USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 964 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 56 MET CE :methyl -115:sc= -0.403 (180deg=-1.41) USER MOD Set 1.2: A 123 MET CE :methyl 156:sc= -1.38 (180deg=-3.11!) USER MOD Set 1.3: A 133 TYR OH : rot -165:sc= -0.55 USER MOD Set 2.1: A 91 GLN : amide:sc= -3.3! K(o=-8.3!,f=-1.2) USER MOD Set 2.2: A 95 ASN : amide:sc= -5.03! K(o=-8.3!,f=-0.22) USER MOD Set 3.1: A 33 SER OG : rot 87:sc= 1.21 USER MOD Set 3.2: A 75 HIS : no HE2:sc= -2.87 K(o=-1.7,f=-2.3!) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 25 SER OG : rot 167:sc= -0.492 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.484 X(o=-0.48,f=-0.13) USER MOD Single : A 38 LYS NZ :NH3+ 156:sc= -0.043 (180deg=-0.329) USER MOD Single : A 45 THR OG1 : rot -126:sc= 0.0263 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.111 K(o=-0.11,f=-2.9!) USER MOD Single : A 59 GLN : amide:sc= -0.107 K(o=-0.11,f=-0.86) USER MOD Single : A 62 GLN : amide:sc= -0.273 K(o=-0.27,f=-3.3!) USER MOD Single : A 63 SER OG : rot -83:sc= 0.971 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -136:sc= 0.499 (180deg=-0.0746) USER MOD Single : A 68 HIS : no HD1:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.304 X(o=-0.3,f=-0.16) USER MOD Single : A 76 MET CE :methyl -156:sc= -0.13 (180deg=-1.29) USER MOD Single : A 83 GLN : amide:sc= -0.0493 K(o=-0.049,f=-2.5!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -1.63 K(o=-1.6,f=-0.36) USER MOD Single : A 86 HIS : no HE2:sc= -1.33 K(o=-1.3,f=-2.9!) USER MOD Single : A 87 GLN : amide:sc= -0.619 K(o=-0.62,f=0.0024) USER MOD Single : A 93 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.29) USER MOD Single : A 94 LYS NZ :NH3+ -154:sc= -1.52 (180deg=-1.57) USER MOD Single : A 96 GLN : amide:sc= -0.208 K(o=-0.21,f=-0.94) USER MOD Single : A 99 LYS NZ :NH3+ -153:sc= 0.676 (180deg=-0.0213) USER MOD Single : A 101 GLN : amide:sc=-0.00495 K(o=-0.005,f=-1.4) USER MOD Single : A 102 TYR OH : rot 9:sc= -1.36 USER MOD Single : A 103 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00834) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 GLN : amide:sc= -1.3 K(o=-1.3,f=0) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 308 N LEU A 21 131.752 15.088 2.071 1.00 1.00 N ATOM 309 CA LEU A 21 130.312 15.034 2.280 1.00 1.00 C ATOM 310 C LEU A 21 129.971 14.011 3.350 1.00 1.00 C ATOM 311 O LEU A 21 130.500 12.902 3.380 1.00 1.00 O ATOM 312 CB LEU A 21 129.615 14.663 0.972 1.00 1.00 C ATOM 313 CG LEU A 21 128.099 14.935 1.078 1.00 1.00 C ATOM 314 CD1 LEU A 21 127.809 16.437 0.911 1.00 1.00 C ATOM 315 CD2 LEU A 21 127.336 14.172 -0.018 1.00 1.00 C ATOM 0 HA LEU A 21 129.968 16.015 2.609 1.00 1.00 H new ATOM 0 HB2 LEU A 21 130.038 15.240 0.150 1.00 1.00 H new ATOM 0 HB3 LEU A 21 129.788 13.611 0.745 1.00 1.00 H new ATOM 0 HG LEU A 21 127.770 14.599 2.061 1.00 1.00 H new ATOM 0 HD11 LEU A 21 126.736 16.611 0.988 1.00 1.00 H new ATOM 0 HD12 LEU A 21 128.325 16.996 1.692 1.00 1.00 H new ATOM 0 HD13 LEU A 21 128.161 16.769 -0.066 1.00 1.00 H new ATOM 0 HD21 LEU A 21 126.269 14.376 0.072 1.00 1.00 H new ATOM 0 HD22 LEU A 21 127.686 14.497 -0.998 1.00 1.00 H new ATOM 0 HD23 LEU A 21 127.512 13.102 0.094 1.00 1.00 H new ATOM 327 N GLN A 22 129.066 14.419 4.219 1.00 1.00 N ATOM 328 CA GLN A 22 128.620 13.563 5.303 1.00 1.00 C ATOM 329 C GLN A 22 127.287 12.931 4.943 1.00 1.00 C ATOM 330 O GLN A 22 126.248 13.590 4.979 1.00 1.00 O ATOM 331 CB GLN A 22 128.476 14.395 6.568 1.00 1.00 C ATOM 332 CG GLN A 22 129.840 14.975 6.920 1.00 1.00 C ATOM 333 CD GLN A 22 129.723 15.895 8.128 1.00 1.00 C ATOM 334 OE1 GLN A 22 128.656 15.996 8.732 1.00 1.00 O ATOM 335 NE2 GLN A 22 130.763 16.578 8.517 1.00 1.00 N ATOM 0 H GLN A 22 128.625 15.338 4.196 1.00 1.00 H new ATOM 0 HA GLN A 22 129.351 12.772 5.470 1.00 1.00 H new ATOM 0 HB2 GLN A 22 127.752 15.195 6.415 1.00 1.00 H new ATOM 0 HB3 GLN A 22 128.103 13.779 7.386 1.00 1.00 H new ATOM 0 HG2 GLN A 22 130.542 14.169 7.134 1.00 1.00 H new ATOM 0 HG3 GLN A 22 130.239 15.528 6.070 1.00 1.00 H new ATOM 0 HE21 GLN A 22 131.646 16.492 8.014 1.00 1.00 H new ATOM 0 HE22 GLN A 22 130.693 17.198 9.324 1.00 1.00 H new ATOM 344 N TRP A 23 127.314 11.646 4.615 1.00 1.00 N ATOM 345 CA TRP A 23 126.087 10.947 4.275 1.00 1.00 C ATOM 346 C TRP A 23 125.303 10.653 5.551 1.00 1.00 C ATOM 347 O TRP A 23 125.852 10.181 6.547 1.00 1.00 O ATOM 348 CB TRP A 23 126.415 9.634 3.555 1.00 1.00 C ATOM 349 CG TRP A 23 127.227 9.919 2.330 1.00 1.00 C ATOM 350 CD1 TRP A 23 126.893 10.803 1.361 1.00 1.00 C ATOM 351 CD2 TRP A 23 128.502 9.336 1.926 1.00 1.00 C ATOM 352 NE1 TRP A 23 127.880 10.796 0.391 1.00 1.00 N ATOM 353 CE2 TRP A 23 128.889 9.910 0.694 1.00 1.00 C ATOM 354 CE3 TRP A 23 129.351 8.372 2.503 1.00 1.00 C ATOM 355 CZ2 TRP A 23 130.070 9.547 0.055 1.00 1.00 C ATOM 356 CZ3 TRP A 23 130.547 8.003 1.861 1.00 1.00 C ATOM 357 CH2 TRP A 23 130.905 8.590 0.638 1.00 1.00 C ATOM 0 H TRP A 23 128.159 11.076 4.578 1.00 1.00 H new ATOM 0 HA TRP A 23 125.487 11.572 3.614 1.00 1.00 H new ATOM 0 HB2 TRP A 23 126.966 8.970 4.222 1.00 1.00 H new ATOM 0 HB3 TRP A 23 125.494 9.119 3.281 1.00 1.00 H new ATOM 0 HD1 TRP A 23 126.002 11.414 1.347 1.00 1.00 H new ATOM 0 HE1 TRP A 23 127.862 11.377 -0.447 1.00 1.00 H new ATOM 0 HE3 TRP A 23 129.082 7.914 3.443 1.00 1.00 H new ATOM 0 HZ2 TRP A 23 130.340 10.002 -0.886 1.00 1.00 H new ATOM 0 HZ3 TRP A 23 131.193 7.264 2.312 1.00 1.00 H new ATOM 0 HH2 TRP A 23 131.824 8.303 0.148 1.00 1.00 H new ATOM 368 N GLU A 24 124.003 10.916 5.485 1.00 1.00 N ATOM 369 CA GLU A 24 123.106 10.662 6.606 1.00 1.00 C ATOM 370 C GLU A 24 121.992 9.732 6.145 1.00 1.00 C ATOM 371 O GLU A 24 121.810 9.527 4.944 1.00 1.00 O ATOM 372 CB GLU A 24 122.517 11.975 7.131 1.00 1.00 C ATOM 373 CG GLU A 24 123.608 12.787 7.833 1.00 1.00 C ATOM 374 CD GLU A 24 123.055 14.143 8.263 1.00 1.00 C ATOM 375 OE1 GLU A 24 121.901 14.410 7.970 1.00 1.00 O ATOM 376 OE2 GLU A 24 123.795 14.896 8.875 1.00 1.00 O ATOM 0 H GLU A 24 123.545 11.307 4.662 1.00 1.00 H new ATOM 0 HA GLU A 24 123.664 10.194 7.417 1.00 1.00 H new ATOM 0 HB2 GLU A 24 122.096 12.551 6.307 1.00 1.00 H new ATOM 0 HB3 GLU A 24 121.702 11.767 7.824 1.00 1.00 H new ATOM 0 HG2 GLU A 24 123.975 12.242 8.703 1.00 1.00 H new ATOM 0 HG3 GLU A 24 124.456 12.927 7.163 1.00 1.00 H new ATOM 383 N SER A 25 121.249 9.162 7.088 1.00 1.00 N ATOM 384 CA SER A 25 120.178 8.266 6.714 1.00 1.00 C ATOM 385 C SER A 25 118.950 9.073 6.342 1.00 1.00 C ATOM 386 O SER A 25 118.829 10.242 6.704 1.00 1.00 O ATOM 387 CB SER A 25 119.844 7.311 7.854 1.00 1.00 C ATOM 388 OG SER A 25 118.880 7.917 8.696 1.00 1.00 O ATOM 0 H SER A 25 121.369 9.304 8.091 1.00 1.00 H new ATOM 0 HA SER A 25 120.502 7.675 5.858 1.00 1.00 H new ATOM 0 HB2 SER A 25 119.460 6.371 7.457 1.00 1.00 H new ATOM 0 HB3 SER A 25 120.744 7.073 8.422 1.00 1.00 H new ATOM 0 HG SER A 25 118.506 7.244 9.303 1.00 1.00 H new ATOM 394 N TYR A 26 118.038 8.440 5.635 1.00 1.00 N ATOM 395 CA TYR A 26 116.817 9.100 5.233 1.00 1.00 C ATOM 396 C TYR A 26 116.023 9.508 6.462 1.00 1.00 C ATOM 397 O TYR A 26 115.484 10.612 6.538 1.00 1.00 O ATOM 398 CB TYR A 26 115.993 8.150 4.371 1.00 1.00 C ATOM 399 CG TYR A 26 114.638 8.746 4.093 1.00 1.00 C ATOM 400 CD1 TYR A 26 114.462 9.613 3.011 1.00 1.00 C ATOM 401 CD2 TYR A 26 113.553 8.410 4.908 1.00 1.00 C ATOM 402 CE1 TYR A 26 113.199 10.151 2.744 1.00 1.00 C ATOM 403 CE2 TYR A 26 112.286 8.942 4.639 1.00 1.00 C ATOM 404 CZ TYR A 26 112.109 9.813 3.555 1.00 1.00 C ATOM 405 OH TYR A 26 110.861 10.339 3.290 1.00 1.00 O ATOM 0 H TYR A 26 118.120 7.471 5.328 1.00 1.00 H new ATOM 0 HA TYR A 26 117.057 9.994 4.658 1.00 1.00 H new ATOM 0 HB2 TYR A 26 116.512 7.955 3.433 1.00 1.00 H new ATOM 0 HB3 TYR A 26 115.880 7.192 4.878 1.00 1.00 H new ATOM 0 HD1 TYR A 26 115.301 9.868 2.381 1.00 1.00 H new ATOM 0 HD2 TYR A 26 113.692 7.741 5.744 1.00 1.00 H new ATOM 0 HE1 TYR A 26 113.065 10.827 1.912 1.00 1.00 H new ATOM 0 HE2 TYR A 26 111.446 8.682 5.266 1.00 1.00 H new ATOM 0 HH TYR A 26 110.217 10.001 3.947 1.00 1.00 H new ATOM 415 N ALA A 27 115.974 8.591 7.423 1.00 1.00 N ATOM 416 CA ALA A 27 115.253 8.829 8.663 1.00 1.00 C ATOM 417 C ALA A 27 115.939 9.910 9.463 1.00 1.00 C ATOM 418 O ALA A 27 115.294 10.739 10.105 1.00 1.00 O ATOM 419 CB ALA A 27 115.178 7.546 9.493 1.00 1.00 C ATOM 0 H ALA A 27 116.425 7.678 7.365 1.00 1.00 H new ATOM 0 HA ALA A 27 114.241 9.150 8.416 1.00 1.00 H new ATOM 0 HB1 ALA A 27 114.635 7.742 10.418 1.00 1.00 H new ATOM 0 HB2 ALA A 27 114.659 6.774 8.924 1.00 1.00 H new ATOM 0 HB3 ALA A 27 116.186 7.206 9.729 1.00 1.00 H new ATOM 425 N GLU A 28 117.251 9.886 9.426 1.00 1.00 N ATOM 426 CA GLU A 28 118.046 10.851 10.151 1.00 1.00 C ATOM 427 C GLU A 28 117.906 12.236 9.547 1.00 1.00 C ATOM 428 O GLU A 28 117.841 13.236 10.263 1.00 1.00 O ATOM 429 CB GLU A 28 119.503 10.418 10.108 1.00 1.00 C ATOM 430 CG GLU A 28 119.717 9.257 11.077 1.00 1.00 C ATOM 431 CD GLU A 28 121.111 8.668 10.883 1.00 1.00 C ATOM 432 OE1 GLU A 28 121.853 9.209 10.081 1.00 1.00 O ATOM 433 OE2 GLU A 28 121.413 7.685 11.539 1.00 1.00 O ATOM 0 H GLU A 28 117.794 9.203 8.897 1.00 1.00 H new ATOM 0 HA GLU A 28 117.695 10.895 11.182 1.00 1.00 H new ATOM 0 HB2 GLU A 28 119.774 10.116 9.096 1.00 1.00 H new ATOM 0 HB3 GLU A 28 120.150 11.253 10.376 1.00 1.00 H new ATOM 0 HG2 GLU A 28 119.599 9.603 12.104 1.00 1.00 H new ATOM 0 HG3 GLU A 28 118.962 8.489 10.910 1.00 1.00 H new ATOM 440 N ALA A 29 117.870 12.293 8.225 1.00 1.00 N ATOM 441 CA ALA A 29 117.751 13.555 7.519 1.00 1.00 C ATOM 442 C ALA A 29 116.492 14.302 7.896 1.00 1.00 C ATOM 443 O ALA A 29 116.519 15.507 8.139 1.00 1.00 O ATOM 444 CB ALA A 29 117.670 13.273 6.031 1.00 1.00 C ATOM 0 H ALA A 29 117.922 11.475 7.618 1.00 1.00 H new ATOM 0 HA ALA A 29 118.618 14.160 7.783 1.00 1.00 H new ATOM 0 HB1 ALA A 29 117.580 14.213 5.487 1.00 1.00 H new ATOM 0 HB2 ALA A 29 118.572 12.753 5.710 1.00 1.00 H new ATOM 0 HB3 ALA A 29 116.799 12.650 5.826 1.00 1.00 H new ATOM 450 N LEU A 30 115.389 13.587 7.910 1.00 1.00 N ATOM 451 CA LEU A 30 114.122 14.200 8.217 1.00 1.00 C ATOM 452 C LEU A 30 114.123 14.701 9.641 1.00 1.00 C ATOM 453 O LEU A 30 113.650 15.789 9.925 1.00 1.00 O ATOM 454 CB LEU A 30 112.998 13.190 8.023 1.00 1.00 C ATOM 455 CG LEU A 30 112.952 12.758 6.558 1.00 1.00 C ATOM 456 CD1 LEU A 30 112.358 11.361 6.464 1.00 1.00 C ATOM 457 CD2 LEU A 30 112.062 13.715 5.760 1.00 1.00 C ATOM 0 H LEU A 30 115.346 12.587 7.713 1.00 1.00 H new ATOM 0 HA LEU A 30 113.963 15.043 7.545 1.00 1.00 H new ATOM 0 HB2 LEU A 30 113.158 12.323 8.664 1.00 1.00 H new ATOM 0 HB3 LEU A 30 112.044 13.630 8.314 1.00 1.00 H new ATOM 0 HG LEU A 30 113.964 12.770 6.154 1.00 1.00 H new ATOM 0 HD11 LEU A 30 112.324 11.050 5.420 1.00 1.00 H new ATOM 0 HD12 LEU A 30 112.976 10.664 7.030 1.00 1.00 H new ATOM 0 HD13 LEU A 30 111.348 11.367 6.874 1.00 1.00 H new ATOM 0 HD21 LEU A 30 112.034 13.401 4.717 1.00 1.00 H new ATOM 0 HD22 LEU A 30 111.052 13.701 6.171 1.00 1.00 H new ATOM 0 HD23 LEU A 30 112.465 14.726 5.824 1.00 1.00 H new ATOM 469 N GLU A 31 114.680 13.907 10.536 1.00 1.00 N ATOM 470 CA GLU A 31 114.737 14.272 11.922 1.00 1.00 C ATOM 471 C GLU A 31 115.445 15.578 12.095 1.00 1.00 C ATOM 472 O GLU A 31 114.999 16.457 12.827 1.00 1.00 O ATOM 473 CB GLU A 31 115.487 13.201 12.705 1.00 1.00 C ATOM 474 CG GLU A 31 114.484 12.373 13.476 1.00 1.00 C ATOM 475 CD GLU A 31 115.182 11.207 14.169 1.00 1.00 C ATOM 476 OE1 GLU A 31 116.400 11.173 14.147 1.00 1.00 O ATOM 477 OE2 GLU A 31 114.486 10.360 14.704 1.00 1.00 O ATOM 0 H GLU A 31 115.099 13.003 10.318 1.00 1.00 H new ATOM 0 HA GLU A 31 113.716 14.365 12.293 1.00 1.00 H new ATOM 0 HB2 GLU A 31 116.058 12.567 12.027 1.00 1.00 H new ATOM 0 HB3 GLU A 31 116.201 13.662 13.388 1.00 1.00 H new ATOM 0 HG2 GLU A 31 113.980 12.995 14.215 1.00 1.00 H new ATOM 0 HG3 GLU A 31 113.716 11.996 12.800 1.00 1.00 H new ATOM 484 N HIS A 32 116.558 15.697 11.413 1.00 1.00 N ATOM 485 CA HIS A 32 117.313 16.907 11.514 1.00 1.00 C ATOM 486 C HIS A 32 116.551 18.059 10.849 1.00 1.00 C ATOM 487 O HIS A 32 116.500 19.165 11.384 1.00 1.00 O ATOM 488 CB HIS A 32 118.697 16.730 10.886 1.00 1.00 C ATOM 489 CG HIS A 32 119.645 16.170 11.915 1.00 1.00 C ATOM 490 ND1 HIS A 32 120.228 16.958 12.895 1.00 1.00 N ATOM 491 CD2 HIS A 32 120.119 14.898 12.130 1.00 1.00 C ATOM 492 CE1 HIS A 32 121.012 16.159 13.648 1.00 1.00 C ATOM 493 NE2 HIS A 32 120.981 14.895 13.223 1.00 1.00 N ATOM 0 H HIS A 32 116.949 14.984 10.797 1.00 1.00 H new ATOM 0 HA HIS A 32 117.452 17.149 12.568 1.00 1.00 H new ATOM 0 HB2 HIS A 32 118.636 16.060 10.028 1.00 1.00 H new ATOM 0 HB3 HIS A 32 119.067 17.687 10.517 1.00 1.00 H new ATOM 0 HD2 HIS A 32 119.861 14.031 11.540 1.00 1.00 H new ATOM 0 HE1 HIS A 32 121.593 16.501 14.491 1.00 1.00 H new ATOM 0 HE2 HIS A 32 121.482 14.097 13.615 1.00 1.00 H new ATOM 501 N SER A 33 115.965 17.796 9.674 1.00 1.00 N ATOM 502 CA SER A 33 115.216 18.810 8.931 1.00 1.00 C ATOM 503 C SER A 33 113.987 19.278 9.682 1.00 1.00 C ATOM 504 O SER A 33 113.631 20.453 9.630 1.00 1.00 O ATOM 505 CB SER A 33 114.799 18.259 7.573 1.00 1.00 C ATOM 506 OG SER A 33 115.954 17.768 6.934 1.00 1.00 O ATOM 0 H SER A 33 115.997 16.884 9.218 1.00 1.00 H new ATOM 0 HA SER A 33 115.876 19.668 8.802 1.00 1.00 H new ATOM 0 HB2 SER A 33 114.062 17.465 7.693 1.00 1.00 H new ATOM 0 HB3 SER A 33 114.332 19.039 6.971 1.00 1.00 H new ATOM 0 HG SER A 33 116.108 16.839 7.206 1.00 1.00 H new ATOM 512 N LYS A 34 113.343 18.366 10.398 1.00 1.00 N ATOM 513 CA LYS A 34 112.171 18.734 11.157 1.00 1.00 C ATOM 514 C LYS A 34 112.564 19.828 12.124 1.00 1.00 C ATOM 515 O LYS A 34 111.752 20.666 12.512 1.00 1.00 O ATOM 516 CB LYS A 34 111.646 17.531 11.939 1.00 1.00 C ATOM 517 CG LYS A 34 110.977 16.534 10.983 1.00 1.00 C ATOM 518 CD LYS A 34 110.753 15.192 11.695 1.00 1.00 C ATOM 519 CE LYS A 34 110.820 14.052 10.677 1.00 1.00 C ATOM 520 NZ LYS A 34 110.126 12.851 11.225 1.00 1.00 N ATOM 0 H LYS A 34 113.611 17.384 10.465 1.00 1.00 H new ATOM 0 HA LYS A 34 111.387 19.077 10.483 1.00 1.00 H new ATOM 0 HB2 LYS A 34 112.466 17.045 12.469 1.00 1.00 H new ATOM 0 HB3 LYS A 34 110.931 17.861 12.692 1.00 1.00 H new ATOM 0 HG2 LYS A 34 110.024 16.934 10.636 1.00 1.00 H new ATOM 0 HG3 LYS A 34 111.602 16.388 10.102 1.00 1.00 H new ATOM 0 HD2 LYS A 34 111.509 15.048 12.467 1.00 1.00 H new ATOM 0 HD3 LYS A 34 109.784 15.191 12.194 1.00 1.00 H new ATOM 0 HE2 LYS A 34 110.353 14.359 9.741 1.00 1.00 H new ATOM 0 HE3 LYS A 34 111.859 13.813 10.452 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 110.172 12.077 10.532 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 110.590 12.554 12.107 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 109.131 13.083 11.419 1.00 1.00 H new ATOM 534 N GLN A 35 113.825 19.773 12.542 1.00 1.00 N ATOM 535 CA GLN A 35 114.329 20.736 13.516 1.00 1.00 C ATOM 536 C GLN A 35 115.156 21.826 12.875 1.00 1.00 C ATOM 537 O GLN A 35 115.097 22.984 13.288 1.00 1.00 O ATOM 538 CB GLN A 35 115.204 20.026 14.538 1.00 1.00 C ATOM 539 CG GLN A 35 114.456 18.812 15.058 1.00 1.00 C ATOM 540 CD GLN A 35 115.295 18.083 16.100 1.00 1.00 C ATOM 541 OE1 GLN A 35 116.361 17.555 15.781 1.00 1.00 O ATOM 542 NE2 GLN A 35 114.871 18.011 17.332 1.00 1.00 N ATOM 0 H GLN A 35 114.508 19.083 12.228 1.00 1.00 H new ATOM 0 HA GLN A 35 113.457 21.190 13.987 1.00 1.00 H new ATOM 0 HB2 GLN A 35 116.147 19.723 14.083 1.00 1.00 H new ATOM 0 HB3 GLN A 35 115.449 20.700 15.359 1.00 1.00 H new ATOM 0 HG2 GLN A 35 113.507 19.121 15.496 1.00 1.00 H new ATOM 0 HG3 GLN A 35 114.222 18.139 14.233 1.00 1.00 H new ATOM 0 HE21 GLN A 35 113.988 18.449 17.594 1.00 1.00 H new ATOM 0 HE22 GLN A 35 115.423 17.517 18.033 1.00 1.00 H new ATOM 551 N ASP A 36 115.956 21.460 11.888 1.00 1.00 N ATOM 552 CA ASP A 36 116.828 22.415 11.217 1.00 1.00 C ATOM 553 C ASP A 36 116.188 23.019 9.971 1.00 1.00 C ATOM 554 O ASP A 36 116.608 24.079 9.517 1.00 1.00 O ATOM 555 CB ASP A 36 118.128 21.716 10.814 1.00 1.00 C ATOM 556 CG ASP A 36 118.960 21.393 12.048 1.00 1.00 C ATOM 557 OD1 ASP A 36 118.611 21.868 13.115 1.00 1.00 O ATOM 558 OD2 ASP A 36 119.934 20.671 11.910 1.00 1.00 O ATOM 0 H ASP A 36 116.021 20.507 11.531 1.00 1.00 H new ATOM 0 HA ASP A 36 117.019 23.227 11.919 1.00 1.00 H new ATOM 0 HB2 ASP A 36 117.902 20.799 10.269 1.00 1.00 H new ATOM 0 HB3 ASP A 36 118.698 22.355 10.140 1.00 1.00 H new ATOM 563 N HIS A 37 115.172 22.345 9.426 1.00 1.00 N ATOM 564 CA HIS A 37 114.462 22.824 8.238 1.00 1.00 C ATOM 565 C HIS A 37 115.328 22.767 6.985 1.00 1.00 C ATOM 566 O HIS A 37 114.996 23.372 5.966 1.00 1.00 O ATOM 567 CB HIS A 37 113.958 24.256 8.450 1.00 1.00 C ATOM 568 CG HIS A 37 113.248 24.339 9.772 1.00 1.00 C ATOM 569 ND1 HIS A 37 111.916 23.985 9.921 1.00 1.00 N ATOM 570 CD2 HIS A 37 113.673 24.729 11.019 1.00 1.00 C ATOM 571 CE1 HIS A 37 111.590 24.166 11.214 1.00 1.00 C ATOM 572 NE2 HIS A 37 112.625 24.618 11.927 1.00 1.00 N ATOM 0 H HIS A 37 114.821 21.460 9.792 1.00 1.00 H new ATOM 0 HA HIS A 37 113.613 22.156 8.089 1.00 1.00 H new ATOM 0 HB2 HIS A 37 114.794 24.955 8.428 1.00 1.00 H new ATOM 0 HB3 HIS A 37 113.283 24.540 7.643 1.00 1.00 H new ATOM 0 HD2 HIS A 37 114.669 25.070 11.258 1.00 1.00 H new ATOM 0 HE1 HIS A 37 110.611 23.970 11.625 1.00 1.00 H new ATOM 0 HE2 HIS A 37 112.643 24.835 12.923 1.00 1.00 H new ATOM 580 N LYS A 38 116.451 22.057 7.069 1.00 1.00 N ATOM 581 CA LYS A 38 117.358 21.961 5.936 1.00 1.00 C ATOM 582 C LYS A 38 116.820 20.986 4.865 1.00 1.00 C ATOM 583 O LYS A 38 116.454 19.858 5.197 1.00 1.00 O ATOM 584 CB LYS A 38 118.723 21.479 6.430 1.00 1.00 C ATOM 585 CG LYS A 38 119.667 22.677 6.553 1.00 1.00 C ATOM 586 CD LYS A 38 121.016 22.217 7.110 1.00 1.00 C ATOM 587 CE LYS A 38 121.755 23.415 7.712 1.00 1.00 C ATOM 588 NZ LYS A 38 121.116 23.798 9.003 1.00 1.00 N ATOM 0 H LYS A 38 116.749 21.547 7.900 1.00 1.00 H new ATOM 0 HA LYS A 38 117.447 22.946 5.478 1.00 1.00 H new ATOM 0 HB2 LYS A 38 118.619 20.982 7.395 1.00 1.00 H new ATOM 0 HB3 LYS A 38 119.135 20.746 5.737 1.00 1.00 H new ATOM 0 HG2 LYS A 38 119.806 23.144 5.578 1.00 1.00 H new ATOM 0 HG3 LYS A 38 119.230 23.430 7.208 1.00 1.00 H new ATOM 0 HD2 LYS A 38 120.865 21.450 7.870 1.00 1.00 H new ATOM 0 HD3 LYS A 38 121.615 21.768 6.318 1.00 1.00 H new ATOM 0 HE2 LYS A 38 122.804 23.165 7.874 1.00 1.00 H new ATOM 0 HE3 LYS A 38 121.731 24.256 7.019 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 121.806 24.301 9.596 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 120.302 24.418 8.817 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 120.793 22.942 9.498 1.00 1.00 H new ATOM 602 N PRO A 39 116.766 21.375 3.598 1.00 1.00 N ATOM 603 CA PRO A 39 116.265 20.474 2.515 1.00 1.00 C ATOM 604 C PRO A 39 117.051 19.164 2.438 1.00 1.00 C ATOM 605 O PRO A 39 118.230 19.115 2.789 1.00 1.00 O ATOM 606 CB PRO A 39 116.459 21.258 1.214 1.00 1.00 C ATOM 607 CG PRO A 39 116.789 22.664 1.586 1.00 1.00 C ATOM 608 CD PRO A 39 117.153 22.697 3.070 1.00 1.00 C ATOM 0 HA PRO A 39 115.227 20.199 2.702 1.00 1.00 H new ATOM 0 HB2 PRO A 39 117.260 20.821 0.618 1.00 1.00 H new ATOM 0 HB3 PRO A 39 115.555 21.224 0.607 1.00 1.00 H new ATOM 0 HG2 PRO A 39 117.620 23.031 0.983 1.00 1.00 H new ATOM 0 HG3 PRO A 39 115.939 23.318 1.389 1.00 1.00 H new ATOM 0 HD2 PRO A 39 118.219 22.879 3.209 1.00 1.00 H new ATOM 0 HD3 PRO A 39 116.623 23.497 3.587 1.00 1.00 H new ATOM 616 N ILE A 40 116.383 18.104 1.982 1.00 1.00 N ATOM 617 CA ILE A 40 117.020 16.796 1.867 1.00 1.00 C ATOM 618 C ILE A 40 117.214 16.446 0.396 1.00 1.00 C ATOM 619 O ILE A 40 116.265 16.496 -0.384 1.00 1.00 O ATOM 620 CB ILE A 40 116.145 15.708 2.502 1.00 1.00 C ATOM 621 CG1 ILE A 40 115.350 16.284 3.681 1.00 1.00 C ATOM 622 CG2 ILE A 40 117.042 14.584 3.007 1.00 1.00 C ATOM 623 CD1 ILE A 40 114.425 15.206 4.252 1.00 1.00 C ATOM 0 H ILE A 40 115.406 18.127 1.688 1.00 1.00 H new ATOM 0 HA ILE A 40 117.980 16.843 2.382 1.00 1.00 H new ATOM 0 HB ILE A 40 115.447 15.330 1.755 1.00 1.00 H new ATOM 0 HG12 ILE A 40 116.032 16.639 4.454 1.00 1.00 H new ATOM 0 HG13 ILE A 40 114.765 17.143 3.353 1.00 1.00 H new ATOM 0 HG21 ILE A 40 116.429 13.805 3.460 1.00 1.00 H new ATOM 0 HG22 ILE A 40 117.604 14.164 2.173 1.00 1.00 H new ATOM 0 HG23 ILE A 40 117.736 14.978 3.750 1.00 1.00 H new ATOM 0 HD11 ILE A 40 113.861 15.617 5.089 1.00 1.00 H new ATOM 0 HD12 ILE A 40 113.734 14.872 3.478 1.00 1.00 H new ATOM 0 HD13 ILE A 40 115.021 14.360 4.596 1.00 1.00 H new ATOM 635 N GLY A 41 118.429 16.053 0.031 1.00 1.00 N ATOM 636 CA GLY A 41 118.710 15.657 -1.340 1.00 1.00 C ATOM 637 C GLY A 41 118.878 14.144 -1.400 1.00 1.00 C ATOM 638 O GLY A 41 119.825 13.598 -0.829 1.00 1.00 O ATOM 0 H GLY A 41 119.229 16.001 0.662 1.00 1.00 H new ATOM 0 HA2 GLY A 41 117.898 15.971 -1.996 1.00 1.00 H new ATOM 0 HA3 GLY A 41 119.615 16.150 -1.695 1.00 1.00 H new ATOM 642 N LEU A 42 117.987 13.469 -2.126 1.00 1.00 N ATOM 643 CA LEU A 42 118.098 12.028 -2.277 1.00 1.00 C ATOM 644 C LEU A 42 118.822 11.740 -3.579 1.00 1.00 C ATOM 645 O LEU A 42 118.365 12.128 -4.657 1.00 1.00 O ATOM 646 CB LEU A 42 116.729 11.327 -2.350 1.00 1.00 C ATOM 647 CG LEU A 42 115.824 11.659 -1.156 1.00 1.00 C ATOM 648 CD1 LEU A 42 115.580 13.155 -1.040 1.00 1.00 C ATOM 649 CD2 LEU A 42 114.473 10.984 -1.372 1.00 1.00 C ATOM 0 H LEU A 42 117.195 13.893 -2.609 1.00 1.00 H new ATOM 0 HA LEU A 42 118.630 11.650 -1.404 1.00 1.00 H new ATOM 0 HB2 LEU A 42 116.226 11.618 -3.272 1.00 1.00 H new ATOM 0 HB3 LEU A 42 116.881 10.249 -2.396 1.00 1.00 H new ATOM 0 HG LEU A 42 116.315 11.309 -0.248 1.00 1.00 H new ATOM 0 HD11 LEU A 42 114.935 13.353 -0.184 1.00 1.00 H new ATOM 0 HD12 LEU A 42 116.531 13.669 -0.905 1.00 1.00 H new ATOM 0 HD13 LEU A 42 115.098 13.517 -1.948 1.00 1.00 H new ATOM 0 HD21 LEU A 42 113.815 11.209 -0.532 1.00 1.00 H new ATOM 0 HD22 LEU A 42 114.024 11.355 -2.294 1.00 1.00 H new ATOM 0 HD23 LEU A 42 114.613 9.905 -1.445 1.00 1.00 H new ATOM 661 N PHE A 43 119.957 11.071 -3.465 1.00 1.00 N ATOM 662 CA PHE A 43 120.759 10.742 -4.636 1.00 1.00 C ATOM 663 C PHE A 43 120.376 9.353 -5.143 1.00 1.00 C ATOM 664 O PHE A 43 120.754 8.344 -4.547 1.00 1.00 O ATOM 665 CB PHE A 43 122.240 10.796 -4.233 1.00 1.00 C ATOM 666 CG PHE A 43 123.148 10.800 -5.443 1.00 1.00 C ATOM 667 CD1 PHE A 43 123.071 11.837 -6.385 1.00 1.00 C ATOM 668 CD2 PHE A 43 124.093 9.779 -5.607 1.00 1.00 C ATOM 669 CE1 PHE A 43 123.930 11.842 -7.489 1.00 1.00 C ATOM 670 CE2 PHE A 43 124.952 9.792 -6.709 1.00 1.00 C ATOM 671 CZ PHE A 43 124.870 10.823 -7.650 1.00 1.00 C ATOM 0 H PHE A 43 120.344 10.746 -2.579 1.00 1.00 H new ATOM 0 HA PHE A 43 120.580 11.454 -5.442 1.00 1.00 H new ATOM 0 HB2 PHE A 43 122.423 11.690 -3.637 1.00 1.00 H new ATOM 0 HB3 PHE A 43 122.477 9.939 -3.602 1.00 1.00 H new ATOM 0 HD1 PHE A 43 122.349 12.630 -6.258 1.00 1.00 H new ATOM 0 HD2 PHE A 43 124.158 8.982 -4.881 1.00 1.00 H new ATOM 0 HE1 PHE A 43 123.866 12.636 -8.218 1.00 1.00 H new ATOM 0 HE2 PHE A 43 125.680 9.004 -6.834 1.00 1.00 H new ATOM 0 HZ PHE A 43 125.534 10.831 -8.502 1.00 1.00 H new ATOM 681 N PHE A 44 119.644 9.299 -6.262 1.00 1.00 N ATOM 682 CA PHE A 44 119.231 8.030 -6.872 1.00 1.00 C ATOM 683 C PHE A 44 120.237 7.640 -7.940 1.00 1.00 C ATOM 684 O PHE A 44 120.467 8.406 -8.877 1.00 1.00 O ATOM 685 CB PHE A 44 117.848 8.172 -7.507 1.00 1.00 C ATOM 686 CG PHE A 44 116.791 8.036 -6.442 1.00 1.00 C ATOM 687 CD1 PHE A 44 116.327 9.164 -5.750 1.00 1.00 C ATOM 688 CD2 PHE A 44 116.272 6.771 -6.148 1.00 1.00 C ATOM 689 CE1 PHE A 44 115.346 9.021 -4.764 1.00 1.00 C ATOM 690 CE2 PHE A 44 115.291 6.629 -5.162 1.00 1.00 C ATOM 691 CZ PHE A 44 114.828 7.754 -4.471 1.00 1.00 C ATOM 0 H PHE A 44 119.324 10.126 -6.766 1.00 1.00 H new ATOM 0 HA PHE A 44 119.188 7.261 -6.101 1.00 1.00 H new ATOM 0 HB2 PHE A 44 117.760 9.140 -8.000 1.00 1.00 H new ATOM 0 HB3 PHE A 44 117.708 7.410 -8.273 1.00 1.00 H new ATOM 0 HD1 PHE A 44 116.727 10.141 -5.978 1.00 1.00 H new ATOM 0 HD2 PHE A 44 116.629 5.903 -6.683 1.00 1.00 H new ATOM 0 HE1 PHE A 44 114.988 9.888 -4.229 1.00 1.00 H new ATOM 0 HE2 PHE A 44 114.891 5.652 -4.934 1.00 1.00 H new ATOM 0 HZ PHE A 44 114.069 7.645 -3.710 1.00 1.00 H new ATOM 701 N THR A 45 120.845 6.461 -7.794 1.00 1.00 N ATOM 702 CA THR A 45 121.839 6.040 -8.774 1.00 1.00 C ATOM 703 C THR A 45 122.032 4.529 -8.885 1.00 1.00 C ATOM 704 O THR A 45 121.405 3.738 -8.180 1.00 1.00 O ATOM 705 CB THR A 45 123.185 6.685 -8.428 1.00 1.00 C ATOM 706 OG1 THR A 45 123.454 6.490 -7.046 1.00 1.00 O ATOM 707 CG2 THR A 45 123.140 8.184 -8.735 1.00 1.00 C ATOM 0 H THR A 45 120.673 5.803 -7.034 1.00 1.00 H new ATOM 0 HA THR A 45 121.460 6.368 -9.742 1.00 1.00 H new ATOM 0 HB THR A 45 123.972 6.224 -9.026 1.00 1.00 H new ATOM 0 HG1 THR A 45 123.633 7.355 -6.622 1.00 1.00 H new ATOM 0 HG21 THR A 45 124.101 8.635 -8.486 1.00 1.00 H new ATOM 0 HG22 THR A 45 122.933 8.332 -9.795 1.00 1.00 H new ATOM 0 HG23 THR A 45 122.354 8.653 -8.143 1.00 1.00 H new ATOM 715 N GLY A 46 122.993 4.173 -9.729 1.00 1.00 N ATOM 716 CA GLY A 46 123.431 2.801 -9.936 1.00 1.00 C ATOM 717 C GLY A 46 124.946 2.838 -9.846 1.00 1.00 C ATOM 718 O GLY A 46 125.641 3.081 -10.833 1.00 1.00 O ATOM 0 H GLY A 46 123.500 4.848 -10.301 1.00 1.00 H new ATOM 0 HA2 GLY A 46 123.010 2.137 -9.181 1.00 1.00 H new ATOM 0 HA3 GLY A 46 123.105 2.428 -10.907 1.00 1.00 H new ATOM 722 N SER A 47 125.437 2.685 -8.624 1.00 1.00 N ATOM 723 CA SER A 47 126.860 2.790 -8.332 1.00 1.00 C ATOM 724 C SER A 47 127.763 1.888 -9.165 1.00 1.00 C ATOM 725 O SER A 47 128.899 2.269 -9.453 1.00 1.00 O ATOM 726 CB SER A 47 127.089 2.482 -6.853 1.00 1.00 C ATOM 727 OG SER A 47 126.555 3.538 -6.065 1.00 1.00 O ATOM 0 H SER A 47 124.860 2.485 -7.807 1.00 1.00 H new ATOM 0 HA SER A 47 127.137 3.811 -8.593 1.00 1.00 H new ATOM 0 HB2 SER A 47 126.612 1.538 -6.588 1.00 1.00 H new ATOM 0 HB3 SER A 47 128.155 2.368 -6.654 1.00 1.00 H new ATOM 0 HG SER A 47 126.699 3.343 -5.116 1.00 1.00 H new ATOM 733 N ASP A 48 127.315 0.684 -9.504 1.00 1.00 N ATOM 734 CA ASP A 48 128.166 -0.244 -10.238 1.00 1.00 C ATOM 735 C ASP A 48 127.845 -0.357 -11.729 1.00 1.00 C ATOM 736 O ASP A 48 128.546 -1.089 -12.430 1.00 1.00 O ATOM 737 CB ASP A 48 128.042 -1.626 -9.600 1.00 1.00 C ATOM 738 CG ASP A 48 128.686 -1.625 -8.215 1.00 1.00 C ATOM 739 OD1 ASP A 48 129.609 -0.854 -8.013 1.00 1.00 O ATOM 740 OD2 ASP A 48 128.248 -2.400 -7.381 1.00 1.00 O ATOM 0 H ASP A 48 126.383 0.332 -9.286 1.00 1.00 H new ATOM 0 HA ASP A 48 129.180 0.152 -10.176 1.00 1.00 H new ATOM 0 HB2 ASP A 48 126.991 -1.905 -9.521 1.00 1.00 H new ATOM 0 HB3 ASP A 48 128.523 -2.372 -10.233 1.00 1.00 H new ATOM 745 N TRP A 49 126.790 0.303 -12.224 1.00 1.00 N ATOM 746 CA TRP A 49 126.460 0.152 -13.649 1.00 1.00 C ATOM 747 C TRP A 49 126.123 1.453 -14.377 1.00 1.00 C ATOM 748 O TRP A 49 126.153 1.483 -15.606 1.00 1.00 O ATOM 749 CB TRP A 49 125.292 -0.822 -13.805 1.00 1.00 C ATOM 750 CG TRP A 49 124.214 -0.491 -12.826 1.00 1.00 C ATOM 751 CD1 TRP A 49 124.308 -0.652 -11.487 1.00 1.00 C ATOM 752 CD2 TRP A 49 122.879 0.040 -13.081 1.00 1.00 C ATOM 753 NE1 TRP A 49 123.122 -0.250 -10.904 1.00 1.00 N ATOM 754 CE2 TRP A 49 122.209 0.182 -11.845 1.00 1.00 C ATOM 755 CE3 TRP A 49 122.193 0.403 -14.254 1.00 1.00 C ATOM 756 CZ2 TRP A 49 120.905 0.673 -11.771 1.00 1.00 C ATOM 757 CZ3 TRP A 49 120.879 0.900 -14.184 1.00 1.00 C ATOM 758 CH2 TRP A 49 120.236 1.031 -12.945 1.00 1.00 C ATOM 0 H TRP A 49 126.176 0.918 -11.691 1.00 1.00 H new ATOM 0 HA TRP A 49 127.369 -0.227 -14.116 1.00 1.00 H new ATOM 0 HB2 TRP A 49 124.900 -0.772 -14.821 1.00 1.00 H new ATOM 0 HB3 TRP A 49 125.637 -1.844 -13.647 1.00 1.00 H new ATOM 0 HD1 TRP A 49 125.170 -1.033 -10.959 1.00 1.00 H new ATOM 0 HE1 TRP A 49 122.943 -0.270 -9.900 1.00 1.00 H new ATOM 0 HE3 TRP A 49 122.678 0.300 -15.214 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 120.416 0.776 -10.814 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 120.363 1.182 -15.090 1.00 1.00 H new ATOM 0 HH2 TRP A 49 119.225 1.408 -12.898 1.00 1.00 H new ATOM 769 N CYS A 50 125.797 2.522 -13.663 1.00 1.00 N ATOM 770 CA CYS A 50 125.456 3.784 -14.314 1.00 1.00 C ATOM 771 C CYS A 50 126.669 4.714 -14.394 1.00 1.00 C ATOM 772 O CYS A 50 127.172 5.199 -13.379 1.00 1.00 O ATOM 773 CB CYS A 50 124.318 4.442 -13.541 1.00 1.00 C ATOM 774 SG CYS A 50 124.033 6.112 -14.159 1.00 1.00 S ATOM 0 H CYS A 50 125.761 2.544 -12.644 1.00 1.00 H new ATOM 0 HA CYS A 50 125.138 3.585 -15.337 1.00 1.00 H new ATOM 0 HB2 CYS A 50 123.409 3.849 -13.641 1.00 1.00 H new ATOM 0 HB3 CYS A 50 124.561 4.475 -12.479 1.00 1.00 H new ATOM 779 N MET A 51 127.137 4.947 -15.620 1.00 1.00 N ATOM 780 CA MET A 51 128.296 5.801 -15.853 1.00 1.00 C ATOM 781 C MET A 51 127.963 7.272 -15.647 1.00 1.00 C ATOM 782 O MET A 51 128.745 8.008 -15.049 1.00 1.00 O ATOM 783 CB MET A 51 128.826 5.567 -17.276 1.00 1.00 C ATOM 784 CG MET A 51 130.050 6.452 -17.554 1.00 1.00 C ATOM 785 SD MET A 51 131.372 6.060 -16.381 1.00 1.00 S ATOM 786 CE MET A 51 132.445 5.161 -17.526 1.00 1.00 C ATOM 0 H MET A 51 126.728 4.554 -16.468 1.00 1.00 H new ATOM 0 HA MET A 51 129.065 5.538 -15.127 1.00 1.00 H new ATOM 0 HB2 MET A 51 129.094 4.518 -17.401 1.00 1.00 H new ATOM 0 HB3 MET A 51 128.042 5.784 -18.001 1.00 1.00 H new ATOM 0 HG2 MET A 51 130.399 6.295 -18.575 1.00 1.00 H new ATOM 0 HG3 MET A 51 129.776 7.504 -17.469 1.00 1.00 H new ATOM 0 HE1 MET A 51 133.337 4.823 -16.999 1.00 1.00 H new ATOM 0 HE2 MET A 51 131.910 4.299 -17.925 1.00 1.00 H new ATOM 0 HE3 MET A 51 132.735 5.819 -18.345 1.00 1.00 H new ATOM 796 N TRP A 52 126.804 7.701 -16.132 1.00 1.00 N ATOM 797 CA TRP A 52 126.388 9.085 -15.984 1.00 1.00 C ATOM 798 C TRP A 52 126.273 9.425 -14.509 1.00 1.00 C ATOM 799 O TRP A 52 126.498 10.562 -14.096 1.00 1.00 O ATOM 800 CB TRP A 52 125.044 9.300 -16.685 1.00 1.00 C ATOM 801 CG TRP A 52 125.259 9.338 -18.165 1.00 1.00 C ATOM 802 CD1 TRP A 52 126.009 10.258 -18.813 1.00 1.00 C ATOM 803 CD2 TRP A 52 124.742 8.437 -19.192 1.00 1.00 C ATOM 804 NE1 TRP A 52 125.984 9.986 -20.168 1.00 1.00 N ATOM 805 CE2 TRP A 52 125.220 8.872 -20.453 1.00 1.00 C ATOM 806 CE3 TRP A 52 123.915 7.297 -19.156 1.00 1.00 C ATOM 807 CZ2 TRP A 52 124.887 8.203 -21.633 1.00 1.00 C ATOM 808 CZ3 TRP A 52 123.581 6.622 -20.343 1.00 1.00 C ATOM 809 CH2 TRP A 52 124.066 7.073 -21.579 1.00 1.00 C ATOM 0 H TRP A 52 126.139 7.110 -16.630 1.00 1.00 H new ATOM 0 HA TRP A 52 127.130 9.739 -16.442 1.00 1.00 H new ATOM 0 HB2 TRP A 52 124.354 8.497 -16.427 1.00 1.00 H new ATOM 0 HB3 TRP A 52 124.590 10.232 -16.348 1.00 1.00 H new ATOM 0 HD1 TRP A 52 126.542 11.074 -18.347 1.00 1.00 H new ATOM 0 HE1 TRP A 52 126.471 10.541 -20.872 1.00 1.00 H new ATOM 0 HE3 TRP A 52 123.535 6.939 -18.210 1.00 1.00 H new ATOM 0 HZ2 TRP A 52 125.262 8.557 -22.582 1.00 1.00 H new ATOM 0 HZ3 TRP A 52 122.946 5.749 -20.303 1.00 1.00 H new ATOM 0 HH2 TRP A 52 123.806 6.549 -22.487 1.00 1.00 H new ATOM 820 N CYS A 53 125.934 8.418 -13.725 1.00 1.00 N ATOM 821 CA CYS A 53 125.804 8.602 -12.294 1.00 1.00 C ATOM 822 C CYS A 53 127.167 8.840 -11.683 1.00 1.00 C ATOM 823 O CYS A 53 127.328 9.699 -10.816 1.00 1.00 O ATOM 824 CB CYS A 53 125.145 7.378 -11.677 1.00 1.00 C ATOM 825 SG CYS A 53 123.549 7.115 -12.479 1.00 1.00 S ATOM 0 H CYS A 53 125.745 7.471 -14.053 1.00 1.00 H new ATOM 0 HA CYS A 53 125.178 9.472 -12.094 1.00 1.00 H new ATOM 0 HB2 CYS A 53 125.781 6.502 -11.804 1.00 1.00 H new ATOM 0 HB3 CYS A 53 125.010 7.521 -10.605 1.00 1.00 H new ATOM 830 N ILE A 54 128.151 8.099 -12.160 1.00 1.00 N ATOM 831 CA ILE A 54 129.495 8.272 -11.668 1.00 1.00 C ATOM 832 C ILE A 54 129.942 9.684 -11.981 1.00 1.00 C ATOM 833 O ILE A 54 130.547 10.350 -11.143 1.00 1.00 O ATOM 834 CB ILE A 54 130.435 7.291 -12.348 1.00 1.00 C ATOM 835 CG1 ILE A 54 130.096 5.866 -11.903 1.00 1.00 C ATOM 836 CG2 ILE A 54 131.873 7.629 -11.969 1.00 1.00 C ATOM 837 CD1 ILE A 54 130.866 4.858 -12.763 1.00 1.00 C ATOM 0 H ILE A 54 128.042 7.382 -12.878 1.00 1.00 H new ATOM 0 HA ILE A 54 129.515 8.092 -10.593 1.00 1.00 H new ATOM 0 HB ILE A 54 130.322 7.361 -13.430 1.00 1.00 H new ATOM 0 HG12 ILE A 54 130.353 5.732 -10.852 1.00 1.00 H new ATOM 0 HG13 ILE A 54 129.024 5.692 -11.994 1.00 1.00 H new ATOM 0 HG21 ILE A 54 132.552 6.928 -12.455 1.00 1.00 H new ATOM 0 HG22 ILE A 54 132.106 8.643 -12.293 1.00 1.00 H new ATOM 0 HG23 ILE A 54 131.991 7.558 -10.888 1.00 1.00 H new ATOM 0 HD11 ILE A 54 130.622 3.845 -12.443 1.00 1.00 H new ATOM 0 HD12 ILE A 54 130.588 4.985 -13.809 1.00 1.00 H new ATOM 0 HD13 ILE A 54 131.937 5.026 -12.649 1.00 1.00 H new ATOM 849 N LYS A 55 129.662 10.140 -13.204 1.00 1.00 N ATOM 850 CA LYS A 55 130.066 11.467 -13.624 1.00 1.00 C ATOM 851 C LYS A 55 129.428 12.545 -12.757 1.00 1.00 C ATOM 852 O LYS A 55 130.110 13.468 -12.321 1.00 1.00 O ATOM 853 CB LYS A 55 129.683 11.694 -15.088 1.00 1.00 C ATOM 854 CG LYS A 55 130.406 10.685 -15.997 1.00 1.00 C ATOM 855 CD LYS A 55 131.913 10.962 -16.031 1.00 1.00 C ATOM 856 CE LYS A 55 132.518 10.281 -17.260 1.00 1.00 C ATOM 857 NZ LYS A 55 133.980 10.571 -17.324 1.00 1.00 N ATOM 0 H LYS A 55 129.159 9.606 -13.912 1.00 1.00 H new ATOM 0 HA LYS A 55 131.148 11.535 -13.512 1.00 1.00 H new ATOM 0 HB2 LYS A 55 128.604 11.592 -15.208 1.00 1.00 H new ATOM 0 HB3 LYS A 55 129.942 12.710 -15.384 1.00 1.00 H new ATOM 0 HG2 LYS A 55 130.226 9.672 -15.638 1.00 1.00 H new ATOM 0 HG3 LYS A 55 129.999 10.742 -17.006 1.00 1.00 H new ATOM 0 HD2 LYS A 55 132.098 12.036 -16.067 1.00 1.00 H new ATOM 0 HD3 LYS A 55 132.385 10.587 -15.123 1.00 1.00 H new ATOM 0 HE2 LYS A 55 132.352 9.205 -17.210 1.00 1.00 H new ATOM 0 HE3 LYS A 55 132.026 10.638 -18.165 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 134.390 10.107 -18.160 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 134.128 11.598 -17.391 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 134.443 10.210 -16.466 1.00 1.00 H new ATOM 871 N MET A 56 128.122 12.437 -12.498 1.00 1.00 N ATOM 872 CA MET A 56 127.457 13.431 -11.679 1.00 1.00 C ATOM 873 C MET A 56 128.042 13.407 -10.284 1.00 1.00 C ATOM 874 O MET A 56 128.325 14.440 -9.687 1.00 1.00 O ATOM 875 CB MET A 56 125.948 13.178 -11.628 1.00 1.00 C ATOM 876 CG MET A 56 125.289 14.251 -10.760 1.00 1.00 C ATOM 877 SD MET A 56 123.487 14.123 -10.896 1.00 1.00 S ATOM 878 CE MET A 56 123.064 15.140 -9.457 1.00 1.00 C ATOM 0 H MET A 56 127.522 11.685 -12.839 1.00 1.00 H new ATOM 0 HA MET A 56 127.616 14.414 -12.122 1.00 1.00 H new ATOM 0 HB2 MET A 56 125.529 13.199 -12.634 1.00 1.00 H new ATOM 0 HB3 MET A 56 125.746 12.188 -11.219 1.00 1.00 H new ATOM 0 HG2 MET A 56 125.595 14.130 -9.721 1.00 1.00 H new ATOM 0 HG3 MET A 56 125.618 15.241 -11.076 1.00 1.00 H new ATOM 0 HE1 MET A 56 122.570 14.522 -8.707 1.00 1.00 H new ATOM 0 HE2 MET A 56 123.973 15.567 -9.034 1.00 1.00 H new ATOM 0 HE3 MET A 56 122.394 15.943 -9.763 1.00 1.00 H new ATOM 888 N GLN A 57 128.228 12.199 -9.774 1.00 1.00 N ATOM 889 CA GLN A 57 128.778 12.019 -8.450 1.00 1.00 C ATOM 890 C GLN A 57 130.251 12.404 -8.421 1.00 1.00 C ATOM 891 O GLN A 57 130.684 13.108 -7.511 1.00 1.00 O ATOM 892 CB GLN A 57 128.579 10.564 -8.017 1.00 1.00 C ATOM 893 CG GLN A 57 129.649 10.169 -7.017 1.00 1.00 C ATOM 894 CD GLN A 57 129.228 8.904 -6.277 1.00 1.00 C ATOM 895 OE1 GLN A 57 128.045 8.560 -6.256 1.00 1.00 O ATOM 896 NE2 GLN A 57 130.127 8.183 -5.664 1.00 1.00 N ATOM 0 H GLN A 57 128.004 11.332 -10.262 1.00 1.00 H new ATOM 0 HA GLN A 57 128.257 12.672 -7.750 1.00 1.00 H new ATOM 0 HB2 GLN A 57 127.591 10.440 -7.573 1.00 1.00 H new ATOM 0 HB3 GLN A 57 128.622 9.908 -8.886 1.00 1.00 H new ATOM 0 HG2 GLN A 57 130.595 10.002 -7.531 1.00 1.00 H new ATOM 0 HG3 GLN A 57 129.811 10.979 -6.306 1.00 1.00 H new ATOM 0 HE21 GLN A 57 131.107 8.467 -5.681 1.00 1.00 H new ATOM 0 HE22 GLN A 57 129.850 7.336 -5.168 1.00 1.00 H new ATOM 905 N ASP A 58 131.022 11.964 -9.398 1.00 1.00 N ATOM 906 CA ASP A 58 132.441 12.289 -9.426 1.00 1.00 C ATOM 907 C ASP A 58 132.671 13.774 -9.702 1.00 1.00 C ATOM 908 O ASP A 58 133.611 14.363 -9.169 1.00 1.00 O ATOM 909 CB ASP A 58 133.132 11.454 -10.509 1.00 1.00 C ATOM 910 CG ASP A 58 134.633 11.732 -10.521 1.00 1.00 C ATOM 911 OD1 ASP A 58 135.059 12.617 -9.799 1.00 1.00 O ATOM 912 OD2 ASP A 58 135.334 11.052 -11.251 1.00 1.00 O ATOM 0 H ASP A 58 130.698 11.388 -10.175 1.00 1.00 H new ATOM 0 HA ASP A 58 132.862 12.059 -8.447 1.00 1.00 H new ATOM 0 HB2 ASP A 58 132.954 10.394 -10.328 1.00 1.00 H new ATOM 0 HB3 ASP A 58 132.705 11.687 -11.484 1.00 1.00 H new ATOM 917 N GLN A 59 131.854 14.366 -10.559 1.00 1.00 N ATOM 918 CA GLN A 59 132.062 15.769 -10.903 1.00 1.00 C ATOM 919 C GLN A 59 131.282 16.772 -10.040 1.00 1.00 C ATOM 920 O GLN A 59 131.695 17.930 -9.965 1.00 1.00 O ATOM 921 CB GLN A 59 131.689 16.001 -12.371 1.00 1.00 C ATOM 922 CG GLN A 59 132.571 15.147 -13.288 1.00 1.00 C ATOM 923 CD GLN A 59 134.032 15.574 -13.176 1.00 1.00 C ATOM 924 OE1 GLN A 59 134.323 16.759 -13.009 1.00 1.00 O ATOM 925 NE2 GLN A 59 134.974 14.676 -13.277 1.00 1.00 N ATOM 0 H GLN A 59 131.063 13.916 -11.019 1.00 1.00 H new ATOM 0 HA GLN A 59 133.119 15.955 -10.713 1.00 1.00 H new ATOM 0 HB2 GLN A 59 130.640 15.752 -12.530 1.00 1.00 H new ATOM 0 HB3 GLN A 59 131.808 17.055 -12.621 1.00 1.00 H new ATOM 0 HG2 GLN A 59 132.472 14.095 -13.020 1.00 1.00 H new ATOM 0 HG3 GLN A 59 132.235 15.246 -14.320 1.00 1.00 H new ATOM 0 HE21 GLN A 59 134.731 13.695 -13.415 1.00 1.00 H new ATOM 0 HE22 GLN A 59 135.953 14.955 -13.218 1.00 1.00 H new ATOM 934 N ILE A 60 130.145 16.381 -9.443 1.00 1.00 N ATOM 935 CA ILE A 60 129.357 17.358 -8.672 1.00 1.00 C ATOM 936 C ILE A 60 129.240 17.033 -7.187 1.00 1.00 C ATOM 937 O ILE A 60 129.559 17.881 -6.359 1.00 1.00 O ATOM 938 CB ILE A 60 127.960 17.482 -9.285 1.00 1.00 C ATOM 939 CG1 ILE A 60 128.105 18.014 -10.713 1.00 1.00 C ATOM 940 CG2 ILE A 60 127.106 18.458 -8.462 1.00 1.00 C ATOM 941 CD1 ILE A 60 126.771 17.896 -11.447 1.00 1.00 C ATOM 0 H ILE A 60 129.762 15.436 -9.474 1.00 1.00 H new ATOM 0 HA ILE A 60 129.897 18.303 -8.732 1.00 1.00 H new ATOM 0 HB ILE A 60 127.472 16.507 -9.289 1.00 1.00 H new ATOM 0 HG12 ILE A 60 128.428 19.055 -10.692 1.00 1.00 H new ATOM 0 HG13 ILE A 60 128.874 17.452 -11.244 1.00 1.00 H new ATOM 0 HG21 ILE A 60 126.114 18.538 -8.907 1.00 1.00 H new ATOM 0 HG22 ILE A 60 127.016 18.090 -7.440 1.00 1.00 H new ATOM 0 HG23 ILE A 60 127.581 19.439 -8.454 1.00 1.00 H new ATOM 0 HD11 ILE A 60 126.880 18.276 -12.463 1.00 1.00 H new ATOM 0 HD12 ILE A 60 126.466 16.850 -11.482 1.00 1.00 H new ATOM 0 HD13 ILE A 60 126.014 18.478 -10.921 1.00 1.00 H new ATOM 953 N LEU A 61 128.765 15.852 -6.820 1.00 1.00 N ATOM 954 CA LEU A 61 128.602 15.540 -5.405 1.00 1.00 C ATOM 955 C LEU A 61 129.938 15.625 -4.682 1.00 1.00 C ATOM 956 O LEU A 61 130.007 16.106 -3.551 1.00 1.00 O ATOM 957 CB LEU A 61 128.026 14.132 -5.184 1.00 1.00 C ATOM 958 CG LEU A 61 126.551 14.014 -5.635 1.00 1.00 C ATOM 959 CD1 LEU A 61 125.623 14.527 -4.542 1.00 1.00 C ATOM 960 CD2 LEU A 61 126.274 14.820 -6.899 1.00 1.00 C ATOM 0 H LEU A 61 128.491 15.109 -7.463 1.00 1.00 H new ATOM 0 HA LEU A 61 127.903 16.274 -5.005 1.00 1.00 H new ATOM 0 HB2 LEU A 61 128.628 13.407 -5.732 1.00 1.00 H new ATOM 0 HB3 LEU A 61 128.100 13.875 -4.127 1.00 1.00 H new ATOM 0 HG LEU A 61 126.369 12.958 -5.837 1.00 1.00 H new ATOM 0 HD11 LEU A 61 124.588 14.438 -4.872 1.00 1.00 H new ATOM 0 HD12 LEU A 61 125.767 13.938 -3.636 1.00 1.00 H new ATOM 0 HD13 LEU A 61 125.849 15.573 -4.334 1.00 1.00 H new ATOM 0 HD21 LEU A 61 125.227 14.708 -7.180 1.00 1.00 H new ATOM 0 HD22 LEU A 61 126.490 15.872 -6.714 1.00 1.00 H new ATOM 0 HD23 LEU A 61 126.907 14.456 -7.708 1.00 1.00 H new ATOM 972 N GLN A 62 130.998 15.138 -5.321 1.00 1.00 N ATOM 973 CA GLN A 62 132.316 15.153 -4.702 1.00 1.00 C ATOM 974 C GLN A 62 133.062 16.458 -4.979 1.00 1.00 C ATOM 975 O GLN A 62 134.234 16.589 -4.621 1.00 1.00 O ATOM 976 CB GLN A 62 133.149 13.968 -5.198 1.00 1.00 C ATOM 977 CG GLN A 62 132.563 12.663 -4.652 1.00 1.00 C ATOM 978 CD GLN A 62 133.407 11.476 -5.108 1.00 1.00 C ATOM 979 OE1 GLN A 62 133.527 11.222 -6.305 1.00 1.00 O ATOM 980 NE2 GLN A 62 133.999 10.727 -4.216 1.00 1.00 N ATOM 0 H GLN A 62 130.970 14.733 -6.257 1.00 1.00 H new ATOM 0 HA GLN A 62 132.169 15.073 -3.625 1.00 1.00 H new ATOM 0 HB2 GLN A 62 133.157 13.947 -6.288 1.00 1.00 H new ATOM 0 HB3 GLN A 62 134.184 14.077 -4.874 1.00 1.00 H new ATOM 0 HG2 GLN A 62 132.530 12.698 -3.563 1.00 1.00 H new ATOM 0 HG3 GLN A 62 131.537 12.543 -4.999 1.00 1.00 H new ATOM 0 HE21 GLN A 62 133.898 10.940 -3.224 1.00 1.00 H new ATOM 0 HE22 GLN A 62 134.562 9.930 -4.512 1.00 1.00 H new ATOM 989 N SER A 63 132.398 17.423 -5.620 1.00 1.00 N ATOM 990 CA SER A 63 133.033 18.703 -5.931 1.00 1.00 C ATOM 991 C SER A 63 133.041 19.620 -4.713 1.00 1.00 C ATOM 992 O SER A 63 132.167 19.528 -3.855 1.00 1.00 O ATOM 993 CB SER A 63 132.287 19.399 -7.065 1.00 1.00 C ATOM 994 OG SER A 63 131.209 20.151 -6.523 1.00 1.00 O ATOM 0 H SER A 63 131.430 17.343 -5.931 1.00 1.00 H new ATOM 0 HA SER A 63 134.061 18.499 -6.231 1.00 1.00 H new ATOM 0 HB2 SER A 63 132.964 20.054 -7.613 1.00 1.00 H new ATOM 0 HB3 SER A 63 131.911 18.662 -7.775 1.00 1.00 H new ATOM 0 HG SER A 63 130.441 19.561 -6.375 1.00 1.00 H new ATOM 1000 N SER A 64 134.044 20.481 -4.627 1.00 1.00 N ATOM 1001 CA SER A 64 134.183 21.382 -3.489 1.00 1.00 C ATOM 1002 C SER A 64 132.985 22.309 -3.315 1.00 1.00 C ATOM 1003 O SER A 64 132.519 22.513 -2.194 1.00 1.00 O ATOM 1004 CB SER A 64 135.445 22.221 -3.667 1.00 1.00 C ATOM 1005 OG SER A 64 135.418 23.317 -2.760 1.00 1.00 O ATOM 0 H SER A 64 134.775 20.576 -5.332 1.00 1.00 H new ATOM 0 HA SER A 64 134.245 20.764 -2.593 1.00 1.00 H new ATOM 0 HB2 SER A 64 136.329 21.609 -3.489 1.00 1.00 H new ATOM 0 HB3 SER A 64 135.511 22.585 -4.692 1.00 1.00 H new ATOM 0 HG SER A 64 136.229 23.855 -2.873 1.00 1.00 H new ATOM 1011 N GLU A 65 132.505 22.900 -4.404 1.00 1.00 N ATOM 1012 CA GLU A 65 131.387 23.832 -4.322 1.00 1.00 C ATOM 1013 C GLU A 65 130.116 23.162 -3.796 1.00 1.00 C ATOM 1014 O GLU A 65 129.445 23.708 -2.918 1.00 1.00 O ATOM 1015 CB GLU A 65 131.107 24.418 -5.712 1.00 1.00 C ATOM 1016 CG GLU A 65 132.361 25.125 -6.238 1.00 1.00 C ATOM 1017 CD GLU A 65 132.684 26.340 -5.378 1.00 1.00 C ATOM 1018 OE1 GLU A 65 131.798 26.797 -4.676 1.00 1.00 O ATOM 1019 OE2 GLU A 65 133.815 26.791 -5.433 1.00 1.00 O ATOM 0 H GLU A 65 132.869 22.752 -5.345 1.00 1.00 H new ATOM 0 HA GLU A 65 131.666 24.619 -3.622 1.00 1.00 H new ATOM 0 HB2 GLU A 65 130.810 23.625 -6.398 1.00 1.00 H new ATOM 0 HB3 GLU A 65 130.276 25.122 -5.660 1.00 1.00 H new ATOM 0 HG2 GLU A 65 133.204 24.434 -6.235 1.00 1.00 H new ATOM 0 HG3 GLU A 65 132.206 25.434 -7.272 1.00 1.00 H new ATOM 1026 N PHE A 66 129.787 21.985 -4.324 1.00 1.00 N ATOM 1027 CA PHE A 66 128.592 21.269 -3.879 1.00 1.00 C ATOM 1028 C PHE A 66 128.741 20.795 -2.440 1.00 1.00 C ATOM 1029 O PHE A 66 127.802 20.891 -1.652 1.00 1.00 O ATOM 1030 CB PHE A 66 128.311 20.063 -4.769 1.00 1.00 C ATOM 1031 CG PHE A 66 126.939 19.531 -4.434 1.00 1.00 C ATOM 1032 CD1 PHE A 66 125.803 20.191 -4.918 1.00 1.00 C ATOM 1033 CD2 PHE A 66 126.798 18.394 -3.628 1.00 1.00 C ATOM 1034 CE1 PHE A 66 124.526 19.712 -4.600 1.00 1.00 C ATOM 1035 CE2 PHE A 66 125.519 17.918 -3.308 1.00 1.00 C ATOM 1036 CZ PHE A 66 124.384 18.577 -3.794 1.00 1.00 C ATOM 0 H PHE A 66 130.323 21.511 -5.051 1.00 1.00 H new ATOM 0 HA PHE A 66 127.758 21.968 -3.944 1.00 1.00 H new ATOM 0 HB2 PHE A 66 128.361 20.348 -5.820 1.00 1.00 H new ATOM 0 HB3 PHE A 66 129.065 19.292 -4.612 1.00 1.00 H new ATOM 0 HD1 PHE A 66 125.912 21.070 -5.537 1.00 1.00 H new ATOM 0 HD2 PHE A 66 127.674 17.885 -3.254 1.00 1.00 H new ATOM 0 HE1 PHE A 66 123.650 20.219 -4.977 1.00 1.00 H new ATOM 0 HE2 PHE A 66 125.409 17.042 -2.686 1.00 1.00 H new ATOM 0 HZ PHE A 66 123.399 18.210 -3.547 1.00 1.00 H new ATOM 1046 N LYS A 67 129.911 20.259 -2.105 1.00 1.00 N ATOM 1047 CA LYS A 67 130.129 19.754 -0.763 1.00 1.00 C ATOM 1048 C LYS A 67 130.006 20.876 0.242 1.00 1.00 C ATOM 1049 O LYS A 67 129.394 20.707 1.297 1.00 1.00 O ATOM 1050 CB LYS A 67 131.497 19.076 -0.648 1.00 1.00 C ATOM 1051 CG LYS A 67 131.468 17.733 -1.389 1.00 1.00 C ATOM 1052 CD LYS A 67 132.774 16.967 -1.136 1.00 1.00 C ATOM 1053 CE LYS A 67 133.944 17.672 -1.823 1.00 1.00 C ATOM 1054 NZ LYS A 67 135.106 16.742 -1.900 1.00 1.00 N ATOM 0 H LYS A 67 130.707 20.166 -2.736 1.00 1.00 H new ATOM 0 HA LYS A 67 129.365 19.006 -0.549 1.00 1.00 H new ATOM 0 HB2 LYS A 67 132.270 19.719 -1.069 1.00 1.00 H new ATOM 0 HB3 LYS A 67 131.750 18.919 0.401 1.00 1.00 H new ATOM 0 HG2 LYS A 67 130.618 17.140 -1.052 1.00 1.00 H new ATOM 0 HG3 LYS A 67 131.336 17.901 -2.458 1.00 1.00 H new ATOM 0 HD2 LYS A 67 132.961 16.897 -0.064 1.00 1.00 H new ATOM 0 HD3 LYS A 67 132.684 15.947 -1.511 1.00 1.00 H new ATOM 0 HE2 LYS A 67 133.653 17.992 -2.824 1.00 1.00 H new ATOM 0 HE3 LYS A 67 134.218 18.569 -1.269 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 135.975 17.249 -1.637 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 134.958 15.947 -1.247 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 135.197 16.380 -2.871 1.00 1.00 H new ATOM 1068 N HIS A 68 130.589 22.024 -0.078 1.00 1.00 N ATOM 1069 CA HIS A 68 130.531 23.148 0.823 1.00 1.00 C ATOM 1070 C HIS A 68 129.101 23.635 0.959 1.00 1.00 C ATOM 1071 O HIS A 68 128.620 23.878 2.066 1.00 1.00 O ATOM 1072 CB HIS A 68 131.414 24.280 0.297 1.00 1.00 C ATOM 1073 CG HIS A 68 131.405 25.416 1.280 1.00 1.00 C ATOM 1074 ND1 HIS A 68 132.341 25.518 2.296 1.00 1.00 N ATOM 1075 CD2 HIS A 68 130.578 26.501 1.422 1.00 1.00 C ATOM 1076 CE1 HIS A 68 132.059 26.630 2.999 1.00 1.00 C ATOM 1077 NE2 HIS A 68 130.993 27.267 2.508 1.00 1.00 N ATOM 0 H HIS A 68 131.099 22.192 -0.945 1.00 1.00 H new ATOM 0 HA HIS A 68 130.893 22.834 1.802 1.00 1.00 H new ATOM 0 HB2 HIS A 68 132.433 23.922 0.147 1.00 1.00 H new ATOM 0 HB3 HIS A 68 131.050 24.620 -0.672 1.00 1.00 H new ATOM 0 HD2 HIS A 68 129.733 26.727 0.788 1.00 1.00 H new ATOM 0 HE1 HIS A 68 132.625 26.966 3.855 1.00 1.00 H new ATOM 0 HE2 HIS A 68 130.573 28.130 2.854 1.00 1.00 H new ATOM 1085 N PHE A 69 128.418 23.773 -0.172 1.00 1.00 N ATOM 1086 CA PHE A 69 127.047 24.229 -0.177 1.00 1.00 C ATOM 1087 C PHE A 69 126.170 23.262 0.596 1.00 1.00 C ATOM 1088 O PHE A 69 125.352 23.665 1.422 1.00 1.00 O ATOM 1089 CB PHE A 69 126.571 24.345 -1.628 1.00 1.00 C ATOM 1090 CG PHE A 69 125.078 24.573 -1.687 1.00 1.00 C ATOM 1091 CD1 PHE A 69 124.531 25.793 -1.268 1.00 1.00 C ATOM 1092 CD2 PHE A 69 124.240 23.565 -2.181 1.00 1.00 C ATOM 1093 CE1 PHE A 69 123.145 26.000 -1.341 1.00 1.00 C ATOM 1094 CE2 PHE A 69 122.860 23.775 -2.257 1.00 1.00 C ATOM 1095 CZ PHE A 69 122.312 24.992 -1.838 1.00 1.00 C ATOM 0 H PHE A 69 128.800 23.573 -1.097 1.00 1.00 H new ATOM 0 HA PHE A 69 126.980 25.204 0.306 1.00 1.00 H new ATOM 0 HB2 PHE A 69 127.089 25.168 -2.121 1.00 1.00 H new ATOM 0 HB3 PHE A 69 126.826 23.436 -2.173 1.00 1.00 H new ATOM 0 HD1 PHE A 69 125.175 26.573 -0.889 1.00 1.00 H new ATOM 0 HD2 PHE A 69 124.661 22.624 -2.504 1.00 1.00 H new ATOM 0 HE1 PHE A 69 122.721 26.938 -1.013 1.00 1.00 H new ATOM 0 HE2 PHE A 69 122.216 22.997 -2.640 1.00 1.00 H new ATOM 0 HZ PHE A 69 121.246 25.153 -1.898 1.00 1.00 H new ATOM 1105 N ALA A 70 126.321 21.980 0.286 1.00 1.00 N ATOM 1106 CA ALA A 70 125.525 20.944 0.903 1.00 1.00 C ATOM 1107 C ALA A 70 125.827 20.755 2.386 1.00 1.00 C ATOM 1108 O ALA A 70 124.924 20.472 3.174 1.00 1.00 O ATOM 1109 CB ALA A 70 125.740 19.623 0.163 1.00 1.00 C ATOM 0 H ALA A 70 126.997 21.638 -0.397 1.00 1.00 H new ATOM 0 HA ALA A 70 124.484 21.261 0.831 1.00 1.00 H new ATOM 0 HB1 ALA A 70 125.139 18.843 0.630 1.00 1.00 H new ATOM 0 HB2 ALA A 70 125.441 19.737 -0.879 1.00 1.00 H new ATOM 0 HB3 ALA A 70 126.793 19.347 0.210 1.00 1.00 H new ATOM 1115 N GLY A 71 127.086 20.902 2.769 1.00 1.00 N ATOM 1116 CA GLY A 71 127.459 20.727 4.159 1.00 1.00 C ATOM 1117 C GLY A 71 126.831 21.806 5.016 1.00 1.00 C ATOM 1118 O GLY A 71 126.434 21.558 6.154 1.00 1.00 O ATOM 0 H GLY A 71 127.856 21.139 2.144 1.00 1.00 H new ATOM 0 HA2 GLY A 71 127.138 19.745 4.507 1.00 1.00 H new ATOM 0 HA3 GLY A 71 128.544 20.761 4.258 1.00 1.00 H new ATOM 1122 N VAL A 72 126.768 23.014 4.475 1.00 1.00 N ATOM 1123 CA VAL A 72 126.217 24.133 5.202 1.00 1.00 C ATOM 1124 C VAL A 72 124.690 24.220 5.082 1.00 1.00 C ATOM 1125 O VAL A 72 124.022 24.551 6.062 1.00 1.00 O ATOM 1126 CB VAL A 72 126.874 25.425 4.705 1.00 1.00 C ATOM 1127 CG1 VAL A 72 125.939 26.608 4.924 1.00 1.00 C ATOM 1128 CG2 VAL A 72 128.175 25.661 5.480 1.00 1.00 C ATOM 0 H VAL A 72 127.093 23.238 3.535 1.00 1.00 H new ATOM 0 HA VAL A 72 126.433 23.987 6.260 1.00 1.00 H new ATOM 0 HB VAL A 72 127.086 25.330 3.640 1.00 1.00 H new ATOM 0 HG11 VAL A 72 126.417 27.520 4.567 1.00 1.00 H new ATOM 0 HG12 VAL A 72 125.012 26.445 4.375 1.00 1.00 H new ATOM 0 HG13 VAL A 72 125.719 26.706 5.987 1.00 1.00 H new ATOM 0 HG21 VAL A 72 128.646 26.579 5.129 1.00 1.00 H new ATOM 0 HG22 VAL A 72 127.954 25.750 6.544 1.00 1.00 H new ATOM 0 HG23 VAL A 72 128.852 24.822 5.319 1.00 1.00 H new ATOM 1138 N HIS A 73 124.141 24.023 3.878 1.00 1.00 N ATOM 1139 CA HIS A 73 122.700 24.192 3.663 1.00 1.00 C ATOM 1140 C HIS A 73 121.874 22.911 3.466 1.00 1.00 C ATOM 1141 O HIS A 73 120.657 23.032 3.327 1.00 1.00 O ATOM 1142 CB HIS A 73 122.476 25.078 2.433 1.00 1.00 C ATOM 1143 CG HIS A 73 122.742 26.520 2.771 1.00 1.00 C ATOM 1144 ND1 HIS A 73 122.018 27.197 3.739 1.00 1.00 N ATOM 1145 CD2 HIS A 73 123.626 27.437 2.256 1.00 1.00 C ATOM 1146 CE1 HIS A 73 122.472 28.464 3.775 1.00 1.00 C ATOM 1147 NE2 HIS A 73 123.452 28.664 2.891 1.00 1.00 N ATOM 0 H HIS A 73 124.665 23.750 3.047 1.00 1.00 H new ATOM 0 HA HIS A 73 122.345 24.632 4.595 1.00 1.00 H new ATOM 0 HB2 HIS A 73 123.133 24.760 1.623 1.00 1.00 H new ATOM 0 HB3 HIS A 73 121.452 24.964 2.076 1.00 1.00 H new ATOM 0 HD2 HIS A 73 124.347 27.237 1.477 1.00 1.00 H new ATOM 0 HE1 HIS A 73 122.090 29.226 4.438 1.00 1.00 H new ATOM 0 HE2 HIS A 73 123.963 29.529 2.718 1.00 1.00 H new ATOM 1155 N LEU A 74 122.464 21.706 3.387 1.00 1.00 N ATOM 1156 CA LEU A 74 121.608 20.532 3.127 1.00 1.00 C ATOM 1157 C LEU A 74 121.943 19.266 3.903 1.00 1.00 C ATOM 1158 O LEU A 74 123.038 19.112 4.444 1.00 1.00 O ATOM 1159 CB LEU A 74 121.656 20.155 1.646 1.00 1.00 C ATOM 1160 CG LEU A 74 120.964 21.207 0.774 1.00 1.00 C ATOM 1161 CD1 LEU A 74 121.989 22.204 0.235 1.00 1.00 C ATOM 1162 CD2 LEU A 74 120.298 20.490 -0.396 1.00 1.00 C ATOM 0 H LEU A 74 123.462 21.521 3.491 1.00 1.00 H new ATOM 0 HA LEU A 74 120.626 20.866 3.461 1.00 1.00 H new ATOM 0 HB2 LEU A 74 122.694 20.046 1.331 1.00 1.00 H new ATOM 0 HB3 LEU A 74 121.175 19.188 1.500 1.00 1.00 H new ATOM 0 HG LEU A 74 120.227 21.749 1.366 1.00 1.00 H new ATOM 0 HD11 LEU A 74 121.484 22.946 -0.383 1.00 1.00 H new ATOM 0 HD12 LEU A 74 122.485 22.702 1.068 1.00 1.00 H new ATOM 0 HD13 LEU A 74 122.730 21.676 -0.365 1.00 1.00 H new ATOM 0 HD21 LEU A 74 119.798 21.220 -1.033 1.00 1.00 H new ATOM 0 HD22 LEU A 74 121.054 19.960 -0.976 1.00 1.00 H new ATOM 0 HD23 LEU A 74 119.566 19.777 -0.017 1.00 1.00 H new ATOM 1174 N HIS A 75 121.011 18.319 3.833 1.00 1.00 N ATOM 1175 CA HIS A 75 121.195 16.993 4.395 1.00 1.00 C ATOM 1176 C HIS A 75 121.210 16.056 3.193 1.00 1.00 C ATOM 1177 O HIS A 75 120.261 16.052 2.409 1.00 1.00 O ATOM 1178 CB HIS A 75 120.055 16.633 5.354 1.00 1.00 C ATOM 1179 CG HIS A 75 120.102 17.545 6.547 1.00 1.00 C ATOM 1180 ND1 HIS A 75 121.176 17.556 7.424 1.00 1.00 N ATOM 1181 CD2 HIS A 75 119.217 18.478 7.025 1.00 1.00 C ATOM 1182 CE1 HIS A 75 120.913 18.469 8.375 1.00 1.00 C ATOM 1183 NE2 HIS A 75 119.732 19.060 8.181 1.00 1.00 N ATOM 0 H HIS A 75 120.106 18.455 3.383 1.00 1.00 H new ATOM 0 HA HIS A 75 122.112 16.925 4.981 1.00 1.00 H new ATOM 0 HB2 HIS A 75 119.095 16.728 4.847 1.00 1.00 H new ATOM 0 HB3 HIS A 75 120.146 15.594 5.672 1.00 1.00 H new ATOM 0 HD1 HIS A 75 122.013 16.977 7.359 1.00 1.00 H new ATOM 0 HD2 HIS A 75 118.267 18.724 6.574 1.00 1.00 H new ATOM 0 HE1 HIS A 75 121.577 18.697 9.196 1.00 1.00 H new ATOM 1191 N MET A 76 122.286 15.294 3.015 1.00 1.00 N ATOM 1192 CA MET A 76 122.376 14.409 1.852 1.00 1.00 C ATOM 1193 C MET A 76 122.077 12.967 2.222 1.00 1.00 C ATOM 1194 O MET A 76 122.543 12.465 3.246 1.00 1.00 O ATOM 1195 CB MET A 76 123.771 14.497 1.222 1.00 1.00 C ATOM 1196 CG MET A 76 124.100 15.953 0.867 1.00 1.00 C ATOM 1197 SD MET A 76 122.847 16.633 -0.257 1.00 1.00 S ATOM 1198 CE MET A 76 123.157 15.541 -1.666 1.00 1.00 C ATOM 0 H MET A 76 123.090 15.268 3.642 1.00 1.00 H new ATOM 0 HA MET A 76 121.628 14.740 1.132 1.00 1.00 H new ATOM 0 HB2 MET A 76 124.516 14.106 1.915 1.00 1.00 H new ATOM 0 HB3 MET A 76 123.813 13.878 0.326 1.00 1.00 H new ATOM 0 HG2 MET A 76 124.146 16.553 1.776 1.00 1.00 H new ATOM 0 HG3 MET A 76 125.083 16.006 0.400 1.00 1.00 H new ATOM 0 HE1 MET A 76 122.824 16.027 -2.583 1.00 1.00 H new ATOM 0 HE2 MET A 76 124.224 15.330 -1.735 1.00 1.00 H new ATOM 0 HE3 MET A 76 122.610 14.608 -1.530 1.00 1.00 H new ATOM 1208 N VAL A 77 121.306 12.305 1.364 1.00 1.00 N ATOM 1209 CA VAL A 77 120.949 10.919 1.580 1.00 1.00 C ATOM 1210 C VAL A 77 121.336 10.125 0.345 1.00 1.00 C ATOM 1211 O VAL A 77 121.017 10.518 -0.777 1.00 1.00 O ATOM 1212 CB VAL A 77 119.440 10.811 1.821 1.00 1.00 C ATOM 1213 CG1 VAL A 77 119.015 9.344 1.859 1.00 1.00 C ATOM 1214 CG2 VAL A 77 119.083 11.474 3.152 1.00 1.00 C ATOM 0 H VAL A 77 120.919 12.713 0.513 1.00 1.00 H new ATOM 0 HA VAL A 77 121.472 10.525 2.451 1.00 1.00 H new ATOM 0 HB VAL A 77 118.918 11.314 1.007 1.00 1.00 H new ATOM 0 HG11 VAL A 77 117.940 9.281 2.031 1.00 1.00 H new ATOM 0 HG12 VAL A 77 119.259 8.870 0.908 1.00 1.00 H new ATOM 0 HG13 VAL A 77 119.542 8.833 2.665 1.00 1.00 H new ATOM 0 HG21 VAL A 77 118.009 11.396 3.321 1.00 1.00 H new ATOM 0 HG22 VAL A 77 119.615 10.974 3.962 1.00 1.00 H new ATOM 0 HG23 VAL A 77 119.370 12.525 3.123 1.00 1.00 H new ATOM 1224 N GLU A 78 122.024 9.013 0.552 1.00 1.00 N ATOM 1225 CA GLU A 78 122.441 8.186 -0.565 1.00 1.00 C ATOM 1226 C GLU A 78 121.447 7.061 -0.770 1.00 1.00 C ATOM 1227 O GLU A 78 121.169 6.288 0.148 1.00 1.00 O ATOM 1228 CB GLU A 78 123.838 7.609 -0.320 1.00 1.00 C ATOM 1229 CG GLU A 78 124.294 6.844 -1.567 1.00 1.00 C ATOM 1230 CD GLU A 78 125.745 6.402 -1.410 1.00 1.00 C ATOM 1231 OE1 GLU A 78 126.265 6.520 -0.314 1.00 1.00 O ATOM 1232 OE2 GLU A 78 126.313 5.950 -2.392 1.00 1.00 O ATOM 0 H GLU A 78 122.302 8.667 1.471 1.00 1.00 H new ATOM 0 HA GLU A 78 122.476 8.806 -1.461 1.00 1.00 H new ATOM 0 HB2 GLU A 78 124.541 8.411 -0.094 1.00 1.00 H new ATOM 0 HB3 GLU A 78 123.823 6.944 0.544 1.00 1.00 H new ATOM 0 HG2 GLU A 78 123.656 5.974 -1.723 1.00 1.00 H new ATOM 0 HG3 GLU A 78 124.192 7.477 -2.449 1.00 1.00 H new ATOM 1239 N VAL A 79 120.926 6.971 -1.984 1.00 1.00 N ATOM 1240 CA VAL A 79 119.967 5.934 -2.318 1.00 1.00 C ATOM 1241 C VAL A 79 120.433 5.240 -3.585 1.00 1.00 C ATOM 1242 O VAL A 79 120.273 5.749 -4.691 1.00 1.00 O ATOM 1243 CB VAL A 79 118.582 6.551 -2.525 1.00 1.00 C ATOM 1244 CG1 VAL A 79 117.507 5.501 -2.242 1.00 1.00 C ATOM 1245 CG2 VAL A 79 118.410 7.729 -1.564 1.00 1.00 C ATOM 0 H VAL A 79 121.152 7.603 -2.752 1.00 1.00 H new ATOM 0 HA VAL A 79 119.898 5.210 -1.506 1.00 1.00 H new ATOM 0 HB VAL A 79 118.485 6.898 -3.554 1.00 1.00 H new ATOM 0 HG11 VAL A 79 116.521 5.941 -2.390 1.00 1.00 H new ATOM 0 HG12 VAL A 79 117.634 4.658 -2.922 1.00 1.00 H new ATOM 0 HG13 VAL A 79 117.599 5.154 -1.213 1.00 1.00 H new ATOM 0 HG21 VAL A 79 117.425 8.174 -1.706 1.00 1.00 H new ATOM 0 HG22 VAL A 79 118.505 7.377 -0.537 1.00 1.00 H new ATOM 0 HG23 VAL A 79 119.178 8.477 -1.764 1.00 1.00 H new ATOM 1255 N ASP A 80 121.122 4.125 -3.376 1.00 1.00 N ATOM 1256 CA ASP A 80 121.748 3.417 -4.481 1.00 1.00 C ATOM 1257 C ASP A 80 121.055 2.134 -4.910 1.00 1.00 C ATOM 1258 O ASP A 80 120.552 1.384 -4.075 1.00 1.00 O ATOM 1259 CB ASP A 80 123.188 3.093 -4.100 1.00 1.00 C ATOM 1260 CG ASP A 80 123.205 2.172 -2.886 1.00 1.00 C ATOM 1261 OD1 ASP A 80 122.141 1.917 -2.347 1.00 1.00 O ATOM 1262 OD2 ASP A 80 124.280 1.734 -2.513 1.00 1.00 O ATOM 0 H ASP A 80 121.260 3.696 -2.461 1.00 1.00 H new ATOM 0 HA ASP A 80 121.680 4.088 -5.338 1.00 1.00 H new ATOM 0 HB2 ASP A 80 123.697 2.616 -4.937 1.00 1.00 H new ATOM 0 HB3 ASP A 80 123.731 4.012 -3.879 1.00 1.00 H new ATOM 1267 N PHE A 81 121.074 1.865 -6.208 1.00 1.00 N ATOM 1268 CA PHE A 81 120.491 0.644 -6.736 1.00 1.00 C ATOM 1269 C PHE A 81 121.545 -0.055 -7.596 1.00 1.00 C ATOM 1270 O PHE A 81 121.489 0.000 -8.824 1.00 1.00 O ATOM 1271 CB PHE A 81 119.258 0.981 -7.577 1.00 1.00 C ATOM 1272 CG PHE A 81 118.232 1.658 -6.697 1.00 1.00 C ATOM 1273 CD1 PHE A 81 118.451 2.964 -6.236 1.00 1.00 C ATOM 1274 CD2 PHE A 81 117.063 0.978 -6.335 1.00 1.00 C ATOM 1275 CE1 PHE A 81 117.502 3.585 -5.416 1.00 1.00 C ATOM 1276 CE2 PHE A 81 116.115 1.600 -5.515 1.00 1.00 C ATOM 1277 CZ PHE A 81 116.334 2.903 -5.055 1.00 1.00 C ATOM 0 H PHE A 81 121.487 2.476 -6.912 1.00 1.00 H new ATOM 0 HA PHE A 81 120.182 -0.012 -5.923 1.00 1.00 H new ATOM 0 HB2 PHE A 81 119.534 1.634 -8.405 1.00 1.00 H new ATOM 0 HB3 PHE A 81 118.840 0.074 -8.013 1.00 1.00 H new ATOM 0 HD1 PHE A 81 119.352 3.491 -6.514 1.00 1.00 H new ATOM 0 HD2 PHE A 81 116.893 -0.028 -6.689 1.00 1.00 H new ATOM 0 HE1 PHE A 81 117.671 4.591 -5.061 1.00 1.00 H new ATOM 0 HE2 PHE A 81 115.214 1.074 -5.237 1.00 1.00 H new ATOM 0 HZ PHE A 81 115.602 3.382 -4.422 1.00 1.00 H new ATOM 1287 N PRO A 82 122.525 -0.670 -6.975 1.00 1.00 N ATOM 1288 CA PRO A 82 123.643 -1.348 -7.697 1.00 1.00 C ATOM 1289 C PRO A 82 123.262 -2.690 -8.314 1.00 1.00 C ATOM 1290 O PRO A 82 122.253 -3.292 -7.948 1.00 1.00 O ATOM 1291 CB PRO A 82 124.706 -1.516 -6.616 1.00 1.00 C ATOM 1292 CG PRO A 82 123.939 -1.656 -5.349 1.00 1.00 C ATOM 1293 CD PRO A 82 122.684 -0.796 -5.509 1.00 1.00 C ATOM 0 HA PRO A 82 123.972 -0.763 -8.556 1.00 1.00 H new ATOM 0 HB2 PRO A 82 125.325 -2.393 -6.803 1.00 1.00 H new ATOM 0 HB3 PRO A 82 125.374 -0.656 -6.581 1.00 1.00 H new ATOM 0 HG2 PRO A 82 123.676 -2.698 -5.167 1.00 1.00 H new ATOM 0 HG3 PRO A 82 124.532 -1.324 -4.497 1.00 1.00 H new ATOM 0 HD2 PRO A 82 121.815 -1.269 -5.052 1.00 1.00 H new ATOM 0 HD3 PRO A 82 122.804 0.178 -5.035 1.00 1.00 H new ATOM 1301 N GLN A 83 124.102 -3.165 -9.227 1.00 1.00 N ATOM 1302 CA GLN A 83 123.861 -4.458 -9.858 1.00 1.00 C ATOM 1303 C GLN A 83 124.177 -5.569 -8.866 1.00 1.00 C ATOM 1304 O GLN A 83 123.429 -6.538 -8.730 1.00 1.00 O ATOM 1305 CB GLN A 83 124.732 -4.614 -11.106 1.00 1.00 C ATOM 1306 CG GLN A 83 126.195 -4.788 -10.691 1.00 1.00 C ATOM 1307 CD GLN A 83 127.103 -4.591 -11.900 1.00 1.00 C ATOM 1308 OE1 GLN A 83 126.662 -4.084 -12.932 1.00 1.00 O ATOM 1309 NE2 GLN A 83 128.353 -4.955 -11.831 1.00 1.00 N ATOM 0 H GLN A 83 124.944 -2.683 -9.543 1.00 1.00 H new ATOM 0 HA GLN A 83 122.814 -4.519 -10.156 1.00 1.00 H new ATOM 0 HB2 GLN A 83 124.403 -5.476 -11.686 1.00 1.00 H new ATOM 0 HB3 GLN A 83 124.627 -3.739 -11.747 1.00 1.00 H new ATOM 0 HG2 GLN A 83 126.450 -4.069 -9.913 1.00 1.00 H new ATOM 0 HG3 GLN A 83 126.347 -5.781 -10.269 1.00 1.00 H new ATOM 0 HE21 GLN A 83 128.715 -5.375 -10.975 1.00 1.00 H new ATOM 0 HE22 GLN A 83 128.968 -4.820 -12.633 1.00 1.00 H new ATOM 1318 N LYS A 84 125.262 -5.377 -8.130 1.00 1.00 N ATOM 1319 CA LYS A 84 125.665 -6.299 -7.093 1.00 1.00 C ATOM 1320 C LYS A 84 125.187 -5.705 -5.783 1.00 1.00 C ATOM 1321 O LYS A 84 125.788 -4.791 -5.220 1.00 1.00 O ATOM 1322 CB LYS A 84 127.177 -6.459 -7.091 1.00 1.00 C ATOM 1323 CG LYS A 84 127.569 -7.493 -6.043 1.00 1.00 C ATOM 1324 CD LYS A 84 129.072 -7.727 -6.107 1.00 1.00 C ATOM 1325 CE LYS A 84 129.462 -8.772 -5.067 1.00 1.00 C ATOM 1326 NZ LYS A 84 130.928 -9.024 -5.136 1.00 1.00 N ATOM 0 H LYS A 84 125.884 -4.576 -8.239 1.00 1.00 H new ATOM 0 HA LYS A 84 125.237 -7.289 -7.251 1.00 1.00 H new ATOM 0 HB2 LYS A 84 127.523 -6.773 -8.076 1.00 1.00 H new ATOM 0 HB3 LYS A 84 127.656 -5.504 -6.874 1.00 1.00 H new ATOM 0 HG2 LYS A 84 127.285 -7.147 -5.049 1.00 1.00 H new ATOM 0 HG3 LYS A 84 127.036 -8.427 -6.219 1.00 1.00 H new ATOM 0 HD2 LYS A 84 129.357 -8.064 -7.103 1.00 1.00 H new ATOM 0 HD3 LYS A 84 129.605 -6.795 -5.921 1.00 1.00 H new ATOM 0 HE2 LYS A 84 129.189 -8.427 -4.070 1.00 1.00 H new ATOM 0 HE3 LYS A 84 128.915 -9.698 -5.245 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 131.192 -9.737 -4.426 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 131.176 -9.372 -6.084 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 131.442 -8.140 -4.946 1.00 1.00 H new ATOM 1340 N ASN A 85 124.057 -6.219 -5.361 1.00 1.00 N ATOM 1341 CA ASN A 85 123.389 -5.739 -4.155 1.00 1.00 C ATOM 1342 C ASN A 85 123.831 -6.458 -2.882 1.00 1.00 C ATOM 1343 O ASN A 85 123.840 -7.686 -2.784 1.00 1.00 O ATOM 1344 CB ASN A 85 121.878 -5.904 -4.319 1.00 1.00 C ATOM 1345 CG ASN A 85 121.364 -4.946 -5.387 1.00 1.00 C ATOM 1346 OD1 ASN A 85 120.877 -5.382 -6.430 1.00 1.00 O ATOM 1347 ND2 ASN A 85 121.439 -3.659 -5.186 1.00 1.00 N ATOM 0 H ASN A 85 123.569 -6.979 -5.835 1.00 1.00 H new ATOM 0 HA ASN A 85 123.668 -4.692 -4.040 1.00 1.00 H new ATOM 0 HB2 ASN A 85 121.644 -6.932 -4.597 1.00 1.00 H new ATOM 0 HB3 ASN A 85 121.377 -5.708 -3.371 1.00 1.00 H new ATOM 0 HD21 ASN A 85 121.094 -3.011 -5.894 1.00 1.00 H new ATOM 0 HD22 ASN A 85 121.843 -3.301 -4.321 1.00 1.00 H new ATOM 1354 N HIS A 86 124.192 -5.618 -1.914 1.00 1.00 N ATOM 1355 CA HIS A 86 124.643 -6.120 -0.620 1.00 1.00 C ATOM 1356 C HIS A 86 124.014 -5.332 0.527 1.00 1.00 C ATOM 1357 O HIS A 86 124.478 -5.416 1.664 1.00 1.00 O ATOM 1358 CB HIS A 86 126.168 -6.033 -0.527 1.00 1.00 C ATOM 1359 CG HIS A 86 126.770 -7.306 -1.052 1.00 1.00 C ATOM 1360 ND1 HIS A 86 126.508 -8.535 -0.470 1.00 1.00 N ATOM 1361 CD2 HIS A 86 127.619 -7.560 -2.101 1.00 1.00 C ATOM 1362 CE1 HIS A 86 127.187 -9.466 -1.165 1.00 1.00 C ATOM 1363 NE2 HIS A 86 127.881 -8.927 -2.169 1.00 1.00 N ATOM 0 H HIS A 86 124.181 -4.602 -1.999 1.00 1.00 H new ATOM 0 HA HIS A 86 124.330 -7.161 -0.535 1.00 1.00 H new ATOM 0 HB2 HIS A 86 126.531 -5.181 -1.102 1.00 1.00 H new ATOM 0 HB3 HIS A 86 126.472 -5.873 0.507 1.00 1.00 H new ATOM 0 HD1 HIS A 86 125.909 -8.704 0.338 1.00 1.00 H new ATOM 0 HD2 HIS A 86 128.022 -6.815 -2.771 1.00 1.00 H new ATOM 0 HE1 HIS A 86 127.172 -10.522 -0.938 1.00 1.00 H new ATOM 1371 N GLN A 87 122.957 -4.576 0.243 1.00 1.00 N ATOM 1372 CA GLN A 87 122.300 -3.804 1.292 1.00 1.00 C ATOM 1373 C GLN A 87 121.319 -4.693 2.078 1.00 1.00 C ATOM 1374 O GLN A 87 120.713 -5.590 1.494 1.00 1.00 O ATOM 1375 CB GLN A 87 121.531 -2.631 0.682 1.00 1.00 C ATOM 1376 CG GLN A 87 122.511 -1.655 0.032 1.00 1.00 C ATOM 1377 CD GLN A 87 122.789 -0.491 0.977 1.00 1.00 C ATOM 1378 OE1 GLN A 87 122.477 0.656 0.660 1.00 1.00 O ATOM 1379 NE2 GLN A 87 123.358 -0.719 2.130 1.00 1.00 N ATOM 0 H GLN A 87 122.544 -4.482 -0.685 1.00 1.00 H new ATOM 0 HA GLN A 87 123.067 -3.426 1.968 1.00 1.00 H new ATOM 0 HB2 GLN A 87 120.820 -2.996 -0.060 1.00 1.00 H new ATOM 0 HB3 GLN A 87 120.953 -2.122 1.453 1.00 1.00 H new ATOM 0 HG2 GLN A 87 123.442 -2.168 -0.210 1.00 1.00 H new ATOM 0 HG3 GLN A 87 122.099 -1.283 -0.906 1.00 1.00 H new ATOM 0 HE21 GLN A 87 123.616 -1.670 2.392 1.00 1.00 H new ATOM 0 HE22 GLN A 87 123.544 0.054 2.769 1.00 1.00 H new ATOM 1388 N PRO A 88 121.125 -4.469 3.367 1.00 1.00 N ATOM 1389 CA PRO A 88 120.166 -5.289 4.169 1.00 1.00 C ATOM 1390 C PRO A 88 118.743 -5.182 3.628 1.00 1.00 C ATOM 1391 O PRO A 88 118.392 -4.203 2.972 1.00 1.00 O ATOM 1392 CB PRO A 88 120.219 -4.708 5.581 1.00 1.00 C ATOM 1393 CG PRO A 88 121.381 -3.772 5.632 1.00 1.00 C ATOM 1394 CD PRO A 88 121.790 -3.444 4.196 1.00 1.00 C ATOM 0 HA PRO A 88 120.437 -6.344 4.134 1.00 1.00 H new ATOM 0 HB2 PRO A 88 119.293 -4.184 5.816 1.00 1.00 H new ATOM 0 HB3 PRO A 88 120.332 -5.502 6.319 1.00 1.00 H new ATOM 0 HG2 PRO A 88 121.113 -2.862 6.169 1.00 1.00 H new ATOM 0 HG3 PRO A 88 122.213 -4.227 6.170 1.00 1.00 H new ATOM 0 HD2 PRO A 88 121.471 -2.440 3.914 1.00 1.00 H new ATOM 0 HD3 PRO A 88 122.873 -3.480 4.076 1.00 1.00 H new ATOM 1402 N GLU A 89 117.938 -6.211 3.877 1.00 1.00 N ATOM 1403 CA GLU A 89 116.567 -6.235 3.384 1.00 1.00 C ATOM 1404 C GLU A 89 115.813 -4.958 3.739 1.00 1.00 C ATOM 1405 O GLU A 89 115.136 -4.384 2.891 1.00 1.00 O ATOM 1406 CB GLU A 89 115.829 -7.436 3.969 1.00 1.00 C ATOM 1407 CG GLU A 89 116.428 -8.723 3.403 1.00 1.00 C ATOM 1408 CD GLU A 89 115.692 -9.933 3.961 1.00 1.00 C ATOM 1409 OE1 GLU A 89 114.814 -9.742 4.785 1.00 1.00 O ATOM 1410 OE2 GLU A 89 116.013 -11.036 3.550 1.00 1.00 O ATOM 0 H GLU A 89 118.210 -7.034 4.414 1.00 1.00 H new ATOM 0 HA GLU A 89 116.609 -6.311 2.297 1.00 1.00 H new ATOM 0 HB2 GLU A 89 115.909 -7.432 5.056 1.00 1.00 H new ATOM 0 HB3 GLU A 89 114.768 -7.378 3.727 1.00 1.00 H new ATOM 0 HG2 GLU A 89 116.361 -8.717 2.315 1.00 1.00 H new ATOM 0 HG3 GLU A 89 117.486 -8.783 3.657 1.00 1.00 H new ATOM 1417 N GLU A 90 115.904 -4.517 4.987 1.00 1.00 N ATOM 1418 CA GLU A 90 115.187 -3.319 5.408 1.00 1.00 C ATOM 1419 C GLU A 90 115.586 -2.116 4.563 1.00 1.00 C ATOM 1420 O GLU A 90 114.749 -1.289 4.207 1.00 1.00 O ATOM 1421 CB GLU A 90 115.489 -3.027 6.879 1.00 1.00 C ATOM 1422 CG GLU A 90 114.887 -4.125 7.755 1.00 1.00 C ATOM 1423 CD GLU A 90 115.239 -3.875 9.217 1.00 1.00 C ATOM 1424 OE1 GLU A 90 115.919 -2.897 9.484 1.00 1.00 O ATOM 1425 OE2 GLU A 90 114.823 -4.663 10.050 1.00 1.00 O ATOM 0 H GLU A 90 116.459 -4.963 5.717 1.00 1.00 H new ATOM 0 HA GLU A 90 114.120 -3.497 5.275 1.00 1.00 H new ATOM 0 HB2 GLU A 90 116.566 -2.973 7.036 1.00 1.00 H new ATOM 0 HB3 GLU A 90 115.077 -2.058 7.160 1.00 1.00 H new ATOM 0 HG2 GLU A 90 113.804 -4.148 7.632 1.00 1.00 H new ATOM 0 HG3 GLU A 90 115.264 -5.099 7.443 1.00 1.00 H new ATOM 1432 N GLN A 91 116.866 -2.031 4.247 1.00 1.00 N ATOM 1433 CA GLN A 91 117.372 -0.928 3.443 1.00 1.00 C ATOM 1434 C GLN A 91 116.880 -1.044 2.003 1.00 1.00 C ATOM 1435 O GLN A 91 116.514 -0.041 1.390 1.00 1.00 O ATOM 1436 CB GLN A 91 118.903 -0.940 3.478 1.00 1.00 C ATOM 1437 CG GLN A 91 119.457 0.287 2.749 1.00 1.00 C ATOM 1438 CD GLN A 91 119.070 1.556 3.501 1.00 1.00 C ATOM 1439 OE1 GLN A 91 119.107 1.585 4.732 1.00 1.00 O ATOM 1440 NE2 GLN A 91 118.696 2.612 2.834 1.00 1.00 N ATOM 0 H GLN A 91 117.573 -2.708 4.532 1.00 1.00 H new ATOM 0 HA GLN A 91 117.004 0.012 3.854 1.00 1.00 H new ATOM 0 HB2 GLN A 91 119.251 -0.946 4.511 1.00 1.00 H new ATOM 0 HB3 GLN A 91 119.278 -1.850 3.010 1.00 1.00 H new ATOM 0 HG2 GLN A 91 120.542 0.216 2.672 1.00 1.00 H new ATOM 0 HG3 GLN A 91 119.067 0.323 1.732 1.00 1.00 H new ATOM 0 HE21 GLN A 91 118.666 2.587 1.815 1.00 1.00 H new ATOM 0 HE22 GLN A 91 118.434 3.463 3.331 1.00 1.00 H new ATOM 1449 N ARG A 92 116.872 -2.258 1.462 1.00 1.00 N ATOM 1450 CA ARG A 92 116.424 -2.466 0.087 1.00 1.00 C ATOM 1451 C ARG A 92 114.937 -2.163 -0.050 1.00 1.00 C ATOM 1452 O ARG A 92 114.516 -1.529 -1.017 1.00 1.00 O ATOM 1453 CB ARG A 92 116.679 -3.914 -0.326 1.00 1.00 C ATOM 1454 CG ARG A 92 118.181 -4.152 -0.456 1.00 1.00 C ATOM 1455 CD ARG A 92 118.434 -5.629 -0.750 1.00 1.00 C ATOM 1456 NE ARG A 92 117.895 -5.976 -2.057 1.00 1.00 N ATOM 1457 CZ ARG A 92 117.873 -7.236 -2.475 1.00 1.00 C ATOM 1458 NH1 ARG A 92 118.278 -8.193 -1.685 1.00 1.00 N ATOM 1459 NH2 ARG A 92 117.436 -7.517 -3.671 1.00 1.00 N ATOM 0 H ARG A 92 117.167 -3.105 1.947 1.00 1.00 H new ATOM 0 HA ARG A 92 116.983 -1.790 -0.560 1.00 1.00 H new ATOM 0 HB2 ARG A 92 116.255 -4.594 0.413 1.00 1.00 H new ATOM 0 HB3 ARG A 92 116.184 -4.125 -1.274 1.00 1.00 H new ATOM 0 HG2 ARG A 92 118.591 -3.535 -1.255 1.00 1.00 H new ATOM 0 HG3 ARG A 92 118.688 -3.860 0.464 1.00 1.00 H new ATOM 0 HD2 ARG A 92 119.504 -5.836 -0.722 1.00 1.00 H new ATOM 0 HD3 ARG A 92 117.970 -6.246 0.019 1.00 1.00 H new ATOM 0 HE ARG A 92 117.529 -5.240 -2.661 1.00 1.00 H new ATOM 0 HH11 ARG A 92 118.611 -7.973 -0.746 1.00 1.00 H new ATOM 0 HH12 ARG A 92 118.261 -9.161 -2.006 1.00 1.00 H new ATOM 0 HH21 ARG A 92 117.112 -6.769 -4.284 1.00 1.00 H new ATOM 0 HH22 ARG A 92 117.419 -8.485 -3.993 1.00 1.00 H new ATOM 1473 N GLN A 93 114.143 -2.617 0.911 1.00 1.00 N ATOM 1474 CA GLN A 93 112.706 -2.384 0.865 1.00 1.00 C ATOM 1475 C GLN A 93 112.408 -0.897 0.928 1.00 1.00 C ATOM 1476 O GLN A 93 111.577 -0.380 0.180 1.00 1.00 O ATOM 1477 CB GLN A 93 112.047 -3.086 2.049 1.00 1.00 C ATOM 1478 CG GLN A 93 112.196 -4.594 1.885 1.00 1.00 C ATOM 1479 CD GLN A 93 111.348 -5.081 0.715 1.00 1.00 C ATOM 1480 OE1 GLN A 93 110.147 -4.817 0.665 1.00 1.00 O ATOM 1481 NE2 GLN A 93 111.908 -5.775 -0.239 1.00 1.00 N ATOM 0 H GLN A 93 114.465 -3.143 1.723 1.00 1.00 H new ATOM 0 HA GLN A 93 112.311 -2.780 -0.070 1.00 1.00 H new ATOM 0 HB2 GLN A 93 112.509 -2.762 2.982 1.00 1.00 H new ATOM 0 HB3 GLN A 93 110.992 -2.817 2.105 1.00 1.00 H new ATOM 0 HG2 GLN A 93 113.243 -4.847 1.716 1.00 1.00 H new ATOM 0 HG3 GLN A 93 111.890 -5.099 2.801 1.00 1.00 H new ATOM 0 HE21 GLN A 93 112.904 -5.992 -0.195 1.00 1.00 H new ATOM 0 HE22 GLN A 93 111.350 -6.100 -1.028 1.00 1.00 H new ATOM 1490 N LYS A 94 113.086 -0.217 1.835 1.00 1.00 N ATOM 1491 CA LYS A 94 112.894 1.209 2.015 1.00 1.00 C ATOM 1492 C LYS A 94 113.255 1.978 0.744 1.00 1.00 C ATOM 1493 O LYS A 94 112.519 2.863 0.306 1.00 1.00 O ATOM 1494 CB LYS A 94 113.760 1.663 3.181 1.00 1.00 C ATOM 1495 CG LYS A 94 113.526 3.136 3.443 1.00 1.00 C ATOM 1496 CD LYS A 94 114.310 3.554 4.675 1.00 1.00 C ATOM 1497 CE LYS A 94 114.077 5.033 4.906 1.00 1.00 C ATOM 1498 NZ LYS A 94 114.778 5.457 6.152 1.00 1.00 N ATOM 0 H LYS A 94 113.777 -0.632 2.460 1.00 1.00 H new ATOM 0 HA LYS A 94 111.844 1.413 2.227 1.00 1.00 H new ATOM 0 HB2 LYS A 94 113.522 1.082 4.072 1.00 1.00 H new ATOM 0 HB3 LYS A 94 114.812 1.486 2.957 1.00 1.00 H new ATOM 0 HG2 LYS A 94 113.839 3.725 2.581 1.00 1.00 H new ATOM 0 HG3 LYS A 94 112.463 3.327 3.591 1.00 1.00 H new ATOM 0 HD2 LYS A 94 113.989 2.979 5.543 1.00 1.00 H new ATOM 0 HD3 LYS A 94 115.372 3.354 4.535 1.00 1.00 H new ATOM 0 HE2 LYS A 94 114.445 5.607 4.056 1.00 1.00 H new ATOM 0 HE3 LYS A 94 113.009 5.235 4.990 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 114.299 6.288 6.554 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 114.760 4.679 6.842 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 115.765 5.699 5.930 1.00 1.00 H new ATOM 1512 N ASN A 95 114.395 1.636 0.168 1.00 1.00 N ATOM 1513 CA ASN A 95 114.854 2.301 -1.045 1.00 1.00 C ATOM 1514 C ASN A 95 113.841 2.126 -2.172 1.00 1.00 C ATOM 1515 O ASN A 95 113.593 3.062 -2.933 1.00 1.00 O ATOM 1516 CB ASN A 95 116.200 1.724 -1.492 1.00 1.00 C ATOM 1517 CG ASN A 95 117.298 2.094 -0.498 1.00 1.00 C ATOM 1518 OD1 ASN A 95 118.385 1.518 -0.534 1.00 1.00 O ATOM 1519 ND2 ASN A 95 117.079 3.020 0.395 1.00 1.00 N ATOM 0 H ASN A 95 115.018 0.907 0.516 1.00 1.00 H new ATOM 0 HA ASN A 95 114.966 3.362 -0.823 1.00 1.00 H new ATOM 0 HB2 ASN A 95 116.128 0.640 -1.576 1.00 1.00 H new ATOM 0 HB3 ASN A 95 116.454 2.104 -2.482 1.00 1.00 H new ATOM 0 HD21 ASN A 95 117.809 3.267 1.063 1.00 1.00 H new ATOM 0 HD22 ASN A 95 116.178 3.497 0.424 1.00 1.00 H new ATOM 1526 N GLN A 96 113.245 0.940 -2.285 1.00 1.00 N ATOM 1527 CA GLN A 96 112.261 0.689 -3.327 1.00 1.00 C ATOM 1528 C GLN A 96 111.037 1.565 -3.114 1.00 1.00 C ATOM 1529 O GLN A 96 110.466 2.098 -4.065 1.00 1.00 O ATOM 1530 CB GLN A 96 111.831 -0.784 -3.309 1.00 1.00 C ATOM 1531 CG GLN A 96 112.961 -1.678 -3.832 1.00 1.00 C ATOM 1532 CD GLN A 96 113.215 -1.398 -5.308 1.00 1.00 C ATOM 1533 OE1 GLN A 96 112.274 -1.185 -6.072 1.00 1.00 O ATOM 1534 NE2 GLN A 96 114.440 -1.390 -5.757 1.00 1.00 N ATOM 0 H GLN A 96 113.427 0.146 -1.671 1.00 1.00 H new ATOM 0 HA GLN A 96 112.715 0.923 -4.290 1.00 1.00 H new ATOM 0 HB2 GLN A 96 111.565 -1.079 -2.294 1.00 1.00 H new ATOM 0 HB3 GLN A 96 110.940 -0.917 -3.923 1.00 1.00 H new ATOM 0 HG2 GLN A 96 113.871 -1.499 -3.259 1.00 1.00 H new ATOM 0 HG3 GLN A 96 112.698 -2.727 -3.694 1.00 1.00 H new ATOM 0 HE21 GLN A 96 115.217 -1.567 -5.121 1.00 1.00 H new ATOM 0 HE22 GLN A 96 114.620 -1.207 -6.744 1.00 1.00 H new ATOM 1543 N GLU A 97 110.635 1.711 -1.856 1.00 1.00 N ATOM 1544 CA GLU A 97 109.474 2.525 -1.542 1.00 1.00 C ATOM 1545 C GLU A 97 109.721 3.983 -1.898 1.00 1.00 C ATOM 1546 O GLU A 97 108.855 4.659 -2.450 1.00 1.00 O ATOM 1547 CB GLU A 97 109.133 2.413 -0.056 1.00 1.00 C ATOM 1548 CG GLU A 97 108.585 1.017 0.238 1.00 1.00 C ATOM 1549 CD GLU A 97 108.314 0.868 1.730 1.00 1.00 C ATOM 1550 OE1 GLU A 97 108.583 1.808 2.459 1.00 1.00 O ATOM 1551 OE2 GLU A 97 107.839 -0.185 2.123 1.00 1.00 O ATOM 0 H GLU A 97 111.090 1.282 -1.050 1.00 1.00 H new ATOM 0 HA GLU A 97 108.636 2.157 -2.134 1.00 1.00 H new ATOM 0 HB2 GLU A 97 110.021 2.601 0.547 1.00 1.00 H new ATOM 0 HB3 GLU A 97 108.397 3.169 0.217 1.00 1.00 H new ATOM 0 HG2 GLU A 97 107.667 0.852 -0.325 1.00 1.00 H new ATOM 0 HG3 GLU A 97 109.299 0.261 -0.088 1.00 1.00 H new ATOM 1558 N LEU A 98 110.913 4.460 -1.573 1.00 1.00 N ATOM 1559 CA LEU A 98 111.294 5.834 -1.846 1.00 1.00 C ATOM 1560 C LEU A 98 111.356 6.079 -3.349 1.00 1.00 C ATOM 1561 O LEU A 98 110.961 7.137 -3.841 1.00 1.00 O ATOM 1562 CB LEU A 98 112.663 6.082 -1.213 1.00 1.00 C ATOM 1563 CG LEU A 98 112.898 7.571 -0.958 1.00 1.00 C ATOM 1564 CD1 LEU A 98 111.924 8.098 0.102 1.00 1.00 C ATOM 1565 CD2 LEU A 98 114.331 7.740 -0.452 1.00 1.00 C ATOM 0 H LEU A 98 111.638 3.908 -1.115 1.00 1.00 H new ATOM 0 HA LEU A 98 110.556 6.517 -1.425 1.00 1.00 H new ATOM 0 HB2 LEU A 98 112.736 5.534 -0.273 1.00 1.00 H new ATOM 0 HB3 LEU A 98 113.444 5.696 -1.868 1.00 1.00 H new ATOM 0 HG LEU A 98 112.738 8.131 -1.880 1.00 1.00 H new ATOM 0 HD11 LEU A 98 112.108 9.159 0.269 1.00 1.00 H new ATOM 0 HD12 LEU A 98 110.900 7.957 -0.243 1.00 1.00 H new ATOM 0 HD13 LEU A 98 112.071 7.553 1.034 1.00 1.00 H new ATOM 0 HD21 LEU A 98 114.527 8.795 -0.261 1.00 1.00 H new ATOM 0 HD22 LEU A 98 114.460 7.174 0.471 1.00 1.00 H new ATOM 0 HD23 LEU A 98 115.028 7.371 -1.204 1.00 1.00 H new ATOM 1577 N LYS A 99 111.873 5.088 -4.063 1.00 1.00 N ATOM 1578 CA LYS A 99 112.015 5.180 -5.502 1.00 1.00 C ATOM 1579 C LYS A 99 110.657 5.407 -6.126 1.00 1.00 C ATOM 1580 O LYS A 99 110.526 6.149 -7.101 1.00 1.00 O ATOM 1581 CB LYS A 99 112.614 3.873 -6.035 1.00 1.00 C ATOM 1582 CG LYS A 99 112.904 4.009 -7.529 1.00 1.00 C ATOM 1583 CD LYS A 99 113.608 2.750 -8.033 1.00 1.00 C ATOM 1584 CE LYS A 99 113.970 2.933 -9.506 1.00 1.00 C ATOM 1585 NZ LYS A 99 112.726 2.976 -10.323 1.00 1.00 N ATOM 0 H LYS A 99 112.201 4.209 -3.663 1.00 1.00 H new ATOM 0 HA LYS A 99 112.673 6.012 -5.755 1.00 1.00 H new ATOM 0 HB2 LYS A 99 113.532 3.637 -5.497 1.00 1.00 H new ATOM 0 HB3 LYS A 99 111.922 3.048 -5.863 1.00 1.00 H new ATOM 0 HG2 LYS A 99 111.974 4.162 -8.077 1.00 1.00 H new ATOM 0 HG3 LYS A 99 113.528 4.884 -7.710 1.00 1.00 H new ATOM 0 HD2 LYS A 99 114.507 2.562 -7.446 1.00 1.00 H new ATOM 0 HD3 LYS A 99 112.960 1.882 -7.910 1.00 1.00 H new ATOM 0 HE2 LYS A 99 114.537 3.854 -9.640 1.00 1.00 H new ATOM 0 HE3 LYS A 99 114.608 2.114 -9.839 1.00 1.00 H new ATOM 0 HZ1 LYS A 99 112.933 2.646 -11.287 1.00 1.00 H new ATOM 0 HZ2 LYS A 99 112.007 2.360 -9.893 1.00 1.00 H new ATOM 0 HZ3 LYS A 99 112.369 3.952 -10.360 1.00 1.00 H new ATOM 1599 N ALA A 100 109.651 4.768 -5.566 1.00 1.00 N ATOM 1600 CA ALA A 100 108.307 4.911 -6.077 1.00 1.00 C ATOM 1601 C ALA A 100 107.641 6.169 -5.536 1.00 1.00 C ATOM 1602 O ALA A 100 106.836 6.800 -6.219 1.00 1.00 O ATOM 1603 CB ALA A 100 107.481 3.706 -5.675 1.00 1.00 C ATOM 0 H ALA A 100 109.739 4.148 -4.761 1.00 1.00 H new ATOM 0 HA ALA A 100 108.365 4.987 -7.163 1.00 1.00 H new ATOM 0 HB1 ALA A 100 106.467 3.815 -6.061 1.00 1.00 H new ATOM 0 HB2 ALA A 100 107.931 2.803 -6.087 1.00 1.00 H new ATOM 0 HB3 ALA A 100 107.450 3.633 -4.588 1.00 1.00 H new ATOM 1609 N GLN A 101 107.948 6.506 -4.288 1.00 1.00 N ATOM 1610 CA GLN A 101 107.340 7.652 -3.648 1.00 1.00 C ATOM 1611 C GLN A 101 107.572 8.935 -4.422 1.00 1.00 C ATOM 1612 O GLN A 101 106.635 9.697 -4.661 1.00 1.00 O ATOM 1613 CB GLN A 101 107.899 7.789 -2.235 1.00 1.00 C ATOM 1614 CG GLN A 101 107.129 8.871 -1.494 1.00 1.00 C ATOM 1615 CD GLN A 101 107.619 8.970 -0.055 1.00 1.00 C ATOM 1616 OE1 GLN A 101 108.212 8.027 0.466 1.00 1.00 O ATOM 1617 NE2 GLN A 101 107.414 10.069 0.621 1.00 1.00 N ATOM 0 H GLN A 101 108.614 5.999 -3.706 1.00 1.00 H new ATOM 0 HA GLN A 101 106.263 7.487 -3.617 1.00 1.00 H new ATOM 0 HB2 GLN A 101 107.817 6.840 -1.705 1.00 1.00 H new ATOM 0 HB3 GLN A 101 108.959 8.042 -2.273 1.00 1.00 H new ATOM 0 HG2 GLN A 101 107.258 9.829 -1.997 1.00 1.00 H new ATOM 0 HG3 GLN A 101 106.063 8.644 -1.509 1.00 1.00 H new ATOM 0 HE21 GLN A 101 106.922 10.850 0.187 1.00 1.00 H new ATOM 0 HE22 GLN A 101 107.746 10.146 1.582 1.00 1.00 H new ATOM 1626 N TYR A 102 108.819 9.187 -4.793 1.00 1.00 N ATOM 1627 CA TYR A 102 109.133 10.403 -5.516 1.00 1.00 C ATOM 1628 C TYR A 102 109.119 10.177 -7.014 1.00 1.00 C ATOM 1629 O TYR A 102 109.552 11.028 -7.790 1.00 1.00 O ATOM 1630 CB TYR A 102 110.497 10.976 -5.086 1.00 1.00 C ATOM 1631 CG TYR A 102 110.376 11.685 -3.744 1.00 1.00 C ATOM 1632 CD1 TYR A 102 109.458 12.739 -3.568 1.00 1.00 C ATOM 1633 CD2 TYR A 102 111.171 11.274 -2.659 1.00 1.00 C ATOM 1634 CE1 TYR A 102 109.335 13.360 -2.321 1.00 1.00 C ATOM 1635 CE2 TYR A 102 111.046 11.903 -1.418 1.00 1.00 C ATOM 1636 CZ TYR A 102 110.125 12.941 -1.247 1.00 1.00 C ATOM 1637 OH TYR A 102 109.999 13.555 -0.019 1.00 1.00 O ATOM 0 H TYR A 102 109.614 8.576 -4.608 1.00 1.00 H new ATOM 0 HA TYR A 102 108.358 11.128 -5.268 1.00 1.00 H new ATOM 0 HB2 TYR A 102 111.230 10.172 -5.015 1.00 1.00 H new ATOM 0 HB3 TYR A 102 110.860 11.673 -5.841 1.00 1.00 H new ATOM 0 HD1 TYR A 102 108.849 13.068 -4.397 1.00 1.00 H new ATOM 0 HD2 TYR A 102 111.880 10.470 -2.786 1.00 1.00 H new ATOM 0 HE1 TYR A 102 108.628 14.165 -2.188 1.00 1.00 H new ATOM 0 HE2 TYR A 102 111.662 11.587 -0.589 1.00 1.00 H new ATOM 0 HH TYR A 102 109.221 14.151 -0.030 1.00 1.00 H new ATOM 1647 N LYS A 103 108.578 9.026 -7.417 1.00 1.00 N ATOM 1648 CA LYS A 103 108.456 8.683 -8.823 1.00 1.00 C ATOM 1649 C LYS A 103 109.795 8.789 -9.526 1.00 1.00 C ATOM 1650 O LYS A 103 109.920 9.473 -10.541 1.00 1.00 O ATOM 1651 CB LYS A 103 107.448 9.616 -9.497 1.00 1.00 C ATOM 1652 CG LYS A 103 106.046 9.333 -8.953 1.00 1.00 C ATOM 1653 CD LYS A 103 105.037 10.261 -9.634 1.00 1.00 C ATOM 1654 CE LYS A 103 103.623 9.921 -9.158 1.00 1.00 C ATOM 1655 NZ LYS A 103 103.410 10.475 -7.790 1.00 1.00 N ATOM 0 H LYS A 103 108.217 8.316 -6.780 1.00 1.00 H new ATOM 0 HA LYS A 103 108.109 7.652 -8.895 1.00 1.00 H new ATOM 0 HB2 LYS A 103 107.718 10.656 -9.312 1.00 1.00 H new ATOM 0 HB3 LYS A 103 107.467 9.470 -10.577 1.00 1.00 H new ATOM 0 HG2 LYS A 103 105.778 8.292 -9.133 1.00 1.00 H new ATOM 0 HG3 LYS A 103 106.026 9.485 -7.874 1.00 1.00 H new ATOM 0 HD2 LYS A 103 105.269 11.300 -9.402 1.00 1.00 H new ATOM 0 HD3 LYS A 103 105.103 10.154 -10.717 1.00 1.00 H new ATOM 0 HE2 LYS A 103 102.887 10.334 -9.848 1.00 1.00 H new ATOM 0 HE3 LYS A 103 103.481 8.840 -9.150 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 102.428 10.303 -7.495 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 104.059 10.011 -7.123 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 103.595 11.498 -7.797 1.00 1.00 H new ATOM 1669 N VAL A 104 110.801 8.123 -8.980 1.00 1.00 N ATOM 1670 CA VAL A 104 112.127 8.172 -9.562 1.00 1.00 C ATOM 1671 C VAL A 104 112.292 7.044 -10.573 1.00 1.00 C ATOM 1672 O VAL A 104 112.097 5.874 -10.241 1.00 1.00 O ATOM 1673 CB VAL A 104 113.179 8.058 -8.463 1.00 1.00 C ATOM 1674 CG1 VAL A 104 114.568 8.155 -9.082 1.00 1.00 C ATOM 1675 CG2 VAL A 104 112.994 9.198 -7.460 1.00 1.00 C ATOM 0 H VAL A 104 110.723 7.547 -8.142 1.00 1.00 H new ATOM 0 HA VAL A 104 112.259 9.124 -10.076 1.00 1.00 H new ATOM 0 HB VAL A 104 113.070 7.101 -7.953 1.00 1.00 H new ATOM 0 HG11 VAL A 104 115.322 8.074 -8.299 1.00 1.00 H new ATOM 0 HG12 VAL A 104 114.703 7.347 -9.801 1.00 1.00 H new ATOM 0 HG13 VAL A 104 114.674 9.114 -9.590 1.00 1.00 H new ATOM 0 HG21 VAL A 104 113.745 9.117 -6.675 1.00 1.00 H new ATOM 0 HG22 VAL A 104 113.105 10.154 -7.971 1.00 1.00 H new ATOM 0 HG23 VAL A 104 111.999 9.136 -7.018 1.00 1.00 H new ATOM 1685 N THR A 105 112.639 7.401 -11.809 1.00 1.00 N ATOM 1686 CA THR A 105 112.813 6.421 -12.867 1.00 1.00 C ATOM 1687 C THR A 105 114.218 6.470 -13.451 1.00 1.00 C ATOM 1688 O THR A 105 114.871 5.440 -13.625 1.00 1.00 O ATOM 1689 CB THR A 105 111.800 6.684 -13.976 1.00 1.00 C ATOM 1690 OG1 THR A 105 111.681 8.084 -14.183 1.00 1.00 O ATOM 1691 CG2 THR A 105 110.440 6.106 -13.586 1.00 1.00 C ATOM 0 H THR A 105 112.804 8.365 -12.097 1.00 1.00 H new ATOM 0 HA THR A 105 112.657 5.432 -12.437 1.00 1.00 H new ATOM 0 HB THR A 105 112.140 6.206 -14.895 1.00 1.00 H new ATOM 0 HG1 THR A 105 111.032 8.255 -14.897 1.00 1.00 H new ATOM 0 HG21 THR A 105 109.721 6.298 -14.383 1.00 1.00 H new ATOM 0 HG22 THR A 105 110.532 5.031 -13.431 1.00 1.00 H new ATOM 0 HG23 THR A 105 110.095 6.577 -12.665 1.00 1.00 H new ATOM 1699 N GLY A 106 114.663 7.678 -13.781 1.00 1.00 N ATOM 1700 CA GLY A 106 115.975 7.866 -14.381 1.00 1.00 C ATOM 1701 C GLY A 106 117.017 8.305 -13.362 1.00 1.00 C ATOM 1702 O GLY A 106 116.712 9.004 -12.396 1.00 1.00 O ATOM 0 H GLY A 106 114.134 8.539 -13.643 1.00 1.00 H new ATOM 0 HA2 GLY A 106 116.296 6.935 -14.848 1.00 1.00 H new ATOM 0 HA3 GLY A 106 115.907 8.612 -15.173 1.00 1.00 H new ATOM 1706 N PHE A 107 118.249 7.879 -13.600 1.00 1.00 N ATOM 1707 CA PHE A 107 119.378 8.207 -12.733 1.00 1.00 C ATOM 1708 C PHE A 107 120.530 8.778 -13.586 1.00 1.00 C ATOM 1709 O PHE A 107 120.678 8.399 -14.747 1.00 1.00 O ATOM 1710 CB PHE A 107 119.844 6.936 -12.019 1.00 1.00 C ATOM 1711 CG PHE A 107 119.130 5.739 -12.613 1.00 1.00 C ATOM 1712 CD1 PHE A 107 119.249 5.463 -13.981 1.00 1.00 C ATOM 1713 CD2 PHE A 107 118.344 4.913 -11.799 1.00 1.00 C ATOM 1714 CE1 PHE A 107 118.583 4.364 -14.536 1.00 1.00 C ATOM 1715 CE2 PHE A 107 117.679 3.812 -12.355 1.00 1.00 C ATOM 1716 CZ PHE A 107 117.799 3.538 -13.723 1.00 1.00 C ATOM 0 H PHE A 107 118.497 7.296 -14.399 1.00 1.00 H new ATOM 0 HA PHE A 107 119.076 8.950 -11.995 1.00 1.00 H new ATOM 0 HB2 PHE A 107 120.923 6.820 -12.125 1.00 1.00 H new ATOM 0 HB3 PHE A 107 119.634 7.007 -10.952 1.00 1.00 H new ATOM 0 HD1 PHE A 107 119.856 6.099 -14.609 1.00 1.00 H new ATOM 0 HD2 PHE A 107 118.251 5.125 -10.744 1.00 1.00 H new ATOM 0 HE1 PHE A 107 118.674 4.154 -15.591 1.00 1.00 H new ATOM 0 HE2 PHE A 107 117.073 3.174 -11.728 1.00 1.00 H new ATOM 0 HZ PHE A 107 117.286 2.689 -14.151 1.00 1.00 H new ATOM 1726 N PRO A 108 121.342 9.672 -13.058 1.00 1.00 N ATOM 1727 CA PRO A 108 121.231 10.189 -11.664 1.00 1.00 C ATOM 1728 C PRO A 108 120.138 11.228 -11.521 1.00 1.00 C ATOM 1729 O PRO A 108 119.936 12.055 -12.411 1.00 1.00 O ATOM 1730 CB PRO A 108 122.589 10.831 -11.415 1.00 1.00 C ATOM 1731 CG PRO A 108 123.015 11.321 -12.757 1.00 1.00 C ATOM 1732 CD PRO A 108 122.468 10.308 -13.768 1.00 1.00 C ATOM 0 HA PRO A 108 120.976 9.397 -10.959 1.00 1.00 H new ATOM 0 HB2 PRO A 108 122.517 11.648 -10.697 1.00 1.00 H new ATOM 0 HB3 PRO A 108 123.301 10.112 -11.009 1.00 1.00 H new ATOM 0 HG2 PRO A 108 122.621 12.318 -12.952 1.00 1.00 H new ATOM 0 HG3 PRO A 108 124.101 11.389 -12.821 1.00 1.00 H new ATOM 0 HD2 PRO A 108 122.138 10.797 -14.685 1.00 1.00 H new ATOM 0 HD3 PRO A 108 123.226 9.577 -14.052 1.00 1.00 H new ATOM 1740 N GLU A 109 119.446 11.192 -10.398 1.00 1.00 N ATOM 1741 CA GLU A 109 118.387 12.147 -10.144 1.00 1.00 C ATOM 1742 C GLU A 109 118.486 12.633 -8.708 1.00 1.00 C ATOM 1743 O GLU A 109 118.502 11.830 -7.774 1.00 1.00 O ATOM 1744 CB GLU A 109 117.032 11.482 -10.397 1.00 1.00 C ATOM 1745 CG GLU A 109 115.908 12.509 -10.259 1.00 1.00 C ATOM 1746 CD GLU A 109 114.573 11.857 -10.604 1.00 1.00 C ATOM 1747 OE1 GLU A 109 114.593 10.761 -11.141 1.00 1.00 O ATOM 1748 OE2 GLU A 109 113.551 12.465 -10.334 1.00 1.00 O ATOM 0 H GLU A 109 119.598 10.515 -9.651 1.00 1.00 H new ATOM 0 HA GLU A 109 118.485 13.002 -10.812 1.00 1.00 H new ATOM 0 HB2 GLU A 109 117.014 11.044 -11.395 1.00 1.00 H new ATOM 0 HB3 GLU A 109 116.880 10.668 -9.689 1.00 1.00 H new ATOM 0 HG2 GLU A 109 115.881 12.899 -9.242 1.00 1.00 H new ATOM 0 HG3 GLU A 109 116.092 13.356 -10.920 1.00 1.00 H new ATOM 1755 N LEU A 110 118.552 13.946 -8.526 1.00 1.00 N ATOM 1756 CA LEU A 110 118.643 14.535 -7.200 1.00 1.00 C ATOM 1757 C LEU A 110 117.357 15.302 -6.937 1.00 1.00 C ATOM 1758 O LEU A 110 116.992 16.202 -7.693 1.00 1.00 O ATOM 1759 CB LEU A 110 119.858 15.477 -7.151 1.00 1.00 C ATOM 1760 CG LEU A 110 120.649 15.320 -5.843 1.00 1.00 C ATOM 1761 CD1 LEU A 110 122.001 16.021 -5.989 1.00 1.00 C ATOM 1762 CD2 LEU A 110 119.898 15.970 -4.685 1.00 1.00 C ATOM 0 H LEU A 110 118.544 14.625 -9.287 1.00 1.00 H new ATOM 0 HA LEU A 110 118.771 13.767 -6.437 1.00 1.00 H new ATOM 0 HB2 LEU A 110 120.512 15.271 -7.998 1.00 1.00 H new ATOM 0 HB3 LEU A 110 119.522 16.509 -7.251 1.00 1.00 H new ATOM 0 HG LEU A 110 120.782 14.257 -5.641 1.00 1.00 H new ATOM 0 HD11 LEU A 110 122.568 15.914 -5.064 1.00 1.00 H new ATOM 0 HD12 LEU A 110 122.558 15.570 -6.811 1.00 1.00 H new ATOM 0 HD13 LEU A 110 121.842 17.079 -6.196 1.00 1.00 H new ATOM 0 HD21 LEU A 110 120.472 15.850 -3.766 1.00 1.00 H new ATOM 0 HD22 LEU A 110 119.760 17.032 -4.891 1.00 1.00 H new ATOM 0 HD23 LEU A 110 118.924 15.494 -4.570 1.00 1.00 H new ATOM 1774 N VAL A 111 116.667 14.915 -5.874 1.00 1.00 N ATOM 1775 CA VAL A 111 115.398 15.541 -5.520 1.00 1.00 C ATOM 1776 C VAL A 111 115.489 16.252 -4.182 1.00 1.00 C ATOM 1777 O VAL A 111 115.946 15.673 -3.200 1.00 1.00 O ATOM 1778 CB VAL A 111 114.295 14.483 -5.469 1.00 1.00 C ATOM 1779 CG1 VAL A 111 113.875 14.125 -6.893 1.00 1.00 C ATOM 1780 CG2 VAL A 111 114.825 13.244 -4.777 1.00 1.00 C ATOM 0 H VAL A 111 116.963 14.172 -5.241 1.00 1.00 H new ATOM 0 HA VAL A 111 115.161 16.282 -6.283 1.00 1.00 H new ATOM 0 HB VAL A 111 113.437 14.871 -4.920 1.00 1.00 H new ATOM 0 HG11 VAL A 111 113.089 13.371 -6.862 1.00 1.00 H new ATOM 0 HG12 VAL A 111 113.503 15.017 -7.398 1.00 1.00 H new ATOM 0 HG13 VAL A 111 114.733 13.732 -7.438 1.00 1.00 H new ATOM 0 HG21 VAL A 111 114.042 12.486 -4.738 1.00 1.00 H new ATOM 0 HG22 VAL A 111 115.679 12.855 -5.331 1.00 1.00 H new ATOM 0 HG23 VAL A 111 115.135 13.498 -3.763 1.00 1.00 H new ATOM 1790 N PHE A 112 115.055 17.501 -4.144 1.00 1.00 N ATOM 1791 CA PHE A 112 115.104 18.277 -2.915 1.00 1.00 C ATOM 1792 C PHE A 112 113.742 18.299 -2.241 1.00 1.00 C ATOM 1793 O PHE A 112 112.740 18.679 -2.850 1.00 1.00 O ATOM 1794 CB PHE A 112 115.573 19.694 -3.229 1.00 1.00 C ATOM 1795 CG PHE A 112 116.936 19.606 -3.865 1.00 1.00 C ATOM 1796 CD1 PHE A 112 118.075 19.454 -3.064 1.00 1.00 C ATOM 1797 CD2 PHE A 112 117.061 19.656 -5.257 1.00 1.00 C ATOM 1798 CE1 PHE A 112 119.338 19.351 -3.656 1.00 1.00 C ATOM 1799 CE2 PHE A 112 118.326 19.557 -5.850 1.00 1.00 C ATOM 1800 CZ PHE A 112 119.463 19.403 -5.050 1.00 1.00 C ATOM 0 H PHE A 112 114.666 17.998 -4.946 1.00 1.00 H new ATOM 0 HA PHE A 112 115.810 17.812 -2.226 1.00 1.00 H new ATOM 0 HB2 PHE A 112 114.871 20.187 -3.901 1.00 1.00 H new ATOM 0 HB3 PHE A 112 115.616 20.291 -2.318 1.00 1.00 H new ATOM 0 HD1 PHE A 112 117.978 19.416 -1.989 1.00 1.00 H new ATOM 0 HD2 PHE A 112 116.182 19.771 -5.874 1.00 1.00 H new ATOM 0 HE1 PHE A 112 120.216 19.231 -3.039 1.00 1.00 H new ATOM 0 HE2 PHE A 112 118.424 19.600 -6.925 1.00 1.00 H new ATOM 0 HZ PHE A 112 120.438 19.324 -5.508 1.00 1.00 H new ATOM 1810 N ILE A 113 113.727 17.887 -0.975 1.00 1.00 N ATOM 1811 CA ILE A 113 112.498 17.856 -0.195 1.00 1.00 C ATOM 1812 C ILE A 113 112.693 18.514 1.151 1.00 1.00 C ATOM 1813 O ILE A 113 113.806 18.623 1.662 1.00 1.00 O ATOM 1814 CB ILE A 113 112.008 16.419 -0.016 1.00 1.00 C ATOM 1815 CG1 ILE A 113 113.095 15.601 0.676 1.00 1.00 C ATOM 1816 CG2 ILE A 113 111.683 15.809 -1.381 1.00 1.00 C ATOM 1817 CD1 ILE A 113 112.591 14.183 0.941 1.00 1.00 C ATOM 0 H ILE A 113 114.555 17.570 -0.470 1.00 1.00 H new ATOM 0 HA ILE A 113 111.741 18.417 -0.743 1.00 1.00 H new ATOM 0 HB ILE A 113 111.106 16.413 0.595 1.00 1.00 H new ATOM 0 HG12 ILE A 113 113.989 15.568 0.053 1.00 1.00 H new ATOM 0 HG13 ILE A 113 113.378 16.077 1.615 1.00 1.00 H new ATOM 0 HG21 ILE A 113 111.334 14.785 -1.248 1.00 1.00 H new ATOM 0 HG22 ILE A 113 110.904 16.397 -1.866 1.00 1.00 H new ATOM 0 HG23 ILE A 113 112.579 15.810 -2.002 1.00 1.00 H new ATOM 0 HD11 ILE A 113 113.372 13.606 1.435 1.00 1.00 H new ATOM 0 HD12 ILE A 113 111.710 14.224 1.582 1.00 1.00 H new ATOM 0 HD13 ILE A 113 112.331 13.707 -0.004 1.00 1.00 H new ATOM 1829 N ASP A 114 111.574 18.902 1.733 1.00 1.00 N ATOM 1830 CA ASP A 114 111.572 19.500 3.046 1.00 1.00 C ATOM 1831 C ASP A 114 111.342 18.396 4.059 1.00 1.00 C ATOM 1832 O ASP A 114 111.260 17.220 3.704 1.00 1.00 O ATOM 1833 CB ASP A 114 110.464 20.547 3.154 1.00 1.00 C ATOM 1834 CG ASP A 114 110.596 21.309 4.468 1.00 1.00 C ATOM 1835 OD1 ASP A 114 111.634 21.188 5.097 1.00 1.00 O ATOM 1836 OD2 ASP A 114 109.657 22.002 4.825 1.00 1.00 O ATOM 0 H ASP A 114 110.650 18.811 1.310 1.00 1.00 H new ATOM 0 HA ASP A 114 112.524 19.998 3.232 1.00 1.00 H new ATOM 0 HB2 ASP A 114 110.523 21.240 2.314 1.00 1.00 H new ATOM 0 HB3 ASP A 114 109.489 20.064 3.100 1.00 1.00 H new ATOM 1841 N ALA A 115 111.258 18.770 5.315 1.00 1.00 N ATOM 1842 CA ALA A 115 111.063 17.811 6.393 1.00 1.00 C ATOM 1843 C ALA A 115 109.648 17.229 6.389 1.00 1.00 C ATOM 1844 O ALA A 115 109.388 16.231 7.060 1.00 1.00 O ATOM 1845 CB ALA A 115 111.310 18.511 7.722 1.00 1.00 C ATOM 0 H ALA A 115 111.322 19.740 5.623 1.00 1.00 H new ATOM 0 HA ALA A 115 111.763 16.989 6.248 1.00 1.00 H new ATOM 0 HB1 ALA A 115 111.167 17.803 8.538 1.00 1.00 H new ATOM 0 HB2 ALA A 115 112.330 18.893 7.748 1.00 1.00 H new ATOM 0 HB3 ALA A 115 110.610 19.339 7.833 1.00 1.00 H new ATOM 1851 N GLU A 116 108.738 17.830 5.628 1.00 1.00 N ATOM 1852 CA GLU A 116 107.366 17.335 5.547 1.00 1.00 C ATOM 1853 C GLU A 116 107.244 16.454 4.304 1.00 1.00 C ATOM 1854 O GLU A 116 106.188 15.889 4.027 1.00 1.00 O ATOM 1855 CB GLU A 116 106.395 18.524 5.463 1.00 1.00 C ATOM 1856 CG GLU A 116 104.964 18.078 5.779 1.00 1.00 C ATOM 1857 CD GLU A 116 104.841 17.722 7.256 1.00 1.00 C ATOM 1858 OE1 GLU A 116 105.797 17.946 7.981 1.00 1.00 O ATOM 1859 OE2 GLU A 116 103.791 17.234 7.640 1.00 1.00 O ATOM 0 H GLU A 116 108.924 18.657 5.061 1.00 1.00 H new ATOM 0 HA GLU A 116 107.118 16.751 6.433 1.00 1.00 H new ATOM 0 HB2 GLU A 116 106.702 19.301 6.163 1.00 1.00 H new ATOM 0 HB3 GLU A 116 106.433 18.961 4.465 1.00 1.00 H new ATOM 0 HG2 GLU A 116 104.263 18.874 5.529 1.00 1.00 H new ATOM 0 HG3 GLU A 116 104.699 17.216 5.166 1.00 1.00 H new ATOM 1866 N GLY A 117 108.340 16.318 3.575 1.00 1.00 N ATOM 1867 CA GLY A 117 108.339 15.479 2.390 1.00 1.00 C ATOM 1868 C GLY A 117 107.847 16.238 1.172 1.00 1.00 C ATOM 1869 O GLY A 117 107.564 15.634 0.138 1.00 1.00 O ATOM 0 H GLY A 117 109.230 16.772 3.780 1.00 1.00 H new ATOM 0 HA2 GLY A 117 109.347 15.107 2.206 1.00 1.00 H new ATOM 0 HA3 GLY A 117 107.704 14.609 2.559 1.00 1.00 H new ATOM 1873 N LYS A 118 107.760 17.558 1.276 1.00 1.00 N ATOM 1874 CA LYS A 118 107.317 18.359 0.149 1.00 1.00 C ATOM 1875 C LYS A 118 108.489 18.594 -0.787 1.00 1.00 C ATOM 1876 O LYS A 118 109.595 18.843 -0.335 1.00 1.00 O ATOM 1877 CB LYS A 118 106.748 19.692 0.631 1.00 1.00 C ATOM 1878 CG LYS A 118 105.277 19.502 1.002 1.00 1.00 C ATOM 1879 CD LYS A 118 104.723 20.807 1.577 1.00 1.00 C ATOM 1880 CE LYS A 118 103.267 20.601 1.998 1.00 1.00 C ATOM 1881 NZ LYS A 118 102.732 21.865 2.583 1.00 1.00 N ATOM 0 H LYS A 118 107.987 18.088 2.117 1.00 1.00 H new ATOM 0 HA LYS A 118 106.529 17.827 -0.383 1.00 1.00 H new ATOM 0 HB2 LYS A 118 107.310 20.051 1.493 1.00 1.00 H new ATOM 0 HB3 LYS A 118 106.845 20.447 -0.150 1.00 1.00 H new ATOM 0 HG2 LYS A 118 104.704 19.208 0.123 1.00 1.00 H new ATOM 0 HG3 LYS A 118 105.176 18.699 1.732 1.00 1.00 H new ATOM 0 HD2 LYS A 118 105.319 21.122 2.433 1.00 1.00 H new ATOM 0 HD3 LYS A 118 104.789 21.601 0.834 1.00 1.00 H new ATOM 0 HE2 LYS A 118 102.667 20.304 1.137 1.00 1.00 H new ATOM 0 HE3 LYS A 118 103.199 19.794 2.727 1.00 1.00 H new ATOM 0 HZ1 LYS A 118 101.742 21.724 2.869 1.00 1.00 H new ATOM 0 HZ2 LYS A 118 103.298 22.130 3.414 1.00 1.00 H new ATOM 0 HZ3 LYS A 118 102.783 22.624 1.874 1.00 1.00 H new ATOM 1895 N GLN A 119 108.243 18.486 -2.085 1.00 1.00 N ATOM 1896 CA GLN A 119 109.295 18.661 -3.074 1.00 1.00 C ATOM 1897 C GLN A 119 109.532 20.137 -3.390 1.00 1.00 C ATOM 1898 O GLN A 119 108.612 20.844 -3.804 1.00 1.00 O ATOM 1899 CB GLN A 119 108.890 17.888 -4.336 1.00 1.00 C ATOM 1900 CG GLN A 119 109.455 18.563 -5.580 1.00 1.00 C ATOM 1901 CD GLN A 119 109.338 17.621 -6.772 1.00 1.00 C ATOM 1902 OE1 GLN A 119 108.248 17.143 -7.081 1.00 1.00 O ATOM 1903 NE2 GLN A 119 110.401 17.331 -7.470 1.00 1.00 N ATOM 0 H GLN A 119 107.324 18.278 -2.477 1.00 1.00 H new ATOM 0 HA GLN A 119 110.235 18.275 -2.679 1.00 1.00 H new ATOM 0 HB2 GLN A 119 109.255 16.863 -4.274 1.00 1.00 H new ATOM 0 HB3 GLN A 119 107.803 17.836 -4.405 1.00 1.00 H new ATOM 0 HG2 GLN A 119 108.915 19.488 -5.781 1.00 1.00 H new ATOM 0 HG3 GLN A 119 110.499 18.832 -5.418 1.00 1.00 H new ATOM 0 HE21 GLN A 119 111.304 17.728 -7.212 1.00 1.00 H new ATOM 0 HE22 GLN A 119 110.329 16.707 -8.274 1.00 1.00 H new ATOM 1912 N LEU A 120 110.775 20.600 -3.214 1.00 1.00 N ATOM 1913 CA LEU A 120 111.094 21.997 -3.515 1.00 1.00 C ATOM 1914 C LEU A 120 111.714 22.125 -4.903 1.00 1.00 C ATOM 1915 O LEU A 120 111.574 23.164 -5.550 1.00 1.00 O ATOM 1916 CB LEU A 120 112.092 22.607 -2.508 1.00 1.00 C ATOM 1917 CG LEU A 120 111.635 22.441 -1.047 1.00 1.00 C ATOM 1918 CD1 LEU A 120 110.128 22.654 -0.924 1.00 1.00 C ATOM 1919 CD2 LEU A 120 111.998 21.047 -0.537 1.00 1.00 C ATOM 0 H LEU A 120 111.558 20.042 -2.873 1.00 1.00 H new ATOM 0 HA LEU A 120 110.148 22.535 -3.456 1.00 1.00 H new ATOM 0 HB2 LEU A 120 113.066 22.135 -2.636 1.00 1.00 H new ATOM 0 HB3 LEU A 120 112.221 23.667 -2.726 1.00 1.00 H new ATOM 0 HG LEU A 120 112.146 23.191 -0.444 1.00 1.00 H new ATOM 0 HD11 LEU A 120 109.827 22.532 0.116 1.00 1.00 H new ATOM 0 HD12 LEU A 120 109.874 23.659 -1.260 1.00 1.00 H new ATOM 0 HD13 LEU A 120 109.606 21.923 -1.541 1.00 1.00 H new ATOM 0 HD21 LEU A 120 111.670 20.941 0.497 1.00 1.00 H new ATOM 0 HD22 LEU A 120 111.505 20.295 -1.153 1.00 1.00 H new ATOM 0 HD23 LEU A 120 113.078 20.910 -0.591 1.00 1.00 H new ATOM 1931 N ALA A 121 112.397 21.071 -5.366 1.00 1.00 N ATOM 1932 CA ALA A 121 113.028 21.101 -6.691 1.00 1.00 C ATOM 1933 C ALA A 121 113.667 19.752 -7.038 1.00 1.00 C ATOM 1934 O ALA A 121 113.883 18.916 -6.163 1.00 1.00 O ATOM 1935 CB ALA A 121 114.108 22.184 -6.734 1.00 1.00 C ATOM 0 H ALA A 121 112.526 20.199 -4.852 1.00 1.00 H new ATOM 0 HA ALA A 121 112.248 21.318 -7.421 1.00 1.00 H new ATOM 0 HB1 ALA A 121 114.570 22.198 -7.721 1.00 1.00 H new ATOM 0 HB2 ALA A 121 113.657 23.155 -6.530 1.00 1.00 H new ATOM 0 HB3 ALA A 121 114.867 21.971 -5.981 1.00 1.00 H new ATOM 1941 N ARG A 122 113.987 19.550 -8.317 1.00 1.00 N ATOM 1942 CA ARG A 122 114.620 18.300 -8.747 1.00 1.00 C ATOM 1943 C ARG A 122 115.562 18.549 -9.925 1.00 1.00 C ATOM 1944 O ARG A 122 115.256 19.334 -10.822 1.00 1.00 O ATOM 1945 CB ARG A 122 113.554 17.259 -9.134 1.00 1.00 C ATOM 1946 CG ARG A 122 112.799 17.696 -10.399 1.00 1.00 C ATOM 1947 CD ARG A 122 111.745 16.641 -10.749 1.00 1.00 C ATOM 1948 NE ARG A 122 111.029 17.021 -11.965 1.00 1.00 N ATOM 1949 CZ ARG A 122 110.155 16.198 -12.537 1.00 1.00 C ATOM 1950 NH1 ARG A 122 109.928 15.023 -12.017 1.00 1.00 N ATOM 1951 NH2 ARG A 122 109.526 16.564 -13.621 1.00 1.00 N ATOM 0 H ARG A 122 113.822 20.224 -9.064 1.00 1.00 H new ATOM 0 HA ARG A 122 115.202 17.911 -7.912 1.00 1.00 H new ATOM 0 HB2 ARG A 122 114.028 16.292 -9.304 1.00 1.00 H new ATOM 0 HB3 ARG A 122 112.850 17.129 -8.312 1.00 1.00 H new ATOM 0 HG2 ARG A 122 112.323 18.663 -10.236 1.00 1.00 H new ATOM 0 HG3 ARG A 122 113.496 17.820 -11.228 1.00 1.00 H new ATOM 0 HD2 ARG A 122 112.224 15.672 -10.889 1.00 1.00 H new ATOM 0 HD3 ARG A 122 111.041 16.533 -9.924 1.00 1.00 H new ATOM 0 HE ARG A 122 111.203 17.935 -12.383 1.00 1.00 H new ATOM 0 HH11 ARG A 122 110.421 14.736 -11.172 1.00 1.00 H new ATOM 0 HH12 ARG A 122 109.258 14.392 -12.456 1.00 1.00 H new ATOM 0 HH21 ARG A 122 109.705 17.481 -14.029 1.00 1.00 H new ATOM 0 HH22 ARG A 122 108.856 15.933 -14.060 1.00 1.00 H new ATOM 1965 N MET A 123 116.701 17.851 -9.926 1.00 1.00 N ATOM 1966 CA MET A 123 117.657 17.988 -11.014 1.00 1.00 C ATOM 1967 C MET A 123 118.348 16.664 -11.323 1.00 1.00 C ATOM 1968 O MET A 123 118.408 15.763 -10.485 1.00 1.00 O ATOM 1969 CB MET A 123 118.740 19.005 -10.665 1.00 1.00 C ATOM 1970 CG MET A 123 118.123 20.376 -10.379 1.00 1.00 C ATOM 1971 SD MET A 123 119.417 21.640 -10.467 1.00 1.00 S ATOM 1972 CE MET A 123 120.151 21.362 -8.836 1.00 1.00 C ATOM 0 H MET A 123 116.976 17.196 -9.194 1.00 1.00 H new ATOM 0 HA MET A 123 117.089 18.320 -11.883 1.00 1.00 H new ATOM 0 HB2 MET A 123 119.299 18.664 -9.794 1.00 1.00 H new ATOM 0 HB3 MET A 123 119.450 19.085 -11.488 1.00 1.00 H new ATOM 0 HG2 MET A 123 117.337 20.592 -11.102 1.00 1.00 H new ATOM 0 HG3 MET A 123 117.659 20.381 -9.393 1.00 1.00 H new ATOM 0 HE1 MET A 123 121.185 21.708 -8.838 1.00 1.00 H new ATOM 0 HE2 MET A 123 119.586 21.913 -8.084 1.00 1.00 H new ATOM 0 HE3 MET A 123 120.125 20.298 -8.602 1.00 1.00 H new ATOM 1982 N GLY A 124 118.884 16.575 -12.529 1.00 1.00 N ATOM 1983 CA GLY A 124 119.597 15.379 -12.961 1.00 1.00 C ATOM 1984 C GLY A 124 121.029 15.743 -13.300 1.00 1.00 C ATOM 1985 O GLY A 124 121.584 16.683 -12.730 1.00 1.00 O ATOM 0 H GLY A 124 118.840 17.316 -13.229 1.00 1.00 H new ATOM 0 HA2 GLY A 124 119.578 14.626 -12.173 1.00 1.00 H new ATOM 0 HA3 GLY A 124 119.105 14.943 -13.830 1.00 1.00 H new ATOM 1989 N PHE A 125 121.616 15.043 -14.258 1.00 1.00 N ATOM 1990 CA PHE A 125 122.967 15.370 -14.672 1.00 1.00 C ATOM 1991 C PHE A 125 122.906 16.598 -15.561 1.00 1.00 C ATOM 1992 O PHE A 125 122.065 16.678 -16.455 1.00 1.00 O ATOM 1993 CB PHE A 125 123.599 14.214 -15.447 1.00 1.00 C ATOM 1994 CG PHE A 125 124.860 14.713 -16.113 1.00 1.00 C ATOM 1995 CD1 PHE A 125 125.930 15.160 -15.328 1.00 1.00 C ATOM 1996 CD2 PHE A 125 124.954 14.748 -17.509 1.00 1.00 C ATOM 1997 CE1 PHE A 125 127.094 15.640 -15.939 1.00 1.00 C ATOM 1998 CE2 PHE A 125 126.119 15.228 -18.120 1.00 1.00 C ATOM 1999 CZ PHE A 125 127.188 15.674 -17.334 1.00 1.00 C ATOM 0 H PHE A 125 121.187 14.261 -14.753 1.00 1.00 H new ATOM 0 HA PHE A 125 123.577 15.559 -13.789 1.00 1.00 H new ATOM 0 HB2 PHE A 125 123.828 13.388 -14.774 1.00 1.00 H new ATOM 0 HB3 PHE A 125 122.902 13.833 -16.194 1.00 1.00 H new ATOM 0 HD1 PHE A 125 125.857 15.134 -14.251 1.00 1.00 H new ATOM 0 HD2 PHE A 125 124.128 14.405 -18.115 1.00 1.00 H new ATOM 0 HE1 PHE A 125 127.919 15.984 -15.333 1.00 1.00 H new ATOM 0 HE2 PHE A 125 126.193 15.254 -19.197 1.00 1.00 H new ATOM 0 HZ PHE A 125 128.086 16.045 -17.805 1.00 1.00 H new ATOM 2009 N GLU A 126 123.772 17.567 -15.305 1.00 1.00 N ATOM 2010 CA GLU A 126 123.768 18.794 -16.084 1.00 1.00 C ATOM 2011 C GLU A 126 125.201 19.284 -16.315 1.00 1.00 C ATOM 2012 O GLU A 126 125.879 19.655 -15.358 1.00 1.00 O ATOM 2013 CB GLU A 126 122.987 19.875 -15.332 1.00 1.00 C ATOM 2014 CG GLU A 126 121.483 19.643 -15.505 1.00 1.00 C ATOM 2015 CD GLU A 126 121.052 20.029 -16.914 1.00 1.00 C ATOM 2016 OE1 GLU A 126 121.273 21.168 -17.289 1.00 1.00 O ATOM 2017 OE2 GLU A 126 120.504 19.180 -17.597 1.00 1.00 O ATOM 0 H GLU A 126 124.480 17.528 -14.571 1.00 1.00 H new ATOM 0 HA GLU A 126 123.298 18.594 -17.047 1.00 1.00 H new ATOM 0 HB2 GLU A 126 123.248 19.856 -14.274 1.00 1.00 H new ATOM 0 HB3 GLU A 126 123.258 20.861 -15.709 1.00 1.00 H new ATOM 0 HG2 GLU A 126 121.245 18.596 -15.318 1.00 1.00 H new ATOM 0 HG3 GLU A 126 120.930 20.232 -14.773 1.00 1.00 H new ATOM 2024 N PRO A 127 125.687 19.311 -17.538 1.00 1.00 N ATOM 2025 CA PRO A 127 127.065 19.792 -17.804 1.00 1.00 C ATOM 2026 C PRO A 127 127.286 21.189 -17.236 1.00 1.00 C ATOM 2027 O PRO A 127 126.343 21.965 -17.081 1.00 1.00 O ATOM 2028 CB PRO A 127 127.191 19.812 -19.330 1.00 1.00 C ATOM 2029 CG PRO A 127 126.069 18.988 -19.864 1.00 1.00 C ATOM 2030 CD PRO A 127 125.003 18.889 -18.775 1.00 1.00 C ATOM 0 HA PRO A 127 127.809 19.150 -17.333 1.00 1.00 H new ATOM 0 HB2 PRO A 127 127.136 20.832 -19.709 1.00 1.00 H new ATOM 0 HB3 PRO A 127 128.153 19.406 -19.644 1.00 1.00 H new ATOM 0 HG2 PRO A 127 125.655 19.444 -20.764 1.00 1.00 H new ATOM 0 HG3 PRO A 127 126.423 17.996 -20.143 1.00 1.00 H new ATOM 0 HD2 PRO A 127 124.152 19.533 -18.995 1.00 1.00 H new ATOM 0 HD3 PRO A 127 124.620 17.872 -18.688 1.00 1.00 H new ATOM 2038 N GLY A 128 128.540 21.487 -16.927 1.00 1.00 N ATOM 2039 CA GLY A 128 128.881 22.788 -16.369 1.00 1.00 C ATOM 2040 C GLY A 128 129.735 22.652 -15.124 1.00 1.00 C ATOM 2041 O GLY A 128 130.444 23.595 -14.771 1.00 1.00 O ATOM 0 H GLY A 128 129.330 20.854 -17.051 1.00 1.00 H new ATOM 0 HA2 GLY A 128 129.415 23.376 -17.115 1.00 1.00 H new ATOM 0 HA3 GLY A 128 127.968 23.332 -16.128 1.00 1.00 H new ATOM 2045 N GLY A 129 129.717 21.503 -14.460 1.00 1.00 N ATOM 2046 CA GLY A 129 130.546 21.327 -13.285 1.00 1.00 C ATOM 2047 C GLY A 129 129.812 21.634 -11.978 1.00 1.00 C ATOM 2048 O GLY A 129 128.624 21.949 -11.967 1.00 1.00 O ATOM 0 H GLY A 129 129.147 20.696 -14.712 1.00 1.00 H new ATOM 0 HA2 GLY A 129 130.911 20.300 -13.257 1.00 1.00 H new ATOM 0 HA3 GLY A 129 131.420 21.974 -13.364 1.00 1.00 H new ATOM 2052 N GLY A 130 130.536 21.454 -10.876 1.00 1.00 N ATOM 2053 CA GLY A 130 129.961 21.622 -9.544 1.00 1.00 C ATOM 2054 C GLY A 130 129.503 23.039 -9.219 1.00 1.00 C ATOM 2055 O GLY A 130 128.428 23.218 -8.654 1.00 1.00 O ATOM 0 H GLY A 130 131.522 21.192 -10.879 1.00 1.00 H new ATOM 0 HA2 GLY A 130 129.110 20.948 -9.443 1.00 1.00 H new ATOM 0 HA3 GLY A 130 130.700 21.315 -8.804 1.00 1.00 H new ATOM 2059 N ALA A 131 130.307 24.037 -9.557 1.00 1.00 N ATOM 2060 CA ALA A 131 129.951 25.417 -9.257 1.00 1.00 C ATOM 2061 C ALA A 131 128.650 25.788 -9.936 1.00 1.00 C ATOM 2062 O ALA A 131 127.772 26.392 -9.328 1.00 1.00 O ATOM 2063 CB ALA A 131 131.045 26.354 -9.763 1.00 1.00 C ATOM 0 H ALA A 131 131.201 23.920 -10.034 1.00 1.00 H new ATOM 0 HA ALA A 131 129.840 25.514 -8.177 1.00 1.00 H new ATOM 0 HB1 ALA A 131 130.774 27.385 -9.536 1.00 1.00 H new ATOM 0 HB2 ALA A 131 131.988 26.110 -9.273 1.00 1.00 H new ATOM 0 HB3 ALA A 131 131.155 26.236 -10.841 1.00 1.00 H new ATOM 2069 N ALA A 132 128.539 25.461 -11.201 1.00 1.00 N ATOM 2070 CA ALA A 132 127.347 25.798 -11.940 1.00 1.00 C ATOM 2071 C ALA A 132 126.120 25.084 -11.378 1.00 1.00 C ATOM 2072 O ALA A 132 125.023 25.645 -11.348 1.00 1.00 O ATOM 2073 CB ALA A 132 127.542 25.430 -13.406 1.00 1.00 C ATOM 0 H ALA A 132 129.253 24.966 -11.736 1.00 1.00 H new ATOM 0 HA ALA A 132 127.176 26.870 -11.847 1.00 1.00 H new ATOM 0 HB1 ALA A 132 126.643 25.683 -13.967 1.00 1.00 H new ATOM 0 HB2 ALA A 132 128.390 25.983 -13.810 1.00 1.00 H new ATOM 0 HB3 ALA A 132 127.733 24.360 -13.490 1.00 1.00 H new ATOM 2079 N TYR A 133 126.303 23.843 -10.941 1.00 1.00 N ATOM 2080 CA TYR A 133 125.209 23.050 -10.397 1.00 1.00 C ATOM 2081 C TYR A 133 124.630 23.694 -9.141 1.00 1.00 C ATOM 2082 O TYR A 133 123.414 23.724 -8.957 1.00 1.00 O ATOM 2083 CB TYR A 133 125.724 21.648 -10.069 1.00 1.00 C ATOM 2084 CG TYR A 133 124.568 20.724 -9.762 1.00 1.00 C ATOM 2085 CD1 TYR A 133 123.954 20.009 -10.798 1.00 1.00 C ATOM 2086 CD2 TYR A 133 124.117 20.573 -8.445 1.00 1.00 C ATOM 2087 CE1 TYR A 133 122.892 19.142 -10.518 1.00 1.00 C ATOM 2088 CE2 TYR A 133 123.053 19.705 -8.165 1.00 1.00 C ATOM 2089 CZ TYR A 133 122.441 18.990 -9.202 1.00 1.00 C ATOM 2090 OH TYR A 133 121.394 18.133 -8.927 1.00 1.00 O ATOM 0 H TYR A 133 127.203 23.364 -10.954 1.00 1.00 H new ATOM 0 HA TYR A 133 124.415 22.994 -11.142 1.00 1.00 H new ATOM 0 HB2 TYR A 133 126.297 21.258 -10.910 1.00 1.00 H new ATOM 0 HB3 TYR A 133 126.400 21.692 -9.215 1.00 1.00 H new ATOM 0 HD1 TYR A 133 124.301 20.127 -11.814 1.00 1.00 H new ATOM 0 HD2 TYR A 133 124.589 21.125 -7.646 1.00 1.00 H new ATOM 0 HE1 TYR A 133 122.420 18.590 -11.318 1.00 1.00 H new ATOM 0 HE2 TYR A 133 122.705 19.587 -7.149 1.00 1.00 H new ATOM 0 HH TYR A 133 121.049 18.316 -8.028 1.00 1.00 H new ATOM 2100 N VAL A 134 125.499 24.189 -8.264 1.00 1.00 N ATOM 2101 CA VAL A 134 125.025 24.794 -7.033 1.00 1.00 C ATOM 2102 C VAL A 134 124.235 26.068 -7.315 1.00 1.00 C ATOM 2103 O VAL A 134 123.261 26.354 -6.645 1.00 1.00 O ATOM 2104 CB VAL A 134 126.166 25.084 -6.059 1.00 1.00 C ATOM 2105 CG1 VAL A 134 127.296 24.076 -6.223 1.00 1.00 C ATOM 2106 CG2 VAL A 134 126.697 26.500 -6.254 1.00 1.00 C ATOM 0 H VAL A 134 126.512 24.182 -8.382 1.00 1.00 H new ATOM 0 HA VAL A 134 124.362 24.069 -6.561 1.00 1.00 H new ATOM 0 HB VAL A 134 125.768 24.995 -5.048 1.00 1.00 H new ATOM 0 HG11 VAL A 134 128.094 24.306 -5.518 1.00 1.00 H new ATOM 0 HG12 VAL A 134 126.919 23.072 -6.029 1.00 1.00 H new ATOM 0 HG13 VAL A 134 127.685 24.127 -7.240 1.00 1.00 H new ATOM 0 HG21 VAL A 134 127.509 26.684 -5.550 1.00 1.00 H new ATOM 0 HG22 VAL A 134 127.068 26.612 -7.273 1.00 1.00 H new ATOM 0 HG23 VAL A 134 125.895 27.217 -6.079 1.00 1.00 H new ATOM 2116 N SER A 135 124.642 26.851 -8.291 1.00 1.00 N ATOM 2117 CA SER A 135 123.902 28.067 -8.578 1.00 1.00 C ATOM 2118 C SER A 135 122.457 27.706 -8.920 1.00 1.00 C ATOM 2119 O SER A 135 121.513 28.393 -8.526 1.00 1.00 O ATOM 2120 CB SER A 135 124.537 28.811 -9.757 1.00 1.00 C ATOM 2121 OG SER A 135 125.925 29.001 -9.506 1.00 1.00 O ATOM 0 H SER A 135 125.454 26.679 -8.884 1.00 1.00 H new ATOM 0 HA SER A 135 123.926 28.715 -7.702 1.00 1.00 H new ATOM 0 HB2 SER A 135 124.397 28.243 -10.677 1.00 1.00 H new ATOM 0 HB3 SER A 135 124.047 29.774 -9.899 1.00 1.00 H new ATOM 0 HG SER A 135 126.332 29.475 -10.261 1.00 1.00 H new ATOM 2127 N LYS A 136 122.315 26.630 -9.690 1.00 1.00 N ATOM 2128 CA LYS A 136 121.007 26.157 -10.146 1.00 1.00 C ATOM 2129 C LYS A 136 120.108 25.704 -8.991 1.00 1.00 C ATOM 2130 O LYS A 136 118.920 26.020 -8.965 1.00 1.00 O ATOM 2131 CB LYS A 136 121.221 24.987 -11.107 1.00 1.00 C ATOM 2132 CG LYS A 136 121.923 25.487 -12.373 1.00 1.00 C ATOM 2133 CD LYS A 136 122.245 24.298 -13.279 1.00 1.00 C ATOM 2134 CE LYS A 136 122.977 24.788 -14.531 1.00 1.00 C ATOM 2135 NZ LYS A 136 123.343 23.619 -15.379 1.00 1.00 N ATOM 0 H LYS A 136 123.098 26.063 -10.015 1.00 1.00 H new ATOM 0 HA LYS A 136 120.503 26.989 -10.639 1.00 1.00 H new ATOM 0 HB2 LYS A 136 121.821 24.214 -10.627 1.00 1.00 H new ATOM 0 HB3 LYS A 136 120.263 24.534 -11.364 1.00 1.00 H new ATOM 0 HG2 LYS A 136 121.285 26.197 -12.899 1.00 1.00 H new ATOM 0 HG3 LYS A 136 122.839 26.016 -12.109 1.00 1.00 H new ATOM 0 HD2 LYS A 136 122.863 23.577 -12.744 1.00 1.00 H new ATOM 0 HD3 LYS A 136 121.326 23.784 -13.561 1.00 1.00 H new ATOM 0 HE2 LYS A 136 122.342 25.474 -15.092 1.00 1.00 H new ATOM 0 HE3 LYS A 136 123.873 25.341 -14.249 1.00 1.00 H new ATOM 0 HZ1 LYS A 136 123.840 23.950 -16.230 1.00 1.00 H new ATOM 0 HZ2 LYS A 136 123.964 22.981 -14.841 1.00 1.00 H new ATOM 0 HZ3 LYS A 136 122.481 23.109 -15.658 1.00 1.00 H new ATOM 2149 N VAL A 137 120.675 24.958 -8.046 1.00 1.00 N ATOM 2150 CA VAL A 137 119.886 24.471 -6.918 1.00 1.00 C ATOM 2151 C VAL A 137 119.420 25.637 -6.050 1.00 1.00 C ATOM 2152 O VAL A 137 118.295 25.644 -5.548 1.00 1.00 O ATOM 2153 CB VAL A 137 120.683 23.438 -6.099 1.00 1.00 C ATOM 2154 CG1 VAL A 137 121.650 24.128 -5.167 1.00 1.00 C ATOM 2155 CG2 VAL A 137 119.729 22.593 -5.256 1.00 1.00 C ATOM 0 H VAL A 137 121.657 24.682 -8.037 1.00 1.00 H new ATOM 0 HA VAL A 137 118.999 23.968 -7.304 1.00 1.00 H new ATOM 0 HB VAL A 137 121.233 22.808 -6.798 1.00 1.00 H new ATOM 0 HG11 VAL A 137 122.203 23.381 -4.598 1.00 1.00 H new ATOM 0 HG12 VAL A 137 122.348 24.731 -5.748 1.00 1.00 H new ATOM 0 HG13 VAL A 137 121.098 24.771 -4.481 1.00 1.00 H new ATOM 0 HG21 VAL A 137 120.300 21.865 -4.680 1.00 1.00 H new ATOM 0 HG22 VAL A 137 119.175 23.240 -4.576 1.00 1.00 H new ATOM 0 HG23 VAL A 137 119.031 22.071 -5.910 1.00 1.00 H new ATOM 2165 N LYS A 138 120.301 26.614 -5.873 1.00 1.00 N ATOM 2166 CA LYS A 138 119.984 27.778 -5.054 1.00 1.00 C ATOM 2167 C LYS A 138 118.779 28.530 -5.610 1.00 1.00 C ATOM 2168 O LYS A 138 117.900 28.943 -4.854 1.00 1.00 O ATOM 2169 CB LYS A 138 121.187 28.719 -4.993 1.00 1.00 C ATOM 2170 CG LYS A 138 122.287 28.087 -4.143 1.00 1.00 C ATOM 2171 CD LYS A 138 123.499 29.019 -4.103 1.00 1.00 C ATOM 2172 CE LYS A 138 124.604 28.380 -3.263 1.00 1.00 C ATOM 2173 NZ LYS A 138 125.791 29.280 -3.233 1.00 1.00 N ATOM 0 H LYS A 138 121.235 26.624 -6.283 1.00 1.00 H new ATOM 0 HA LYS A 138 119.741 27.427 -4.051 1.00 1.00 H new ATOM 0 HB2 LYS A 138 121.558 28.917 -5.998 1.00 1.00 H new ATOM 0 HB3 LYS A 138 120.891 29.678 -4.568 1.00 1.00 H new ATOM 0 HG2 LYS A 138 121.921 27.905 -3.132 1.00 1.00 H new ATOM 0 HG3 LYS A 138 122.572 27.120 -4.558 1.00 1.00 H new ATOM 0 HD2 LYS A 138 123.859 29.208 -5.114 1.00 1.00 H new ATOM 0 HD3 LYS A 138 123.216 29.983 -3.679 1.00 1.00 H new ATOM 0 HE2 LYS A 138 124.246 28.199 -2.249 1.00 1.00 H new ATOM 0 HE3 LYS A 138 124.879 27.412 -3.681 1.00 1.00 H new ATOM 0 HZ1 LYS A 138 126.543 28.844 -2.661 1.00 1.00 H new ATOM 0 HZ2 LYS A 138 126.137 29.431 -4.202 1.00 1.00 H new ATOM 0 HZ3 LYS A 138 125.523 30.194 -2.815 1.00 1.00 H new ATOM 2187 N SER A 139 118.744 28.720 -6.922 1.00 1.00 N ATOM 2188 CA SER A 139 117.645 29.439 -7.544 1.00 1.00 C ATOM 2189 C SER A 139 116.350 28.659 -7.412 1.00 1.00 C ATOM 2190 O SER A 139 115.287 29.230 -7.179 1.00 1.00 O ATOM 2191 CB SER A 139 117.953 29.689 -9.021 1.00 1.00 C ATOM 2192 OG SER A 139 116.776 30.139 -9.675 1.00 1.00 O ATOM 0 H SER A 139 119.459 28.389 -7.570 1.00 1.00 H new ATOM 0 HA SER A 139 117.527 30.395 -7.034 1.00 1.00 H new ATOM 0 HB2 SER A 139 118.744 30.432 -9.119 1.00 1.00 H new ATOM 0 HB3 SER A 139 118.316 28.774 -9.489 1.00 1.00 H new ATOM 0 HG SER A 139 116.970 30.302 -10.622 1.00 1.00 H new ATOM 2198 N ALA A 140 116.449 27.349 -7.579 1.00 1.00 N ATOM 2199 CA ALA A 140 115.279 26.488 -7.506 1.00 1.00 C ATOM 2200 C ALA A 140 114.673 26.480 -6.109 1.00 1.00 C ATOM 2201 O ALA A 140 113.453 26.415 -5.955 1.00 1.00 O ATOM 2202 CB ALA A 140 115.672 25.066 -7.900 1.00 1.00 C ATOM 0 H ALA A 140 117.325 26.860 -7.765 1.00 1.00 H new ATOM 0 HA ALA A 140 114.529 26.877 -8.194 1.00 1.00 H new ATOM 0 HB1 ALA A 140 114.797 24.418 -7.846 1.00 1.00 H new ATOM 0 HB2 ALA A 140 116.062 25.065 -8.918 1.00 1.00 H new ATOM 0 HB3 ALA A 140 116.438 24.698 -7.218 1.00 1.00 H new ATOM 2208 N LEU A 141 115.524 26.510 -5.099 1.00 1.00 N ATOM 2209 CA LEU A 141 115.051 26.466 -3.725 1.00 1.00 C ATOM 2210 C LEU A 141 114.789 27.851 -3.137 1.00 1.00 C ATOM 2211 O LEU A 141 114.348 27.955 -1.993 1.00 1.00 O ATOM 2212 CB LEU A 141 116.063 25.708 -2.862 1.00 1.00 C ATOM 2213 CG LEU A 141 115.555 24.293 -2.562 1.00 1.00 C ATOM 2214 CD1 LEU A 141 115.195 23.566 -3.860 1.00 1.00 C ATOM 2215 CD2 LEU A 141 116.652 23.511 -1.836 1.00 1.00 C ATOM 0 H LEU A 141 116.537 26.564 -5.201 1.00 1.00 H new ATOM 0 HA LEU A 141 114.093 25.946 -3.729 1.00 1.00 H new ATOM 0 HB2 LEU A 141 117.022 25.655 -3.377 1.00 1.00 H new ATOM 0 HB3 LEU A 141 116.231 26.246 -1.929 1.00 1.00 H new ATOM 0 HG LEU A 141 114.664 24.362 -1.938 1.00 1.00 H new ATOM 0 HD11 LEU A 141 114.836 22.563 -3.628 1.00 1.00 H new ATOM 0 HD12 LEU A 141 114.414 24.119 -4.382 1.00 1.00 H new ATOM 0 HD13 LEU A 141 116.078 23.497 -4.496 1.00 1.00 H new ATOM 0 HD21 LEU A 141 116.298 22.503 -1.619 1.00 1.00 H new ATOM 0 HD22 LEU A 141 117.538 23.456 -2.468 1.00 1.00 H new ATOM 0 HD23 LEU A 141 116.902 24.016 -0.903 1.00 1.00 H new ATOM 2227 N LYS A 142 115.046 28.917 -3.900 1.00 1.00 N ATOM 2228 CA LYS A 142 114.816 30.278 -3.415 1.00 1.00 C ATOM 2229 C LYS A 142 115.694 30.573 -2.202 1.00 1.00 C ATOM 2230 O LYS A 142 115.221 31.094 -1.192 1.00 1.00 O ATOM 2231 CB LYS A 142 113.340 30.464 -3.032 1.00 1.00 C ATOM 2232 CG LYS A 142 112.416 29.915 -4.133 1.00 1.00 C ATOM 2233 CD LYS A 142 112.549 30.739 -5.419 1.00 1.00 C ATOM 2234 CE LYS A 142 111.544 30.231 -6.453 1.00 1.00 C ATOM 2235 NZ LYS A 142 111.593 31.102 -7.662 1.00 1.00 N ATOM 0 H LYS A 142 115.411 28.863 -4.851 1.00 1.00 H new ATOM 0 HA LYS A 142 115.073 30.971 -4.216 1.00 1.00 H new ATOM 0 HB2 LYS A 142 113.136 29.952 -2.092 1.00 1.00 H new ATOM 0 HB3 LYS A 142 113.132 31.522 -2.871 1.00 1.00 H new ATOM 0 HG2 LYS A 142 112.665 28.873 -4.336 1.00 1.00 H new ATOM 0 HG3 LYS A 142 111.382 29.935 -3.789 1.00 1.00 H new ATOM 0 HD2 LYS A 142 112.370 31.793 -5.209 1.00 1.00 H new ATOM 0 HD3 LYS A 142 113.563 30.660 -5.811 1.00 1.00 H new ATOM 0 HE2 LYS A 142 111.774 29.201 -6.724 1.00 1.00 H new ATOM 0 HE3 LYS A 142 110.539 30.233 -6.031 1.00 1.00 H new ATOM 0 HZ1 LYS A 142 110.910 30.757 -8.366 1.00 1.00 H new ATOM 0 HZ2 LYS A 142 111.354 32.079 -7.396 1.00 1.00 H new ATOM 0 HZ3 LYS A 142 112.550 31.079 -8.068 1.00 1.00 H new ATOM 2249 N LEU A 143 116.980 30.263 -2.321 1.00 1.00 N ATOM 2250 CA LEU A 143 117.938 30.519 -1.252 1.00 1.00 C ATOM 2251 C LEU A 143 118.683 31.816 -1.551 1.00 1.00 C ATOM 2252 O LEU A 143 119.322 31.951 -2.595 1.00 1.00 O ATOM 2253 CB LEU A 143 118.957 29.372 -1.184 1.00 1.00 C ATOM 2254 CG LEU A 143 118.511 28.211 -0.265 1.00 1.00 C ATOM 2255 CD1 LEU A 143 116.982 28.098 -0.139 1.00 1.00 C ATOM 2256 CD2 LEU A 143 119.051 26.908 -0.860 1.00 1.00 C ATOM 0 H LEU A 143 117.385 29.832 -3.152 1.00 1.00 H new ATOM 0 HA LEU A 143 117.407 30.596 -0.303 1.00 1.00 H new ATOM 0 HB2 LEU A 143 119.127 28.986 -2.189 1.00 1.00 H new ATOM 0 HB3 LEU A 143 119.910 29.763 -0.828 1.00 1.00 H new ATOM 0 HG LEU A 143 118.902 28.404 0.734 1.00 1.00 H new ATOM 0 HD11 LEU A 143 116.732 27.265 0.518 1.00 1.00 H new ATOM 0 HD12 LEU A 143 116.582 29.022 0.278 1.00 1.00 H new ATOM 0 HD13 LEU A 143 116.547 27.926 -1.124 1.00 1.00 H new ATOM 0 HD21 LEU A 143 118.751 26.069 -0.231 1.00 1.00 H new ATOM 0 HD22 LEU A 143 118.648 26.772 -1.863 1.00 1.00 H new ATOM 0 HD23 LEU A 143 120.139 26.954 -0.909 1.00 1.00 H new