USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=24 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 -113:sc= -1.71! (180deg=-2.08) USER MOD Set 1.2: A 123 MET CE :methyl 152:sc= -2.91 (180deg=-3.93!) USER MOD Set 1.3: A 133 TYR OH : rot 15:sc= -0.799 USER MOD Set 2.1: A 87 GLN : amide:sc= -0.109 K(o=-0.5,f=-2.5) USER MOD Set 2.2: A 91 GLN : amide:sc= -0.386 K(o=-0.5,f=-2.5!) USER MOD Set 3.1: A 33 SER OG : rot -89:sc= 1.26 USER MOD Set 3.2: A 75 HIS : no HE2:sc= -0.205 X(o=1.1,f=0.9) USER MOD Single : A 22 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.52) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.14) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 37 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-2.6!) USER MOD Single : A 38 LYS NZ :NH3+ -136:sc= 1.27 (180deg=0.222) USER MOD Single : A 45 THR OG1 : rot -134:sc= 0.277 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 159:sc= -0.154 (180deg=-1.04) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 62 GLN : amide:sc= -0.277 K(o=-0.28,f=-3.2!) USER MOD Single : A 63 SER OG : rot -93:sc= 0.212 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.0831 K(o=-0.083,f=-0.59) USER MOD Single : A 73 HIS : no HD1:sc= -0.548 X(o=-0.55,f=-0.89) USER MOD Single : A 76 MET CE :methyl -150:sc= -0.0499 (180deg=-0.677) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -2.28! C(o=-2.3!,f=-5.6!) USER MOD Single : A 86 HIS : no HE2:sc= -1.14 K(o=-1.1,f=-3.1!) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 94 LYS NZ :NH3+ -143:sc= -0.866 (180deg=-2.47!) USER MOD Single : A 95 ASN : amide:sc= -2.83! X(o=-2.8!,f=-2.7) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -0.0108 K(o=-0.011,f=-1.5!) USER MOD Single : A 102 TYR OH : rot 150:sc= -1.56 USER MOD Single : A 103 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.202) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.00132 USER MOD Single : A 118 LYS NZ :NH3+ -166:sc= -0.0125 (180deg=-0.281) USER MOD Single : A 119 GLN : amide:sc= -0.0829 K(o=-0.083,f=-2.1!) USER MOD Single : A 135 SER OG : rot 75:sc= 0.135 USER MOD Single : A 136 LYS NZ :NH3+ -162:sc= -0.0827 (180deg=-0.614) 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+ -165:sc= -0.0148 (180deg=-0.409) USER MOD ----------------------------------------------------------------- ATOM 308 N LEU A 21 131.715 15.079 1.892 1.00 1.00 N ATOM 309 CA LEU A 21 130.274 15.041 2.116 1.00 1.00 C ATOM 310 C LEU A 21 129.927 14.014 3.188 1.00 1.00 C ATOM 311 O LEU A 21 130.459 12.904 3.221 1.00 1.00 O ATOM 312 CB LEU A 21 129.541 14.703 0.813 1.00 1.00 C ATOM 313 CG LEU A 21 128.028 14.933 0.983 1.00 1.00 C ATOM 314 CD1 LEU A 21 127.691 16.424 0.814 1.00 1.00 C ATOM 315 CD2 LEU A 21 127.265 14.126 -0.071 1.00 1.00 C ATOM 0 HA LEU A 21 129.954 16.026 2.457 1.00 1.00 H new ATOM 0 HB2 LEU A 21 129.922 15.322 0.001 1.00 1.00 H new ATOM 0 HB3 LEU A 21 129.731 13.665 0.538 1.00 1.00 H new ATOM 0 HG LEU A 21 127.736 14.611 1.983 1.00 1.00 H new ATOM 0 HD11 LEU A 21 126.618 16.571 0.937 1.00 1.00 H new ATOM 0 HD12 LEU A 21 128.225 17.005 1.566 1.00 1.00 H new ATOM 0 HD13 LEU A 21 127.991 16.754 -0.181 1.00 1.00 H new ATOM 0 HD21 LEU A 21 126.194 14.290 0.050 1.00 1.00 H new ATOM 0 HD22 LEU A 21 127.571 14.447 -1.067 1.00 1.00 H new ATOM 0 HD23 LEU A 21 127.486 13.066 0.052 1.00 1.00 H new ATOM 327 N GLN A 22 129.013 14.423 4.056 1.00 1.00 N ATOM 328 CA GLN A 22 128.552 13.573 5.143 1.00 1.00 C ATOM 329 C GLN A 22 127.174 13.008 4.803 1.00 1.00 C ATOM 330 O GLN A 22 126.176 13.730 4.821 1.00 1.00 O ATOM 331 CB GLN A 22 128.483 14.399 6.423 1.00 1.00 C ATOM 332 CG GLN A 22 129.870 14.980 6.707 1.00 1.00 C ATOM 333 CD GLN A 22 130.845 13.870 7.087 1.00 1.00 C ATOM 334 OE1 GLN A 22 130.515 12.998 7.889 1.00 1.00 O ATOM 335 NE2 GLN A 22 132.038 13.854 6.553 1.00 1.00 N ATOM 0 H GLN A 22 128.574 15.343 4.028 1.00 1.00 H new ATOM 0 HA GLN A 22 129.244 12.743 5.286 1.00 1.00 H new ATOM 0 HB2 GLN A 22 127.752 15.201 6.317 1.00 1.00 H new ATOM 0 HB3 GLN A 22 128.156 13.778 7.257 1.00 1.00 H new ATOM 0 HG2 GLN A 22 130.237 15.509 5.827 1.00 1.00 H new ATOM 0 HG3 GLN A 22 129.807 15.709 7.514 1.00 1.00 H new ATOM 0 HE21 GLN A 22 132.309 14.579 5.888 1.00 1.00 H new ATOM 0 HE22 GLN A 22 132.698 13.117 6.801 1.00 1.00 H new ATOM 344 N TRP A 23 127.121 11.710 4.504 1.00 1.00 N ATOM 345 CA TRP A 23 125.846 11.073 4.176 1.00 1.00 C ATOM 346 C TRP A 23 125.056 10.789 5.451 1.00 1.00 C ATOM 347 O TRP A 23 125.604 10.336 6.456 1.00 1.00 O ATOM 348 CB TRP A 23 126.085 9.754 3.435 1.00 1.00 C ATOM 349 CG TRP A 23 127.037 9.953 2.295 1.00 1.00 C ATOM 350 CD1 TRP A 23 127.414 11.149 1.781 1.00 1.00 C ATOM 351 CD2 TRP A 23 127.735 8.938 1.512 1.00 1.00 C ATOM 352 NE1 TRP A 23 128.294 10.927 0.736 1.00 1.00 N ATOM 353 CE2 TRP A 23 128.522 9.586 0.533 1.00 1.00 C ATOM 354 CE3 TRP A 23 127.759 7.532 1.556 1.00 1.00 C ATOM 355 CZ2 TRP A 23 129.304 8.871 -0.370 1.00 1.00 C ATOM 356 CZ3 TRP A 23 128.548 6.806 0.646 1.00 1.00 C ATOM 357 CH2 TRP A 23 129.319 7.475 -0.316 1.00 1.00 C ATOM 0 H TRP A 23 127.930 11.089 4.482 1.00 1.00 H new ATOM 0 HA TRP A 23 125.280 11.751 3.538 1.00 1.00 H new ATOM 0 HB2 TRP A 23 126.486 9.011 4.125 1.00 1.00 H new ATOM 0 HB3 TRP A 23 125.138 9.364 3.061 1.00 1.00 H new ATOM 0 HD1 TRP A 23 127.082 12.116 2.129 1.00 1.00 H new ATOM 0 HE1 TRP A 23 128.722 11.669 0.183 1.00 1.00 H new ATOM 0 HE3 TRP A 23 127.168 7.007 2.293 1.00 1.00 H new ATOM 0 HZ2 TRP A 23 129.896 9.392 -1.108 1.00 1.00 H new ATOM 0 HZ3 TRP A 23 128.560 5.727 0.688 1.00 1.00 H new ATOM 0 HH2 TRP A 23 129.923 6.913 -1.013 1.00 1.00 H new ATOM 368 N GLU A 24 123.749 11.033 5.374 1.00 1.00 N ATOM 369 CA GLU A 24 122.846 10.783 6.492 1.00 1.00 C ATOM 370 C GLU A 24 121.756 9.813 6.038 1.00 1.00 C ATOM 371 O GLU A 24 121.567 9.607 4.839 1.00 1.00 O ATOM 372 CB GLU A 24 122.208 12.094 6.958 1.00 1.00 C ATOM 373 CG GLU A 24 123.288 13.015 7.529 1.00 1.00 C ATOM 374 CD GLU A 24 122.670 14.349 7.932 1.00 1.00 C ATOM 375 OE1 GLU A 24 121.459 14.468 7.850 1.00 1.00 O ATOM 376 OE2 GLU A 24 123.418 15.235 8.311 1.00 1.00 O ATOM 0 H GLU A 24 123.291 11.406 4.542 1.00 1.00 H new ATOM 0 HA GLU A 24 123.405 10.353 7.323 1.00 1.00 H new ATOM 0 HB2 GLU A 24 121.704 12.582 6.124 1.00 1.00 H new ATOM 0 HB3 GLU A 24 121.450 11.893 7.715 1.00 1.00 H new ATOM 0 HG2 GLU A 24 123.759 12.546 8.393 1.00 1.00 H new ATOM 0 HG3 GLU A 24 124.071 13.176 6.788 1.00 1.00 H new ATOM 383 N SER A 25 121.041 9.218 6.989 1.00 1.00 N ATOM 384 CA SER A 25 119.986 8.282 6.639 1.00 1.00 C ATOM 385 C SER A 25 118.708 9.034 6.315 1.00 1.00 C ATOM 386 O SER A 25 118.524 10.178 6.726 1.00 1.00 O ATOM 387 CB SER A 25 119.736 7.292 7.776 1.00 1.00 C ATOM 388 OG SER A 25 120.969 6.706 8.172 1.00 1.00 O ATOM 0 H SER A 25 121.172 9.366 7.990 1.00 1.00 H new ATOM 0 HA SER A 25 120.305 7.722 5.760 1.00 1.00 H new ATOM 0 HB2 SER A 25 119.275 7.802 8.622 1.00 1.00 H new ATOM 0 HB3 SER A 25 119.040 6.518 7.452 1.00 1.00 H new ATOM 0 HG SER A 25 120.810 6.072 8.902 1.00 1.00 H new ATOM 394 N TYR A 26 117.825 8.379 5.585 1.00 1.00 N ATOM 395 CA TYR A 26 116.564 8.982 5.216 1.00 1.00 C ATOM 396 C TYR A 26 115.785 9.358 6.460 1.00 1.00 C ATOM 397 O TYR A 26 115.200 10.438 6.552 1.00 1.00 O ATOM 398 CB TYR A 26 115.752 7.994 4.379 1.00 1.00 C ATOM 399 CG TYR A 26 114.315 8.446 4.308 1.00 1.00 C ATOM 400 CD1 TYR A 26 113.909 9.395 3.362 1.00 1.00 C ATOM 401 CD2 TYR A 26 113.384 7.899 5.194 1.00 1.00 C ATOM 402 CE1 TYR A 26 112.568 9.796 3.308 1.00 1.00 C ATOM 403 CE2 TYR A 26 112.045 8.296 5.139 1.00 1.00 C ATOM 404 CZ TYR A 26 111.636 9.245 4.196 1.00 1.00 C ATOM 405 OH TYR A 26 110.314 9.638 4.143 1.00 1.00 O ATOM 0 H TYR A 26 117.960 7.430 5.237 1.00 1.00 H new ATOM 0 HA TYR A 26 116.755 9.882 4.632 1.00 1.00 H new ATOM 0 HB2 TYR A 26 116.171 7.923 3.375 1.00 1.00 H new ATOM 0 HB3 TYR A 26 115.808 6.998 4.819 1.00 1.00 H new ATOM 0 HD1 TYR A 26 114.628 9.817 2.676 1.00 1.00 H new ATOM 0 HD2 TYR A 26 113.700 7.168 5.923 1.00 1.00 H new ATOM 0 HE1 TYR A 26 112.253 10.530 2.581 1.00 1.00 H new ATOM 0 HE2 TYR A 26 111.327 7.870 5.824 1.00 1.00 H new ATOM 0 HH TYR A 26 109.802 9.158 4.827 1.00 1.00 H new ATOM 415 N ALA A 27 115.789 8.441 7.416 1.00 1.00 N ATOM 416 CA ALA A 27 115.084 8.658 8.663 1.00 1.00 C ATOM 417 C ALA A 27 115.767 9.748 9.459 1.00 1.00 C ATOM 418 O ALA A 27 115.115 10.574 10.100 1.00 1.00 O ATOM 419 CB ALA A 27 115.029 7.365 9.478 1.00 1.00 C ATOM 0 H ALA A 27 116.271 7.545 7.350 1.00 1.00 H new ATOM 0 HA ALA A 27 114.064 8.969 8.439 1.00 1.00 H new ATOM 0 HB1 ALA A 27 114.496 7.546 10.412 1.00 1.00 H new ATOM 0 HB2 ALA A 27 114.509 6.596 8.906 1.00 1.00 H new ATOM 0 HB3 ALA A 27 116.043 7.030 9.698 1.00 1.00 H new ATOM 425 N GLU A 28 117.082 9.742 9.417 1.00 1.00 N ATOM 426 CA GLU A 28 117.858 10.722 10.138 1.00 1.00 C ATOM 427 C GLU A 28 117.724 12.102 9.507 1.00 1.00 C ATOM 428 O GLU A 28 117.654 13.110 10.211 1.00 1.00 O ATOM 429 CB GLU A 28 119.315 10.286 10.141 1.00 1.00 C ATOM 430 CG GLU A 28 119.467 9.049 11.034 1.00 1.00 C ATOM 431 CD GLU A 28 119.300 9.432 12.499 1.00 1.00 C ATOM 432 OE1 GLU A 28 119.478 10.597 12.811 1.00 1.00 O ATOM 433 OE2 GLU A 28 118.990 8.555 13.289 1.00 1.00 O ATOM 0 H GLU A 28 117.635 9.067 8.889 1.00 1.00 H new ATOM 0 HA GLU A 28 117.485 10.789 11.160 1.00 1.00 H new ATOM 0 HB2 GLU A 28 119.642 10.059 9.126 1.00 1.00 H new ATOM 0 HB3 GLU A 28 119.948 11.094 10.507 1.00 1.00 H new ATOM 0 HG2 GLU A 28 118.724 8.300 10.760 1.00 1.00 H new ATOM 0 HG3 GLU A 28 120.447 8.598 10.878 1.00 1.00 H new ATOM 440 N ALA A 29 117.696 12.145 8.177 1.00 1.00 N ATOM 441 CA ALA A 29 117.577 13.404 7.454 1.00 1.00 C ATOM 442 C ALA A 29 116.339 14.172 7.851 1.00 1.00 C ATOM 443 O ALA A 29 116.387 15.376 8.104 1.00 1.00 O ATOM 444 CB ALA A 29 117.444 13.109 5.967 1.00 1.00 C ATOM 0 H ALA A 29 117.754 11.320 7.580 1.00 1.00 H new ATOM 0 HA ALA A 29 118.463 13.994 7.688 1.00 1.00 H new ATOM 0 HB1 ALA A 29 117.354 14.046 5.417 1.00 1.00 H new ATOM 0 HB2 ALA A 29 118.326 12.569 5.623 1.00 1.00 H new ATOM 0 HB3 ALA A 29 116.556 12.501 5.795 1.00 1.00 H new ATOM 450 N LEU A 30 115.227 13.473 7.873 1.00 1.00 N ATOM 451 CA LEU A 30 113.973 14.098 8.201 1.00 1.00 C ATOM 452 C LEU A 30 113.989 14.583 9.630 1.00 1.00 C ATOM 453 O LEU A 30 113.508 15.663 9.931 1.00 1.00 O ATOM 454 CB LEU A 30 112.837 13.108 7.982 1.00 1.00 C ATOM 455 CG LEU A 30 112.715 12.803 6.487 1.00 1.00 C ATOM 456 CD1 LEU A 30 112.070 11.434 6.302 1.00 1.00 C ATOM 457 CD2 LEU A 30 111.822 13.849 5.806 1.00 1.00 C ATOM 0 H LEU A 30 115.168 12.476 7.668 1.00 1.00 H new ATOM 0 HA LEU A 30 113.819 14.960 7.552 1.00 1.00 H new ATOM 0 HB2 LEU A 30 113.027 12.190 8.538 1.00 1.00 H new ATOM 0 HB3 LEU A 30 111.901 13.521 8.358 1.00 1.00 H new ATOM 0 HG LEU A 30 113.711 12.821 6.044 1.00 1.00 H new ATOM 0 HD11 LEU A 30 111.982 11.214 5.238 1.00 1.00 H new ATOM 0 HD12 LEU A 30 112.687 10.673 6.780 1.00 1.00 H new ATOM 0 HD13 LEU A 30 111.079 11.434 6.756 1.00 1.00 H new ATOM 0 HD21 LEU A 30 111.742 13.622 4.743 1.00 1.00 H new ATOM 0 HD22 LEU A 30 110.830 13.829 6.257 1.00 1.00 H new ATOM 0 HD23 LEU A 30 112.259 14.839 5.934 1.00 1.00 H new ATOM 469 N GLU A 31 114.568 13.788 10.506 1.00 1.00 N ATOM 470 CA GLU A 31 114.645 14.139 11.894 1.00 1.00 C ATOM 471 C GLU A 31 115.338 15.457 12.069 1.00 1.00 C ATOM 472 O GLU A 31 114.887 16.321 12.811 1.00 1.00 O ATOM 473 CB GLU A 31 115.429 13.075 12.647 1.00 1.00 C ATOM 474 CG GLU A 31 114.455 12.212 13.418 1.00 1.00 C ATOM 475 CD GLU A 31 115.182 11.029 14.046 1.00 1.00 C ATOM 476 OE1 GLU A 31 116.378 10.914 13.838 1.00 1.00 O ATOM 477 OE2 GLU A 31 114.532 10.251 14.725 1.00 1.00 O ATOM 0 H GLU A 31 114.992 12.891 10.271 1.00 1.00 H new ATOM 0 HA GLU A 31 113.630 14.211 12.285 1.00 1.00 H new ATOM 0 HB2 GLU A 31 116.005 12.466 11.950 1.00 1.00 H new ATOM 0 HB3 GLU A 31 116.142 13.541 13.327 1.00 1.00 H new ATOM 0 HG2 GLU A 31 113.970 12.803 14.194 1.00 1.00 H new ATOM 0 HG3 GLU A 31 113.670 11.854 12.752 1.00 1.00 H new ATOM 484 N HIS A 32 116.448 15.598 11.383 1.00 1.00 N ATOM 485 CA HIS A 32 117.187 16.823 11.494 1.00 1.00 C ATOM 486 C HIS A 32 116.410 17.978 10.859 1.00 1.00 C ATOM 487 O HIS A 32 116.358 19.078 11.409 1.00 1.00 O ATOM 488 CB HIS A 32 118.563 16.692 10.838 1.00 1.00 C ATOM 489 CG HIS A 32 119.420 15.753 11.643 1.00 1.00 C ATOM 490 ND1 HIS A 32 119.748 16.001 12.967 1.00 1.00 N ATOM 491 CD2 HIS A 32 120.035 14.567 11.322 1.00 1.00 C ATOM 492 CE1 HIS A 32 120.526 14.989 13.390 1.00 1.00 C ATOM 493 NE2 HIS A 32 120.732 14.087 12.428 1.00 1.00 N ATOM 0 H HIS A 32 116.847 14.897 10.759 1.00 1.00 H new ATOM 0 HA HIS A 32 117.329 17.035 12.554 1.00 1.00 H new ATOM 0 HB2 HIS A 32 118.457 16.320 9.819 1.00 1.00 H new ATOM 0 HB3 HIS A 32 119.040 17.670 10.772 1.00 1.00 H new ATOM 0 HD2 HIS A 32 119.985 14.081 10.359 1.00 1.00 H new ATOM 0 HE1 HIS A 32 120.935 14.915 14.387 1.00 1.00 H new ATOM 0 HE2 HIS A 32 121.282 13.230 12.490 1.00 1.00 H new ATOM 501 N SER A 33 115.823 17.723 9.687 1.00 1.00 N ATOM 502 CA SER A 33 115.067 18.738 8.961 1.00 1.00 C ATOM 503 C SER A 33 113.863 19.216 9.738 1.00 1.00 C ATOM 504 O SER A 33 113.519 20.397 9.696 1.00 1.00 O ATOM 505 CB SER A 33 114.620 18.178 7.619 1.00 1.00 C ATOM 506 OG SER A 33 115.778 17.894 6.867 1.00 1.00 O ATOM 0 H SER A 33 115.859 16.816 9.221 1.00 1.00 H new ATOM 0 HA SER A 33 115.724 19.595 8.812 1.00 1.00 H new ATOM 0 HB2 SER A 33 114.025 17.276 7.760 1.00 1.00 H new ATOM 0 HB3 SER A 33 113.990 18.897 7.095 1.00 1.00 H new ATOM 0 HG SER A 33 116.039 18.688 6.356 1.00 1.00 H new ATOM 512 N LYS A 34 113.231 18.306 10.462 1.00 1.00 N ATOM 513 CA LYS A 34 112.084 18.673 11.257 1.00 1.00 C ATOM 514 C LYS A 34 112.519 19.733 12.240 1.00 1.00 C ATOM 515 O LYS A 34 111.731 20.574 12.671 1.00 1.00 O ATOM 516 CB LYS A 34 111.566 17.462 12.024 1.00 1.00 C ATOM 517 CG LYS A 34 110.879 16.489 11.058 1.00 1.00 C ATOM 518 CD LYS A 34 110.645 15.144 11.755 1.00 1.00 C ATOM 519 CE LYS A 34 110.668 14.014 10.723 1.00 1.00 C ATOM 520 NZ LYS A 34 109.855 12.868 11.226 1.00 1.00 N ATOM 0 H LYS A 34 113.493 17.321 10.512 1.00 1.00 H new ATOM 0 HA LYS A 34 111.288 19.044 10.611 1.00 1.00 H new ATOM 0 HB2 LYS A 34 112.391 16.962 12.532 1.00 1.00 H new ATOM 0 HB3 LYS A 34 110.863 17.781 12.794 1.00 1.00 H new ATOM 0 HG2 LYS A 34 109.929 16.905 10.722 1.00 1.00 H new ATOM 0 HG3 LYS A 34 111.496 16.347 10.171 1.00 1.00 H new ATOM 0 HD2 LYS A 34 111.414 14.976 12.509 1.00 1.00 H new ATOM 0 HD3 LYS A 34 109.687 15.155 12.274 1.00 1.00 H new ATOM 0 HE2 LYS A 34 110.270 14.367 9.772 1.00 1.00 H new ATOM 0 HE3 LYS A 34 111.694 13.694 10.540 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 109.869 12.099 10.526 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 110.254 12.527 12.124 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 108.874 13.179 11.379 1.00 1.00 H new ATOM 534 N GLN A 35 113.785 19.633 12.634 1.00 1.00 N ATOM 535 CA GLN A 35 114.339 20.544 13.628 1.00 1.00 C ATOM 536 C GLN A 35 115.065 21.706 12.993 1.00 1.00 C ATOM 537 O GLN A 35 114.964 22.843 13.449 1.00 1.00 O ATOM 538 CB GLN A 35 115.343 19.797 14.504 1.00 1.00 C ATOM 539 CG GLN A 35 114.670 18.570 15.094 1.00 1.00 C ATOM 540 CD GLN A 35 115.674 17.746 15.900 1.00 1.00 C ATOM 541 OE1 GLN A 35 116.810 18.174 16.103 1.00 1.00 O ATOM 542 NE2 GLN A 35 115.320 16.580 16.372 1.00 1.00 N ATOM 0 H GLN A 35 114.442 18.936 12.283 1.00 1.00 H new ATOM 0 HA GLN A 35 113.501 20.925 14.212 1.00 1.00 H new ATOM 0 HB2 GLN A 35 116.211 19.503 13.914 1.00 1.00 H new ATOM 0 HB3 GLN A 35 115.704 20.447 15.301 1.00 1.00 H new ATOM 0 HG2 GLN A 35 113.842 18.874 15.735 1.00 1.00 H new ATOM 0 HG3 GLN A 35 114.247 17.960 14.296 1.00 1.00 H new ATOM 0 HE21 GLN A 35 114.378 16.226 16.203 1.00 1.00 H new ATOM 0 HE22 GLN A 35 115.985 16.024 16.909 1.00 1.00 H new ATOM 551 N ASP A 36 115.842 21.410 11.968 1.00 1.00 N ATOM 552 CA ASP A 36 116.640 22.434 11.306 1.00 1.00 C ATOM 553 C ASP A 36 115.963 23.051 10.079 1.00 1.00 C ATOM 554 O ASP A 36 116.351 24.136 9.650 1.00 1.00 O ATOM 555 CB ASP A 36 117.987 21.838 10.893 1.00 1.00 C ATOM 556 CG ASP A 36 118.834 21.568 12.130 1.00 1.00 C ATOM 557 OD1 ASP A 36 118.767 22.364 13.054 1.00 1.00 O ATOM 558 OD2 ASP A 36 119.544 20.576 12.136 1.00 1.00 O ATOM 0 H ASP A 36 115.940 20.474 11.574 1.00 1.00 H new ATOM 0 HA ASP A 36 116.768 23.241 12.028 1.00 1.00 H new ATOM 0 HB2 ASP A 36 117.831 20.912 10.339 1.00 1.00 H new ATOM 0 HB3 ASP A 36 118.509 22.524 10.226 1.00 1.00 H new ATOM 563 N HIS A 37 114.939 22.384 9.538 1.00 1.00 N ATOM 564 CA HIS A 37 114.187 22.896 8.382 1.00 1.00 C ATOM 565 C HIS A 37 114.997 22.897 7.086 1.00 1.00 C ATOM 566 O HIS A 37 114.601 23.542 6.115 1.00 1.00 O ATOM 567 CB HIS A 37 113.688 24.318 8.662 1.00 1.00 C ATOM 568 CG HIS A 37 113.068 24.366 10.028 1.00 1.00 C ATOM 569 ND1 HIS A 37 113.791 24.719 11.154 1.00 1.00 N ATOM 570 CD2 HIS A 37 111.795 24.105 10.466 1.00 1.00 C ATOM 571 CE1 HIS A 37 112.955 24.663 12.207 1.00 1.00 C ATOM 572 NE2 HIS A 37 111.725 24.293 11.843 1.00 1.00 N ATOM 0 H HIS A 37 114.608 21.483 9.883 1.00 1.00 H new ATOM 0 HA HIS A 37 113.348 22.215 8.241 1.00 1.00 H new ATOM 0 HB2 HIS A 37 114.515 25.025 8.601 1.00 1.00 H new ATOM 0 HB3 HIS A 37 112.959 24.615 7.908 1.00 1.00 H new ATOM 0 HD2 HIS A 37 110.971 23.800 9.837 1.00 1.00 H new ATOM 0 HE1 HIS A 37 113.244 24.890 13.223 1.00 1.00 H new ATOM 0 HE2 HIS A 37 110.910 24.174 12.444 1.00 1.00 H new ATOM 580 N LYS A 38 116.128 22.204 7.064 1.00 1.00 N ATOM 581 CA LYS A 38 116.946 22.192 5.855 1.00 1.00 C ATOM 582 C LYS A 38 116.436 21.142 4.858 1.00 1.00 C ATOM 583 O LYS A 38 115.945 20.089 5.267 1.00 1.00 O ATOM 584 CB LYS A 38 118.407 21.918 6.210 1.00 1.00 C ATOM 585 CG LYS A 38 119.124 23.253 6.425 1.00 1.00 C ATOM 586 CD LYS A 38 120.384 23.041 7.263 1.00 1.00 C ATOM 587 CE LYS A 38 121.040 24.394 7.538 1.00 1.00 C ATOM 588 NZ LYS A 38 122.423 24.181 8.046 1.00 1.00 N ATOM 0 H LYS A 38 116.494 21.657 7.844 1.00 1.00 H new ATOM 0 HA LYS A 38 116.873 23.172 5.384 1.00 1.00 H new ATOM 0 HB2 LYS A 38 118.468 21.308 7.111 1.00 1.00 H new ATOM 0 HB3 LYS A 38 118.890 21.355 5.411 1.00 1.00 H new ATOM 0 HG2 LYS A 38 119.387 23.693 5.463 1.00 1.00 H new ATOM 0 HG3 LYS A 38 118.458 23.956 6.926 1.00 1.00 H new ATOM 0 HD2 LYS A 38 120.132 22.548 8.202 1.00 1.00 H new ATOM 0 HD3 LYS A 38 121.079 22.387 6.737 1.00 1.00 H new ATOM 0 HE2 LYS A 38 121.064 24.991 6.626 1.00 1.00 H new ATOM 0 HE3 LYS A 38 120.455 24.952 8.269 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 122.598 24.814 8.852 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 122.532 23.193 8.352 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 123.106 24.387 7.289 1.00 1.00 H new ATOM 602 N PRO A 39 116.529 21.403 3.566 1.00 1.00 N ATOM 603 CA PRO A 39 116.051 20.450 2.518 1.00 1.00 C ATOM 604 C PRO A 39 116.896 19.178 2.427 1.00 1.00 C ATOM 605 O PRO A 39 118.072 19.171 2.792 1.00 1.00 O ATOM 606 CB PRO A 39 116.119 21.254 1.221 1.00 1.00 C ATOM 607 CG PRO A 39 117.125 22.320 1.465 1.00 1.00 C ATOM 608 CD PRO A 39 117.094 22.622 2.961 1.00 1.00 C ATOM 0 HA PRO A 39 115.049 20.087 2.745 1.00 1.00 H new ATOM 0 HB2 PRO A 39 116.413 20.622 0.383 1.00 1.00 H new ATOM 0 HB3 PRO A 39 115.147 21.681 0.973 1.00 1.00 H new ATOM 0 HG2 PRO A 39 118.118 21.992 1.157 1.00 1.00 H new ATOM 0 HG3 PRO A 39 116.890 23.213 0.885 1.00 1.00 H new ATOM 0 HD2 PRO A 39 118.092 22.831 3.346 1.00 1.00 H new ATOM 0 HD3 PRO A 39 116.479 23.496 3.178 1.00 1.00 H new ATOM 616 N ILE A 40 116.268 18.100 1.956 1.00 1.00 N ATOM 617 CA ILE A 40 116.942 16.809 1.833 1.00 1.00 C ATOM 618 C ILE A 40 117.146 16.454 0.357 1.00 1.00 C ATOM 619 O ILE A 40 116.200 16.506 -0.427 1.00 1.00 O ATOM 620 CB ILE A 40 116.094 15.698 2.467 1.00 1.00 C ATOM 621 CG1 ILE A 40 115.256 16.255 3.634 1.00 1.00 C ATOM 622 CG2 ILE A 40 117.032 14.606 2.981 1.00 1.00 C ATOM 623 CD1 ILE A 40 114.354 15.153 4.210 1.00 1.00 C ATOM 0 H ILE A 40 115.294 18.096 1.654 1.00 1.00 H new ATOM 0 HA ILE A 40 117.903 16.888 2.342 1.00 1.00 H new ATOM 0 HB ILE A 40 115.412 15.291 1.721 1.00 1.00 H new ATOM 0 HG12 ILE A 40 115.914 16.641 4.413 1.00 1.00 H new ATOM 0 HG13 ILE A 40 114.647 17.090 3.288 1.00 1.00 H new ATOM 0 HG21 ILE A 40 116.446 13.807 3.435 1.00 1.00 H new ATOM 0 HG22 ILE A 40 117.611 14.203 2.150 1.00 1.00 H new ATOM 0 HG23 ILE A 40 117.708 15.028 3.724 1.00 1.00 H new ATOM 0 HD11 ILE A 40 113.766 15.558 5.034 1.00 1.00 H new ATOM 0 HD12 ILE A 40 113.684 14.787 3.432 1.00 1.00 H new ATOM 0 HD13 ILE A 40 114.971 14.331 4.573 1.00 1.00 H new ATOM 635 N GLY A 41 118.361 16.056 -0.009 1.00 1.00 N ATOM 636 CA GLY A 41 118.644 15.654 -1.383 1.00 1.00 C ATOM 637 C GLY A 41 118.807 14.136 -1.451 1.00 1.00 C ATOM 638 O GLY A 41 119.752 13.588 -0.884 1.00 1.00 O ATOM 0 H GLY A 41 119.161 16.003 0.622 1.00 1.00 H new ATOM 0 HA2 GLY A 41 117.834 15.972 -2.040 1.00 1.00 H new ATOM 0 HA3 GLY A 41 119.552 16.143 -1.736 1.00 1.00 H new ATOM 642 N LEU A 42 117.912 13.463 -2.181 1.00 1.00 N ATOM 643 CA LEU A 42 118.018 12.023 -2.335 1.00 1.00 C ATOM 644 C LEU A 42 118.740 11.737 -3.635 1.00 1.00 C ATOM 645 O LEU A 42 118.297 12.143 -4.712 1.00 1.00 O ATOM 646 CB LEU A 42 116.654 11.319 -2.427 1.00 1.00 C ATOM 647 CG LEU A 42 115.725 11.633 -1.249 1.00 1.00 C ATOM 648 CD1 LEU A 42 115.535 13.128 -1.054 1.00 1.00 C ATOM 649 CD2 LEU A 42 114.359 11.025 -1.547 1.00 1.00 C ATOM 0 H LEU A 42 117.122 13.890 -2.664 1.00 1.00 H new ATOM 0 HA LEU A 42 118.542 11.649 -1.455 1.00 1.00 H new ATOM 0 HB2 LEU A 42 116.164 11.613 -3.355 1.00 1.00 H new ATOM 0 HB3 LEU A 42 116.812 10.242 -2.478 1.00 1.00 H new ATOM 0 HG LEU A 42 116.174 11.222 -0.345 1.00 1.00 H new ATOM 0 HD11 LEU A 42 114.870 13.303 -0.209 1.00 1.00 H new ATOM 0 HD12 LEU A 42 116.500 13.595 -0.859 1.00 1.00 H new ATOM 0 HD13 LEU A 42 115.099 13.560 -1.955 1.00 1.00 H new ATOM 0 HD21 LEU A 42 113.679 11.236 -0.721 1.00 1.00 H new ATOM 0 HD22 LEU A 42 113.961 11.458 -2.465 1.00 1.00 H new ATOM 0 HD23 LEU A 42 114.459 9.946 -1.668 1.00 1.00 H new ATOM 661 N PHE A 43 119.862 11.057 -3.524 1.00 1.00 N ATOM 662 CA PHE A 43 120.662 10.732 -4.690 1.00 1.00 C ATOM 663 C PHE A 43 120.281 9.343 -5.206 1.00 1.00 C ATOM 664 O PHE A 43 120.659 8.333 -4.611 1.00 1.00 O ATOM 665 CB PHE A 43 122.134 10.780 -4.278 1.00 1.00 C ATOM 666 CG PHE A 43 123.029 10.766 -5.485 1.00 1.00 C ATOM 667 CD1 PHE A 43 122.994 11.831 -6.393 1.00 1.00 C ATOM 668 CD2 PHE A 43 123.909 9.701 -5.688 1.00 1.00 C ATOM 669 CE1 PHE A 43 123.836 11.826 -7.504 1.00 1.00 C ATOM 670 CE2 PHE A 43 124.750 9.698 -6.798 1.00 1.00 C ATOM 671 CZ PHE A 43 124.712 10.764 -7.709 1.00 1.00 C ATOM 0 H PHE A 43 120.242 10.718 -2.640 1.00 1.00 H new ATOM 0 HA PHE A 43 120.485 11.446 -5.495 1.00 1.00 H new ATOM 0 HB2 PHE A 43 122.322 11.679 -3.691 1.00 1.00 H new ATOM 0 HB3 PHE A 43 122.365 9.928 -3.639 1.00 1.00 H new ATOM 0 HD1 PHE A 43 122.315 12.656 -6.233 1.00 1.00 H new ATOM 0 HD2 PHE A 43 123.937 8.881 -4.986 1.00 1.00 H new ATOM 0 HE1 PHE A 43 123.809 12.646 -8.206 1.00 1.00 H new ATOM 0 HE2 PHE A 43 125.431 8.875 -6.957 1.00 1.00 H new ATOM 0 HZ PHE A 43 125.363 10.761 -8.571 1.00 1.00 H new ATOM 681 N PHE A 44 119.557 9.288 -6.329 1.00 1.00 N ATOM 682 CA PHE A 44 119.153 8.021 -6.943 1.00 1.00 C ATOM 683 C PHE A 44 120.159 7.646 -8.021 1.00 1.00 C ATOM 684 O PHE A 44 120.385 8.421 -8.948 1.00 1.00 O ATOM 685 CB PHE A 44 117.766 8.164 -7.568 1.00 1.00 C ATOM 686 CG PHE A 44 116.718 8.126 -6.487 1.00 1.00 C ATOM 687 CD1 PHE A 44 116.275 6.891 -6.003 1.00 1.00 C ATOM 688 CD2 PHE A 44 116.180 9.317 -5.974 1.00 1.00 C ATOM 689 CE1 PHE A 44 115.297 6.841 -5.006 1.00 1.00 C ATOM 690 CE2 PHE A 44 115.198 9.264 -4.980 1.00 1.00 C ATOM 691 CZ PHE A 44 114.758 8.026 -4.496 1.00 1.00 C ATOM 0 H PHE A 44 119.237 10.115 -6.834 1.00 1.00 H new ATOM 0 HA PHE A 44 119.121 7.243 -6.180 1.00 1.00 H new ATOM 0 HB2 PHE A 44 117.700 9.102 -8.120 1.00 1.00 H new ATOM 0 HB3 PHE A 44 117.594 7.360 -8.284 1.00 1.00 H new ATOM 0 HD1 PHE A 44 116.689 5.976 -6.400 1.00 1.00 H new ATOM 0 HD2 PHE A 44 116.523 10.271 -6.346 1.00 1.00 H new ATOM 0 HE1 PHE A 44 114.958 5.887 -4.630 1.00 1.00 H new ATOM 0 HE2 PHE A 44 114.779 10.178 -4.586 1.00 1.00 H new ATOM 0 HZ PHE A 44 114.001 7.986 -3.727 1.00 1.00 H new ATOM 701 N THR A 45 120.775 6.468 -7.893 1.00 1.00 N ATOM 702 CA THR A 45 121.767 6.068 -8.888 1.00 1.00 C ATOM 703 C THR A 45 121.981 4.559 -9.017 1.00 1.00 C ATOM 704 O THR A 45 121.370 3.753 -8.318 1.00 1.00 O ATOM 705 CB THR A 45 123.105 6.728 -8.552 1.00 1.00 C ATOM 706 OG1 THR A 45 123.383 6.550 -7.171 1.00 1.00 O ATOM 707 CG2 THR A 45 123.049 8.220 -8.874 1.00 1.00 C ATOM 0 H THR A 45 120.613 5.799 -7.141 1.00 1.00 H new ATOM 0 HA THR A 45 121.372 6.399 -9.849 1.00 1.00 H new ATOM 0 HB THR A 45 123.892 6.266 -9.148 1.00 1.00 H new ATOM 0 HG1 THR A 45 123.683 7.400 -6.786 1.00 1.00 H new ATOM 0 HG21 THR A 45 124.006 8.681 -8.631 1.00 1.00 H new ATOM 0 HG22 THR A 45 122.840 8.356 -9.935 1.00 1.00 H new ATOM 0 HG23 THR A 45 122.261 8.690 -8.286 1.00 1.00 H new ATOM 715 N GLY A 46 122.942 4.221 -9.876 1.00 1.00 N ATOM 716 CA GLY A 46 123.388 2.853 -10.102 1.00 1.00 C ATOM 717 C GLY A 46 124.905 2.885 -10.029 1.00 1.00 C ATOM 718 O GLY A 46 125.588 3.140 -11.021 1.00 1.00 O ATOM 0 H GLY A 46 123.440 4.906 -10.444 1.00 1.00 H new ATOM 0 HA2 GLY A 46 122.976 2.180 -9.350 1.00 1.00 H new ATOM 0 HA3 GLY A 46 123.052 2.489 -11.073 1.00 1.00 H new ATOM 722 N SER A 47 125.414 2.707 -8.819 1.00 1.00 N ATOM 723 CA SER A 47 126.841 2.796 -8.548 1.00 1.00 C ATOM 724 C SER A 47 127.721 1.907 -9.422 1.00 1.00 C ATOM 725 O SER A 47 128.854 2.283 -9.720 1.00 1.00 O ATOM 726 CB SER A 47 127.094 2.436 -7.084 1.00 1.00 C ATOM 727 OG SER A 47 128.488 2.241 -6.881 1.00 1.00 O ATOM 0 H SER A 47 124.849 2.497 -7.997 1.00 1.00 H new ATOM 0 HA SER A 47 127.120 3.824 -8.780 1.00 1.00 H new ATOM 0 HB2 SER A 47 126.728 3.231 -6.434 1.00 1.00 H new ATOM 0 HB3 SER A 47 126.547 1.531 -6.820 1.00 1.00 H new ATOM 0 HG SER A 47 128.653 2.011 -5.943 1.00 1.00 H new ATOM 733 N ASP A 48 127.253 0.712 -9.781 1.00 1.00 N ATOM 734 CA ASP A 48 128.083 -0.212 -10.550 1.00 1.00 C ATOM 735 C ASP A 48 127.739 -0.306 -12.042 1.00 1.00 C ATOM 736 O ASP A 48 128.439 -1.018 -12.760 1.00 1.00 O ATOM 737 CB ASP A 48 127.948 -1.602 -9.939 1.00 1.00 C ATOM 738 CG ASP A 48 128.565 -1.624 -8.546 1.00 1.00 C ATOM 739 OD1 ASP A 48 129.317 -0.714 -8.237 1.00 1.00 O ATOM 740 OD2 ASP A 48 128.276 -2.551 -7.806 1.00 1.00 O ATOM 0 H ASP A 48 126.320 0.366 -9.556 1.00 1.00 H new ATOM 0 HA ASP A 48 129.098 0.181 -10.498 1.00 1.00 H new ATOM 0 HB2 ASP A 48 126.896 -1.883 -9.884 1.00 1.00 H new ATOM 0 HB3 ASP A 48 128.441 -2.337 -10.575 1.00 1.00 H new ATOM 745 N TRP A 49 126.674 0.348 -12.521 1.00 1.00 N ATOM 746 CA TRP A 49 126.334 0.205 -13.947 1.00 1.00 C ATOM 747 C TRP A 49 125.982 1.508 -14.656 1.00 1.00 C ATOM 748 O TRP A 49 126.001 1.554 -15.887 1.00 1.00 O ATOM 749 CB TRP A 49 125.175 -0.777 -14.104 1.00 1.00 C ATOM 750 CG TRP A 49 124.117 -0.470 -13.099 1.00 1.00 C ATOM 751 CD1 TRP A 49 124.211 -0.726 -11.776 1.00 1.00 C ATOM 752 CD2 TRP A 49 122.807 0.133 -13.309 1.00 1.00 C ATOM 753 NE1 TRP A 49 123.047 -0.315 -11.158 1.00 1.00 N ATOM 754 CE2 TRP A 49 122.148 0.221 -12.061 1.00 1.00 C ATOM 755 CE3 TRP A 49 122.135 0.609 -14.451 1.00 1.00 C ATOM 756 CZ2 TRP A 49 120.865 0.763 -11.949 1.00 1.00 C ATOM 757 CZ3 TRP A 49 120.845 1.154 -14.342 1.00 1.00 C ATOM 758 CH2 TRP A 49 120.211 1.230 -13.093 1.00 1.00 C ATOM 0 H TRP A 49 126.058 0.953 -11.977 1.00 1.00 H new ATOM 0 HA TRP A 49 127.241 -0.164 -14.425 1.00 1.00 H new ATOM 0 HB2 TRP A 49 124.764 -0.711 -15.111 1.00 1.00 H new ATOM 0 HB3 TRP A 49 125.531 -1.799 -13.971 1.00 1.00 H new ATOM 0 HD1 TRP A 49 125.058 -1.178 -11.282 1.00 1.00 H new ATOM 0 HE1 TRP A 49 122.872 -0.397 -10.157 1.00 1.00 H new ATOM 0 HE3 TRP A 49 122.615 0.555 -15.417 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 120.382 0.821 -10.985 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 120.339 1.516 -15.224 1.00 1.00 H new ATOM 0 HH2 TRP A 49 119.219 1.649 -13.015 1.00 1.00 H new ATOM 769 N CYS A 50 125.659 2.563 -13.924 1.00 1.00 N ATOM 770 CA CYS A 50 125.311 3.832 -14.549 1.00 1.00 C ATOM 771 C CYS A 50 126.538 4.749 -14.603 1.00 1.00 C ATOM 772 O CYS A 50 126.973 5.290 -13.586 1.00 1.00 O ATOM 773 CB CYS A 50 124.179 4.480 -13.754 1.00 1.00 C ATOM 774 SG CYS A 50 123.918 6.173 -14.324 1.00 1.00 S ATOM 0 H CYS A 50 125.630 2.568 -12.904 1.00 1.00 H new ATOM 0 HA CYS A 50 124.977 3.663 -15.573 1.00 1.00 H new ATOM 0 HB2 CYS A 50 123.263 3.902 -13.872 1.00 1.00 H new ATOM 0 HB3 CYS A 50 124.422 4.478 -12.691 1.00 1.00 H new ATOM 779 N MET A 51 127.101 4.903 -15.803 1.00 1.00 N ATOM 780 CA MET A 51 128.293 5.728 -15.991 1.00 1.00 C ATOM 781 C MET A 51 127.995 7.206 -15.778 1.00 1.00 C ATOM 782 O MET A 51 128.805 7.927 -15.198 1.00 1.00 O ATOM 783 CB MET A 51 128.866 5.513 -17.398 1.00 1.00 C ATOM 784 CG MET A 51 130.153 6.328 -17.562 1.00 1.00 C ATOM 785 SD MET A 51 130.912 5.950 -19.163 1.00 1.00 S ATOM 786 CE MET A 51 129.623 6.659 -20.219 1.00 1.00 C ATOM 0 H MET A 51 126.751 4.468 -16.656 1.00 1.00 H new ATOM 0 HA MET A 51 129.026 5.422 -15.245 1.00 1.00 H new ATOM 0 HB2 MET A 51 129.071 4.455 -17.560 1.00 1.00 H new ATOM 0 HB3 MET A 51 128.135 5.814 -18.149 1.00 1.00 H new ATOM 0 HG2 MET A 51 129.932 7.393 -17.496 1.00 1.00 H new ATOM 0 HG3 MET A 51 130.848 6.096 -16.755 1.00 1.00 H new ATOM 0 HE1 MET A 51 130.037 6.873 -21.205 1.00 1.00 H new ATOM 0 HE2 MET A 51 128.801 5.949 -20.316 1.00 1.00 H new ATOM 0 HE3 MET A 51 129.254 7.582 -19.773 1.00 1.00 H new ATOM 796 N TRP A 52 126.837 7.662 -16.246 1.00 1.00 N ATOM 797 CA TRP A 52 126.465 9.059 -16.094 1.00 1.00 C ATOM 798 C TRP A 52 126.347 9.387 -14.618 1.00 1.00 C ATOM 799 O TRP A 52 126.614 10.509 -14.188 1.00 1.00 O ATOM 800 CB TRP A 52 125.129 9.338 -16.782 1.00 1.00 C ATOM 801 CG TRP A 52 125.249 9.051 -18.242 1.00 1.00 C ATOM 802 CD1 TRP A 52 126.095 9.672 -19.095 1.00 1.00 C ATOM 803 CD2 TRP A 52 124.512 8.077 -19.031 1.00 1.00 C ATOM 804 NE1 TRP A 52 125.921 9.140 -20.360 1.00 1.00 N ATOM 805 CE2 TRP A 52 124.957 8.151 -20.371 1.00 1.00 C ATOM 806 CE3 TRP A 52 123.511 7.143 -18.713 1.00 1.00 C ATOM 807 CZ2 TRP A 52 124.425 7.328 -21.364 1.00 1.00 C ATOM 808 CZ3 TRP A 52 122.973 6.313 -19.708 1.00 1.00 C ATOM 809 CH2 TRP A 52 123.429 6.404 -21.031 1.00 1.00 C ATOM 0 H TRP A 52 126.147 7.087 -16.730 1.00 1.00 H new ATOM 0 HA TRP A 52 127.233 9.679 -16.556 1.00 1.00 H new ATOM 0 HB2 TRP A 52 124.346 8.720 -16.343 1.00 1.00 H new ATOM 0 HB3 TRP A 52 124.839 10.377 -16.628 1.00 1.00 H new ATOM 0 HD1 TRP A 52 126.792 10.454 -18.832 1.00 1.00 H new ATOM 0 HE1 TRP A 52 126.441 9.441 -21.184 1.00 1.00 H new ATOM 0 HE3 TRP A 52 123.154 7.064 -17.697 1.00 1.00 H new ATOM 0 HZ2 TRP A 52 124.779 7.404 -22.381 1.00 1.00 H new ATOM 0 HZ3 TRP A 52 122.203 5.600 -19.454 1.00 1.00 H new ATOM 0 HH2 TRP A 52 123.012 5.761 -21.792 1.00 1.00 H new ATOM 820 N CYS A 53 125.953 8.388 -13.850 1.00 1.00 N ATOM 821 CA CYS A 53 125.807 8.560 -12.423 1.00 1.00 C ATOM 822 C CYS A 53 127.171 8.731 -11.802 1.00 1.00 C ATOM 823 O CYS A 53 127.366 9.580 -10.941 1.00 1.00 O ATOM 824 CB CYS A 53 125.093 7.357 -11.821 1.00 1.00 C ATOM 825 SG CYS A 53 123.484 7.163 -12.623 1.00 1.00 S ATOM 0 H CYS A 53 125.730 7.453 -14.192 1.00 1.00 H new ATOM 0 HA CYS A 53 125.208 9.448 -12.221 1.00 1.00 H new ATOM 0 HB2 CYS A 53 125.692 6.457 -11.957 1.00 1.00 H new ATOM 0 HB3 CYS A 53 124.964 7.494 -10.747 1.00 1.00 H new ATOM 830 N ILE A 54 128.127 7.950 -12.268 1.00 1.00 N ATOM 831 CA ILE A 54 129.467 8.067 -11.750 1.00 1.00 C ATOM 832 C ILE A 54 129.945 9.474 -12.015 1.00 1.00 C ATOM 833 O ILE A 54 130.567 10.102 -11.160 1.00 1.00 O ATOM 834 CB ILE A 54 130.404 7.092 -12.441 1.00 1.00 C ATOM 835 CG1 ILE A 54 130.023 5.652 -12.064 1.00 1.00 C ATOM 836 CG2 ILE A 54 131.834 7.384 -11.996 1.00 1.00 C ATOM 837 CD1 ILE A 54 130.819 4.651 -12.911 1.00 1.00 C ATOM 0 H ILE A 54 128.000 7.242 -12.991 1.00 1.00 H new ATOM 0 HA ILE A 54 129.463 7.842 -10.683 1.00 1.00 H new ATOM 0 HB ILE A 54 130.325 7.205 -13.522 1.00 1.00 H new ATOM 0 HG12 ILE A 54 130.221 5.482 -11.006 1.00 1.00 H new ATOM 0 HG13 ILE A 54 128.955 5.499 -12.217 1.00 1.00 H new ATOM 0 HG21 ILE A 54 132.517 6.690 -12.486 1.00 1.00 H new ATOM 0 HG22 ILE A 54 132.098 8.406 -12.268 1.00 1.00 H new ATOM 0 HG23 ILE A 54 131.910 7.266 -10.915 1.00 1.00 H new ATOM 0 HD11 ILE A 54 130.539 3.635 -12.633 1.00 1.00 H new ATOM 0 HD12 ILE A 54 130.599 4.812 -13.966 1.00 1.00 H new ATOM 0 HD13 ILE A 54 131.885 4.794 -12.736 1.00 1.00 H new ATOM 849 N LYS A 55 129.662 9.963 -13.217 1.00 1.00 N ATOM 850 CA LYS A 55 130.081 11.295 -13.592 1.00 1.00 C ATOM 851 C LYS A 55 129.462 12.336 -12.669 1.00 1.00 C ATOM 852 O LYS A 55 130.156 13.241 -12.209 1.00 1.00 O ATOM 853 CB LYS A 55 129.687 11.584 -15.044 1.00 1.00 C ATOM 854 CG LYS A 55 130.450 10.658 -16.004 1.00 1.00 C ATOM 855 CD LYS A 55 131.943 11.026 -16.043 1.00 1.00 C ATOM 856 CE LYS A 55 132.587 10.434 -17.300 1.00 1.00 C ATOM 857 NZ LYS A 55 133.994 10.915 -17.406 1.00 1.00 N ATOM 0 H LYS A 55 129.148 9.457 -13.938 1.00 1.00 H new ATOM 0 HA LYS A 55 131.166 11.351 -13.498 1.00 1.00 H new ATOM 0 HB2 LYS A 55 128.614 11.443 -15.170 1.00 1.00 H new ATOM 0 HB3 LYS A 55 129.903 12.625 -15.285 1.00 1.00 H new ATOM 0 HG2 LYS A 55 130.334 9.622 -15.687 1.00 1.00 H new ATOM 0 HG3 LYS A 55 130.025 10.734 -17.005 1.00 1.00 H new ATOM 0 HD2 LYS A 55 132.061 12.110 -16.038 1.00 1.00 H new ATOM 0 HD3 LYS A 55 132.444 10.647 -15.153 1.00 1.00 H new ATOM 0 HE2 LYS A 55 132.565 9.345 -17.255 1.00 1.00 H new ATOM 0 HE3 LYS A 55 132.022 10.728 -18.185 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 134.434 10.515 -18.259 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 134.002 11.953 -17.467 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 134.528 10.613 -16.566 1.00 1.00 H new ATOM 871 N MET A 56 128.165 12.206 -12.372 1.00 1.00 N ATOM 872 CA MET A 56 127.521 13.158 -11.488 1.00 1.00 C ATOM 873 C MET A 56 128.179 13.104 -10.116 1.00 1.00 C ATOM 874 O MET A 56 128.459 14.136 -9.507 1.00 1.00 O ATOM 875 CB MET A 56 126.016 12.879 -11.380 1.00 1.00 C ATOM 876 CG MET A 56 125.369 13.946 -10.490 1.00 1.00 C ATOM 877 SD MET A 56 123.574 13.954 -10.724 1.00 1.00 S ATOM 878 CE MET A 56 123.195 15.197 -9.463 1.00 1.00 C ATOM 0 H MET A 56 127.559 11.465 -12.726 1.00 1.00 H new ATOM 0 HA MET A 56 127.641 14.159 -11.902 1.00 1.00 H new ATOM 0 HB2 MET A 56 125.560 12.889 -12.370 1.00 1.00 H new ATOM 0 HB3 MET A 56 125.847 11.887 -10.961 1.00 1.00 H new ATOM 0 HG2 MET A 56 125.605 13.749 -9.444 1.00 1.00 H new ATOM 0 HG3 MET A 56 125.778 14.927 -10.730 1.00 1.00 H new ATOM 0 HE1 MET A 56 122.641 14.731 -8.648 1.00 1.00 H new ATOM 0 HE2 MET A 56 124.123 15.618 -9.076 1.00 1.00 H new ATOM 0 HE3 MET A 56 122.593 15.991 -9.904 1.00 1.00 H new ATOM 888 N GLN A 57 128.441 11.886 -9.638 1.00 1.00 N ATOM 889 CA GLN A 57 129.079 11.709 -8.342 1.00 1.00 C ATOM 890 C GLN A 57 130.474 12.288 -8.345 1.00 1.00 C ATOM 891 O GLN A 57 130.848 13.053 -7.456 1.00 1.00 O ATOM 892 CB GLN A 57 129.229 10.227 -8.007 1.00 1.00 C ATOM 893 CG GLN A 57 127.868 9.612 -7.789 1.00 1.00 C ATOM 894 CD GLN A 57 128.009 8.147 -7.392 1.00 1.00 C ATOM 895 OE1 GLN A 57 128.835 7.807 -6.544 1.00 1.00 O ATOM 896 NE2 GLN A 57 127.246 7.253 -7.960 1.00 1.00 N ATOM 0 H GLN A 57 128.222 11.018 -10.127 1.00 1.00 H new ATOM 0 HA GLN A 57 128.446 12.214 -7.612 1.00 1.00 H new ATOM 0 HB2 GLN A 57 129.745 9.712 -8.817 1.00 1.00 H new ATOM 0 HB3 GLN A 57 129.840 10.107 -7.112 1.00 1.00 H new ATOM 0 HG2 GLN A 57 127.335 10.158 -7.010 1.00 1.00 H new ATOM 0 HG3 GLN A 57 127.274 9.694 -8.699 1.00 1.00 H new ATOM 0 HE21 GLN A 57 126.563 7.537 -8.662 1.00 1.00 H new ATOM 0 HE22 GLN A 57 127.333 6.270 -7.702 1.00 1.00 H new ATOM 905 N ASP A 58 131.249 11.897 -9.334 1.00 1.00 N ATOM 906 CA ASP A 58 132.632 12.346 -9.426 1.00 1.00 C ATOM 907 C ASP A 58 132.766 13.836 -9.729 1.00 1.00 C ATOM 908 O ASP A 58 133.664 14.492 -9.198 1.00 1.00 O ATOM 909 CB ASP A 58 133.350 11.543 -10.515 1.00 1.00 C ATOM 910 CG ASP A 58 134.819 11.947 -10.596 1.00 1.00 C ATOM 911 OD1 ASP A 58 135.202 12.874 -9.903 1.00 1.00 O ATOM 912 OD2 ASP A 58 135.544 11.317 -11.350 1.00 1.00 O ATOM 0 H ASP A 58 130.952 11.273 -10.084 1.00 1.00 H new ATOM 0 HA ASP A 58 133.085 12.180 -8.449 1.00 1.00 H new ATOM 0 HB2 ASP A 58 133.271 10.477 -10.301 1.00 1.00 H new ATOM 0 HB3 ASP A 58 132.867 11.711 -11.477 1.00 1.00 H new ATOM 917 N GLN A 59 131.936 14.368 -10.615 1.00 1.00 N ATOM 918 CA GLN A 59 132.079 15.769 -10.990 1.00 1.00 C ATOM 919 C GLN A 59 131.270 16.766 -10.154 1.00 1.00 C ATOM 920 O GLN A 59 131.657 17.934 -10.097 1.00 1.00 O ATOM 921 CB GLN A 59 131.716 15.938 -12.466 1.00 1.00 C ATOM 922 CG GLN A 59 132.758 15.219 -13.331 1.00 1.00 C ATOM 923 CD GLN A 59 132.413 15.370 -14.810 1.00 1.00 C ATOM 924 OE1 GLN A 59 131.487 16.100 -15.162 1.00 1.00 O ATOM 925 NE2 GLN A 59 133.107 14.715 -15.702 1.00 1.00 N ATOM 0 H GLN A 59 131.176 13.868 -11.077 1.00 1.00 H new ATOM 0 HA GLN A 59 133.124 16.011 -10.794 1.00 1.00 H new ATOM 0 HB2 GLN A 59 130.724 15.529 -12.657 1.00 1.00 H new ATOM 0 HB3 GLN A 59 131.680 16.996 -12.724 1.00 1.00 H new ATOM 0 HG2 GLN A 59 133.748 15.631 -13.138 1.00 1.00 H new ATOM 0 HG3 GLN A 59 132.795 14.163 -13.065 1.00 1.00 H new ATOM 0 HE21 GLN A 59 133.874 14.110 -15.408 1.00 1.00 H new ATOM 0 HE22 GLN A 59 132.882 14.808 -16.692 1.00 1.00 H new ATOM 934 N ILE A 60 130.137 16.362 -9.561 1.00 1.00 N ATOM 935 CA ILE A 60 129.325 17.334 -8.814 1.00 1.00 C ATOM 936 C ILE A 60 129.217 17.026 -7.326 1.00 1.00 C ATOM 937 O ILE A 60 129.520 17.892 -6.506 1.00 1.00 O ATOM 938 CB ILE A 60 127.915 17.402 -9.417 1.00 1.00 C ATOM 939 CG1 ILE A 60 128.010 17.837 -10.881 1.00 1.00 C ATOM 940 CG2 ILE A 60 127.076 18.435 -8.653 1.00 1.00 C ATOM 941 CD1 ILE A 60 126.654 17.633 -11.563 1.00 1.00 C ATOM 0 H ILE A 60 129.773 15.409 -9.580 1.00 1.00 H new ATOM 0 HA ILE A 60 129.837 18.292 -8.903 1.00 1.00 H new ATOM 0 HB ILE A 60 127.448 16.420 -9.346 1.00 1.00 H new ATOM 0 HG12 ILE A 60 128.306 18.884 -10.942 1.00 1.00 H new ATOM 0 HG13 ILE A 60 128.778 17.258 -11.394 1.00 1.00 H new ATOM 0 HG21 ILE A 60 126.076 18.481 -9.083 1.00 1.00 H new ATOM 0 HG22 ILE A 60 127.007 18.144 -7.605 1.00 1.00 H new ATOM 0 HG23 ILE A 60 127.549 19.414 -8.728 1.00 1.00 H new ATOM 0 HD11 ILE A 60 126.721 17.943 -12.606 1.00 1.00 H new ATOM 0 HD12 ILE A 60 126.377 16.580 -11.514 1.00 1.00 H new ATOM 0 HD13 ILE A 60 125.898 18.231 -11.055 1.00 1.00 H new ATOM 953 N LEU A 61 128.756 15.846 -6.952 1.00 1.00 N ATOM 954 CA LEU A 61 128.596 15.543 -5.532 1.00 1.00 C ATOM 955 C LEU A 61 129.940 15.579 -4.817 1.00 1.00 C ATOM 956 O LEU A 61 130.027 16.044 -3.680 1.00 1.00 O ATOM 957 CB LEU A 61 127.956 14.166 -5.301 1.00 1.00 C ATOM 958 CG LEU A 61 126.474 14.118 -5.748 1.00 1.00 C ATOM 959 CD1 LEU A 61 125.574 14.694 -4.659 1.00 1.00 C ATOM 960 CD2 LEU A 61 126.241 14.921 -7.023 1.00 1.00 C ATOM 0 H LEU A 61 128.490 15.095 -7.589 1.00 1.00 H new ATOM 0 HA LEU A 61 127.934 16.308 -5.127 1.00 1.00 H new ATOM 0 HB2 LEU A 61 128.521 13.410 -5.846 1.00 1.00 H new ATOM 0 HB3 LEU A 61 128.021 13.911 -4.243 1.00 1.00 H new ATOM 0 HG LEU A 61 126.234 13.071 -5.934 1.00 1.00 H new ATOM 0 HD11 LEU A 61 124.535 14.654 -4.987 1.00 1.00 H new ATOM 0 HD12 LEU A 61 125.689 14.111 -3.746 1.00 1.00 H new ATOM 0 HD13 LEU A 61 125.854 15.730 -4.466 1.00 1.00 H new ATOM 0 HD21 LEU A 61 125.189 14.862 -7.303 1.00 1.00 H new ATOM 0 HD22 LEU A 61 126.513 15.963 -6.852 1.00 1.00 H new ATOM 0 HD23 LEU A 61 126.854 14.513 -7.827 1.00 1.00 H new ATOM 972 N GLN A 62 130.986 15.061 -5.463 1.00 1.00 N ATOM 973 CA GLN A 62 132.301 15.023 -4.839 1.00 1.00 C ATOM 974 C GLN A 62 133.119 16.284 -5.123 1.00 1.00 C ATOM 975 O GLN A 62 134.292 16.362 -4.761 1.00 1.00 O ATOM 976 CB GLN A 62 133.074 13.787 -5.307 1.00 1.00 C ATOM 977 CG GLN A 62 132.422 12.535 -4.718 1.00 1.00 C ATOM 978 CD GLN A 62 133.174 11.287 -5.170 1.00 1.00 C ATOM 979 OE1 GLN A 62 133.277 11.022 -6.367 1.00 1.00 O ATOM 980 NE2 GLN A 62 133.701 10.493 -4.275 1.00 1.00 N ATOM 0 H GLN A 62 130.946 14.669 -6.404 1.00 1.00 H new ATOM 0 HA GLN A 62 132.141 14.972 -3.762 1.00 1.00 H new ATOM 0 HB2 GLN A 62 133.074 13.734 -6.396 1.00 1.00 H new ATOM 0 HB3 GLN A 62 134.115 13.853 -4.991 1.00 1.00 H new ATOM 0 HG2 GLN A 62 132.422 12.594 -3.630 1.00 1.00 H new ATOM 0 HG3 GLN A 62 131.381 12.475 -5.034 1.00 1.00 H new ATOM 0 HE21 GLN A 62 133.615 10.714 -3.283 1.00 1.00 H new ATOM 0 HE22 GLN A 62 134.198 9.652 -4.569 1.00 1.00 H new ATOM 989 N SER A 63 132.505 17.270 -5.772 1.00 1.00 N ATOM 990 CA SER A 63 133.205 18.516 -6.089 1.00 1.00 C ATOM 991 C SER A 63 133.267 19.426 -4.865 1.00 1.00 C ATOM 992 O SER A 63 132.412 19.346 -3.986 1.00 1.00 O ATOM 993 CB SER A 63 132.478 19.247 -7.213 1.00 1.00 C ATOM 994 OG SER A 63 131.450 20.057 -6.658 1.00 1.00 O ATOM 0 H SER A 63 131.535 17.234 -6.087 1.00 1.00 H new ATOM 0 HA SER A 63 134.219 18.267 -6.401 1.00 1.00 H new ATOM 0 HB2 SER A 63 133.180 19.864 -7.775 1.00 1.00 H new ATOM 0 HB3 SER A 63 132.053 18.529 -7.914 1.00 1.00 H new ATOM 0 HG SER A 63 130.609 19.554 -6.644 1.00 1.00 H new ATOM 1000 N SER A 64 134.299 20.270 -4.790 1.00 1.00 N ATOM 1001 CA SER A 64 134.483 21.157 -3.644 1.00 1.00 C ATOM 1002 C SER A 64 133.315 22.120 -3.438 1.00 1.00 C ATOM 1003 O SER A 64 132.883 22.320 -2.302 1.00 1.00 O ATOM 1004 CB SER A 64 135.774 21.959 -3.818 1.00 1.00 C ATOM 1005 OG SER A 64 136.884 21.071 -3.792 1.00 1.00 O ATOM 0 H SER A 64 135.017 20.356 -5.509 1.00 1.00 H new ATOM 0 HA SER A 64 134.537 20.523 -2.759 1.00 1.00 H new ATOM 0 HB2 SER A 64 135.752 22.505 -4.761 1.00 1.00 H new ATOM 0 HB3 SER A 64 135.866 22.699 -3.023 1.00 1.00 H new ATOM 0 HG SER A 64 137.713 21.581 -3.905 1.00 1.00 H new ATOM 1011 N GLU A 65 132.817 22.740 -4.504 1.00 1.00 N ATOM 1012 CA GLU A 65 131.726 23.692 -4.359 1.00 1.00 C ATOM 1013 C GLU A 65 130.477 23.007 -3.829 1.00 1.00 C ATOM 1014 O GLU A 65 129.798 23.534 -2.948 1.00 1.00 O ATOM 1015 CB GLU A 65 131.412 24.332 -5.715 1.00 1.00 C ATOM 1016 CG GLU A 65 132.640 25.088 -6.230 1.00 1.00 C ATOM 1017 CD GLU A 65 132.950 26.276 -5.324 1.00 1.00 C ATOM 1018 OE1 GLU A 65 132.065 26.689 -4.595 1.00 1.00 O ATOM 1019 OE2 GLU A 65 134.072 26.755 -5.375 1.00 1.00 O ATOM 0 H GLU A 65 133.145 22.603 -5.460 1.00 1.00 H new ATOM 0 HA GLU A 65 132.035 24.459 -3.649 1.00 1.00 H new ATOM 0 HB2 GLU A 65 131.120 23.564 -6.431 1.00 1.00 H new ATOM 0 HB3 GLU A 65 130.568 25.015 -5.618 1.00 1.00 H new ATOM 0 HG2 GLU A 65 133.499 24.417 -6.268 1.00 1.00 H new ATOM 0 HG3 GLU A 65 132.461 25.435 -7.248 1.00 1.00 H new ATOM 1026 N PHE A 66 130.190 21.824 -4.352 1.00 1.00 N ATOM 1027 CA PHE A 66 129.032 21.067 -3.909 1.00 1.00 C ATOM 1028 C PHE A 66 129.175 20.669 -2.443 1.00 1.00 C ATOM 1029 O PHE A 66 128.223 20.756 -1.670 1.00 1.00 O ATOM 1030 CB PHE A 66 128.874 19.807 -4.752 1.00 1.00 C ATOM 1031 CG PHE A 66 127.548 19.170 -4.428 1.00 1.00 C ATOM 1032 CD1 PHE A 66 127.425 18.339 -3.308 1.00 1.00 C ATOM 1033 CD2 PHE A 66 126.440 19.419 -5.241 1.00 1.00 C ATOM 1034 CE1 PHE A 66 126.190 17.756 -3.004 1.00 1.00 C ATOM 1035 CE2 PHE A 66 125.204 18.837 -4.939 1.00 1.00 C ATOM 1036 CZ PHE A 66 125.079 18.005 -3.820 1.00 1.00 C ATOM 0 H PHE A 66 130.741 21.370 -5.080 1.00 1.00 H new ATOM 0 HA PHE A 66 128.152 21.700 -4.024 1.00 1.00 H new ATOM 0 HB2 PHE A 66 128.925 20.053 -5.813 1.00 1.00 H new ATOM 0 HB3 PHE A 66 129.687 19.111 -4.547 1.00 1.00 H new ATOM 0 HD1 PHE A 66 128.282 18.148 -2.679 1.00 1.00 H new ATOM 0 HD2 PHE A 66 126.537 20.061 -6.104 1.00 1.00 H new ATOM 0 HE1 PHE A 66 126.093 17.114 -2.141 1.00 1.00 H new ATOM 0 HE2 PHE A 66 124.348 19.029 -5.568 1.00 1.00 H new ATOM 0 HZ PHE A 66 124.126 17.555 -3.586 1.00 1.00 H new ATOM 1046 N LYS A 67 130.376 20.223 -2.080 1.00 1.00 N ATOM 1047 CA LYS A 67 130.649 19.801 -0.714 1.00 1.00 C ATOM 1048 C LYS A 67 130.423 20.936 0.264 1.00 1.00 C ATOM 1049 O LYS A 67 129.805 20.748 1.312 1.00 1.00 O ATOM 1050 CB LYS A 67 132.109 19.358 -0.585 1.00 1.00 C ATOM 1051 CG LYS A 67 132.315 17.955 -1.156 1.00 1.00 C ATOM 1052 CD LYS A 67 133.807 17.618 -1.077 1.00 1.00 C ATOM 1053 CE LYS A 67 134.047 16.174 -1.514 1.00 1.00 C ATOM 1054 NZ LYS A 67 135.504 15.868 -1.428 1.00 1.00 N ATOM 0 H LYS A 67 131.172 20.146 -2.713 1.00 1.00 H new ATOM 0 HA LYS A 67 129.972 18.978 -0.485 1.00 1.00 H new ATOM 0 HB2 LYS A 67 132.753 20.064 -1.108 1.00 1.00 H new ATOM 0 HB3 LYS A 67 132.405 19.373 0.464 1.00 1.00 H new ATOM 0 HG2 LYS A 67 131.731 17.227 -0.594 1.00 1.00 H new ATOM 0 HG3 LYS A 67 131.970 17.911 -2.189 1.00 1.00 H new ATOM 0 HD2 LYS A 67 134.375 18.297 -1.713 1.00 1.00 H new ATOM 0 HD3 LYS A 67 134.166 17.761 -0.058 1.00 1.00 H new ATOM 0 HE2 LYS A 67 133.482 15.491 -0.879 1.00 1.00 H new ATOM 0 HE3 LYS A 67 133.693 16.027 -2.534 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 135.670 14.885 -1.725 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 136.031 16.512 -2.051 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 135.828 15.993 -0.448 1.00 1.00 H new ATOM 1068 N HIS A 68 130.943 22.111 -0.065 1.00 1.00 N ATOM 1069 CA HIS A 68 130.811 23.246 0.814 1.00 1.00 C ATOM 1070 C HIS A 68 129.369 23.699 0.926 1.00 1.00 C ATOM 1071 O HIS A 68 128.877 23.963 2.023 1.00 1.00 O ATOM 1072 CB HIS A 68 131.673 24.403 0.308 1.00 1.00 C ATOM 1073 CG HIS A 68 131.542 25.569 1.249 1.00 1.00 C ATOM 1074 ND1 HIS A 68 130.588 26.560 1.070 1.00 1.00 N ATOM 1075 CD2 HIS A 68 132.232 25.914 2.385 1.00 1.00 C ATOM 1076 CE1 HIS A 68 130.730 27.443 2.075 1.00 1.00 C ATOM 1077 NE2 HIS A 68 131.717 27.097 2.904 1.00 1.00 N ATOM 0 H HIS A 68 131.454 22.294 -0.928 1.00 1.00 H new ATOM 0 HA HIS A 68 131.149 22.940 1.804 1.00 1.00 H new ATOM 0 HB2 HIS A 68 132.715 24.092 0.239 1.00 1.00 H new ATOM 0 HB3 HIS A 68 131.360 24.693 -0.695 1.00 1.00 H new ATOM 0 HD2 HIS A 68 133.050 25.352 2.811 1.00 1.00 H new ATOM 0 HE1 HIS A 68 130.119 28.325 2.196 1.00 1.00 H new ATOM 0 HE2 HIS A 68 132.027 27.594 3.739 1.00 1.00 H new ATOM 1085 N PHE A 69 128.694 23.809 -0.211 1.00 1.00 N ATOM 1086 CA PHE A 69 127.320 24.254 -0.230 1.00 1.00 C ATOM 1087 C PHE A 69 126.422 23.304 0.547 1.00 1.00 C ATOM 1088 O PHE A 69 125.605 23.733 1.362 1.00 1.00 O ATOM 1089 CB PHE A 69 126.850 24.364 -1.681 1.00 1.00 C ATOM 1090 CG PHE A 69 125.360 24.592 -1.724 1.00 1.00 C ATOM 1091 CD1 PHE A 69 124.818 25.798 -1.263 1.00 1.00 C ATOM 1092 CD2 PHE A 69 124.522 23.595 -2.233 1.00 1.00 C ATOM 1093 CE1 PHE A 69 123.431 26.003 -1.310 1.00 1.00 C ATOM 1094 CE2 PHE A 69 123.142 23.800 -2.278 1.00 1.00 C ATOM 1095 CZ PHE A 69 122.596 25.004 -1.818 1.00 1.00 C ATOM 0 H PHE A 69 129.082 23.594 -1.129 1.00 1.00 H new ATOM 0 HA PHE A 69 127.259 25.230 0.252 1.00 1.00 H new ATOM 0 HB2 PHE A 69 127.366 25.185 -2.178 1.00 1.00 H new ATOM 0 HB3 PHE A 69 127.103 23.453 -2.224 1.00 1.00 H new ATOM 0 HD1 PHE A 69 125.466 26.568 -0.872 1.00 1.00 H new ATOM 0 HD2 PHE A 69 124.942 22.667 -2.591 1.00 1.00 H new ATOM 0 HE1 PHE A 69 123.009 26.931 -0.954 1.00 1.00 H new ATOM 0 HE2 PHE A 69 122.495 23.029 -2.668 1.00 1.00 H new ATOM 0 HZ PHE A 69 121.528 25.161 -1.856 1.00 1.00 H new ATOM 1105 N ALA A 70 126.541 22.015 0.250 1.00 1.00 N ATOM 1106 CA ALA A 70 125.702 21.011 0.877 1.00 1.00 C ATOM 1107 C ALA A 70 126.022 20.794 2.351 1.00 1.00 C ATOM 1108 O ALA A 70 125.121 20.532 3.147 1.00 1.00 O ATOM 1109 CB ALA A 70 125.809 19.682 0.130 1.00 1.00 C ATOM 0 H ALA A 70 127.212 21.644 -0.422 1.00 1.00 H new ATOM 0 HA ALA A 70 124.682 21.391 0.822 1.00 1.00 H new ATOM 0 HB1 ALA A 70 125.173 18.940 0.614 1.00 1.00 H new ATOM 0 HB2 ALA A 70 125.487 19.818 -0.902 1.00 1.00 H new ATOM 0 HB3 ALA A 70 126.843 19.338 0.145 1.00 1.00 H new ATOM 1115 N GLY A 71 127.289 20.892 2.722 1.00 1.00 N ATOM 1116 CA GLY A 71 127.663 20.685 4.109 1.00 1.00 C ATOM 1117 C GLY A 71 127.025 21.748 4.976 1.00 1.00 C ATOM 1118 O GLY A 71 126.655 21.496 6.123 1.00 1.00 O ATOM 0 H GLY A 71 128.062 21.110 2.094 1.00 1.00 H new ATOM 0 HA2 GLY A 71 127.345 19.696 4.437 1.00 1.00 H new ATOM 0 HA3 GLY A 71 128.748 20.721 4.212 1.00 1.00 H new ATOM 1122 N VAL A 72 126.930 22.950 4.429 1.00 1.00 N ATOM 1123 CA VAL A 72 126.376 24.072 5.150 1.00 1.00 C ATOM 1124 C VAL A 72 124.854 24.182 5.018 1.00 1.00 C ATOM 1125 O VAL A 72 124.186 24.528 5.992 1.00 1.00 O ATOM 1126 CB VAL A 72 127.038 25.352 4.641 1.00 1.00 C ATOM 1127 CG1 VAL A 72 126.138 26.554 4.913 1.00 1.00 C ATOM 1128 CG2 VAL A 72 128.377 25.546 5.356 1.00 1.00 C ATOM 0 H VAL A 72 127.234 23.168 3.480 1.00 1.00 H new ATOM 0 HA VAL A 72 126.580 23.919 6.210 1.00 1.00 H new ATOM 0 HB VAL A 72 127.200 25.268 3.566 1.00 1.00 H new ATOM 0 HG11 VAL A 72 126.620 27.460 4.546 1.00 1.00 H new ATOM 0 HG12 VAL A 72 125.185 26.418 4.402 1.00 1.00 H new ATOM 0 HG13 VAL A 72 125.965 26.644 5.985 1.00 1.00 H new ATOM 0 HG21 VAL A 72 128.853 26.458 4.996 1.00 1.00 H new ATOM 0 HG22 VAL A 72 128.208 25.624 6.430 1.00 1.00 H new ATOM 0 HG23 VAL A 72 129.025 24.694 5.152 1.00 1.00 H new ATOM 1138 N HIS A 73 124.310 24.001 3.810 1.00 1.00 N ATOM 1139 CA HIS A 73 122.876 24.211 3.586 1.00 1.00 C ATOM 1140 C HIS A 73 122.019 22.960 3.366 1.00 1.00 C ATOM 1141 O HIS A 73 120.806 23.116 3.217 1.00 1.00 O ATOM 1142 CB HIS A 73 122.698 25.132 2.380 1.00 1.00 C ATOM 1143 CG HIS A 73 123.089 26.530 2.757 1.00 1.00 C ATOM 1144 ND1 HIS A 73 124.140 27.196 2.147 1.00 1.00 N ATOM 1145 CD2 HIS A 73 122.569 27.406 3.673 1.00 1.00 C ATOM 1146 CE1 HIS A 73 124.215 28.422 2.697 1.00 1.00 C ATOM 1147 NE2 HIS A 73 123.280 28.601 3.633 1.00 1.00 N ATOM 0 H HIS A 73 124.833 23.713 2.983 1.00 1.00 H new ATOM 0 HA HIS A 73 122.514 24.639 4.521 1.00 1.00 H new ATOM 0 HB2 HIS A 73 123.311 24.783 1.549 1.00 1.00 H new ATOM 0 HB3 HIS A 73 121.662 25.111 2.043 1.00 1.00 H new ATOM 0 HD2 HIS A 73 121.734 27.200 4.327 1.00 1.00 H new ATOM 0 HE1 HIS A 73 124.942 29.169 2.416 1.00 1.00 H new ATOM 0 HE2 HIS A 73 123.121 29.435 4.198 1.00 1.00 H new ATOM 1155 N LEU A 74 122.584 21.749 3.264 1.00 1.00 N ATOM 1156 CA LEU A 74 121.709 20.600 2.969 1.00 1.00 C ATOM 1157 C LEU A 74 121.976 19.335 3.762 1.00 1.00 C ATOM 1158 O LEU A 74 123.057 19.132 4.314 1.00 1.00 O ATOM 1159 CB LEU A 74 121.812 20.222 1.489 1.00 1.00 C ATOM 1160 CG LEU A 74 121.142 21.273 0.602 1.00 1.00 C ATOM 1161 CD1 LEU A 74 122.168 22.287 0.119 1.00 1.00 C ATOM 1162 CD2 LEU A 74 120.525 20.572 -0.604 1.00 1.00 C ATOM 0 H LEU A 74 123.577 21.542 3.372 1.00 1.00 H new ATOM 0 HA LEU A 74 120.720 20.956 3.257 1.00 1.00 H new ATOM 0 HB2 LEU A 74 122.861 20.121 1.209 1.00 1.00 H new ATOM 0 HB3 LEU A 74 121.343 19.252 1.325 1.00 1.00 H new ATOM 0 HG LEU A 74 120.374 21.793 1.175 1.00 1.00 H new ATOM 0 HD11 LEU A 74 121.678 23.029 -0.511 1.00 1.00 H new ATOM 0 HD12 LEU A 74 122.622 22.783 0.977 1.00 1.00 H new ATOM 0 HD13 LEU A 74 122.941 21.777 -0.456 1.00 1.00 H new ATOM 0 HD21 LEU A 74 120.043 21.309 -1.246 1.00 1.00 H new ATOM 0 HD22 LEU A 74 121.306 20.057 -1.164 1.00 1.00 H new ATOM 0 HD23 LEU A 74 119.785 19.848 -0.264 1.00 1.00 H new ATOM 1174 N HIS A 75 120.991 18.445 3.702 1.00 1.00 N ATOM 1175 CA HIS A 75 121.089 17.125 4.292 1.00 1.00 C ATOM 1176 C HIS A 75 121.084 16.177 3.101 1.00 1.00 C ATOM 1177 O HIS A 75 120.147 16.202 2.306 1.00 1.00 O ATOM 1178 CB HIS A 75 119.904 16.857 5.222 1.00 1.00 C ATOM 1179 CG HIS A 75 119.968 17.798 6.397 1.00 1.00 C ATOM 1180 ND1 HIS A 75 118.918 17.943 7.290 1.00 1.00 N ATOM 1181 CD2 HIS A 75 120.956 18.644 6.840 1.00 1.00 C ATOM 1182 CE1 HIS A 75 119.294 18.845 8.216 1.00 1.00 C ATOM 1183 NE2 HIS A 75 120.529 19.302 7.989 1.00 1.00 N ATOM 0 H HIS A 75 120.100 18.625 3.239 1.00 1.00 H new ATOM 0 HA HIS A 75 121.982 17.006 4.906 1.00 1.00 H new ATOM 0 HB2 HIS A 75 118.966 16.994 4.683 1.00 1.00 H new ATOM 0 HB3 HIS A 75 119.925 15.824 5.568 1.00 1.00 H new ATOM 0 HD1 HIS A 75 118.023 17.455 7.252 1.00 1.00 H new ATOM 0 HD2 HIS A 75 121.918 18.778 6.368 1.00 1.00 H new ATOM 0 HE1 HIS A 75 118.673 19.161 9.042 1.00 1.00 H new ATOM 1191 N MET A 76 122.134 15.380 2.941 1.00 1.00 N ATOM 1192 CA MET A 76 122.208 14.489 1.785 1.00 1.00 C ATOM 1193 C MET A 76 121.941 13.040 2.164 1.00 1.00 C ATOM 1194 O MET A 76 122.406 12.551 3.194 1.00 1.00 O ATOM 1195 CB MET A 76 123.589 14.600 1.128 1.00 1.00 C ATOM 1196 CG MET A 76 123.836 16.041 0.646 1.00 1.00 C ATOM 1197 SD MET A 76 122.560 16.552 -0.539 1.00 1.00 S ATOM 1198 CE MET A 76 123.071 15.514 -1.932 1.00 1.00 C ATOM 0 H MET A 76 122.929 15.330 3.579 1.00 1.00 H new ATOM 0 HA MET A 76 121.434 14.799 1.083 1.00 1.00 H new ATOM 0 HB2 MET A 76 124.362 14.309 1.839 1.00 1.00 H new ATOM 0 HB3 MET A 76 123.655 13.911 0.286 1.00 1.00 H new ATOM 0 HG2 MET A 76 123.839 16.719 1.499 1.00 1.00 H new ATOM 0 HG3 MET A 76 124.819 16.110 0.181 1.00 1.00 H new ATOM 0 HE1 MET A 76 122.812 16.008 -2.868 1.00 1.00 H new ATOM 0 HE2 MET A 76 124.149 15.355 -1.891 1.00 1.00 H new ATOM 0 HE3 MET A 76 122.560 14.553 -1.876 1.00 1.00 H new ATOM 1208 N VAL A 77 121.195 12.358 1.298 1.00 1.00 N ATOM 1209 CA VAL A 77 120.872 10.960 1.505 1.00 1.00 C ATOM 1210 C VAL A 77 121.252 10.184 0.258 1.00 1.00 C ATOM 1211 O VAL A 77 120.928 10.592 -0.857 1.00 1.00 O ATOM 1212 CB VAL A 77 119.378 10.804 1.788 1.00 1.00 C ATOM 1213 CG1 VAL A 77 118.992 9.328 1.716 1.00 1.00 C ATOM 1214 CG2 VAL A 77 119.068 11.330 3.188 1.00 1.00 C ATOM 0 H VAL A 77 120.804 12.758 0.445 1.00 1.00 H new ATOM 0 HA VAL A 77 121.426 10.575 2.361 1.00 1.00 H new ATOM 0 HB VAL A 77 118.812 11.368 1.046 1.00 1.00 H new ATOM 0 HG11 VAL A 77 117.926 9.220 1.918 1.00 1.00 H new ATOM 0 HG12 VAL A 77 119.213 8.942 0.721 1.00 1.00 H new ATOM 0 HG13 VAL A 77 119.561 8.767 2.457 1.00 1.00 H new ATOM 0 HG21 VAL A 77 118.003 11.219 3.391 1.00 1.00 H new ATOM 0 HG22 VAL A 77 119.638 10.763 3.924 1.00 1.00 H new ATOM 0 HG23 VAL A 77 119.341 12.383 3.250 1.00 1.00 H new ATOM 1224 N GLU A 78 121.947 9.075 0.450 1.00 1.00 N ATOM 1225 CA GLU A 78 122.376 8.261 -0.674 1.00 1.00 C ATOM 1226 C GLU A 78 121.412 7.109 -0.885 1.00 1.00 C ATOM 1227 O GLU A 78 121.125 6.347 0.038 1.00 1.00 O ATOM 1228 CB GLU A 78 123.780 7.710 -0.418 1.00 1.00 C ATOM 1229 CG GLU A 78 124.291 7.007 -1.677 1.00 1.00 C ATOM 1230 CD GLU A 78 125.709 6.495 -1.451 1.00 1.00 C ATOM 1231 OE1 GLU A 78 126.127 6.450 -0.305 1.00 1.00 O ATOM 1232 OE2 GLU A 78 126.357 6.151 -2.426 1.00 1.00 O ATOM 0 H GLU A 78 122.224 8.720 1.365 1.00 1.00 H new ATOM 0 HA GLU A 78 122.391 8.884 -1.568 1.00 1.00 H new ATOM 0 HB2 GLU A 78 124.455 8.520 -0.142 1.00 1.00 H new ATOM 0 HB3 GLU A 78 123.761 7.012 0.419 1.00 1.00 H new ATOM 0 HG2 GLU A 78 123.632 6.177 -1.932 1.00 1.00 H new ATOM 0 HG3 GLU A 78 124.275 7.697 -2.520 1.00 1.00 H new ATOM 1239 N VAL A 79 120.924 6.986 -2.109 1.00 1.00 N ATOM 1240 CA VAL A 79 119.998 5.923 -2.451 1.00 1.00 C ATOM 1241 C VAL A 79 120.484 5.235 -3.721 1.00 1.00 C ATOM 1242 O VAL A 79 120.311 5.748 -4.826 1.00 1.00 O ATOM 1243 CB VAL A 79 118.596 6.505 -2.679 1.00 1.00 C ATOM 1244 CG1 VAL A 79 117.552 5.400 -2.512 1.00 1.00 C ATOM 1245 CG2 VAL A 79 118.318 7.625 -1.663 1.00 1.00 C ATOM 0 H VAL A 79 121.155 7.611 -2.882 1.00 1.00 H new ATOM 0 HA VAL A 79 119.950 5.201 -1.636 1.00 1.00 H new ATOM 0 HB VAL A 79 118.541 6.915 -3.688 1.00 1.00 H new ATOM 0 HG11 VAL A 79 116.556 5.813 -2.674 1.00 1.00 H new ATOM 0 HG12 VAL A 79 117.740 4.609 -3.239 1.00 1.00 H new ATOM 0 HG13 VAL A 79 117.615 4.989 -1.504 1.00 1.00 H new ATOM 0 HG21 VAL A 79 117.321 8.031 -1.833 1.00 1.00 H new ATOM 0 HG22 VAL A 79 118.378 7.222 -0.652 1.00 1.00 H new ATOM 0 HG23 VAL A 79 119.058 8.417 -1.783 1.00 1.00 H new ATOM 1255 N ASP A 80 121.197 4.124 -3.531 1.00 1.00 N ATOM 1256 CA ASP A 80 121.828 3.443 -4.661 1.00 1.00 C ATOM 1257 C ASP A 80 121.171 2.138 -5.091 1.00 1.00 C ATOM 1258 O ASP A 80 120.654 1.393 -4.256 1.00 1.00 O ATOM 1259 CB ASP A 80 123.295 3.164 -4.324 1.00 1.00 C ATOM 1260 CG ASP A 80 123.390 2.159 -3.181 1.00 1.00 C ATOM 1261 OD1 ASP A 80 122.363 1.863 -2.593 1.00 1.00 O ATOM 1262 OD2 ASP A 80 124.489 1.702 -2.913 1.00 1.00 O ATOM 0 H ASP A 80 121.350 3.684 -2.624 1.00 1.00 H new ATOM 0 HA ASP A 80 121.715 4.124 -5.505 1.00 1.00 H new ATOM 0 HB2 ASP A 80 123.810 2.776 -5.203 1.00 1.00 H new ATOM 0 HB3 ASP A 80 123.795 4.092 -4.045 1.00 1.00 H new ATOM 1267 N PHE A 81 121.230 1.843 -6.387 1.00 1.00 N ATOM 1268 CA PHE A 81 120.679 0.601 -6.913 1.00 1.00 C ATOM 1269 C PHE A 81 121.771 -0.128 -7.695 1.00 1.00 C ATOM 1270 O PHE A 81 121.787 -0.098 -8.926 1.00 1.00 O ATOM 1271 CB PHE A 81 119.499 0.901 -7.839 1.00 1.00 C ATOM 1272 CG PHE A 81 118.266 1.149 -7.010 1.00 1.00 C ATOM 1273 CD1 PHE A 81 118.108 2.365 -6.335 1.00 1.00 C ATOM 1274 CD2 PHE A 81 117.279 0.161 -6.913 1.00 1.00 C ATOM 1275 CE1 PHE A 81 116.963 2.592 -5.563 1.00 1.00 C ATOM 1276 CE2 PHE A 81 116.134 0.389 -6.141 1.00 1.00 C ATOM 1277 CZ PHE A 81 115.977 1.605 -5.465 1.00 1.00 C ATOM 0 H PHE A 81 121.654 2.448 -7.090 1.00 1.00 H new ATOM 0 HA PHE A 81 120.329 -0.021 -6.090 1.00 1.00 H new ATOM 0 HB2 PHE A 81 119.718 1.773 -8.455 1.00 1.00 H new ATOM 0 HB3 PHE A 81 119.333 0.064 -8.518 1.00 1.00 H new ATOM 0 HD1 PHE A 81 118.869 3.128 -6.410 1.00 1.00 H new ATOM 0 HD2 PHE A 81 117.401 -0.777 -7.434 1.00 1.00 H new ATOM 0 HE1 PHE A 81 116.841 3.530 -5.042 1.00 1.00 H new ATOM 0 HE2 PHE A 81 115.372 -0.373 -6.067 1.00 1.00 H new ATOM 0 HZ PHE A 81 115.094 1.781 -4.868 1.00 1.00 H new ATOM 1287 N PRO A 82 122.697 -0.751 -7.007 1.00 1.00 N ATOM 1288 CA PRO A 82 123.831 -1.463 -7.652 1.00 1.00 C ATOM 1289 C PRO A 82 123.447 -2.809 -8.249 1.00 1.00 C ATOM 1290 O PRO A 82 122.442 -3.408 -7.868 1.00 1.00 O ATOM 1291 CB PRO A 82 124.852 -1.620 -6.530 1.00 1.00 C ATOM 1292 CG PRO A 82 124.064 -1.622 -5.262 1.00 1.00 C ATOM 1293 CD PRO A 82 122.761 -0.858 -5.536 1.00 1.00 C ATOM 0 HA PRO A 82 124.211 -0.904 -8.507 1.00 1.00 H new ATOM 0 HB2 PRO A 82 125.416 -2.546 -6.641 1.00 1.00 H new ATOM 0 HB3 PRO A 82 125.574 -0.803 -6.541 1.00 1.00 H new ATOM 0 HG2 PRO A 82 123.852 -2.642 -4.943 1.00 1.00 H new ATOM 0 HG3 PRO A 82 124.627 -1.147 -4.458 1.00 1.00 H new ATOM 0 HD2 PRO A 82 121.897 -1.391 -5.139 1.00 1.00 H new ATOM 0 HD3 PRO A 82 122.772 0.126 -5.067 1.00 1.00 H new ATOM 1301 N GLN A 83 124.279 -3.293 -9.157 1.00 1.00 N ATOM 1302 CA GLN A 83 124.037 -4.593 -9.769 1.00 1.00 C ATOM 1303 C GLN A 83 124.338 -5.695 -8.755 1.00 1.00 C ATOM 1304 O GLN A 83 123.580 -6.655 -8.617 1.00 1.00 O ATOM 1305 CB GLN A 83 124.925 -4.764 -11.003 1.00 1.00 C ATOM 1306 CG GLN A 83 126.381 -4.890 -10.557 1.00 1.00 C ATOM 1307 CD GLN A 83 127.315 -4.732 -11.752 1.00 1.00 C ATOM 1308 OE1 GLN A 83 127.274 -3.713 -12.442 1.00 1.00 O ATOM 1309 NE2 GLN A 83 128.159 -5.684 -12.040 1.00 1.00 N ATOM 0 H GLN A 83 125.118 -2.814 -9.485 1.00 1.00 H new ATOM 0 HA GLN A 83 122.993 -4.658 -10.076 1.00 1.00 H new ATOM 0 HB2 GLN A 83 124.625 -5.650 -11.562 1.00 1.00 H new ATOM 0 HB3 GLN A 83 124.809 -3.911 -11.671 1.00 1.00 H new ATOM 0 HG2 GLN A 83 126.606 -4.131 -9.808 1.00 1.00 H new ATOM 0 HG3 GLN A 83 126.542 -5.860 -10.087 1.00 1.00 H new ATOM 0 HE21 GLN A 83 128.191 -6.527 -11.467 1.00 1.00 H new ATOM 0 HE22 GLN A 83 128.787 -5.585 -12.838 1.00 1.00 H new ATOM 1318 N LYS A 84 125.419 -5.507 -8.006 1.00 1.00 N ATOM 1319 CA LYS A 84 125.800 -6.427 -6.953 1.00 1.00 C ATOM 1320 C LYS A 84 125.325 -5.813 -5.648 1.00 1.00 C ATOM 1321 O LYS A 84 125.935 -4.895 -5.098 1.00 1.00 O ATOM 1322 CB LYS A 84 127.313 -6.614 -6.938 1.00 1.00 C ATOM 1323 CG LYS A 84 127.660 -7.995 -6.380 1.00 1.00 C ATOM 1324 CD LYS A 84 129.161 -8.205 -6.496 1.00 1.00 C ATOM 1325 CE LYS A 84 129.533 -9.583 -5.955 1.00 1.00 C ATOM 1326 NZ LYS A 84 131.000 -9.788 -6.104 1.00 1.00 N ATOM 0 H LYS A 84 126.051 -4.714 -8.115 1.00 1.00 H new ATOM 0 HA LYS A 84 125.353 -7.409 -7.106 1.00 1.00 H new ATOM 0 HB2 LYS A 84 127.711 -6.509 -7.947 1.00 1.00 H new ATOM 0 HB3 LYS A 84 127.778 -5.839 -6.329 1.00 1.00 H new ATOM 0 HG2 LYS A 84 127.347 -8.071 -5.339 1.00 1.00 H new ATOM 0 HG3 LYS A 84 127.126 -8.770 -6.930 1.00 1.00 H new ATOM 0 HD2 LYS A 84 129.470 -8.117 -7.537 1.00 1.00 H new ATOM 0 HD3 LYS A 84 129.690 -7.431 -5.940 1.00 1.00 H new ATOM 0 HE2 LYS A 84 129.247 -9.664 -4.906 1.00 1.00 H new ATOM 0 HE3 LYS A 84 128.989 -10.358 -6.495 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 131.259 -10.726 -5.737 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 131.259 -9.727 -7.109 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 131.509 -9.055 -5.570 1.00 1.00 H new ATOM 1340 N ASN A 85 124.188 -6.304 -5.219 1.00 1.00 N ATOM 1341 CA ASN A 85 123.526 -5.793 -4.020 1.00 1.00 C ATOM 1342 C ASN A 85 123.958 -6.499 -2.734 1.00 1.00 C ATOM 1343 O ASN A 85 123.998 -7.724 -2.635 1.00 1.00 O ATOM 1344 CB ASN A 85 122.012 -5.953 -4.171 1.00 1.00 C ATOM 1345 CG ASN A 85 121.490 -5.061 -5.292 1.00 1.00 C ATOM 1346 OD1 ASN A 85 122.096 -4.040 -5.611 1.00 1.00 O ATOM 1347 ND2 ASN A 85 120.392 -5.391 -5.914 1.00 1.00 N ATOM 0 H ASN A 85 123.689 -7.065 -5.680 1.00 1.00 H new ATOM 0 HA ASN A 85 123.817 -4.746 -3.931 1.00 1.00 H new ATOM 0 HB2 ASN A 85 121.770 -6.994 -4.384 1.00 1.00 H new ATOM 0 HB3 ASN A 85 121.518 -5.696 -3.234 1.00 1.00 H new ATOM 0 HD21 ASN A 85 120.035 -4.802 -6.666 1.00 1.00 H new ATOM 0 HD22 ASN A 85 119.890 -6.238 -5.648 1.00 1.00 H new ATOM 1354 N HIS A 86 124.275 -5.650 -1.759 1.00 1.00 N ATOM 1355 CA HIS A 86 124.706 -6.141 -0.453 1.00 1.00 C ATOM 1356 C HIS A 86 124.093 -5.318 0.677 1.00 1.00 C ATOM 1357 O HIS A 86 124.554 -5.383 1.816 1.00 1.00 O ATOM 1358 CB HIS A 86 126.232 -6.088 -0.347 1.00 1.00 C ATOM 1359 CG HIS A 86 126.842 -7.018 -1.358 1.00 1.00 C ATOM 1360 ND1 HIS A 86 126.579 -8.379 -1.362 1.00 1.00 N ATOM 1361 CD2 HIS A 86 127.719 -6.803 -2.395 1.00 1.00 C ATOM 1362 CE1 HIS A 86 127.283 -8.926 -2.368 1.00 1.00 C ATOM 1363 NE2 HIS A 86 127.996 -8.010 -3.030 1.00 1.00 N ATOM 0 H HIS A 86 124.243 -4.634 -1.846 1.00 1.00 H new ATOM 0 HA HIS A 86 124.366 -7.172 -0.357 1.00 1.00 H new ATOM 0 HB2 HIS A 86 126.583 -5.070 -0.517 1.00 1.00 H new ATOM 0 HB3 HIS A 86 126.547 -6.370 0.658 1.00 1.00 H new ATOM 0 HD1 HIS A 86 125.963 -8.875 -0.718 1.00 1.00 H new ATOM 0 HD2 HIS A 86 128.130 -5.844 -2.674 1.00 1.00 H new ATOM 0 HE1 HIS A 86 127.274 -9.978 -2.612 1.00 1.00 H new ATOM 1371 N GLN A 87 123.061 -4.538 0.369 1.00 1.00 N ATOM 1372 CA GLN A 87 122.421 -3.711 1.387 1.00 1.00 C ATOM 1373 C GLN A 87 121.424 -4.540 2.221 1.00 1.00 C ATOM 1374 O GLN A 87 120.760 -5.422 1.678 1.00 1.00 O ATOM 1375 CB GLN A 87 121.677 -2.554 0.719 1.00 1.00 C ATOM 1376 CG GLN A 87 122.677 -1.661 -0.018 1.00 1.00 C ATOM 1377 CD GLN A 87 121.948 -0.814 -1.053 1.00 1.00 C ATOM 1378 OE1 GLN A 87 121.358 0.211 -0.715 1.00 1.00 O ATOM 1379 NE2 GLN A 87 121.951 -1.186 -2.304 1.00 1.00 N ATOM 0 H GLN A 87 122.655 -4.461 -0.563 1.00 1.00 H new ATOM 0 HA GLN A 87 123.196 -3.323 2.049 1.00 1.00 H new ATOM 0 HB2 GLN A 87 120.935 -2.940 0.020 1.00 1.00 H new ATOM 0 HB3 GLN A 87 121.138 -1.974 1.468 1.00 1.00 H new ATOM 0 HG2 GLN A 87 123.196 -1.017 0.692 1.00 1.00 H new ATOM 0 HG3 GLN A 87 123.435 -2.274 -0.505 1.00 1.00 H new ATOM 0 HE21 GLN A 87 122.441 -2.036 -2.582 1.00 1.00 H new ATOM 0 HE22 GLN A 87 121.463 -0.626 -3.004 1.00 1.00 H new ATOM 1388 N PRO A 88 121.285 -4.276 3.511 1.00 1.00 N ATOM 1389 CA PRO A 88 120.320 -5.031 4.370 1.00 1.00 C ATOM 1390 C PRO A 88 118.896 -4.961 3.831 1.00 1.00 C ATOM 1391 O PRO A 88 118.515 -3.990 3.178 1.00 1.00 O ATOM 1392 CB PRO A 88 120.370 -4.334 5.733 1.00 1.00 C ATOM 1393 CG PRO A 88 121.575 -3.458 5.734 1.00 1.00 C ATOM 1394 CD PRO A 88 122.026 -3.262 4.286 1.00 1.00 C ATOM 0 HA PRO A 88 120.589 -6.086 4.410 1.00 1.00 H new ATOM 0 HB2 PRO A 88 119.467 -3.747 5.898 1.00 1.00 H new ATOM 0 HB3 PRO A 88 120.426 -5.067 6.538 1.00 1.00 H new ATOM 0 HG2 PRO A 88 121.345 -2.497 6.194 1.00 1.00 H new ATOM 0 HG3 PRO A 88 122.373 -3.910 6.323 1.00 1.00 H new ATOM 0 HD2 PRO A 88 121.799 -2.255 3.936 1.00 1.00 H new ATOM 0 HD3 PRO A 88 123.103 -3.399 4.187 1.00 1.00 H new ATOM 1402 N GLU A 89 118.121 -6.012 4.081 1.00 1.00 N ATOM 1403 CA GLU A 89 116.749 -6.081 3.600 1.00 1.00 C ATOM 1404 C GLU A 89 115.970 -4.812 3.948 1.00 1.00 C ATOM 1405 O GLU A 89 115.290 -4.253 3.094 1.00 1.00 O ATOM 1406 CB GLU A 89 116.068 -7.300 4.225 1.00 1.00 C ATOM 1407 CG GLU A 89 114.693 -7.519 3.596 1.00 1.00 C ATOM 1408 CD GLU A 89 114.070 -8.786 4.172 1.00 1.00 C ATOM 1409 OE1 GLU A 89 114.577 -9.269 5.173 1.00 1.00 O ATOM 1410 OE2 GLU A 89 113.102 -9.260 3.602 1.00 1.00 O ATOM 0 H GLU A 89 118.422 -6.827 4.615 1.00 1.00 H new ATOM 0 HA GLU A 89 116.762 -6.171 2.514 1.00 1.00 H new ATOM 0 HB2 GLU A 89 116.687 -8.185 4.080 1.00 1.00 H new ATOM 0 HB3 GLU A 89 115.965 -7.156 5.301 1.00 1.00 H new ATOM 0 HG2 GLU A 89 114.050 -6.662 3.794 1.00 1.00 H new ATOM 0 HG3 GLU A 89 114.785 -7.605 2.513 1.00 1.00 H new ATOM 1417 N GLU A 90 116.049 -4.365 5.197 1.00 1.00 N ATOM 1418 CA GLU A 90 115.308 -3.173 5.619 1.00 1.00 C ATOM 1419 C GLU A 90 115.695 -1.952 4.791 1.00 1.00 C ATOM 1420 O GLU A 90 114.845 -1.128 4.453 1.00 1.00 O ATOM 1421 CB GLU A 90 115.592 -2.890 7.099 1.00 1.00 C ATOM 1422 CG GLU A 90 115.053 -4.034 7.967 1.00 1.00 C ATOM 1423 CD GLU A 90 113.531 -4.093 7.877 1.00 1.00 C ATOM 1424 OE1 GLU A 90 112.940 -3.094 7.504 1.00 1.00 O ATOM 1425 OE2 GLU A 90 112.980 -5.136 8.189 1.00 1.00 O ATOM 0 H GLU A 90 116.610 -4.801 5.929 1.00 1.00 H new ATOM 0 HA GLU A 90 114.246 -3.366 5.468 1.00 1.00 H new ATOM 0 HB2 GLU A 90 116.665 -2.778 7.257 1.00 1.00 H new ATOM 0 HB3 GLU A 90 115.127 -1.949 7.393 1.00 1.00 H new ATOM 0 HG2 GLU A 90 115.481 -4.981 7.639 1.00 1.00 H new ATOM 0 HG3 GLU A 90 115.358 -3.888 9.003 1.00 1.00 H new ATOM 1432 N GLN A 91 116.973 -1.840 4.470 1.00 1.00 N ATOM 1433 CA GLN A 91 117.458 -0.710 3.684 1.00 1.00 C ATOM 1434 C GLN A 91 116.944 -0.799 2.253 1.00 1.00 C ATOM 1435 O GLN A 91 116.587 0.215 1.655 1.00 1.00 O ATOM 1436 CB GLN A 91 118.985 -0.699 3.678 1.00 1.00 C ATOM 1437 CG GLN A 91 119.485 0.537 2.931 1.00 1.00 C ATOM 1438 CD GLN A 91 120.998 0.643 3.058 1.00 1.00 C ATOM 1439 OE1 GLN A 91 121.584 0.104 3.996 1.00 1.00 O ATOM 1440 NE2 GLN A 91 121.672 1.299 2.155 1.00 1.00 N ATOM 0 H GLN A 91 117.692 -2.512 4.738 1.00 1.00 H new ATOM 0 HA GLN A 91 117.090 0.211 4.136 1.00 1.00 H new ATOM 0 HB2 GLN A 91 119.363 -0.696 4.700 1.00 1.00 H new ATOM 0 HB3 GLN A 91 119.364 -1.603 3.201 1.00 1.00 H new ATOM 0 HG2 GLN A 91 119.203 0.476 1.880 1.00 1.00 H new ATOM 0 HG3 GLN A 91 119.014 1.433 3.336 1.00 1.00 H new ATOM 0 HE21 GLN A 91 121.184 1.745 1.378 1.00 1.00 H new ATOM 0 HE22 GLN A 91 122.687 1.366 2.225 1.00 1.00 H new ATOM 1449 N ARG A 92 116.914 -2.004 1.702 1.00 1.00 N ATOM 1450 CA ARG A 92 116.446 -2.185 0.337 1.00 1.00 C ATOM 1451 C ARG A 92 114.958 -1.873 0.232 1.00 1.00 C ATOM 1452 O ARG A 92 114.523 -1.237 -0.727 1.00 1.00 O ATOM 1453 CB ARG A 92 116.715 -3.617 -0.125 1.00 1.00 C ATOM 1454 CG ARG A 92 118.221 -3.803 -0.315 1.00 1.00 C ATOM 1455 CD ARG A 92 118.526 -5.260 -0.662 1.00 1.00 C ATOM 1456 NE ARG A 92 117.951 -5.611 -1.955 1.00 1.00 N ATOM 1457 CZ ARG A 92 118.036 -6.849 -2.428 1.00 1.00 C ATOM 1458 NH1 ARG A 92 118.649 -7.768 -1.736 1.00 1.00 N ATOM 1459 NH2 ARG A 92 117.517 -7.143 -3.590 1.00 1.00 N ATOM 0 H ARG A 92 117.205 -2.861 2.173 1.00 1.00 H new ATOM 0 HA ARG A 92 116.990 -1.495 -0.308 1.00 1.00 H new ATOM 0 HB2 ARG A 92 116.338 -4.327 0.611 1.00 1.00 H new ATOM 0 HB3 ARG A 92 116.190 -3.816 -1.059 1.00 1.00 H new ATOM 0 HG2 ARG A 92 118.580 -3.148 -1.109 1.00 1.00 H new ATOM 0 HG3 ARG A 92 118.749 -3.519 0.595 1.00 1.00 H new ATOM 0 HD2 ARG A 92 119.605 -5.416 -0.683 1.00 1.00 H new ATOM 0 HD3 ARG A 92 118.124 -5.915 0.111 1.00 1.00 H new ATOM 0 HE ARG A 92 117.476 -4.895 -2.505 1.00 1.00 H new ATOM 0 HH11 ARG A 92 119.062 -7.536 -0.833 1.00 1.00 H new ATOM 0 HH12 ARG A 92 118.715 -8.719 -2.098 1.00 1.00 H new ATOM 0 HH21 ARG A 92 117.046 -6.421 -4.135 1.00 1.00 H new ATOM 0 HH22 ARG A 92 117.583 -8.094 -3.952 1.00 1.00 H new ATOM 1473 N GLN A 93 114.174 -2.312 1.217 1.00 1.00 N ATOM 1474 CA GLN A 93 112.740 -2.054 1.198 1.00 1.00 C ATOM 1475 C GLN A 93 112.475 -0.557 1.234 1.00 1.00 C ATOM 1476 O GLN A 93 111.674 -0.037 0.458 1.00 1.00 O ATOM 1477 CB GLN A 93 112.080 -2.707 2.412 1.00 1.00 C ATOM 1478 CG GLN A 93 112.171 -4.225 2.289 1.00 1.00 C ATOM 1479 CD GLN A 93 111.550 -4.881 3.517 1.00 1.00 C ATOM 1480 OE1 GLN A 93 112.062 -4.732 4.626 1.00 1.00 O ATOM 1481 NE2 GLN A 93 110.467 -5.597 3.384 1.00 1.00 N ATOM 0 H GLN A 93 114.504 -2.840 2.025 1.00 1.00 H new ATOM 0 HA GLN A 93 112.323 -2.473 0.282 1.00 1.00 H new ATOM 0 HB2 GLN A 93 112.571 -2.376 3.327 1.00 1.00 H new ATOM 0 HB3 GLN A 93 111.037 -2.399 2.481 1.00 1.00 H new ATOM 0 HG2 GLN A 93 111.656 -4.558 1.388 1.00 1.00 H new ATOM 0 HG3 GLN A 93 113.213 -4.529 2.191 1.00 1.00 H new ATOM 0 HE21 GLN A 93 110.046 -5.718 2.463 1.00 1.00 H new ATOM 0 HE22 GLN A 93 110.042 -6.035 4.201 1.00 1.00 H new ATOM 1490 N LYS A 94 113.162 0.131 2.133 1.00 1.00 N ATOM 1491 CA LYS A 94 113.004 1.570 2.262 1.00 1.00 C ATOM 1492 C LYS A 94 113.413 2.268 0.968 1.00 1.00 C ATOM 1493 O LYS A 94 112.726 3.176 0.498 1.00 1.00 O ATOM 1494 CB LYS A 94 113.871 2.066 3.422 1.00 1.00 C ATOM 1495 CG LYS A 94 113.629 3.558 3.660 1.00 1.00 C ATOM 1496 CD LYS A 94 114.427 4.022 4.887 1.00 1.00 C ATOM 1497 CE LYS A 94 115.908 4.203 4.526 1.00 1.00 C ATOM 1498 NZ LYS A 94 116.611 4.882 5.650 1.00 1.00 N ATOM 0 H LYS A 94 113.832 -0.283 2.782 1.00 1.00 H new ATOM 0 HA LYS A 94 111.958 1.802 2.461 1.00 1.00 H new ATOM 0 HB2 LYS A 94 113.639 1.503 4.326 1.00 1.00 H new ATOM 0 HB3 LYS A 94 114.924 1.891 3.200 1.00 1.00 H new ATOM 0 HG2 LYS A 94 113.929 4.130 2.782 1.00 1.00 H new ATOM 0 HG3 LYS A 94 112.566 3.744 3.814 1.00 1.00 H new ATOM 0 HD2 LYS A 94 114.020 4.962 5.259 1.00 1.00 H new ATOM 0 HD3 LYS A 94 114.329 3.292 5.690 1.00 1.00 H new ATOM 0 HE2 LYS A 94 116.367 3.234 4.328 1.00 1.00 H new ATOM 0 HE3 LYS A 94 116.002 4.793 3.614 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 117.323 5.537 5.269 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 115.922 5.413 6.220 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 117.080 4.171 6.247 1.00 1.00 H new ATOM 1512 N ASN A 95 114.546 1.846 0.404 1.00 1.00 N ATOM 1513 CA ASN A 95 115.054 2.444 -0.828 1.00 1.00 C ATOM 1514 C ASN A 95 114.054 2.284 -1.969 1.00 1.00 C ATOM 1515 O ASN A 95 113.834 3.222 -2.733 1.00 1.00 O ATOM 1516 CB ASN A 95 116.368 1.765 -1.224 1.00 1.00 C ATOM 1517 CG ASN A 95 117.471 2.100 -0.224 1.00 1.00 C ATOM 1518 OD1 ASN A 95 118.476 1.394 -0.153 1.00 1.00 O ATOM 1519 ND2 ASN A 95 117.343 3.133 0.564 1.00 1.00 N ATOM 0 H ASN A 95 115.126 1.096 0.780 1.00 1.00 H new ATOM 0 HA ASN A 95 115.215 3.507 -0.647 1.00 1.00 H new ATOM 0 HB2 ASN A 95 116.226 0.685 -1.268 1.00 1.00 H new ATOM 0 HB3 ASN A 95 116.664 2.089 -2.222 1.00 1.00 H new ATOM 0 HD21 ASN A 95 118.076 3.354 1.238 1.00 1.00 H new ATOM 0 HD22 ASN A 95 116.510 3.719 0.506 1.00 1.00 H new ATOM 1526 N GLN A 96 113.444 1.109 -2.095 1.00 1.00 N ATOM 1527 CA GLN A 96 112.479 0.889 -3.163 1.00 1.00 C ATOM 1528 C GLN A 96 111.248 1.749 -2.944 1.00 1.00 C ATOM 1529 O GLN A 96 110.676 2.284 -3.894 1.00 1.00 O ATOM 1530 CB GLN A 96 112.075 -0.584 -3.232 1.00 1.00 C ATOM 1531 CG GLN A 96 113.234 -1.405 -3.794 1.00 1.00 C ATOM 1532 CD GLN A 96 112.858 -2.880 -3.826 1.00 1.00 C ATOM 1533 OE1 GLN A 96 111.733 -3.244 -3.479 1.00 1.00 O ATOM 1534 NE2 GLN A 96 113.735 -3.759 -4.227 1.00 1.00 N ATOM 0 H GLN A 96 113.598 0.308 -1.482 1.00 1.00 H new ATOM 0 HA GLN A 96 112.947 1.168 -4.107 1.00 1.00 H new ATOM 0 HB2 GLN A 96 111.807 -0.945 -2.239 1.00 1.00 H new ATOM 0 HB3 GLN A 96 111.193 -0.701 -3.862 1.00 1.00 H new ATOM 0 HG2 GLN A 96 113.480 -1.062 -4.799 1.00 1.00 H new ATOM 0 HG3 GLN A 96 114.124 -1.261 -3.181 1.00 1.00 H new ATOM 0 HE21 GLN A 96 114.666 -3.456 -4.514 1.00 1.00 H new ATOM 0 HE22 GLN A 96 113.490 -4.749 -4.254 1.00 1.00 H new ATOM 1543 N GLU A 97 110.846 1.880 -1.690 1.00 1.00 N ATOM 1544 CA GLU A 97 109.678 2.679 -1.370 1.00 1.00 C ATOM 1545 C GLU A 97 109.911 4.137 -1.743 1.00 1.00 C ATOM 1546 O GLU A 97 109.033 4.802 -2.287 1.00 1.00 O ATOM 1547 CB GLU A 97 109.374 2.571 0.127 1.00 1.00 C ATOM 1548 CG GLU A 97 108.131 3.395 0.473 1.00 1.00 C ATOM 1549 CD GLU A 97 107.794 3.218 1.949 1.00 1.00 C ATOM 1550 OE1 GLU A 97 108.316 2.291 2.547 1.00 1.00 O ATOM 1551 OE2 GLU A 97 107.022 4.011 2.462 1.00 1.00 O ATOM 0 H GLU A 97 111.305 1.449 -0.888 1.00 1.00 H new ATOM 0 HA GLU A 97 108.830 2.303 -1.942 1.00 1.00 H new ATOM 0 HB2 GLU A 97 109.215 1.528 0.399 1.00 1.00 H new ATOM 0 HB3 GLU A 97 110.227 2.925 0.706 1.00 1.00 H new ATOM 0 HG2 GLU A 97 108.308 4.448 0.254 1.00 1.00 H new ATOM 0 HG3 GLU A 97 107.289 3.078 -0.143 1.00 1.00 H new ATOM 1558 N LEU A 98 111.107 4.623 -1.437 1.00 1.00 N ATOM 1559 CA LEU A 98 111.479 6.000 -1.722 1.00 1.00 C ATOM 1560 C LEU A 98 111.540 6.256 -3.231 1.00 1.00 C ATOM 1561 O LEU A 98 111.130 7.314 -3.712 1.00 1.00 O ATOM 1562 CB LEU A 98 112.846 6.262 -1.088 1.00 1.00 C ATOM 1563 CG LEU A 98 113.056 7.755 -0.829 1.00 1.00 C ATOM 1564 CD1 LEU A 98 112.070 8.262 0.227 1.00 1.00 C ATOM 1565 CD2 LEU A 98 114.483 7.951 -0.317 1.00 1.00 C ATOM 0 H LEU A 98 111.841 4.077 -0.987 1.00 1.00 H new ATOM 0 HA LEU A 98 110.729 6.673 -1.307 1.00 1.00 H new ATOM 0 HB2 LEU A 98 112.927 5.712 -0.150 1.00 1.00 H new ATOM 0 HB3 LEU A 98 113.632 5.890 -1.745 1.00 1.00 H new ATOM 0 HG LEU A 98 112.892 8.312 -1.751 1.00 1.00 H new ATOM 0 HD11 LEU A 98 112.235 9.326 0.398 1.00 1.00 H new ATOM 0 HD12 LEU A 98 111.050 8.104 -0.122 1.00 1.00 H new ATOM 0 HD13 LEU A 98 112.223 7.717 1.159 1.00 1.00 H new ATOM 0 HD21 LEU A 98 114.658 9.009 -0.124 1.00 1.00 H new ATOM 0 HD22 LEU A 98 114.619 7.387 0.606 1.00 1.00 H new ATOM 0 HD23 LEU A 98 115.190 7.597 -1.067 1.00 1.00 H new ATOM 1577 N LYS A 99 112.078 5.283 -3.961 1.00 1.00 N ATOM 1578 CA LYS A 99 112.221 5.403 -5.407 1.00 1.00 C ATOM 1579 C LYS A 99 110.851 5.554 -6.031 1.00 1.00 C ATOM 1580 O LYS A 99 110.666 6.319 -6.977 1.00 1.00 O ATOM 1581 CB LYS A 99 112.905 4.148 -5.958 1.00 1.00 C ATOM 1582 CG LYS A 99 113.212 4.319 -7.449 1.00 1.00 C ATOM 1583 CD LYS A 99 113.911 3.054 -7.958 1.00 1.00 C ATOM 1584 CE LYS A 99 114.248 3.194 -9.444 1.00 1.00 C ATOM 1585 NZ LYS A 99 114.908 1.940 -9.910 1.00 1.00 N ATOM 0 H LYS A 99 112.422 4.404 -3.575 1.00 1.00 H new ATOM 0 HA LYS A 99 112.828 6.276 -5.646 1.00 1.00 H new ATOM 0 HB2 LYS A 99 113.828 3.958 -5.410 1.00 1.00 H new ATOM 0 HB3 LYS A 99 112.262 3.281 -5.810 1.00 1.00 H new ATOM 0 HG2 LYS A 99 112.291 4.492 -8.006 1.00 1.00 H new ATOM 0 HG3 LYS A 99 113.848 5.190 -7.606 1.00 1.00 H new ATOM 0 HD2 LYS A 99 114.823 2.879 -7.386 1.00 1.00 H new ATOM 0 HD3 LYS A 99 113.267 2.188 -7.804 1.00 1.00 H new ATOM 0 HE2 LYS A 99 113.342 3.379 -10.020 1.00 1.00 H new ATOM 0 HE3 LYS A 99 114.907 4.048 -9.602 1.00 1.00 H new ATOM 0 HZ1 LYS A 99 115.141 2.025 -10.920 1.00 1.00 H new ATOM 0 HZ2 LYS A 99 115.780 1.784 -9.365 1.00 1.00 H new ATOM 0 HZ3 LYS A 99 114.263 1.136 -9.770 1.00 1.00 H new ATOM 1599 N ALA A 100 109.890 4.825 -5.493 1.00 1.00 N ATOM 1600 CA ALA A 100 108.538 4.893 -6.006 1.00 1.00 C ATOM 1601 C ALA A 100 107.826 6.141 -5.508 1.00 1.00 C ATOM 1602 O ALA A 100 107.019 6.738 -6.217 1.00 1.00 O ATOM 1603 CB ALA A 100 107.759 3.672 -5.561 1.00 1.00 C ATOM 0 H ALA A 100 110.020 4.186 -4.709 1.00 1.00 H new ATOM 0 HA ALA A 100 108.592 4.929 -7.094 1.00 1.00 H new ATOM 0 HB1 ALA A 100 106.742 3.728 -5.949 1.00 1.00 H new ATOM 0 HB2 ALA A 100 108.244 2.773 -5.941 1.00 1.00 H new ATOM 0 HB3 ALA A 100 107.730 3.636 -4.472 1.00 1.00 H new ATOM 1609 N GLN A 101 108.101 6.500 -4.260 1.00 1.00 N ATOM 1610 CA GLN A 101 107.455 7.630 -3.635 1.00 1.00 C ATOM 1611 C GLN A 101 107.664 8.919 -4.408 1.00 1.00 C ATOM 1612 O GLN A 101 106.718 9.675 -4.626 1.00 1.00 O ATOM 1613 CB GLN A 101 107.991 7.777 -2.213 1.00 1.00 C ATOM 1614 CG GLN A 101 107.193 8.843 -1.483 1.00 1.00 C ATOM 1615 CD GLN A 101 107.633 8.920 -0.026 1.00 1.00 C ATOM 1616 OE1 GLN A 101 108.245 7.984 0.489 1.00 1.00 O ATOM 1617 NE2 GLN A 101 107.358 9.986 0.672 1.00 1.00 N ATOM 0 H GLN A 101 108.773 6.016 -3.664 1.00 1.00 H new ATOM 0 HA GLN A 101 106.381 7.443 -3.623 1.00 1.00 H new ATOM 0 HB2 GLN A 101 107.918 6.826 -1.685 1.00 1.00 H new ATOM 0 HB3 GLN A 101 109.046 8.049 -2.236 1.00 1.00 H new ATOM 0 HG2 GLN A 101 107.336 9.810 -1.966 1.00 1.00 H new ATOM 0 HG3 GLN A 101 106.129 8.613 -1.538 1.00 1.00 H new ATOM 0 HE21 GLN A 101 106.851 10.760 0.243 1.00 1.00 H new ATOM 0 HE22 GLN A 101 107.650 10.046 1.647 1.00 1.00 H new ATOM 1626 N TYR A 102 108.901 9.182 -4.799 1.00 1.00 N ATOM 1627 CA TYR A 102 109.189 10.409 -5.516 1.00 1.00 C ATOM 1628 C TYR A 102 109.132 10.215 -7.018 1.00 1.00 C ATOM 1629 O TYR A 102 109.566 11.073 -7.787 1.00 1.00 O ATOM 1630 CB TYR A 102 110.556 10.988 -5.109 1.00 1.00 C ATOM 1631 CG TYR A 102 110.449 11.651 -3.745 1.00 1.00 C ATOM 1632 CD1 TYR A 102 109.530 12.694 -3.527 1.00 1.00 C ATOM 1633 CD2 TYR A 102 111.244 11.196 -2.680 1.00 1.00 C ATOM 1634 CE1 TYR A 102 109.413 13.274 -2.262 1.00 1.00 C ATOM 1635 CE2 TYR A 102 111.114 11.773 -1.413 1.00 1.00 C ATOM 1636 CZ TYR A 102 110.199 12.810 -1.203 1.00 1.00 C ATOM 1637 OH TYR A 102 110.070 13.372 0.050 1.00 1.00 O ATOM 0 H TYR A 102 109.705 8.576 -4.636 1.00 1.00 H new ATOM 0 HA TYR A 102 108.412 11.122 -5.239 1.00 1.00 H new ATOM 0 HB2 TYR A 102 111.303 10.195 -5.080 1.00 1.00 H new ATOM 0 HB3 TYR A 102 110.889 11.713 -5.851 1.00 1.00 H new ATOM 0 HD1 TYR A 102 108.913 13.047 -4.340 1.00 1.00 H new ATOM 0 HD2 TYR A 102 111.956 10.400 -2.840 1.00 1.00 H new ATOM 0 HE1 TYR A 102 108.715 14.082 -2.102 1.00 1.00 H new ATOM 0 HE2 TYR A 102 111.722 11.417 -0.594 1.00 1.00 H new ATOM 0 HH TYR A 102 110.276 12.700 0.733 1.00 1.00 H new ATOM 1647 N LYS A 103 108.547 9.088 -7.429 1.00 1.00 N ATOM 1648 CA LYS A 103 108.379 8.790 -8.841 1.00 1.00 C ATOM 1649 C LYS A 103 109.702 8.909 -9.566 1.00 1.00 C ATOM 1650 O LYS A 103 109.800 9.583 -10.593 1.00 1.00 O ATOM 1651 CB LYS A 103 107.364 9.756 -9.456 1.00 1.00 C ATOM 1652 CG LYS A 103 105.979 9.500 -8.854 1.00 1.00 C ATOM 1653 CD LYS A 103 104.978 10.500 -9.438 1.00 1.00 C ATOM 1654 CE LYS A 103 103.600 10.271 -8.816 1.00 1.00 C ATOM 1655 NZ LYS A 103 103.033 8.990 -9.323 1.00 1.00 N ATOM 0 H LYS A 103 108.184 8.372 -6.800 1.00 1.00 H new ATOM 0 HA LYS A 103 108.014 7.768 -8.943 1.00 1.00 H new ATOM 0 HB2 LYS A 103 107.668 10.786 -9.269 1.00 1.00 H new ATOM 0 HB3 LYS A 103 107.331 9.625 -10.538 1.00 1.00 H new ATOM 0 HG2 LYS A 103 105.659 8.481 -9.070 1.00 1.00 H new ATOM 0 HG3 LYS A 103 106.018 9.599 -7.769 1.00 1.00 H new ATOM 0 HD2 LYS A 103 105.311 11.519 -9.243 1.00 1.00 H new ATOM 0 HD3 LYS A 103 104.923 10.385 -10.520 1.00 1.00 H new ATOM 0 HE2 LYS A 103 103.680 10.241 -7.729 1.00 1.00 H new ATOM 0 HE3 LYS A 103 102.935 11.099 -9.064 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 102.023 8.938 -9.082 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 103.145 8.945 -10.356 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 103.535 8.191 -8.885 1.00 1.00 H new ATOM 1669 N VAL A 104 110.723 8.259 -9.032 1.00 1.00 N ATOM 1670 CA VAL A 104 112.033 8.312 -9.643 1.00 1.00 C ATOM 1671 C VAL A 104 112.169 7.192 -10.668 1.00 1.00 C ATOM 1672 O VAL A 104 111.962 6.020 -10.347 1.00 1.00 O ATOM 1673 CB VAL A 104 113.112 8.195 -8.570 1.00 1.00 C ATOM 1674 CG1 VAL A 104 114.484 8.192 -9.233 1.00 1.00 C ATOM 1675 CG2 VAL A 104 113.018 9.391 -7.619 1.00 1.00 C ATOM 0 H VAL A 104 110.668 7.694 -8.184 1.00 1.00 H new ATOM 0 HA VAL A 104 112.156 9.267 -10.153 1.00 1.00 H new ATOM 0 HB VAL A 104 112.969 7.270 -8.011 1.00 1.00 H new ATOM 0 HG11 VAL A 104 115.257 8.109 -8.469 1.00 1.00 H new ATOM 0 HG12 VAL A 104 114.556 7.346 -9.916 1.00 1.00 H new ATOM 0 HG13 VAL A 104 114.622 9.120 -9.789 1.00 1.00 H new ATOM 0 HG21 VAL A 104 113.788 9.308 -6.852 1.00 1.00 H new ATOM 0 HG22 VAL A 104 113.163 10.314 -8.180 1.00 1.00 H new ATOM 0 HG23 VAL A 104 112.036 9.404 -7.146 1.00 1.00 H new ATOM 1685 N THR A 105 112.493 7.560 -11.906 1.00 1.00 N ATOM 1686 CA THR A 105 112.628 6.591 -12.982 1.00 1.00 C ATOM 1687 C THR A 105 114.029 6.605 -13.576 1.00 1.00 C ATOM 1688 O THR A 105 114.658 5.560 -13.746 1.00 1.00 O ATOM 1689 CB THR A 105 111.612 6.905 -14.082 1.00 1.00 C ATOM 1690 OG1 THR A 105 111.419 8.311 -14.159 1.00 1.00 O ATOM 1691 CG2 THR A 105 110.282 6.218 -13.767 1.00 1.00 C ATOM 0 H THR A 105 112.666 8.526 -12.185 1.00 1.00 H new ATOM 0 HA THR A 105 112.444 5.600 -12.566 1.00 1.00 H new ATOM 0 HB THR A 105 111.986 6.537 -15.037 1.00 1.00 H new ATOM 0 HG1 THR A 105 110.770 8.514 -14.864 1.00 1.00 H new ATOM 0 HG21 THR A 105 109.561 6.444 -14.552 1.00 1.00 H new ATOM 0 HG22 THR A 105 110.433 5.140 -13.712 1.00 1.00 H new ATOM 0 HG23 THR A 105 109.903 6.580 -12.811 1.00 1.00 H new ATOM 1699 N GLY A 106 114.495 7.799 -13.919 1.00 1.00 N ATOM 1700 CA GLY A 106 115.808 7.951 -14.529 1.00 1.00 C ATOM 1701 C GLY A 106 116.870 8.359 -13.517 1.00 1.00 C ATOM 1702 O GLY A 106 116.598 9.083 -12.558 1.00 1.00 O ATOM 0 H GLY A 106 113.985 8.672 -13.786 1.00 1.00 H new ATOM 0 HA2 GLY A 106 116.099 7.012 -14.999 1.00 1.00 H new ATOM 0 HA3 GLY A 106 115.755 8.700 -15.319 1.00 1.00 H new ATOM 1706 N PHE A 107 118.088 7.897 -13.763 1.00 1.00 N ATOM 1707 CA PHE A 107 119.230 8.208 -12.908 1.00 1.00 C ATOM 1708 C PHE A 107 120.367 8.773 -13.775 1.00 1.00 C ATOM 1709 O PHE A 107 120.482 8.412 -14.945 1.00 1.00 O ATOM 1710 CB PHE A 107 119.707 6.932 -12.207 1.00 1.00 C ATOM 1711 CG PHE A 107 118.884 5.757 -12.687 1.00 1.00 C ATOM 1712 CD1 PHE A 107 119.166 5.163 -13.923 1.00 1.00 C ATOM 1713 CD2 PHE A 107 117.837 5.266 -11.897 1.00 1.00 C ATOM 1714 CE1 PHE A 107 118.399 4.077 -14.369 1.00 1.00 C ATOM 1715 CE2 PHE A 107 117.071 4.182 -12.343 1.00 1.00 C ATOM 1716 CZ PHE A 107 117.352 3.588 -13.579 1.00 1.00 C ATOM 0 H PHE A 107 118.314 7.298 -14.557 1.00 1.00 H new ATOM 0 HA PHE A 107 118.939 8.943 -12.158 1.00 1.00 H new ATOM 0 HB2 PHE A 107 120.763 6.761 -12.418 1.00 1.00 H new ATOM 0 HB3 PHE A 107 119.611 7.040 -11.127 1.00 1.00 H new ATOM 0 HD1 PHE A 107 119.974 5.541 -14.532 1.00 1.00 H new ATOM 0 HD2 PHE A 107 117.620 5.724 -10.943 1.00 1.00 H new ATOM 0 HE1 PHE A 107 118.616 3.618 -15.322 1.00 1.00 H new ATOM 0 HE2 PHE A 107 116.263 3.804 -11.733 1.00 1.00 H new ATOM 0 HZ PHE A 107 116.761 2.752 -13.923 1.00 1.00 H new ATOM 1726 N PRO A 108 121.212 9.632 -13.247 1.00 1.00 N ATOM 1727 CA PRO A 108 121.142 10.124 -11.839 1.00 1.00 C ATOM 1728 C PRO A 108 120.069 11.182 -11.650 1.00 1.00 C ATOM 1729 O PRO A 108 119.856 12.021 -12.528 1.00 1.00 O ATOM 1730 CB PRO A 108 122.525 10.727 -11.613 1.00 1.00 C ATOM 1731 CG PRO A 108 122.936 11.228 -12.954 1.00 1.00 C ATOM 1732 CD PRO A 108 122.351 10.238 -13.965 1.00 1.00 C ATOM 0 HA PRO A 108 120.884 9.329 -11.140 1.00 1.00 H new ATOM 0 HB2 PRO A 108 122.492 11.534 -10.881 1.00 1.00 H new ATOM 0 HB3 PRO A 108 123.226 9.983 -11.235 1.00 1.00 H new ATOM 0 HG2 PRO A 108 122.557 12.235 -13.128 1.00 1.00 H new ATOM 0 HG3 PRO A 108 124.022 11.277 -13.038 1.00 1.00 H new ATOM 0 HD2 PRO A 108 122.027 10.741 -14.876 1.00 1.00 H new ATOM 0 HD3 PRO A 108 123.084 9.487 -14.259 1.00 1.00 H new ATOM 1740 N GLU A 109 119.401 11.152 -10.506 1.00 1.00 N ATOM 1741 CA GLU A 109 118.365 12.129 -10.226 1.00 1.00 C ATOM 1742 C GLU A 109 118.473 12.597 -8.783 1.00 1.00 C ATOM 1743 O GLU A 109 118.511 11.781 -7.860 1.00 1.00 O ATOM 1744 CB GLU A 109 116.987 11.521 -10.485 1.00 1.00 C ATOM 1745 CG GLU A 109 115.913 12.583 -10.258 1.00 1.00 C ATOM 1746 CD GLU A 109 114.545 12.020 -10.617 1.00 1.00 C ATOM 1747 OE1 GLU A 109 114.459 10.823 -10.834 1.00 1.00 O ATOM 1748 OE2 GLU A 109 113.602 12.791 -10.669 1.00 1.00 O ATOM 0 H GLU A 109 119.557 10.469 -9.765 1.00 1.00 H new ATOM 0 HA GLU A 109 118.496 12.987 -10.885 1.00 1.00 H new ATOM 0 HB2 GLU A 109 116.930 11.143 -11.506 1.00 1.00 H new ATOM 0 HB3 GLU A 109 116.821 10.673 -9.821 1.00 1.00 H new ATOM 0 HG2 GLU A 109 115.922 12.905 -9.217 1.00 1.00 H new ATOM 0 HG3 GLU A 109 116.125 13.463 -10.865 1.00 1.00 H new ATOM 1755 N LEU A 110 118.513 13.908 -8.586 1.00 1.00 N ATOM 1756 CA LEU A 110 118.602 14.485 -7.253 1.00 1.00 C ATOM 1757 C LEU A 110 117.316 15.252 -6.992 1.00 1.00 C ATOM 1758 O LEU A 110 116.957 16.152 -7.750 1.00 1.00 O ATOM 1759 CB LEU A 110 119.815 15.432 -7.191 1.00 1.00 C ATOM 1760 CG LEU A 110 120.608 15.266 -5.881 1.00 1.00 C ATOM 1761 CD1 LEU A 110 121.995 15.887 -6.059 1.00 1.00 C ATOM 1762 CD2 LEU A 110 119.908 15.979 -4.725 1.00 1.00 C ATOM 0 H LEU A 110 118.485 14.596 -9.339 1.00 1.00 H new ATOM 0 HA LEU A 110 118.730 13.709 -6.498 1.00 1.00 H new ATOM 0 HB2 LEU A 110 120.471 15.237 -8.039 1.00 1.00 H new ATOM 0 HB3 LEU A 110 119.475 16.464 -7.281 1.00 1.00 H new ATOM 0 HG LEU A 110 120.680 14.203 -5.653 1.00 1.00 H new ATOM 0 HD11 LEU A 110 122.565 15.775 -5.137 1.00 1.00 H new ATOM 0 HD12 LEU A 110 122.518 15.383 -6.872 1.00 1.00 H new ATOM 0 HD13 LEU A 110 121.892 16.946 -6.295 1.00 1.00 H new ATOM 0 HD21 LEU A 110 120.488 15.847 -3.811 1.00 1.00 H new ATOM 0 HD22 LEU A 110 119.824 17.042 -4.951 1.00 1.00 H new ATOM 0 HD23 LEU A 110 118.912 15.557 -4.587 1.00 1.00 H new ATOM 1774 N VAL A 111 116.616 14.866 -5.936 1.00 1.00 N ATOM 1775 CA VAL A 111 115.350 15.500 -5.600 1.00 1.00 C ATOM 1776 C VAL A 111 115.432 16.214 -4.265 1.00 1.00 C ATOM 1777 O VAL A 111 115.895 15.643 -3.279 1.00 1.00 O ATOM 1778 CB VAL A 111 114.244 14.450 -5.563 1.00 1.00 C ATOM 1779 CG1 VAL A 111 113.879 14.052 -6.992 1.00 1.00 C ATOM 1780 CG2 VAL A 111 114.751 13.235 -4.814 1.00 1.00 C ATOM 0 H VAL A 111 116.901 14.121 -5.300 1.00 1.00 H new ATOM 0 HA VAL A 111 115.124 16.242 -6.366 1.00 1.00 H new ATOM 0 HB VAL A 111 113.363 14.852 -5.063 1.00 1.00 H new ATOM 0 HG11 VAL A 111 113.089 13.302 -6.970 1.00 1.00 H new ATOM 0 HG12 VAL A 111 113.531 14.930 -7.537 1.00 1.00 H new ATOM 0 HG13 VAL A 111 114.757 13.640 -7.490 1.00 1.00 H new ATOM 0 HG21 VAL A 111 113.969 12.476 -4.780 1.00 1.00 H new ATOM 0 HG22 VAL A 111 115.626 12.832 -5.324 1.00 1.00 H new ATOM 0 HG23 VAL A 111 115.023 13.521 -3.798 1.00 1.00 H new ATOM 1790 N PHE A 112 114.990 17.460 -4.232 1.00 1.00 N ATOM 1791 CA PHE A 112 115.033 18.239 -3.006 1.00 1.00 C ATOM 1792 C PHE A 112 113.669 18.258 -2.334 1.00 1.00 C ATOM 1793 O PHE A 112 112.661 18.592 -2.957 1.00 1.00 O ATOM 1794 CB PHE A 112 115.505 19.657 -3.322 1.00 1.00 C ATOM 1795 CG PHE A 112 116.882 19.568 -3.933 1.00 1.00 C ATOM 1796 CD1 PHE A 112 118.007 19.504 -3.106 1.00 1.00 C ATOM 1797 CD2 PHE A 112 117.031 19.529 -5.325 1.00 1.00 C ATOM 1798 CE1 PHE A 112 119.285 19.402 -3.669 1.00 1.00 C ATOM 1799 CE2 PHE A 112 118.309 19.428 -5.888 1.00 1.00 C ATOM 1800 CZ PHE A 112 119.435 19.364 -5.060 1.00 1.00 C ATOM 0 H PHE A 112 114.599 17.952 -5.036 1.00 1.00 H new ATOM 0 HA PHE A 112 115.736 17.778 -2.313 1.00 1.00 H new ATOM 0 HB2 PHE A 112 114.814 20.144 -4.010 1.00 1.00 H new ATOM 0 HB3 PHE A 112 115.529 20.261 -2.415 1.00 1.00 H new ATOM 0 HD1 PHE A 112 117.891 19.533 -2.033 1.00 1.00 H new ATOM 0 HD2 PHE A 112 116.161 19.577 -5.963 1.00 1.00 H new ATOM 0 HE1 PHE A 112 120.154 19.353 -3.030 1.00 1.00 H new ATOM 0 HE2 PHE A 112 118.426 19.399 -6.961 1.00 1.00 H new ATOM 0 HZ PHE A 112 120.421 19.285 -5.495 1.00 1.00 H new ATOM 1810 N ILE A 113 113.655 17.875 -1.057 1.00 1.00 N ATOM 1811 CA ILE A 113 112.427 17.832 -0.272 1.00 1.00 C ATOM 1812 C ILE A 113 112.624 18.513 1.070 1.00 1.00 C ATOM 1813 O ILE A 113 113.736 18.579 1.593 1.00 1.00 O ATOM 1814 CB ILE A 113 111.979 16.384 -0.064 1.00 1.00 C ATOM 1815 CG1 ILE A 113 113.077 15.604 0.654 1.00 1.00 C ATOM 1816 CG2 ILE A 113 111.696 15.731 -1.417 1.00 1.00 C ATOM 1817 CD1 ILE A 113 112.584 14.193 0.973 1.00 1.00 C ATOM 0 H ILE A 113 114.489 17.589 -0.544 1.00 1.00 H new ATOM 0 HA ILE A 113 111.652 18.366 -0.822 1.00 1.00 H new ATOM 0 HB ILE A 113 111.072 16.375 0.540 1.00 1.00 H new ATOM 0 HG12 ILE A 113 113.969 15.555 0.030 1.00 1.00 H new ATOM 0 HG13 ILE A 113 113.359 16.117 1.573 1.00 1.00 H new ATOM 0 HG21 ILE A 113 111.377 14.700 -1.264 1.00 1.00 H new ATOM 0 HG22 ILE A 113 110.907 16.282 -1.929 1.00 1.00 H new ATOM 0 HG23 ILE A 113 112.601 15.745 -2.024 1.00 1.00 H new ATOM 0 HD11 ILE A 113 113.371 13.640 1.485 1.00 1.00 H new ATOM 0 HD12 ILE A 113 111.705 14.251 1.614 1.00 1.00 H new ATOM 0 HD13 ILE A 113 112.324 13.680 0.047 1.00 1.00 H new ATOM 1829 N ASP A 114 111.520 18.966 1.645 1.00 1.00 N ATOM 1830 CA ASP A 114 111.560 19.583 2.953 1.00 1.00 C ATOM 1831 C ASP A 114 111.296 18.497 3.979 1.00 1.00 C ATOM 1832 O ASP A 114 111.203 17.316 3.638 1.00 1.00 O ATOM 1833 CB ASP A 114 110.517 20.698 3.074 1.00 1.00 C ATOM 1834 CG ASP A 114 109.111 20.123 2.978 1.00 1.00 C ATOM 1835 OD1 ASP A 114 108.995 18.938 2.726 1.00 1.00 O ATOM 1836 OD2 ASP A 114 108.171 20.879 3.163 1.00 1.00 O ATOM 0 H ASP A 114 110.592 18.916 1.225 1.00 1.00 H new ATOM 0 HA ASP A 114 112.535 20.041 3.117 1.00 1.00 H new ATOM 0 HB2 ASP A 114 110.640 21.218 4.024 1.00 1.00 H new ATOM 0 HB3 ASP A 114 110.670 21.435 2.285 1.00 1.00 H new ATOM 1841 N ALA A 115 111.204 18.881 5.232 1.00 1.00 N ATOM 1842 CA ALA A 115 110.988 17.933 6.315 1.00 1.00 C ATOM 1843 C ALA A 115 109.575 17.349 6.300 1.00 1.00 C ATOM 1844 O ALA A 115 109.314 16.348 6.967 1.00 1.00 O ATOM 1845 CB ALA A 115 111.225 18.643 7.646 1.00 1.00 C ATOM 0 H ALA A 115 111.276 19.853 5.534 1.00 1.00 H new ATOM 0 HA ALA A 115 111.686 17.107 6.183 1.00 1.00 H new ATOM 0 HB1 ALA A 115 111.066 17.942 8.466 1.00 1.00 H new ATOM 0 HB2 ALA A 115 112.248 19.017 7.682 1.00 1.00 H new ATOM 0 HB3 ALA A 115 110.530 19.477 7.742 1.00 1.00 H new ATOM 1851 N GLU A 116 108.667 17.947 5.533 1.00 1.00 N ATOM 1852 CA GLU A 116 107.301 17.441 5.442 1.00 1.00 C ATOM 1853 C GLU A 116 107.172 16.588 4.183 1.00 1.00 C ATOM 1854 O GLU A 116 106.118 16.008 3.920 1.00 1.00 O ATOM 1855 CB GLU A 116 106.309 18.608 5.389 1.00 1.00 C ATOM 1856 CG GLU A 116 106.386 19.406 6.694 1.00 1.00 C ATOM 1857 CD GLU A 116 105.922 18.548 7.867 1.00 1.00 C ATOM 1858 OE1 GLU A 116 105.235 17.569 7.624 1.00 1.00 O ATOM 1859 OE2 GLU A 116 106.264 18.880 8.991 1.00 1.00 O ATOM 0 H GLU A 116 108.851 18.777 4.969 1.00 1.00 H new ATOM 0 HA GLU A 116 107.076 16.836 6.320 1.00 1.00 H new ATOM 0 HB2 GLU A 116 106.537 19.254 4.541 1.00 1.00 H new ATOM 0 HB3 GLU A 116 105.297 18.232 5.240 1.00 1.00 H new ATOM 0 HG2 GLU A 116 107.409 19.742 6.863 1.00 1.00 H new ATOM 0 HG3 GLU A 116 105.765 20.299 6.620 1.00 1.00 H new ATOM 1866 N GLY A 117 108.260 16.491 3.428 1.00 1.00 N ATOM 1867 CA GLY A 117 108.262 15.674 2.223 1.00 1.00 C ATOM 1868 C GLY A 117 107.783 16.439 0.995 1.00 1.00 C ATOM 1869 O GLY A 117 107.506 15.830 -0.038 1.00 1.00 O ATOM 0 H GLY A 117 109.142 16.963 3.626 1.00 1.00 H new ATOM 0 HA2 GLY A 117 109.270 15.301 2.043 1.00 1.00 H new ATOM 0 HA3 GLY A 117 107.623 14.805 2.377 1.00 1.00 H new ATOM 1873 N LYS A 118 107.705 17.765 1.077 1.00 1.00 N ATOM 1874 CA LYS A 118 107.283 18.535 -0.086 1.00 1.00 C ATOM 1875 C LYS A 118 108.469 18.762 -1.001 1.00 1.00 C ATOM 1876 O LYS A 118 109.560 19.063 -0.535 1.00 1.00 O ATOM 1877 CB LYS A 118 106.669 19.878 0.308 1.00 1.00 C ATOM 1878 CG LYS A 118 105.279 19.645 0.892 1.00 1.00 C ATOM 1879 CD LYS A 118 104.659 20.993 1.279 1.00 1.00 C ATOM 1880 CE LYS A 118 103.323 20.767 1.991 1.00 1.00 C ATOM 1881 NZ LYS A 118 102.363 20.110 1.060 1.00 1.00 N ATOM 0 H LYS A 118 107.921 18.313 1.909 1.00 1.00 H new ATOM 0 HA LYS A 118 106.514 17.962 -0.604 1.00 1.00 H new ATOM 0 HB2 LYS A 118 107.303 20.381 1.038 1.00 1.00 H new ATOM 0 HB3 LYS A 118 106.606 20.531 -0.562 1.00 1.00 H new ATOM 0 HG2 LYS A 118 104.647 19.137 0.164 1.00 1.00 H new ATOM 0 HG3 LYS A 118 105.343 18.997 1.766 1.00 1.00 H new ATOM 0 HD2 LYS A 118 105.339 21.543 1.930 1.00 1.00 H new ATOM 0 HD3 LYS A 118 104.508 21.603 0.388 1.00 1.00 H new ATOM 0 HE2 LYS A 118 103.471 20.146 2.874 1.00 1.00 H new ATOM 0 HE3 LYS A 118 102.918 21.719 2.335 1.00 1.00 H new ATOM 0 HZ1 LYS A 118 101.402 20.171 1.453 1.00 1.00 H new ATOM 0 HZ2 LYS A 118 102.391 20.589 0.137 1.00 1.00 H new ATOM 0 HZ3 LYS A 118 102.625 19.111 0.939 1.00 1.00 H new ATOM 1895 N GLN A 119 108.252 18.605 -2.296 1.00 1.00 N ATOM 1896 CA GLN A 119 109.311 18.771 -3.278 1.00 1.00 C ATOM 1897 C GLN A 119 109.570 20.244 -3.581 1.00 1.00 C ATOM 1898 O GLN A 119 108.660 20.973 -3.976 1.00 1.00 O ATOM 1899 CB GLN A 119 108.913 18.006 -4.546 1.00 1.00 C ATOM 1900 CG GLN A 119 109.479 18.689 -5.786 1.00 1.00 C ATOM 1901 CD GLN A 119 109.334 17.766 -6.993 1.00 1.00 C ATOM 1902 OE1 GLN A 119 109.197 16.552 -6.833 1.00 1.00 O ATOM 1903 NE2 GLN A 119 109.359 18.268 -8.196 1.00 1.00 N ATOM 0 H GLN A 119 107.345 18.361 -2.694 1.00 1.00 H new ATOM 0 HA GLN A 119 110.243 18.370 -2.879 1.00 1.00 H new ATOM 0 HB2 GLN A 119 109.280 16.981 -4.489 1.00 1.00 H new ATOM 0 HB3 GLN A 119 107.827 17.952 -4.618 1.00 1.00 H new ATOM 0 HG2 GLN A 119 108.954 19.627 -5.968 1.00 1.00 H new ATOM 0 HG3 GLN A 119 110.529 18.937 -5.629 1.00 1.00 H new ATOM 0 HE21 GLN A 119 109.472 19.273 -8.327 1.00 1.00 H new ATOM 0 HE22 GLN A 119 109.265 17.656 -9.006 1.00 1.00 H new ATOM 1912 N LEU A 120 110.822 20.672 -3.405 1.00 1.00 N ATOM 1913 CA LEU A 120 111.180 22.058 -3.677 1.00 1.00 C ATOM 1914 C LEU A 120 111.789 22.189 -5.066 1.00 1.00 C ATOM 1915 O LEU A 120 111.640 23.223 -5.716 1.00 1.00 O ATOM 1916 CB LEU A 120 112.191 22.584 -2.645 1.00 1.00 C ATOM 1917 CG LEU A 120 111.657 22.348 -1.230 1.00 1.00 C ATOM 1918 CD1 LEU A 120 112.121 20.995 -0.708 1.00 1.00 C ATOM 1919 CD2 LEU A 120 112.169 23.433 -0.287 1.00 1.00 C ATOM 0 H LEU A 120 111.591 20.086 -3.080 1.00 1.00 H new ATOM 0 HA LEU A 120 110.265 22.647 -3.616 1.00 1.00 H new ATOM 0 HB2 LEU A 120 113.149 22.080 -2.771 1.00 1.00 H new ATOM 0 HB3 LEU A 120 112.367 23.648 -2.804 1.00 1.00 H new ATOM 0 HG LEU A 120 110.568 22.374 -1.270 1.00 1.00 H new ATOM 0 HD11 LEU A 120 111.734 20.841 0.299 1.00 1.00 H new ATOM 0 HD12 LEU A 120 111.752 20.206 -1.363 1.00 1.00 H new ATOM 0 HD13 LEU A 120 113.210 20.968 -0.686 1.00 1.00 H new ATOM 0 HD21 LEU A 120 111.783 23.255 0.717 1.00 1.00 H new ATOM 0 HD22 LEU A 120 113.259 23.412 -0.265 1.00 1.00 H new ATOM 0 HD23 LEU A 120 111.832 24.408 -0.638 1.00 1.00 H new ATOM 1931 N ALA A 121 112.461 21.128 -5.525 1.00 1.00 N ATOM 1932 CA ALA A 121 113.074 21.131 -6.850 1.00 1.00 C ATOM 1933 C ALA A 121 113.718 19.781 -7.159 1.00 1.00 C ATOM 1934 O ALA A 121 113.916 18.958 -6.267 1.00 1.00 O ATOM 1935 CB ALA A 121 114.148 22.215 -6.946 1.00 1.00 C ATOM 0 H ALA A 121 112.592 20.263 -5.000 1.00 1.00 H new ATOM 0 HA ALA A 121 112.282 21.330 -7.572 1.00 1.00 H new ATOM 0 HB1 ALA A 121 114.592 22.200 -7.941 1.00 1.00 H new ATOM 0 HB2 ALA A 121 113.697 23.191 -6.764 1.00 1.00 H new ATOM 0 HB3 ALA A 121 114.921 22.028 -6.201 1.00 1.00 H new ATOM 1941 N ARG A 122 114.053 19.568 -8.425 1.00 1.00 N ATOM 1942 CA ARG A 122 114.690 18.318 -8.831 1.00 1.00 C ATOM 1943 C ARG A 122 115.622 18.561 -10.008 1.00 1.00 C ATOM 1944 O ARG A 122 115.317 19.351 -10.902 1.00 1.00 O ATOM 1945 CB ARG A 122 113.628 17.280 -9.212 1.00 1.00 C ATOM 1946 CG ARG A 122 112.837 17.766 -10.431 1.00 1.00 C ATOM 1947 CD ARG A 122 111.744 16.750 -10.772 1.00 1.00 C ATOM 1948 NE ARG A 122 111.030 17.185 -11.968 1.00 1.00 N ATOM 1949 CZ ARG A 122 109.868 16.648 -12.324 1.00 1.00 C ATOM 1950 NH1 ARG A 122 109.351 15.675 -11.625 1.00 1.00 N ATOM 1951 NH2 ARG A 122 109.244 17.094 -13.380 1.00 1.00 N ATOM 0 H ARG A 122 113.898 20.234 -9.182 1.00 1.00 H new ATOM 0 HA ARG A 122 115.272 17.936 -7.992 1.00 1.00 H new ATOM 0 HB2 ARG A 122 114.104 16.325 -9.434 1.00 1.00 H new ATOM 0 HB3 ARG A 122 112.953 17.113 -8.373 1.00 1.00 H new ATOM 0 HG2 ARG A 122 112.391 18.739 -10.224 1.00 1.00 H new ATOM 0 HG3 ARG A 122 113.505 17.896 -11.282 1.00 1.00 H new ATOM 0 HD2 ARG A 122 112.185 15.767 -10.937 1.00 1.00 H new ATOM 0 HD3 ARG A 122 111.050 16.652 -9.937 1.00 1.00 H new ATOM 0 HE ARG A 122 111.434 17.921 -12.547 1.00 1.00 H new ATOM 0 HH11 ARG A 122 109.839 15.323 -10.801 1.00 1.00 H new ATOM 0 HH12 ARG A 122 108.459 15.266 -11.902 1.00 1.00 H new ATOM 0 HH21 ARG A 122 109.649 17.852 -13.929 1.00 1.00 H new ATOM 0 HH22 ARG A 122 108.352 16.684 -13.656 1.00 1.00 H new ATOM 1965 N MET A 123 116.749 17.855 -10.018 1.00 1.00 N ATOM 1966 CA MET A 123 117.689 17.987 -11.112 1.00 1.00 C ATOM 1967 C MET A 123 118.371 16.660 -11.402 1.00 1.00 C ATOM 1968 O MET A 123 118.420 15.767 -10.555 1.00 1.00 O ATOM 1969 CB MET A 123 118.773 19.014 -10.790 1.00 1.00 C ATOM 1970 CG MET A 123 118.147 20.366 -10.444 1.00 1.00 C ATOM 1971 SD MET A 123 119.442 21.630 -10.414 1.00 1.00 S ATOM 1972 CE MET A 123 120.052 21.314 -8.740 1.00 1.00 C ATOM 0 H MET A 123 117.026 17.197 -9.290 1.00 1.00 H new ATOM 0 HA MET A 123 117.118 18.314 -11.981 1.00 1.00 H new ATOM 0 HB2 MET A 123 119.378 18.663 -9.954 1.00 1.00 H new ATOM 0 HB3 MET A 123 119.442 19.125 -11.643 1.00 1.00 H new ATOM 0 HG2 MET A 123 117.385 20.626 -11.179 1.00 1.00 H new ATOM 0 HG3 MET A 123 117.651 20.313 -9.475 1.00 1.00 H new ATOM 0 HE1 MET A 123 121.104 21.592 -8.678 1.00 1.00 H new ATOM 0 HE2 MET A 123 119.478 21.904 -8.026 1.00 1.00 H new ATOM 0 HE3 MET A 123 119.942 20.255 -8.507 1.00 1.00 H new ATOM 1982 N GLY A 124 118.906 16.558 -12.603 1.00 1.00 N ATOM 1983 CA GLY A 124 119.607 15.356 -13.025 1.00 1.00 C ATOM 1984 C GLY A 124 121.038 15.706 -13.364 1.00 1.00 C ATOM 1985 O GLY A 124 121.619 16.616 -12.773 1.00 1.00 O ATOM 0 H GLY A 124 118.870 17.295 -13.308 1.00 1.00 H new ATOM 0 HA2 GLY A 124 119.581 14.609 -12.232 1.00 1.00 H new ATOM 0 HA3 GLY A 124 119.112 14.918 -13.892 1.00 1.00 H new ATOM 1989 N PHE A 125 121.598 15.022 -14.340 1.00 1.00 N ATOM 1990 CA PHE A 125 122.948 15.328 -14.755 1.00 1.00 C ATOM 1991 C PHE A 125 122.906 16.571 -15.628 1.00 1.00 C ATOM 1992 O PHE A 125 122.085 16.663 -16.539 1.00 1.00 O ATOM 1993 CB PHE A 125 123.536 14.161 -15.544 1.00 1.00 C ATOM 1994 CG PHE A 125 124.869 14.574 -16.108 1.00 1.00 C ATOM 1995 CD1 PHE A 125 126.003 14.579 -15.289 1.00 1.00 C ATOM 1996 CD2 PHE A 125 124.968 14.960 -17.448 1.00 1.00 C ATOM 1997 CE1 PHE A 125 127.240 14.971 -15.811 1.00 1.00 C ATOM 1998 CE2 PHE A 125 126.205 15.352 -17.973 1.00 1.00 C ATOM 1999 CZ PHE A 125 127.342 15.358 -17.154 1.00 1.00 C ATOM 0 H PHE A 125 121.148 14.264 -14.852 1.00 1.00 H new ATOM 0 HA PHE A 125 123.575 15.500 -13.880 1.00 1.00 H new ATOM 0 HB2 PHE A 125 123.654 13.291 -14.898 1.00 1.00 H new ATOM 0 HB3 PHE A 125 122.860 13.872 -16.349 1.00 1.00 H new ATOM 0 HD1 PHE A 125 125.923 14.280 -14.254 1.00 1.00 H new ATOM 0 HD2 PHE A 125 124.091 14.956 -18.078 1.00 1.00 H new ATOM 0 HE1 PHE A 125 128.116 14.975 -15.179 1.00 1.00 H new ATOM 0 HE2 PHE A 125 126.283 15.650 -19.008 1.00 1.00 H new ATOM 0 HZ PHE A 125 128.297 15.661 -17.558 1.00 1.00 H new ATOM 2009 N GLU A 126 123.770 17.537 -15.348 1.00 1.00 N ATOM 2010 CA GLU A 126 123.787 18.770 -16.119 1.00 1.00 C ATOM 2011 C GLU A 126 125.228 19.279 -16.278 1.00 1.00 C ATOM 2012 O GLU A 126 125.865 19.621 -15.282 1.00 1.00 O ATOM 2013 CB GLU A 126 122.952 19.837 -15.402 1.00 1.00 C ATOM 2014 CG GLU A 126 122.323 20.779 -16.433 1.00 1.00 C ATOM 2015 CD GLU A 126 121.217 20.062 -17.202 1.00 1.00 C ATOM 2016 OE1 GLU A 126 120.817 18.996 -16.766 1.00 1.00 O ATOM 2017 OE2 GLU A 126 120.788 20.590 -18.216 1.00 1.00 O ATOM 0 H GLU A 126 124.462 17.491 -14.600 1.00 1.00 H new ATOM 0 HA GLU A 126 123.367 18.572 -17.105 1.00 1.00 H new ATOM 0 HB2 GLU A 126 122.173 19.363 -14.805 1.00 1.00 H new ATOM 0 HB3 GLU A 126 123.580 20.403 -14.714 1.00 1.00 H new ATOM 0 HG2 GLU A 126 121.916 21.657 -15.932 1.00 1.00 H new ATOM 0 HG3 GLU A 126 123.087 21.132 -17.126 1.00 1.00 H new ATOM 2024 N PRO A 127 125.763 19.360 -17.480 1.00 1.00 N ATOM 2025 CA PRO A 127 127.151 19.864 -17.677 1.00 1.00 C ATOM 2026 C PRO A 127 127.345 21.253 -17.077 1.00 1.00 C ATOM 2027 O PRO A 127 126.387 22.004 -16.895 1.00 1.00 O ATOM 2028 CB PRO A 127 127.335 19.922 -19.196 1.00 1.00 C ATOM 2029 CG PRO A 127 126.274 19.052 -19.777 1.00 1.00 C ATOM 2030 CD PRO A 127 125.137 18.983 -18.761 1.00 1.00 C ATOM 0 HA PRO A 127 127.876 19.218 -17.183 1.00 1.00 H new ATOM 0 HB2 PRO A 127 127.242 20.945 -19.561 1.00 1.00 H new ATOM 0 HB3 PRO A 127 128.326 19.570 -19.482 1.00 1.00 H new ATOM 0 HG2 PRO A 127 125.919 19.459 -20.724 1.00 1.00 H new ATOM 0 HG3 PRO A 127 126.665 18.056 -19.985 1.00 1.00 H new ATOM 0 HD2 PRO A 127 124.328 19.665 -19.023 1.00 1.00 H new ATOM 0 HD3 PRO A 127 124.707 17.982 -18.714 1.00 1.00 H new ATOM 2038 N GLY A 128 128.596 21.572 -16.771 1.00 1.00 N ATOM 2039 CA GLY A 128 128.916 22.869 -16.184 1.00 1.00 C ATOM 2040 C GLY A 128 129.759 22.725 -14.935 1.00 1.00 C ATOM 2041 O GLY A 128 130.470 23.662 -14.572 1.00 1.00 O ATOM 0 H GLY A 128 129.398 20.959 -16.917 1.00 1.00 H new ATOM 0 HA2 GLY A 128 129.449 23.478 -16.915 1.00 1.00 H new ATOM 0 HA3 GLY A 128 127.993 23.396 -15.942 1.00 1.00 H new ATOM 2045 N GLY A 129 129.728 21.573 -14.275 1.00 1.00 N ATOM 2046 CA GLY A 129 130.545 21.384 -13.092 1.00 1.00 C ATOM 2047 C GLY A 129 129.797 21.689 -11.792 1.00 1.00 C ATOM 2048 O GLY A 129 128.602 21.989 -11.793 1.00 1.00 O ATOM 0 H GLY A 129 129.155 20.771 -14.536 1.00 1.00 H new ATOM 0 HA2 GLY A 129 130.903 20.355 -13.065 1.00 1.00 H new ATOM 0 HA3 GLY A 129 131.424 22.026 -13.158 1.00 1.00 H new ATOM 2052 N GLY A 130 130.510 21.524 -10.685 1.00 1.00 N ATOM 2053 CA GLY A 130 129.918 21.691 -9.359 1.00 1.00 C ATOM 2054 C GLY A 130 129.449 23.108 -9.049 1.00 1.00 C ATOM 2055 O GLY A 130 128.380 23.293 -8.467 1.00 1.00 O ATOM 0 H GLY A 130 131.499 21.275 -10.677 1.00 1.00 H new ATOM 0 HA2 GLY A 130 129.070 21.013 -9.266 1.00 1.00 H new ATOM 0 HA3 GLY A 130 130.649 21.392 -8.608 1.00 1.00 H new ATOM 2059 N ALA A 131 130.241 24.103 -9.412 1.00 1.00 N ATOM 2060 CA ALA A 131 129.881 25.483 -9.136 1.00 1.00 C ATOM 2061 C ALA A 131 128.554 25.833 -9.797 1.00 1.00 C ATOM 2062 O ALA A 131 127.671 26.430 -9.182 1.00 1.00 O ATOM 2063 CB ALA A 131 130.957 26.408 -9.701 1.00 1.00 C ATOM 0 H ALA A 131 131.131 23.982 -9.895 1.00 1.00 H new ATOM 0 HA ALA A 131 129.793 25.607 -8.057 1.00 1.00 H new ATOM 0 HB1 ALA A 131 130.690 27.445 -9.496 1.00 1.00 H new ATOM 0 HB2 ALA A 131 131.915 26.180 -9.233 1.00 1.00 H new ATOM 0 HB3 ALA A 131 131.035 26.260 -10.778 1.00 1.00 H new ATOM 2069 N ALA A 132 128.431 25.499 -11.062 1.00 1.00 N ATOM 2070 CA ALA A 132 127.222 25.819 -11.792 1.00 1.00 C ATOM 2071 C ALA A 132 125.995 25.076 -11.242 1.00 1.00 C ATOM 2072 O ALA A 132 124.893 25.629 -11.204 1.00 1.00 O ATOM 2073 CB ALA A 132 127.419 25.483 -13.265 1.00 1.00 C ATOM 0 H ALA A 132 129.144 25.011 -11.603 1.00 1.00 H new ATOM 0 HA ALA A 132 127.031 26.885 -11.671 1.00 1.00 H new ATOM 0 HB1 ALA A 132 126.511 25.723 -13.818 1.00 1.00 H new ATOM 0 HB2 ALA A 132 128.250 26.065 -13.663 1.00 1.00 H new ATOM 0 HB3 ALA A 132 127.638 24.420 -13.370 1.00 1.00 H new ATOM 2079 N TYR A 133 126.176 23.822 -10.833 1.00 1.00 N ATOM 2080 CA TYR A 133 125.072 23.012 -10.312 1.00 1.00 C ATOM 2081 C TYR A 133 124.501 23.614 -9.033 1.00 1.00 C ATOM 2082 O TYR A 133 123.283 23.640 -8.844 1.00 1.00 O ATOM 2083 CB TYR A 133 125.567 21.592 -10.035 1.00 1.00 C ATOM 2084 CG TYR A 133 124.406 20.706 -9.644 1.00 1.00 C ATOM 2085 CD1 TYR A 133 123.988 20.636 -8.308 1.00 1.00 C ATOM 2086 CD2 TYR A 133 123.751 19.946 -10.621 1.00 1.00 C ATOM 2087 CE1 TYR A 133 122.915 19.809 -7.953 1.00 1.00 C ATOM 2088 CE2 TYR A 133 122.679 19.118 -10.264 1.00 1.00 C ATOM 2089 CZ TYR A 133 122.262 19.049 -8.931 1.00 1.00 C ATOM 2090 OH TYR A 133 121.207 18.233 -8.579 1.00 1.00 O ATOM 0 H TYR A 133 127.076 23.343 -10.851 1.00 1.00 H new ATOM 0 HA TYR A 133 124.280 22.990 -11.061 1.00 1.00 H new ATOM 0 HB2 TYR A 133 126.059 21.190 -10.921 1.00 1.00 H new ATOM 0 HB3 TYR A 133 126.309 21.606 -9.237 1.00 1.00 H new ATOM 0 HD1 TYR A 133 124.493 21.220 -7.553 1.00 1.00 H new ATOM 0 HD2 TYR A 133 124.073 19.998 -11.651 1.00 1.00 H new ATOM 0 HE1 TYR A 133 122.591 19.757 -6.924 1.00 1.00 H new ATOM 0 HE2 TYR A 133 122.174 18.533 -11.018 1.00 1.00 H new ATOM 0 HH TYR A 133 120.892 18.474 -7.683 1.00 1.00 H new ATOM 2100 N VAL A 134 125.373 24.075 -8.147 1.00 1.00 N ATOM 2101 CA VAL A 134 124.907 24.641 -6.898 1.00 1.00 C ATOM 2102 C VAL A 134 124.120 25.922 -7.144 1.00 1.00 C ATOM 2103 O VAL A 134 123.166 26.211 -6.446 1.00 1.00 O ATOM 2104 CB VAL A 134 126.065 24.885 -5.938 1.00 1.00 C ATOM 2105 CG1 VAL A 134 126.707 23.554 -5.555 1.00 1.00 C ATOM 2106 CG2 VAL A 134 127.114 25.774 -6.578 1.00 1.00 C ATOM 0 H VAL A 134 126.386 24.068 -8.269 1.00 1.00 H new ATOM 0 HA VAL A 134 124.238 23.918 -6.431 1.00 1.00 H new ATOM 0 HB VAL A 134 125.674 25.380 -5.049 1.00 1.00 H new ATOM 0 HG11 VAL A 134 127.534 23.733 -4.869 1.00 1.00 H new ATOM 0 HG12 VAL A 134 125.965 22.918 -5.071 1.00 1.00 H new ATOM 0 HG13 VAL A 134 127.080 23.059 -6.451 1.00 1.00 H new ATOM 0 HG21 VAL A 134 127.932 25.936 -5.876 1.00 1.00 H new ATOM 0 HG22 VAL A 134 127.498 25.294 -7.478 1.00 1.00 H new ATOM 0 HG23 VAL A 134 126.667 26.733 -6.841 1.00 1.00 H new ATOM 2116 N SER A 135 124.512 26.713 -8.123 1.00 1.00 N ATOM 2117 CA SER A 135 123.777 27.937 -8.384 1.00 1.00 C ATOM 2118 C SER A 135 122.323 27.601 -8.726 1.00 1.00 C ATOM 2119 O SER A 135 121.392 28.286 -8.303 1.00 1.00 O ATOM 2120 CB SER A 135 124.418 28.703 -9.540 1.00 1.00 C ATOM 2121 OG SER A 135 125.779 28.970 -9.229 1.00 1.00 O ATOM 0 H SER A 135 125.310 26.540 -8.735 1.00 1.00 H new ATOM 0 HA SER A 135 123.803 28.563 -7.492 1.00 1.00 H new ATOM 0 HB2 SER A 135 124.350 28.121 -10.459 1.00 1.00 H new ATOM 0 HB3 SER A 135 123.883 29.636 -9.714 1.00 1.00 H new ATOM 0 HG SER A 135 126.305 28.149 -9.329 1.00 1.00 H new ATOM 2127 N LYS A 136 122.155 26.546 -9.521 1.00 1.00 N ATOM 2128 CA LYS A 136 120.826 26.118 -9.965 1.00 1.00 C ATOM 2129 C LYS A 136 119.941 25.664 -8.804 1.00 1.00 C ATOM 2130 O LYS A 136 118.753 25.983 -8.759 1.00 1.00 O ATOM 2131 CB LYS A 136 120.958 24.968 -10.964 1.00 1.00 C ATOM 2132 CG LYS A 136 121.641 25.471 -12.236 1.00 1.00 C ATOM 2133 CD LYS A 136 121.788 24.316 -13.229 1.00 1.00 C ATOM 2134 CE LYS A 136 122.512 24.811 -14.483 1.00 1.00 C ATOM 2135 NZ LYS A 136 121.714 25.896 -15.119 1.00 1.00 N ATOM 0 H LYS A 136 122.921 25.971 -9.872 1.00 1.00 H new ATOM 0 HA LYS A 136 120.353 26.982 -10.432 1.00 1.00 H new ATOM 0 HB2 LYS A 136 121.537 24.156 -10.525 1.00 1.00 H new ATOM 0 HB3 LYS A 136 119.974 24.565 -11.202 1.00 1.00 H new ATOM 0 HG2 LYS A 136 121.056 26.275 -12.682 1.00 1.00 H new ATOM 0 HG3 LYS A 136 122.620 25.885 -11.996 1.00 1.00 H new ATOM 0 HD2 LYS A 136 122.346 23.499 -12.773 1.00 1.00 H new ATOM 0 HD3 LYS A 136 120.807 23.923 -13.494 1.00 1.00 H new ATOM 0 HE2 LYS A 136 123.504 25.179 -14.222 1.00 1.00 H new ATOM 0 HE3 LYS A 136 122.652 23.988 -15.184 1.00 1.00 H new ATOM 0 HZ1 LYS A 136 122.024 26.024 -16.103 1.00 1.00 H new ATOM 0 HZ2 LYS A 136 120.706 25.640 -15.104 1.00 1.00 H new ATOM 0 HZ3 LYS A 136 121.854 26.783 -14.594 1.00 1.00 H new ATOM 2149 N VAL A 137 120.516 24.910 -7.876 1.00 1.00 N ATOM 2150 CA VAL A 137 119.741 24.417 -6.745 1.00 1.00 C ATOM 2151 C VAL A 137 119.284 25.578 -5.861 1.00 1.00 C ATOM 2152 O VAL A 137 118.169 25.577 -5.345 1.00 1.00 O ATOM 2153 CB VAL A 137 120.548 23.369 -5.958 1.00 1.00 C ATOM 2154 CG1 VAL A 137 121.527 24.038 -5.031 1.00 1.00 C ATOM 2155 CG2 VAL A 137 119.599 22.500 -5.130 1.00 1.00 C ATOM 0 H VAL A 137 121.497 24.631 -7.882 1.00 1.00 H new ATOM 0 HA VAL A 137 118.843 23.923 -7.116 1.00 1.00 H new ATOM 0 HB VAL A 137 121.094 22.753 -6.672 1.00 1.00 H new ATOM 0 HG11 VAL A 137 122.087 23.279 -4.484 1.00 1.00 H new ATOM 0 HG12 VAL A 137 122.217 24.651 -5.611 1.00 1.00 H new ATOM 0 HG13 VAL A 137 120.987 24.669 -4.325 1.00 1.00 H new ATOM 0 HG21 VAL A 137 120.175 21.760 -4.575 1.00 1.00 H new ATOM 0 HG22 VAL A 137 119.046 23.128 -4.432 1.00 1.00 H new ATOM 0 HG23 VAL A 137 118.899 21.992 -5.793 1.00 1.00 H new ATOM 2165 N LYS A 138 120.163 26.559 -5.682 1.00 1.00 N ATOM 2166 CA LYS A 138 119.855 27.711 -4.846 1.00 1.00 C ATOM 2167 C LYS A 138 118.620 28.441 -5.365 1.00 1.00 C ATOM 2168 O LYS A 138 117.744 28.817 -4.588 1.00 1.00 O ATOM 2169 CB LYS A 138 121.048 28.673 -4.826 1.00 1.00 C ATOM 2170 CG LYS A 138 122.192 28.066 -4.011 1.00 1.00 C ATOM 2171 CD LYS A 138 123.414 28.984 -4.086 1.00 1.00 C ATOM 2172 CE LYS A 138 124.553 28.387 -3.261 1.00 1.00 C ATOM 2173 NZ LYS A 138 125.780 29.214 -3.430 1.00 1.00 N ATOM 0 H LYS A 138 121.091 26.578 -6.104 1.00 1.00 H new ATOM 0 HA LYS A 138 119.653 27.357 -3.835 1.00 1.00 H new ATOM 0 HB2 LYS A 138 121.382 28.874 -5.844 1.00 1.00 H new ATOM 0 HB3 LYS A 138 120.749 29.628 -4.394 1.00 1.00 H new ATOM 0 HG2 LYS A 138 121.885 27.936 -2.973 1.00 1.00 H new ATOM 0 HG3 LYS A 138 122.442 27.077 -4.396 1.00 1.00 H new ATOM 0 HD2 LYS A 138 123.727 29.106 -5.123 1.00 1.00 H new ATOM 0 HD3 LYS A 138 123.160 29.976 -3.711 1.00 1.00 H new ATOM 0 HE2 LYS A 138 124.271 28.347 -2.209 1.00 1.00 H new ATOM 0 HE3 LYS A 138 124.747 27.362 -3.578 1.00 1.00 H new ATOM 0 HZ1 LYS A 138 126.554 28.806 -2.868 1.00 1.00 H new ATOM 0 HZ2 LYS A 138 126.052 29.230 -4.434 1.00 1.00 H new ATOM 0 HZ3 LYS A 138 125.592 30.184 -3.107 1.00 1.00 H new ATOM 2187 N SER A 139 118.556 28.646 -6.673 1.00 1.00 N ATOM 2188 CA SER A 139 117.423 29.339 -7.269 1.00 1.00 C ATOM 2189 C SER A 139 116.161 28.507 -7.119 1.00 1.00 C ATOM 2190 O SER A 139 115.073 29.032 -6.886 1.00 1.00 O ATOM 2191 CB SER A 139 117.688 29.597 -8.753 1.00 1.00 C ATOM 2192 OG SER A 139 116.611 30.347 -9.300 1.00 1.00 O ATOM 0 H SER A 139 119.269 28.345 -7.337 1.00 1.00 H new ATOM 0 HA SER A 139 117.289 30.291 -6.755 1.00 1.00 H new ATOM 0 HB2 SER A 139 118.625 30.140 -8.878 1.00 1.00 H new ATOM 0 HB3 SER A 139 117.795 28.652 -9.285 1.00 1.00 H new ATOM 0 HG SER A 139 116.779 30.515 -10.251 1.00 1.00 H new ATOM 2198 N ALA A 140 116.318 27.204 -7.276 1.00 1.00 N ATOM 2199 CA ALA A 140 115.196 26.286 -7.191 1.00 1.00 C ATOM 2200 C ALA A 140 114.620 26.219 -5.780 1.00 1.00 C ATOM 2201 O ALA A 140 113.404 26.138 -5.608 1.00 1.00 O ATOM 2202 CB ALA A 140 115.662 24.904 -7.634 1.00 1.00 C ATOM 0 H ALA A 140 117.215 26.757 -7.464 1.00 1.00 H new ATOM 0 HA ALA A 140 114.401 26.647 -7.844 1.00 1.00 H new ATOM 0 HB1 ALA A 140 114.829 24.203 -7.575 1.00 1.00 H new ATOM 0 HB2 ALA A 140 116.023 24.954 -8.661 1.00 1.00 H new ATOM 0 HB3 ALA A 140 116.468 24.566 -6.982 1.00 1.00 H new ATOM 2208 N LEU A 141 115.481 26.222 -4.778 1.00 1.00 N ATOM 2209 CA LEU A 141 115.013 26.127 -3.401 1.00 1.00 C ATOM 2210 C LEU A 141 114.742 27.498 -2.787 1.00 1.00 C ATOM 2211 O LEU A 141 114.304 27.580 -1.639 1.00 1.00 O ATOM 2212 CB LEU A 141 116.037 25.375 -2.552 1.00 1.00 C ATOM 2213 CG LEU A 141 115.800 23.867 -2.664 1.00 1.00 C ATOM 2214 CD1 LEU A 141 115.874 23.432 -4.125 1.00 1.00 C ATOM 2215 CD2 LEU A 141 116.873 23.124 -1.869 1.00 1.00 C ATOM 0 H LEU A 141 116.493 26.288 -4.885 1.00 1.00 H new ATOM 0 HA LEU A 141 114.070 25.581 -3.416 1.00 1.00 H new ATOM 0 HB2 LEU A 141 117.046 25.619 -2.883 1.00 1.00 H new ATOM 0 HB3 LEU A 141 115.959 25.688 -1.511 1.00 1.00 H new ATOM 0 HG LEU A 141 114.812 23.634 -2.267 1.00 1.00 H new ATOM 0 HD11 LEU A 141 115.704 22.358 -4.194 1.00 1.00 H new ATOM 0 HD12 LEU A 141 115.112 23.958 -4.700 1.00 1.00 H new ATOM 0 HD13 LEU A 141 116.859 23.670 -4.526 1.00 1.00 H new ATOM 0 HD21 LEU A 141 116.706 22.050 -1.948 1.00 1.00 H new ATOM 0 HD22 LEU A 141 117.857 23.368 -2.269 1.00 1.00 H new ATOM 0 HD23 LEU A 141 116.823 23.423 -0.822 1.00 1.00 H new ATOM 2227 N LYS A 142 114.999 28.577 -3.536 1.00 1.00 N ATOM 2228 CA LYS A 142 114.769 29.930 -3.033 1.00 1.00 C ATOM 2229 C LYS A 142 115.640 30.219 -1.814 1.00 1.00 C ATOM 2230 O LYS A 142 115.164 30.740 -0.806 1.00 1.00 O ATOM 2231 CB LYS A 142 113.292 30.120 -2.677 1.00 1.00 C ATOM 2232 CG LYS A 142 112.424 29.710 -3.870 1.00 1.00 C ATOM 2233 CD LYS A 142 111.543 28.524 -3.476 1.00 1.00 C ATOM 2234 CE LYS A 142 110.802 28.002 -4.708 1.00 1.00 C ATOM 2235 NZ LYS A 142 109.946 29.084 -5.264 1.00 1.00 N ATOM 0 H LYS A 142 115.364 28.537 -4.487 1.00 1.00 H new ATOM 0 HA LYS A 142 115.040 30.632 -3.821 1.00 1.00 H new ATOM 0 HB2 LYS A 142 113.037 29.519 -1.804 1.00 1.00 H new ATOM 0 HB3 LYS A 142 113.101 31.161 -2.415 1.00 1.00 H new ATOM 0 HG2 LYS A 142 111.803 30.548 -4.187 1.00 1.00 H new ATOM 0 HG3 LYS A 142 113.055 29.442 -4.717 1.00 1.00 H new ATOM 0 HD2 LYS A 142 112.155 27.732 -3.044 1.00 1.00 H new ATOM 0 HD3 LYS A 142 110.828 28.828 -2.711 1.00 1.00 H new ATOM 0 HE2 LYS A 142 111.516 27.665 -5.460 1.00 1.00 H new ATOM 0 HE3 LYS A 142 110.190 27.140 -4.440 1.00 1.00 H new ATOM 0 HZ1 LYS A 142 109.260 28.676 -5.930 1.00 1.00 H new ATOM 0 HZ2 LYS A 142 109.438 29.557 -4.490 1.00 1.00 H new ATOM 0 HZ3 LYS A 142 110.541 29.777 -5.761 1.00 1.00 H new ATOM 2249 N LEU A 143 116.926 29.905 -1.932 1.00 1.00 N ATOM 2250 CA LEU A 143 117.888 30.158 -0.860 1.00 1.00 C ATOM 2251 C LEU A 143 118.639 31.454 -1.161 1.00 1.00 C ATOM 2252 O LEU A 143 119.279 31.581 -2.204 1.00 1.00 O ATOM 2253 CB LEU A 143 118.917 29.021 -0.791 1.00 1.00 C ATOM 2254 CG LEU A 143 118.457 27.830 0.086 1.00 1.00 C ATOM 2255 CD1 LEU A 143 116.931 27.685 0.141 1.00 1.00 C ATOM 2256 CD2 LEU A 143 119.042 26.543 -0.500 1.00 1.00 C ATOM 0 H LEU A 143 117.330 29.473 -2.763 1.00 1.00 H new ATOM 0 HA LEU A 143 117.350 30.228 0.085 1.00 1.00 H new ATOM 0 HB2 LEU A 143 119.120 28.663 -1.800 1.00 1.00 H new ATOM 0 HB3 LEU A 143 119.855 29.413 -0.397 1.00 1.00 H new ATOM 0 HG LEU A 143 118.808 28.015 1.101 1.00 1.00 H new ATOM 0 HD11 LEU A 143 116.669 26.834 0.770 1.00 1.00 H new ATOM 0 HD12 LEU A 143 116.494 28.593 0.558 1.00 1.00 H new ATOM 0 HD13 LEU A 143 116.544 27.525 -0.865 1.00 1.00 H new ATOM 0 HD21 LEU A 143 118.728 25.692 0.105 1.00 1.00 H new ATOM 0 HD22 LEU A 143 118.685 26.413 -1.522 1.00 1.00 H new ATOM 0 HD23 LEU A 143 120.130 26.606 -0.502 1.00 1.00 H new