USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=15 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 24 THR OG1 : rot -101:sc= 0.44 USER MOD Set 1.2: A 27 ASN : amide:sc= -0.698 K(o=-0.26,f=-13!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 20:sc= -1.93! USER MOD Single : A 37 GLN : amide:sc= -0.016 X(o=-0.016,f=0) 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= -0.0277 X(o=-0.028,f=0) USER MOD Single : A 45 TYR OH : rot 69:sc= -6.24! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.065 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.68 X(o=-1.7,f=-1.5) USER MOD Single : A 54 HIS :FLIP no HD1:sc= -8.37! C(o=-9.5!,f=-8.4!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= -0.357 USER MOD Single : A 62 MET CE :methyl -166:sc= -6.2! (180deg=-7.61!) USER MOD Single : A 63 THR OG1 : rot -88:sc= 0.501 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 78 HIS : no HD1:sc= -0.0045 X(o=-0.0045,f=-0.0045) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0.0602 K(o=0.06,f=-11!) 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= -1.85! C(o=-1.9!,f=-5!) USER MOD Single : A 88 SER OG : rot -115:sc= 0.827 USER MOD Single : A 89 CYS SG : rot 61:sc= -7.2! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.12) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -5.2! C(o=-5.2!,f=-7.9!) USER MOD ----------------------------------------------------------------- ATOM 276 N TRP A 23 -1.814 -9.894 0.145 1.00 0.00 N ATOM 277 CA TRP A 23 -1.976 -8.473 -0.116 1.00 0.00 C ATOM 278 C TRP A 23 -0.587 -7.874 -0.347 1.00 0.00 C ATOM 279 O TRP A 23 0.049 -7.393 0.590 1.00 0.00 O ATOM 280 CB TRP A 23 -2.740 -7.791 1.021 1.00 0.00 C ATOM 281 CG TRP A 23 -4.244 -8.073 1.017 1.00 0.00 C ATOM 282 CD1 TRP A 23 -5.005 -8.502 2.033 1.00 0.00 C ATOM 283 CD2 TRP A 23 -5.143 -7.926 -0.102 1.00 0.00 C ATOM 284 NE1 TRP A 23 -6.324 -8.642 1.651 1.00 0.00 N ATOM 285 CE2 TRP A 23 -6.410 -8.281 0.312 1.00 0.00 C ATOM 286 CE3 TRP A 23 -4.894 -7.507 -1.421 1.00 0.00 C ATOM 287 CZ2 TRP A 23 -7.528 -8.253 -0.531 1.00 0.00 C ATOM 288 CZ3 TRP A 23 -6.021 -7.485 -2.251 1.00 0.00 C ATOM 289 CH2 TRP A 23 -7.304 -7.839 -1.849 1.00 0.00 C ATOM 0 HA TRP A 23 -2.578 -8.310 -1.010 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.322 -8.118 1.973 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.582 -6.714 0.956 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.633 -8.712 3.025 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -7.094 -8.953 2.243 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -3.911 -7.224 -1.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.510 -8.536 -0.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.884 -7.171 -3.275 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -8.124 -7.795 -2.551 1.00 0.00 H new ATOM 300 N THR A 24 -0.158 -7.922 -1.599 1.00 0.00 N ATOM 301 CA THR A 24 1.144 -7.390 -1.965 1.00 0.00 C ATOM 302 C THR A 24 1.016 -5.936 -2.423 1.00 0.00 C ATOM 303 O THR A 24 -0.019 -5.538 -2.956 1.00 0.00 O ATOM 304 CB THR A 24 1.749 -8.310 -3.027 1.00 0.00 C ATOM 305 OG1 THR A 24 1.039 -7.980 -4.218 1.00 0.00 O ATOM 306 CG2 THR A 24 1.410 -9.783 -2.788 1.00 0.00 C ATOM 0 H THR A 24 -0.689 -8.321 -2.373 1.00 0.00 H new ATOM 0 HA THR A 24 1.818 -7.370 -1.109 1.00 0.00 H new ATOM 0 HB THR A 24 2.832 -8.184 -3.041 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.348 -8.655 -4.384 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.864 -10.392 -3.570 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.796 -10.092 -1.817 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.328 -9.915 -2.807 1.00 0.00 H new ATOM 314 N LEU A 25 2.082 -5.182 -2.198 1.00 0.00 N ATOM 315 CA LEU A 25 2.102 -3.781 -2.580 1.00 0.00 C ATOM 316 C LEU A 25 1.331 -3.603 -3.889 1.00 0.00 C ATOM 317 O LEU A 25 0.470 -2.730 -3.993 1.00 0.00 O ATOM 318 CB LEU A 25 3.540 -3.262 -2.639 1.00 0.00 C ATOM 319 CG LEU A 25 4.084 -2.645 -1.348 1.00 0.00 C ATOM 320 CD1 LEU A 25 5.488 -2.075 -1.562 1.00 0.00 C ATOM 321 CD2 LEU A 25 3.118 -1.596 -0.793 1.00 0.00 C ATOM 0 H LEU A 25 2.938 -5.516 -1.756 1.00 0.00 H new ATOM 0 HA LEU A 25 1.599 -3.174 -1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.192 -4.087 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.604 -2.515 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 25 4.167 -3.434 -0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.851 -1.643 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.160 -2.873 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.454 -1.303 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.528 -1.173 0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.980 -0.803 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.157 -2.064 -0.579 1.00 0.00 H new ATOM 333 N GLU A 26 1.667 -4.444 -4.856 1.00 0.00 N ATOM 334 CA GLU A 26 1.016 -4.390 -6.154 1.00 0.00 C ATOM 335 C GLU A 26 -0.492 -4.598 -6.001 1.00 0.00 C ATOM 336 O GLU A 26 -1.286 -3.802 -6.500 1.00 0.00 O ATOM 337 CB GLU A 26 1.618 -5.420 -7.112 1.00 0.00 C ATOM 338 CG GLU A 26 2.727 -4.798 -7.962 1.00 0.00 C ATOM 339 CD GLU A 26 2.216 -4.451 -9.362 1.00 0.00 C ATOM 340 OE1 GLU A 26 1.239 -3.675 -9.433 1.00 0.00 O ATOM 341 OE2 GLU A 26 2.816 -4.969 -10.329 1.00 0.00 O ATOM 0 H GLU A 26 2.381 -5.167 -4.767 1.00 0.00 H new ATOM 0 HA GLU A 26 1.184 -3.402 -6.583 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.018 -6.260 -6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.838 -5.818 -7.761 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.102 -3.898 -7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.564 -5.492 -8.038 1.00 0.00 H new ATOM 348 N ASN A 27 -0.841 -5.673 -5.309 1.00 0.00 N ATOM 349 CA ASN A 27 -2.240 -5.996 -5.084 1.00 0.00 C ATOM 350 C ASN A 27 -2.918 -4.831 -4.359 1.00 0.00 C ATOM 351 O ASN A 27 -3.751 -4.136 -4.938 1.00 0.00 O ATOM 352 CB ASN A 27 -2.384 -7.244 -4.211 1.00 0.00 C ATOM 353 CG ASN A 27 -1.821 -8.477 -4.921 1.00 0.00 C ATOM 354 OD1 ASN A 27 -0.992 -9.202 -4.397 1.00 0.00 O ATOM 355 ND2 ASN A 27 -2.317 -8.673 -6.139 1.00 0.00 N ATOM 0 H ASN A 27 -0.179 -6.331 -4.897 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.704 -6.179 -6.053 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.862 -7.094 -3.266 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.435 -7.406 -3.972 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.005 -9.470 -6.694 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.009 -8.027 -6.518 1.00 0.00 H new ATOM 362 N ALA A 28 -2.535 -4.655 -3.103 1.00 0.00 N ATOM 363 CA ALA A 28 -3.095 -3.587 -2.293 1.00 0.00 C ATOM 364 C ALA A 28 -3.324 -2.354 -3.170 1.00 0.00 C ATOM 365 O ALA A 28 -4.343 -1.677 -3.042 1.00 0.00 O ATOM 366 CB ALA A 28 -2.164 -3.298 -1.114 1.00 0.00 C ATOM 0 H ALA A 28 -1.844 -5.234 -2.627 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.060 -3.883 -1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.584 -2.497 -0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.057 -4.196 -0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.186 -2.995 -1.488 1.00 0.00 H new ATOM 372 N LYS A 29 -2.359 -2.099 -4.041 1.00 0.00 N ATOM 373 CA LYS A 29 -2.442 -0.960 -4.939 1.00 0.00 C ATOM 374 C LYS A 29 -3.659 -1.124 -5.852 1.00 0.00 C ATOM 375 O LYS A 29 -4.625 -0.369 -5.746 1.00 0.00 O ATOM 376 CB LYS A 29 -1.125 -0.777 -5.696 1.00 0.00 C ATOM 377 CG LYS A 29 -1.311 0.146 -6.903 1.00 0.00 C ATOM 378 CD LYS A 29 -0.100 1.064 -7.082 1.00 0.00 C ATOM 379 CE LYS A 29 -0.469 2.521 -6.795 1.00 0.00 C ATOM 380 NZ LYS A 29 -0.054 3.391 -7.918 1.00 0.00 N ATOM 0 H LYS A 29 -1.515 -2.662 -4.144 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.588 -0.039 -4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.372 -0.360 -5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.755 -1.747 -6.029 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.456 -0.451 -7.803 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.211 0.747 -6.771 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.701 0.750 -6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.281 0.975 -8.099 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.544 2.606 -6.639 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.013 2.850 -5.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.312 4.376 -7.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.976 3.323 -8.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.534 3.086 -8.789 1.00 0.00 H new ATOM 394 N ALA A 30 -3.573 -2.114 -6.728 1.00 0.00 N ATOM 395 CA ALA A 30 -4.655 -2.386 -7.659 1.00 0.00 C ATOM 396 C ALA A 30 -5.970 -2.502 -6.885 1.00 0.00 C ATOM 397 O ALA A 30 -6.910 -1.750 -7.137 1.00 0.00 O ATOM 398 CB ALA A 30 -4.335 -3.651 -8.458 1.00 0.00 C ATOM 0 H ALA A 30 -2.771 -2.738 -6.813 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.763 -1.569 -8.372 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.147 -3.855 -9.156 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.407 -3.507 -9.012 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.223 -4.494 -7.776 1.00 0.00 H new ATOM 404 N ARG A 31 -5.994 -3.450 -5.960 1.00 0.00 N ATOM 405 CA ARG A 31 -7.178 -3.674 -5.148 1.00 0.00 C ATOM 406 C ARG A 31 -7.823 -2.339 -4.772 1.00 0.00 C ATOM 407 O ARG A 31 -9.010 -2.128 -5.017 1.00 0.00 O ATOM 408 CB ARG A 31 -6.833 -4.445 -3.872 1.00 0.00 C ATOM 409 CG ARG A 31 -8.060 -4.585 -2.969 1.00 0.00 C ATOM 410 CD ARG A 31 -9.207 -5.280 -3.705 1.00 0.00 C ATOM 411 NE ARG A 31 -10.391 -5.374 -2.823 1.00 0.00 N ATOM 412 CZ ARG A 31 -11.515 -6.030 -3.142 1.00 0.00 C ATOM 413 NH1 ARG A 31 -11.614 -6.654 -4.324 1.00 0.00 N ATOM 414 NH2 ARG A 31 -12.540 -6.062 -2.280 1.00 0.00 N ATOM 0 H ARG A 31 -5.212 -4.072 -5.755 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.878 -4.266 -5.737 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.453 -5.433 -4.131 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.038 -3.929 -3.334 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.797 -5.155 -2.078 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.383 -3.600 -2.633 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.460 -4.725 -4.608 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.897 -6.277 -4.019 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.349 -4.910 -1.915 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.834 -6.630 -4.981 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.470 -7.153 -4.567 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.465 -5.587 -1.381 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.395 -6.561 -2.523 1.00 0.00 H new ATOM 428 N LEU A 32 -7.014 -1.473 -4.181 1.00 0.00 N ATOM 429 CA LEU A 32 -7.491 -0.164 -3.768 1.00 0.00 C ATOM 430 C LEU A 32 -8.281 0.471 -4.914 1.00 0.00 C ATOM 431 O LEU A 32 -9.456 0.799 -4.755 1.00 0.00 O ATOM 432 CB LEU A 32 -6.329 0.698 -3.271 1.00 0.00 C ATOM 433 CG LEU A 32 -6.713 2.006 -2.576 1.00 0.00 C ATOM 434 CD1 LEU A 32 -7.447 1.734 -1.262 1.00 0.00 C ATOM 435 CD2 LEU A 32 -5.488 2.900 -2.375 1.00 0.00 C ATOM 0 H LEU A 32 -6.031 -1.652 -3.978 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.173 -0.257 -2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.732 0.104 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.689 0.936 -4.121 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.403 2.547 -3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.708 2.680 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.355 1.166 -1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.801 1.161 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.789 3.823 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.755 2.379 -1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.047 3.136 -3.343 1.00 0.00 H new ATOM 447 N ASN A 33 -7.605 0.625 -6.042 1.00 0.00 N ATOM 448 CA ASN A 33 -8.229 1.215 -7.214 1.00 0.00 C ATOM 449 C ASN A 33 -9.556 0.507 -7.491 1.00 0.00 C ATOM 450 O ASN A 33 -10.536 1.144 -7.874 1.00 0.00 O ATOM 451 CB ASN A 33 -7.341 1.055 -8.450 1.00 0.00 C ATOM 452 CG ASN A 33 -8.070 1.522 -9.712 1.00 0.00 C ATOM 453 OD1 ASN A 33 -8.609 2.615 -9.781 1.00 0.00 O ATOM 454 ND2 ASN A 33 -8.055 0.636 -10.704 1.00 0.00 N ATOM 0 H ASN A 33 -6.631 0.351 -6.170 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.384 2.276 -7.016 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.424 1.631 -8.321 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.049 0.011 -8.560 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.513 0.854 -11.589 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.585 -0.261 -10.580 1.00 0.00 H new ATOM 461 N GLN A 34 -9.546 -0.802 -7.286 1.00 0.00 N ATOM 462 CA GLN A 34 -10.737 -1.604 -7.508 1.00 0.00 C ATOM 463 C GLN A 34 -11.846 -1.188 -6.540 1.00 0.00 C ATOM 464 O GLN A 34 -12.979 -0.947 -6.954 1.00 0.00 O ATOM 465 CB GLN A 34 -10.426 -3.096 -7.376 1.00 0.00 C ATOM 466 CG GLN A 34 -10.365 -3.767 -8.750 1.00 0.00 C ATOM 467 CD GLN A 34 -11.575 -4.679 -8.969 1.00 0.00 C ATOM 468 OE1 GLN A 34 -12.539 -4.326 -9.628 1.00 0.00 O ATOM 469 NE2 GLN A 34 -11.470 -5.867 -8.381 1.00 0.00 N ATOM 0 H GLN A 34 -8.731 -1.327 -6.968 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.085 -1.427 -8.526 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.475 -3.229 -6.860 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.190 -3.578 -6.766 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.333 -3.006 -9.529 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.447 -4.348 -8.834 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.634 -6.098 -7.844 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.225 -6.547 -8.467 1.00 0.00 H new ATOM 478 N TYR A 35 -11.481 -1.115 -5.268 1.00 0.00 N ATOM 479 CA TYR A 35 -12.430 -0.732 -4.238 1.00 0.00 C ATOM 480 C TYR A 35 -13.080 0.615 -4.564 1.00 0.00 C ATOM 481 O TYR A 35 -14.227 0.860 -4.195 1.00 0.00 O ATOM 482 CB TYR A 35 -11.620 -0.594 -2.947 1.00 0.00 C ATOM 483 CG TYR A 35 -12.394 0.043 -1.791 1.00 0.00 C ATOM 484 CD1 TYR A 35 -13.418 -0.652 -1.181 1.00 0.00 C ATOM 485 CD2 TYR A 35 -12.067 1.312 -1.359 1.00 0.00 C ATOM 486 CE1 TYR A 35 -14.146 -0.052 -0.093 1.00 0.00 C ATOM 487 CE2 TYR A 35 -12.796 1.912 -0.271 1.00 0.00 C ATOM 488 CZ TYR A 35 -13.799 1.200 0.308 1.00 0.00 C ATOM 489 OH TYR A 35 -14.487 1.766 1.336 1.00 0.00 O ATOM 0 H TYR A 35 -10.540 -1.315 -4.928 1.00 0.00 H new ATOM 0 HA TYR A 35 -13.225 -1.473 -4.155 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -11.275 -1.581 -2.639 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -10.732 0.005 -3.150 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -13.673 -1.645 -1.519 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -11.265 1.855 -1.836 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -14.950 -0.585 0.394 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -12.551 2.905 0.077 1.00 0.00 H new ATOM 0 HH TYR A 35 -14.938 1.066 1.853 1.00 0.00 H new ATOM 499 N PHE A 36 -12.317 1.452 -5.252 1.00 0.00 N ATOM 500 CA PHE A 36 -12.804 2.767 -5.632 1.00 0.00 C ATOM 501 C PHE A 36 -13.679 2.687 -6.884 1.00 0.00 C ATOM 502 O PHE A 36 -14.540 3.539 -7.100 1.00 0.00 O ATOM 503 CB PHE A 36 -11.576 3.628 -5.936 1.00 0.00 C ATOM 504 CG PHE A 36 -10.784 4.043 -4.695 1.00 0.00 C ATOM 505 CD1 PHE A 36 -11.196 3.645 -3.461 1.00 0.00 C ATOM 506 CD2 PHE A 36 -9.668 4.809 -4.825 1.00 0.00 C ATOM 507 CE1 PHE A 36 -10.460 4.030 -2.309 1.00 0.00 C ATOM 508 CE2 PHE A 36 -8.932 5.194 -3.673 1.00 0.00 C ATOM 509 CZ PHE A 36 -9.344 4.796 -2.439 1.00 0.00 C ATOM 0 H PHE A 36 -11.366 1.245 -5.556 1.00 0.00 H new ATOM 0 HA PHE A 36 -13.407 3.188 -4.827 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.917 3.078 -6.608 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.896 4.525 -6.467 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.082 3.037 -3.357 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.341 5.125 -5.805 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.787 3.714 -1.329 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.046 5.802 -3.777 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.785 5.088 -1.563 1.00 0.00 H new ATOM 519 N GLN A 37 -13.428 1.656 -7.678 1.00 0.00 N ATOM 520 CA GLN A 37 -14.183 1.454 -8.903 1.00 0.00 C ATOM 521 C GLN A 37 -15.495 0.725 -8.605 1.00 0.00 C ATOM 522 O GLN A 37 -16.525 1.024 -9.206 1.00 0.00 O ATOM 523 CB GLN A 37 -13.354 0.689 -9.937 1.00 0.00 C ATOM 524 CG GLN A 37 -12.595 1.652 -10.852 1.00 0.00 C ATOM 525 CD GLN A 37 -13.181 1.642 -12.266 1.00 0.00 C ATOM 526 OE1 GLN A 37 -14.358 1.883 -12.479 1.00 0.00 O ATOM 527 NE2 GLN A 37 -12.297 1.350 -13.216 1.00 0.00 N ATOM 0 H GLN A 37 -12.713 0.952 -7.497 1.00 0.00 H new ATOM 0 HA GLN A 37 -14.421 2.430 -9.325 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.648 0.032 -9.429 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -14.008 0.053 -10.534 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.641 2.661 -10.442 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -11.542 1.371 -10.889 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.326 1.159 -12.968 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.590 1.318 -14.193 1.00 0.00 H new ATOM 536 N LYS A 38 -15.413 -0.217 -7.676 1.00 0.00 N ATOM 537 CA LYS A 38 -16.581 -0.990 -7.291 1.00 0.00 C ATOM 538 C LYS A 38 -17.576 -0.078 -6.570 1.00 0.00 C ATOM 539 O LYS A 38 -18.721 0.059 -6.999 1.00 0.00 O ATOM 540 CB LYS A 38 -16.167 -2.216 -6.474 1.00 0.00 C ATOM 541 CG LYS A 38 -16.229 -3.487 -7.323 1.00 0.00 C ATOM 542 CD LYS A 38 -17.673 -3.821 -7.705 1.00 0.00 C ATOM 543 CE LYS A 38 -18.279 -4.830 -6.728 1.00 0.00 C ATOM 544 NZ LYS A 38 -18.236 -6.195 -7.299 1.00 0.00 N ATOM 0 H LYS A 38 -14.556 -0.462 -7.179 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.087 -1.380 -8.174 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.155 -2.078 -6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.823 -2.320 -5.609 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.631 -3.356 -8.225 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.793 -4.319 -6.770 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.272 -2.910 -7.710 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.701 -4.227 -8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.732 -4.806 -5.786 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.310 -4.555 -6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.651 -6.867 -6.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.778 -6.217 -8.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.249 -6.461 -7.489 1.00 0.00 H new ATOM 558 N GLU A 39 -17.103 0.521 -5.487 1.00 0.00 N ATOM 559 CA GLU A 39 -17.937 1.416 -4.703 1.00 0.00 C ATOM 560 C GLU A 39 -18.135 2.741 -5.441 1.00 0.00 C ATOM 561 O GLU A 39 -18.981 3.548 -5.060 1.00 0.00 O ATOM 562 CB GLU A 39 -17.339 1.646 -3.314 1.00 0.00 C ATOM 563 CG GLU A 39 -17.904 0.648 -2.301 1.00 0.00 C ATOM 564 CD GLU A 39 -19.170 1.196 -1.640 1.00 0.00 C ATOM 565 OE1 GLU A 39 -19.054 2.250 -0.977 1.00 0.00 O ATOM 566 OE2 GLU A 39 -20.226 0.549 -1.812 1.00 0.00 O ATOM 0 H GLU A 39 -16.153 0.404 -5.134 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.912 0.948 -4.570 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.254 1.548 -3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.553 2.663 -2.986 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.129 -0.295 -2.800 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -17.155 0.434 -1.539 1.00 0.00 H new ATOM 573 N LYS A 40 -17.340 2.925 -6.485 1.00 0.00 N ATOM 574 CA LYS A 40 -17.416 4.138 -7.280 1.00 0.00 C ATOM 575 C LYS A 40 -16.854 5.309 -6.471 1.00 0.00 C ATOM 576 O LYS A 40 -17.254 6.455 -6.672 1.00 0.00 O ATOM 577 CB LYS A 40 -18.846 4.364 -7.777 1.00 0.00 C ATOM 578 CG LYS A 40 -18.912 4.304 -9.304 1.00 0.00 C ATOM 579 CD LYS A 40 -20.177 3.581 -9.770 1.00 0.00 C ATOM 580 CE LYS A 40 -21.067 4.511 -10.596 1.00 0.00 C ATOM 581 NZ LYS A 40 -22.175 3.752 -11.218 1.00 0.00 N ATOM 0 H LYS A 40 -16.639 2.253 -6.799 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.802 4.045 -8.176 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.506 3.609 -7.351 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -19.206 5.333 -7.432 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.895 5.315 -9.712 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.032 3.790 -9.690 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.904 2.710 -10.365 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.731 3.215 -8.905 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -21.470 5.298 -9.959 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.474 4.999 -11.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.769 4.399 -11.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -21.785 3.017 -11.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.751 3.306 -10.475 1.00 0.00 H new ATOM 595 N ILE A 41 -15.936 4.981 -5.575 1.00 0.00 N ATOM 596 CA ILE A 41 -15.315 5.991 -4.735 1.00 0.00 C ATOM 597 C ILE A 41 -14.164 6.647 -5.500 1.00 0.00 C ATOM 598 O ILE A 41 -13.718 6.127 -6.522 1.00 0.00 O ATOM 599 CB ILE A 41 -14.896 5.388 -3.393 1.00 0.00 C ATOM 600 CG1 ILE A 41 -16.118 4.951 -2.583 1.00 0.00 C ATOM 601 CG2 ILE A 41 -14.007 6.356 -2.610 1.00 0.00 C ATOM 602 CD1 ILE A 41 -15.731 3.925 -1.515 1.00 0.00 C ATOM 0 H ILE A 41 -15.607 4.029 -5.412 1.00 0.00 H new ATOM 0 HA ILE A 41 -16.029 6.779 -4.495 1.00 0.00 H new ATOM 0 HB ILE A 41 -14.304 4.495 -3.591 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -16.574 5.820 -2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -16.866 4.522 -3.250 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -13.724 5.902 -1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.110 6.576 -3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.553 7.280 -2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -16.618 3.632 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.298 3.047 -1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -15.001 4.365 -0.835 1.00 0.00 H new ATOM 614 N GLN A 42 -13.716 7.778 -4.976 1.00 0.00 N ATOM 615 CA GLN A 42 -12.626 8.511 -5.598 1.00 0.00 C ATOM 616 C GLN A 42 -11.554 8.849 -4.559 1.00 0.00 C ATOM 617 O GLN A 42 -11.868 9.342 -3.477 1.00 0.00 O ATOM 618 CB GLN A 42 -13.138 9.775 -6.289 1.00 0.00 C ATOM 619 CG GLN A 42 -13.937 9.427 -7.547 1.00 0.00 C ATOM 620 CD GLN A 42 -15.132 10.367 -7.715 1.00 0.00 C ATOM 621 OE1 GLN A 42 -14.999 11.579 -7.771 1.00 0.00 O ATOM 622 NE2 GLN A 42 -16.304 9.744 -7.793 1.00 0.00 N ATOM 0 H GLN A 42 -14.088 8.205 -4.128 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.177 7.877 -6.362 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -13.765 10.341 -5.601 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -12.297 10.415 -6.554 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.291 9.494 -8.422 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -14.286 8.396 -7.487 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -16.345 8.726 -7.739 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -17.162 10.284 -7.907 1.00 0.00 H new ATOM 631 N GLY A 43 -10.312 8.571 -4.925 1.00 0.00 N ATOM 632 CA GLY A 43 -9.192 8.840 -4.039 1.00 0.00 C ATOM 633 C GLY A 43 -7.864 8.760 -4.793 1.00 0.00 C ATOM 634 O GLY A 43 -7.617 7.800 -5.522 1.00 0.00 O ATOM 0 H GLY A 43 -10.056 8.162 -5.824 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.304 9.830 -3.596 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.192 8.122 -3.219 1.00 0.00 H new ATOM 638 N GLU A 44 -7.043 9.780 -4.592 1.00 0.00 N ATOM 639 CA GLU A 44 -5.746 9.837 -5.245 1.00 0.00 C ATOM 640 C GLU A 44 -4.626 9.840 -4.201 1.00 0.00 C ATOM 641 O GLU A 44 -4.889 9.736 -3.004 1.00 0.00 O ATOM 642 CB GLU A 44 -5.645 11.058 -6.160 1.00 0.00 C ATOM 643 CG GLU A 44 -6.516 12.205 -5.642 1.00 0.00 C ATOM 644 CD GLU A 44 -6.514 13.380 -6.621 1.00 0.00 C ATOM 645 OE1 GLU A 44 -5.409 13.724 -7.094 1.00 0.00 O ATOM 646 OE2 GLU A 44 -7.617 13.909 -6.875 1.00 0.00 O ATOM 0 H GLU A 44 -7.251 10.574 -3.986 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.635 8.949 -5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.607 11.385 -6.223 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.956 10.787 -7.169 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.537 11.853 -5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.148 12.536 -4.671 1.00 0.00 H new ATOM 653 N TYR A 45 -3.402 9.960 -4.694 1.00 0.00 N ATOM 654 CA TYR A 45 -2.242 9.978 -3.819 1.00 0.00 C ATOM 655 C TYR A 45 -1.518 11.323 -3.896 1.00 0.00 C ATOM 656 O TYR A 45 -1.286 11.846 -4.985 1.00 0.00 O ATOM 657 CB TYR A 45 -1.309 8.880 -4.333 1.00 0.00 C ATOM 658 CG TYR A 45 -1.863 7.464 -4.166 1.00 0.00 C ATOM 659 CD1 TYR A 45 -2.806 6.983 -5.051 1.00 0.00 C ATOM 660 CD2 TYR A 45 -1.419 6.667 -3.130 1.00 0.00 C ATOM 661 CE1 TYR A 45 -3.328 5.650 -4.894 1.00 0.00 C ATOM 662 CE2 TYR A 45 -1.941 5.334 -2.973 1.00 0.00 C ATOM 663 CZ TYR A 45 -2.869 4.891 -3.863 1.00 0.00 C ATOM 664 OH TYR A 45 -3.362 3.632 -3.714 1.00 0.00 O ATOM 0 H TYR A 45 -3.188 10.046 -5.688 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.541 9.821 -2.783 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.104 9.057 -5.389 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.357 8.951 -3.807 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.153 7.606 -5.862 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.680 7.043 -2.437 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.067 5.262 -5.579 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.603 4.700 -2.166 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.045 3.067 -4.450 1.00 0.00 H new ATOM 674 N LYS A 46 -1.182 11.846 -2.725 1.00 0.00 N ATOM 675 CA LYS A 46 -0.489 13.121 -2.647 1.00 0.00 C ATOM 676 C LYS A 46 0.995 12.873 -2.366 1.00 0.00 C ATOM 677 O LYS A 46 1.364 12.485 -1.258 1.00 0.00 O ATOM 678 CB LYS A 46 -1.164 14.035 -1.623 1.00 0.00 C ATOM 679 CG LYS A 46 -0.561 15.441 -1.661 1.00 0.00 C ATOM 680 CD LYS A 46 -1.275 16.316 -2.694 1.00 0.00 C ATOM 681 CE LYS A 46 -2.068 17.433 -2.012 1.00 0.00 C ATOM 682 NZ LYS A 46 -3.260 17.786 -2.815 1.00 0.00 N ATOM 0 H LYS A 46 -1.377 11.410 -1.824 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.550 13.647 -3.599 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.233 14.088 -1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.051 13.614 -0.624 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.637 15.900 -0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.500 15.379 -1.903 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.544 16.749 -3.377 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.947 15.702 -3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.375 17.114 -1.016 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.435 18.311 -1.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.787 18.545 -2.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.961 18.111 -3.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.871 16.950 -2.915 1.00 0.00 H new ATOM 696 N TYR A 47 1.805 13.109 -3.387 1.00 0.00 N ATOM 697 CA TYR A 47 3.240 12.916 -3.264 1.00 0.00 C ATOM 698 C TYR A 47 3.926 14.197 -2.784 1.00 0.00 C ATOM 699 O TYR A 47 3.823 15.239 -3.429 1.00 0.00 O ATOM 700 CB TYR A 47 3.742 12.579 -4.669 1.00 0.00 C ATOM 701 CG TYR A 47 3.127 11.310 -5.262 1.00 0.00 C ATOM 702 CD1 TYR A 47 3.645 10.073 -4.934 1.00 0.00 C ATOM 703 CD2 TYR A 47 2.053 11.401 -6.124 1.00 0.00 C ATOM 704 CE1 TYR A 47 3.066 8.879 -5.492 1.00 0.00 C ATOM 705 CE2 TYR A 47 1.474 10.207 -6.682 1.00 0.00 C ATOM 706 CZ TYR A 47 2.009 9.004 -6.338 1.00 0.00 C ATOM 707 OH TYR A 47 1.462 7.876 -6.865 1.00 0.00 O ATOM 0 H TYR A 47 1.495 13.432 -4.303 1.00 0.00 H new ATOM 0 HA TYR A 47 3.461 12.130 -2.541 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.528 13.418 -5.331 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.826 12.465 -4.639 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.485 10.001 -4.259 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.647 12.368 -6.380 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.462 7.905 -5.244 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.634 10.265 -7.358 1.00 0.00 H new ATOM 0 HH TYR A 47 0.714 8.118 -7.451 1.00 0.00 H new ATOM 717 N THR A 48 4.610 14.077 -1.656 1.00 0.00 N ATOM 718 CA THR A 48 5.312 15.212 -1.082 1.00 0.00 C ATOM 719 C THR A 48 6.825 15.025 -1.213 1.00 0.00 C ATOM 720 O THR A 48 7.412 14.190 -0.526 1.00 0.00 O ATOM 721 CB THR A 48 4.843 15.377 0.365 1.00 0.00 C ATOM 722 OG1 THR A 48 3.557 15.980 0.247 1.00 0.00 O ATOM 723 CG2 THR A 48 5.669 16.408 1.135 1.00 0.00 C ATOM 0 H THR A 48 4.693 13.211 -1.124 1.00 0.00 H new ATOM 0 HA THR A 48 5.082 16.132 -1.620 1.00 0.00 H new ATOM 0 HB THR A 48 4.897 14.415 0.875 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.179 16.121 1.140 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.294 16.486 2.156 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.713 16.096 1.155 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.589 17.378 0.644 1.00 0.00 H new ATOM 731 N GLN A 49 7.412 15.815 -2.099 1.00 0.00 N ATOM 732 CA GLN A 49 8.846 15.747 -2.328 1.00 0.00 C ATOM 733 C GLN A 49 9.598 16.450 -1.197 1.00 0.00 C ATOM 734 O GLN A 49 9.241 17.560 -0.805 1.00 0.00 O ATOM 735 CB GLN A 49 9.212 16.347 -3.687 1.00 0.00 C ATOM 736 CG GLN A 49 10.666 16.036 -4.049 1.00 0.00 C ATOM 737 CD GLN A 49 11.486 17.321 -4.179 1.00 0.00 C ATOM 738 OE1 GLN A 49 11.609 18.106 -3.253 1.00 0.00 O ATOM 739 NE2 GLN A 49 12.039 17.492 -5.376 1.00 0.00 N ATOM 0 H GLN A 49 6.921 16.506 -2.667 1.00 0.00 H new ATOM 0 HA GLN A 49 9.144 14.699 -2.338 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.549 15.949 -4.455 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.062 17.426 -3.665 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.106 15.396 -3.284 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.700 15.482 -4.987 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.896 16.796 -6.108 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.606 18.319 -5.562 1.00 0.00 H new ATOM 748 N VAL A 50 10.627 15.775 -0.705 1.00 0.00 N ATOM 749 CA VAL A 50 11.433 16.321 0.374 1.00 0.00 C ATOM 750 C VAL A 50 12.911 16.045 0.090 1.00 0.00 C ATOM 751 O VAL A 50 13.266 15.613 -1.006 1.00 0.00 O ATOM 752 CB VAL A 50 10.966 15.754 1.716 1.00 0.00 C ATOM 753 CG1 VAL A 50 9.525 16.172 2.016 1.00 0.00 C ATOM 754 CG2 VAL A 50 11.113 14.231 1.748 1.00 0.00 C ATOM 0 H VAL A 50 10.921 14.855 -1.034 1.00 0.00 H new ATOM 0 HA VAL A 50 11.309 17.402 0.433 1.00 0.00 H new ATOM 0 HB VAL A 50 11.604 16.169 2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.218 15.756 2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.462 17.259 2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.867 15.799 1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.774 13.853 2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.510 13.791 0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 50 12.159 13.963 1.601 1.00 0.00 H new ATOM 764 N GLY A 51 13.732 16.306 1.096 1.00 0.00 N ATOM 765 CA GLY A 51 15.164 16.091 0.968 1.00 0.00 C ATOM 766 C GLY A 51 15.720 16.815 -0.260 1.00 0.00 C ATOM 767 O GLY A 51 14.967 17.420 -1.022 1.00 0.00 O ATOM 0 H GLY A 51 13.434 16.664 2.003 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.670 16.448 1.865 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.369 15.023 0.889 1.00 0.00 H new ATOM 771 N PRO A 52 17.068 16.728 -0.417 1.00 0.00 N ATOM 772 CA PRO A 52 17.733 17.367 -1.540 1.00 0.00 C ATOM 773 C PRO A 52 17.496 16.587 -2.834 1.00 0.00 C ATOM 774 O PRO A 52 17.104 15.421 -2.798 1.00 0.00 O ATOM 775 CB PRO A 52 19.199 17.430 -1.144 1.00 0.00 C ATOM 776 CG PRO A 52 19.374 16.413 -0.028 1.00 0.00 C ATOM 777 CD PRO A 52 17.991 16.020 0.466 1.00 0.00 C ATOM 0 HA PRO A 52 17.346 18.365 -1.746 1.00 0.00 H new ATOM 0 HB2 PRO A 52 19.843 17.194 -1.991 1.00 0.00 H new ATOM 0 HB3 PRO A 52 19.470 18.430 -0.807 1.00 0.00 H new ATOM 0 HG2 PRO A 52 19.913 15.538 -0.390 1.00 0.00 H new ATOM 0 HG3 PRO A 52 19.964 16.836 0.785 1.00 0.00 H new ATOM 0 HD2 PRO A 52 17.843 14.942 0.412 1.00 0.00 H new ATOM 0 HD3 PRO A 52 17.845 16.310 1.507 1.00 0.00 H new ATOM 785 N ASP A 53 17.744 17.261 -3.948 1.00 0.00 N ATOM 786 CA ASP A 53 17.563 16.646 -5.251 1.00 0.00 C ATOM 787 C ASP A 53 18.454 15.406 -5.354 1.00 0.00 C ATOM 788 O ASP A 53 17.969 14.309 -5.625 1.00 0.00 O ATOM 789 CB ASP A 53 17.958 17.607 -6.374 1.00 0.00 C ATOM 790 CG ASP A 53 17.981 16.991 -7.774 1.00 0.00 C ATOM 791 OD1 ASP A 53 18.650 15.946 -7.924 1.00 0.00 O ATOM 792 OD2 ASP A 53 17.328 17.579 -8.663 1.00 0.00 O ATOM 0 H ASP A 53 18.069 18.228 -3.974 1.00 0.00 H new ATOM 0 HA ASP A 53 16.510 16.383 -5.356 1.00 0.00 H new ATOM 0 HB2 ASP A 53 17.263 18.447 -6.374 1.00 0.00 H new ATOM 0 HB3 ASP A 53 18.946 18.011 -6.155 1.00 0.00 H new ATOM 797 N HIS A 54 19.742 15.623 -5.132 1.00 0.00 N ATOM 798 CA HIS A 54 20.706 14.537 -5.196 1.00 0.00 C ATOM 799 C HIS A 54 20.133 13.302 -4.499 1.00 0.00 C ATOM 800 O HIS A 54 20.407 12.173 -4.905 1.00 0.00 O ATOM 801 CB HIS A 54 22.054 14.973 -4.618 1.00 0.00 C ATOM 802 CG HIS A 54 22.039 15.194 -3.124 1.00 0.00 C ATOM 803 ND1 HIS A 54 22.131 14.308 -2.091 1.00 0.00 N flip ATOM 804 CD2 HIS A 54 21.918 16.449 -2.554 1.00 0.00 C flip ATOM 805 CE1 HIS A 54 22.071 14.985 -0.951 1.00 0.00 C flip ATOM 806 NE2 HIS A 54 21.938 16.313 -1.236 1.00 0.00 N flip ATOM 0 H HIS A 54 20.141 16.535 -4.908 1.00 0.00 H new ATOM 0 HA HIS A 54 20.892 14.271 -6.236 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.802 14.216 -4.856 1.00 0.00 H new ATOM 0 HB3 HIS A 54 22.367 15.895 -5.108 1.00 0.00 H new ATOM 0 HD2 HIS A 54 21.823 17.381 -3.092 1.00 0.00 H new ATOM 0 HE1 HIS A 54 22.119 14.556 0.039 1.00 0.00 H new ATOM 0 HE2 HIS A 54 21.867 17.068 -0.554 1.00 0.00 H new ATOM 814 N ASN A 55 19.350 13.556 -3.461 1.00 0.00 N ATOM 815 CA ASN A 55 18.737 12.479 -2.704 1.00 0.00 C ATOM 816 C ASN A 55 17.413 12.966 -2.112 1.00 0.00 C ATOM 817 O ASN A 55 17.373 13.440 -0.977 1.00 0.00 O ATOM 818 CB ASN A 55 19.637 12.036 -1.549 1.00 0.00 C ATOM 819 CG ASN A 55 19.267 10.629 -1.074 1.00 0.00 C ATOM 820 OD1 ASN A 55 18.372 10.432 -0.269 1.00 0.00 O ATOM 821 ND2 ASN A 55 20.006 9.664 -1.616 1.00 0.00 N ATOM 0 H ASN A 55 19.126 14.493 -3.126 1.00 0.00 H new ATOM 0 HA ASN A 55 18.579 11.639 -3.381 1.00 0.00 H new ATOM 0 HB2 ASN A 55 20.679 12.054 -1.868 1.00 0.00 H new ATOM 0 HB3 ASN A 55 19.545 12.739 -0.721 1.00 0.00 H new ATOM 0 HD21 ASN A 55 19.838 8.690 -1.363 1.00 0.00 H new ATOM 0 HD22 ASN A 55 20.740 9.898 -2.284 1.00 0.00 H new ATOM 828 N ARG A 56 16.361 12.833 -2.907 1.00 0.00 N ATOM 829 CA ARG A 56 15.039 13.254 -2.476 1.00 0.00 C ATOM 830 C ARG A 56 14.109 12.045 -2.359 1.00 0.00 C ATOM 831 O ARG A 56 14.482 10.932 -2.725 1.00 0.00 O ATOM 832 CB ARG A 56 14.434 14.261 -3.456 1.00 0.00 C ATOM 833 CG ARG A 56 14.160 13.608 -4.813 1.00 0.00 C ATOM 834 CD ARG A 56 13.424 14.572 -5.746 1.00 0.00 C ATOM 835 NE ARG A 56 14.356 15.096 -6.769 1.00 0.00 N ATOM 836 CZ ARG A 56 14.750 14.409 -7.850 1.00 0.00 C ATOM 837 NH1 ARG A 56 14.295 13.165 -8.055 1.00 0.00 N ATOM 838 NH2 ARG A 56 15.598 14.965 -8.725 1.00 0.00 N ATOM 0 H ARG A 56 16.398 12.440 -3.847 1.00 0.00 H new ATOM 0 HA ARG A 56 15.145 13.731 -1.502 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.506 14.660 -3.046 1.00 0.00 H new ATOM 0 HB3 ARG A 56 15.114 15.103 -3.584 1.00 0.00 H new ATOM 0 HG2 ARG A 56 15.101 13.301 -5.270 1.00 0.00 H new ATOM 0 HG3 ARG A 56 13.565 12.706 -4.673 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.592 14.060 -6.229 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.001 15.396 -5.171 1.00 0.00 H new ATOM 0 HE ARG A 56 14.722 16.040 -6.643 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.649 12.742 -7.388 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.594 12.642 -8.878 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.944 15.912 -8.569 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.898 14.442 -9.548 1.00 0.00 H new ATOM 852 N SER A 57 12.915 12.305 -1.846 1.00 0.00 N ATOM 853 CA SER A 57 11.928 11.252 -1.676 1.00 0.00 C ATOM 854 C SER A 57 10.522 11.853 -1.638 1.00 0.00 C ATOM 855 O SER A 57 10.259 12.777 -0.869 1.00 0.00 O ATOM 856 CB SER A 57 12.196 10.447 -0.403 1.00 0.00 C ATOM 857 OG SER A 57 13.568 10.493 -0.021 1.00 0.00 O ATOM 0 H SER A 57 12.609 13.229 -1.543 1.00 0.00 H new ATOM 0 HA SER A 57 12.002 10.573 -2.526 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.581 10.836 0.408 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.898 9.410 -0.560 1.00 0.00 H new ATOM 0 HG SER A 57 13.698 9.968 0.797 1.00 0.00 H new ATOM 863 N PHE A 58 9.655 11.305 -2.477 1.00 0.00 N ATOM 864 CA PHE A 58 8.283 11.776 -2.548 1.00 0.00 C ATOM 865 C PHE A 58 7.388 11.006 -1.574 1.00 0.00 C ATOM 866 O PHE A 58 7.195 9.801 -1.723 1.00 0.00 O ATOM 867 CB PHE A 58 7.797 11.523 -3.977 1.00 0.00 C ATOM 868 CG PHE A 58 8.366 12.498 -5.009 1.00 0.00 C ATOM 869 CD1 PHE A 58 9.563 12.239 -5.602 1.00 0.00 C ATOM 870 CD2 PHE A 58 7.676 13.624 -5.334 1.00 0.00 C ATOM 871 CE1 PHE A 58 10.091 13.145 -6.560 1.00 0.00 C ATOM 872 CE2 PHE A 58 8.205 14.530 -6.292 1.00 0.00 C ATOM 873 CZ PHE A 58 9.401 14.271 -6.885 1.00 0.00 C ATOM 0 H PHE A 58 9.877 10.539 -3.113 1.00 0.00 H new ATOM 0 HA PHE A 58 8.238 12.832 -2.284 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.064 10.507 -4.266 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.709 11.584 -3.996 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.111 11.345 -5.344 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.726 13.829 -4.864 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.041 12.940 -7.031 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.657 15.424 -6.549 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.803 14.959 -7.614 1.00 0.00 H new ATOM 883 N ILE A 59 6.864 11.736 -0.600 1.00 0.00 N ATOM 884 CA ILE A 59 5.994 11.137 0.398 1.00 0.00 C ATOM 885 C ILE A 59 4.588 10.982 -0.185 1.00 0.00 C ATOM 886 O ILE A 59 3.849 11.958 -0.300 1.00 0.00 O ATOM 887 CB ILE A 59 6.035 11.943 1.698 1.00 0.00 C ATOM 888 CG1 ILE A 59 7.251 11.557 2.544 1.00 0.00 C ATOM 889 CG2 ILE A 59 4.726 11.796 2.476 1.00 0.00 C ATOM 890 CD1 ILE A 59 7.746 12.749 3.366 1.00 0.00 C ATOM 0 H ILE A 59 7.025 12.736 -0.481 1.00 0.00 H new ATOM 0 HA ILE A 59 6.344 10.138 0.658 1.00 0.00 H new ATOM 0 HB ILE A 59 6.141 12.997 1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.989 10.735 3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.051 11.200 1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.782 12.379 3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.898 12.158 1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.564 10.746 2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.610 12.449 3.958 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.030 13.561 2.696 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.951 13.088 4.030 1.00 0.00 H new ATOM 902 N ALA A 60 4.261 9.747 -0.537 1.00 0.00 N ATOM 903 CA ALA A 60 2.957 9.452 -1.105 1.00 0.00 C ATOM 904 C ALA A 60 1.973 9.138 0.024 1.00 0.00 C ATOM 905 O ALA A 60 2.076 8.097 0.671 1.00 0.00 O ATOM 906 CB ALA A 60 3.084 8.300 -2.104 1.00 0.00 C ATOM 0 H ALA A 60 4.877 8.940 -0.440 1.00 0.00 H new ATOM 0 HA ALA A 60 2.571 10.314 -1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.106 8.079 -2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.771 8.584 -2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.466 7.416 -1.593 1.00 0.00 H new ATOM 912 N GLU A 61 1.041 10.058 0.226 1.00 0.00 N ATOM 913 CA GLU A 61 0.039 9.893 1.265 1.00 0.00 C ATOM 914 C GLU A 61 -1.354 9.768 0.645 1.00 0.00 C ATOM 915 O GLU A 61 -1.592 10.256 -0.459 1.00 0.00 O ATOM 916 CB GLU A 61 0.092 11.049 2.266 1.00 0.00 C ATOM 917 CG GLU A 61 -0.446 12.338 1.643 1.00 0.00 C ATOM 918 CD GLU A 61 -1.974 12.313 1.563 1.00 0.00 C ATOM 919 OE1 GLU A 61 -2.599 12.310 2.645 1.00 0.00 O ATOM 920 OE2 GLU A 61 -2.482 12.297 0.421 1.00 0.00 O ATOM 0 H GLU A 61 0.959 10.920 -0.313 1.00 0.00 H new ATOM 0 HA GLU A 61 0.256 8.974 1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.493 10.796 3.150 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.119 11.202 2.597 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.123 13.194 2.235 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.028 12.465 0.644 1.00 0.00 H new ATOM 927 N MET A 62 -2.238 9.111 1.382 1.00 0.00 N ATOM 928 CA MET A 62 -3.601 8.916 0.918 1.00 0.00 C ATOM 929 C MET A 62 -4.553 8.688 2.093 1.00 0.00 C ATOM 930 O MET A 62 -4.203 8.009 3.058 1.00 0.00 O ATOM 931 CB MET A 62 -3.653 7.709 -0.022 1.00 0.00 C ATOM 932 CG MET A 62 -5.098 7.296 -0.305 1.00 0.00 C ATOM 933 SD MET A 62 -5.135 6.013 -1.545 1.00 0.00 S ATOM 934 CE MET A 62 -5.392 7.003 -3.008 1.00 0.00 C ATOM 0 H MET A 62 -2.037 8.707 2.297 1.00 0.00 H new ATOM 0 HA MET A 62 -3.916 9.815 0.388 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.150 7.951 -0.958 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.113 6.873 0.423 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.569 6.941 0.611 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.671 8.158 -0.645 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.686 6.359 -3.836 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.179 7.733 -2.819 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.468 7.522 -3.263 1.00 0.00 H new ATOM 944 N THR A 63 -5.738 9.269 1.975 1.00 0.00 N ATOM 945 CA THR A 63 -6.743 9.138 3.016 1.00 0.00 C ATOM 946 C THR A 63 -8.097 8.765 2.407 1.00 0.00 C ATOM 947 O THR A 63 -8.488 9.309 1.376 1.00 0.00 O ATOM 948 CB THR A 63 -6.774 10.445 3.811 1.00 0.00 C ATOM 949 OG1 THR A 63 -5.406 10.697 4.118 1.00 0.00 O ATOM 950 CG2 THR A 63 -7.439 10.282 5.179 1.00 0.00 C ATOM 0 H THR A 63 -6.025 9.832 1.174 1.00 0.00 H new ATOM 0 HA THR A 63 -6.497 8.328 3.703 1.00 0.00 H new ATOM 0 HB THR A 63 -7.304 11.206 3.238 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.172 10.252 4.959 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.435 11.238 5.702 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.467 9.946 5.046 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.889 9.546 5.765 1.00 0.00 H new ATOM 958 N ILE A 64 -8.773 7.839 3.071 1.00 0.00 N ATOM 959 CA ILE A 64 -10.075 7.388 2.608 1.00 0.00 C ATOM 960 C ILE A 64 -11.016 7.244 3.806 1.00 0.00 C ATOM 961 O ILE A 64 -10.570 6.991 4.923 1.00 0.00 O ATOM 962 CB ILE A 64 -9.934 6.109 1.780 1.00 0.00 C ATOM 963 CG1 ILE A 64 -8.879 5.179 2.382 1.00 0.00 C ATOM 964 CG2 ILE A 64 -9.642 6.434 0.314 1.00 0.00 C ATOM 965 CD1 ILE A 64 -9.029 3.756 1.840 1.00 0.00 C ATOM 0 H ILE A 64 -8.444 7.389 3.925 1.00 0.00 H new ATOM 0 HA ILE A 64 -10.519 8.126 1.940 1.00 0.00 H new ATOM 0 HB ILE A 64 -10.885 5.578 1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.883 5.556 2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.974 5.170 3.468 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.546 5.507 -0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.459 7.028 -0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.712 6.999 0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.267 3.115 2.284 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -10.018 3.373 2.093 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.909 3.765 0.757 1.00 0.00 H new ATOM 977 N TYR A 65 -12.301 7.413 3.531 1.00 0.00 N ATOM 978 CA TYR A 65 -13.309 7.306 4.572 1.00 0.00 C ATOM 979 C TYR A 65 -14.246 6.126 4.308 1.00 0.00 C ATOM 980 O TYR A 65 -14.677 5.912 3.176 1.00 0.00 O ATOM 981 CB TYR A 65 -14.115 8.605 4.514 1.00 0.00 C ATOM 982 CG TYR A 65 -15.378 8.593 5.378 1.00 0.00 C ATOM 983 CD1 TYR A 65 -16.513 7.947 4.932 1.00 0.00 C ATOM 984 CD2 TYR A 65 -15.381 9.228 6.604 1.00 0.00 C ATOM 985 CE1 TYR A 65 -17.701 7.936 5.745 1.00 0.00 C ATOM 986 CE2 TYR A 65 -16.570 9.217 7.417 1.00 0.00 C ATOM 987 CZ TYR A 65 -17.671 8.572 6.947 1.00 0.00 C ATOM 988 OH TYR A 65 -18.794 8.561 7.715 1.00 0.00 O ATOM 0 H TYR A 65 -12.667 7.623 2.602 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.842 7.147 5.544 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.478 9.430 4.832 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.397 8.800 3.479 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.510 7.450 3.973 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -14.492 9.733 6.953 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -18.596 7.434 5.408 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.587 9.710 8.378 1.00 0.00 H new ATOM 0 HH TYR A 65 -18.627 9.053 8.546 1.00 0.00 H new ATOM 998 N ILE A 66 -14.535 5.391 5.373 1.00 0.00 N ATOM 999 CA ILE A 66 -15.413 4.239 5.270 1.00 0.00 C ATOM 1000 C ILE A 66 -16.732 4.543 5.983 1.00 0.00 C ATOM 1001 O ILE A 66 -16.752 4.764 7.193 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.711 2.982 5.787 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -13.285 2.886 5.240 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.530 1.728 5.476 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -13.278 2.972 3.712 1.00 0.00 C ATOM 0 H ILE A 66 -14.176 5.572 6.311 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.653 4.036 4.226 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.636 3.055 6.872 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -12.677 3.689 5.656 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.832 1.947 5.557 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.008 0.849 5.854 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.507 1.804 5.954 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -15.660 1.636 4.398 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.253 2.901 3.348 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -13.867 2.153 3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -13.709 3.923 3.399 1.00 0.00 H new ATOM 1017 N LYS A 67 -17.803 4.545 5.203 1.00 0.00 N ATOM 1018 CA LYS A 67 -19.123 4.819 5.744 1.00 0.00 C ATOM 1019 C LYS A 67 -19.625 3.587 6.500 1.00 0.00 C ATOM 1020 O LYS A 67 -20.252 3.712 7.551 1.00 0.00 O ATOM 1021 CB LYS A 67 -20.070 5.289 4.638 1.00 0.00 C ATOM 1022 CG LYS A 67 -20.097 4.291 3.479 1.00 0.00 C ATOM 1023 CD LYS A 67 -19.760 4.979 2.154 1.00 0.00 C ATOM 1024 CE LYS A 67 -20.764 4.595 1.066 1.00 0.00 C ATOM 1025 NZ LYS A 67 -20.487 5.342 -0.182 1.00 0.00 N ATOM 0 H LYS A 67 -17.783 4.361 4.200 1.00 0.00 H new ATOM 0 HA LYS A 67 -19.077 5.638 6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -21.075 5.410 5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -19.753 6.266 4.274 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -19.383 3.489 3.668 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -21.083 3.831 3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.762 6.060 2.291 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.754 4.700 1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -20.710 3.523 0.875 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -21.777 4.807 1.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -21.178 5.070 -0.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -20.561 6.363 0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -19.527 5.119 -0.514 1.00 0.00 H new ATOM 1039 N GLN A 68 -19.331 2.425 5.935 1.00 0.00 N ATOM 1040 CA GLN A 68 -19.745 1.172 6.542 1.00 0.00 C ATOM 1041 C GLN A 68 -19.109 1.017 7.926 1.00 0.00 C ATOM 1042 O GLN A 68 -19.570 0.216 8.738 1.00 0.00 O ATOM 1043 CB GLN A 68 -19.395 -0.015 5.642 1.00 0.00 C ATOM 1044 CG GLN A 68 -17.897 -0.049 5.336 1.00 0.00 C ATOM 1045 CD GLN A 68 -17.530 -1.295 4.528 1.00 0.00 C ATOM 1046 OE1 GLN A 68 -17.574 -1.311 3.309 1.00 0.00 O ATOM 1047 NE2 GLN A 68 -17.166 -2.335 5.273 1.00 0.00 N ATOM 0 H GLN A 68 -18.811 2.325 5.063 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.828 1.189 6.661 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.691 -0.944 6.128 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.958 0.051 4.711 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.616 0.845 4.780 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.332 -0.036 6.268 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.151 -2.254 6.290 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.902 -3.214 4.828 1.00 0.00 H new ATOM 1056 N LEU A 69 -18.061 1.796 8.151 1.00 0.00 N ATOM 1057 CA LEU A 69 -17.358 1.755 9.422 1.00 0.00 C ATOM 1058 C LEU A 69 -17.736 2.986 10.248 1.00 0.00 C ATOM 1059 O LEU A 69 -17.885 2.898 11.466 1.00 0.00 O ATOM 1060 CB LEU A 69 -15.852 1.604 9.196 1.00 0.00 C ATOM 1061 CG LEU A 69 -15.399 0.293 8.551 1.00 0.00 C ATOM 1062 CD1 LEU A 69 -13.941 -0.014 8.899 1.00 0.00 C ATOM 1063 CD2 LEU A 69 -16.333 -0.857 8.932 1.00 0.00 C ATOM 0 H LEU A 69 -17.682 2.459 7.475 1.00 0.00 H new ATOM 0 HA LEU A 69 -17.660 0.880 9.997 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -15.514 2.430 8.570 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.348 1.706 10.157 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.455 0.408 7.469 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.644 -0.951 8.428 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.303 0.792 8.537 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.836 -0.102 9.980 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.988 -1.777 8.460 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.333 -0.982 10.015 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -17.344 -0.632 8.593 1.00 0.00 H new ATOM 1075 N GLY A 70 -17.879 4.105 9.553 1.00 0.00 N ATOM 1076 CA GLY A 70 -18.237 5.352 10.207 1.00 0.00 C ATOM 1077 C GLY A 70 -16.990 6.175 10.537 1.00 0.00 C ATOM 1078 O GLY A 70 -17.068 7.162 11.267 1.00 0.00 O ATOM 0 H GLY A 70 -17.753 4.174 8.543 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.898 5.929 9.560 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.791 5.141 11.122 1.00 0.00 H new ATOM 1082 N ARG A 71 -15.868 5.739 9.982 1.00 0.00 N ATOM 1083 CA ARG A 71 -14.607 6.423 10.208 1.00 0.00 C ATOM 1084 C ARG A 71 -13.807 6.505 8.906 1.00 0.00 C ATOM 1085 O ARG A 71 -14.317 6.170 7.838 1.00 0.00 O ATOM 1086 CB ARG A 71 -13.771 5.702 11.267 1.00 0.00 C ATOM 1087 CG ARG A 71 -13.282 4.347 10.751 1.00 0.00 C ATOM 1088 CD ARG A 71 -12.554 3.572 11.851 1.00 0.00 C ATOM 1089 NE ARG A 71 -11.099 3.557 11.581 1.00 0.00 N ATOM 1090 CZ ARG A 71 -10.169 3.242 12.493 1.00 0.00 C ATOM 1091 NH1 ARG A 71 -10.536 2.915 13.739 1.00 0.00 N ATOM 1092 NH2 ARG A 71 -8.871 3.255 12.159 1.00 0.00 N ATOM 0 H ARG A 71 -15.807 4.920 9.376 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.834 7.428 10.563 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.917 6.320 11.543 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.366 5.558 12.169 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -14.129 3.764 10.390 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -12.614 4.496 9.903 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -12.748 4.032 12.820 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -12.934 2.551 11.901 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.784 3.802 10.642 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.524 2.906 13.994 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.828 2.675 14.433 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.591 3.505 11.211 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.163 3.015 12.853 1.00 0.00 H new ATOM 1106 N ARG A 72 -12.567 6.952 9.038 1.00 0.00 N ATOM 1107 CA ARG A 72 -11.692 7.082 7.885 1.00 0.00 C ATOM 1108 C ARG A 72 -10.249 6.756 8.274 1.00 0.00 C ATOM 1109 O ARG A 72 -9.837 7.001 9.407 1.00 0.00 O ATOM 1110 CB ARG A 72 -11.749 8.498 7.307 1.00 0.00 C ATOM 1111 CG ARG A 72 -11.608 9.547 8.412 1.00 0.00 C ATOM 1112 CD ARG A 72 -10.377 10.426 8.180 1.00 0.00 C ATOM 1113 NE ARG A 72 -10.728 11.850 8.377 1.00 0.00 N ATOM 1114 CZ ARG A 72 -9.829 12.839 8.477 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -8.519 12.564 8.398 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -10.238 14.102 8.655 1.00 0.00 N ATOM 0 H ARG A 72 -12.147 7.229 9.926 1.00 0.00 H new ATOM 0 HA ARG A 72 -12.036 6.378 7.127 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.953 8.628 6.574 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.693 8.643 6.782 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.503 10.169 8.444 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.529 9.052 9.380 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.581 10.141 8.868 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.996 10.273 7.170 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.716 12.094 8.441 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.207 11.602 8.262 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.834 13.316 8.474 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.234 14.312 8.715 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.553 14.854 8.731 1.00 0.00 H new ATOM 1130 N ILE A 73 -9.520 6.207 7.314 1.00 0.00 N ATOM 1131 CA ILE A 73 -8.132 5.844 7.542 1.00 0.00 C ATOM 1132 C ILE A 73 -7.228 6.739 6.692 1.00 0.00 C ATOM 1133 O ILE A 73 -7.642 7.226 5.641 1.00 0.00 O ATOM 1134 CB ILE A 73 -7.922 4.348 7.296 1.00 0.00 C ATOM 1135 CG1 ILE A 73 -8.404 3.949 5.900 1.00 0.00 C ATOM 1136 CG2 ILE A 73 -8.586 3.513 8.393 1.00 0.00 C ATOM 1137 CD1 ILE A 73 -7.904 2.552 5.526 1.00 0.00 C ATOM 0 H ILE A 73 -9.865 6.005 6.376 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.861 6.014 8.584 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.853 4.142 7.338 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.493 3.970 5.868 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.049 4.674 5.168 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.422 2.454 8.194 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.154 3.772 9.359 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.657 3.717 8.408 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.261 2.293 4.529 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.814 2.541 5.536 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.281 1.826 6.246 1.00 0.00 H new ATOM 1149 N PHE A 74 -6.011 6.931 7.179 1.00 0.00 N ATOM 1150 CA PHE A 74 -5.046 7.760 6.478 1.00 0.00 C ATOM 1151 C PHE A 74 -3.702 7.042 6.344 1.00 0.00 C ATOM 1152 O PHE A 74 -3.361 6.195 7.169 1.00 0.00 O ATOM 1153 CB PHE A 74 -4.853 9.026 7.314 1.00 0.00 C ATOM 1154 CG PHE A 74 -3.577 9.802 6.982 1.00 0.00 C ATOM 1155 CD1 PHE A 74 -2.363 9.291 7.321 1.00 0.00 C ATOM 1156 CD2 PHE A 74 -3.656 11.003 6.348 1.00 0.00 C ATOM 1157 CE1 PHE A 74 -1.178 10.011 7.014 1.00 0.00 C ATOM 1158 CE2 PHE A 74 -2.471 11.723 6.041 1.00 0.00 C ATOM 1159 CZ PHE A 74 -1.257 11.212 6.380 1.00 0.00 C ATOM 0 H PHE A 74 -5.671 6.526 8.051 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.409 7.986 5.475 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.712 9.680 7.168 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.836 8.753 8.369 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.300 8.337 7.824 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.620 11.409 6.078 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.214 9.605 7.284 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.534 12.677 5.538 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.356 11.760 6.146 1.00 0.00 H new ATOM 1169 N ALA A 75 -2.974 7.406 5.298 1.00 0.00 N ATOM 1170 CA ALA A 75 -1.675 6.807 5.045 1.00 0.00 C ATOM 1171 C ALA A 75 -0.682 7.901 4.648 1.00 0.00 C ATOM 1172 O ALA A 75 -1.084 8.995 4.254 1.00 0.00 O ATOM 1173 CB ALA A 75 -1.811 5.726 3.971 1.00 0.00 C ATOM 0 H ALA A 75 -3.260 8.109 4.616 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.293 6.326 5.945 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.836 5.277 3.781 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.504 4.958 4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.190 6.172 3.052 1.00 0.00 H new ATOM 1179 N ARG A 76 0.595 7.568 4.765 1.00 0.00 N ATOM 1180 CA ARG A 76 1.648 8.509 4.424 1.00 0.00 C ATOM 1181 C ARG A 76 3.019 7.843 4.557 1.00 0.00 C ATOM 1182 O ARG A 76 3.564 7.752 5.656 1.00 0.00 O ATOM 1183 CB ARG A 76 1.598 9.744 5.326 1.00 0.00 C ATOM 1184 CG ARG A 76 2.435 10.884 4.743 1.00 0.00 C ATOM 1185 CD ARG A 76 3.501 11.346 5.739 1.00 0.00 C ATOM 1186 NE ARG A 76 3.506 12.824 5.825 1.00 0.00 N ATOM 1187 CZ ARG A 76 4.366 13.530 6.572 1.00 0.00 C ATOM 1188 NH1 ARG A 76 5.295 12.898 7.301 1.00 0.00 N ATOM 1189 NH2 ARG A 76 4.297 14.868 6.589 1.00 0.00 N ATOM 0 H ARG A 76 0.924 6.659 5.091 1.00 0.00 H new ATOM 0 HA ARG A 76 1.491 8.822 3.392 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.565 10.071 5.444 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.967 9.488 6.319 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.913 10.554 3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.786 11.721 4.485 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.303 10.917 6.721 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.482 10.988 5.427 1.00 0.00 H new ATOM 0 HE ARG A 76 2.812 13.337 5.282 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.348 11.879 7.288 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.950 13.435 7.870 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.590 15.349 6.033 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.952 15.405 7.158 1.00 0.00 H new ATOM 1203 N GLU A 77 3.537 7.396 3.423 1.00 0.00 N ATOM 1204 CA GLU A 77 4.834 6.741 3.400 1.00 0.00 C ATOM 1205 C GLU A 77 5.849 7.600 2.643 1.00 0.00 C ATOM 1206 O GLU A 77 5.476 8.561 1.972 1.00 0.00 O ATOM 1207 CB GLU A 77 4.732 5.344 2.785 1.00 0.00 C ATOM 1208 CG GLU A 77 3.932 4.403 3.689 1.00 0.00 C ATOM 1209 CD GLU A 77 4.809 3.846 4.812 1.00 0.00 C ATOM 1210 OE1 GLU A 77 5.636 2.962 4.501 1.00 0.00 O ATOM 1211 OE2 GLU A 77 4.633 4.317 5.957 1.00 0.00 O ATOM 0 H GLU A 77 3.082 7.474 2.513 1.00 0.00 H new ATOM 0 HA GLU A 77 5.179 6.626 4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.255 5.407 1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.731 4.939 2.626 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.083 4.937 4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.527 3.582 3.098 1.00 0.00 H new ATOM 1218 N HIS A 78 7.112 7.223 2.777 1.00 0.00 N ATOM 1219 CA HIS A 78 8.183 7.947 2.114 1.00 0.00 C ATOM 1220 C HIS A 78 8.974 6.989 1.220 1.00 0.00 C ATOM 1221 O HIS A 78 10.167 6.779 1.432 1.00 0.00 O ATOM 1222 CB HIS A 78 9.065 8.668 3.136 1.00 0.00 C ATOM 1223 CG HIS A 78 9.140 7.978 4.477 1.00 0.00 C ATOM 1224 ND1 HIS A 78 9.842 6.802 4.677 1.00 0.00 N ATOM 1225 CD2 HIS A 78 8.596 8.312 5.682 1.00 0.00 C ATOM 1226 CE1 HIS A 78 9.718 6.452 5.949 1.00 0.00 C ATOM 1227 NE2 HIS A 78 8.945 7.389 6.570 1.00 0.00 N ATOM 0 H HIS A 78 7.418 6.426 3.335 1.00 0.00 H new ATOM 0 HA HIS A 78 7.761 8.722 1.474 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.072 8.761 2.730 1.00 0.00 H new ATOM 0 HB3 HIS A 78 8.685 9.679 3.280 1.00 0.00 H new ATOM 0 HD2 HIS A 78 7.985 9.180 5.880 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.152 5.579 6.413 1.00 0.00 H new ATOM 0 HE2 HIS A 78 8.679 7.382 7.555 1.00 0.00 H new ATOM 1235 N GLY A 79 8.276 6.434 0.240 1.00 0.00 N ATOM 1236 CA GLY A 79 8.898 5.503 -0.687 1.00 0.00 C ATOM 1237 C GLY A 79 9.982 6.196 -1.514 1.00 0.00 C ATOM 1238 O GLY A 79 10.182 7.404 -1.396 1.00 0.00 O ATOM 0 H GLY A 79 7.286 6.611 0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.333 4.670 -0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 79 8.141 5.084 -1.350 1.00 0.00 H new ATOM 1242 N SER A 80 10.655 5.401 -2.334 1.00 0.00 N ATOM 1243 CA SER A 80 11.714 5.922 -3.180 1.00 0.00 C ATOM 1244 C SER A 80 11.112 6.698 -4.354 1.00 0.00 C ATOM 1245 O SER A 80 11.331 7.901 -4.485 1.00 0.00 O ATOM 1246 CB SER A 80 12.613 4.796 -3.695 1.00 0.00 C ATOM 1247 OG SER A 80 13.452 5.228 -4.763 1.00 0.00 O ATOM 0 H SER A 80 10.487 4.400 -2.430 1.00 0.00 H new ATOM 0 HA SER A 80 12.328 6.596 -2.582 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.230 4.422 -2.878 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.995 3.965 -4.033 1.00 0.00 H new ATOM 0 HG SER A 80 14.011 4.481 -5.062 1.00 0.00 H new ATOM 1253 N ASN A 81 10.364 5.978 -5.176 1.00 0.00 N ATOM 1254 CA ASN A 81 9.728 6.583 -6.334 1.00 0.00 C ATOM 1255 C ASN A 81 8.218 6.655 -6.102 1.00 0.00 C ATOM 1256 O ASN A 81 7.675 5.912 -5.285 1.00 0.00 O ATOM 1257 CB ASN A 81 9.973 5.752 -7.595 1.00 0.00 C ATOM 1258 CG ASN A 81 9.528 4.303 -7.392 1.00 0.00 C ATOM 1259 OD1 ASN A 81 8.354 4.000 -7.257 1.00 0.00 O ATOM 1260 ND2 ASN A 81 10.529 3.427 -7.376 1.00 0.00 N ATOM 0 H ASN A 81 10.184 4.980 -5.063 1.00 0.00 H new ATOM 0 HA ASN A 81 10.153 7.578 -6.470 1.00 0.00 H new ATOM 0 HB2 ASN A 81 9.431 6.189 -8.434 1.00 0.00 H new ATOM 0 HB3 ASN A 81 11.032 5.778 -7.852 1.00 0.00 H new ATOM 0 HD21 ASN A 81 10.336 2.434 -7.245 1.00 0.00 H new ATOM 0 HD22 ASN A 81 11.490 3.748 -7.495 1.00 0.00 H new ATOM 1267 N LYS A 82 7.581 7.557 -6.835 1.00 0.00 N ATOM 1268 CA LYS A 82 6.143 7.735 -6.719 1.00 0.00 C ATOM 1269 C LYS A 82 5.475 6.368 -6.566 1.00 0.00 C ATOM 1270 O LYS A 82 4.755 6.130 -5.597 1.00 0.00 O ATOM 1271 CB LYS A 82 5.608 8.553 -7.897 1.00 0.00 C ATOM 1272 CG LYS A 82 5.772 10.053 -7.642 1.00 0.00 C ATOM 1273 CD LYS A 82 4.954 10.871 -8.642 1.00 0.00 C ATOM 1274 CE LYS A 82 4.764 12.308 -8.151 1.00 0.00 C ATOM 1275 NZ LYS A 82 5.706 13.219 -8.837 1.00 0.00 N ATOM 0 H LYS A 82 8.034 8.172 -7.511 1.00 0.00 H new ATOM 0 HA LYS A 82 5.901 8.310 -5.825 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.138 8.275 -8.808 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.555 8.321 -8.057 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.454 10.290 -6.627 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.825 10.326 -7.718 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.456 10.877 -9.609 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.981 10.402 -8.791 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.739 12.629 -8.336 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.923 12.354 -7.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.564 14.190 -8.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.683 12.921 -8.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.535 13.187 -9.862 1.00 0.00 H new ATOM 1289 N LYS A 83 5.736 5.505 -7.537 1.00 0.00 N ATOM 1290 CA LYS A 83 5.168 4.167 -7.522 1.00 0.00 C ATOM 1291 C LYS A 83 5.273 3.589 -6.109 1.00 0.00 C ATOM 1292 O LYS A 83 4.272 3.482 -5.403 1.00 0.00 O ATOM 1293 CB LYS A 83 5.824 3.295 -8.594 1.00 0.00 C ATOM 1294 CG LYS A 83 4.785 2.772 -9.587 1.00 0.00 C ATOM 1295 CD LYS A 83 4.618 3.735 -10.764 1.00 0.00 C ATOM 1296 CE LYS A 83 3.261 4.440 -10.708 1.00 0.00 C ATOM 1297 NZ LYS A 83 3.070 5.293 -11.902 1.00 0.00 N ATOM 0 H LYS A 83 6.333 5.706 -8.339 1.00 0.00 H new ATOM 0 HA LYS A 83 4.108 4.200 -7.775 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.581 3.873 -9.125 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.336 2.456 -8.122 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.089 1.792 -9.955 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.828 2.640 -9.082 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.417 4.476 -10.749 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.709 3.187 -11.702 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.462 3.700 -10.651 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.197 5.048 -9.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.144 5.764 -11.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.822 6.011 -11.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.109 4.705 -12.759 1.00 0.00 H new ATOM 1311 N LEU A 84 6.494 3.231 -5.740 1.00 0.00 N ATOM 1312 CA LEU A 84 6.743 2.667 -4.424 1.00 0.00 C ATOM 1313 C LEU A 84 5.928 3.435 -3.382 1.00 0.00 C ATOM 1314 O LEU A 84 4.983 2.896 -2.807 1.00 0.00 O ATOM 1315 CB LEU A 84 8.244 2.636 -4.130 1.00 0.00 C ATOM 1316 CG LEU A 84 9.026 1.477 -4.753 1.00 0.00 C ATOM 1317 CD1 LEU A 84 10.517 1.585 -4.429 1.00 0.00 C ATOM 1318 CD2 LEU A 84 8.442 0.129 -4.324 1.00 0.00 C ATOM 0 H LEU A 84 7.322 3.320 -6.329 1.00 0.00 H new ATOM 0 HA LEU A 84 6.412 1.629 -4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.682 3.572 -4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.382 2.602 -3.049 1.00 0.00 H new ATOM 0 HG LEU A 84 8.927 1.541 -5.837 1.00 0.00 H new ATOM 0 HD11 LEU A 84 11.050 0.750 -4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.908 2.523 -4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.657 1.560 -3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.016 -0.678 -4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.491 0.040 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.403 0.063 -4.647 1.00 0.00 H new ATOM 1330 N ALA A 85 6.322 4.682 -3.170 1.00 0.00 N ATOM 1331 CA ALA A 85 5.640 5.529 -2.207 1.00 0.00 C ATOM 1332 C ALA A 85 4.136 5.258 -2.271 1.00 0.00 C ATOM 1333 O ALA A 85 3.463 5.225 -1.242 1.00 0.00 O ATOM 1334 CB ALA A 85 5.981 6.995 -2.485 1.00 0.00 C ATOM 0 H ALA A 85 7.105 5.126 -3.649 1.00 0.00 H new ATOM 0 HA ALA A 85 5.973 5.303 -1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.469 7.631 -1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.058 7.141 -2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.659 7.259 -3.492 1.00 0.00 H new ATOM 1340 N ALA A 86 3.652 5.072 -3.491 1.00 0.00 N ATOM 1341 CA ALA A 86 2.240 4.805 -3.703 1.00 0.00 C ATOM 1342 C ALA A 86 1.886 3.445 -3.098 1.00 0.00 C ATOM 1343 O ALA A 86 1.024 3.355 -2.226 1.00 0.00 O ATOM 1344 CB ALA A 86 1.925 4.878 -5.199 1.00 0.00 C ATOM 0 H ALA A 86 4.213 5.101 -4.342 1.00 0.00 H new ATOM 0 HA ALA A 86 1.628 5.557 -3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.865 4.678 -5.358 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.166 5.873 -5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.519 4.136 -5.732 1.00 0.00 H new ATOM 1350 N GLN A 87 2.569 2.420 -3.587 1.00 0.00 N ATOM 1351 CA GLN A 87 2.338 1.069 -3.105 1.00 0.00 C ATOM 1352 C GLN A 87 2.314 1.047 -1.576 1.00 0.00 C ATOM 1353 O GLN A 87 1.389 0.503 -0.973 1.00 0.00 O ATOM 1354 CB GLN A 87 3.392 0.104 -3.651 1.00 0.00 C ATOM 1355 CG GLN A 87 2.859 -0.664 -4.862 1.00 0.00 C ATOM 1356 CD GLN A 87 3.996 -1.350 -5.621 1.00 0.00 C ATOM 1357 OE1 GLN A 87 4.243 -2.537 -5.481 1.00 0.00 O ATOM 1358 NE2 GLN A 87 4.673 -0.540 -6.430 1.00 0.00 N ATOM 0 H GLN A 87 3.282 2.498 -4.312 1.00 0.00 H new ATOM 0 HA GLN A 87 1.366 0.736 -3.468 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.287 0.659 -3.933 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.686 -0.599 -2.871 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.134 -1.409 -4.534 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.333 0.020 -5.528 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.414 0.444 -6.500 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.451 -0.903 -6.980 1.00 0.00 H new ATOM 1367 N SER A 88 3.342 1.644 -0.991 1.00 0.00 N ATOM 1368 CA SER A 88 3.451 1.700 0.457 1.00 0.00 C ATOM 1369 C SER A 88 2.175 2.297 1.055 1.00 0.00 C ATOM 1370 O SER A 88 1.646 1.780 2.038 1.00 0.00 O ATOM 1371 CB SER A 88 4.671 2.518 0.886 1.00 0.00 C ATOM 1372 OG SER A 88 5.441 1.846 1.879 1.00 0.00 O ATOM 0 H SER A 88 4.107 2.093 -1.494 1.00 0.00 H new ATOM 0 HA SER A 88 3.579 0.684 0.830 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.297 2.719 0.016 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.343 3.483 1.273 1.00 0.00 H new ATOM 0 HG SER A 88 5.409 2.354 2.717 1.00 0.00 H new ATOM 1378 N CYS A 89 1.717 3.375 0.436 1.00 0.00 N ATOM 1379 CA CYS A 89 0.514 4.047 0.895 1.00 0.00 C ATOM 1380 C CYS A 89 -0.666 3.087 0.727 1.00 0.00 C ATOM 1381 O CYS A 89 -1.289 2.686 1.709 1.00 0.00 O ATOM 1382 CB CYS A 89 0.285 5.367 0.155 1.00 0.00 C ATOM 1383 SG CYS A 89 -0.659 6.523 1.214 1.00 0.00 S ATOM 0 H CYS A 89 2.158 3.800 -0.380 1.00 0.00 H new ATOM 0 HA CYS A 89 0.621 4.310 1.947 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.242 5.811 -0.119 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.258 5.184 -0.772 1.00 0.00 H new ATOM 0 HG CYS A 89 0.017 6.770 2.297 1.00 0.00 H new ATOM 1389 N ALA A 90 -0.937 2.747 -0.524 1.00 0.00 N ATOM 1390 CA ALA A 90 -2.031 1.842 -0.834 1.00 0.00 C ATOM 1391 C ALA A 90 -2.062 0.715 0.200 1.00 0.00 C ATOM 1392 O ALA A 90 -3.007 0.610 0.981 1.00 0.00 O ATOM 1393 CB ALA A 90 -1.872 1.318 -2.262 1.00 0.00 C ATOM 0 H ALA A 90 -0.418 3.082 -1.336 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.987 2.364 -0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.693 0.639 -2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.885 2.155 -2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.925 0.786 -2.351 1.00 0.00 H new ATOM 1399 N LEU A 91 -1.018 -0.100 0.173 1.00 0.00 N ATOM 1400 CA LEU A 91 -0.914 -1.215 1.098 1.00 0.00 C ATOM 1401 C LEU A 91 -1.275 -0.739 2.506 1.00 0.00 C ATOM 1402 O LEU A 91 -1.898 -1.472 3.273 1.00 0.00 O ATOM 1403 CB LEU A 91 0.469 -1.863 1.003 1.00 0.00 C ATOM 1404 CG LEU A 91 0.716 -3.056 1.929 1.00 0.00 C ATOM 1405 CD1 LEU A 91 -0.160 -4.246 1.533 1.00 0.00 C ATOM 1406 CD2 LEU A 91 2.201 -3.424 1.965 1.00 0.00 C ATOM 0 H LEU A 91 -0.236 -0.010 -0.476 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.626 -1.997 0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.626 -2.188 -0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.220 -1.102 1.215 1.00 0.00 H new ATOM 0 HG LEU A 91 0.431 -2.768 2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.034 -5.081 2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.210 -3.963 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.071 -4.543 0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.349 -4.275 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.535 -3.686 0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.778 -2.574 2.329 1.00 0.00 H new ATOM 1418 N SER A 92 -0.868 0.486 2.805 1.00 0.00 N ATOM 1419 CA SER A 92 -1.140 1.068 4.108 1.00 0.00 C ATOM 1420 C SER A 92 -2.646 1.060 4.380 1.00 0.00 C ATOM 1421 O SER A 92 -3.087 0.619 5.440 1.00 0.00 O ATOM 1422 CB SER A 92 -0.592 2.494 4.200 1.00 0.00 C ATOM 1423 OG SER A 92 -0.227 2.840 5.533 1.00 0.00 O ATOM 0 H SER A 92 -0.352 1.092 2.167 1.00 0.00 H new ATOM 0 HA SER A 92 -0.637 0.465 4.864 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.277 2.591 3.549 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.343 3.195 3.836 1.00 0.00 H new ATOM 0 HG SER A 92 0.120 3.757 5.550 1.00 0.00 H new ATOM 1429 N LEU A 93 -3.394 1.554 3.404 1.00 0.00 N ATOM 1430 CA LEU A 93 -4.841 1.609 3.524 1.00 0.00 C ATOM 1431 C LEU A 93 -5.408 0.189 3.468 1.00 0.00 C ATOM 1432 O LEU A 93 -6.234 -0.186 4.298 1.00 0.00 O ATOM 1433 CB LEU A 93 -5.431 2.549 2.471 1.00 0.00 C ATOM 1434 CG LEU A 93 -4.938 3.997 2.513 1.00 0.00 C ATOM 1435 CD1 LEU A 93 -4.937 4.535 3.945 1.00 0.00 C ATOM 1436 CD2 LEU A 93 -3.565 4.128 1.851 1.00 0.00 C ATOM 0 H LEU A 93 -3.025 1.920 2.526 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.127 2.029 4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.213 2.140 1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.515 2.552 2.582 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.632 4.611 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.582 5.566 3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.949 4.499 4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.279 3.924 4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.238 5.167 1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.846 3.499 2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.631 3.812 0.810 1.00 0.00 H new ATOM 1448 N VAL A 94 -4.941 -0.561 2.481 1.00 0.00 N ATOM 1449 CA VAL A 94 -5.391 -1.932 2.306 1.00 0.00 C ATOM 1450 C VAL A 94 -5.314 -2.665 3.647 1.00 0.00 C ATOM 1451 O VAL A 94 -6.293 -3.268 4.086 1.00 0.00 O ATOM 1452 CB VAL A 94 -4.576 -2.613 1.205 1.00 0.00 C ATOM 1453 CG1 VAL A 94 -5.102 -4.023 0.926 1.00 0.00 C ATOM 1454 CG2 VAL A 94 -4.566 -1.770 -0.072 1.00 0.00 C ATOM 0 H VAL A 94 -4.256 -0.246 1.794 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.432 -1.954 1.983 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.548 -2.701 1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.505 -4.485 0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.033 -4.623 1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.142 -3.967 0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.980 -2.277 -0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.588 -1.635 -0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.123 -0.796 0.138 1.00 0.00 H new ATOM 1464 N ARG A 95 -4.142 -2.589 4.260 1.00 0.00 N ATOM 1465 CA ARG A 95 -3.925 -3.237 5.542 1.00 0.00 C ATOM 1466 C ARG A 95 -4.979 -2.782 6.553 1.00 0.00 C ATOM 1467 O ARG A 95 -5.631 -3.608 7.191 1.00 0.00 O ATOM 1468 CB ARG A 95 -2.532 -2.921 6.091 1.00 0.00 C ATOM 1469 CG ARG A 95 -1.561 -4.070 5.816 1.00 0.00 C ATOM 1470 CD ARG A 95 -0.267 -3.555 5.182 1.00 0.00 C ATOM 1471 NE ARG A 95 0.837 -3.615 6.166 1.00 0.00 N ATOM 1472 CZ ARG A 95 1.946 -2.866 6.098 1.00 0.00 C ATOM 1473 NH1 ARG A 95 2.105 -1.995 5.093 1.00 0.00 N ATOM 1474 NH2 ARG A 95 2.896 -2.988 7.035 1.00 0.00 N ATOM 0 H ARG A 95 -3.333 -2.089 3.893 1.00 0.00 H new ATOM 0 HA ARG A 95 -4.006 -4.313 5.387 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.156 -2.005 5.634 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.593 -2.740 7.164 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.333 -4.588 6.747 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -2.031 -4.797 5.153 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.018 -4.154 4.306 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.404 -2.530 4.838 1.00 0.00 H new ATOM 0 HE ARG A 95 0.748 -4.268 6.945 1.00 0.00 H new ATOM 0 HH11 ARG A 95 1.382 -1.902 4.380 1.00 0.00 H new ATOM 0 HH12 ARG A 95 2.949 -1.425 5.041 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.775 -3.651 7.800 1.00 0.00 H new ATOM 0 HH22 ARG A 95 3.740 -2.418 6.983 1.00 0.00 H new ATOM 1488 N GLN A 96 -5.115 -1.469 6.667 1.00 0.00 N ATOM 1489 CA GLN A 96 -6.079 -0.894 7.590 1.00 0.00 C ATOM 1490 C GLN A 96 -7.488 -1.397 7.267 1.00 0.00 C ATOM 1491 O GLN A 96 -8.238 -1.770 8.167 1.00 0.00 O ATOM 1492 CB GLN A 96 -6.023 0.635 7.559 1.00 0.00 C ATOM 1493 CG GLN A 96 -5.141 1.174 8.688 1.00 0.00 C ATOM 1494 CD GLN A 96 -4.765 2.636 8.439 1.00 0.00 C ATOM 1495 OE1 GLN A 96 -4.979 3.508 9.265 1.00 0.00 O ATOM 1496 NE2 GLN A 96 -4.193 2.854 7.258 1.00 0.00 N ATOM 0 H GLN A 96 -4.574 -0.787 6.136 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.822 -1.214 8.600 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.633 0.969 6.597 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.030 1.041 7.654 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.667 1.087 9.639 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.237 0.571 8.768 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.043 2.078 6.613 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.904 3.797 6.997 1.00 0.00 H new ATOM 1505 N LEU A 97 -7.804 -1.391 5.981 1.00 0.00 N ATOM 1506 CA LEU A 97 -9.109 -1.842 5.528 1.00 0.00 C ATOM 1507 C LEU A 97 -9.360 -3.260 6.044 1.00 0.00 C ATOM 1508 O LEU A 97 -10.338 -3.504 6.749 1.00 0.00 O ATOM 1509 CB LEU A 97 -9.224 -1.711 4.008 1.00 0.00 C ATOM 1510 CG LEU A 97 -9.299 -0.284 3.462 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -8.900 -0.240 1.986 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -10.684 0.321 3.699 1.00 0.00 C ATOM 0 H LEU A 97 -7.179 -1.081 5.237 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.895 -1.208 5.939 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.366 -2.208 3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.114 -2.251 3.683 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.582 0.329 4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.962 0.786 1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.878 -0.603 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.575 -0.871 1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.711 1.336 3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.437 -0.286 3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.893 0.345 4.769 1.00 0.00 H new ATOM 1524 N TYR A 98 -8.460 -4.159 5.673 1.00 0.00 N ATOM 1525 CA TYR A 98 -8.572 -5.547 6.090 1.00 0.00 C ATOM 1526 C TYR A 98 -8.716 -5.653 7.609 1.00 0.00 C ATOM 1527 O TYR A 98 -9.690 -6.216 8.106 1.00 0.00 O ATOM 1528 CB TYR A 98 -7.266 -6.221 5.664 1.00 0.00 C ATOM 1529 CG TYR A 98 -7.068 -7.619 6.253 1.00 0.00 C ATOM 1530 CD1 TYR A 98 -7.781 -8.688 5.749 1.00 0.00 C ATOM 1531 CD2 TYR A 98 -6.175 -7.812 7.288 1.00 0.00 C ATOM 1532 CE1 TYR A 98 -7.594 -10.004 6.303 1.00 0.00 C ATOM 1533 CE2 TYR A 98 -5.988 -9.128 7.842 1.00 0.00 C ATOM 1534 CZ TYR A 98 -6.707 -10.159 7.322 1.00 0.00 C ATOM 1535 OH TYR A 98 -6.531 -11.402 7.846 1.00 0.00 O ATOM 0 H TYR A 98 -7.650 -3.953 5.088 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.449 -6.014 5.641 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.242 -6.289 4.576 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -6.429 -5.590 5.963 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -8.479 -8.537 4.939 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -5.617 -6.976 7.682 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -8.146 -10.849 5.918 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.293 -9.293 8.652 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.867 -11.363 8.566 1.00 0.00 H new ATOM 1545 N HIS A 99 -7.731 -5.103 8.305 1.00 0.00 N ATOM 1546 CA HIS A 99 -7.735 -5.130 9.757 1.00 0.00 C ATOM 1547 C HIS A 99 -9.093 -4.652 10.275 1.00 0.00 C ATOM 1548 O HIS A 99 -9.835 -5.422 10.883 1.00 0.00 O ATOM 1549 CB HIS A 99 -6.567 -4.316 10.319 1.00 0.00 C ATOM 1550 CG HIS A 99 -6.987 -3.187 11.230 1.00 0.00 C ATOM 1551 ND1 HIS A 99 -7.882 -3.359 12.272 1.00 0.00 N ATOM 1552 CD2 HIS A 99 -6.625 -1.872 11.245 1.00 0.00 C ATOM 1553 CE1 HIS A 99 -8.044 -2.192 12.880 1.00 0.00 C ATOM 1554 NE2 HIS A 99 -7.265 -1.273 12.241 1.00 0.00 N ATOM 0 H HIS A 99 -6.925 -4.636 7.889 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.591 -6.153 10.106 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -5.903 -4.984 10.868 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -5.992 -3.905 9.489 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.935 -1.399 10.562 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.681 -2.003 13.731 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.187 -0.287 12.488 1.00 0.00 H new ATOM 1562 N LEU A 100 -9.378 -3.385 10.015 1.00 0.00 N ATOM 1563 CA LEU A 100 -10.634 -2.796 10.447 1.00 0.00 C ATOM 1564 C LEU A 100 -11.778 -3.765 10.143 1.00 0.00 C ATOM 1565 O LEU A 100 -12.609 -4.040 11.006 1.00 0.00 O ATOM 1566 CB LEU A 100 -10.819 -1.411 9.823 1.00 0.00 C ATOM 1567 CG LEU A 100 -10.178 -0.244 10.579 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -10.005 0.971 9.666 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -10.975 0.095 11.840 1.00 0.00 C ATOM 0 H LEU A 100 -8.760 -2.749 9.510 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.629 -2.636 11.525 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.410 -1.432 8.813 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.887 -1.215 9.731 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.182 -0.550 10.900 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.548 1.786 10.227 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.365 0.706 8.825 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.979 1.288 9.294 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.499 0.927 12.359 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.992 0.374 11.564 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.003 -0.774 12.497 1.00 0.00 H new ATOM 1581 N GLY A 101 -11.784 -4.256 8.912 1.00 0.00 N ATOM 1582 CA GLY A 101 -12.812 -5.188 8.483 1.00 0.00 C ATOM 1583 C GLY A 101 -13.578 -4.643 7.276 1.00 0.00 C ATOM 1584 O GLY A 101 -14.806 -4.571 7.295 1.00 0.00 O ATOM 0 H GLY A 101 -11.093 -4.025 8.198 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.357 -6.145 8.227 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.505 -5.374 9.304 1.00 0.00 H new ATOM 1588 N VAL A 102 -12.821 -4.272 6.254 1.00 0.00 N ATOM 1589 CA VAL A 102 -13.413 -3.735 5.040 1.00 0.00 C ATOM 1590 C VAL A 102 -13.171 -4.710 3.886 1.00 0.00 C ATOM 1591 O VAL A 102 -14.079 -4.990 3.105 1.00 0.00 O ATOM 1592 CB VAL A 102 -12.863 -2.334 4.765 1.00 0.00 C ATOM 1593 CG1 VAL A 102 -13.302 -1.833 3.388 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -13.281 -1.355 5.864 1.00 0.00 C ATOM 0 H VAL A 102 -11.803 -4.333 6.241 1.00 0.00 H new ATOM 0 HA VAL A 102 -14.492 -3.629 5.155 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.775 -2.395 4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -12.898 -0.835 3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -12.931 -2.511 2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -14.390 -1.796 3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.877 -0.367 5.644 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.369 -1.301 5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.896 -1.699 6.824 1.00 0.00 H new ATOM 1604 N ILE A 103 -11.942 -5.199 3.814 1.00 0.00 N ATOM 1605 CA ILE A 103 -11.569 -6.136 2.768 1.00 0.00 C ATOM 1606 C ILE A 103 -11.387 -7.528 3.377 1.00 0.00 C ATOM 1607 O ILE A 103 -11.340 -7.674 4.598 1.00 0.00 O ATOM 1608 CB ILE A 103 -10.340 -5.631 2.010 1.00 0.00 C ATOM 1609 CG1 ILE A 103 -9.227 -5.225 2.978 1.00 0.00 C ATOM 1610 CG2 ILE A 103 -10.713 -4.495 1.055 1.00 0.00 C ATOM 1611 CD1 ILE A 103 -7.958 -4.831 2.219 1.00 0.00 C ATOM 0 H ILE A 103 -11.191 -4.964 4.463 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.363 -6.214 2.025 1.00 0.00 H new ATOM 0 HB ILE A 103 -9.954 -6.449 1.401 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.562 -4.390 3.593 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -9.009 -6.051 3.654 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.821 -4.154 0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.446 -4.853 0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -11.138 -3.667 1.623 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.182 -4.547 2.930 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.613 -5.676 1.624 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.174 -3.989 1.562 1.00 0.00 H new ATOM 1623 N GLU A 104 -11.290 -8.515 2.499 1.00 0.00 N ATOM 1624 CA GLU A 104 -11.114 -9.890 2.935 1.00 0.00 C ATOM 1625 C GLU A 104 -9.783 -10.444 2.422 1.00 0.00 C ATOM 1626 O GLU A 104 -9.353 -10.112 1.319 1.00 0.00 O ATOM 1627 CB GLU A 104 -12.284 -10.764 2.478 1.00 0.00 C ATOM 1628 CG GLU A 104 -12.375 -10.804 0.951 1.00 0.00 C ATOM 1629 CD GLU A 104 -13.827 -10.683 0.485 1.00 0.00 C ATOM 1630 OE1 GLU A 104 -14.452 -9.659 0.835 1.00 0.00 O ATOM 1631 OE2 GLU A 104 -14.279 -11.619 -0.210 1.00 0.00 O ATOM 0 H GLU A 104 -11.330 -8.390 1.487 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.095 -9.905 4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.160 -11.775 2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.215 -10.377 2.891 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.784 -9.992 0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.947 -11.736 0.582 1.00 0.00 H new