.383 11.875 1.00 0.00 C ATOM 1551 ND1 HIS A 99 -7.058 -2.113 12.367 1.00 0.00 N flip ATOM 1552 CD2 HIS A 99 -7.331 -4.225 12.921 1.00 0.00 C flip ATOM 1553 CE1 HIS A 99 -7.416 -2.174 13.643 1.00 0.00 C flip ATOM 1554 NE2 HIS A 99 -7.586 -3.483 13.989 1.00 0.00 N flip ATOM 0 H HIS A 99 -7.068 -4.135 8.069 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.312 -5.883 10.282 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -5.653 -4.353 10.535 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.571 -3.045 9.815 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -7.378 -5.303 12.875 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.551 -1.327 14.300 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.861 -3.829 14.908 1.00 0.00 H new ATOM 1562 N LEU A 100 -9.642 -3.567 10.031 1.00 0.00 N ATOM 1563 CA LEU A 100 -10.994 -3.227 10.440 1.00 0.00 C ATOM 1564 C LEU A 100 -11.946 -4.350 10.023 1.00 0.00 C ATOM 1565 O LEU A 100 -12.766 -4.801 10.821 1.00 0.00 O ATOM 1566 CB LEU A 100 -11.388 -1.852 9.897 1.00 0.00 C ATOM 1567 CG LEU A 100 -10.796 -0.646 10.629 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -11.609 -0.310 11.880 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -9.317 -0.872 10.950 1.00 0.00 C ATOM 0 H LEU A 100 -9.199 -2.886 9.414 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.055 -3.144 11.525 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.090 -1.798 8.850 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.475 -1.771 9.924 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.854 0.218 9.967 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -11.166 0.551 12.381 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.635 -0.076 11.595 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.606 -1.165 12.556 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.920 -0.000 11.470 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.213 -1.752 11.585 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.763 -1.025 10.024 1.00 0.00 H new ATOM 1581 N GLY A 101 -11.804 -4.768 8.774 1.00 0.00 N ATOM 1582 CA GLY A 101 -12.641 -5.830 8.242 1.00 0.00 C ATOM 1583 C GLY A 101 -13.458 -5.336 7.045 1.00 0.00 C ATOM 1584 O GLY A 101 -14.641 -5.649 6.926 1.00 0.00 O ATOM 0 H GLY A 101 -11.122 -4.391 8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.018 -6.672 7.939 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.312 -6.193 9.020 1.00 0.00 H new ATOM 1588 N VAL A 102 -12.792 -4.574 6.190 1.00 0.00 N ATOM 1589 CA VAL A 102 -13.442 -4.034 5.008 1.00 0.00 C ATOM 1590 C VAL A 102 -13.171 -4.955 3.817 1.00 0.00 C ATOM 1591 O VAL A 102 -14.058 -5.686 3.378 1.00 0.00 O ATOM 1592 CB VAL A 102 -12.979 -2.595 4.767 1.00 0.00 C ATOM 1593 CG1 VAL A 102 -13.676 -1.992 3.547 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -13.204 -1.732 6.010 1.00 0.00 C ATOM 0 H VAL A 102 -11.810 -4.318 6.292 1.00 0.00 H new ATOM 0 HA VAL A 102 -14.522 -3.995 5.151 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.908 -2.617 4.564 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -13.329 -0.969 3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -13.442 -2.587 2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -14.754 -1.990 3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.867 -0.714 5.812 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.265 -1.721 6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.640 -2.145 6.847 1.00 0.00 H new ATOM 1604 N ILE A 103 -11.941 -4.891 3.327 1.00 0.00 N ATOM 1605 CA ILE A 103 -11.542 -5.711 2.196 1.00 0.00 C ATOM 1606 C ILE A 103 -11.806 -7.183 2.520 1.00 0.00 C ATOM 1607 O ILE A 103 -12.957 -7.617 2.560 1.00 0.00 O ATOM 1608 CB ILE A 103 -10.092 -5.418 1.807 1.00 0.00 C ATOM 1609 CG1 ILE A 103 -9.218 -5.232 3.048 1.00 0.00 C ATOM 1610 CG2 ILE A 103 -10.010 -4.217 0.862 1.00 0.00 C ATOM 1611 CD1 ILE A 103 -7.743 -5.479 2.723 1.00 0.00 C ATOM 0 H ILE A 103 -11.208 -4.284 3.693 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.139 -5.465 1.318 1.00 0.00 H new ATOM 0 HB ILE A 103 -9.702 -6.280 1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.344 -4.222 3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -9.541 -5.918 3.831 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -8.968 -4.030 0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.579 -4.427 -0.044 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.424 -3.337 1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.144 -5.340 3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.617 -6.498 2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -7.416 -4.775 1.957 1.00 0.00 H new ATOM 1623 N GLU A 104 -10.722 -7.911 2.743 1.00 0.00 N ATOM 1624 CA GLU A 104 -10.822 -9.325 3.063 1.00 0.00 C ATOM 1625 C GLU A 104 -9.432 -9.964 3.083 1.00 0.00 C ATOM 1626 O GLU A 104 -8.648 -9.723 4.000 1.00 0.00 O ATOM 1627 CB GLU A 104 -11.742 -10.046 2.076 1.00 0.00 C ATOM 1628 CG GLU A 104 -11.722 -11.557 2.312 1.00 0.00 C ATOM 1629 CD GLU A 104 -13.100 -12.063 2.745 1.00 0.00 C ATOM 1630 OE1 GLU A 104 -13.742 -11.347 3.544 1.00 0.00 O ATOM 1631 OE2 GLU A 104 -13.481 -13.153 2.267 1.00 0.00 O ATOM 0 H GLU A 104 -9.769 -7.548 2.708 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.260 -9.423 4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.760 -9.671 2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -11.427 -9.830 1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.414 -12.067 1.399 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.985 -11.799 3.077 1.00 0.00 H new