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 29 LYS NZ :NH3+ 153:sc= 0.97 (180deg=-0.293!) USER MOD Set 1.2: A 45 TYR OH : rot -5:sc= -2.95! USER MOD Set 2.1: A 24 THR OG1 : rot -93:sc= 1.08 USER MOD Set 2.2: A 27 ASN : amide:sc= -0.63 K(o=0.45,f=-6.7!) USER MOD Single : A 33 ASN : amide:sc= -0.0063 K(o=-0.0063,f=-0.54) USER MOD Single : A 34 GLN : amide:sc= -0.0441 K(o=-0.044,f=-0.59) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.194 USER MOD Single : A 37 GLN : amide:sc=-0.00759 X(o=-0.0076,f=-0.075) 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= -0.311 K(o=-0.31,f=-2.7!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -3.22! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.87 K(o=-1.9,f=-4.5!) USER MOD Single : A 54 HIS :FLIP no HD1:sc= -3.67! C(o=-4.4!,f=-3.7!) USER MOD Single : A 55 ASN : amide:sc= -0.0462 K(o=-0.046,f=-1.7!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.316 USER MOD Single : A 62 MET CE :methyl 179:sc= -3.18! (180deg=-3.25!) USER MOD Single : A 63 THR OG1 : rot -87:sc= 0.389 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 HE2:sc= -5.66! C(o=-5.7!,f=-8.8!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -4.24 K(o=-4.2,f=-19!) 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= -4.74! C(o=-4.7!,f=-14!) USER MOD Single : A 88 SER OG : rot 180:sc= -0.123 USER MOD Single : A 89 CYS SG : rot 50:sc= -3.52 USER MOD Single : A 92 SER OG : rot 66:sc= -0.116 USER MOD Single : A 96 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.0066) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -5.14! C(o=-5.1!,f=-7.8!) USER MOD ----------------------------------------------------------------- ATOM 276 N TRP A 23 -1.692 -9.845 0.473 1.00 0.00 N ATOM 277 CA TRP A 23 -1.845 -8.458 0.067 1.00 0.00 C ATOM 278 C TRP A 23 -0.449 -7.875 -0.160 1.00 0.00 C ATOM 279 O TRP A 23 0.193 -7.408 0.780 1.00 0.00 O ATOM 280 CB TRP A 23 -2.661 -7.673 1.096 1.00 0.00 C ATOM 281 CG TRP A 23 -4.166 -7.941 1.033 1.00 0.00 C ATOM 282 CD1 TRP A 23 -4.979 -8.317 2.029 1.00 0.00 C ATOM 283 CD2 TRP A 23 -5.009 -7.837 -0.134 1.00 0.00 C ATOM 284 NE1 TRP A 23 -6.280 -8.463 1.592 1.00 0.00 N ATOM 285 CE2 TRP A 23 -6.299 -8.161 0.235 1.00 0.00 C ATOM 286 CE3 TRP A 23 -4.693 -7.480 -1.456 1.00 0.00 C ATOM 287 CZ2 TRP A 23 -7.375 -8.161 -0.661 1.00 0.00 C ATOM 288 CZ3 TRP A 23 -5.780 -7.485 -2.339 1.00 0.00 C ATOM 289 CH2 TRP A 23 -7.084 -7.809 -1.984 1.00 0.00 C ATOM 0 HA TRP A 23 -2.407 -8.388 -0.865 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.300 -7.919 2.095 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.486 -6.608 0.947 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.657 -8.485 3.046 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -7.080 -8.741 2.160 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -3.691 -7.222 -1.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.376 -8.419 -0.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.592 -7.218 -3.368 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -7.869 -7.789 -2.725 1.00 0.00 H new ATOM 300 N THR A 24 -0.019 -7.922 -1.412 1.00 0.00 N ATOM 301 CA THR A 24 1.289 -7.404 -1.775 1.00 0.00 C ATOM 302 C THR A 24 1.170 -5.969 -2.292 1.00 0.00 C ATOM 303 O THR A 24 0.158 -5.602 -2.887 1.00 0.00 O ATOM 304 CB THR A 24 1.914 -8.366 -2.787 1.00 0.00 C ATOM 305 OG1 THR A 24 1.279 -8.034 -4.019 1.00 0.00 O ATOM 306 CG2 THR A 24 1.511 -9.821 -2.539 1.00 0.00 C ATOM 0 H THR A 24 -0.554 -8.311 -2.189 1.00 0.00 H new ATOM 0 HA THR A 24 1.948 -7.349 -0.908 1.00 0.00 H new ATOM 0 HB THR A 24 3.000 -8.279 -2.747 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.492 -8.605 -4.146 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.982 -10.461 -3.285 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.836 -10.124 -1.544 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.428 -9.916 -2.611 1.00 0.00 H new ATOM 314 N LEU A 25 2.219 -5.197 -2.047 1.00 0.00 N ATOM 315 CA LEU A 25 2.245 -3.811 -2.481 1.00 0.00 C ATOM 316 C LEU A 25 1.487 -3.681 -3.804 1.00 0.00 C ATOM 317 O LEU A 25 0.781 -2.698 -4.024 1.00 0.00 O ATOM 318 CB LEU A 25 3.684 -3.296 -2.543 1.00 0.00 C ATOM 319 CG LEU A 25 4.268 -2.774 -1.229 1.00 0.00 C ATOM 320 CD1 LEU A 25 5.733 -3.188 -1.077 1.00 0.00 C ATOM 321 CD2 LEU A 25 4.084 -1.260 -1.110 1.00 0.00 C ATOM 0 H LEU A 25 3.057 -5.505 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 25 1.735 -3.175 -1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.322 -4.102 -2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.731 -2.496 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 25 3.718 -3.230 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.124 -2.804 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.806 -4.276 -1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.314 -2.780 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.508 -0.915 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.591 -0.766 -1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.021 -1.019 -1.140 1.00 0.00 H new ATOM 333 N GLU A 26 1.660 -4.686 -4.649 1.00 0.00 N ATOM 334 CA GLU A 26 1.001 -4.696 -5.944 1.00 0.00 C ATOM 335 C GLU A 26 -0.513 -4.830 -5.769 1.00 0.00 C ATOM 336 O GLU A 26 -1.267 -3.933 -6.143 1.00 0.00 O ATOM 337 CB GLU A 26 1.551 -5.815 -6.831 1.00 0.00 C ATOM 338 CG GLU A 26 2.959 -5.479 -7.328 1.00 0.00 C ATOM 339 CD GLU A 26 3.183 -6.015 -8.743 1.00 0.00 C ATOM 340 OE1 GLU A 26 3.481 -7.224 -8.851 1.00 0.00 O ATOM 341 OE2 GLU A 26 3.052 -5.204 -9.685 1.00 0.00 O ATOM 0 H GLU A 26 2.247 -5.499 -4.463 1.00 0.00 H new ATOM 0 HA GLU A 26 1.207 -3.748 -6.441 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.573 -6.750 -6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.888 -5.968 -7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.104 -4.399 -7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.699 -5.907 -6.652 1.00 0.00 H new ATOM 348 N ASN A 27 -0.913 -5.958 -5.199 1.00 0.00 N ATOM 349 CA ASN A 27 -2.323 -6.221 -4.970 1.00 0.00 C ATOM 350 C ASN A 27 -2.948 -5.029 -4.241 1.00 0.00 C ATOM 351 O ASN A 27 -3.843 -4.373 -4.770 1.00 0.00 O ATOM 352 CB ASN A 27 -2.517 -7.463 -4.098 1.00 0.00 C ATOM 353 CG ASN A 27 -1.860 -8.689 -4.736 1.00 0.00 C ATOM 354 OD1 ASN A 27 -1.088 -9.404 -4.119 1.00 0.00 O ATOM 355 ND2 ASN A 27 -2.210 -8.891 -6.003 1.00 0.00 N ATOM 0 H ASN A 27 -0.285 -6.700 -4.889 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.798 -6.382 -5.938 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.089 -7.289 -3.111 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.582 -7.649 -3.956 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.827 -9.684 -6.518 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.862 -8.253 -6.460 1.00 0.00 H new ATOM 362 N ALA A 28 -2.451 -4.787 -3.037 1.00 0.00 N ATOM 363 CA ALA A 28 -2.949 -3.686 -2.230 1.00 0.00 C ATOM 364 C ALA A 28 -3.268 -2.497 -3.138 1.00 0.00 C ATOM 365 O ALA A 28 -4.345 -1.910 -3.043 1.00 0.00 O ATOM 366 CB ALA A 28 -1.921 -3.337 -1.152 1.00 0.00 C ATOM 0 H ALA A 28 -1.709 -5.334 -2.601 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.871 -3.969 -1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.295 -2.511 -0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.752 -4.206 -0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.983 -3.045 -1.625 1.00 0.00 H new ATOM 372 N LYS A 29 -2.312 -2.177 -3.998 1.00 0.00 N ATOM 373 CA LYS A 29 -2.478 -1.068 -4.923 1.00 0.00 C ATOM 374 C LYS A 29 -3.712 -1.316 -5.793 1.00 0.00 C ATOM 375 O LYS A 29 -4.744 -0.674 -5.610 1.00 0.00 O ATOM 376 CB LYS A 29 -1.195 -0.843 -5.725 1.00 0.00 C ATOM 377 CG LYS A 29 -1.446 0.089 -6.912 1.00 0.00 C ATOM 378 CD LYS A 29 -1.663 1.529 -6.442 1.00 0.00 C ATOM 379 CE LYS A 29 -0.942 2.519 -7.358 1.00 0.00 C ATOM 380 NZ LYS A 29 -1.509 3.877 -7.203 1.00 0.00 N ATOM 0 H LYS A 29 -1.420 -2.666 -4.074 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.653 -0.140 -4.378 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.428 -0.416 -5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.814 -1.799 -6.083 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.598 0.050 -7.596 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.320 -0.251 -7.468 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.730 1.753 -6.426 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.298 1.641 -5.421 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.122 2.534 -7.121 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.033 2.197 -8.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.784 4.585 -7.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.321 3.989 -7.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.822 4.013 -6.220 1.00 0.00 H new ATOM 394 N ALA A 30 -3.563 -2.249 -6.722 1.00 0.00 N ATOM 395 CA ALA A 30 -4.652 -2.589 -7.622 1.00 0.00 C ATOM 396 C ALA A 30 -5.959 -2.663 -6.829 1.00 0.00 C ATOM 397 O ALA A 30 -6.879 -1.882 -7.066 1.00 0.00 O ATOM 398 CB ALA A 30 -4.331 -3.902 -8.339 1.00 0.00 C ATOM 0 H ALA A 30 -2.705 -2.780 -6.871 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.772 -1.821 -8.386 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.148 -4.157 -9.014 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.410 -3.789 -8.911 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.206 -4.697 -7.604 1.00 0.00 H new ATOM 404 N ARG A 31 -5.998 -3.610 -5.902 1.00 0.00 N ATOM 405 CA ARG A 31 -7.177 -3.796 -5.073 1.00 0.00 C ATOM 406 C ARG A 31 -7.798 -2.442 -4.721 1.00 0.00 C ATOM 407 O ARG A 31 -8.994 -2.234 -4.918 1.00 0.00 O ATOM 408 CB ARG A 31 -6.830 -4.541 -3.782 1.00 0.00 C ATOM 409 CG ARG A 31 -8.073 -4.742 -2.914 1.00 0.00 C ATOM 410 CD ARG A 31 -9.269 -5.181 -3.762 1.00 0.00 C ATOM 411 NE ARG A 31 -10.452 -5.391 -2.898 1.00 0.00 N ATOM 412 CZ ARG A 31 -11.670 -5.711 -3.357 1.00 0.00 C ATOM 413 NH1 ARG A 31 -11.872 -5.860 -4.673 1.00 0.00 N ATOM 414 NH2 ARG A 31 -12.686 -5.881 -2.499 1.00 0.00 N ATOM 0 H ARG A 31 -5.233 -4.256 -5.707 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.892 -4.390 -5.642 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.390 -5.509 -4.023 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.080 -3.980 -3.225 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.870 -5.492 -2.150 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.312 -3.814 -2.394 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.488 -4.424 -4.515 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.029 -6.101 -4.295 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.333 -5.286 -1.890 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.099 -5.730 -5.326 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.799 -6.104 -5.022 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.532 -5.767 -1.497 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.613 -6.124 -2.848 1.00 0.00 H new ATOM 428 N LEU A 32 -6.956 -1.557 -4.207 1.00 0.00 N ATOM 429 CA LEU A 32 -7.408 -0.230 -3.826 1.00 0.00 C ATOM 430 C LEU A 32 -8.231 0.371 -4.967 1.00 0.00 C ATOM 431 O LEU A 32 -9.396 0.720 -4.780 1.00 0.00 O ATOM 432 CB LEU A 32 -6.221 0.638 -3.400 1.00 0.00 C ATOM 433 CG LEU A 32 -6.570 1.977 -2.747 1.00 0.00 C ATOM 434 CD1 LEU A 32 -7.280 1.765 -1.409 1.00 0.00 C ATOM 435 CD2 LEU A 32 -5.326 2.857 -2.603 1.00 0.00 C ATOM 0 H LEU A 32 -5.964 -1.733 -4.046 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.062 -0.285 -2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.609 0.065 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.606 0.834 -4.278 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.265 2.506 -3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.517 2.732 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.201 1.204 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.629 1.207 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.601 3.803 -2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.589 2.347 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.900 3.049 -3.588 1.00 0.00 H new ATOM 447 N ASN A 33 -7.593 0.474 -6.123 1.00 0.00 N ATOM 448 CA ASN A 33 -8.252 1.027 -7.295 1.00 0.00 C ATOM 449 C ASN A 33 -9.568 0.285 -7.532 1.00 0.00 C ATOM 450 O ASN A 33 -10.566 0.892 -7.918 1.00 0.00 O ATOM 451 CB ASN A 33 -7.384 0.862 -8.544 1.00 0.00 C ATOM 452 CG ASN A 33 -6.414 2.036 -8.697 1.00 0.00 C ATOM 453 OD1 ASN A 33 -6.079 2.725 -7.748 1.00 0.00 O ATOM 454 ND2 ASN A 33 -5.985 2.223 -9.942 1.00 0.00 N ATOM 0 H ASN A 33 -6.627 0.184 -6.274 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.426 2.088 -7.115 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.824 -0.071 -8.481 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -8.020 0.794 -9.427 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.335 2.981 -10.149 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.306 1.608 -10.690 1.00 0.00 H new ATOM 461 N GLN A 34 -9.529 -1.017 -7.291 1.00 0.00 N ATOM 462 CA GLN A 34 -10.706 -1.849 -7.473 1.00 0.00 C ATOM 463 C GLN A 34 -11.821 -1.405 -6.524 1.00 0.00 C ATOM 464 O GLN A 34 -12.966 -1.236 -6.941 1.00 0.00 O ATOM 465 CB GLN A 34 -10.370 -3.327 -7.272 1.00 0.00 C ATOM 466 CG GLN A 34 -10.209 -4.041 -8.615 1.00 0.00 C ATOM 467 CD GLN A 34 -11.468 -4.837 -8.968 1.00 0.00 C ATOM 468 OE1 GLN A 34 -12.568 -4.527 -8.543 1.00 0.00 O ATOM 469 NE2 GLN A 34 -11.244 -5.877 -9.765 1.00 0.00 N ATOM 0 H GLN A 34 -8.700 -1.517 -6.971 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.058 -1.728 -8.498 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.450 -3.419 -6.695 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.159 -3.807 -6.693 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.006 -3.310 -9.397 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.350 -4.711 -8.574 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.297 -6.080 -10.084 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.019 -6.472 -10.057 1.00 0.00 H new ATOM 478 N TYR A 35 -11.448 -1.231 -5.265 1.00 0.00 N ATOM 479 CA TYR A 35 -12.402 -0.811 -4.253 1.00 0.00 C ATOM 480 C TYR A 35 -13.065 0.513 -4.640 1.00 0.00 C ATOM 481 O TYR A 35 -14.236 0.737 -4.337 1.00 0.00 O ATOM 482 CB TYR A 35 -11.594 -0.606 -2.970 1.00 0.00 C ATOM 483 CG TYR A 35 -12.361 0.114 -1.859 1.00 0.00 C ATOM 484 CD1 TYR A 35 -13.349 -0.549 -1.161 1.00 0.00 C ATOM 485 CD2 TYR A 35 -12.064 1.427 -1.556 1.00 0.00 C ATOM 486 CE1 TYR A 35 -14.071 0.129 -0.115 1.00 0.00 C ATOM 487 CE2 TYR A 35 -12.786 2.106 -0.511 1.00 0.00 C ATOM 488 CZ TYR A 35 -13.754 1.423 0.158 1.00 0.00 C ATOM 489 OH TYR A 35 -14.436 2.063 1.145 1.00 0.00 O ATOM 0 H TYR A 35 -10.498 -1.373 -4.922 1.00 0.00 H new ATOM 0 HA TYR A 35 -13.190 -1.555 -4.137 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -11.266 -1.578 -2.600 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -10.696 -0.035 -3.206 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -13.581 -1.577 -1.399 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -11.290 1.946 -2.102 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -14.846 -0.379 0.440 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -12.564 3.134 -0.264 1.00 0.00 H new ATOM 0 HH TYR A 35 -14.103 2.981 1.231 1.00 0.00 H new ATOM 499 N PHE A 36 -12.287 1.356 -5.304 1.00 0.00 N ATOM 500 CA PHE A 36 -12.784 2.651 -5.735 1.00 0.00 C ATOM 501 C PHE A 36 -13.544 2.534 -7.058 1.00 0.00 C ATOM 502 O PHE A 36 -14.355 3.397 -7.391 1.00 0.00 O ATOM 503 CB PHE A 36 -11.565 3.552 -5.939 1.00 0.00 C ATOM 504 CG PHE A 36 -10.793 3.856 -4.654 1.00 0.00 C ATOM 505 CD1 PHE A 36 -11.455 3.946 -3.469 1.00 0.00 C ATOM 506 CD2 PHE A 36 -9.446 4.036 -4.695 1.00 0.00 C ATOM 507 CE1 PHE A 36 -10.739 4.228 -2.275 1.00 0.00 C ATOM 508 CE2 PHE A 36 -8.730 4.318 -3.502 1.00 0.00 C ATOM 509 CZ PHE A 36 -9.391 4.408 -2.317 1.00 0.00 C ATOM 0 H PHE A 36 -11.316 1.167 -5.554 1.00 0.00 H new ATOM 0 HA PHE A 36 -13.468 3.054 -4.988 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.891 3.077 -6.652 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.891 4.491 -6.385 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.525 3.803 -3.436 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.920 3.964 -5.636 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -11.264 4.300 -1.334 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.660 4.461 -3.536 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.846 4.622 -1.409 1.00 0.00 H new ATOM 519 N GLN A 37 -13.254 1.459 -7.777 1.00 0.00 N ATOM 520 CA GLN A 37 -13.900 1.218 -9.056 1.00 0.00 C ATOM 521 C GLN A 37 -15.253 0.535 -8.847 1.00 0.00 C ATOM 522 O GLN A 37 -16.217 0.832 -9.551 1.00 0.00 O ATOM 523 CB GLN A 37 -13.003 0.386 -9.975 1.00 0.00 C ATOM 524 CG GLN A 37 -11.970 1.269 -10.679 1.00 0.00 C ATOM 525 CD GLN A 37 -12.141 1.207 -12.198 1.00 0.00 C ATOM 526 OE1 GLN A 37 -12.182 0.148 -12.802 1.00 0.00 O ATOM 527 NE2 GLN A 37 -12.239 2.399 -12.780 1.00 0.00 N ATOM 0 H GLN A 37 -12.581 0.746 -7.498 1.00 0.00 H new ATOM 0 HA GLN A 37 -14.071 2.179 -9.541 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.494 -0.383 -9.394 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.614 -0.128 -10.717 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.075 2.299 -10.339 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.965 0.945 -10.409 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -12.197 3.247 -12.215 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.356 2.465 -13.791 1.00 0.00 H new ATOM 536 N LYS A 38 -15.282 -0.366 -7.876 1.00 0.00 N ATOM 537 CA LYS A 38 -16.501 -1.093 -7.566 1.00 0.00 C ATOM 538 C LYS A 38 -17.487 -0.153 -6.869 1.00 0.00 C ATOM 539 O LYS A 38 -18.609 0.033 -7.335 1.00 0.00 O ATOM 540 CB LYS A 38 -16.183 -2.356 -6.763 1.00 0.00 C ATOM 541 CG LYS A 38 -16.201 -3.595 -7.660 1.00 0.00 C ATOM 542 CD LYS A 38 -17.635 -3.990 -8.020 1.00 0.00 C ATOM 543 CE LYS A 38 -18.016 -5.322 -7.370 1.00 0.00 C ATOM 544 NZ LYS A 38 -17.674 -6.451 -8.263 1.00 0.00 N ATOM 0 H LYS A 38 -14.481 -0.609 -7.294 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.982 -1.438 -8.481 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.204 -2.256 -6.294 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.911 -2.473 -5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.635 -3.398 -8.570 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.708 -4.424 -7.152 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.324 -3.211 -7.693 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.734 -4.068 -9.103 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.494 -5.432 -6.419 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.084 -5.334 -7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.939 -7.347 -7.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.191 -6.353 -9.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.651 -6.448 -8.451 1.00 0.00 H new ATOM 558 N GLU A 39 -17.031 0.415 -5.762 1.00 0.00 N ATOM 559 CA GLU A 39 -17.858 1.331 -4.995 1.00 0.00 C ATOM 560 C GLU A 39 -18.079 2.628 -5.777 1.00 0.00 C ATOM 561 O GLU A 39 -18.979 3.403 -5.458 1.00 0.00 O ATOM 562 CB GLU A 39 -17.238 1.616 -3.626 1.00 0.00 C ATOM 563 CG GLU A 39 -17.682 0.575 -2.596 1.00 0.00 C ATOM 564 CD GLU A 39 -18.998 0.987 -1.934 1.00 0.00 C ATOM 565 OE1 GLU A 39 -19.974 1.190 -2.688 1.00 0.00 O ATOM 566 OE2 GLU A 39 -18.999 1.089 -0.688 1.00 0.00 O ATOM 0 H GLU A 39 -16.099 0.258 -5.378 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.827 0.860 -4.827 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.151 1.612 -3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.529 2.612 -3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.802 -0.394 -3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.909 0.457 -1.836 1.00 0.00 H new ATOM 573 N LYS A 40 -17.242 2.823 -6.786 1.00 0.00 N ATOM 574 CA LYS A 40 -17.335 4.012 -7.616 1.00 0.00 C ATOM 575 C LYS A 40 -16.821 5.219 -6.829 1.00 0.00 C ATOM 576 O LYS A 40 -17.204 6.354 -7.106 1.00 0.00 O ATOM 577 CB LYS A 40 -18.759 4.185 -8.147 1.00 0.00 C ATOM 578 CG LYS A 40 -18.828 3.871 -9.643 1.00 0.00 C ATOM 579 CD LYS A 40 -18.268 5.027 -10.473 1.00 0.00 C ATOM 580 CE LYS A 40 -19.222 5.399 -11.609 1.00 0.00 C ATOM 581 NZ LYS A 40 -18.758 6.626 -12.295 1.00 0.00 N ATOM 0 H LYS A 40 -16.497 2.178 -7.047 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.701 3.912 -8.497 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.437 3.528 -7.602 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -19.095 5.207 -7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.265 2.962 -9.853 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -19.862 3.680 -9.931 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -18.104 5.894 -9.832 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -17.298 4.747 -10.885 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -19.285 4.578 -12.323 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.226 5.554 -11.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.417 6.864 -13.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -18.721 7.411 -11.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.809 6.465 -12.690 1.00 0.00 H new ATOM 595 N ILE A 41 -15.961 4.933 -5.862 1.00 0.00 N ATOM 596 CA ILE A 41 -15.391 5.981 -5.033 1.00 0.00 C ATOM 597 C ILE A 41 -14.211 6.620 -5.766 1.00 0.00 C ATOM 598 O ILE A 41 -13.717 6.072 -6.750 1.00 0.00 O ATOM 599 CB ILE A 41 -15.032 5.434 -3.649 1.00 0.00 C ATOM 600 CG1 ILE A 41 -16.282 4.951 -2.910 1.00 0.00 C ATOM 601 CG2 ILE A 41 -14.249 6.467 -2.838 1.00 0.00 C ATOM 602 CD1 ILE A 41 -15.933 3.848 -1.907 1.00 0.00 C ATOM 0 H ILE A 41 -15.645 3.990 -5.634 1.00 0.00 H new ATOM 0 HA ILE A 41 -16.123 6.769 -4.859 1.00 0.00 H new ATOM 0 HB ILE A 41 -14.382 4.569 -3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -16.747 5.788 -2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -17.012 4.577 -3.628 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.006 6.053 -1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.328 6.720 -3.363 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.854 7.365 -2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -16.838 3.522 -1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.490 3.003 -2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -15.221 4.233 -1.176 1.00 0.00 H new ATOM 614 N GLN A 42 -13.793 7.771 -5.259 1.00 0.00 N ATOM 615 CA GLN A 42 -12.680 8.491 -5.854 1.00 0.00 C ATOM 616 C GLN A 42 -11.629 8.817 -4.790 1.00 0.00 C ATOM 617 O GLN A 42 -11.950 9.392 -3.751 1.00 0.00 O ATOM 618 CB GLN A 42 -13.162 9.762 -6.556 1.00 0.00 C ATOM 619 CG GLN A 42 -14.149 10.533 -5.678 1.00 0.00 C ATOM 620 CD GLN A 42 -15.572 10.426 -6.229 1.00 0.00 C ATOM 621 OE1 GLN A 42 -15.799 10.037 -7.362 1.00 0.00 O ATOM 622 NE2 GLN A 42 -16.515 10.793 -5.366 1.00 0.00 N ATOM 0 H GLN A 42 -14.205 8.223 -4.443 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.220 7.851 -6.607 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.308 10.397 -6.793 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.638 9.501 -7.501 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.119 10.142 -4.661 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.853 11.581 -5.626 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -16.256 11.109 -4.432 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -17.497 10.758 -5.639 1.00 0.00 H new ATOM 631 N GLY A 43 -10.396 8.435 -5.086 1.00 0.00 N ATOM 632 CA GLY A 43 -9.296 8.679 -4.169 1.00 0.00 C ATOM 633 C GLY A 43 -7.952 8.629 -4.898 1.00 0.00 C ATOM 634 O GLY A 43 -7.657 7.661 -5.597 1.00 0.00 O ATOM 0 H GLY A 43 -10.134 7.958 -5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.421 9.653 -3.697 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.310 7.935 -3.373 1.00 0.00 H new ATOM 638 N GLU A 44 -7.173 9.684 -4.709 1.00 0.00 N ATOM 639 CA GLU A 44 -5.867 9.772 -5.340 1.00 0.00 C ATOM 640 C GLU A 44 -4.765 9.784 -4.279 1.00 0.00 C ATOM 641 O GLU A 44 -5.043 9.656 -3.088 1.00 0.00 O ATOM 642 CB GLU A 44 -5.775 11.006 -6.240 1.00 0.00 C ATOM 643 CG GLU A 44 -6.672 12.132 -5.720 1.00 0.00 C ATOM 644 CD GLU A 44 -6.698 13.308 -6.698 1.00 0.00 C ATOM 645 OE1 GLU A 44 -5.720 13.428 -7.467 1.00 0.00 O ATOM 646 OE2 GLU A 44 -7.695 14.061 -6.654 1.00 0.00 O ATOM 0 H GLU A 44 -7.421 10.485 -4.128 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.729 8.893 -5.969 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.742 11.351 -6.286 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.068 10.742 -7.256 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.684 11.756 -5.571 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.311 12.470 -4.749 1.00 0.00 H new ATOM 653 N TYR A 45 -3.536 9.938 -4.750 1.00 0.00 N ATOM 654 CA TYR A 45 -2.390 9.968 -3.857 1.00 0.00 C ATOM 655 C TYR A 45 -1.793 11.374 -3.778 1.00 0.00 C ATOM 656 O TYR A 45 -1.974 12.182 -4.688 1.00 0.00 O ATOM 657 CB TYR A 45 -1.355 9.021 -4.467 1.00 0.00 C ATOM 658 CG TYR A 45 -1.771 7.548 -4.447 1.00 0.00 C ATOM 659 CD1 TYR A 45 -2.534 7.033 -5.474 1.00 0.00 C ATOM 660 CD2 TYR A 45 -1.383 6.736 -3.401 1.00 0.00 C ATOM 661 CE1 TYR A 45 -2.926 5.647 -5.456 1.00 0.00 C ATOM 662 CE2 TYR A 45 -1.775 5.350 -3.382 1.00 0.00 C ATOM 663 CZ TYR A 45 -2.527 4.874 -4.410 1.00 0.00 C ATOM 664 OH TYR A 45 -2.896 3.566 -4.393 1.00 0.00 O ATOM 0 H TYR A 45 -3.309 10.043 -5.739 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.682 9.675 -2.849 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.166 9.321 -5.498 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.415 9.130 -3.926 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.838 7.669 -6.292 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.786 7.139 -2.597 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.523 5.231 -6.254 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.478 4.703 -2.569 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.495 3.385 -5.147 1.00 0.00 H new ATOM 674 N LYS A 46 -1.093 11.625 -2.681 1.00 0.00 N ATOM 675 CA LYS A 46 -0.468 12.920 -2.472 1.00 0.00 C ATOM 676 C LYS A 46 1.039 12.729 -2.282 1.00 0.00 C ATOM 677 O LYS A 46 1.487 12.338 -1.205 1.00 0.00 O ATOM 678 CB LYS A 46 -1.144 13.661 -1.317 1.00 0.00 C ATOM 679 CG LYS A 46 -0.524 15.045 -1.116 1.00 0.00 C ATOM 680 CD LYS A 46 -1.417 16.137 -1.707 1.00 0.00 C ATOM 681 CE LYS A 46 -2.044 16.991 -0.603 1.00 0.00 C ATOM 682 NZ LYS A 46 -3.329 16.405 -0.162 1.00 0.00 N ATOM 0 H LYS A 46 -0.945 10.953 -1.928 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.602 13.554 -3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.210 13.762 -1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.048 13.079 -0.401 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.374 15.229 -0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.458 15.079 -1.587 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.831 16.770 -2.373 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.203 15.682 -2.310 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.360 17.062 0.243 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.206 18.005 -0.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.741 16.997 0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.985 16.360 -0.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.165 15.446 0.205 1.00 0.00 H new ATOM 696 N TYR A 47 1.778 13.014 -3.344 1.00 0.00 N ATOM 697 CA TYR A 47 3.224 12.879 -3.307 1.00 0.00 C ATOM 698 C TYR A 47 3.885 14.186 -2.863 1.00 0.00 C ATOM 699 O TYR A 47 3.688 15.228 -3.484 1.00 0.00 O ATOM 700 CB TYR A 47 3.654 12.566 -4.741 1.00 0.00 C ATOM 701 CG TYR A 47 3.032 11.291 -5.313 1.00 0.00 C ATOM 702 CD1 TYR A 47 3.578 10.060 -5.009 1.00 0.00 C ATOM 703 CD2 TYR A 47 1.926 11.371 -6.134 1.00 0.00 C ATOM 704 CE1 TYR A 47 2.992 8.860 -5.547 1.00 0.00 C ATOM 705 CE2 TYR A 47 1.340 10.170 -6.672 1.00 0.00 C ATOM 706 CZ TYR A 47 1.903 8.974 -6.352 1.00 0.00 C ATOM 707 OH TYR A 47 1.350 7.840 -6.861 1.00 0.00 O ATOM 0 H TYR A 47 1.402 13.338 -4.235 1.00 0.00 H new ATOM 0 HA TYR A 47 3.520 12.102 -2.602 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.387 13.407 -5.381 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.740 12.474 -4.772 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.445 9.997 -4.368 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.500 12.334 -6.373 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.409 7.891 -5.316 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.473 10.218 -7.315 1.00 0.00 H new ATOM 0 HH TYR A 47 0.578 8.074 -7.417 1.00 0.00 H new ATOM 717 N THR A 48 4.656 14.086 -1.790 1.00 0.00 N ATOM 718 CA THR A 48 5.348 15.246 -1.255 1.00 0.00 C ATOM 719 C THR A 48 6.863 15.039 -1.315 1.00 0.00 C ATOM 720 O THR A 48 7.416 14.251 -0.549 1.00 0.00 O ATOM 721 CB THR A 48 4.825 15.497 0.161 1.00 0.00 C ATOM 722 OG1 THR A 48 3.515 16.020 -0.041 1.00 0.00 O ATOM 723 CG2 THR A 48 5.573 16.628 0.870 1.00 0.00 C ATOM 0 H THR A 48 4.817 13.219 -1.277 1.00 0.00 H new ATOM 0 HA THR A 48 5.149 16.135 -1.853 1.00 0.00 H new ATOM 0 HB THR A 48 4.911 14.582 0.747 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.101 16.210 0.827 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.162 16.765 1.870 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.631 16.375 0.943 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.459 17.551 0.302 1.00 0.00 H new ATOM 731 N GLN A 49 7.491 15.759 -2.233 1.00 0.00 N ATOM 732 CA GLN A 49 8.930 15.664 -2.403 1.00 0.00 C ATOM 733 C GLN A 49 9.649 16.284 -1.203 1.00 0.00 C ATOM 734 O GLN A 49 9.342 17.406 -0.803 1.00 0.00 O ATOM 735 CB GLN A 49 9.373 16.326 -3.709 1.00 0.00 C ATOM 736 CG GLN A 49 10.893 16.261 -3.869 1.00 0.00 C ATOM 737 CD GLN A 49 11.546 17.579 -3.446 1.00 0.00 C ATOM 738 OE1 GLN A 49 11.151 18.216 -2.483 1.00 0.00 O ATOM 739 NE2 GLN A 49 12.564 17.950 -4.216 1.00 0.00 N ATOM 0 H GLN A 49 7.029 16.411 -2.867 1.00 0.00 H new ATOM 0 HA GLN A 49 9.200 14.609 -2.459 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.893 15.830 -4.553 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.047 17.366 -3.723 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.291 15.444 -3.267 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.144 16.043 -4.907 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.843 17.370 -5.007 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.066 18.815 -4.016 1.00 0.00 H new ATOM 748 N VAL A 50 10.592 15.527 -0.661 1.00 0.00 N ATOM 749 CA VAL A 50 11.356 15.988 0.485 1.00 0.00 C ATOM 750 C VAL A 50 12.838 15.684 0.260 1.00 0.00 C ATOM 751 O VAL A 50 13.200 15.028 -0.716 1.00 0.00 O ATOM 752 CB VAL A 50 10.805 15.362 1.768 1.00 0.00 C ATOM 753 CG1 VAL A 50 9.421 15.921 2.100 1.00 0.00 C ATOM 754 CG2 VAL A 50 10.769 13.836 1.661 1.00 0.00 C ATOM 0 H VAL A 50 10.844 14.597 -0.995 1.00 0.00 H new ATOM 0 HA VAL A 50 11.259 17.068 0.599 1.00 0.00 H new ATOM 0 HB VAL A 50 11.477 15.625 2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.052 15.460 3.016 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.488 17.000 2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.735 15.702 1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.374 13.416 2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.130 13.545 0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.778 13.459 1.494 1.00 0.00 H new ATOM 764 N GLY A 51 13.657 16.175 1.179 1.00 0.00 N ATOM 765 CA GLY A 51 15.092 15.963 1.093 1.00 0.00 C ATOM 766 C GLY A 51 15.682 16.690 -0.117 1.00 0.00 C ATOM 767 O GLY A 51 14.953 17.318 -0.884 1.00 0.00 O ATOM 0 H GLY A 51 13.354 16.719 1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.571 16.319 2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.302 14.896 1.019 1.00 0.00 H new ATOM 771 N PRO A 52 17.030 16.577 -0.255 1.00 0.00 N ATOM 772 CA PRO A 52 17.726 17.215 -1.359 1.00 0.00 C ATOM 773 C PRO A 52 17.494 16.455 -2.667 1.00 0.00 C ATOM 774 O PRO A 52 17.154 15.273 -2.650 1.00 0.00 O ATOM 775 CB PRO A 52 19.186 17.244 -0.940 1.00 0.00 C ATOM 776 CG PRO A 52 19.323 16.210 0.167 1.00 0.00 C ATOM 777 CD PRO A 52 17.924 15.840 0.633 1.00 0.00 C ATOM 0 HA PRO A 52 17.363 18.223 -1.558 1.00 0.00 H new ATOM 0 HB2 PRO A 52 19.838 17.005 -1.780 1.00 0.00 H new ATOM 0 HB3 PRO A 52 19.471 18.235 -0.586 1.00 0.00 H new ATOM 0 HG2 PRO A 52 19.850 15.328 -0.197 1.00 0.00 H new ATOM 0 HG3 PRO A 52 19.908 16.612 0.995 1.00 0.00 H new ATOM 0 HD2 PRO A 52 17.755 14.766 0.563 1.00 0.00 H new ATOM 0 HD3 PRO A 52 17.767 16.120 1.675 1.00 0.00 H new ATOM 785 N ASP A 53 17.687 17.165 -3.769 1.00 0.00 N ATOM 786 CA ASP A 53 17.503 16.572 -5.082 1.00 0.00 C ATOM 787 C ASP A 53 18.365 15.313 -5.194 1.00 0.00 C ATOM 788 O ASP A 53 17.856 14.232 -5.486 1.00 0.00 O ATOM 789 CB ASP A 53 17.932 17.539 -6.188 1.00 0.00 C ATOM 790 CG ASP A 53 17.784 16.999 -7.612 1.00 0.00 C ATOM 791 OD1 ASP A 53 18.497 16.022 -7.926 1.00 0.00 O ATOM 792 OD2 ASP A 53 16.960 17.577 -8.354 1.00 0.00 O ATOM 0 H ASP A 53 17.969 18.145 -3.779 1.00 0.00 H new ATOM 0 HA ASP A 53 16.446 16.335 -5.200 1.00 0.00 H new ATOM 0 HB2 ASP A 53 17.344 18.453 -6.099 1.00 0.00 H new ATOM 0 HB3 ASP A 53 18.974 17.813 -6.026 1.00 0.00 H new ATOM 797 N HIS A 54 19.656 15.495 -4.957 1.00 0.00 N ATOM 798 CA HIS A 54 20.593 14.387 -5.027 1.00 0.00 C ATOM 799 C HIS A 54 19.972 13.148 -4.380 1.00 0.00 C ATOM 800 O HIS A 54 20.110 12.039 -4.896 1.00 0.00 O ATOM 801 CB HIS A 54 21.936 14.772 -4.404 1.00 0.00 C ATOM 802 CG HIS A 54 22.105 14.312 -2.975 1.00 0.00 C ATOM 803 ND1 HIS A 54 22.412 13.085 -2.464 1.00 0.00 N flip ATOM 804 CD2 HIS A 54 21.953 15.159 -1.892 1.00 0.00 C flip ATOM 805 CE1 HIS A 54 22.447 13.178 -1.141 1.00 0.00 C flip ATOM 806 NE2 HIS A 54 22.163 14.464 -0.784 1.00 0.00 N flip ATOM 0 H HIS A 54 20.075 16.393 -4.716 1.00 0.00 H new ATOM 0 HA HIS A 54 20.798 14.145 -6.070 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.739 14.350 -5.008 1.00 0.00 H new ATOM 0 HB3 HIS A 54 22.045 15.856 -4.441 1.00 0.00 H new ATOM 0 HD2 HIS A 54 21.705 16.209 -1.941 1.00 0.00 H new ATOM 0 HE1 HIS A 54 22.664 12.369 -0.459 1.00 0.00 H new ATOM 0 HE2 HIS A 54 22.120 14.826 0.168 1.00 0.00 H new ATOM 814 N ASN A 55 19.303 13.377 -3.260 1.00 0.00 N ATOM 815 CA ASN A 55 18.660 12.292 -2.537 1.00 0.00 C ATOM 816 C ASN A 55 17.317 12.777 -1.988 1.00 0.00 C ATOM 817 O ASN A 55 17.237 13.238 -0.850 1.00 0.00 O ATOM 818 CB ASN A 55 19.517 11.835 -1.355 1.00 0.00 C ATOM 819 CG ASN A 55 19.126 10.425 -0.908 1.00 0.00 C ATOM 820 OD1 ASN A 55 18.343 9.739 -1.544 1.00 0.00 O ATOM 821 ND2 ASN A 55 19.713 10.033 0.219 1.00 0.00 N ATOM 0 H ASN A 55 19.192 14.298 -2.835 1.00 0.00 H new ATOM 0 HA ASN A 55 18.524 11.460 -3.227 1.00 0.00 H new ATOM 0 HB2 ASN A 55 20.570 11.852 -1.636 1.00 0.00 H new ATOM 0 HB3 ASN A 55 19.397 12.530 -0.524 1.00 0.00 H new ATOM 0 HD21 ASN A 55 19.517 9.108 0.601 1.00 0.00 H new ATOM 0 HD22 ASN A 55 20.359 10.658 0.702 1.00 0.00 H new ATOM 828 N ARG A 56 16.294 12.656 -2.822 1.00 0.00 N ATOM 829 CA ARG A 56 14.959 13.076 -2.434 1.00 0.00 C ATOM 830 C ARG A 56 14.005 11.879 -2.433 1.00 0.00 C ATOM 831 O ARG A 56 14.367 10.793 -2.882 1.00 0.00 O ATOM 832 CB ARG A 56 14.420 14.147 -3.384 1.00 0.00 C ATOM 833 CG ARG A 56 14.075 13.546 -4.748 1.00 0.00 C ATOM 834 CD ARG A 56 13.371 14.573 -5.637 1.00 0.00 C ATOM 835 NE ARG A 56 14.294 15.048 -6.692 1.00 0.00 N ATOM 836 CZ ARG A 56 14.637 14.330 -7.769 1.00 0.00 C ATOM 837 NH1 ARG A 56 14.135 13.100 -7.942 1.00 0.00 N ATOM 838 NH2 ARG A 56 15.482 14.842 -8.675 1.00 0.00 N ATOM 0 H ARG A 56 16.364 12.273 -3.765 1.00 0.00 H new ATOM 0 HA ARG A 56 15.023 13.496 -1.430 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.533 14.609 -2.951 1.00 0.00 H new ATOM 0 HB3 ARG A 56 15.162 14.936 -3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 56 14.985 13.199 -5.237 1.00 0.00 H new ATOM 0 HG3 ARG A 56 13.433 12.675 -4.614 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.486 14.127 -6.091 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.031 15.415 -5.034 1.00 0.00 H new ATOM 0 HE ARG A 56 14.694 15.981 -6.592 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.491 12.710 -7.253 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.396 12.553 -8.762 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.864 15.779 -8.544 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.743 14.295 -9.495 1.00 0.00 H new ATOM 852 N SER A 57 12.806 12.119 -1.922 1.00 0.00 N ATOM 853 CA SER A 57 11.799 11.074 -1.857 1.00 0.00 C ATOM 854 C SER A 57 10.401 11.696 -1.820 1.00 0.00 C ATOM 855 O SER A 57 10.129 12.570 -0.998 1.00 0.00 O ATOM 856 CB SER A 57 12.013 10.178 -0.636 1.00 0.00 C ATOM 857 OG SER A 57 13.377 10.154 -0.224 1.00 0.00 O ATOM 0 H SER A 57 12.510 13.021 -1.550 1.00 0.00 H new ATOM 0 HA SER A 57 11.891 10.455 -2.749 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.392 10.532 0.187 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.687 9.164 -0.868 1.00 0.00 H new ATOM 0 HG SER A 57 13.472 9.572 0.559 1.00 0.00 H new ATOM 863 N PHE A 58 9.553 11.222 -2.720 1.00 0.00 N ATOM 864 CA PHE A 58 8.191 11.721 -2.801 1.00 0.00 C ATOM 865 C PHE A 58 7.292 11.029 -1.774 1.00 0.00 C ATOM 866 O PHE A 58 6.933 9.865 -1.943 1.00 0.00 O ATOM 867 CB PHE A 58 7.680 11.400 -4.207 1.00 0.00 C ATOM 868 CG PHE A 58 8.130 12.399 -5.275 1.00 0.00 C ATOM 869 CD1 PHE A 58 7.402 13.525 -5.503 1.00 0.00 C ATOM 870 CD2 PHE A 58 9.257 12.161 -5.998 1.00 0.00 C ATOM 871 CE1 PHE A 58 7.819 14.452 -6.494 1.00 0.00 C ATOM 872 CE2 PHE A 58 9.675 13.087 -6.989 1.00 0.00 C ATOM 873 CZ PHE A 58 8.947 14.214 -7.216 1.00 0.00 C ATOM 0 H PHE A 58 9.783 10.497 -3.400 1.00 0.00 H new ATOM 0 HA PHE A 58 8.174 12.792 -2.597 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.022 10.404 -4.488 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.591 11.369 -4.189 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.506 13.714 -4.930 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.835 11.266 -5.818 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.241 15.346 -6.675 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.570 12.897 -7.563 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.265 14.920 -7.969 1.00 0.00 H new ATOM 883 N ILE A 59 6.954 11.775 -0.733 1.00 0.00 N ATOM 884 CA ILE A 59 6.104 11.248 0.321 1.00 0.00 C ATOM 885 C ILE A 59 4.678 11.090 -0.211 1.00 0.00 C ATOM 886 O ILE A 59 3.932 12.065 -0.297 1.00 0.00 O ATOM 887 CB ILE A 59 6.199 12.122 1.573 1.00 0.00 C ATOM 888 CG1 ILE A 59 7.512 11.870 2.319 1.00 0.00 C ATOM 889 CG2 ILE A 59 4.980 11.922 2.476 1.00 0.00 C ATOM 890 CD1 ILE A 59 7.663 12.828 3.502 1.00 0.00 C ATOM 0 H ILE A 59 7.253 12.740 -0.597 1.00 0.00 H new ATOM 0 HA ILE A 59 6.444 10.258 0.625 1.00 0.00 H new ATOM 0 HB ILE A 59 6.200 13.166 1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.540 10.840 2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.352 11.995 1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.073 12.555 3.359 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.075 12.191 1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.922 10.878 2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.604 12.628 4.015 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.659 13.856 3.140 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.834 12.684 4.195 1.00 0.00 H new ATOM 902 N ALA A 60 4.342 9.855 -0.555 1.00 0.00 N ATOM 903 CA ALA A 60 3.019 9.557 -1.076 1.00 0.00 C ATOM 904 C ALA A 60 2.067 9.282 0.089 1.00 0.00 C ATOM 905 O ALA A 60 2.166 8.247 0.746 1.00 0.00 O ATOM 906 CB ALA A 60 3.107 8.379 -2.048 1.00 0.00 C ATOM 0 H ALA A 60 4.963 9.049 -0.483 1.00 0.00 H new ATOM 0 HA ALA A 60 2.624 10.408 -1.630 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.115 8.155 -2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.772 8.636 -2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.497 7.505 -1.526 1.00 0.00 H new ATOM 912 N GLU A 61 1.164 10.227 0.310 1.00 0.00 N ATOM 913 CA GLU A 61 0.195 10.100 1.385 1.00 0.00 C ATOM 914 C GLU A 61 -1.226 10.078 0.818 1.00 0.00 C ATOM 915 O GLU A 61 -1.525 10.782 -0.145 1.00 0.00 O ATOM 916 CB GLU A 61 0.359 11.225 2.408 1.00 0.00 C ATOM 917 CG GLU A 61 0.020 12.583 1.789 1.00 0.00 C ATOM 918 CD GLU A 61 0.499 13.728 2.684 1.00 0.00 C ATOM 919 OE1 GLU A 61 0.022 13.785 3.837 1.00 0.00 O ATOM 920 OE2 GLU A 61 1.333 14.520 2.193 1.00 0.00 O ATOM 0 H GLU A 61 1.083 11.084 -0.238 1.00 0.00 H new ATOM 0 HA GLU A 61 0.375 9.157 1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.289 11.040 3.265 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.383 11.237 2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.485 12.665 0.807 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.057 12.660 1.639 1.00 0.00 H new ATOM 927 N MET A 62 -2.064 9.261 1.439 1.00 0.00 N ATOM 928 CA MET A 62 -3.446 9.137 1.008 1.00 0.00 C ATOM 929 C MET A 62 -4.380 8.952 2.206 1.00 0.00 C ATOM 930 O MET A 62 -3.976 8.409 3.234 1.00 0.00 O ATOM 931 CB MET A 62 -3.582 7.941 0.065 1.00 0.00 C ATOM 932 CG MET A 62 -5.053 7.641 -0.232 1.00 0.00 C ATOM 933 SD MET A 62 -5.184 6.203 -1.282 1.00 0.00 S ATOM 934 CE MET A 62 -5.181 6.989 -2.885 1.00 0.00 C ATOM 0 H MET A 62 -1.812 8.678 2.237 1.00 0.00 H new ATOM 0 HA MET A 62 -3.728 10.053 0.489 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.054 8.146 -0.866 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.112 7.065 0.512 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.593 7.472 0.699 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.517 8.500 -0.718 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.239 6.228 -3.663 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.039 7.656 -2.965 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.263 7.563 -3.007 1.00 0.00 H new ATOM 944 N THR A 63 -5.610 9.413 2.034 1.00 0.00 N ATOM 945 CA THR A 63 -6.604 9.305 3.089 1.00 0.00 C ATOM 946 C THR A 63 -7.966 8.931 2.501 1.00 0.00 C ATOM 947 O THR A 63 -8.370 9.468 1.471 1.00 0.00 O ATOM 948 CB THR A 63 -6.617 10.625 3.863 1.00 0.00 C ATOM 949 OG1 THR A 63 -5.243 10.878 4.142 1.00 0.00 O ATOM 950 CG2 THR A 63 -7.259 10.486 5.245 1.00 0.00 C ATOM 0 H THR A 63 -5.941 9.862 1.180 1.00 0.00 H new ATOM 0 HA THR A 63 -6.356 8.505 3.787 1.00 0.00 H new ATOM 0 HB THR A 63 -7.154 11.378 3.287 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.992 10.434 4.979 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.243 11.451 5.752 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.290 10.151 5.135 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.702 9.757 5.833 1.00 0.00 H new ATOM 958 N ILE A 64 -8.636 8.013 3.182 1.00 0.00 N ATOM 959 CA ILE A 64 -9.944 7.561 2.740 1.00 0.00 C ATOM 960 C ILE A 64 -10.870 7.432 3.951 1.00 0.00 C ATOM 961 O ILE A 64 -10.407 7.225 5.072 1.00 0.00 O ATOM 962 CB ILE A 64 -9.819 6.274 1.922 1.00 0.00 C ATOM 963 CG1 ILE A 64 -8.767 5.341 2.526 1.00 0.00 C ATOM 964 CG2 ILE A 64 -9.533 6.585 0.452 1.00 0.00 C ATOM 965 CD1 ILE A 64 -8.904 3.924 1.965 1.00 0.00 C ATOM 0 H ILE A 64 -8.298 7.570 4.036 1.00 0.00 H new ATOM 0 HA ILE A 64 -10.394 8.294 2.070 1.00 0.00 H new ATOM 0 HB ILE A 64 -10.774 5.750 1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.770 5.725 2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.875 5.319 3.610 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.449 5.653 -0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.347 7.182 0.041 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.599 7.141 0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.145 3.281 2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.894 3.533 2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.771 3.946 0.883 1.00 0.00 H new ATOM 977 N TYR A 65 -12.162 7.559 3.685 1.00 0.00 N ATOM 978 CA TYR A 65 -13.157 7.459 4.740 1.00 0.00 C ATOM 979 C TYR A 65 -14.108 6.287 4.487 1.00 0.00 C ATOM 980 O TYR A 65 -14.540 6.066 3.356 1.00 0.00 O ATOM 981 CB TYR A 65 -13.952 8.765 4.694 1.00 0.00 C ATOM 982 CG TYR A 65 -15.195 8.768 5.586 1.00 0.00 C ATOM 983 CD1 TYR A 65 -16.338 8.110 5.179 1.00 0.00 C ATOM 984 CD2 TYR A 65 -15.173 9.428 6.798 1.00 0.00 C ATOM 985 CE1 TYR A 65 -17.508 8.113 6.019 1.00 0.00 C ATOM 986 CE2 TYR A 65 -16.343 9.431 7.637 1.00 0.00 C ATOM 987 CZ TYR A 65 -17.453 8.773 7.207 1.00 0.00 C ATOM 988 OH TYR A 65 -18.557 8.776 8.000 1.00 0.00 O ATOM 0 H TYR A 65 -12.543 7.730 2.754 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.678 7.295 5.705 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.300 9.586 4.993 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.255 8.958 3.665 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.355 7.593 4.231 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -14.278 9.942 7.117 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -18.409 7.603 5.712 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.339 9.945 8.587 1.00 0.00 H new ATOM 0 HH TYR A 65 -18.372 9.285 8.817 1.00 0.00 H new ATOM 998 N ILE A 66 -14.406 5.567 5.558 1.00 0.00 N ATOM 999 CA ILE A 66 -15.297 4.423 5.466 1.00 0.00 C ATOM 1000 C ILE A 66 -16.595 4.733 6.215 1.00 0.00 C ATOM 1001 O ILE A 66 -16.579 4.966 7.422 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.594 3.155 5.954 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -13.183 3.052 5.372 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.432 1.911 5.649 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -13.217 3.080 3.843 1.00 0.00 C ATOM 0 H ILE A 66 -14.046 5.753 6.494 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.565 4.231 4.427 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.492 3.217 7.037 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -12.573 3.876 5.741 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.712 2.130 5.712 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -14.909 1.024 6.006 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.397 1.990 6.150 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -15.588 1.832 4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.201 3.005 3.455 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -13.808 2.240 3.477 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -13.666 4.014 3.506 1.00 0.00 H new ATOM 1017 N LYS A 67 -17.689 4.725 5.466 1.00 0.00 N ATOM 1018 CA LYS A 67 -18.993 5.003 6.043 1.00 0.00 C ATOM 1019 C LYS A 67 -19.487 3.765 6.795 1.00 0.00 C ATOM 1020 O LYS A 67 -20.092 3.881 7.860 1.00 0.00 O ATOM 1021 CB LYS A 67 -19.962 5.496 4.967 1.00 0.00 C ATOM 1022 CG LYS A 67 -20.021 4.517 3.792 1.00 0.00 C ATOM 1023 CD LYS A 67 -19.660 5.214 2.479 1.00 0.00 C ATOM 1024 CE LYS A 67 -20.663 4.861 1.378 1.00 0.00 C ATOM 1025 NZ LYS A 67 -19.999 4.855 0.055 1.00 0.00 N ATOM 0 H LYS A 67 -17.698 4.530 4.465 1.00 0.00 H new ATOM 0 HA LYS A 67 -18.923 5.812 6.770 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -20.957 5.615 5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -19.648 6.478 4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -19.335 3.689 3.969 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -21.022 4.091 3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.643 6.294 2.629 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.657 4.920 2.170 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -21.101 3.883 1.576 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -21.481 5.582 1.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -20.693 4.614 -0.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -19.602 5.797 -0.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -19.234 4.150 0.054 1.00 0.00 H new ATOM 1039 N GLN A 68 -19.211 2.608 6.211 1.00 0.00 N ATOM 1040 CA GLN A 68 -19.620 1.350 6.812 1.00 0.00 C ATOM 1041 C GLN A 68 -18.966 1.180 8.185 1.00 0.00 C ATOM 1042 O GLN A 68 -19.416 0.371 8.995 1.00 0.00 O ATOM 1043 CB GLN A 68 -19.285 0.171 5.896 1.00 0.00 C ATOM 1044 CG GLN A 68 -17.792 0.142 5.562 1.00 0.00 C ATOM 1045 CD GLN A 68 -17.440 -1.095 4.733 1.00 0.00 C ATOM 1046 OE1 GLN A 68 -17.536 -1.106 3.517 1.00 0.00 O ATOM 1047 NE2 GLN A 68 -17.028 -2.132 5.456 1.00 0.00 N ATOM 0 H GLN A 68 -18.709 2.516 5.328 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.702 1.368 6.946 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.571 -0.763 6.380 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.866 0.244 4.976 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.521 1.043 5.011 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.209 0.145 6.483 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -16.971 -2.055 6.471 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.769 -3.004 4.995 1.00 0.00 H new ATOM 1056 N LEU A 69 -17.916 1.957 8.405 1.00 0.00 N ATOM 1057 CA LEU A 69 -17.196 1.903 9.666 1.00 0.00 C ATOM 1058 C LEU A 69 -17.544 3.138 10.500 1.00 0.00 C ATOM 1059 O LEU A 69 -17.666 3.052 11.721 1.00 0.00 O ATOM 1060 CB LEU A 69 -15.696 1.730 9.420 1.00 0.00 C ATOM 1061 CG LEU A 69 -15.277 0.442 8.707 1.00 0.00 C ATOM 1062 CD1 LEU A 69 -13.813 0.106 8.998 1.00 0.00 C ATOM 1063 CD2 LEU A 69 -16.214 -0.713 9.067 1.00 0.00 C ATOM 0 H LEU A 69 -17.546 2.628 7.731 1.00 0.00 H new ATOM 0 HA LEU A 69 -17.503 1.031 10.243 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -15.344 2.578 8.832 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.183 1.773 10.381 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.362 0.602 7.632 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.541 -0.813 8.480 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.177 0.920 8.651 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.677 -0.029 10.071 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.894 -1.616 8.547 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.184 -0.884 10.143 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -17.232 -0.463 8.767 1.00 0.00 H new ATOM 1075 N GLY A 70 -17.693 4.258 9.807 1.00 0.00 N ATOM 1076 CA GLY A 70 -18.024 5.508 10.469 1.00 0.00 C ATOM 1077 C GLY A 70 -16.762 6.319 10.772 1.00 0.00 C ATOM 1078 O GLY A 70 -16.820 7.322 11.482 1.00 0.00 O ATOM 0 H GLY A 70 -17.591 4.325 8.794 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.693 6.092 9.837 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.560 5.302 11.396 1.00 0.00 H new ATOM 1082 N ARG A 71 -15.652 5.854 10.219 1.00 0.00 N ATOM 1083 CA ARG A 71 -14.378 6.523 10.422 1.00 0.00 C ATOM 1084 C ARG A 71 -13.586 6.565 9.114 1.00 0.00 C ATOM 1085 O ARG A 71 -14.063 6.099 8.080 1.00 0.00 O ATOM 1086 CB ARG A 71 -13.546 5.813 11.492 1.00 0.00 C ATOM 1087 CG ARG A 71 -13.060 4.451 10.993 1.00 0.00 C ATOM 1088 CD ARG A 71 -12.295 3.707 12.089 1.00 0.00 C ATOM 1089 NE ARG A 71 -10.838 3.807 11.847 1.00 0.00 N ATOM 1090 CZ ARG A 71 -9.906 3.652 12.798 1.00 0.00 C ATOM 1091 NH1 ARG A 71 -10.273 3.390 14.059 1.00 0.00 N ATOM 1092 NH2 ARG A 71 -8.607 3.761 12.487 1.00 0.00 N ATOM 0 H ARG A 71 -15.608 5.022 9.630 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.587 7.539 10.757 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.690 6.432 11.763 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.143 5.682 12.395 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.912 3.853 10.669 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -12.417 4.587 10.123 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -12.540 4.128 13.064 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -12.598 2.660 12.109 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.524 4.006 10.897 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.262 3.308 14.296 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.564 3.272 14.783 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.328 3.962 11.527 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.898 3.643 13.211 1.00 0.00 H new ATOM 1106 N ARG A 72 -12.389 7.126 9.201 1.00 0.00 N ATOM 1107 CA ARG A 72 -11.526 7.234 8.037 1.00 0.00 C ATOM 1108 C ARG A 72 -10.083 6.893 8.412 1.00 0.00 C ATOM 1109 O ARG A 72 -9.664 7.114 9.548 1.00 0.00 O ATOM 1110 CB ARG A 72 -11.573 8.644 7.446 1.00 0.00 C ATOM 1111 CG ARG A 72 -11.397 9.702 8.537 1.00 0.00 C ATOM 1112 CD ARG A 72 -10.193 10.599 8.241 1.00 0.00 C ATOM 1113 NE ARG A 72 -9.384 10.781 9.467 1.00 0.00 N ATOM 1114 CZ ARG A 72 -9.718 11.600 10.474 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -10.847 12.319 10.406 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -8.924 11.701 11.548 1.00 0.00 N ATOM 0 H ARG A 72 -11.996 7.511 10.060 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.887 6.527 7.290 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.789 8.755 6.697 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.524 8.797 6.936 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.299 10.310 8.608 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.264 9.215 9.503 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.582 10.154 7.455 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.532 11.567 7.872 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.517 10.250 9.551 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.452 12.243 9.588 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.102 12.942 11.172 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.064 11.154 11.600 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.179 12.325 12.314 1.00 0.00 H new ATOM 1130 N ILE A 73 -9.361 6.360 7.437 1.00 0.00 N ATOM 1131 CA ILE A 73 -7.973 5.987 7.652 1.00 0.00 C ATOM 1132 C ILE A 73 -7.073 6.865 6.780 1.00 0.00 C ATOM 1133 O ILE A 73 -7.476 7.294 5.700 1.00 0.00 O ATOM 1134 CB ILE A 73 -7.780 4.487 7.419 1.00 0.00 C ATOM 1135 CG1 ILE A 73 -8.237 4.086 6.015 1.00 0.00 C ATOM 1136 CG2 ILE A 73 -8.482 3.669 8.505 1.00 0.00 C ATOM 1137 CD1 ILE A 73 -7.684 2.712 5.630 1.00 0.00 C ATOM 0 H ILE A 73 -9.711 6.178 6.496 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.686 6.165 8.688 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.715 4.266 7.486 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.326 4.068 5.974 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.903 4.832 5.293 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.329 2.606 8.316 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.068 3.927 9.480 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.549 3.890 8.494 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.024 2.451 4.628 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.595 2.740 5.648 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.039 1.965 6.340 1.00 0.00 H new ATOM 1149 N PHE A 74 -5.871 7.106 7.282 1.00 0.00 N ATOM 1150 CA PHE A 74 -4.910 7.925 6.563 1.00 0.00 C ATOM 1151 C PHE A 74 -3.570 7.200 6.419 1.00 0.00 C ATOM 1152 O PHE A 74 -3.235 6.341 7.233 1.00 0.00 O ATOM 1153 CB PHE A 74 -4.702 9.198 7.386 1.00 0.00 C ATOM 1154 CG PHE A 74 -3.443 9.981 7.013 1.00 0.00 C ATOM 1155 CD1 PHE A 74 -2.216 9.487 7.329 1.00 0.00 C ATOM 1156 CD2 PHE A 74 -3.550 11.173 6.366 1.00 0.00 C ATOM 1157 CE1 PHE A 74 -1.046 10.214 6.982 1.00 0.00 C ATOM 1158 CE2 PHE A 74 -2.380 11.900 6.020 1.00 0.00 C ATOM 1159 CZ PHE A 74 -1.153 11.406 6.335 1.00 0.00 C ATOM 0 H PHE A 74 -5.540 6.748 8.178 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.283 8.144 5.563 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.570 9.845 7.261 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.652 8.932 8.442 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.131 8.542 7.844 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.524 11.566 6.116 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.072 9.821 7.232 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.465 12.846 5.506 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.264 11.960 6.072 1.00 0.00 H new ATOM 1169 N ALA A 75 -2.841 7.574 5.378 1.00 0.00 N ATOM 1170 CA ALA A 75 -1.545 6.970 5.118 1.00 0.00 C ATOM 1171 C ALA A 75 -0.556 8.058 4.695 1.00 0.00 C ATOM 1172 O ALA A 75 -0.960 9.125 4.234 1.00 0.00 O ATOM 1173 CB ALA A 75 -1.695 5.876 4.059 1.00 0.00 C ATOM 0 H ALA A 75 -3.123 8.287 4.705 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.153 6.500 6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.723 5.423 3.864 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.385 5.113 4.419 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.084 6.312 3.138 1.00 0.00 H new ATOM 1179 N ARG A 76 0.722 7.752 4.868 1.00 0.00 N ATOM 1180 CA ARG A 76 1.771 8.691 4.510 1.00 0.00 C ATOM 1181 C ARG A 76 3.141 8.015 4.602 1.00 0.00 C ATOM 1182 O ARG A 76 3.776 8.032 5.656 1.00 0.00 O ATOM 1183 CB ARG A 76 1.752 9.915 5.428 1.00 0.00 C ATOM 1184 CG ARG A 76 2.732 10.983 4.938 1.00 0.00 C ATOM 1185 CD ARG A 76 3.783 11.293 6.006 1.00 0.00 C ATOM 1186 NE ARG A 76 3.558 12.647 6.560 1.00 0.00 N ATOM 1187 CZ ARG A 76 4.455 13.315 7.297 1.00 0.00 C ATOM 1188 NH1 ARG A 76 5.642 12.760 7.574 1.00 0.00 N ATOM 1189 NH2 ARG A 76 4.164 14.540 7.758 1.00 0.00 N ATOM 0 H ARG A 76 1.054 6.867 5.251 1.00 0.00 H new ATOM 0 HA ARG A 76 1.590 9.017 3.486 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.745 10.330 5.466 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.012 9.616 6.444 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.224 10.640 4.027 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.187 11.892 4.684 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.732 10.552 6.804 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.782 11.229 5.574 1.00 0.00 H new ATOM 0 HE ARG A 76 2.664 13.100 6.369 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.863 11.828 7.224 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.325 13.269 8.135 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.260 14.963 7.547 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.847 15.049 8.319 1.00 0.00 H new ATOM 1203 N GLU A 77 3.556 7.437 3.485 1.00 0.00 N ATOM 1204 CA GLU A 77 4.839 6.757 3.426 1.00 0.00 C ATOM 1205 C GLU A 77 5.852 7.601 2.650 1.00 0.00 C ATOM 1206 O GLU A 77 5.479 8.357 1.755 1.00 0.00 O ATOM 1207 CB GLU A 77 4.695 5.366 2.806 1.00 0.00 C ATOM 1208 CG GLU A 77 3.817 4.465 3.677 1.00 0.00 C ATOM 1209 CD GLU A 77 4.651 3.751 4.742 1.00 0.00 C ATOM 1210 OE1 GLU A 77 5.288 4.471 5.542 1.00 0.00 O ATOM 1211 OE2 GLU A 77 4.634 2.501 4.733 1.00 0.00 O ATOM 0 H GLU A 77 3.027 7.425 2.613 1.00 0.00 H new ATOM 0 HA GLU A 77 5.207 6.628 4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.260 5.451 1.810 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.680 4.914 2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.041 5.061 4.157 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.312 3.729 3.052 1.00 0.00 H new ATOM 1218 N HIS A 78 7.114 7.443 3.021 1.00 0.00 N ATOM 1219 CA HIS A 78 8.184 8.181 2.371 1.00 0.00 C ATOM 1220 C HIS A 78 8.866 7.288 1.333 1.00 0.00 C ATOM 1221 O HIS A 78 10.092 7.198 1.297 1.00 0.00 O ATOM 1222 CB HIS A 78 9.162 8.743 3.405 1.00 0.00 C ATOM 1223 CG HIS A 78 8.509 9.592 4.470 1.00 0.00 C ATOM 1224 ND1 HIS A 78 9.220 10.476 5.264 1.00 0.00 N ATOM 1225 CD2 HIS A 78 7.207 9.682 4.863 1.00 0.00 C ATOM 1226 CE1 HIS A 78 8.372 11.065 6.094 1.00 0.00 C ATOM 1227 NE2 HIS A 78 7.125 10.572 5.845 1.00 0.00 N ATOM 0 H HIS A 78 7.420 6.814 3.764 1.00 0.00 H new ATOM 0 HA HIS A 78 7.770 9.040 1.844 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.684 7.915 3.884 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.916 9.339 2.891 1.00 0.00 H new ATOM 0 HD1 HIS A 78 10.225 10.645 5.218 1.00 0.00 H new ATOM 0 HD2 HIS A 78 6.382 9.124 4.446 1.00 0.00 H new ATOM 0 HE1 HIS A 78 8.624 11.806 6.838 1.00 0.00 H new ATOM 1235 N GLY A 79 8.042 6.650 0.515 1.00 0.00 N ATOM 1236 CA GLY A 79 8.551 5.767 -0.521 1.00 0.00 C ATOM 1237 C GLY A 79 9.675 6.440 -1.311 1.00 0.00 C ATOM 1238 O GLY A 79 9.997 7.603 -1.072 1.00 0.00 O ATOM 0 H GLY A 79 7.025 6.727 0.548 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.920 4.846 -0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.742 5.489 -1.197 1.00 0.00 H new ATOM 1242 N SER A 80 10.242 5.679 -2.236 1.00 0.00 N ATOM 1243 CA SER A 80 11.323 6.187 -3.063 1.00 0.00 C ATOM 1244 C SER A 80 10.754 6.989 -4.235 1.00 0.00 C ATOM 1245 O SER A 80 10.920 8.206 -4.298 1.00 0.00 O ATOM 1246 CB SER A 80 12.204 5.048 -3.578 1.00 0.00 C ATOM 1247 OG SER A 80 13.451 5.522 -4.079 1.00 0.00 O ATOM 0 H SER A 80 9.973 4.715 -2.431 1.00 0.00 H new ATOM 0 HA SER A 80 11.943 6.842 -2.450 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.384 4.336 -2.772 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.677 4.510 -4.366 1.00 0.00 H new ATOM 0 HG SER A 80 13.985 4.764 -4.397 1.00 0.00 H new ATOM 1253 N ASN A 81 10.093 6.274 -5.134 1.00 0.00 N ATOM 1254 CA ASN A 81 9.498 6.905 -6.301 1.00 0.00 C ATOM 1255 C ASN A 81 7.977 6.935 -6.138 1.00 0.00 C ATOM 1256 O ASN A 81 7.440 6.377 -5.182 1.00 0.00 O ATOM 1257 CB ASN A 81 9.822 6.122 -7.575 1.00 0.00 C ATOM 1258 CG ASN A 81 9.160 4.742 -7.554 1.00 0.00 C ATOM 1259 OD1 ASN A 81 7.948 4.607 -7.566 1.00 0.00 O ATOM 1260 ND2 ASN A 81 10.021 3.730 -7.522 1.00 0.00 N ATOM 0 H ASN A 81 9.956 5.265 -5.078 1.00 0.00 H new ATOM 0 HA ASN A 81 9.904 7.913 -6.384 1.00 0.00 H new ATOM 0 HB2 ASN A 81 9.480 6.680 -8.446 1.00 0.00 H new ATOM 0 HB3 ASN A 81 10.902 6.010 -7.673 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.679 2.769 -7.506 1.00 0.00 H new ATOM 0 HD22 ASN A 81 11.024 3.914 -7.514 1.00 0.00 H new ATOM 1267 N LYS A 82 7.326 7.593 -7.086 1.00 0.00 N ATOM 1268 CA LYS A 82 5.877 7.703 -7.060 1.00 0.00 C ATOM 1269 C LYS A 82 5.266 6.309 -6.907 1.00 0.00 C ATOM 1270 O LYS A 82 4.561 6.039 -5.936 1.00 0.00 O ATOM 1271 CB LYS A 82 5.376 8.463 -8.290 1.00 0.00 C ATOM 1272 CG LYS A 82 5.442 9.975 -8.065 1.00 0.00 C ATOM 1273 CD LYS A 82 4.780 10.730 -9.219 1.00 0.00 C ATOM 1274 CE LYS A 82 4.104 12.009 -8.721 1.00 0.00 C ATOM 1275 NZ LYS A 82 4.166 13.065 -9.756 1.00 0.00 N ATOM 0 H LYS A 82 7.775 8.055 -7.877 1.00 0.00 H new ATOM 0 HA LYS A 82 5.555 8.288 -6.199 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.978 8.194 -9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.350 8.169 -8.510 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.947 10.229 -7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.482 10.287 -7.970 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.528 10.979 -9.972 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.043 10.089 -9.702 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.065 11.802 -8.466 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.593 12.355 -7.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.703 13.926 -9.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.160 13.274 -9.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.679 12.738 -10.615 1.00 0.00 H new ATOM 1289 N LYS A 83 5.559 5.459 -7.881 1.00 0.00 N ATOM 1290 CA LYS A 83 5.047 4.100 -7.866 1.00 0.00 C ATOM 1291 C LYS A 83 5.182 3.523 -6.456 1.00 0.00 C ATOM 1292 O LYS A 83 4.189 3.366 -5.748 1.00 0.00 O ATOM 1293 CB LYS A 83 5.733 3.257 -8.944 1.00 0.00 C ATOM 1294 CG LYS A 83 4.706 2.474 -9.764 1.00 0.00 C ATOM 1295 CD LYS A 83 5.154 2.342 -11.221 1.00 0.00 C ATOM 1296 CE LYS A 83 4.579 1.076 -11.859 1.00 0.00 C ATOM 1297 NZ LYS A 83 5.588 0.429 -12.728 1.00 0.00 N ATOM 0 H LYS A 83 6.144 5.686 -8.685 1.00 0.00 H new ATOM 0 HA LYS A 83 3.986 4.091 -8.114 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.312 3.904 -9.603 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.435 2.566 -8.478 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.568 1.483 -9.331 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.740 2.978 -9.721 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.831 3.217 -11.785 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.243 2.316 -11.269 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.262 0.382 -11.081 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.694 1.326 -12.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.181 -0.429 -13.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.871 1.088 -13.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.421 0.173 -12.161 1.00 0.00 H new ATOM 1311 N LEU A 84 6.420 3.224 -6.090 1.00 0.00 N ATOM 1312 CA LEU A 84 6.699 2.668 -4.776 1.00 0.00 C ATOM 1313 C LEU A 84 5.827 3.372 -3.735 1.00 0.00 C ATOM 1314 O LEU A 84 4.880 2.784 -3.214 1.00 0.00 O ATOM 1315 CB LEU A 84 8.197 2.737 -4.472 1.00 0.00 C ATOM 1316 CG LEU A 84 9.061 1.647 -5.108 1.00 0.00 C ATOM 1317 CD1 LEU A 84 10.549 1.958 -4.937 1.00 0.00 C ATOM 1318 CD2 LEU A 84 8.697 0.267 -4.556 1.00 0.00 C ATOM 0 H LEU A 84 7.241 3.356 -6.680 1.00 0.00 H new ATOM 0 HA LEU A 84 6.440 1.610 -4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.570 3.707 -4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.331 2.694 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 84 8.856 1.630 -6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 84 11.141 1.168 -5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.779 2.910 -5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.788 2.018 -3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.326 -0.490 -5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.855 0.253 -3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.650 0.053 -4.772 1.00 0.00 H new ATOM 1330 N ALA A 85 6.177 4.620 -3.462 1.00 0.00 N ATOM 1331 CA ALA A 85 5.437 5.409 -2.491 1.00 0.00 C ATOM 1332 C ALA A 85 3.950 5.062 -2.584 1.00 0.00 C ATOM 1333 O ALA A 85 3.388 4.474 -1.662 1.00 0.00 O ATOM 1334 CB ALA A 85 5.705 6.896 -2.733 1.00 0.00 C ATOM 0 H ALA A 85 6.963 5.105 -3.896 1.00 0.00 H new ATOM 0 HA ALA A 85 5.766 5.178 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.151 7.489 -2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.771 7.096 -2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.384 7.164 -3.740 1.00 0.00 H new ATOM 1340 N ALA A 86 3.356 5.441 -3.706 1.00 0.00 N ATOM 1341 CA ALA A 86 1.945 5.178 -3.931 1.00 0.00 C ATOM 1342 C ALA A 86 1.601 3.782 -3.406 1.00 0.00 C ATOM 1343 O ALA A 86 0.827 3.645 -2.460 1.00 0.00 O ATOM 1344 CB ALA A 86 1.628 5.334 -5.420 1.00 0.00 C ATOM 0 H ALA A 86 3.826 5.928 -4.469 1.00 0.00 H new ATOM 0 HA ALA A 86 1.330 5.896 -3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.569 5.137 -5.589 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.863 6.350 -5.738 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.225 4.627 -5.995 1.00 0.00 H new ATOM 1350 N GLN A 87 2.193 2.783 -4.042 1.00 0.00 N ATOM 1351 CA GLN A 87 1.960 1.403 -3.650 1.00 0.00 C ATOM 1352 C GLN A 87 1.884 1.289 -2.126 1.00 0.00 C ATOM 1353 O GLN A 87 0.838 0.947 -1.577 1.00 0.00 O ATOM 1354 CB GLN A 87 3.042 0.481 -4.216 1.00 0.00 C ATOM 1355 CG GLN A 87 2.490 -0.377 -5.356 1.00 0.00 C ATOM 1356 CD GLN A 87 3.462 -1.504 -5.714 1.00 0.00 C ATOM 1357 OE1 GLN A 87 3.245 -2.665 -5.409 1.00 0.00 O ATOM 1358 NE2 GLN A 87 4.542 -1.097 -6.375 1.00 0.00 N ATOM 0 H GLN A 87 2.834 2.901 -4.827 1.00 0.00 H new ATOM 0 HA GLN A 87 1.004 1.085 -4.066 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.880 1.077 -4.578 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.427 -0.163 -3.425 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.528 -0.800 -5.065 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.312 0.247 -6.232 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.661 -0.109 -6.598 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.251 -1.773 -6.659 1.00 0.00 H new ATOM 1367 N SER A 88 3.007 1.583 -1.487 1.00 0.00 N ATOM 1368 CA SER A 88 3.081 1.518 -0.037 1.00 0.00 C ATOM 1369 C SER A 88 1.860 2.202 0.581 1.00 0.00 C ATOM 1370 O SER A 88 1.183 1.623 1.429 1.00 0.00 O ATOM 1371 CB SER A 88 4.369 2.165 0.478 1.00 0.00 C ATOM 1372 OG SER A 88 5.458 1.247 0.492 1.00 0.00 O ATOM 0 H SER A 88 3.872 1.867 -1.946 1.00 0.00 H new ATOM 0 HA SER A 88 3.090 0.469 0.258 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.622 3.019 -0.151 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.205 2.548 1.485 1.00 0.00 H new ATOM 0 HG SER A 88 6.262 1.698 0.825 1.00 0.00 H new ATOM 1378 N CYS A 89 1.616 3.424 0.131 1.00 0.00 N ATOM 1379 CA CYS A 89 0.488 4.193 0.629 1.00 0.00 C ATOM 1380 C CYS A 89 -0.755 3.302 0.593 1.00 0.00 C ATOM 1381 O CYS A 89 -1.397 3.083 1.619 1.00 0.00 O ATOM 1382 CB CYS A 89 0.287 5.484 -0.167 1.00 0.00 C ATOM 1383 SG CYS A 89 -0.483 6.761 0.894 1.00 0.00 S ATOM 0 H CYS A 89 2.180 3.901 -0.573 1.00 0.00 H new ATOM 0 HA CYS A 89 0.682 4.503 1.656 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.245 5.842 -0.543 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.344 5.291 -1.035 1.00 0.00 H new ATOM 0 HG CYS A 89 0.174 6.850 2.012 1.00 0.00 H new ATOM 1389 N ALA A 90 -1.057 2.810 -0.600 1.00 0.00 N ATOM 1390 CA ALA A 90 -2.212 1.947 -0.783 1.00 0.00 C ATOM 1391 C ALA A 90 -2.183 0.835 0.267 1.00 0.00 C ATOM 1392 O ALA A 90 -3.047 0.780 1.141 1.00 0.00 O ATOM 1393 CB ALA A 90 -2.219 1.400 -2.212 1.00 0.00 C ATOM 0 H ALA A 90 -0.522 2.993 -1.449 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.136 2.508 -0.644 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.085 0.753 -2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.269 2.229 -2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.308 0.829 -2.387 1.00 0.00 H new ATOM 1399 N LEU A 91 -1.182 -0.024 0.146 1.00 0.00 N ATOM 1400 CA LEU A 91 -1.029 -1.131 1.074 1.00 0.00 C ATOM 1401 C LEU A 91 -1.373 -0.658 2.488 1.00 0.00 C ATOM 1402 O LEU A 91 -2.056 -1.359 3.233 1.00 0.00 O ATOM 1403 CB LEU A 91 0.368 -1.743 0.954 1.00 0.00 C ATOM 1404 CG LEU A 91 0.679 -2.898 1.908 1.00 0.00 C ATOM 1405 CD1 LEU A 91 -0.127 -4.146 1.539 1.00 0.00 C ATOM 1406 CD2 LEU A 91 2.182 -3.180 1.956 1.00 0.00 C ATOM 0 H LEU A 91 -0.468 0.024 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.725 -1.933 0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.501 -2.097 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.103 -0.955 1.117 1.00 0.00 H new ATOM 0 HG LEU A 91 0.375 -2.603 2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.113 -4.952 2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.192 -3.922 1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.124 -4.454 0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.376 -4.005 2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.534 -3.446 0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.708 -2.290 2.302 1.00 0.00 H new ATOM 1418 N SER A 92 -0.884 0.530 2.815 1.00 0.00 N ATOM 1419 CA SER A 92 -1.131 1.105 4.126 1.00 0.00 C ATOM 1420 C SER A 92 -2.631 1.090 4.430 1.00 0.00 C ATOM 1421 O SER A 92 -3.052 0.580 5.467 1.00 0.00 O ATOM 1422 CB SER A 92 -0.587 2.532 4.213 1.00 0.00 C ATOM 1423 OG SER A 92 0.662 2.669 3.539 1.00 0.00 O ATOM 0 H SER A 92 -0.318 1.109 2.195 1.00 0.00 H new ATOM 0 HA SER A 92 -0.610 0.500 4.868 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.310 3.223 3.780 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.467 2.811 5.260 1.00 0.00 H new ATOM 0 HG SER A 92 0.531 2.535 2.577 1.00 0.00 H new ATOM 1429 N LEU A 93 -3.395 1.655 3.508 1.00 0.00 N ATOM 1430 CA LEU A 93 -4.838 1.713 3.664 1.00 0.00 C ATOM 1431 C LEU A 93 -5.411 0.296 3.603 1.00 0.00 C ATOM 1432 O LEU A 93 -6.197 -0.098 4.463 1.00 0.00 O ATOM 1433 CB LEU A 93 -5.451 2.669 2.638 1.00 0.00 C ATOM 1434 CG LEU A 93 -4.980 4.123 2.711 1.00 0.00 C ATOM 1435 CD1 LEU A 93 -4.877 4.593 4.163 1.00 0.00 C ATOM 1436 CD2 LEU A 93 -3.665 4.312 1.952 1.00 0.00 C ATOM 0 H LEU A 93 -3.042 2.077 2.649 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.099 2.121 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.234 2.287 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.534 2.652 2.757 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.726 4.749 2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.540 5.629 4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.854 4.518 4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.163 3.967 4.698 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.352 5.354 2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.897 3.674 2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.807 4.043 0.905 1.00 0.00 H new ATOM 1448 N VAL A 94 -4.995 -0.432 2.577 1.00 0.00 N ATOM 1449 CA VAL A 94 -5.456 -1.798 2.392 1.00 0.00 C ATOM 1450 C VAL A 94 -5.384 -2.541 3.727 1.00 0.00 C ATOM 1451 O VAL A 94 -6.398 -3.025 4.228 1.00 0.00 O ATOM 1452 CB VAL A 94 -4.648 -2.478 1.285 1.00 0.00 C ATOM 1453 CG1 VAL A 94 -5.227 -3.854 0.951 1.00 0.00 C ATOM 1454 CG2 VAL A 94 -4.578 -1.595 0.037 1.00 0.00 C ATOM 0 H VAL A 94 -4.344 -0.102 1.865 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.497 -1.809 2.069 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.632 -2.622 1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.635 -4.316 0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.202 -4.485 1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.258 -3.743 0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.998 -2.101 -0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.586 -1.406 -0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.100 -0.648 0.288 1.00 0.00 H new ATOM 1464 N ARG A 95 -4.175 -2.609 4.266 1.00 0.00 N ATOM 1465 CA ARG A 95 -3.957 -3.286 5.533 1.00 0.00 C ATOM 1466 C ARG A 95 -5.015 -2.858 6.552 1.00 0.00 C ATOM 1467 O ARG A 95 -5.731 -3.696 7.098 1.00 0.00 O ATOM 1468 CB ARG A 95 -2.567 -2.975 6.091 1.00 0.00 C ATOM 1469 CG ARG A 95 -1.518 -3.927 5.511 1.00 0.00 C ATOM 1470 CD ARG A 95 -0.103 -3.407 5.771 1.00 0.00 C ATOM 1471 NE ARG A 95 0.879 -4.211 5.010 1.00 0.00 N ATOM 1472 CZ ARG A 95 1.200 -5.479 5.301 1.00 0.00 C ATOM 1473 NH1 ARG A 95 0.619 -6.095 6.340 1.00 0.00 N ATOM 1474 NH2 ARG A 95 2.102 -6.131 4.555 1.00 0.00 N ATOM 0 H ARG A 95 -3.336 -2.206 3.848 1.00 0.00 H new ATOM 0 HA ARG A 95 -4.033 -4.358 5.354 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.299 -1.945 5.855 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.580 -3.060 7.178 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.633 -4.916 5.955 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.677 -4.039 4.438 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.032 -2.359 5.479 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.122 -3.457 6.836 1.00 0.00 H new ATOM 0 HE ARG A 95 1.341 -3.772 4.213 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -0.067 -5.599 6.909 1.00 0.00 H new ATOM 0 HH12 ARG A 95 0.863 -7.060 6.562 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.545 -5.662 3.765 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.346 -7.096 4.777 1.00 0.00 H new ATOM 1488 N GLN A 96 -5.080 -1.554 6.777 1.00 0.00 N ATOM 1489 CA GLN A 96 -6.039 -1.004 7.721 1.00 0.00 C ATOM 1490 C GLN A 96 -7.450 -1.496 7.391 1.00 0.00 C ATOM 1491 O GLN A 96 -8.168 -1.968 8.270 1.00 0.00 O ATOM 1492 CB GLN A 96 -5.980 0.524 7.735 1.00 0.00 C ATOM 1493 CG GLN A 96 -5.071 1.028 8.858 1.00 0.00 C ATOM 1494 CD GLN A 96 -4.807 2.528 8.719 1.00 0.00 C ATOM 1495 OE1 GLN A 96 -5.020 3.309 9.632 1.00 0.00 O ATOM 1496 NE2 GLN A 96 -4.333 2.886 7.529 1.00 0.00 N ATOM 0 H GLN A 96 -4.484 -0.862 6.322 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.778 -1.353 8.720 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.612 0.886 6.775 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.984 0.929 7.865 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.534 0.825 9.824 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.126 0.485 8.837 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.178 2.181 6.809 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -4.125 3.866 7.337 1.00 0.00 H new ATOM 1505 N LEU A 97 -7.805 -1.368 6.120 1.00 0.00 N ATOM 1506 CA LEU A 97 -9.117 -1.793 5.663 1.00 0.00 C ATOM 1507 C LEU A 97 -9.384 -3.218 6.150 1.00 0.00 C ATOM 1508 O LEU A 97 -10.409 -3.482 6.777 1.00 0.00 O ATOM 1509 CB LEU A 97 -9.235 -1.628 4.147 1.00 0.00 C ATOM 1510 CG LEU A 97 -9.309 -0.189 3.632 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -8.914 -0.114 2.156 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -10.692 0.414 3.887 1.00 0.00 C ATOM 0 H LEU A 97 -7.206 -0.976 5.393 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.894 -1.159 6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.379 -2.116 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.126 -2.159 3.812 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.589 0.411 4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.975 0.919 1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.893 -0.477 2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.592 -0.731 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.718 1.437 3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.448 -0.180 3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.897 0.415 4.958 1.00 0.00 H new ATOM 1524 N TYR A 98 -8.445 -4.101 5.842 1.00 0.00 N ATOM 1525 CA TYR A 98 -8.566 -5.493 6.240 1.00 0.00 C ATOM 1526 C TYR A 98 -8.700 -5.619 7.759 1.00 0.00 C ATOM 1527 O TYR A 98 -9.692 -6.150 8.257 1.00 0.00 O ATOM 1528 CB TYR A 98 -7.270 -6.173 5.796 1.00 0.00 C ATOM 1529 CG TYR A 98 -6.961 -7.472 6.544 1.00 0.00 C ATOM 1530 CD1 TYR A 98 -7.699 -8.609 6.286 1.00 0.00 C ATOM 1531 CD2 TYR A 98 -5.944 -7.506 7.476 1.00 0.00 C ATOM 1532 CE1 TYR A 98 -7.408 -9.831 6.990 1.00 0.00 C ATOM 1533 CE2 TYR A 98 -5.653 -8.728 8.180 1.00 0.00 C ATOM 1534 CZ TYR A 98 -6.399 -9.830 7.902 1.00 0.00 C ATOM 1535 OH TYR A 98 -6.124 -10.984 8.567 1.00 0.00 O ATOM 0 H TYR A 98 -7.597 -3.879 5.321 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.450 -5.945 5.791 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.331 -6.386 4.729 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -6.441 -5.479 5.936 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -8.495 -8.582 5.556 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -5.366 -6.616 7.677 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.978 -10.728 6.798 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -4.860 -8.768 8.912 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.379 -10.835 9.186 1.00 0.00 H new ATOM 1545 N HIS A 99 -7.687 -5.122 8.454 1.00 0.00 N ATOM 1546 CA HIS A 99 -7.679 -5.173 9.906 1.00 0.00 C ATOM 1547 C HIS A 99 -9.034 -4.707 10.443 1.00 0.00 C ATOM 1548 O HIS A 99 -9.758 -5.481 11.067 1.00 0.00 O ATOM 1549 CB HIS A 99 -6.508 -4.366 10.471 1.00 0.00 C ATOM 1550 CG HIS A 99 -6.923 -3.243 11.391 1.00 0.00 C ATOM 1551 ND1 HIS A 99 -7.790 -3.426 12.454 1.00 0.00 N ATOM 1552 CD2 HIS A 99 -6.581 -1.923 11.396 1.00 0.00 C ATOM 1553 CE1 HIS A 99 -7.956 -2.262 13.064 1.00 0.00 C ATOM 1554 NE2 HIS A 99 -7.206 -1.331 12.407 1.00 0.00 N ATOM 0 H HIS A 99 -6.866 -4.682 8.038 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.530 -6.201 10.237 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -5.844 -5.039 11.013 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -5.934 -3.950 9.643 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.915 -1.441 10.696 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.576 -2.082 13.930 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.137 -0.343 12.652 1.00 0.00 H new ATOM 1562 N LEU A 100 -9.335 -3.443 10.182 1.00 0.00 N ATOM 1563 CA LEU A 100 -10.590 -2.865 10.631 1.00 0.00 C ATOM 1564 C LEU A 100 -11.735 -3.827 10.307 1.00 0.00 C ATOM 1565 O LEU A 100 -12.549 -4.143 11.174 1.00 0.00 O ATOM 1566 CB LEU A 100 -10.777 -1.466 10.041 1.00 0.00 C ATOM 1567 CG LEU A 100 -10.059 -0.329 10.771 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -9.812 0.854 9.833 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -10.826 0.086 12.028 1.00 0.00 C ATOM 0 H LEU A 100 -8.731 -2.803 9.665 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.582 -2.731 11.713 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.434 -1.481 9.006 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.843 -1.242 10.020 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.084 -0.692 11.095 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.301 1.649 10.376 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.194 0.531 8.995 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.765 1.226 9.458 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.294 0.896 12.528 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.824 0.425 11.750 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.907 -0.766 12.703 1.00 0.00 H new ATOM 1581 N GLY A 101 -11.761 -4.266 9.058 1.00 0.00 N ATOM 1582 CA GLY A 101 -12.792 -5.186 8.609 1.00 0.00 C ATOM 1583 C GLY A 101 -13.563 -4.607 7.421 1.00 0.00 C ATOM 1584 O GLY A 101 -14.784 -4.462 7.479 1.00 0.00 O ATOM 0 H GLY A 101 -11.084 -4.002 8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.339 -6.136 8.325 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.481 -5.394 9.428 1.00 0.00 H new ATOM 1588 N VAL A 102 -12.820 -4.292 6.370 1.00 0.00 N ATOM 1589 CA VAL A 102 -13.418 -3.733 5.170 1.00 0.00 C ATOM 1590 C VAL A 102 -13.184 -4.686 3.997 1.00 0.00 C ATOM 1591 O VAL A 102 -14.109 -4.988 3.243 1.00 0.00 O ATOM 1592 CB VAL A 102 -12.869 -2.327 4.918 1.00 0.00 C ATOM 1593 CG1 VAL A 102 -13.338 -1.790 3.564 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -13.257 -1.375 6.050 1.00 0.00 C ATOM 0 H VAL A 102 -11.808 -4.414 6.325 1.00 0.00 H new ATOM 0 HA VAL A 102 -14.496 -3.629 5.293 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.781 -2.392 4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -12.934 -0.790 3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -12.988 -2.449 2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -14.427 -1.748 3.547 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.854 -0.383 5.845 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.343 -1.318 6.121 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.851 -1.745 6.992 1.00 0.00 H new ATOM 1604 N ILE A 103 -11.943 -5.134 3.878 1.00 0.00 N ATOM 1605 CA ILE A 103 -11.575 -6.047 2.809 1.00 0.00 C ATOM 1606 C ILE A 103 -11.420 -7.458 3.380 1.00 0.00 C ATOM 1607 O ILE A 103 -11.689 -7.688 4.558 1.00 0.00 O ATOM 1608 CB ILE A 103 -10.332 -5.540 2.075 1.00 0.00 C ATOM 1609 CG1 ILE A 103 -9.244 -5.119 3.066 1.00 0.00 C ATOM 1610 CG2 ILE A 103 -10.690 -4.413 1.104 1.00 0.00 C ATOM 1611 CD1 ILE A 103 -7.938 -4.793 2.339 1.00 0.00 C ATOM 0 H ILE A 103 -11.179 -4.882 4.505 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.364 -6.092 2.058 1.00 0.00 H new ATOM 0 HB ILE A 103 -9.928 -6.360 1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.578 -4.248 3.630 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -9.074 -5.919 3.786 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.789 -4.071 0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.405 -4.780 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -11.132 -3.584 1.656 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.181 -4.497 3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.594 -5.673 1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.106 -3.976 1.637 1.00 0.00 H new ATOM 1623 N GLU A 104 -10.988 -8.366 2.517 1.00 0.00 N ATOM 1624 CA GLU A 104 -10.794 -9.748 2.921 1.00 0.00 C ATOM 1625 C GLU A 104 -9.516 -10.310 2.294 1.00 0.00 C ATOM 1626 O GLU A 104 -9.177 -9.975 1.160 1.00 0.00 O ATOM 1627 CB GLU A 104 -12.007 -10.603 2.551 1.00 0.00 C ATOM 1628 CG GLU A 104 -12.299 -10.520 1.051 1.00 0.00 C ATOM 1629 CD GLU A 104 -13.376 -11.529 0.646 1.00 0.00 C ATOM 1630 OE1 GLU A 104 -13.141 -12.734 0.880 1.00 0.00 O ATOM 1631 OE2 GLU A 104 -14.409 -11.073 0.111 1.00 0.00 O ATOM 0 H GLU A 104 -10.767 -8.172 1.540 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.687 -9.777 4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.825 -11.640 2.833 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.878 -10.268 3.114 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.625 -9.512 0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.386 -10.712 0.488 1.00 0.00 H new