USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 964 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 123 MET CE :methyl 150:sc= -3.72 (180deg=-4.53!) USER MOD Set 1.2: A 133 TYR OH : rot 15:sc= -0.835 USER MOD Set 2.1: A 87 GLN : amide:sc= -10.2! C(o=-20!,f=-21!) USER MOD Set 2.2: A 91 GLN : amide:sc= -10.3! C(o=-20!,f=-16!) USER MOD Single : A 22 GLN : amide:sc= -0.0972 X(o=-0.097,f=-0.43) USER MOD Single : A 25 SER OG : rot 166:sc= -0.79 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= 0.0748 X(o=0.075,f=-0.32) USER MOD Single : A 33 SER OG : rot 100:sc= 1.24 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=-1.1!) USER MOD Single : A 37 HIS : no HE2:sc= -2.62! C(o=-2.6!,f=-4!) USER MOD Single : A 38 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.116) USER MOD Single : A 45 THR OG1 : rot -136:sc= 0.157 USER MOD Single : A 47 SER OG : rot 173:sc= -0.0379 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 156:sc= -1.99! (180deg=-2.82) USER MOD Single : A 57 GLN : amide:sc= -0.0475 K(o=-0.048,f=-2!) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 62 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.32) USER MOD Single : A 63 SER OG : rot 124:sc= 0.668 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -136:sc= 0.173 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.245 X(o=-0.25,f=-0.0015) USER MOD Single : A 73 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.19) USER MOD Single : A 75 HIS : no HE2:sc= -0.954! C(o=-0.95!,f=-5.4!) USER MOD Single : A 76 MET CE :methyl 135:sc= -0.107 (180deg=-1.26) USER MOD Single : A 83 GLN : amide:sc= 0.742 K(o=0.74,f=-0.16) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -2.4! C(o=-2.4!,f=-16!) USER MOD Single : A 86 HIS : no HD1:sc= -0.959 K(o=-0.96,f=-2.4) USER MOD Single : A 93 GLN : amide:sc= -0.0782 K(o=-0.078,f=-1.5!) USER MOD Single : A 94 LYS NZ :NH3+ -176:sc= -0.962 (180deg=-1.02) USER MOD Single : A 95 ASN : amide:sc= -0.802 K(o=-0.8,f=-2.5!) USER MOD Single : A 96 GLN : amide:sc= -0.0236 K(o=-0.024,f=-1.3!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -0.0492 K(o=-0.049,f=-0.61) USER MOD Single : A 102 TYR OH : rot 130:sc= -2.77! USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.00404 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 GLN : amide:sc= -1.72! K(o=-1.7!,f=-0.0081) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ -113:sc= 0.957 (180deg=-0.0216) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 SER OG : rot 82:sc= 0.374 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 308 N LEU A 21 131.865 14.900 1.833 1.00 1.00 N ATOM 309 CA LEU A 21 130.431 14.979 2.106 1.00 1.00 C ATOM 310 C LEU A 21 130.036 13.979 3.188 1.00 1.00 C ATOM 311 O LEU A 21 130.509 12.842 3.211 1.00 1.00 O ATOM 312 CB LEU A 21 129.645 14.706 0.822 1.00 1.00 C ATOM 313 CG LEU A 21 128.212 15.227 0.958 1.00 1.00 C ATOM 314 CD1 LEU A 21 128.168 16.722 0.624 1.00 1.00 C ATOM 315 CD2 LEU A 21 127.302 14.485 -0.020 1.00 1.00 C ATOM 0 HA LEU A 21 130.196 15.982 2.463 1.00 1.00 H new ATOM 0 HB2 LEU A 21 130.136 15.188 -0.023 1.00 1.00 H new ATOM 0 HB3 LEU A 21 129.632 13.636 0.615 1.00 1.00 H new ATOM 0 HG LEU A 21 127.875 15.065 1.982 1.00 1.00 H new ATOM 0 HD11 LEU A 21 127.146 17.087 0.723 1.00 1.00 H new ATOM 0 HD12 LEU A 21 128.816 17.267 1.310 1.00 1.00 H new ATOM 0 HD13 LEU A 21 128.511 16.877 -0.399 1.00 1.00 H new ATOM 0 HD21 LEU A 21 126.282 14.857 0.078 1.00 1.00 H new ATOM 0 HD22 LEU A 21 127.652 14.650 -1.039 1.00 1.00 H new ATOM 0 HD23 LEU A 21 127.322 13.418 0.202 1.00 1.00 H new ATOM 327 N GLN A 22 129.147 14.430 4.070 1.00 1.00 N ATOM 328 CA GLN A 22 128.654 13.602 5.165 1.00 1.00 C ATOM 329 C GLN A 22 127.291 13.012 4.797 1.00 1.00 C ATOM 330 O GLN A 22 126.282 13.719 4.791 1.00 1.00 O ATOM 331 CB GLN A 22 128.535 14.456 6.427 1.00 1.00 C ATOM 332 CG GLN A 22 129.910 15.032 6.765 1.00 1.00 C ATOM 333 CD GLN A 22 130.845 13.923 7.236 1.00 1.00 C ATOM 334 OE1 GLN A 22 130.467 13.101 8.069 1.00 1.00 O ATOM 335 NE2 GLN A 22 132.056 13.860 6.753 1.00 1.00 N ATOM 0 H GLN A 22 128.752 15.370 4.046 1.00 1.00 H new ATOM 0 HA GLN A 22 129.351 12.784 5.348 1.00 1.00 H new ATOM 0 HB2 GLN A 22 127.817 15.261 6.271 1.00 1.00 H new ATOM 0 HB3 GLN A 22 128.164 13.854 7.256 1.00 1.00 H new ATOM 0 HG2 GLN A 22 130.331 15.525 5.889 1.00 1.00 H new ATOM 0 HG3 GLN A 22 129.814 15.791 7.542 1.00 1.00 H new ATOM 0 HE21 GLN A 22 132.366 14.544 6.062 1.00 1.00 H new ATOM 0 HE22 GLN A 22 132.693 13.127 7.066 1.00 1.00 H new ATOM 344 N TRP A 23 127.270 11.713 4.501 1.00 1.00 N ATOM 345 CA TRP A 23 126.023 11.038 4.145 1.00 1.00 C ATOM 346 C TRP A 23 125.235 10.701 5.412 1.00 1.00 C ATOM 347 O TRP A 23 125.790 10.250 6.413 1.00 1.00 O ATOM 348 CB TRP A 23 126.332 9.748 3.383 1.00 1.00 C ATOM 349 CG TRP A 23 127.280 10.028 2.255 1.00 1.00 C ATOM 350 CD1 TRP A 23 127.023 10.837 1.200 1.00 1.00 C ATOM 351 CD2 TRP A 23 128.629 9.510 2.051 1.00 1.00 C ATOM 352 NE1 TRP A 23 128.127 10.842 0.362 1.00 1.00 N ATOM 353 CE2 TRP A 23 129.139 10.044 0.845 1.00 1.00 C ATOM 354 CE3 TRP A 23 129.452 8.638 2.788 1.00 1.00 C ATOM 355 CZ2 TRP A 23 130.412 9.727 0.382 1.00 1.00 C ATOM 356 CZ3 TRP A 23 130.739 8.315 2.325 1.00 1.00 C ATOM 357 CH2 TRP A 23 131.218 8.859 1.124 1.00 1.00 C ATOM 0 H TRP A 23 128.094 11.112 4.500 1.00 1.00 H new ATOM 0 HA TRP A 23 125.429 11.700 3.514 1.00 1.00 H new ATOM 0 HB2 TRP A 23 126.767 9.013 4.060 1.00 1.00 H new ATOM 0 HB3 TRP A 23 125.410 9.317 2.994 1.00 1.00 H new ATOM 0 HD1 TRP A 23 126.108 11.388 1.038 1.00 1.00 H new ATOM 0 HE1 TRP A 23 128.183 11.373 -0.507 1.00 1.00 H new ATOM 0 HE3 TRP A 23 129.093 8.215 3.714 1.00 1.00 H new ATOM 0 HZ2 TRP A 23 130.775 10.148 -0.544 1.00 1.00 H new ATOM 0 HZ3 TRP A 23 131.363 7.644 2.897 1.00 1.00 H new ATOM 0 HH2 TRP A 23 132.208 8.608 0.773 1.00 1.00 H new ATOM 368 N GLU A 24 123.925 10.912 5.329 1.00 1.00 N ATOM 369 CA GLU A 24 123.023 10.622 6.439 1.00 1.00 C ATOM 370 C GLU A 24 121.937 9.658 5.975 1.00 1.00 C ATOM 371 O GLU A 24 121.759 9.441 4.775 1.00 1.00 O ATOM 372 CB GLU A 24 122.384 11.922 6.931 1.00 1.00 C ATOM 373 CG GLU A 24 123.460 12.797 7.574 1.00 1.00 C ATOM 374 CD GLU A 24 122.872 14.144 7.975 1.00 1.00 C ATOM 375 OE1 GLU A 24 121.676 14.315 7.822 1.00 1.00 O ATOM 376 OE2 GLU A 24 123.631 14.988 8.426 1.00 1.00 O ATOM 0 H GLU A 24 123.462 11.285 4.500 1.00 1.00 H new ATOM 0 HA GLU A 24 123.584 10.166 7.254 1.00 1.00 H new ATOM 0 HB2 GLU A 24 121.918 12.450 6.099 1.00 1.00 H new ATOM 0 HB3 GLU A 24 121.596 11.704 7.652 1.00 1.00 H new ATOM 0 HG2 GLU A 24 123.871 12.296 8.450 1.00 1.00 H new ATOM 0 HG3 GLU A 24 124.284 12.945 6.876 1.00 1.00 H new ATOM 383 N SER A 25 121.206 9.080 6.924 1.00 1.00 N ATOM 384 CA SER A 25 120.151 8.159 6.570 1.00 1.00 C ATOM 385 C SER A 25 118.888 8.941 6.253 1.00 1.00 C ATOM 386 O SER A 25 118.751 10.103 6.630 1.00 1.00 O ATOM 387 CB SER A 25 119.894 7.178 7.711 1.00 1.00 C ATOM 388 OG SER A 25 118.986 7.761 8.629 1.00 1.00 O ATOM 0 H SER A 25 121.327 9.234 7.925 1.00 1.00 H new ATOM 0 HA SER A 25 120.453 7.588 5.692 1.00 1.00 H new ATOM 0 HB2 SER A 25 119.487 6.245 7.320 1.00 1.00 H new ATOM 0 HB3 SER A 25 120.830 6.932 8.213 1.00 1.00 H new ATOM 0 HG SER A 25 118.643 7.070 9.234 1.00 1.00 H new ATOM 394 N TYR A 26 117.972 8.290 5.571 1.00 1.00 N ATOM 395 CA TYR A 26 116.715 8.904 5.207 1.00 1.00 C ATOM 396 C TYR A 26 115.946 9.301 6.451 1.00 1.00 C ATOM 397 O TYR A 26 115.388 10.395 6.541 1.00 1.00 O ATOM 398 CB TYR A 26 115.910 7.887 4.401 1.00 1.00 C ATOM 399 CG TYR A 26 114.464 8.302 4.302 1.00 1.00 C ATOM 400 CD1 TYR A 26 114.057 9.257 3.365 1.00 1.00 C ATOM 401 CD2 TYR A 26 113.524 7.692 5.138 1.00 1.00 C ATOM 402 CE1 TYR A 26 112.702 9.604 3.266 1.00 1.00 C ATOM 403 CE2 TYR A 26 112.175 8.040 5.043 1.00 1.00 C ATOM 404 CZ TYR A 26 111.762 8.991 4.103 1.00 1.00 C ATOM 405 OH TYR A 26 110.428 9.328 4.005 1.00 1.00 O ATOM 0 H TYR A 26 118.076 7.326 5.255 1.00 1.00 H new ATOM 0 HA TYR A 26 116.894 9.802 4.616 1.00 1.00 H new ATOM 0 HB2 TYR A 26 116.334 7.791 3.402 1.00 1.00 H new ATOM 0 HB3 TYR A 26 115.980 6.907 4.872 1.00 1.00 H new ATOM 0 HD1 TYR A 26 114.785 9.726 2.719 1.00 1.00 H new ATOM 0 HD2 TYR A 26 113.841 6.952 5.857 1.00 1.00 H new ATOM 0 HE1 TYR A 26 112.384 10.343 2.545 1.00 1.00 H new ATOM 0 HE2 TYR A 26 111.450 7.575 5.695 1.00 1.00 H new ATOM 0 HH TYR A 26 109.911 8.810 4.657 1.00 1.00 H new ATOM 415 N ALA A 27 115.926 8.380 7.405 1.00 1.00 N ATOM 416 CA ALA A 27 115.221 8.615 8.647 1.00 1.00 C ATOM 417 C ALA A 27 115.897 9.708 9.435 1.00 1.00 C ATOM 418 O ALA A 27 115.238 10.532 10.068 1.00 1.00 O ATOM 419 CB ALA A 27 115.150 7.334 9.486 1.00 1.00 C ATOM 0 H ALA A 27 116.387 7.472 7.339 1.00 1.00 H new ATOM 0 HA ALA A 27 114.205 8.927 8.405 1.00 1.00 H new ATOM 0 HB1 ALA A 27 114.616 7.536 10.414 1.00 1.00 H new ATOM 0 HB2 ALA A 27 114.624 6.561 8.926 1.00 1.00 H new ATOM 0 HB3 ALA A 27 116.160 6.993 9.715 1.00 1.00 H new ATOM 425 N GLU A 28 117.212 9.709 9.391 1.00 1.00 N ATOM 426 CA GLU A 28 117.990 10.694 10.106 1.00 1.00 C ATOM 427 C GLU A 28 117.815 12.082 9.510 1.00 1.00 C ATOM 428 O GLU A 28 117.757 13.073 10.235 1.00 1.00 O ATOM 429 CB GLU A 28 119.457 10.308 10.051 1.00 1.00 C ATOM 430 CG GLU A 28 119.707 9.103 10.958 1.00 1.00 C ATOM 431 CD GLU A 28 119.773 9.540 12.419 1.00 1.00 C ATOM 432 OE1 GLU A 28 120.023 10.710 12.662 1.00 1.00 O ATOM 433 OE2 GLU A 28 119.574 8.695 13.275 1.00 1.00 O ATOM 0 H GLU A 28 117.766 9.034 8.864 1.00 1.00 H new ATOM 0 HA GLU A 28 117.640 10.720 11.138 1.00 1.00 H new ATOM 0 HB2 GLU A 28 119.742 10.069 9.026 1.00 1.00 H new ATOM 0 HB3 GLU A 28 120.076 11.148 10.367 1.00 1.00 H new ATOM 0 HG2 GLU A 28 118.911 8.370 10.827 1.00 1.00 H new ATOM 0 HG3 GLU A 28 120.640 8.615 10.676 1.00 1.00 H new ATOM 440 N ALA A 29 117.751 12.157 8.186 1.00 1.00 N ATOM 441 CA ALA A 29 117.602 13.434 7.508 1.00 1.00 C ATOM 442 C ALA A 29 116.323 14.144 7.876 1.00 1.00 C ATOM 443 O ALA A 29 116.313 15.357 8.085 1.00 1.00 O ATOM 444 CB ALA A 29 117.524 13.214 6.009 1.00 1.00 C ATOM 0 H ALA A 29 117.800 11.350 7.564 1.00 1.00 H new ATOM 0 HA ALA A 29 118.463 14.031 7.808 1.00 1.00 H new ATOM 0 HB1 ALA A 29 117.412 14.174 5.506 1.00 1.00 H new ATOM 0 HB2 ALA A 29 118.437 12.728 5.665 1.00 1.00 H new ATOM 0 HB3 ALA A 29 116.667 12.582 5.778 1.00 1.00 H new ATOM 450 N LEU A 30 115.238 13.402 7.884 1.00 1.00 N ATOM 451 CA LEU A 30 113.959 14.004 8.152 1.00 1.00 C ATOM 452 C LEU A 30 113.883 14.541 9.560 1.00 1.00 C ATOM 453 O LEU A 30 113.353 15.623 9.778 1.00 1.00 O ATOM 454 CB LEU A 30 112.839 13.005 7.895 1.00 1.00 C ATOM 455 CG LEU A 30 112.789 12.710 6.396 1.00 1.00 C ATOM 456 CD1 LEU A 30 112.271 11.289 6.172 1.00 1.00 C ATOM 457 CD2 LEU A 30 111.845 13.709 5.707 1.00 1.00 C ATOM 0 H LEU A 30 115.218 12.397 7.711 1.00 1.00 H new ATOM 0 HA LEU A 30 113.838 14.848 7.473 1.00 1.00 H new ATOM 0 HB2 LEU A 30 113.014 12.087 8.456 1.00 1.00 H new ATOM 0 HB3 LEU A 30 111.885 13.409 8.234 1.00 1.00 H new ATOM 0 HG LEU A 30 113.790 12.804 5.976 1.00 1.00 H new ATOM 0 HD11 LEU A 30 112.235 11.079 5.103 1.00 1.00 H new ATOM 0 HD12 LEU A 30 112.938 10.578 6.660 1.00 1.00 H new ATOM 0 HD13 LEU A 30 111.270 11.196 6.594 1.00 1.00 H new ATOM 0 HD21 LEU A 30 111.810 13.498 4.638 1.00 1.00 H new ATOM 0 HD22 LEU A 30 110.844 13.614 6.129 1.00 1.00 H new ATOM 0 HD23 LEU A 30 112.211 14.724 5.865 1.00 1.00 H new ATOM 469 N GLU A 31 114.402 13.794 10.523 1.00 1.00 N ATOM 470 CA GLU A 31 114.321 14.255 11.887 1.00 1.00 C ATOM 471 C GLU A 31 115.121 15.526 12.063 1.00 1.00 C ATOM 472 O GLU A 31 114.704 16.438 12.768 1.00 1.00 O ATOM 473 CB GLU A 31 114.748 13.191 12.885 1.00 1.00 C ATOM 474 CG GLU A 31 116.085 12.653 12.464 1.00 1.00 C ATOM 475 CD GLU A 31 116.568 11.594 13.452 1.00 1.00 C ATOM 476 OE1 GLU A 31 115.739 10.835 13.935 1.00 1.00 O ATOM 477 OE2 GLU A 31 117.759 11.557 13.717 1.00 1.00 O ATOM 0 H GLU A 31 114.867 12.897 10.387 1.00 1.00 H new ATOM 0 HA GLU A 31 113.273 14.472 12.096 1.00 1.00 H new ATOM 0 HB2 GLU A 31 114.809 13.614 13.888 1.00 1.00 H new ATOM 0 HB3 GLU A 31 114.011 12.389 12.922 1.00 1.00 H new ATOM 0 HG2 GLU A 31 116.012 12.222 11.466 1.00 1.00 H new ATOM 0 HG3 GLU A 31 116.810 13.465 12.409 1.00 1.00 H new ATOM 484 N HIS A 32 116.249 15.602 11.382 1.00 1.00 N ATOM 485 CA HIS A 32 117.047 16.804 11.462 1.00 1.00 C ATOM 486 C HIS A 32 116.296 17.962 10.831 1.00 1.00 C ATOM 487 O HIS A 32 116.257 19.066 11.380 1.00 1.00 O ATOM 488 CB HIS A 32 118.381 16.608 10.748 1.00 1.00 C ATOM 489 CG HIS A 32 119.394 16.152 11.754 1.00 1.00 C ATOM 490 ND1 HIS A 32 119.807 14.835 11.842 1.00 1.00 N ATOM 491 CD2 HIS A 32 120.051 16.822 12.753 1.00 1.00 C ATOM 492 CE1 HIS A 32 120.672 14.751 12.867 1.00 1.00 C ATOM 493 NE2 HIS A 32 120.855 15.935 13.459 1.00 1.00 N ATOM 0 H HIS A 32 116.623 14.866 10.783 1.00 1.00 H new ATOM 0 HA HIS A 32 117.240 17.025 12.512 1.00 1.00 H new ATOM 0 HB2 HIS A 32 118.280 15.871 9.951 1.00 1.00 H new ATOM 0 HB3 HIS A 32 118.702 17.540 10.282 1.00 1.00 H new ATOM 0 HD1 HIS A 32 119.509 14.068 11.239 1.00 1.00 H new ATOM 0 HD2 HIS A 32 119.958 17.878 12.960 1.00 1.00 H new ATOM 0 HE1 HIS A 32 121.160 13.838 13.175 1.00 1.00 H new ATOM 501 N SER A 33 115.715 17.701 9.663 1.00 1.00 N ATOM 502 CA SER A 33 114.972 18.708 8.926 1.00 1.00 C ATOM 503 C SER A 33 113.757 19.199 9.687 1.00 1.00 C ATOM 504 O SER A 33 113.423 20.379 9.635 1.00 1.00 O ATOM 505 CB SER A 33 114.544 18.129 7.588 1.00 1.00 C ATOM 506 OG SER A 33 115.699 17.622 6.954 1.00 1.00 O ATOM 0 H SER A 33 115.748 16.789 9.206 1.00 1.00 H new ATOM 0 HA SER A 33 115.627 19.567 8.778 1.00 1.00 H new ATOM 0 HB2 SER A 33 113.807 17.339 7.731 1.00 1.00 H new ATOM 0 HB3 SER A 33 114.074 18.895 6.972 1.00 1.00 H new ATOM 0 HG SER A 33 115.744 16.652 7.083 1.00 1.00 H new ATOM 512 N LYS A 34 113.099 18.307 10.410 1.00 1.00 N ATOM 513 CA LYS A 34 111.944 18.706 11.176 1.00 1.00 C ATOM 514 C LYS A 34 112.370 19.786 12.147 1.00 1.00 C ATOM 515 O LYS A 34 111.585 20.652 12.537 1.00 1.00 O ATOM 516 CB LYS A 34 111.380 17.509 11.943 1.00 1.00 C ATOM 517 CG LYS A 34 110.698 16.544 10.959 1.00 1.00 C ATOM 518 CD LYS A 34 110.418 15.191 11.628 1.00 1.00 C ATOM 519 CE LYS A 34 110.505 14.081 10.571 1.00 1.00 C ATOM 520 NZ LYS A 34 109.771 12.874 11.047 1.00 1.00 N ATOM 0 H LYS A 34 113.344 17.319 10.479 1.00 1.00 H new ATOM 0 HA LYS A 34 111.167 19.082 10.510 1.00 1.00 H new ATOM 0 HB2 LYS A 34 112.180 16.996 12.477 1.00 1.00 H new ATOM 0 HB3 LYS A 34 110.664 17.848 12.692 1.00 1.00 H new ATOM 0 HG2 LYS A 34 109.764 16.979 10.604 1.00 1.00 H new ATOM 0 HG3 LYS A 34 111.334 16.398 10.086 1.00 1.00 H new ATOM 0 HD2 LYS A 34 111.139 15.009 12.425 1.00 1.00 H new ATOM 0 HD3 LYS A 34 109.430 15.196 12.088 1.00 1.00 H new ATOM 0 HE2 LYS A 34 110.080 14.429 9.629 1.00 1.00 H new ATOM 0 HE3 LYS A 34 111.548 13.831 10.377 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 109.832 12.125 10.328 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 110.195 12.538 11.935 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 108.773 13.117 11.210 1.00 1.00 H new ATOM 534 N GLN A 35 113.625 19.686 12.568 1.00 1.00 N ATOM 535 CA GLN A 35 114.160 20.624 13.549 1.00 1.00 C ATOM 536 C GLN A 35 114.993 21.721 12.914 1.00 1.00 C ATOM 537 O GLN A 35 114.925 22.878 13.332 1.00 1.00 O ATOM 538 CB GLN A 35 115.038 19.865 14.538 1.00 1.00 C ATOM 539 CG GLN A 35 114.255 18.682 15.083 1.00 1.00 C ATOM 540 CD GLN A 35 115.111 17.885 16.066 1.00 1.00 C ATOM 541 OE1 GLN A 35 116.202 18.320 16.439 1.00 1.00 O ATOM 542 NE2 GLN A 35 114.680 16.732 16.506 1.00 1.00 N ATOM 0 H GLN A 35 114.284 18.975 12.251 1.00 1.00 H new ATOM 0 HA GLN A 35 113.310 21.092 14.045 1.00 1.00 H new ATOM 0 HB2 GLN A 35 115.948 19.521 14.047 1.00 1.00 H new ATOM 0 HB3 GLN A 35 115.344 20.522 15.352 1.00 1.00 H new ATOM 0 HG2 GLN A 35 113.351 19.034 15.580 1.00 1.00 H new ATOM 0 HG3 GLN A 35 113.938 18.039 14.262 1.00 1.00 H new ATOM 0 HE21 GLN A 35 113.777 16.373 16.196 1.00 1.00 H new ATOM 0 HE22 GLN A 35 115.247 16.191 17.159 1.00 1.00 H new ATOM 551 N ASP A 36 115.803 21.360 11.928 1.00 1.00 N ATOM 552 CA ASP A 36 116.683 22.321 11.266 1.00 1.00 C ATOM 553 C ASP A 36 116.085 22.887 9.975 1.00 1.00 C ATOM 554 O ASP A 36 116.476 23.964 9.524 1.00 1.00 O ATOM 555 CB ASP A 36 118.014 21.645 10.930 1.00 1.00 C ATOM 556 CG ASP A 36 118.780 21.302 12.205 1.00 1.00 C ATOM 557 OD1 ASP A 36 118.382 21.765 13.257 1.00 1.00 O ATOM 558 OD2 ASP A 36 119.755 20.576 12.106 1.00 1.00 O ATOM 0 H ASP A 36 115.871 20.409 11.567 1.00 1.00 H new ATOM 0 HA ASP A 36 116.823 23.151 11.959 1.00 1.00 H new ATOM 0 HB2 ASP A 36 117.832 20.738 10.354 1.00 1.00 H new ATOM 0 HB3 ASP A 36 118.615 22.305 10.305 1.00 1.00 H new ATOM 563 N HIS A 37 115.127 22.171 9.392 1.00 1.00 N ATOM 564 CA HIS A 37 114.469 22.629 8.169 1.00 1.00 C ATOM 565 C HIS A 37 115.370 22.556 6.937 1.00 1.00 C ATOM 566 O HIS A 37 115.057 23.149 5.908 1.00 1.00 O ATOM 567 CB HIS A 37 113.989 24.073 8.333 1.00 1.00 C ATOM 568 CG HIS A 37 113.610 24.322 9.765 1.00 1.00 C ATOM 569 ND1 HIS A 37 114.350 25.150 10.598 1.00 1.00 N ATOM 570 CD2 HIS A 37 112.578 23.846 10.530 1.00 1.00 C ATOM 571 CE1 HIS A 37 113.754 25.141 11.809 1.00 1.00 C ATOM 572 NE2 HIS A 37 112.671 24.362 11.819 1.00 1.00 N ATOM 0 H HIS A 37 114.789 21.275 9.744 1.00 1.00 H new ATOM 0 HA HIS A 37 113.628 21.954 8.010 1.00 1.00 H new ATOM 0 HB2 HIS A 37 114.775 24.764 8.030 1.00 1.00 H new ATOM 0 HB3 HIS A 37 113.134 24.258 7.683 1.00 1.00 H new ATOM 0 HD1 HIS A 37 115.190 25.670 10.342 1.00 1.00 H new ATOM 0 HD2 HIS A 37 111.808 23.172 10.185 1.00 1.00 H new ATOM 0 HE1 HIS A 37 114.110 25.696 12.664 1.00 1.00 H new ATOM 580 N LYS A 38 116.502 21.862 7.039 1.00 1.00 N ATOM 581 CA LYS A 38 117.419 21.785 5.905 1.00 1.00 C ATOM 582 C LYS A 38 116.854 20.856 4.812 1.00 1.00 C ATOM 583 O LYS A 38 116.420 19.747 5.126 1.00 1.00 O ATOM 584 CB LYS A 38 118.784 21.267 6.376 1.00 1.00 C ATOM 585 CG LYS A 38 119.299 22.142 7.522 1.00 1.00 C ATOM 586 CD LYS A 38 120.543 22.907 7.067 1.00 1.00 C ATOM 587 CE LYS A 38 121.010 23.820 8.198 1.00 1.00 C ATOM 588 NZ LYS A 38 120.121 25.011 8.255 1.00 1.00 N ATOM 0 H LYS A 38 116.801 21.357 7.873 1.00 1.00 H new ATOM 0 HA LYS A 38 117.537 22.783 5.484 1.00 1.00 H new ATOM 0 HB2 LYS A 38 118.697 20.232 6.706 1.00 1.00 H new ATOM 0 HB3 LYS A 38 119.494 21.279 5.549 1.00 1.00 H new ATOM 0 HG2 LYS A 38 118.524 22.842 7.835 1.00 1.00 H new ATOM 0 HG3 LYS A 38 119.537 21.523 8.387 1.00 1.00 H new ATOM 0 HD2 LYS A 38 121.335 22.209 6.796 1.00 1.00 H new ATOM 0 HD3 LYS A 38 120.318 23.495 6.177 1.00 1.00 H new ATOM 0 HE2 LYS A 38 120.986 23.286 9.148 1.00 1.00 H new ATOM 0 HE3 LYS A 38 122.042 24.128 8.032 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 120.551 25.737 8.863 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 119.992 25.394 7.297 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 119.197 24.736 8.645 1.00 1.00 H new ATOM 602 N PRO A 39 116.847 21.256 3.541 1.00 1.00 N ATOM 603 CA PRO A 39 116.318 20.382 2.447 1.00 1.00 C ATOM 604 C PRO A 39 117.065 19.058 2.365 1.00 1.00 C ATOM 605 O PRO A 39 118.235 18.978 2.738 1.00 1.00 O ATOM 606 CB PRO A 39 116.549 21.166 1.155 1.00 1.00 C ATOM 607 CG PRO A 39 116.853 22.568 1.552 1.00 1.00 C ATOM 608 CD PRO A 39 117.320 22.551 3.007 1.00 1.00 C ATOM 0 HA PRO A 39 115.269 20.143 2.624 1.00 1.00 H new ATOM 0 HB2 PRO A 39 117.374 20.738 0.585 1.00 1.00 H new ATOM 0 HB3 PRO A 39 115.667 21.128 0.516 1.00 1.00 H new ATOM 0 HG2 PRO A 39 117.625 22.988 0.908 1.00 1.00 H new ATOM 0 HG3 PRO A 39 115.969 23.196 1.442 1.00 1.00 H new ATOM 0 HD2 PRO A 39 118.405 22.634 3.075 1.00 1.00 H new ATOM 0 HD3 PRO A 39 116.900 23.387 3.567 1.00 1.00 H new ATOM 616 N ILE A 40 116.381 18.018 1.893 1.00 1.00 N ATOM 617 CA ILE A 40 117.004 16.704 1.787 1.00 1.00 C ATOM 618 C ILE A 40 117.228 16.348 0.322 1.00 1.00 C ATOM 619 O ILE A 40 116.296 16.393 -0.482 1.00 1.00 O ATOM 620 CB ILE A 40 116.112 15.628 2.412 1.00 1.00 C ATOM 621 CG1 ILE A 40 115.320 16.208 3.595 1.00 1.00 C ATOM 622 CG2 ILE A 40 116.998 14.492 2.912 1.00 1.00 C ATOM 623 CD1 ILE A 40 114.403 15.130 4.199 1.00 1.00 C ATOM 0 H ILE A 40 115.410 18.059 1.583 1.00 1.00 H new ATOM 0 HA ILE A 40 117.956 16.743 2.317 1.00 1.00 H new ATOM 0 HB ILE A 40 115.408 15.264 1.664 1.00 1.00 H new ATOM 0 HG12 ILE A 40 116.007 16.579 4.355 1.00 1.00 H new ATOM 0 HG13 ILE A 40 114.724 17.058 3.262 1.00 1.00 H new ATOM 0 HG21 ILE A 40 116.377 13.717 3.361 1.00 1.00 H new ATOM 0 HG22 ILE A 40 117.556 14.071 2.076 1.00 1.00 H new ATOM 0 HG23 ILE A 40 117.695 14.875 3.658 1.00 1.00 H new ATOM 0 HD11 ILE A 40 113.847 15.552 5.036 1.00 1.00 H new ATOM 0 HD12 ILE A 40 113.704 14.779 3.439 1.00 1.00 H new ATOM 0 HD13 ILE A 40 115.007 14.293 4.550 1.00 1.00 H new ATOM 635 N GLY A 41 118.449 15.958 -0.015 1.00 1.00 N ATOM 636 CA GLY A 41 118.764 15.555 -1.376 1.00 1.00 C ATOM 637 C GLY A 41 118.885 14.033 -1.444 1.00 1.00 C ATOM 638 O GLY A 41 119.816 13.457 -0.878 1.00 1.00 O ATOM 0 H GLY A 41 119.235 15.912 0.634 1.00 1.00 H new ATOM 0 HA2 GLY A 41 117.986 15.899 -2.057 1.00 1.00 H new ATOM 0 HA3 GLY A 41 119.697 16.019 -1.697 1.00 1.00 H new ATOM 642 N LEU A 42 117.967 13.381 -2.169 1.00 1.00 N ATOM 643 CA LEU A 42 118.036 11.934 -2.332 1.00 1.00 C ATOM 644 C LEU A 42 118.774 11.648 -3.632 1.00 1.00 C ATOM 645 O LEU A 42 118.320 12.029 -4.711 1.00 1.00 O ATOM 646 CB LEU A 42 116.640 11.277 -2.434 1.00 1.00 C ATOM 647 CG LEU A 42 115.779 11.533 -1.193 1.00 1.00 C ATOM 648 CD1 LEU A 42 115.658 13.016 -0.906 1.00 1.00 C ATOM 649 CD2 LEU A 42 114.368 11.002 -1.441 1.00 1.00 C ATOM 0 H LEU A 42 117.182 13.829 -2.643 1.00 1.00 H new ATOM 0 HA LEU A 42 118.540 11.523 -1.457 1.00 1.00 H new ATOM 0 HB2 LEU A 42 116.125 11.660 -3.315 1.00 1.00 H new ATOM 0 HB3 LEU A 42 116.757 10.203 -2.576 1.00 1.00 H new ATOM 0 HG LEU A 42 116.255 11.033 -0.349 1.00 1.00 H new ATOM 0 HD11 LEU A 42 115.041 13.166 -0.020 1.00 1.00 H new ATOM 0 HD12 LEU A 42 116.649 13.435 -0.734 1.00 1.00 H new ATOM 0 HD13 LEU A 42 115.196 13.515 -1.758 1.00 1.00 H new ATOM 0 HD21 LEU A 42 113.751 11.182 -0.560 1.00 1.00 H new ATOM 0 HD22 LEU A 42 113.932 11.513 -2.299 1.00 1.00 H new ATOM 0 HD23 LEU A 42 114.412 9.931 -1.640 1.00 1.00 H new ATOM 661 N PHE A 43 119.917 10.988 -3.523 1.00 1.00 N ATOM 662 CA PHE A 43 120.725 10.667 -4.698 1.00 1.00 C ATOM 663 C PHE A 43 120.339 9.275 -5.212 1.00 1.00 C ATOM 664 O PHE A 43 120.700 8.268 -4.596 1.00 1.00 O ATOM 665 CB PHE A 43 122.206 10.717 -4.294 1.00 1.00 C ATOM 666 CG PHE A 43 123.131 10.664 -5.495 1.00 1.00 C ATOM 667 CD1 PHE A 43 123.149 11.720 -6.417 1.00 1.00 C ATOM 668 CD2 PHE A 43 124.006 9.580 -5.659 1.00 1.00 C ATOM 669 CE1 PHE A 43 124.038 11.691 -7.500 1.00 1.00 C ATOM 670 CE2 PHE A 43 124.888 9.552 -6.744 1.00 1.00 C ATOM 671 CZ PHE A 43 124.906 10.608 -7.663 1.00 1.00 C ATOM 0 H PHE A 43 120.308 10.664 -2.638 1.00 1.00 H new ATOM 0 HA PHE A 43 120.550 11.385 -5.499 1.00 1.00 H new ATOM 0 HB2 PHE A 43 122.396 11.631 -3.731 1.00 1.00 H new ATOM 0 HB3 PHE A 43 122.428 9.882 -3.630 1.00 1.00 H new ATOM 0 HD1 PHE A 43 122.477 12.556 -6.293 1.00 1.00 H new ATOM 0 HD2 PHE A 43 123.999 8.767 -4.948 1.00 1.00 H new ATOM 0 HE1 PHE A 43 124.052 12.506 -8.209 1.00 1.00 H new ATOM 0 HE2 PHE A 43 125.557 8.714 -6.873 1.00 1.00 H new ATOM 0 HZ PHE A 43 125.591 10.586 -8.498 1.00 1.00 H new ATOM 681 N PHE A 44 119.627 9.220 -6.353 1.00 1.00 N ATOM 682 CA PHE A 44 119.210 7.956 -6.978 1.00 1.00 C ATOM 683 C PHE A 44 120.215 7.578 -8.062 1.00 1.00 C ATOM 684 O PHE A 44 120.409 8.334 -9.015 1.00 1.00 O ATOM 685 CB PHE A 44 117.809 8.113 -7.577 1.00 1.00 C ATOM 686 CG PHE A 44 116.783 7.974 -6.477 1.00 1.00 C ATOM 687 CD1 PHE A 44 116.294 6.705 -6.159 1.00 1.00 C ATOM 688 CD2 PHE A 44 116.325 9.101 -5.773 1.00 1.00 C ATOM 689 CE1 PHE A 44 115.350 6.551 -5.141 1.00 1.00 C ATOM 690 CE2 PHE A 44 115.376 8.943 -4.753 1.00 1.00 C ATOM 691 CZ PHE A 44 114.891 7.669 -4.441 1.00 1.00 C ATOM 0 H PHE A 44 119.326 10.050 -6.865 1.00 1.00 H new ATOM 0 HA PHE A 44 119.179 7.165 -6.229 1.00 1.00 H new ATOM 0 HB2 PHE A 44 117.713 9.086 -8.060 1.00 1.00 H new ATOM 0 HB3 PHE A 44 117.642 7.358 -8.345 1.00 1.00 H new ATOM 0 HD1 PHE A 44 116.647 5.840 -6.702 1.00 1.00 H new ATOM 0 HD2 PHE A 44 116.702 10.083 -6.016 1.00 1.00 H new ATOM 0 HE1 PHE A 44 114.975 5.568 -4.895 1.00 1.00 H new ATOM 0 HE2 PHE A 44 115.020 9.805 -4.208 1.00 1.00 H new ATOM 0 HZ PHE A 44 114.159 7.549 -3.656 1.00 1.00 H new ATOM 701 N THR A 45 120.852 6.409 -7.910 1.00 1.00 N ATOM 702 CA THR A 45 121.847 5.984 -8.892 1.00 1.00 C ATOM 703 C THR A 45 122.023 4.471 -9.002 1.00 1.00 C ATOM 704 O THR A 45 121.367 3.694 -8.312 1.00 1.00 O ATOM 705 CB THR A 45 123.193 6.634 -8.563 1.00 1.00 C ATOM 706 OG1 THR A 45 123.490 6.431 -7.188 1.00 1.00 O ATOM 707 CG2 THR A 45 123.121 8.134 -8.851 1.00 1.00 C ATOM 0 H THR A 45 120.700 5.760 -7.138 1.00 1.00 H new ATOM 0 HA THR A 45 121.474 6.312 -9.862 1.00 1.00 H new ATOM 0 HB THR A 45 123.974 6.184 -9.177 1.00 1.00 H new ATOM 0 HG1 THR A 45 123.831 7.264 -6.801 1.00 1.00 H new ATOM 0 HG21 THR A 45 124.080 8.596 -8.616 1.00 1.00 H new ATOM 0 HG22 THR A 45 122.890 8.292 -9.905 1.00 1.00 H new ATOM 0 HG23 THR A 45 122.341 8.585 -8.238 1.00 1.00 H new ATOM 715 N GLY A 46 122.983 4.088 -9.832 1.00 1.00 N ATOM 716 CA GLY A 46 123.363 2.696 -10.023 1.00 1.00 C ATOM 717 C GLY A 46 124.878 2.645 -9.917 1.00 1.00 C ATOM 718 O GLY A 46 125.598 2.807 -10.900 1.00 1.00 O ATOM 0 H GLY A 46 123.525 4.742 -10.397 1.00 1.00 H new ATOM 0 HA2 GLY A 46 122.900 2.060 -9.269 1.00 1.00 H new ATOM 0 HA3 GLY A 46 123.029 2.332 -10.995 1.00 1.00 H new ATOM 722 N SER A 47 125.348 2.482 -8.694 1.00 1.00 N ATOM 723 CA SER A 47 126.776 2.505 -8.402 1.00 1.00 C ATOM 724 C SER A 47 127.653 1.600 -9.274 1.00 1.00 C ATOM 725 O SER A 47 128.781 1.978 -9.584 1.00 1.00 O ATOM 726 CB SER A 47 126.986 2.136 -6.933 1.00 1.00 C ATOM 727 OG SER A 47 126.289 3.066 -6.113 1.00 1.00 O ATOM 0 H SER A 47 124.757 2.330 -7.877 1.00 1.00 H new ATOM 0 HA SER A 47 127.099 3.520 -8.631 1.00 1.00 H new ATOM 0 HB2 SER A 47 126.625 1.125 -6.744 1.00 1.00 H new ATOM 0 HB3 SER A 47 128.049 2.145 -6.692 1.00 1.00 H new ATOM 0 HG SER A 47 126.331 2.774 -5.178 1.00 1.00 H new ATOM 733 N ASP A 48 127.190 0.403 -9.628 1.00 1.00 N ATOM 734 CA ASP A 48 128.021 -0.523 -10.403 1.00 1.00 C ATOM 735 C ASP A 48 127.677 -0.622 -11.897 1.00 1.00 C ATOM 736 O ASP A 48 128.338 -1.393 -12.600 1.00 1.00 O ATOM 737 CB ASP A 48 127.889 -1.918 -9.786 1.00 1.00 C ATOM 738 CG ASP A 48 128.603 -1.981 -8.438 1.00 1.00 C ATOM 739 OD1 ASP A 48 129.413 -1.109 -8.174 1.00 1.00 O ATOM 740 OD2 ASP A 48 128.335 -2.909 -7.691 1.00 1.00 O ATOM 0 H ASP A 48 126.260 0.053 -9.397 1.00 1.00 H new ATOM 0 HA ASP A 48 129.035 -0.126 -10.356 1.00 1.00 H new ATOM 0 HB2 ASP A 48 126.835 -2.166 -9.657 1.00 1.00 H new ATOM 0 HB3 ASP A 48 128.311 -2.662 -10.462 1.00 1.00 H new ATOM 745 N TRP A 49 126.638 0.068 -12.393 1.00 1.00 N ATOM 746 CA TRP A 49 126.279 -0.105 -13.810 1.00 1.00 C ATOM 747 C TRP A 49 125.993 1.178 -14.590 1.00 1.00 C ATOM 748 O TRP A 49 126.111 1.166 -15.817 1.00 1.00 O ATOM 749 CB TRP A 49 125.067 -1.018 -13.907 1.00 1.00 C ATOM 750 CG TRP A 49 123.984 -0.528 -12.997 1.00 1.00 C ATOM 751 CD1 TRP A 49 124.055 -0.507 -11.647 1.00 1.00 C ATOM 752 CD2 TRP A 49 122.671 -0.004 -13.347 1.00 1.00 C ATOM 753 NE1 TRP A 49 122.875 -0.008 -11.146 1.00 1.00 N ATOM 754 CE2 TRP A 49 121.983 0.319 -12.154 1.00 1.00 C ATOM 755 CE3 TRP A 49 122.019 0.218 -14.570 1.00 1.00 C ATOM 756 CZ2 TRP A 49 120.688 0.847 -12.177 1.00 1.00 C ATOM 757 CZ3 TRP A 49 120.717 0.747 -14.599 1.00 1.00 C ATOM 758 CH2 TRP A 49 120.054 1.060 -13.405 1.00 1.00 C ATOM 0 H TRP A 49 126.057 0.720 -11.866 1.00 1.00 H new ATOM 0 HA TRP A 49 127.167 -0.532 -14.276 1.00 1.00 H new ATOM 0 HB2 TRP A 49 124.705 -1.047 -14.935 1.00 1.00 H new ATOM 0 HB3 TRP A 49 125.346 -2.037 -13.638 1.00 1.00 H new ATOM 0 HD1 TRP A 49 124.901 -0.830 -11.058 1.00 1.00 H new ATOM 0 HE1 TRP A 49 122.680 0.107 -10.151 1.00 1.00 H new ATOM 0 HE3 TRP A 49 122.522 -0.019 -15.496 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 120.182 1.088 -11.254 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 120.225 0.913 -15.546 1.00 1.00 H new ATOM 0 HH2 TRP A 49 119.053 1.466 -13.433 1.00 1.00 H new ATOM 769 N CYS A 50 125.641 2.280 -13.935 1.00 1.00 N ATOM 770 CA CYS A 50 125.386 3.521 -14.676 1.00 1.00 C ATOM 771 C CYS A 50 126.654 4.375 -14.673 1.00 1.00 C ATOM 772 O CYS A 50 127.446 4.300 -13.735 1.00 1.00 O ATOM 773 CB CYS A 50 124.202 4.303 -14.081 1.00 1.00 C ATOM 774 SG CYS A 50 124.504 4.694 -12.347 1.00 1.00 S ATOM 0 H CYS A 50 125.527 2.346 -12.924 1.00 1.00 H new ATOM 0 HA CYS A 50 125.118 3.267 -15.702 1.00 1.00 H new ATOM 0 HB2 CYS A 50 124.047 5.223 -14.645 1.00 1.00 H new ATOM 0 HB3 CYS A 50 123.289 3.715 -14.173 1.00 1.00 H new ATOM 779 N MET A 51 126.876 5.144 -15.742 1.00 1.00 N ATOM 780 CA MET A 51 128.091 5.957 -15.845 1.00 1.00 C ATOM 781 C MET A 51 127.824 7.449 -15.640 1.00 1.00 C ATOM 782 O MET A 51 128.651 8.147 -15.057 1.00 1.00 O ATOM 783 CB MET A 51 128.730 5.744 -17.211 1.00 1.00 C ATOM 784 CG MET A 51 130.077 6.460 -17.253 1.00 1.00 C ATOM 785 SD MET A 51 130.887 6.115 -18.834 1.00 1.00 S ATOM 786 CE MET A 51 132.576 5.945 -18.206 1.00 1.00 C ATOM 0 H MET A 51 126.242 5.221 -16.537 1.00 1.00 H new ATOM 0 HA MET A 51 128.762 5.634 -15.049 1.00 1.00 H new ATOM 0 HB2 MET A 51 128.865 4.679 -17.400 1.00 1.00 H new ATOM 0 HB3 MET A 51 128.077 6.127 -17.995 1.00 1.00 H new ATOM 0 HG2 MET A 51 129.935 7.534 -17.130 1.00 1.00 H new ATOM 0 HG3 MET A 51 130.706 6.125 -16.428 1.00 1.00 H new ATOM 0 HE1 MET A 51 133.251 5.726 -19.033 1.00 1.00 H new ATOM 0 HE2 MET A 51 132.881 6.874 -17.725 1.00 1.00 H new ATOM 0 HE3 MET A 51 132.615 5.132 -17.481 1.00 1.00 H new ATOM 796 N TRP A 52 126.687 7.945 -16.123 1.00 1.00 N ATOM 797 CA TRP A 52 126.359 9.358 -15.971 1.00 1.00 C ATOM 798 C TRP A 52 126.260 9.677 -14.491 1.00 1.00 C ATOM 799 O TRP A 52 126.513 10.804 -14.063 1.00 1.00 O ATOM 800 CB TRP A 52 125.025 9.679 -16.662 1.00 1.00 C ATOM 801 CG TRP A 52 125.224 9.773 -18.142 1.00 1.00 C ATOM 802 CD1 TRP A 52 126.234 9.189 -18.829 1.00 1.00 C ATOM 803 CD2 TRP A 52 124.418 10.485 -19.130 1.00 1.00 C ATOM 804 NE1 TRP A 52 126.099 9.492 -20.170 1.00 1.00 N ATOM 805 CE2 TRP A 52 124.996 10.288 -20.406 1.00 1.00 C ATOM 806 CE3 TRP A 52 123.254 11.273 -19.045 1.00 1.00 C ATOM 807 CZ2 TRP A 52 124.440 10.851 -21.557 1.00 1.00 C ATOM 808 CZ3 TRP A 52 122.692 11.841 -20.202 1.00 1.00 C ATOM 809 CH2 TRP A 52 123.286 11.630 -21.454 1.00 1.00 C ATOM 0 H TRP A 52 125.985 7.395 -16.618 1.00 1.00 H new ATOM 0 HA TRP A 52 127.139 9.963 -16.435 1.00 1.00 H new ATOM 0 HB2 TRP A 52 124.292 8.905 -16.434 1.00 1.00 H new ATOM 0 HB3 TRP A 52 124.625 10.618 -16.280 1.00 1.00 H new ATOM 0 HD1 TRP A 52 127.018 8.584 -18.398 1.00 1.00 H new ATOM 0 HE1 TRP A 52 126.736 9.167 -20.897 1.00 1.00 H new ATOM 0 HE3 TRP A 52 122.790 11.442 -18.085 1.00 1.00 H new ATOM 0 HZ2 TRP A 52 124.900 10.685 -22.520 1.00 1.00 H new ATOM 0 HZ3 TRP A 52 121.798 12.443 -20.126 1.00 1.00 H new ATOM 0 HH2 TRP A 52 122.851 12.070 -22.339 1.00 1.00 H new ATOM 820 N CYS A 53 125.909 8.663 -13.718 1.00 1.00 N ATOM 821 CA CYS A 53 125.791 8.816 -12.282 1.00 1.00 C ATOM 822 C CYS A 53 127.158 9.035 -11.688 1.00 1.00 C ATOM 823 O CYS A 53 127.339 9.882 -10.816 1.00 1.00 O ATOM 824 CB CYS A 53 125.194 7.563 -11.649 1.00 1.00 C ATOM 825 SG CYS A 53 125.940 6.105 -12.414 1.00 1.00 S ATOM 0 H CYS A 53 125.701 7.726 -14.063 1.00 1.00 H new ATOM 0 HA CYS A 53 125.140 9.668 -12.084 1.00 1.00 H new ATOM 0 HB2 CYS A 53 125.378 7.560 -10.575 1.00 1.00 H new ATOM 0 HB3 CYS A 53 124.113 7.550 -11.788 1.00 1.00 H new ATOM 830 N ILE A 54 128.121 8.267 -12.170 1.00 1.00 N ATOM 831 CA ILE A 54 129.467 8.393 -11.673 1.00 1.00 C ATOM 832 C ILE A 54 129.943 9.790 -11.975 1.00 1.00 C ATOM 833 O ILE A 54 130.562 10.437 -11.138 1.00 1.00 O ATOM 834 CB ILE A 54 130.393 7.404 -12.362 1.00 1.00 C ATOM 835 CG1 ILE A 54 129.976 5.974 -12.001 1.00 1.00 C ATOM 836 CG2 ILE A 54 131.826 7.655 -11.890 1.00 1.00 C ATOM 837 CD1 ILE A 54 130.784 4.967 -12.828 1.00 1.00 C ATOM 0 H ILE A 54 127.992 7.561 -12.895 1.00 1.00 H new ATOM 0 HA ILE A 54 129.477 8.190 -10.602 1.00 1.00 H new ATOM 0 HB ILE A 54 130.333 7.532 -13.443 1.00 1.00 H new ATOM 0 HG12 ILE A 54 130.138 5.797 -10.938 1.00 1.00 H new ATOM 0 HG13 ILE A 54 128.911 5.839 -12.188 1.00 1.00 H new ATOM 0 HG21 ILE A 54 132.499 6.950 -12.379 1.00 1.00 H new ATOM 0 HG22 ILE A 54 132.120 8.673 -12.145 1.00 1.00 H new ATOM 0 HG23 ILE A 54 131.882 7.521 -10.810 1.00 1.00 H new ATOM 0 HD11 ILE A 54 130.481 3.954 -12.565 1.00 1.00 H new ATOM 0 HD12 ILE A 54 130.600 5.137 -13.889 1.00 1.00 H new ATOM 0 HD13 ILE A 54 131.846 5.094 -12.619 1.00 1.00 H new ATOM 849 N LYS A 55 129.675 10.252 -13.190 1.00 1.00 N ATOM 850 CA LYS A 55 130.109 11.569 -13.592 1.00 1.00 C ATOM 851 C LYS A 55 129.483 12.644 -12.729 1.00 1.00 C ATOM 852 O LYS A 55 130.181 13.540 -12.263 1.00 1.00 O ATOM 853 CB LYS A 55 129.752 11.813 -15.055 1.00 1.00 C ATOM 854 CG LYS A 55 130.427 10.772 -15.957 1.00 1.00 C ATOM 855 CD LYS A 55 131.941 11.010 -16.029 1.00 1.00 C ATOM 856 CE LYS A 55 132.552 10.024 -17.015 1.00 1.00 C ATOM 857 NZ LYS A 55 134.016 10.270 -17.097 1.00 1.00 N ATOM 0 H LYS A 55 129.163 9.733 -13.904 1.00 1.00 H new ATOM 0 HA LYS A 55 131.191 11.617 -13.466 1.00 1.00 H new ATOM 0 HB2 LYS A 55 128.671 11.767 -15.184 1.00 1.00 H new ATOM 0 HB3 LYS A 55 130.065 12.815 -15.349 1.00 1.00 H new ATOM 0 HG2 LYS A 55 130.230 9.771 -15.574 1.00 1.00 H new ATOM 0 HG3 LYS A 55 129.999 10.820 -16.958 1.00 1.00 H new ATOM 0 HD2 LYS A 55 132.147 12.033 -16.344 1.00 1.00 H new ATOM 0 HD3 LYS A 55 132.389 10.883 -15.044 1.00 1.00 H new ATOM 0 HE2 LYS A 55 132.359 9.001 -16.693 1.00 1.00 H new ATOM 0 HE3 LYS A 55 132.094 10.141 -17.997 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 134.443 9.601 -17.769 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 134.187 11.243 -17.422 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 134.443 10.138 -16.158 1.00 1.00 H new ATOM 871 N MET A 56 128.172 12.556 -12.491 1.00 1.00 N ATOM 872 CA MET A 56 127.504 13.539 -11.663 1.00 1.00 C ATOM 873 C MET A 56 128.101 13.506 -10.282 1.00 1.00 C ATOM 874 O MET A 56 128.415 14.535 -9.689 1.00 1.00 O ATOM 875 CB MET A 56 126.008 13.247 -11.573 1.00 1.00 C ATOM 876 CG MET A 56 125.336 14.325 -10.718 1.00 1.00 C ATOM 877 SD MET A 56 123.548 14.077 -10.702 1.00 1.00 S ATOM 878 CE MET A 56 123.201 15.262 -9.384 1.00 1.00 C ATOM 0 H MET A 56 127.567 11.822 -12.858 1.00 1.00 H new ATOM 0 HA MET A 56 127.639 14.524 -12.110 1.00 1.00 H new ATOM 0 HB2 MET A 56 125.568 13.230 -12.570 1.00 1.00 H new ATOM 0 HB3 MET A 56 125.843 12.263 -11.135 1.00 1.00 H new ATOM 0 HG2 MET A 56 125.725 14.289 -9.701 1.00 1.00 H new ATOM 0 HG3 MET A 56 125.571 15.313 -11.114 1.00 1.00 H new ATOM 0 HE1 MET A 56 122.171 15.608 -9.468 1.00 1.00 H new ATOM 0 HE2 MET A 56 123.345 14.782 -8.416 1.00 1.00 H new ATOM 0 HE3 MET A 56 123.878 16.112 -9.472 1.00 1.00 H new ATOM 888 N GLN A 57 128.253 12.292 -9.781 1.00 1.00 N ATOM 889 CA GLN A 57 128.807 12.085 -8.470 1.00 1.00 C ATOM 890 C GLN A 57 130.255 12.547 -8.438 1.00 1.00 C ATOM 891 O GLN A 57 130.662 13.260 -7.524 1.00 1.00 O ATOM 892 CB GLN A 57 128.709 10.598 -8.105 1.00 1.00 C ATOM 893 CG GLN A 57 129.815 10.252 -7.121 1.00 1.00 C ATOM 894 CD GLN A 57 129.535 8.910 -6.464 1.00 1.00 C ATOM 895 OE1 GLN A 57 128.411 8.412 -6.511 1.00 1.00 O ATOM 896 NE2 GLN A 57 130.505 8.290 -5.851 1.00 1.00 N ATOM 0 H GLN A 57 127.996 11.435 -10.272 1.00 1.00 H new ATOM 0 HA GLN A 57 128.244 12.668 -7.741 1.00 1.00 H new ATOM 0 HB2 GLN A 57 127.735 10.382 -7.666 1.00 1.00 H new ATOM 0 HB3 GLN A 57 128.798 9.984 -9.001 1.00 1.00 H new ATOM 0 HG2 GLN A 57 130.774 10.218 -7.638 1.00 1.00 H new ATOM 0 HG3 GLN A 57 129.890 11.029 -6.360 1.00 1.00 H new ATOM 0 HE21 GLN A 57 131.435 8.708 -5.815 1.00 1.00 H new ATOM 0 HE22 GLN A 57 130.334 7.388 -5.408 1.00 1.00 H new ATOM 905 N ASP A 58 131.033 12.141 -9.421 1.00 1.00 N ATOM 906 CA ASP A 58 132.434 12.512 -9.462 1.00 1.00 C ATOM 907 C ASP A 58 132.634 13.991 -9.760 1.00 1.00 C ATOM 908 O ASP A 58 133.545 14.618 -9.218 1.00 1.00 O ATOM 909 CB ASP A 58 133.142 11.690 -10.534 1.00 1.00 C ATOM 910 CG ASP A 58 134.598 12.119 -10.642 1.00 1.00 C ATOM 911 OD1 ASP A 58 135.069 12.771 -9.726 1.00 1.00 O ATOM 912 OD2 ASP A 58 135.217 11.797 -11.643 1.00 1.00 O ATOM 0 H ASP A 58 130.722 11.558 -10.198 1.00 1.00 H new ATOM 0 HA ASP A 58 132.854 12.312 -8.476 1.00 1.00 H new ATOM 0 HB2 ASP A 58 133.084 10.630 -10.288 1.00 1.00 H new ATOM 0 HB3 ASP A 58 132.643 11.822 -11.494 1.00 1.00 H new ATOM 917 N GLN A 59 131.835 14.536 -10.659 1.00 1.00 N ATOM 918 CA GLN A 59 132.013 15.928 -11.041 1.00 1.00 C ATOM 919 C GLN A 59 131.258 16.932 -10.171 1.00 1.00 C ATOM 920 O GLN A 59 131.681 18.079 -10.093 1.00 1.00 O ATOM 921 CB GLN A 59 131.574 16.119 -12.492 1.00 1.00 C ATOM 922 CG GLN A 59 132.492 15.314 -13.414 1.00 1.00 C ATOM 923 CD GLN A 59 132.001 15.384 -14.855 1.00 1.00 C ATOM 924 OE1 GLN A 59 131.005 16.045 -15.145 1.00 1.00 O ATOM 925 NE2 GLN A 59 132.653 14.736 -15.779 1.00 1.00 N ATOM 0 H GLN A 59 131.072 14.050 -11.130 1.00 1.00 H new ATOM 0 HA GLN A 59 133.074 16.134 -10.903 1.00 1.00 H new ATOM 0 HB2 GLN A 59 130.541 15.794 -12.616 1.00 1.00 H new ATOM 0 HB3 GLN A 59 131.610 17.175 -12.758 1.00 1.00 H new ATOM 0 HG2 GLN A 59 133.509 15.701 -13.352 1.00 1.00 H new ATOM 0 HG3 GLN A 59 132.526 14.275 -13.086 1.00 1.00 H new ATOM 0 HE21 GLN A 59 133.478 14.189 -15.533 1.00 1.00 H new ATOM 0 HE22 GLN A 59 132.338 14.775 -16.748 1.00 1.00 H new ATOM 934 N ILE A 60 130.126 16.550 -9.574 1.00 1.00 N ATOM 935 CA ILE A 60 129.359 17.525 -8.784 1.00 1.00 C ATOM 936 C ILE A 60 129.300 17.173 -7.306 1.00 1.00 C ATOM 937 O ILE A 60 129.626 18.017 -6.480 1.00 1.00 O ATOM 938 CB ILE A 60 127.930 17.630 -9.346 1.00 1.00 C ATOM 939 CG1 ILE A 60 127.998 18.148 -10.788 1.00 1.00 C ATOM 940 CG2 ILE A 60 127.084 18.598 -8.496 1.00 1.00 C ATOM 941 CD1 ILE A 60 126.634 17.983 -11.462 1.00 1.00 C ATOM 0 H ILE A 60 129.729 15.611 -9.616 1.00 1.00 H new ATOM 0 HA ILE A 60 129.875 18.482 -8.865 1.00 1.00 H new ATOM 0 HB ILE A 60 127.465 16.645 -9.320 1.00 1.00 H new ATOM 0 HG12 ILE A 60 128.292 19.197 -10.794 1.00 1.00 H new ATOM 0 HG13 ILE A 60 128.758 17.601 -11.345 1.00 1.00 H new ATOM 0 HG21 ILE A 60 126.077 18.659 -8.909 1.00 1.00 H new ATOM 0 HG22 ILE A 60 127.034 18.233 -7.470 1.00 1.00 H new ATOM 0 HG23 ILE A 60 127.542 19.587 -8.507 1.00 1.00 H new ATOM 0 HD11 ILE A 60 126.687 18.352 -12.486 1.00 1.00 H new ATOM 0 HD12 ILE A 60 126.357 16.929 -11.470 1.00 1.00 H new ATOM 0 HD13 ILE A 60 125.884 18.550 -10.910 1.00 1.00 H new ATOM 953 N LEU A 61 128.857 15.984 -6.939 1.00 1.00 N ATOM 954 CA LEU A 61 128.745 15.657 -5.522 1.00 1.00 C ATOM 955 C LEU A 61 130.095 15.722 -4.825 1.00 1.00 C ATOM 956 O LEU A 61 130.184 16.144 -3.671 1.00 1.00 O ATOM 957 CB LEU A 61 128.162 14.257 -5.286 1.00 1.00 C ATOM 958 CG LEU A 61 126.675 14.167 -5.696 1.00 1.00 C ATOM 959 CD1 LEU A 61 125.786 14.776 -4.613 1.00 1.00 C ATOM 960 CD2 LEU A 61 126.397 14.910 -7.002 1.00 1.00 C ATOM 0 H LEU A 61 128.574 15.243 -7.581 1.00 1.00 H new ATOM 0 HA LEU A 61 128.068 16.404 -5.106 1.00 1.00 H new ATOM 0 HB2 LEU A 61 128.738 13.525 -5.852 1.00 1.00 H new ATOM 0 HB3 LEU A 61 128.263 13.996 -4.233 1.00 1.00 H new ATOM 0 HG LEU A 61 126.452 13.108 -5.830 1.00 1.00 H new ATOM 0 HD11 LEU A 61 124.742 14.705 -4.917 1.00 1.00 H new ATOM 0 HD12 LEU A 61 125.929 14.235 -3.678 1.00 1.00 H new ATOM 0 HD13 LEU A 61 126.052 15.823 -4.471 1.00 1.00 H new ATOM 0 HD21 LEU A 61 125.340 14.821 -7.253 1.00 1.00 H new ATOM 0 HD22 LEU A 61 126.655 15.962 -6.884 1.00 1.00 H new ATOM 0 HD23 LEU A 61 126.998 14.477 -7.802 1.00 1.00 H new ATOM 972 N GLN A 62 131.138 15.258 -5.500 1.00 1.00 N ATOM 973 CA GLN A 62 132.464 15.229 -4.907 1.00 1.00 C ATOM 974 C GLN A 62 133.255 16.515 -5.169 1.00 1.00 C ATOM 975 O GLN A 62 134.424 16.610 -4.801 1.00 1.00 O ATOM 976 CB GLN A 62 133.225 14.013 -5.439 1.00 1.00 C ATOM 977 CG GLN A 62 132.555 12.730 -4.936 1.00 1.00 C ATOM 978 CD GLN A 62 132.751 12.583 -3.430 1.00 1.00 C ATOM 979 OE1 GLN A 62 133.879 12.633 -2.943 1.00 1.00 O ATOM 980 NE2 GLN A 62 131.711 12.406 -2.661 1.00 1.00 N ATOM 0 H GLN A 62 131.090 14.899 -6.453 1.00 1.00 H new ATOM 0 HA GLN A 62 132.346 15.154 -3.826 1.00 1.00 H new ATOM 0 HB2 GLN A 62 133.237 14.026 -6.529 1.00 1.00 H new ATOM 0 HB3 GLN A 62 134.263 14.047 -5.109 1.00 1.00 H new ATOM 0 HG2 GLN A 62 131.491 12.752 -5.170 1.00 1.00 H new ATOM 0 HG3 GLN A 62 132.977 11.866 -5.450 1.00 1.00 H new ATOM 0 HE21 GLN A 62 130.777 12.365 -3.068 1.00 1.00 H new ATOM 0 HE22 GLN A 62 131.833 12.309 -1.653 1.00 1.00 H new ATOM 989 N SER A 63 132.626 17.506 -5.797 1.00 1.00 N ATOM 990 CA SER A 63 133.301 18.773 -6.080 1.00 1.00 C ATOM 991 C SER A 63 133.309 19.679 -4.850 1.00 1.00 C ATOM 992 O SER A 63 132.431 19.577 -3.993 1.00 1.00 O ATOM 993 CB SER A 63 132.600 19.490 -7.228 1.00 1.00 C ATOM 994 OG SER A 63 133.034 18.924 -8.453 1.00 1.00 O ATOM 0 H SER A 63 131.659 17.459 -6.118 1.00 1.00 H new ATOM 0 HA SER A 63 134.332 18.551 -6.356 1.00 1.00 H new ATOM 0 HB2 SER A 63 131.519 19.393 -7.130 1.00 1.00 H new ATOM 0 HB3 SER A 63 132.828 20.556 -7.203 1.00 1.00 H new ATOM 0 HG SER A 63 132.258 18.608 -8.961 1.00 1.00 H new ATOM 1000 N SER A 64 134.321 20.537 -4.744 1.00 1.00 N ATOM 1001 CA SER A 64 134.448 21.411 -3.579 1.00 1.00 C ATOM 1002 C SER A 64 133.246 22.336 -3.401 1.00 1.00 C ATOM 1003 O SER A 64 132.774 22.517 -2.278 1.00 1.00 O ATOM 1004 CB SER A 64 135.716 22.261 -3.685 1.00 1.00 C ATOM 1005 OG SER A 64 135.648 23.321 -2.737 1.00 1.00 O ATOM 0 H SER A 64 135.057 20.646 -5.441 1.00 1.00 H new ATOM 0 HA SER A 64 134.501 20.757 -2.709 1.00 1.00 H new ATOM 0 HB2 SER A 64 136.597 21.647 -3.499 1.00 1.00 H new ATOM 0 HB3 SER A 64 135.815 22.664 -4.693 1.00 1.00 H new ATOM 0 HG SER A 64 136.459 23.868 -2.799 1.00 1.00 H new ATOM 1011 N GLU A 65 132.763 22.939 -4.484 1.00 1.00 N ATOM 1012 CA GLU A 65 131.637 23.858 -4.369 1.00 1.00 C ATOM 1013 C GLU A 65 130.374 23.167 -3.857 1.00 1.00 C ATOM 1014 O GLU A 65 129.677 23.705 -2.997 1.00 1.00 O ATOM 1015 CB GLU A 65 131.351 24.492 -5.732 1.00 1.00 C ATOM 1016 CG GLU A 65 132.516 25.397 -6.148 1.00 1.00 C ATOM 1017 CD GLU A 65 132.643 26.574 -5.189 1.00 1.00 C ATOM 1018 OE1 GLU A 65 131.685 26.839 -4.482 1.00 1.00 O ATOM 1019 OE2 GLU A 65 133.702 27.181 -5.158 1.00 1.00 O ATOM 0 H GLU A 65 133.124 22.812 -5.430 1.00 1.00 H new ATOM 0 HA GLU A 65 131.913 24.623 -3.643 1.00 1.00 H new ATOM 0 HB2 GLU A 65 131.201 23.713 -6.480 1.00 1.00 H new ATOM 0 HB3 GLU A 65 130.429 25.071 -5.686 1.00 1.00 H new ATOM 0 HG2 GLU A 65 133.444 24.825 -6.157 1.00 1.00 H new ATOM 0 HG3 GLU A 65 132.357 25.762 -7.163 1.00 1.00 H new ATOM 1026 N PHE A 66 130.082 21.980 -4.373 1.00 1.00 N ATOM 1027 CA PHE A 66 128.905 21.237 -3.941 1.00 1.00 C ATOM 1028 C PHE A 66 129.030 20.778 -2.490 1.00 1.00 C ATOM 1029 O PHE A 66 128.075 20.875 -1.719 1.00 1.00 O ATOM 1030 CB PHE A 66 128.731 20.012 -4.818 1.00 1.00 C ATOM 1031 CG PHE A 66 127.435 19.329 -4.470 1.00 1.00 C ATOM 1032 CD1 PHE A 66 127.368 18.486 -3.353 1.00 1.00 C ATOM 1033 CD2 PHE A 66 126.298 19.543 -5.256 1.00 1.00 C ATOM 1034 CE1 PHE A 66 126.165 17.858 -3.024 1.00 1.00 C ATOM 1035 CE2 PHE A 66 125.092 18.914 -4.924 1.00 1.00 C ATOM 1036 CZ PHE A 66 125.025 18.072 -3.808 1.00 1.00 C ATOM 0 H PHE A 66 130.640 21.513 -5.087 1.00 1.00 H new ATOM 0 HA PHE A 66 128.045 21.901 -4.025 1.00 1.00 H new ATOM 0 HB2 PHE A 66 128.732 20.300 -5.869 1.00 1.00 H new ATOM 0 HB3 PHE A 66 129.566 19.327 -4.674 1.00 1.00 H new ATOM 0 HD1 PHE A 66 128.246 18.322 -2.747 1.00 1.00 H new ATOM 0 HD2 PHE A 66 126.350 20.192 -6.117 1.00 1.00 H new ATOM 0 HE1 PHE A 66 126.114 17.207 -2.164 1.00 1.00 H new ATOM 0 HE2 PHE A 66 124.213 19.079 -5.529 1.00 1.00 H new ATOM 0 HZ PHE A 66 124.094 17.588 -3.552 1.00 1.00 H new ATOM 1046 N LYS A 67 130.198 20.242 -2.137 1.00 1.00 N ATOM 1047 CA LYS A 67 130.407 19.735 -0.790 1.00 1.00 C ATOM 1048 C LYS A 67 130.240 20.842 0.212 1.00 1.00 C ATOM 1049 O LYS A 67 129.612 20.657 1.255 1.00 1.00 O ATOM 1050 CB LYS A 67 131.799 19.117 -0.649 1.00 1.00 C ATOM 1051 CG LYS A 67 131.823 17.776 -1.390 1.00 1.00 C ATOM 1052 CD LYS A 67 133.166 17.077 -1.186 1.00 1.00 C ATOM 1053 CE LYS A 67 134.271 17.799 -1.956 1.00 1.00 C ATOM 1054 NZ LYS A 67 135.480 16.932 -2.011 1.00 1.00 N ATOM 0 H LYS A 67 131.001 20.150 -2.759 1.00 1.00 H new ATOM 0 HA LYS A 67 129.663 18.961 -0.600 1.00 1.00 H new ATOM 0 HB2 LYS A 67 132.553 19.788 -1.060 1.00 1.00 H new ATOM 0 HB3 LYS A 67 132.042 18.971 0.403 1.00 1.00 H new ATOM 0 HG2 LYS A 67 131.016 17.139 -1.028 1.00 1.00 H new ATOM 0 HG3 LYS A 67 131.648 17.938 -2.454 1.00 1.00 H new ATOM 0 HD2 LYS A 67 133.412 17.052 -0.124 1.00 1.00 H new ATOM 0 HD3 LYS A 67 133.098 16.042 -1.522 1.00 1.00 H new ATOM 0 HE2 LYS A 67 133.932 18.035 -2.965 1.00 1.00 H new ATOM 0 HE3 LYS A 67 134.510 18.745 -1.470 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 136.326 17.503 -1.810 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 135.397 16.175 -1.303 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 135.563 16.512 -2.959 1.00 1.00 H new ATOM 1068 N HIS A 68 130.797 21.995 -0.099 1.00 1.00 N ATOM 1069 CA HIS A 68 130.695 23.110 0.799 1.00 1.00 C ATOM 1070 C HIS A 68 129.261 23.594 0.894 1.00 1.00 C ATOM 1071 O HIS A 68 128.755 23.847 1.987 1.00 1.00 O ATOM 1072 CB HIS A 68 131.604 24.243 0.334 1.00 1.00 C ATOM 1073 CG HIS A 68 131.491 25.385 1.296 1.00 1.00 C ATOM 1074 ND1 HIS A 68 132.338 25.523 2.383 1.00 1.00 N ATOM 1075 CD2 HIS A 68 130.624 26.444 1.357 1.00 1.00 C ATOM 1076 CE1 HIS A 68 131.966 26.632 3.048 1.00 1.00 C ATOM 1077 NE2 HIS A 68 130.924 27.232 2.461 1.00 1.00 N ATOM 0 H HIS A 68 131.317 22.176 -0.957 1.00 1.00 H new ATOM 0 HA HIS A 68 131.013 22.785 1.790 1.00 1.00 H new ATOM 0 HB2 HIS A 68 132.637 23.898 0.278 1.00 1.00 H new ATOM 0 HB3 HIS A 68 131.321 24.565 -0.668 1.00 1.00 H new ATOM 0 HD2 HIS A 68 129.828 26.637 0.653 1.00 1.00 H new ATOM 0 HE1 HIS A 68 132.449 26.993 3.944 1.00 1.00 H new ATOM 0 HE2 HIS A 68 130.451 28.085 2.760 1.00 1.00 H new ATOM 1085 N PHE A 69 128.599 23.726 -0.249 1.00 1.00 N ATOM 1086 CA PHE A 69 127.233 24.187 -0.264 1.00 1.00 C ATOM 1087 C PHE A 69 126.345 23.228 0.504 1.00 1.00 C ATOM 1088 O PHE A 69 125.535 23.637 1.333 1.00 1.00 O ATOM 1089 CB PHE A 69 126.760 24.305 -1.711 1.00 1.00 C ATOM 1090 CG PHE A 69 125.279 24.575 -1.747 1.00 1.00 C ATOM 1091 CD1 PHE A 69 124.782 25.792 -1.273 1.00 1.00 C ATOM 1092 CD2 PHE A 69 124.406 23.618 -2.272 1.00 1.00 C ATOM 1093 CE1 PHE A 69 123.409 26.053 -1.322 1.00 1.00 C ATOM 1094 CE2 PHE A 69 123.037 23.875 -2.317 1.00 1.00 C ATOM 1095 CZ PHE A 69 122.536 25.094 -1.843 1.00 1.00 C ATOM 0 H PHE A 69 128.991 23.520 -1.168 1.00 1.00 H new ATOM 0 HA PHE A 69 127.175 25.164 0.217 1.00 1.00 H new ATOM 0 HB2 PHE A 69 127.297 25.109 -2.214 1.00 1.00 H new ATOM 0 HB3 PHE A 69 126.984 23.385 -2.252 1.00 1.00 H new ATOM 0 HD1 PHE A 69 125.458 26.531 -0.869 1.00 1.00 H new ATOM 0 HD2 PHE A 69 124.792 22.680 -2.643 1.00 1.00 H new ATOM 0 HE1 PHE A 69 123.024 26.994 -0.958 1.00 1.00 H new ATOM 0 HE2 PHE A 69 122.362 23.133 -2.718 1.00 1.00 H new ATOM 0 HZ PHE A 69 121.475 25.293 -1.880 1.00 1.00 H new ATOM 1105 N ALA A 70 126.475 21.945 0.188 1.00 1.00 N ATOM 1106 CA ALA A 70 125.659 20.919 0.801 1.00 1.00 C ATOM 1107 C ALA A 70 125.975 20.701 2.270 1.00 1.00 C ATOM 1108 O ALA A 70 125.075 20.456 3.069 1.00 1.00 O ATOM 1109 CB ALA A 70 125.843 19.597 0.059 1.00 1.00 C ATOM 0 H ALA A 70 127.146 21.594 -0.496 1.00 1.00 H new ATOM 0 HA ALA A 70 124.628 21.266 0.734 1.00 1.00 H new ATOM 0 HB1 ALA A 70 125.226 18.829 0.526 1.00 1.00 H new ATOM 0 HB2 ALA A 70 125.544 19.719 -0.982 1.00 1.00 H new ATOM 0 HB3 ALA A 70 126.890 19.298 0.103 1.00 1.00 H new ATOM 1115 N GLY A 71 127.242 20.790 2.632 1.00 1.00 N ATOM 1116 CA GLY A 71 127.633 20.587 4.010 1.00 1.00 C ATOM 1117 C GLY A 71 127.008 21.653 4.873 1.00 1.00 C ATOM 1118 O GLY A 71 126.625 21.402 6.016 1.00 1.00 O ATOM 0 H GLY A 71 128.010 21.000 1.995 1.00 1.00 H new ATOM 0 HA2 GLY A 71 127.317 19.600 4.347 1.00 1.00 H new ATOM 0 HA3 GLY A 71 128.719 20.622 4.100 1.00 1.00 H new ATOM 1122 N VAL A 72 126.938 22.854 4.325 1.00 1.00 N ATOM 1123 CA VAL A 72 126.400 23.978 5.045 1.00 1.00 C ATOM 1124 C VAL A 72 124.882 24.113 4.895 1.00 1.00 C ATOM 1125 O VAL A 72 124.209 24.478 5.859 1.00 1.00 O ATOM 1126 CB VAL A 72 127.086 25.253 4.557 1.00 1.00 C ATOM 1127 CG1 VAL A 72 126.244 26.458 4.940 1.00 1.00 C ATOM 1128 CG2 VAL A 72 128.463 25.376 5.209 1.00 1.00 C ATOM 0 H VAL A 72 127.251 23.069 3.378 1.00 1.00 H new ATOM 0 HA VAL A 72 126.595 23.814 6.105 1.00 1.00 H new ATOM 0 HB VAL A 72 127.197 25.210 3.474 1.00 1.00 H new ATOM 0 HG11 VAL A 72 126.732 27.368 4.592 1.00 1.00 H new ATOM 0 HG12 VAL A 72 125.260 26.375 4.479 1.00 1.00 H new ATOM 0 HG13 VAL A 72 126.135 26.496 6.024 1.00 1.00 H new ATOM 0 HG21 VAL A 72 128.951 26.286 4.860 1.00 1.00 H new ATOM 0 HG22 VAL A 72 128.350 25.418 6.292 1.00 1.00 H new ATOM 0 HG23 VAL A 72 129.071 24.512 4.940 1.00 1.00 H new ATOM 1138 N HIS A 73 124.347 23.927 3.682 1.00 1.00 N ATOM 1139 CA HIS A 73 122.921 24.157 3.444 1.00 1.00 C ATOM 1140 C HIS A 73 122.043 22.919 3.230 1.00 1.00 C ATOM 1141 O HIS A 73 120.830 23.089 3.103 1.00 1.00 O ATOM 1142 CB HIS A 73 122.770 25.082 2.235 1.00 1.00 C ATOM 1143 CG HIS A 73 123.139 26.485 2.641 1.00 1.00 C ATOM 1144 ND1 HIS A 73 122.525 27.123 3.704 1.00 1.00 N ATOM 1145 CD2 HIS A 73 124.053 27.388 2.141 1.00 1.00 C ATOM 1146 CE1 HIS A 73 123.066 28.348 3.815 1.00 1.00 C ATOM 1147 NE2 HIS A 73 124.002 28.565 2.887 1.00 1.00 N ATOM 0 H HIS A 73 124.873 23.622 2.863 1.00 1.00 H new ATOM 0 HA HIS A 73 122.555 24.593 4.373 1.00 1.00 H new ATOM 0 HB2 HIS A 73 123.411 24.745 1.421 1.00 1.00 H new ATOM 0 HB3 HIS A 73 121.745 25.054 1.866 1.00 1.00 H new ATOM 0 HD2 HIS A 73 124.708 27.211 1.301 1.00 1.00 H new ATOM 0 HE1 HIS A 73 122.779 29.070 4.565 1.00 1.00 H new ATOM 0 HE2 HIS A 73 124.559 29.409 2.753 1.00 1.00 H new ATOM 1155 N LEU A 74 122.587 21.701 3.131 1.00 1.00 N ATOM 1156 CA LEU A 74 121.694 20.560 2.861 1.00 1.00 C ATOM 1157 C LEU A 74 122.017 19.280 3.615 1.00 1.00 C ATOM 1158 O LEU A 74 123.098 19.120 4.183 1.00 1.00 O ATOM 1159 CB LEU A 74 121.701 20.214 1.371 1.00 1.00 C ATOM 1160 CG LEU A 74 121.016 21.301 0.539 1.00 1.00 C ATOM 1161 CD1 LEU A 74 122.055 22.279 0.011 1.00 1.00 C ATOM 1162 CD2 LEU A 74 120.328 20.639 -0.646 1.00 1.00 C ATOM 0 H LEU A 74 123.579 21.482 3.226 1.00 1.00 H new ATOM 0 HA LEU A 74 120.721 20.907 3.210 1.00 1.00 H new ATOM 0 HB2 LEU A 74 122.729 20.088 1.031 1.00 1.00 H new ATOM 0 HB3 LEU A 74 121.194 19.262 1.215 1.00 1.00 H new ATOM 0 HG LEU A 74 120.295 21.835 1.158 1.00 1.00 H new ATOM 0 HD11 LEU A 74 121.561 23.050 -0.580 1.00 1.00 H new ATOM 0 HD12 LEU A 74 122.577 22.742 0.848 1.00 1.00 H new ATOM 0 HD13 LEU A 74 122.772 21.746 -0.614 1.00 1.00 H new ATOM 0 HD21 LEU A 74 119.834 21.399 -1.251 1.00 1.00 H new ATOM 0 HD22 LEU A 74 121.069 20.118 -1.252 1.00 1.00 H new ATOM 0 HD23 LEU A 74 119.588 19.925 -0.285 1.00 1.00 H new ATOM 1174 N HIS A 75 121.088 18.334 3.525 1.00 1.00 N ATOM 1175 CA HIS A 75 121.264 17.011 4.093 1.00 1.00 C ATOM 1176 C HIS A 75 121.262 16.047 2.911 1.00 1.00 C ATOM 1177 O HIS A 75 120.324 16.067 2.107 1.00 1.00 O ATOM 1178 CB HIS A 75 120.135 16.689 5.069 1.00 1.00 C ATOM 1179 CG HIS A 75 120.490 17.246 6.417 1.00 1.00 C ATOM 1180 ND1 HIS A 75 120.563 16.450 7.548 1.00 1.00 N ATOM 1181 CD2 HIS A 75 120.809 18.513 6.829 1.00 1.00 C ATOM 1182 CE1 HIS A 75 120.911 17.241 8.579 1.00 1.00 C ATOM 1183 NE2 HIS A 75 121.075 18.510 8.196 1.00 1.00 N ATOM 0 H HIS A 75 120.193 18.468 3.055 1.00 1.00 H new ATOM 0 HA HIS A 75 122.192 16.937 4.660 1.00 1.00 H new ATOM 0 HB2 HIS A 75 119.197 17.120 4.717 1.00 1.00 H new ATOM 0 HB3 HIS A 75 119.987 15.611 5.133 1.00 1.00 H new ATOM 0 HD1 HIS A 75 120.385 15.447 7.591 1.00 1.00 H new ATOM 0 HD2 HIS A 75 120.848 19.383 6.190 1.00 1.00 H new ATOM 0 HE1 HIS A 75 121.042 16.892 9.593 1.00 1.00 H new ATOM 1191 N MET A 76 122.306 15.229 2.781 1.00 1.00 N ATOM 1192 CA MET A 76 122.380 14.303 1.648 1.00 1.00 C ATOM 1193 C MET A 76 122.068 12.878 2.055 1.00 1.00 C ATOM 1194 O MET A 76 122.540 12.380 3.079 1.00 1.00 O ATOM 1195 CB MET A 76 123.764 14.352 0.984 1.00 1.00 C ATOM 1196 CG MET A 76 123.836 13.332 -0.173 1.00 1.00 C ATOM 1197 SD MET A 76 122.494 13.619 -1.365 1.00 1.00 S ATOM 1198 CE MET A 76 123.041 15.220 -2.008 1.00 1.00 C ATOM 0 H MET A 76 123.094 15.186 3.427 1.00 1.00 H new ATOM 0 HA MET A 76 121.624 14.628 0.933 1.00 1.00 H new ATOM 0 HB2 MET A 76 123.959 15.356 0.606 1.00 1.00 H new ATOM 0 HB3 MET A 76 124.537 14.133 1.721 1.00 1.00 H new ATOM 0 HG2 MET A 76 124.800 13.412 -0.676 1.00 1.00 H new ATOM 0 HG3 MET A 76 123.767 12.319 0.223 1.00 1.00 H new ATOM 0 HE1 MET A 76 122.960 15.222 -3.095 1.00 1.00 H new ATOM 0 HE2 MET A 76 122.414 16.011 -1.596 1.00 1.00 H new ATOM 0 HE3 MET A 76 124.078 15.392 -1.721 1.00 1.00 H new ATOM 1208 N VAL A 77 121.280 12.230 1.213 1.00 1.00 N ATOM 1209 CA VAL A 77 120.889 10.856 1.425 1.00 1.00 C ATOM 1210 C VAL A 77 121.252 10.045 0.184 1.00 1.00 C ATOM 1211 O VAL A 77 120.986 10.466 -0.943 1.00 1.00 O ATOM 1212 CB VAL A 77 119.387 10.808 1.680 1.00 1.00 C ATOM 1213 CG1 VAL A 77 118.891 9.369 1.622 1.00 1.00 C ATOM 1214 CG2 VAL A 77 119.099 11.382 3.065 1.00 1.00 C ATOM 0 H VAL A 77 120.896 12.646 0.365 1.00 1.00 H new ATOM 0 HA VAL A 77 121.407 10.434 2.286 1.00 1.00 H new ATOM 0 HB VAL A 77 118.874 11.393 0.916 1.00 1.00 H new ATOM 0 HG11 VAL A 77 117.817 9.347 1.806 1.00 1.00 H new ATOM 0 HG12 VAL A 77 119.099 8.952 0.637 1.00 1.00 H new ATOM 0 HG13 VAL A 77 119.401 8.777 2.382 1.00 1.00 H new ATOM 0 HG21 VAL A 77 118.026 11.351 3.256 1.00 1.00 H new ATOM 0 HG22 VAL A 77 119.619 10.791 3.819 1.00 1.00 H new ATOM 0 HG23 VAL A 77 119.446 12.414 3.111 1.00 1.00 H new ATOM 1224 N GLU A 78 121.884 8.901 0.395 1.00 1.00 N ATOM 1225 CA GLU A 78 122.306 8.063 -0.719 1.00 1.00 C ATOM 1226 C GLU A 78 121.315 6.932 -0.948 1.00 1.00 C ATOM 1227 O GLU A 78 120.951 6.206 -0.022 1.00 1.00 O ATOM 1228 CB GLU A 78 123.692 7.490 -0.423 1.00 1.00 C ATOM 1229 CG GLU A 78 124.230 6.767 -1.660 1.00 1.00 C ATOM 1230 CD GLU A 78 125.617 6.196 -1.381 1.00 1.00 C ATOM 1231 OE1 GLU A 78 125.998 6.150 -0.223 1.00 1.00 O ATOM 1232 OE2 GLU A 78 126.278 5.812 -2.335 1.00 1.00 O ATOM 0 H GLU A 78 122.115 8.533 1.318 1.00 1.00 H new ATOM 0 HA GLU A 78 122.345 8.671 -1.623 1.00 1.00 H new ATOM 0 HB2 GLU A 78 124.372 8.291 -0.134 1.00 1.00 H new ATOM 0 HB3 GLU A 78 123.638 6.799 0.418 1.00 1.00 H new ATOM 0 HG2 GLU A 78 123.550 5.964 -1.944 1.00 1.00 H new ATOM 0 HG3 GLU A 78 124.277 7.458 -2.501 1.00 1.00 H new ATOM 1239 N VAL A 79 120.881 6.784 -2.196 1.00 1.00 N ATOM 1240 CA VAL A 79 119.941 5.743 -2.556 1.00 1.00 C ATOM 1241 C VAL A 79 120.417 5.070 -3.839 1.00 1.00 C ATOM 1242 O VAL A 79 120.263 5.601 -4.937 1.00 1.00 O ATOM 1243 CB VAL A 79 118.548 6.362 -2.755 1.00 1.00 C ATOM 1244 CG1 VAL A 79 117.459 5.317 -2.494 1.00 1.00 C ATOM 1245 CG2 VAL A 79 118.369 7.535 -1.780 1.00 1.00 C ATOM 0 H VAL A 79 121.170 7.378 -2.973 1.00 1.00 H new ATOM 0 HA VAL A 79 119.881 4.997 -1.764 1.00 1.00 H new ATOM 0 HB VAL A 79 118.462 6.715 -3.783 1.00 1.00 H new ATOM 0 HG11 VAL A 79 116.478 5.770 -2.639 1.00 1.00 H new ATOM 0 HG12 VAL A 79 117.580 4.484 -3.187 1.00 1.00 H new ATOM 0 HG13 VAL A 79 117.543 4.952 -1.470 1.00 1.00 H new ATOM 0 HG21 VAL A 79 117.382 7.976 -1.919 1.00 1.00 H new ATOM 0 HG22 VAL A 79 118.465 7.175 -0.756 1.00 1.00 H new ATOM 0 HG23 VAL A 79 119.133 8.288 -1.973 1.00 1.00 H new ATOM 1255 N ASP A 80 121.112 3.956 -3.657 1.00 1.00 N ATOM 1256 CA ASP A 80 121.744 3.279 -4.783 1.00 1.00 C ATOM 1257 C ASP A 80 121.082 1.982 -5.211 1.00 1.00 C ATOM 1258 O ASP A 80 120.586 1.230 -4.372 1.00 1.00 O ATOM 1259 CB ASP A 80 123.202 2.981 -4.431 1.00 1.00 C ATOM 1260 CG ASP A 80 124.011 4.274 -4.393 1.00 1.00 C ATOM 1261 OD1 ASP A 80 123.461 5.306 -4.738 1.00 1.00 O ATOM 1262 OD2 ASP A 80 125.165 4.215 -4.007 1.00 1.00 O ATOM 0 H ASP A 80 121.252 3.505 -2.753 1.00 1.00 H new ATOM 0 HA ASP A 80 121.646 3.963 -5.626 1.00 1.00 H new ATOM 0 HB2 ASP A 80 123.255 2.482 -3.463 1.00 1.00 H new ATOM 0 HB3 ASP A 80 123.629 2.298 -5.166 1.00 1.00 H new ATOM 1267 N PHE A 81 121.130 1.692 -6.509 1.00 1.00 N ATOM 1268 CA PHE A 81 120.586 0.438 -7.024 1.00 1.00 C ATOM 1269 C PHE A 81 121.706 -0.331 -7.736 1.00 1.00 C ATOM 1270 O PHE A 81 121.747 -0.370 -8.964 1.00 1.00 O ATOM 1271 CB PHE A 81 119.450 0.711 -8.016 1.00 1.00 C ATOM 1272 CG PHE A 81 118.132 0.654 -7.295 1.00 1.00 C ATOM 1273 CD1 PHE A 81 117.790 1.668 -6.399 1.00 1.00 C ATOM 1274 CD2 PHE A 81 117.251 -0.411 -7.521 1.00 1.00 C ATOM 1275 CE1 PHE A 81 116.570 1.623 -5.724 1.00 1.00 C ATOM 1276 CE2 PHE A 81 116.026 -0.459 -6.847 1.00 1.00 C ATOM 1277 CZ PHE A 81 115.685 0.560 -5.948 1.00 1.00 C ATOM 0 H PHE A 81 121.536 2.302 -7.218 1.00 1.00 H new ATOM 0 HA PHE A 81 120.191 -0.147 -6.194 1.00 1.00 H new ATOM 0 HB2 PHE A 81 119.583 1.690 -8.477 1.00 1.00 H new ATOM 0 HB3 PHE A 81 119.469 -0.025 -8.820 1.00 1.00 H new ATOM 0 HD1 PHE A 81 118.471 2.489 -6.228 1.00 1.00 H new ATOM 0 HD2 PHE A 81 117.517 -1.195 -8.215 1.00 1.00 H new ATOM 0 HE1 PHE A 81 116.308 2.407 -5.029 1.00 1.00 H new ATOM 0 HE2 PHE A 81 115.345 -1.279 -7.019 1.00 1.00 H new ATOM 0 HZ PHE A 81 114.739 0.526 -5.427 1.00 1.00 H new ATOM 1287 N PRO A 82 122.624 -0.919 -6.999 1.00 1.00 N ATOM 1288 CA PRO A 82 123.774 -1.674 -7.587 1.00 1.00 C ATOM 1289 C PRO A 82 123.393 -3.027 -8.179 1.00 1.00 C ATOM 1290 O PRO A 82 122.379 -3.619 -7.809 1.00 1.00 O ATOM 1291 CB PRO A 82 124.741 -1.839 -6.417 1.00 1.00 C ATOM 1292 CG PRO A 82 123.888 -1.801 -5.195 1.00 1.00 C ATOM 1293 CD PRO A 82 122.678 -0.924 -5.526 1.00 1.00 C ATOM 0 HA PRO A 82 124.197 -1.135 -8.435 1.00 1.00 H new ATOM 0 HB2 PRO A 82 125.287 -2.780 -6.487 1.00 1.00 H new ATOM 0 HB3 PRO A 82 125.483 -1.041 -6.404 1.00 1.00 H new ATOM 0 HG2 PRO A 82 123.572 -2.805 -4.913 1.00 1.00 H new ATOM 0 HG3 PRO A 82 124.442 -1.392 -4.350 1.00 1.00 H new ATOM 0 HD2 PRO A 82 121.763 -1.330 -5.096 1.00 1.00 H new ATOM 0 HD3 PRO A 82 122.797 0.084 -5.129 1.00 1.00 H new ATOM 1301 N GLN A 83 124.242 -3.532 -9.061 1.00 1.00 N ATOM 1302 CA GLN A 83 124.008 -4.841 -9.651 1.00 1.00 C ATOM 1303 C GLN A 83 124.331 -5.919 -8.615 1.00 1.00 C ATOM 1304 O GLN A 83 123.624 -6.921 -8.485 1.00 1.00 O ATOM 1305 CB GLN A 83 124.895 -5.049 -10.887 1.00 1.00 C ATOM 1306 CG GLN A 83 124.563 -4.022 -11.974 1.00 1.00 C ATOM 1307 CD GLN A 83 123.119 -4.168 -12.437 1.00 1.00 C ATOM 1308 OE1 GLN A 83 122.727 -5.229 -12.916 1.00 1.00 O ATOM 1309 NE2 GLN A 83 122.301 -3.157 -12.320 1.00 1.00 N ATOM 0 H GLN A 83 125.089 -3.062 -9.381 1.00 1.00 H new ATOM 0 HA GLN A 83 122.964 -4.907 -9.957 1.00 1.00 H new ATOM 0 HB2 GLN A 83 125.944 -4.961 -10.606 1.00 1.00 H new ATOM 0 HB3 GLN A 83 124.753 -6.057 -11.277 1.00 1.00 H new ATOM 0 HG2 GLN A 83 124.726 -3.015 -11.590 1.00 1.00 H new ATOM 0 HG3 GLN A 83 125.236 -4.153 -12.821 1.00 1.00 H new ATOM 0 HE21 GLN A 83 122.631 -2.278 -11.922 1.00 1.00 H new ATOM 0 HE22 GLN A 83 121.332 -3.247 -12.627 1.00 1.00 H new ATOM 1318 N LYS A 84 125.384 -5.660 -7.841 1.00 1.00 N ATOM 1319 CA LYS A 84 125.805 -6.543 -6.761 1.00 1.00 C ATOM 1320 C LYS A 84 125.343 -5.909 -5.462 1.00 1.00 C ATOM 1321 O LYS A 84 125.965 -4.993 -4.924 1.00 1.00 O ATOM 1322 CB LYS A 84 127.321 -6.703 -6.759 1.00 1.00 C ATOM 1323 CG LYS A 84 127.730 -7.721 -5.693 1.00 1.00 C ATOM 1324 CD LYS A 84 129.237 -7.914 -5.758 1.00 1.00 C ATOM 1325 CE LYS A 84 129.674 -8.942 -4.714 1.00 1.00 C ATOM 1326 NZ LYS A 84 131.120 -9.241 -4.896 1.00 1.00 N ATOM 0 H LYS A 84 125.968 -4.831 -7.947 1.00 1.00 H new ATOM 0 HA LYS A 84 125.372 -7.535 -6.886 1.00 1.00 H new ATOM 0 HB2 LYS A 84 127.663 -7.032 -7.740 1.00 1.00 H new ATOM 0 HB3 LYS A 84 127.798 -5.743 -6.561 1.00 1.00 H new ATOM 0 HG2 LYS A 84 127.436 -7.371 -4.703 1.00 1.00 H new ATOM 0 HG3 LYS A 84 127.220 -8.670 -5.860 1.00 1.00 H new ATOM 0 HD2 LYS A 84 129.527 -8.248 -6.754 1.00 1.00 H new ATOM 0 HD3 LYS A 84 129.742 -6.965 -5.580 1.00 1.00 H new ATOM 0 HE2 LYS A 84 129.494 -8.558 -3.710 1.00 1.00 H new ATOM 0 HE3 LYS A 84 129.086 -9.854 -4.816 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 131.422 -9.940 -4.188 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 131.278 -9.624 -5.850 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 131.673 -8.368 -4.778 1.00 1.00 H new ATOM 1340 N ASN A 85 124.202 -6.379 -5.026 1.00 1.00 N ATOM 1341 CA ASN A 85 123.560 -5.839 -3.829 1.00 1.00 C ATOM 1342 C ASN A 85 123.936 -6.577 -2.544 1.00 1.00 C ATOM 1343 O ASN A 85 123.853 -7.804 -2.447 1.00 1.00 O ATOM 1344 CB ASN A 85 122.044 -5.885 -4.004 1.00 1.00 C ATOM 1345 CG ASN A 85 121.366 -5.122 -2.871 1.00 1.00 C ATOM 1346 OD1 ASN A 85 121.919 -5.014 -1.775 1.00 1.00 O ATOM 1347 ND2 ASN A 85 120.193 -4.586 -3.068 1.00 1.00 N ATOM 0 H ASN A 85 123.688 -7.137 -5.476 1.00 1.00 H new ATOM 0 HA ASN A 85 123.917 -4.815 -3.721 1.00 1.00 H new ATOM 0 HB2 ASN A 85 121.767 -5.449 -4.964 1.00 1.00 H new ATOM 0 HB3 ASN A 85 121.702 -6.920 -4.013 1.00 1.00 H new ATOM 0 HD21 ASN A 85 119.732 -4.076 -2.314 1.00 1.00 H new ATOM 0 HD22 ASN A 85 119.737 -4.676 -3.976 1.00 1.00 H new ATOM 1354 N HIS A 86 124.343 -5.769 -1.566 1.00 1.00 N ATOM 1355 CA HIS A 86 124.735 -6.314 -0.266 1.00 1.00 C ATOM 1356 C HIS A 86 124.121 -5.520 0.885 1.00 1.00 C ATOM 1357 O HIS A 86 124.572 -5.632 2.024 1.00 1.00 O ATOM 1358 CB HIS A 86 126.258 -6.310 -0.145 1.00 1.00 C ATOM 1359 CG HIS A 86 126.791 -7.560 -0.776 1.00 1.00 C ATOM 1360 ND1 HIS A 86 126.702 -7.795 -2.139 1.00 1.00 N ATOM 1361 CD2 HIS A 86 127.393 -8.671 -0.242 1.00 1.00 C ATOM 1362 CE1 HIS A 86 127.233 -9.006 -2.377 1.00 1.00 C ATOM 1363 NE2 HIS A 86 127.671 -9.583 -1.254 1.00 1.00 N ATOM 0 H HIS A 86 124.410 -4.754 -1.645 1.00 1.00 H new ATOM 0 HA HIS A 86 124.362 -7.336 -0.202 1.00 1.00 H new ATOM 0 HB2 HIS A 86 126.674 -5.431 -0.637 1.00 1.00 H new ATOM 0 HB3 HIS A 86 126.554 -6.259 0.903 1.00 1.00 H new ATOM 0 HD2 HIS A 86 127.617 -8.815 0.805 1.00 1.00 H new ATOM 0 HE1 HIS A 86 127.298 -9.458 -3.356 1.00 1.00 H new ATOM 0 HE2 HIS A 86 128.114 -10.497 -1.160 1.00 1.00 H new ATOM 1371 N GLN A 87 123.088 -4.736 0.601 1.00 1.00 N ATOM 1372 CA GLN A 87 122.431 -3.953 1.642 1.00 1.00 C ATOM 1373 C GLN A 87 121.389 -4.820 2.371 1.00 1.00 C ATOM 1374 O GLN A 87 120.803 -5.717 1.767 1.00 1.00 O ATOM 1375 CB GLN A 87 121.750 -2.735 1.007 1.00 1.00 C ATOM 1376 CG GLN A 87 122.816 -1.776 0.462 1.00 1.00 C ATOM 1377 CD GLN A 87 123.209 -0.765 1.532 1.00 1.00 C ATOM 1378 OE1 GLN A 87 123.053 -1.027 2.724 1.00 1.00 O ATOM 1379 NE2 GLN A 87 123.719 0.382 1.174 1.00 1.00 N ATOM 0 H GLN A 87 122.690 -4.625 -0.332 1.00 1.00 H new ATOM 0 HA GLN A 87 123.173 -3.615 2.365 1.00 1.00 H new ATOM 0 HB2 GLN A 87 121.088 -3.054 0.202 1.00 1.00 H new ATOM 0 HB3 GLN A 87 121.131 -2.225 1.746 1.00 1.00 H new ATOM 0 HG2 GLN A 87 123.693 -2.339 0.143 1.00 1.00 H new ATOM 0 HG3 GLN A 87 122.434 -1.257 -0.417 1.00 1.00 H new ATOM 0 HE21 GLN A 87 123.847 0.597 0.185 1.00 1.00 H new ATOM 0 HE22 GLN A 87 123.989 1.064 1.883 1.00 1.00 H new ATOM 1388 N PRO A 88 121.151 -4.581 3.644 1.00 1.00 N ATOM 1389 CA PRO A 88 120.163 -5.380 4.437 1.00 1.00 C ATOM 1390 C PRO A 88 118.742 -5.223 3.904 1.00 1.00 C ATOM 1391 O PRO A 88 118.429 -4.238 3.235 1.00 1.00 O ATOM 1392 CB PRO A 88 120.274 -4.821 5.860 1.00 1.00 C ATOM 1393 CG PRO A 88 120.933 -3.490 5.730 1.00 1.00 C ATOM 1394 CD PRO A 88 121.787 -3.539 4.465 1.00 1.00 C ATOM 0 HA PRO A 88 120.376 -6.448 4.384 1.00 1.00 H new ATOM 0 HB2 PRO A 88 119.290 -4.726 6.319 1.00 1.00 H new ATOM 0 HB3 PRO A 88 120.859 -5.486 6.495 1.00 1.00 H new ATOM 0 HG2 PRO A 88 120.189 -2.696 5.663 1.00 1.00 H new ATOM 0 HG3 PRO A 88 121.549 -3.277 6.604 1.00 1.00 H new ATOM 0 HD2 PRO A 88 121.796 -2.577 3.952 1.00 1.00 H new ATOM 0 HD3 PRO A 88 122.823 -3.788 4.693 1.00 1.00 H new ATOM 1402 N GLU A 89 117.896 -6.218 4.159 1.00 1.00 N ATOM 1403 CA GLU A 89 116.522 -6.195 3.663 1.00 1.00 C ATOM 1404 C GLU A 89 115.802 -4.893 4.027 1.00 1.00 C ATOM 1405 O GLU A 89 115.130 -4.309 3.182 1.00 1.00 O ATOM 1406 CB GLU A 89 115.754 -7.397 4.233 1.00 1.00 C ATOM 1407 CG GLU A 89 114.367 -7.495 3.584 1.00 1.00 C ATOM 1408 CD GLU A 89 113.607 -8.685 4.167 1.00 1.00 C ATOM 1409 OE1 GLU A 89 114.038 -9.199 5.185 1.00 1.00 O ATOM 1410 OE2 GLU A 89 112.604 -9.063 3.592 1.00 1.00 O ATOM 0 H GLU A 89 118.136 -7.047 4.703 1.00 1.00 H new ATOM 0 HA GLU A 89 116.556 -6.254 2.575 1.00 1.00 H new ATOM 0 HB2 GLU A 89 116.314 -8.315 4.052 1.00 1.00 H new ATOM 0 HB3 GLU A 89 115.652 -7.294 5.313 1.00 1.00 H new ATOM 0 HG2 GLU A 89 113.809 -6.575 3.757 1.00 1.00 H new ATOM 0 HG3 GLU A 89 114.467 -7.609 2.505 1.00 1.00 H new ATOM 1417 N GLU A 90 115.911 -4.441 5.278 1.00 1.00 N ATOM 1418 CA GLU A 90 115.214 -3.218 5.694 1.00 1.00 C ATOM 1419 C GLU A 90 115.612 -2.015 4.843 1.00 1.00 C ATOM 1420 O GLU A 90 114.769 -1.185 4.494 1.00 1.00 O ATOM 1421 CB GLU A 90 115.529 -2.910 7.164 1.00 1.00 C ATOM 1422 CG GLU A 90 114.899 -3.976 8.067 1.00 1.00 C ATOM 1423 CD GLU A 90 115.313 -3.749 9.521 1.00 1.00 C ATOM 1424 OE1 GLU A 90 116.062 -2.816 9.767 1.00 1.00 O ATOM 1425 OE2 GLU A 90 114.876 -4.516 10.366 1.00 1.00 O ATOM 0 H GLU A 90 116.463 -4.891 6.009 1.00 1.00 H new ATOM 0 HA GLU A 90 114.147 -3.395 5.561 1.00 1.00 H new ATOM 0 HB2 GLU A 90 116.608 -2.884 7.316 1.00 1.00 H new ATOM 0 HB3 GLU A 90 115.146 -1.924 7.428 1.00 1.00 H new ATOM 0 HG2 GLU A 90 113.813 -3.940 7.981 1.00 1.00 H new ATOM 0 HG3 GLU A 90 115.212 -4.969 7.743 1.00 1.00 H new ATOM 1432 N GLN A 91 116.891 -1.923 4.514 1.00 1.00 N ATOM 1433 CA GLN A 91 117.383 -0.809 3.707 1.00 1.00 C ATOM 1434 C GLN A 91 116.873 -0.913 2.277 1.00 1.00 C ATOM 1435 O GLN A 91 116.502 0.095 1.675 1.00 1.00 O ATOM 1436 CB GLN A 91 118.911 -0.787 3.700 1.00 1.00 C ATOM 1437 CG GLN A 91 119.399 0.405 2.871 1.00 1.00 C ATOM 1438 CD GLN A 91 120.901 0.584 3.061 1.00 1.00 C ATOM 1439 OE1 GLN A 91 121.464 0.089 4.038 1.00 1.00 O ATOM 1440 NE2 GLN A 91 121.588 1.270 2.186 1.00 1.00 N ATOM 0 H GLN A 91 117.605 -2.598 4.789 1.00 1.00 H new ATOM 0 HA GLN A 91 117.012 0.115 4.150 1.00 1.00 H new ATOM 0 HB2 GLN A 91 119.289 -0.714 4.720 1.00 1.00 H new ATOM 0 HB3 GLN A 91 119.297 -1.717 3.282 1.00 1.00 H new ATOM 0 HG2 GLN A 91 119.173 0.244 1.817 1.00 1.00 H new ATOM 0 HG3 GLN A 91 118.874 1.311 3.175 1.00 1.00 H new ATOM 0 HE21 GLN A 91 121.120 1.679 1.377 1.00 1.00 H new ATOM 0 HE22 GLN A 91 122.592 1.396 2.312 1.00 1.00 H new ATOM 1449 N ARG A 92 116.844 -2.125 1.740 1.00 1.00 N ATOM 1450 CA ARG A 92 116.366 -2.332 0.379 1.00 1.00 C ATOM 1451 C ARG A 92 114.881 -1.991 0.256 1.00 1.00 C ATOM 1452 O ARG A 92 114.469 -1.350 -0.709 1.00 1.00 O ATOM 1453 CB ARG A 92 116.604 -3.784 -0.046 1.00 1.00 C ATOM 1454 CG ARG A 92 118.103 -4.013 -0.256 1.00 1.00 C ATOM 1455 CD ARG A 92 118.353 -5.474 -0.620 1.00 1.00 C ATOM 1456 NE ARG A 92 118.027 -6.328 0.516 1.00 1.00 N ATOM 1457 CZ ARG A 92 118.111 -7.649 0.422 1.00 1.00 C ATOM 1458 NH1 ARG A 92 118.421 -8.191 -0.717 1.00 1.00 N ATOM 1459 NH2 ARG A 92 117.861 -8.409 1.457 1.00 1.00 N ATOM 0 H ARG A 92 117.143 -2.974 2.221 1.00 1.00 H new ATOM 0 HA ARG A 92 116.924 -1.666 -0.279 1.00 1.00 H new ATOM 0 HB2 ARG A 92 116.224 -4.464 0.716 1.00 1.00 H new ATOM 0 HB3 ARG A 92 116.060 -3.999 -0.965 1.00 1.00 H new ATOM 0 HG2 ARG A 92 118.473 -3.362 -1.048 1.00 1.00 H new ATOM 0 HG3 ARG A 92 118.651 -3.755 0.650 1.00 1.00 H new ATOM 0 HD2 ARG A 92 117.747 -5.753 -1.482 1.00 1.00 H new ATOM 0 HD3 ARG A 92 119.396 -5.614 -0.905 1.00 1.00 H new ATOM 0 HE ARG A 92 117.730 -5.904 1.395 1.00 1.00 H new ATOM 0 HH11 ARG A 92 118.598 -7.602 -1.531 1.00 1.00 H new ATOM 0 HH12 ARG A 92 118.488 -9.206 -0.798 1.00 1.00 H new ATOM 0 HH21 ARG A 92 117.598 -7.987 2.348 1.00 1.00 H new ATOM 0 HH22 ARG A 92 117.929 -9.423 1.373 1.00 1.00 H new ATOM 1473 N GLN A 93 114.073 -2.422 1.228 1.00 1.00 N ATOM 1474 CA GLN A 93 112.631 -2.153 1.190 1.00 1.00 C ATOM 1475 C GLN A 93 112.349 -0.655 1.221 1.00 1.00 C ATOM 1476 O GLN A 93 111.543 -0.147 0.441 1.00 1.00 O ATOM 1477 CB GLN A 93 111.964 -2.812 2.396 1.00 1.00 C ATOM 1478 CG GLN A 93 112.070 -4.328 2.259 1.00 1.00 C ATOM 1479 CD GLN A 93 111.524 -5.005 3.510 1.00 1.00 C ATOM 1480 OE1 GLN A 93 112.086 -4.854 4.595 1.00 1.00 O ATOM 1481 NE2 GLN A 93 110.457 -5.748 3.421 1.00 1.00 N ATOM 0 H GLN A 93 114.386 -2.952 2.041 1.00 1.00 H new ATOM 0 HA GLN A 93 112.230 -2.561 0.262 1.00 1.00 H new ATOM 0 HB2 GLN A 93 112.444 -2.483 3.318 1.00 1.00 H new ATOM 0 HB3 GLN A 93 110.918 -2.512 2.457 1.00 1.00 H new ATOM 0 HG2 GLN A 93 111.514 -4.662 1.383 1.00 1.00 H new ATOM 0 HG3 GLN A 93 113.110 -4.615 2.105 1.00 1.00 H new ATOM 0 HE21 GLN A 93 109.994 -5.870 2.520 1.00 1.00 H new ATOM 0 HE22 GLN A 93 110.084 -6.207 4.252 1.00 1.00 H new ATOM 1490 N LYS A 94 113.007 0.045 2.130 1.00 1.00 N ATOM 1491 CA LYS A 94 112.812 1.479 2.262 1.00 1.00 C ATOM 1492 C LYS A 94 113.232 2.193 0.983 1.00 1.00 C ATOM 1493 O LYS A 94 112.554 3.108 0.519 1.00 1.00 O ATOM 1494 CB LYS A 94 113.630 1.985 3.448 1.00 1.00 C ATOM 1495 CG LYS A 94 113.082 3.329 3.937 1.00 1.00 C ATOM 1496 CD LYS A 94 113.809 3.735 5.223 1.00 1.00 C ATOM 1497 CE LYS A 94 115.243 4.170 4.904 1.00 1.00 C ATOM 1498 NZ LYS A 94 115.828 4.851 6.090 1.00 1.00 N ATOM 0 H LYS A 94 113.679 -0.355 2.785 1.00 1.00 H new ATOM 0 HA LYS A 94 111.756 1.688 2.433 1.00 1.00 H new ATOM 0 HB2 LYS A 94 113.599 1.256 4.257 1.00 1.00 H new ATOM 0 HB3 LYS A 94 114.675 2.095 3.158 1.00 1.00 H new ATOM 0 HG2 LYS A 94 113.221 4.092 3.171 1.00 1.00 H new ATOM 0 HG3 LYS A 94 112.010 3.253 4.120 1.00 1.00 H new ATOM 0 HD2 LYS A 94 113.274 4.550 5.710 1.00 1.00 H new ATOM 0 HD3 LYS A 94 113.822 2.899 5.922 1.00 1.00 H new ATOM 0 HE2 LYS A 94 115.846 3.303 4.634 1.00 1.00 H new ATOM 0 HE3 LYS A 94 115.249 4.842 4.046 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 116.776 5.207 5.853 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 115.219 5.647 6.369 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 115.898 4.176 6.878 1.00 1.00 H new ATOM 1512 N ASN A 95 114.364 1.780 0.428 1.00 1.00 N ATOM 1513 CA ASN A 95 114.876 2.395 -0.792 1.00 1.00 C ATOM 1514 C ASN A 95 113.899 2.208 -1.945 1.00 1.00 C ATOM 1515 O ASN A 95 113.682 3.132 -2.728 1.00 1.00 O ATOM 1516 CB ASN A 95 116.225 1.779 -1.165 1.00 1.00 C ATOM 1517 CG ASN A 95 117.301 2.275 -0.207 1.00 1.00 C ATOM 1518 OD1 ASN A 95 117.111 3.288 0.466 1.00 1.00 O ATOM 1519 ND2 ASN A 95 118.422 1.617 -0.092 1.00 1.00 N ATOM 0 H ASN A 95 114.943 1.027 0.799 1.00 1.00 H new ATOM 0 HA ASN A 95 115.000 3.462 -0.606 1.00 1.00 H new ATOM 0 HB2 ASN A 95 116.162 0.692 -1.125 1.00 1.00 H new ATOM 0 HB3 ASN A 95 116.486 2.045 -2.189 1.00 1.00 H new ATOM 0 HD21 ASN A 95 119.140 1.942 0.555 1.00 1.00 H new ATOM 0 HD22 ASN A 95 118.580 0.777 -0.649 1.00 1.00 H new ATOM 1526 N GLN A 96 113.308 1.025 -2.065 1.00 1.00 N ATOM 1527 CA GLN A 96 112.370 0.776 -3.146 1.00 1.00 C ATOM 1528 C GLN A 96 111.131 1.634 -2.973 1.00 1.00 C ATOM 1529 O GLN A 96 110.593 2.164 -3.944 1.00 1.00 O ATOM 1530 CB GLN A 96 111.997 -0.705 -3.174 1.00 1.00 C ATOM 1531 CG GLN A 96 113.220 -1.506 -3.622 1.00 1.00 C ATOM 1532 CD GLN A 96 112.973 -3.003 -3.458 1.00 1.00 C ATOM 1533 OE1 GLN A 96 112.221 -3.417 -2.573 1.00 1.00 O ATOM 1534 NE2 GLN A 96 113.577 -3.844 -4.252 1.00 1.00 N ATOM 0 H GLN A 96 113.460 0.236 -1.437 1.00 1.00 H new ATOM 0 HA GLN A 96 112.839 1.039 -4.094 1.00 1.00 H new ATOM 0 HB2 GLN A 96 111.671 -1.032 -2.187 1.00 1.00 H new ATOM 0 HB3 GLN A 96 111.164 -0.873 -3.856 1.00 1.00 H new ATOM 0 HG2 GLN A 96 113.446 -1.282 -4.664 1.00 1.00 H new ATOM 0 HG3 GLN A 96 114.090 -1.209 -3.036 1.00 1.00 H new ATOM 0 HE21 GLN A 96 114.199 -3.498 -4.983 1.00 1.00 H new ATOM 0 HE22 GLN A 96 113.428 -4.847 -4.141 1.00 1.00 H new ATOM 1543 N GLU A 97 110.692 1.783 -1.730 1.00 1.00 N ATOM 1544 CA GLU A 97 109.514 2.590 -1.457 1.00 1.00 C ATOM 1545 C GLU A 97 109.778 4.041 -1.813 1.00 1.00 C ATOM 1546 O GLU A 97 108.924 4.722 -2.381 1.00 1.00 O ATOM 1547 CB GLU A 97 109.138 2.494 0.018 1.00 1.00 C ATOM 1548 CG GLU A 97 107.817 3.229 0.260 1.00 1.00 C ATOM 1549 CD GLU A 97 107.398 3.061 1.715 1.00 1.00 C ATOM 1550 OE1 GLU A 97 108.215 2.601 2.496 1.00 1.00 O ATOM 1551 OE2 GLU A 97 106.266 3.391 2.029 1.00 1.00 O ATOM 0 H GLU A 97 111.126 1.363 -0.908 1.00 1.00 H new ATOM 0 HA GLU A 97 108.691 2.213 -2.064 1.00 1.00 H new ATOM 0 HB2 GLU A 97 109.043 1.449 0.312 1.00 1.00 H new ATOM 0 HB3 GLU A 97 109.926 2.928 0.634 1.00 1.00 H new ATOM 0 HG2 GLU A 97 107.929 4.287 0.023 1.00 1.00 H new ATOM 0 HG3 GLU A 97 107.044 2.835 -0.400 1.00 1.00 H new ATOM 1558 N LEU A 98 110.974 4.503 -1.477 1.00 1.00 N ATOM 1559 CA LEU A 98 111.379 5.871 -1.752 1.00 1.00 C ATOM 1560 C LEU A 98 111.459 6.114 -3.254 1.00 1.00 C ATOM 1561 O LEU A 98 111.087 7.180 -3.746 1.00 1.00 O ATOM 1562 CB LEU A 98 112.742 6.119 -1.114 1.00 1.00 C ATOM 1563 CG LEU A 98 112.986 7.621 -0.962 1.00 1.00 C ATOM 1564 CD1 LEU A 98 112.049 8.225 0.093 1.00 1.00 C ATOM 1565 CD2 LEU A 98 114.434 7.823 -0.534 1.00 1.00 C ATOM 0 H LEU A 98 111.686 3.943 -1.009 1.00 1.00 H new ATOM 0 HA LEU A 98 110.641 6.556 -1.334 1.00 1.00 H new ATOM 0 HB2 LEU A 98 112.789 5.635 -0.139 1.00 1.00 H new ATOM 0 HB3 LEU A 98 113.526 5.676 -1.728 1.00 1.00 H new ATOM 0 HG LEU A 98 112.789 8.119 -1.911 1.00 1.00 H new ATOM 0 HD11 LEU A 98 112.242 9.294 0.182 1.00 1.00 H new ATOM 0 HD12 LEU A 98 111.013 8.068 -0.208 1.00 1.00 H new ATOM 0 HD13 LEU A 98 112.225 7.743 1.055 1.00 1.00 H new ATOM 0 HD21 LEU A 98 114.634 8.888 -0.418 1.00 1.00 H new ATOM 0 HD22 LEU A 98 114.607 7.316 0.415 1.00 1.00 H new ATOM 0 HD23 LEU A 98 115.099 7.409 -1.292 1.00 1.00 H new ATOM 1577 N LYS A 99 111.981 5.121 -3.967 1.00 1.00 N ATOM 1578 CA LYS A 99 112.148 5.224 -5.406 1.00 1.00 C ATOM 1579 C LYS A 99 110.802 5.450 -6.051 1.00 1.00 C ATOM 1580 O LYS A 99 110.673 6.218 -7.003 1.00 1.00 O ATOM 1581 CB LYS A 99 112.752 3.923 -5.935 1.00 1.00 C ATOM 1582 CG LYS A 99 113.084 4.088 -7.415 1.00 1.00 C ATOM 1583 CD LYS A 99 113.766 2.827 -7.947 1.00 1.00 C ATOM 1584 CE LYS A 99 114.114 3.027 -9.423 1.00 1.00 C ATOM 1585 NZ LYS A 99 114.805 1.813 -9.942 1.00 1.00 N ATOM 0 H LYS A 99 112.295 4.236 -3.568 1.00 1.00 H new ATOM 0 HA LYS A 99 112.809 6.058 -5.641 1.00 1.00 H new ATOM 0 HB2 LYS A 99 113.652 3.672 -5.374 1.00 1.00 H new ATOM 0 HB3 LYS A 99 112.051 3.100 -5.797 1.00 1.00 H new ATOM 0 HG2 LYS A 99 112.173 4.283 -7.980 1.00 1.00 H new ATOM 0 HG3 LYS A 99 113.737 4.950 -7.555 1.00 1.00 H new ATOM 0 HD2 LYS A 99 114.669 2.618 -7.373 1.00 1.00 H new ATOM 0 HD3 LYS A 99 113.108 1.966 -7.830 1.00 1.00 H new ATOM 0 HE2 LYS A 99 113.208 3.216 -9.998 1.00 1.00 H new ATOM 0 HE3 LYS A 99 114.755 3.901 -9.541 1.00 1.00 H new ATOM 0 HZ1 LYS A 99 115.041 1.950 -10.946 1.00 1.00 H new ATOM 0 HZ2 LYS A 99 115.678 1.652 -9.400 1.00 1.00 H new ATOM 0 HZ3 LYS A 99 114.179 0.988 -9.843 1.00 1.00 H new ATOM 1599 N ALA A 100 109.804 4.785 -5.516 1.00 1.00 N ATOM 1600 CA ALA A 100 108.467 4.921 -6.036 1.00 1.00 C ATOM 1601 C ALA A 100 107.805 6.179 -5.495 1.00 1.00 C ATOM 1602 O ALA A 100 106.997 6.811 -6.171 1.00 1.00 O ATOM 1603 CB ALA A 100 107.649 3.709 -5.644 1.00 1.00 C ATOM 0 H ALA A 100 109.894 4.148 -4.725 1.00 1.00 H new ATOM 0 HA ALA A 100 108.520 4.997 -7.122 1.00 1.00 H new ATOM 0 HB1 ALA A 100 106.637 3.810 -6.037 1.00 1.00 H new ATOM 0 HB2 ALA A 100 108.110 2.811 -6.055 1.00 1.00 H new ATOM 0 HB3 ALA A 100 107.610 3.632 -4.557 1.00 1.00 H new ATOM 1609 N GLN A 101 108.120 6.520 -4.252 1.00 1.00 N ATOM 1610 CA GLN A 101 107.512 7.666 -3.634 1.00 1.00 C ATOM 1611 C GLN A 101 107.755 8.934 -4.430 1.00 1.00 C ATOM 1612 O GLN A 101 106.829 9.705 -4.681 1.00 1.00 O ATOM 1613 CB GLN A 101 108.061 7.833 -2.218 1.00 1.00 C ATOM 1614 CG GLN A 101 107.310 8.956 -1.522 1.00 1.00 C ATOM 1615 CD GLN A 101 107.710 9.018 -0.051 1.00 1.00 C ATOM 1616 OE1 GLN A 101 108.874 9.269 0.270 1.00 1.00 O ATOM 1617 NE2 GLN A 101 106.810 8.798 0.871 1.00 1.00 N ATOM 0 H GLN A 101 108.787 6.018 -3.666 1.00 1.00 H new ATOM 0 HA GLN A 101 106.436 7.497 -3.602 1.00 1.00 H new ATOM 0 HB2 GLN A 101 107.949 6.904 -1.660 1.00 1.00 H new ATOM 0 HB3 GLN A 101 109.127 8.058 -2.252 1.00 1.00 H new ATOM 0 HG2 GLN A 101 107.530 9.907 -2.007 1.00 1.00 H new ATOM 0 HG3 GLN A 101 106.236 8.794 -1.609 1.00 1.00 H new ATOM 0 HE21 GLN A 101 105.847 8.590 0.605 1.00 1.00 H new ATOM 0 HE22 GLN A 101 107.070 8.834 1.857 1.00 1.00 H new ATOM 1626 N TYR A 102 109.008 9.161 -4.805 1.00 1.00 N ATOM 1627 CA TYR A 102 109.346 10.364 -5.541 1.00 1.00 C ATOM 1628 C TYR A 102 109.314 10.161 -7.050 1.00 1.00 C ATOM 1629 O TYR A 102 109.796 10.998 -7.812 1.00 1.00 O ATOM 1630 CB TYR A 102 110.720 10.899 -5.100 1.00 1.00 C ATOM 1631 CG TYR A 102 110.579 11.672 -3.793 1.00 1.00 C ATOM 1632 CD1 TYR A 102 109.728 12.790 -3.714 1.00 1.00 C ATOM 1633 CD2 TYR A 102 111.272 11.250 -2.645 1.00 1.00 C ATOM 1634 CE1 TYR A 102 109.569 13.467 -2.500 1.00 1.00 C ATOM 1635 CE2 TYR A 102 111.113 11.938 -1.438 1.00 1.00 C ATOM 1636 CZ TYR A 102 110.256 13.041 -1.362 1.00 1.00 C ATOM 1637 OH TYR A 102 110.089 13.708 -0.164 1.00 1.00 O ATOM 0 H TYR A 102 109.792 8.537 -4.614 1.00 1.00 H new ATOM 0 HA TYR A 102 108.580 11.102 -5.305 1.00 1.00 H new ATOM 0 HB2 TYR A 102 111.418 10.072 -4.970 1.00 1.00 H new ATOM 0 HB3 TYR A 102 111.133 11.547 -5.873 1.00 1.00 H new ATOM 0 HD1 TYR A 102 109.197 13.126 -4.592 1.00 1.00 H new ATOM 0 HD2 TYR A 102 111.928 10.393 -2.695 1.00 1.00 H new ATOM 0 HE1 TYR A 102 108.912 14.322 -2.443 1.00 1.00 H new ATOM 0 HE2 TYR A 102 111.654 11.616 -0.561 1.00 1.00 H new ATOM 0 HH TYR A 102 109.889 13.062 0.545 1.00 1.00 H new ATOM 1647 N LYS A 103 108.704 9.053 -7.475 1.00 1.00 N ATOM 1648 CA LYS A 103 108.558 8.749 -8.898 1.00 1.00 C ATOM 1649 C LYS A 103 109.882 8.873 -9.624 1.00 1.00 C ATOM 1650 O LYS A 103 109.973 9.540 -10.654 1.00 1.00 O ATOM 1651 CB LYS A 103 107.543 9.691 -9.542 1.00 1.00 C ATOM 1652 CG LYS A 103 106.151 9.422 -8.973 1.00 1.00 C ATOM 1653 CD LYS A 103 105.151 10.397 -9.593 1.00 1.00 C ATOM 1654 CE LYS A 103 103.756 10.099 -9.048 1.00 1.00 C ATOM 1655 NZ LYS A 103 102.787 11.101 -9.571 1.00 1.00 N ATOM 0 H LYS A 103 108.303 8.351 -6.853 1.00 1.00 H new ATOM 0 HA LYS A 103 108.207 7.720 -8.980 1.00 1.00 H new ATOM 0 HB2 LYS A 103 107.827 10.727 -9.357 1.00 1.00 H new ATOM 0 HB3 LYS A 103 107.537 9.550 -10.623 1.00 1.00 H new ATOM 0 HG2 LYS A 103 105.852 8.395 -9.184 1.00 1.00 H new ATOM 0 HG3 LYS A 103 106.161 9.535 -7.889 1.00 1.00 H new ATOM 0 HD2 LYS A 103 105.434 11.424 -9.360 1.00 1.00 H new ATOM 0 HD3 LYS A 103 105.158 10.303 -10.679 1.00 1.00 H new ATOM 0 HE2 LYS A 103 103.448 9.095 -9.340 1.00 1.00 H new ATOM 0 HE3 LYS A 103 103.768 10.125 -7.958 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 101.839 10.895 -9.198 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 103.077 12.054 -9.272 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 102.767 11.056 -10.610 1.00 1.00 H new ATOM 1669 N VAL A 104 110.903 8.227 -9.097 1.00 1.00 N ATOM 1670 CA VAL A 104 112.211 8.277 -9.721 1.00 1.00 C ATOM 1671 C VAL A 104 112.310 7.195 -10.790 1.00 1.00 C ATOM 1672 O VAL A 104 112.076 6.020 -10.511 1.00 1.00 O ATOM 1673 CB VAL A 104 113.294 8.069 -8.665 1.00 1.00 C ATOM 1674 CG1 VAL A 104 114.670 8.310 -9.277 1.00 1.00 C ATOM 1675 CG2 VAL A 104 113.073 9.049 -7.511 1.00 1.00 C ATOM 0 H VAL A 104 110.854 7.666 -8.246 1.00 1.00 H new ATOM 0 HA VAL A 104 112.353 9.252 -10.187 1.00 1.00 H new ATOM 0 HB VAL A 104 113.241 7.045 -8.294 1.00 1.00 H new ATOM 0 HG11 VAL A 104 115.437 8.160 -8.518 1.00 1.00 H new ATOM 0 HG12 VAL A 104 114.830 7.611 -10.098 1.00 1.00 H new ATOM 0 HG13 VAL A 104 114.727 9.331 -9.653 1.00 1.00 H new ATOM 0 HG21 VAL A 104 113.845 8.902 -6.756 1.00 1.00 H new ATOM 0 HG22 VAL A 104 113.123 10.071 -7.887 1.00 1.00 H new ATOM 0 HG23 VAL A 104 112.093 8.873 -7.067 1.00 1.00 H new ATOM 1685 N THR A 105 112.627 7.600 -12.023 1.00 1.00 N ATOM 1686 CA THR A 105 112.728 6.673 -13.138 1.00 1.00 C ATOM 1687 C THR A 105 114.136 6.656 -13.732 1.00 1.00 C ATOM 1688 O THR A 105 114.711 5.596 -13.975 1.00 1.00 O ATOM 1689 CB THR A 105 111.727 7.071 -14.225 1.00 1.00 C ATOM 1690 OG1 THR A 105 111.535 8.478 -14.196 1.00 1.00 O ATOM 1691 CG2 THR A 105 110.393 6.365 -13.984 1.00 1.00 C ATOM 0 H THR A 105 112.818 8.571 -12.268 1.00 1.00 H new ATOM 0 HA THR A 105 112.505 5.674 -12.764 1.00 1.00 H new ATOM 0 HB THR A 105 112.115 6.776 -15.200 1.00 1.00 H new ATOM 0 HG1 THR A 105 110.896 8.735 -14.893 1.00 1.00 H new ATOM 0 HG21 THR A 105 109.684 6.652 -14.761 1.00 1.00 H new ATOM 0 HG22 THR A 105 110.543 5.286 -14.010 1.00 1.00 H new ATOM 0 HG23 THR A 105 110.000 6.653 -13.009 1.00 1.00 H new ATOM 1699 N GLY A 106 114.666 7.852 -13.986 1.00 1.00 N ATOM 1700 CA GLY A 106 115.997 7.992 -14.581 1.00 1.00 C ATOM 1701 C GLY A 106 117.034 8.438 -13.556 1.00 1.00 C ATOM 1702 O GLY A 106 116.732 9.191 -12.635 1.00 1.00 O ATOM 0 H GLY A 106 114.197 8.736 -13.790 1.00 1.00 H new ATOM 0 HA2 GLY A 106 116.302 7.040 -15.016 1.00 1.00 H new ATOM 0 HA3 GLY A 106 115.956 8.716 -15.395 1.00 1.00 H new ATOM 1706 N PHE A 107 118.262 7.971 -13.748 1.00 1.00 N ATOM 1707 CA PHE A 107 119.372 8.315 -12.862 1.00 1.00 C ATOM 1708 C PHE A 107 120.524 8.936 -13.669 1.00 1.00 C ATOM 1709 O PHE A 107 120.703 8.603 -14.842 1.00 1.00 O ATOM 1710 CB PHE A 107 119.862 7.061 -12.147 1.00 1.00 C ATOM 1711 CG PHE A 107 118.999 5.893 -12.542 1.00 1.00 C ATOM 1712 CD1 PHE A 107 119.241 5.224 -13.743 1.00 1.00 C ATOM 1713 CD2 PHE A 107 117.958 5.477 -11.703 1.00 1.00 C ATOM 1714 CE1 PHE A 107 118.445 4.137 -14.112 1.00 1.00 C ATOM 1715 CE2 PHE A 107 117.160 4.388 -12.070 1.00 1.00 C ATOM 1716 CZ PHE A 107 117.403 3.719 -13.274 1.00 1.00 C ATOM 0 H PHE A 107 118.517 7.348 -14.515 1.00 1.00 H new ATOM 0 HA PHE A 107 119.026 9.042 -12.127 1.00 1.00 H new ATOM 0 HB2 PHE A 107 120.902 6.864 -12.407 1.00 1.00 H new ATOM 0 HB3 PHE A 107 119.825 7.206 -11.067 1.00 1.00 H new ATOM 0 HD1 PHE A 107 120.045 5.547 -14.388 1.00 1.00 H new ATOM 0 HD2 PHE A 107 117.771 5.996 -10.774 1.00 1.00 H new ATOM 0 HE1 PHE A 107 118.632 3.620 -15.041 1.00 1.00 H new ATOM 0 HE2 PHE A 107 116.357 4.064 -11.424 1.00 1.00 H new ATOM 0 HZ PHE A 107 116.786 2.879 -13.558 1.00 1.00 H new ATOM 1726 N PRO A 108 121.310 9.816 -13.082 1.00 1.00 N ATOM 1727 CA PRO A 108 121.155 10.268 -11.665 1.00 1.00 C ATOM 1728 C PRO A 108 120.048 11.292 -11.495 1.00 1.00 C ATOM 1729 O PRO A 108 119.857 12.157 -12.348 1.00 1.00 O ATOM 1730 CB PRO A 108 122.494 10.918 -11.359 1.00 1.00 C ATOM 1731 CG PRO A 108 122.933 11.482 -12.668 1.00 1.00 C ATOM 1732 CD PRO A 108 122.450 10.492 -13.730 1.00 1.00 C ATOM 0 HA PRO A 108 120.891 9.439 -11.008 1.00 1.00 H new ATOM 0 HB2 PRO A 108 122.395 11.697 -10.603 1.00 1.00 H new ATOM 0 HB3 PRO A 108 123.212 10.192 -10.977 1.00 1.00 H new ATOM 0 HG2 PRO A 108 122.505 12.471 -12.831 1.00 1.00 H new ATOM 0 HG3 PRO A 108 124.017 11.594 -12.702 1.00 1.00 H new ATOM 0 HD2 PRO A 108 122.147 11.002 -14.645 1.00 1.00 H new ATOM 0 HD3 PRO A 108 123.233 9.784 -14.004 1.00 1.00 H new ATOM 1740 N GLU A 109 119.337 11.209 -10.379 1.00 1.00 N ATOM 1741 CA GLU A 109 118.277 12.159 -10.106 1.00 1.00 C ATOM 1742 C GLU A 109 118.391 12.641 -8.669 1.00 1.00 C ATOM 1743 O GLU A 109 118.409 11.841 -7.734 1.00 1.00 O ATOM 1744 CB GLU A 109 116.915 11.521 -10.347 1.00 1.00 C ATOM 1745 CG GLU A 109 115.829 12.573 -10.173 1.00 1.00 C ATOM 1746 CD GLU A 109 114.476 11.951 -10.477 1.00 1.00 C ATOM 1747 OE1 GLU A 109 114.421 10.738 -10.593 1.00 1.00 O ATOM 1748 OE2 GLU A 109 113.518 12.692 -10.592 1.00 1.00 O ATOM 0 H GLU A 109 119.475 10.501 -9.658 1.00 1.00 H new ATOM 0 HA GLU A 109 118.376 13.010 -10.779 1.00 1.00 H new ATOM 0 HB2 GLU A 109 116.871 11.099 -11.351 1.00 1.00 H new ATOM 0 HB3 GLU A 109 116.757 10.699 -9.648 1.00 1.00 H new ATOM 0 HG2 GLU A 109 115.843 12.962 -9.155 1.00 1.00 H new ATOM 0 HG3 GLU A 109 116.013 13.416 -10.839 1.00 1.00 H new ATOM 1755 N LEU A 110 118.477 13.950 -8.497 1.00 1.00 N ATOM 1756 CA LEU A 110 118.597 14.556 -7.178 1.00 1.00 C ATOM 1757 C LEU A 110 117.323 15.344 -6.906 1.00 1.00 C ATOM 1758 O LEU A 110 116.958 16.236 -7.675 1.00 1.00 O ATOM 1759 CB LEU A 110 119.825 15.484 -7.184 1.00 1.00 C ATOM 1760 CG LEU A 110 120.674 15.335 -5.907 1.00 1.00 C ATOM 1761 CD1 LEU A 110 122.014 16.045 -6.108 1.00 1.00 C ATOM 1762 CD2 LEU A 110 119.983 15.980 -4.708 1.00 1.00 C ATOM 0 H LEU A 110 118.466 14.622 -9.264 1.00 1.00 H new ATOM 0 HA LEU A 110 118.726 13.805 -6.399 1.00 1.00 H new ATOM 0 HB2 LEU A 110 120.441 15.263 -8.056 1.00 1.00 H new ATOM 0 HB3 LEU A 110 119.496 16.519 -7.281 1.00 1.00 H new ATOM 0 HG LEU A 110 120.812 14.271 -5.718 1.00 1.00 H new ATOM 0 HD11 LEU A 110 122.619 15.943 -5.207 1.00 1.00 H new ATOM 0 HD12 LEU A 110 122.540 15.597 -6.951 1.00 1.00 H new ATOM 0 HD13 LEU A 110 121.839 17.102 -6.309 1.00 1.00 H new ATOM 0 HD21 LEU A 110 120.605 15.859 -3.821 1.00 1.00 H new ATOM 0 HD22 LEU A 110 119.831 17.042 -4.903 1.00 1.00 H new ATOM 0 HD23 LEU A 110 119.018 15.500 -4.542 1.00 1.00 H new ATOM 1774 N VAL A 111 116.629 14.979 -5.830 1.00 1.00 N ATOM 1775 CA VAL A 111 115.371 15.626 -5.478 1.00 1.00 C ATOM 1776 C VAL A 111 115.471 16.352 -4.147 1.00 1.00 C ATOM 1777 O VAL A 111 115.930 15.786 -3.157 1.00 1.00 O ATOM 1778 CB VAL A 111 114.255 14.582 -5.411 1.00 1.00 C ATOM 1779 CG1 VAL A 111 113.824 14.198 -6.824 1.00 1.00 C ATOM 1780 CG2 VAL A 111 114.780 13.355 -4.698 1.00 1.00 C ATOM 0 H VAL A 111 116.917 14.240 -5.189 1.00 1.00 H new ATOM 0 HA VAL A 111 115.145 16.363 -6.249 1.00 1.00 H new ATOM 0 HB VAL A 111 113.399 14.991 -4.874 1.00 1.00 H new ATOM 0 HG11 VAL A 111 113.029 13.454 -6.772 1.00 1.00 H new ATOM 0 HG12 VAL A 111 113.460 15.083 -7.346 1.00 1.00 H new ATOM 0 HG13 VAL A 111 114.675 13.783 -7.364 1.00 1.00 H new ATOM 0 HG21 VAL A 111 113.994 12.602 -4.643 1.00 1.00 H new ATOM 0 HG22 VAL A 111 115.631 12.952 -5.247 1.00 1.00 H new ATOM 0 HG23 VAL A 111 115.094 13.626 -3.690 1.00 1.00 H new ATOM 1790 N PHE A 112 115.049 17.605 -4.120 1.00 1.00 N ATOM 1791 CA PHE A 112 115.104 18.394 -2.903 1.00 1.00 C ATOM 1792 C PHE A 112 113.745 18.409 -2.234 1.00 1.00 C ATOM 1793 O PHE A 112 112.746 18.779 -2.853 1.00 1.00 O ATOM 1794 CB PHE A 112 115.549 19.807 -3.246 1.00 1.00 C ATOM 1795 CG PHE A 112 116.890 19.698 -3.916 1.00 1.00 C ATOM 1796 CD1 PHE A 112 118.030 19.485 -3.141 1.00 1.00 C ATOM 1797 CD2 PHE A 112 116.992 19.774 -5.312 1.00 1.00 C ATOM 1798 CE1 PHE A 112 119.280 19.354 -3.753 1.00 1.00 C ATOM 1799 CE2 PHE A 112 118.241 19.638 -5.927 1.00 1.00 C ATOM 1800 CZ PHE A 112 119.387 19.428 -5.146 1.00 1.00 C ATOM 0 H PHE A 112 114.665 18.097 -4.927 1.00 1.00 H new ATOM 0 HA PHE A 112 115.820 17.953 -2.209 1.00 1.00 H new ATOM 0 HB2 PHE A 112 114.827 20.289 -3.905 1.00 1.00 H new ATOM 0 HB3 PHE A 112 115.617 20.419 -2.346 1.00 1.00 H new ATOM 0 HD1 PHE A 112 117.947 19.421 -2.066 1.00 1.00 H new ATOM 0 HD2 PHE A 112 116.108 19.937 -5.911 1.00 1.00 H new ATOM 0 HE1 PHE A 112 120.163 19.196 -3.151 1.00 1.00 H new ATOM 0 HE2 PHE A 112 118.323 19.695 -7.002 1.00 1.00 H new ATOM 0 HZ PHE A 112 120.352 19.323 -5.620 1.00 1.00 H new ATOM 1810 N ILE A 113 113.725 17.986 -0.967 1.00 1.00 N ATOM 1811 CA ILE A 113 112.485 17.934 -0.195 1.00 1.00 C ATOM 1812 C ILE A 113 112.662 18.592 1.165 1.00 1.00 C ATOM 1813 O ILE A 113 113.768 18.686 1.687 1.00 1.00 O ATOM 1814 CB ILE A 113 112.006 16.485 -0.040 1.00 1.00 C ATOM 1815 CG1 ILE A 113 113.091 15.651 0.634 1.00 1.00 C ATOM 1816 CG2 ILE A 113 111.685 15.903 -1.419 1.00 1.00 C ATOM 1817 CD1 ILE A 113 112.548 14.263 0.978 1.00 1.00 C ATOM 0 H ILE A 113 114.552 17.676 -0.457 1.00 1.00 H new ATOM 0 HA ILE A 113 111.723 18.491 -0.740 1.00 1.00 H new ATOM 0 HB ILE A 113 111.108 16.465 0.578 1.00 1.00 H new ATOM 0 HG12 ILE A 113 113.953 15.559 -0.026 1.00 1.00 H new ATOM 0 HG13 ILE A 113 113.435 16.151 1.540 1.00 1.00 H new ATOM 0 HG21 ILE A 113 111.345 14.873 -1.309 1.00 1.00 H new ATOM 0 HG22 ILE A 113 110.901 16.496 -1.891 1.00 1.00 H new ATOM 0 HG23 ILE A 113 112.580 15.925 -2.040 1.00 1.00 H new ATOM 0 HD11 ILE A 113 113.330 13.675 1.459 1.00 1.00 H new ATOM 0 HD12 ILE A 113 111.700 14.362 1.656 1.00 1.00 H new ATOM 0 HD13 ILE A 113 112.227 13.762 0.065 1.00 1.00 H new ATOM 1829 N ASP A 114 111.531 18.992 1.740 1.00 1.00 N ATOM 1830 CA ASP A 114 111.505 19.589 3.064 1.00 1.00 C ATOM 1831 C ASP A 114 111.252 18.481 4.079 1.00 1.00 C ATOM 1832 O ASP A 114 111.165 17.307 3.723 1.00 1.00 O ATOM 1833 CB ASP A 114 110.396 20.648 3.159 1.00 1.00 C ATOM 1834 CG ASP A 114 110.845 21.967 2.527 1.00 1.00 C ATOM 1835 OD1 ASP A 114 112.023 22.102 2.242 1.00 1.00 O ATOM 1836 OD2 ASP A 114 109.996 22.824 2.341 1.00 1.00 O ATOM 0 H ASP A 114 110.614 18.910 1.301 1.00 1.00 H new ATOM 0 HA ASP A 114 112.457 20.080 3.265 1.00 1.00 H new ATOM 0 HB2 ASP A 114 109.499 20.287 2.657 1.00 1.00 H new ATOM 0 HB3 ASP A 114 110.133 20.812 4.204 1.00 1.00 H new ATOM 1841 N ALA A 115 111.165 18.850 5.337 1.00 1.00 N ATOM 1842 CA ALA A 115 110.953 17.890 6.417 1.00 1.00 C ATOM 1843 C ALA A 115 109.538 17.302 6.401 1.00 1.00 C ATOM 1844 O ALA A 115 109.279 16.294 7.065 1.00 1.00 O ATOM 1845 CB ALA A 115 111.197 18.600 7.745 1.00 1.00 C ATOM 0 H ALA A 115 111.238 19.819 5.648 1.00 1.00 H new ATOM 0 HA ALA A 115 111.647 17.060 6.282 1.00 1.00 H new ATOM 0 HB1 ALA A 115 111.044 17.899 8.566 1.00 1.00 H new ATOM 0 HB2 ALA A 115 112.220 18.975 7.774 1.00 1.00 H new ATOM 0 HB3 ALA A 115 110.502 19.434 7.845 1.00 1.00 H new ATOM 1851 N GLU A 116 108.632 17.902 5.634 1.00 1.00 N ATOM 1852 CA GLU A 116 107.263 17.394 5.533 1.00 1.00 C ATOM 1853 C GLU A 116 107.134 16.536 4.285 1.00 1.00 C ATOM 1854 O GLU A 116 106.076 15.963 4.022 1.00 1.00 O ATOM 1855 CB GLU A 116 106.271 18.547 5.443 1.00 1.00 C ATOM 1856 CG GLU A 116 106.233 19.291 6.773 1.00 1.00 C ATOM 1857 CD GLU A 116 105.359 20.530 6.645 1.00 1.00 C ATOM 1858 OE1 GLU A 116 104.887 20.785 5.550 1.00 1.00 O ATOM 1859 OE2 GLU A 116 105.181 21.211 7.641 1.00 1.00 O ATOM 0 H GLU A 116 108.817 18.735 5.076 1.00 1.00 H new ATOM 0 HA GLU A 116 107.044 16.803 6.422 1.00 1.00 H new ATOM 0 HB2 GLU A 116 106.560 19.227 4.642 1.00 1.00 H new ATOM 0 HB3 GLU A 116 105.279 18.169 5.198 1.00 1.00 H new ATOM 0 HG2 GLU A 116 105.843 18.639 7.554 1.00 1.00 H new ATOM 0 HG3 GLU A 116 107.242 19.576 7.070 1.00 1.00 H new ATOM 1866 N GLY A 117 108.216 16.434 3.534 1.00 1.00 N ATOM 1867 CA GLY A 117 108.208 15.624 2.330 1.00 1.00 C ATOM 1868 C GLY A 117 107.740 16.412 1.110 1.00 1.00 C ATOM 1869 O GLY A 117 107.445 15.825 0.070 1.00 1.00 O ATOM 0 H GLY A 117 109.103 16.897 3.734 1.00 1.00 H new ATOM 0 HA2 GLY A 117 109.210 15.237 2.148 1.00 1.00 H new ATOM 0 HA3 GLY A 117 107.555 14.763 2.477 1.00 1.00 H new ATOM 1873 N LYS A 118 107.701 17.742 1.213 1.00 1.00 N ATOM 1874 CA LYS A 118 107.299 18.565 0.079 1.00 1.00 C ATOM 1875 C LYS A 118 108.480 18.760 -0.845 1.00 1.00 C ATOM 1876 O LYS A 118 109.589 18.971 -0.386 1.00 1.00 O ATOM 1877 CB LYS A 118 106.787 19.923 0.551 1.00 1.00 C ATOM 1878 CG LYS A 118 105.400 19.753 1.156 1.00 1.00 C ATOM 1879 CD LYS A 118 104.927 21.088 1.737 1.00 1.00 C ATOM 1880 CE LYS A 118 103.552 20.908 2.385 1.00 1.00 C ATOM 1881 NZ LYS A 118 103.102 22.200 2.975 1.00 1.00 N ATOM 0 H LYS A 118 107.939 18.262 2.057 1.00 1.00 H new ATOM 0 HA LYS A 118 106.494 18.058 -0.453 1.00 1.00 H new ATOM 0 HB2 LYS A 118 107.469 20.346 1.289 1.00 1.00 H new ATOM 0 HB3 LYS A 118 106.749 20.621 -0.285 1.00 1.00 H new ATOM 0 HG2 LYS A 118 104.700 19.407 0.395 1.00 1.00 H new ATOM 0 HG3 LYS A 118 105.423 18.993 1.937 1.00 1.00 H new ATOM 0 HD2 LYS A 118 105.643 21.449 2.475 1.00 1.00 H new ATOM 0 HD3 LYS A 118 104.874 21.840 0.950 1.00 1.00 H new ATOM 0 HE2 LYS A 118 102.831 20.566 1.642 1.00 1.00 H new ATOM 0 HE3 LYS A 118 103.601 20.141 3.158 1.00 1.00 H new ATOM 0 HZ1 LYS A 118 102.168 22.074 3.414 1.00 1.00 H new ATOM 0 HZ2 LYS A 118 103.785 22.509 3.696 1.00 1.00 H new ATOM 0 HZ3 LYS A 118 103.039 22.920 2.227 1.00 1.00 H new ATOM 1895 N GLN A 119 108.241 18.665 -2.140 1.00 1.00 N ATOM 1896 CA GLN A 119 109.310 18.807 -3.113 1.00 1.00 C ATOM 1897 C GLN A 119 109.575 20.277 -3.438 1.00 1.00 C ATOM 1898 O GLN A 119 108.668 21.003 -3.850 1.00 1.00 O ATOM 1899 CB GLN A 119 108.939 18.010 -4.365 1.00 1.00 C ATOM 1900 CG GLN A 119 109.539 18.658 -5.603 1.00 1.00 C ATOM 1901 CD GLN A 119 109.389 17.726 -6.794 1.00 1.00 C ATOM 1902 OE1 GLN A 119 108.273 17.341 -7.146 1.00 1.00 O ATOM 1903 NE2 GLN A 119 110.451 17.343 -7.441 1.00 1.00 N ATOM 0 H GLN A 119 107.320 18.491 -2.542 1.00 1.00 H new ATOM 0 HA GLN A 119 110.237 18.412 -2.697 1.00 1.00 H new ATOM 0 HB2 GLN A 119 109.300 16.986 -4.272 1.00 1.00 H new ATOM 0 HB3 GLN A 119 107.855 17.958 -4.463 1.00 1.00 H new ATOM 0 HG2 GLN A 119 109.041 19.606 -5.806 1.00 1.00 H new ATOM 0 HG3 GLN A 119 110.593 18.881 -5.434 1.00 1.00 H new ATOM 0 HE21 GLN A 119 111.372 17.665 -7.145 1.00 1.00 H new ATOM 0 HE22 GLN A 119 110.362 16.721 -8.244 1.00 1.00 H new ATOM 1912 N LEU A 120 110.828 20.710 -3.265 1.00 1.00 N ATOM 1913 CA LEU A 120 111.183 22.097 -3.562 1.00 1.00 C ATOM 1914 C LEU A 120 111.805 22.217 -4.944 1.00 1.00 C ATOM 1915 O LEU A 120 111.701 23.266 -5.582 1.00 1.00 O ATOM 1916 CB LEU A 120 112.186 22.682 -2.540 1.00 1.00 C ATOM 1917 CG LEU A 120 111.692 22.538 -1.087 1.00 1.00 C ATOM 1918 CD1 LEU A 120 110.192 22.797 -1.008 1.00 1.00 C ATOM 1919 CD2 LEU A 120 111.990 21.134 -0.561 1.00 1.00 C ATOM 0 H LEU A 120 111.598 20.132 -2.928 1.00 1.00 H new ATOM 0 HA LEU A 120 110.251 22.659 -3.510 1.00 1.00 H new ATOM 0 HB2 LEU A 120 113.146 22.177 -2.647 1.00 1.00 H new ATOM 0 HB3 LEU A 120 112.354 23.736 -2.762 1.00 1.00 H new ATOM 0 HG LEU A 120 112.217 23.272 -0.475 1.00 1.00 H new ATOM 0 HD11 LEU A 120 109.858 22.692 0.024 1.00 1.00 H new ATOM 0 HD12 LEU A 120 109.978 23.807 -1.357 1.00 1.00 H new ATOM 0 HD13 LEU A 120 109.665 22.078 -1.635 1.00 1.00 H new ATOM 0 HD21 LEU A 120 111.635 21.047 0.466 1.00 1.00 H new ATOM 0 HD22 LEU A 120 111.483 20.397 -1.183 1.00 1.00 H new ATOM 0 HD23 LEU A 120 113.065 20.955 -0.590 1.00 1.00 H new ATOM 1931 N ALA A 121 112.446 21.143 -5.407 1.00 1.00 N ATOM 1932 CA ALA A 121 113.072 21.150 -6.728 1.00 1.00 C ATOM 1933 C ALA A 121 113.726 19.807 -7.036 1.00 1.00 C ATOM 1934 O ALA A 121 113.939 18.986 -6.144 1.00 1.00 O ATOM 1935 CB ALA A 121 114.136 22.247 -6.820 1.00 1.00 C ATOM 0 H ALA A 121 112.544 20.267 -4.893 1.00 1.00 H new ATOM 0 HA ALA A 121 112.283 21.341 -7.456 1.00 1.00 H new ATOM 0 HB1 ALA A 121 114.588 22.233 -7.812 1.00 1.00 H new ATOM 0 HB2 ALA A 121 113.673 23.218 -6.646 1.00 1.00 H new ATOM 0 HB3 ALA A 121 114.905 22.072 -6.068 1.00 1.00 H new ATOM 1941 N ARG A 122 114.059 19.599 -8.300 1.00 1.00 N ATOM 1942 CA ARG A 122 114.703 18.360 -8.710 1.00 1.00 C ATOM 1943 C ARG A 122 115.646 18.607 -9.880 1.00 1.00 C ATOM 1944 O ARG A 122 115.348 19.401 -10.774 1.00 1.00 O ATOM 1945 CB ARG A 122 113.643 17.325 -9.101 1.00 1.00 C ATOM 1946 CG ARG A 122 112.877 17.788 -10.350 1.00 1.00 C ATOM 1947 CD ARG A 122 111.775 16.765 -10.659 1.00 1.00 C ATOM 1948 NE ARG A 122 111.020 17.134 -11.856 1.00 1.00 N ATOM 1949 CZ ARG A 122 109.869 16.526 -12.155 1.00 1.00 C ATOM 1950 NH1 ARG A 122 109.392 15.597 -11.368 1.00 1.00 N ATOM 1951 NH2 ARG A 122 109.218 16.854 -13.240 1.00 1.00 N ATOM 0 H ARG A 122 113.896 20.266 -9.055 1.00 1.00 H new ATOM 0 HA ARG A 122 115.285 17.978 -7.872 1.00 1.00 H new ATOM 0 HB2 ARG A 122 114.118 16.363 -9.294 1.00 1.00 H new ATOM 0 HB3 ARG A 122 112.948 17.177 -8.275 1.00 1.00 H new ATOM 0 HG2 ARG A 122 112.442 18.773 -10.183 1.00 1.00 H new ATOM 0 HG3 ARG A 122 113.556 17.879 -11.198 1.00 1.00 H new ATOM 0 HD2 ARG A 122 112.220 15.780 -10.798 1.00 1.00 H new ATOM 0 HD3 ARG A 122 111.097 16.691 -9.809 1.00 1.00 H new ATOM 0 HE ARG A 122 111.377 17.865 -12.471 1.00 1.00 H new ATOM 0 HH11 ARG A 122 109.899 15.335 -10.523 1.00 1.00 H new ATOM 0 HH12 ARG A 122 108.513 15.135 -11.599 1.00 1.00 H new ATOM 0 HH21 ARG A 122 109.589 17.575 -13.859 1.00 1.00 H new ATOM 0 HH22 ARG A 122 108.339 16.389 -13.468 1.00 1.00 H new ATOM 1965 N MET A 123 116.773 17.894 -9.880 1.00 1.00 N ATOM 1966 CA MET A 123 117.740 18.016 -10.961 1.00 1.00 C ATOM 1967 C MET A 123 118.428 16.679 -11.242 1.00 1.00 C ATOM 1968 O MET A 123 118.453 15.784 -10.397 1.00 1.00 O ATOM 1969 CB MET A 123 118.809 19.054 -10.628 1.00 1.00 C ATOM 1970 CG MET A 123 118.161 20.407 -10.328 1.00 1.00 C ATOM 1971 SD MET A 123 119.417 21.704 -10.427 1.00 1.00 S ATOM 1972 CE MET A 123 120.049 21.508 -8.747 1.00 1.00 C ATOM 0 H MET A 123 117.033 17.233 -9.148 1.00 1.00 H new ATOM 0 HA MET A 123 117.187 18.332 -11.846 1.00 1.00 H new ATOM 0 HB2 MET A 123 119.391 18.723 -9.768 1.00 1.00 H new ATOM 0 HB3 MET A 123 119.502 19.153 -11.463 1.00 1.00 H new ATOM 0 HG2 MET A 123 117.360 20.605 -11.040 1.00 1.00 H new ATOM 0 HG3 MET A 123 117.710 20.396 -9.336 1.00 1.00 H new ATOM 0 HE1 MET A 123 121.105 21.778 -8.722 1.00 1.00 H new ATOM 0 HE2 MET A 123 119.492 22.157 -8.071 1.00 1.00 H new ATOM 0 HE3 MET A 123 119.932 20.471 -8.433 1.00 1.00 H new ATOM 1982 N GLY A 124 118.981 16.560 -12.442 1.00 1.00 N ATOM 1983 CA GLY A 124 119.670 15.336 -12.852 1.00 1.00 C ATOM 1984 C GLY A 124 121.122 15.630 -13.191 1.00 1.00 C ATOM 1985 O GLY A 124 121.743 16.503 -12.584 1.00 1.00 O ATOM 0 H GLY A 124 118.968 17.294 -13.150 1.00 1.00 H new ATOM 0 HA2 GLY A 124 119.620 14.598 -12.052 1.00 1.00 H new ATOM 0 HA3 GLY A 124 119.169 14.902 -13.717 1.00 1.00 H new ATOM 1989 N PHE A 125 121.651 14.931 -14.185 1.00 1.00 N ATOM 1990 CA PHE A 125 123.012 15.184 -14.607 1.00 1.00 C ATOM 1991 C PHE A 125 122.985 16.372 -15.540 1.00 1.00 C ATOM 1992 O PHE A 125 122.194 16.401 -16.478 1.00 1.00 O ATOM 1993 CB PHE A 125 123.611 13.985 -15.339 1.00 1.00 C ATOM 1994 CG PHE A 125 124.895 14.425 -16.010 1.00 1.00 C ATOM 1995 CD1 PHE A 125 125.962 14.903 -15.233 1.00 1.00 C ATOM 1996 CD2 PHE A 125 125.019 14.369 -17.404 1.00 1.00 C ATOM 1997 CE1 PHE A 125 127.146 15.323 -15.850 1.00 1.00 C ATOM 1998 CE2 PHE A 125 126.205 14.788 -18.020 1.00 1.00 C ATOM 1999 CZ PHE A 125 127.268 15.264 -17.243 1.00 1.00 C ATOM 0 H PHE A 125 121.166 14.199 -14.703 1.00 1.00 H new ATOM 0 HA PHE A 125 123.629 15.373 -13.729 1.00 1.00 H new ATOM 0 HB2 PHE A 125 123.808 13.173 -14.639 1.00 1.00 H new ATOM 0 HB3 PHE A 125 122.908 13.603 -16.079 1.00 1.00 H new ATOM 0 HD1 PHE A 125 125.869 14.947 -14.158 1.00 1.00 H new ATOM 0 HD2 PHE A 125 124.199 14.002 -18.004 1.00 1.00 H new ATOM 0 HE1 PHE A 125 127.965 15.693 -15.251 1.00 1.00 H new ATOM 0 HE2 PHE A 125 126.300 14.744 -19.095 1.00 1.00 H new ATOM 0 HZ PHE A 125 128.183 15.586 -17.719 1.00 1.00 H new ATOM 2009 N GLU A 126 123.826 17.352 -15.287 1.00 1.00 N ATOM 2010 CA GLU A 126 123.849 18.533 -16.129 1.00 1.00 C ATOM 2011 C GLU A 126 125.277 19.050 -16.276 1.00 1.00 C ATOM 2012 O GLU A 126 126.032 19.045 -15.304 1.00 1.00 O ATOM 2013 CB GLU A 126 122.975 19.615 -15.505 1.00 1.00 C ATOM 2014 CG GLU A 126 121.501 19.308 -15.760 1.00 1.00 C ATOM 2015 CD GLU A 126 120.645 20.324 -15.019 1.00 1.00 C ATOM 2016 OE1 GLU A 126 121.218 21.193 -14.381 1.00 1.00 O ATOM 2017 OE2 GLU A 126 119.433 20.223 -15.099 1.00 1.00 O ATOM 0 H GLU A 126 124.495 17.358 -14.517 1.00 1.00 H new ATOM 0 HA GLU A 126 123.466 18.274 -17.116 1.00 1.00 H new ATOM 0 HB2 GLU A 126 123.163 19.672 -14.433 1.00 1.00 H new ATOM 0 HB3 GLU A 126 123.230 20.588 -15.926 1.00 1.00 H new ATOM 0 HG2 GLU A 126 121.289 19.345 -16.828 1.00 1.00 H new ATOM 0 HG3 GLU A 126 121.263 18.299 -15.423 1.00 1.00 H new ATOM 2024 N PRO A 127 125.674 19.496 -17.448 1.00 1.00 N ATOM 2025 CA PRO A 127 127.051 20.020 -17.666 1.00 1.00 C ATOM 2026 C PRO A 127 127.276 21.391 -17.038 1.00 1.00 C ATOM 2027 O PRO A 127 126.336 22.159 -16.830 1.00 1.00 O ATOM 2028 CB PRO A 127 127.164 20.112 -19.183 1.00 1.00 C ATOM 2029 CG PRO A 127 125.774 20.359 -19.640 1.00 1.00 C ATOM 2030 CD PRO A 127 124.878 19.560 -18.692 1.00 1.00 C ATOM 0 HA PRO A 127 127.797 19.375 -17.202 1.00 1.00 H new ATOM 0 HB2 PRO A 127 127.831 20.920 -19.484 1.00 1.00 H new ATOM 0 HB3 PRO A 127 127.565 19.192 -19.609 1.00 1.00 H new ATOM 0 HG2 PRO A 127 125.533 21.421 -19.604 1.00 1.00 H new ATOM 0 HG3 PRO A 127 125.638 20.036 -20.672 1.00 1.00 H new ATOM 0 HD2 PRO A 127 123.920 20.054 -18.532 1.00 1.00 H new ATOM 0 HD3 PRO A 127 124.663 18.566 -19.084 1.00 1.00 H new ATOM 2038 N GLY A 128 128.542 21.685 -16.752 1.00 1.00 N ATOM 2039 CA GLY A 128 128.903 22.968 -16.160 1.00 1.00 C ATOM 2040 C GLY A 128 129.744 22.810 -14.906 1.00 1.00 C ATOM 2041 O GLY A 128 130.458 23.743 -14.539 1.00 1.00 O ATOM 0 H GLY A 128 129.328 21.057 -16.919 1.00 1.00 H new ATOM 0 HA2 GLY A 128 129.453 23.561 -16.891 1.00 1.00 H new ATOM 0 HA3 GLY A 128 127.996 23.522 -15.919 1.00 1.00 H new ATOM 2045 N GLY A 129 129.710 21.658 -14.249 1.00 1.00 N ATOM 2046 CA GLY A 129 130.529 21.467 -13.066 1.00 1.00 C ATOM 2047 C GLY A 129 129.784 21.766 -11.762 1.00 1.00 C ATOM 2048 O GLY A 129 128.592 22.072 -11.759 1.00 1.00 O ATOM 0 H GLY A 129 129.135 20.857 -14.511 1.00 1.00 H new ATOM 0 HA2 GLY A 129 130.889 20.438 -13.044 1.00 1.00 H new ATOM 0 HA3 GLY A 129 131.406 22.111 -13.132 1.00 1.00 H new ATOM 2052 N GLY A 130 130.498 21.582 -10.655 1.00 1.00 N ATOM 2053 CA GLY A 130 129.906 21.743 -9.330 1.00 1.00 C ATOM 2054 C GLY A 130 129.431 23.159 -9.024 1.00 1.00 C ATOM 2055 O GLY A 130 128.359 23.342 -8.449 1.00 1.00 O ATOM 0 H GLY A 130 131.484 21.322 -10.649 1.00 1.00 H new ATOM 0 HA2 GLY A 130 129.061 21.061 -9.237 1.00 1.00 H new ATOM 0 HA3 GLY A 130 130.639 21.448 -8.579 1.00 1.00 H new ATOM 2059 N ALA A 131 130.221 24.154 -9.386 1.00 1.00 N ATOM 2060 CA ALA A 131 129.858 25.535 -9.120 1.00 1.00 C ATOM 2061 C ALA A 131 128.547 25.888 -9.806 1.00 1.00 C ATOM 2062 O ALA A 131 127.664 26.511 -9.214 1.00 1.00 O ATOM 2063 CB ALA A 131 130.947 26.454 -9.668 1.00 1.00 C ATOM 0 H ALA A 131 131.114 24.033 -9.863 1.00 1.00 H new ATOM 0 HA ALA A 131 129.748 25.662 -8.043 1.00 1.00 H new ATOM 0 HB1 ALA A 131 130.680 27.492 -9.471 1.00 1.00 H new ATOM 0 HB2 ALA A 131 131.895 26.225 -9.182 1.00 1.00 H new ATOM 0 HB3 ALA A 131 131.044 26.302 -10.743 1.00 1.00 H new ATOM 2069 N ALA A 132 128.441 25.532 -11.068 1.00 1.00 N ATOM 2070 CA ALA A 132 127.254 25.849 -11.832 1.00 1.00 C ATOM 2071 C ALA A 132 126.016 25.142 -11.276 1.00 1.00 C ATOM 2072 O ALA A 132 124.926 25.717 -11.240 1.00 1.00 O ATOM 2073 CB ALA A 132 127.476 25.441 -13.289 1.00 1.00 C ATOM 0 H ALA A 132 129.159 25.025 -11.585 1.00 1.00 H new ATOM 0 HA ALA A 132 127.077 26.922 -11.763 1.00 1.00 H new ATOM 0 HB1 ALA A 132 126.586 25.676 -13.872 1.00 1.00 H new ATOM 0 HB2 ALA A 132 128.329 25.985 -13.693 1.00 1.00 H new ATOM 0 HB3 ALA A 132 127.671 24.370 -13.341 1.00 1.00 H new ATOM 2079 N TYR A 133 126.183 23.894 -10.854 1.00 1.00 N ATOM 2080 CA TYR A 133 125.077 23.103 -10.323 1.00 1.00 C ATOM 2081 C TYR A 133 124.494 23.725 -9.059 1.00 1.00 C ATOM 2082 O TYR A 133 123.279 23.742 -8.878 1.00 1.00 O ATOM 2083 CB TYR A 133 125.567 21.694 -10.010 1.00 1.00 C ATOM 2084 CG TYR A 133 124.405 20.839 -9.571 1.00 1.00 C ATOM 2085 CD1 TYR A 133 123.949 20.908 -8.251 1.00 1.00 C ATOM 2086 CD2 TYR A 133 123.782 19.974 -10.483 1.00 1.00 C ATOM 2087 CE1 TYR A 133 122.876 20.113 -7.837 1.00 1.00 C ATOM 2088 CE2 TYR A 133 122.709 19.179 -10.069 1.00 1.00 C ATOM 2089 CZ TYR A 133 122.256 19.248 -8.749 1.00 1.00 C ATOM 2090 OH TYR A 133 121.202 18.457 -8.338 1.00 1.00 O ATOM 0 H TYR A 133 127.078 23.405 -10.869 1.00 1.00 H new ATOM 0 HA TYR A 133 124.292 23.074 -11.079 1.00 1.00 H new ATOM 0 HB2 TYR A 133 126.039 21.259 -10.891 1.00 1.00 H new ATOM 0 HB3 TYR A 133 126.324 21.727 -9.226 1.00 1.00 H new ATOM 0 HD1 TYR A 133 124.426 21.577 -7.550 1.00 1.00 H new ATOM 0 HD2 TYR A 133 124.131 19.922 -11.504 1.00 1.00 H new ATOM 0 HE1 TYR A 133 122.526 20.165 -6.817 1.00 1.00 H new ATOM 0 HE2 TYR A 133 122.230 18.511 -10.770 1.00 1.00 H new ATOM 0 HH TYR A 133 120.864 18.784 -7.478 1.00 1.00 H new ATOM 2100 N VAL A 134 125.353 24.204 -8.172 1.00 1.00 N ATOM 2101 CA VAL A 134 124.863 24.778 -6.938 1.00 1.00 C ATOM 2102 C VAL A 134 124.090 26.068 -7.191 1.00 1.00 C ATOM 2103 O VAL A 134 123.116 26.346 -6.514 1.00 1.00 O ATOM 2104 CB VAL A 134 125.997 24.996 -5.951 1.00 1.00 C ATOM 2105 CG1 VAL A 134 126.588 23.644 -5.569 1.00 1.00 C ATOM 2106 CG2 VAL A 134 127.074 25.858 -6.567 1.00 1.00 C ATOM 0 H VAL A 134 126.367 24.206 -8.282 1.00 1.00 H new ATOM 0 HA VAL A 134 124.168 24.066 -6.494 1.00 1.00 H new ATOM 0 HB VAL A 134 125.609 25.500 -5.066 1.00 1.00 H new ATOM 0 HG11 VAL A 134 127.403 23.790 -4.860 1.00 1.00 H new ATOM 0 HG12 VAL A 134 125.816 23.026 -5.111 1.00 1.00 H new ATOM 0 HG13 VAL A 134 126.968 23.148 -6.462 1.00 1.00 H new ATOM 0 HG21 VAL A 134 127.879 26.005 -5.847 1.00 1.00 H new ATOM 0 HG22 VAL A 134 127.468 25.367 -7.457 1.00 1.00 H new ATOM 0 HG23 VAL A 134 126.653 26.825 -6.842 1.00 1.00 H new ATOM 2116 N SER A 135 124.499 26.867 -8.164 1.00 1.00 N ATOM 2117 CA SER A 135 123.760 28.096 -8.438 1.00 1.00 C ATOM 2118 C SER A 135 122.313 27.750 -8.796 1.00 1.00 C ATOM 2119 O SER A 135 121.371 28.445 -8.398 1.00 1.00 O ATOM 2120 CB SER A 135 124.413 28.864 -9.591 1.00 1.00 C ATOM 2121 OG SER A 135 125.656 29.396 -9.153 1.00 1.00 O ATOM 0 H SER A 135 125.309 26.699 -8.760 1.00 1.00 H new ATOM 0 HA SER A 135 123.775 28.726 -7.549 1.00 1.00 H new ATOM 0 HB2 SER A 135 124.567 28.202 -10.443 1.00 1.00 H new ATOM 0 HB3 SER A 135 123.757 29.668 -9.926 1.00 1.00 H new ATOM 0 HG SER A 135 126.079 29.887 -9.888 1.00 1.00 H new ATOM 2127 N LYS A 136 122.160 26.679 -9.579 1.00 1.00 N ATOM 2128 CA LYS A 136 120.840 26.239 -10.038 1.00 1.00 C ATOM 2129 C LYS A 136 119.938 25.821 -8.877 1.00 1.00 C ATOM 2130 O LYS A 136 118.754 26.159 -8.846 1.00 1.00 O ATOM 2131 CB LYS A 136 120.984 25.041 -10.991 1.00 1.00 C ATOM 2132 CG LYS A 136 121.735 25.460 -12.258 1.00 1.00 C ATOM 2133 CD LYS A 136 121.859 24.254 -13.193 1.00 1.00 C ATOM 2134 CE LYS A 136 122.583 24.664 -14.475 1.00 1.00 C ATOM 2135 NZ LYS A 136 122.689 23.483 -15.381 1.00 1.00 N ATOM 0 H LYS A 136 122.933 26.101 -9.908 1.00 1.00 H new ATOM 0 HA LYS A 136 120.384 27.087 -10.549 1.00 1.00 H new ATOM 0 HB2 LYS A 136 121.519 24.233 -10.493 1.00 1.00 H new ATOM 0 HB3 LYS A 136 119.999 24.656 -11.254 1.00 1.00 H new ATOM 0 HG2 LYS A 136 121.204 26.270 -12.758 1.00 1.00 H new ATOM 0 HG3 LYS A 136 122.724 25.838 -12.000 1.00 1.00 H new ATOM 0 HD2 LYS A 136 122.406 23.452 -12.697 1.00 1.00 H new ATOM 0 HD3 LYS A 136 120.869 23.865 -13.432 1.00 1.00 H new ATOM 0 HE2 LYS A 136 122.041 25.469 -14.971 1.00 1.00 H new ATOM 0 HE3 LYS A 136 123.576 25.046 -14.239 1.00 1.00 H new ATOM 0 HZ1 LYS A 136 123.687 23.205 -15.474 1.00 1.00 H new ATOM 0 HZ2 LYS A 136 122.145 22.691 -14.984 1.00 1.00 H new ATOM 0 HZ3 LYS A 136 122.309 23.729 -16.318 1.00 1.00 H new ATOM 2149 N VAL A 137 120.497 25.074 -7.932 1.00 1.00 N ATOM 2150 CA VAL A 137 119.711 24.615 -6.797 1.00 1.00 C ATOM 2151 C VAL A 137 119.284 25.793 -5.924 1.00 1.00 C ATOM 2152 O VAL A 137 118.172 25.814 -5.398 1.00 1.00 O ATOM 2153 CB VAL A 137 120.492 23.553 -6.004 1.00 1.00 C ATOM 2154 CG1 VAL A 137 121.466 24.206 -5.059 1.00 1.00 C ATOM 2155 CG2 VAL A 137 119.520 22.681 -5.203 1.00 1.00 C ATOM 0 H VAL A 137 121.473 24.778 -7.929 1.00 1.00 H new ATOM 0 HA VAL A 137 118.798 24.144 -7.162 1.00 1.00 H new ATOM 0 HB VAL A 137 121.044 22.935 -6.712 1.00 1.00 H new ATOM 0 HG11 VAL A 137 122.008 23.438 -4.508 1.00 1.00 H new ATOM 0 HG12 VAL A 137 122.172 24.813 -5.626 1.00 1.00 H new ATOM 0 HG13 VAL A 137 120.923 24.841 -4.358 1.00 1.00 H new ATOM 0 HG21 VAL A 137 120.080 21.931 -4.644 1.00 1.00 H new ATOM 0 HG22 VAL A 137 118.958 23.306 -4.509 1.00 1.00 H new ATOM 0 HG23 VAL A 137 118.830 22.184 -5.885 1.00 1.00 H new ATOM 2165 N LYS A 138 120.180 26.762 -5.758 1.00 1.00 N ATOM 2166 CA LYS A 138 119.890 27.924 -4.937 1.00 1.00 C ATOM 2167 C LYS A 138 118.685 28.675 -5.474 1.00 1.00 C ATOM 2168 O LYS A 138 117.806 29.082 -4.712 1.00 1.00 O ATOM 2169 CB LYS A 138 121.100 28.849 -4.921 1.00 1.00 C ATOM 2170 CG LYS A 138 122.208 28.215 -4.093 1.00 1.00 C ATOM 2171 CD LYS A 138 123.437 29.109 -4.160 1.00 1.00 C ATOM 2172 CE LYS A 138 124.563 28.510 -3.327 1.00 1.00 C ATOM 2173 NZ LYS A 138 125.771 29.366 -3.468 1.00 1.00 N ATOM 0 H LYS A 138 121.108 26.762 -6.181 1.00 1.00 H new ATOM 0 HA LYS A 138 119.667 27.588 -3.924 1.00 1.00 H new ATOM 0 HB2 LYS A 138 121.448 29.029 -5.938 1.00 1.00 H new ATOM 0 HB3 LYS A 138 120.826 29.817 -4.502 1.00 1.00 H new ATOM 0 HG2 LYS A 138 121.885 28.093 -3.059 1.00 1.00 H new ATOM 0 HG3 LYS A 138 122.442 27.221 -4.473 1.00 1.00 H new ATOM 0 HD2 LYS A 138 123.759 29.221 -5.195 1.00 1.00 H new ATOM 0 HD3 LYS A 138 123.192 30.106 -3.793 1.00 1.00 H new ATOM 0 HE2 LYS A 138 124.265 28.447 -2.280 1.00 1.00 H new ATOM 0 HE3 LYS A 138 124.779 27.495 -3.659 1.00 1.00 H new ATOM 0 HZ1 LYS A 138 126.547 28.967 -2.903 1.00 1.00 H new ATOM 0 HZ2 LYS A 138 126.055 29.404 -4.468 1.00 1.00 H new ATOM 0 HZ3 LYS A 138 125.557 30.327 -3.132 1.00 1.00 H new ATOM 2187 N SER A 139 118.646 28.862 -6.778 1.00 1.00 N ATOM 2188 CA SER A 139 117.545 29.573 -7.399 1.00 1.00 C ATOM 2189 C SER A 139 116.265 28.766 -7.282 1.00 1.00 C ATOM 2190 O SER A 139 115.187 29.313 -7.055 1.00 1.00 O ATOM 2191 CB SER A 139 117.871 29.818 -8.863 1.00 1.00 C ATOM 2192 OG SER A 139 119.150 30.430 -8.947 1.00 1.00 O ATOM 0 H SER A 139 119.361 28.533 -7.427 1.00 1.00 H new ATOM 0 HA SER A 139 117.401 30.527 -6.891 1.00 1.00 H new ATOM 0 HB2 SER A 139 117.865 28.878 -9.414 1.00 1.00 H new ATOM 0 HB3 SER A 139 117.115 30.459 -9.317 1.00 1.00 H new ATOM 0 HG SER A 139 119.846 29.742 -8.890 1.00 1.00 H new ATOM 2198 N ALA A 140 116.390 27.461 -7.459 1.00 1.00 N ATOM 2199 CA ALA A 140 115.239 26.580 -7.407 1.00 1.00 C ATOM 2200 C ALA A 140 114.617 26.570 -6.020 1.00 1.00 C ATOM 2201 O ALA A 140 113.395 26.527 -5.879 1.00 1.00 O ATOM 2202 CB ALA A 140 115.674 25.167 -7.783 1.00 1.00 C ATOM 0 H ALA A 140 117.277 26.990 -7.640 1.00 1.00 H new ATOM 0 HA ALA A 140 114.491 26.944 -8.111 1.00 1.00 H new ATOM 0 HB1 ALA A 140 114.813 24.499 -7.746 1.00 1.00 H new ATOM 0 HB2 ALA A 140 116.088 25.170 -8.791 1.00 1.00 H new ATOM 0 HB3 ALA A 140 116.432 24.821 -7.081 1.00 1.00 H new ATOM 2208 N LEU A 141 115.457 26.572 -5.004 1.00 1.00 N ATOM 2209 CA LEU A 141 114.970 26.521 -3.635 1.00 1.00 C ATOM 2210 C LEU A 141 114.705 27.899 -3.037 1.00 1.00 C ATOM 2211 O LEU A 141 114.286 27.994 -1.886 1.00 1.00 O ATOM 2212 CB LEU A 141 115.973 25.771 -2.763 1.00 1.00 C ATOM 2213 CG LEU A 141 115.489 24.339 -2.535 1.00 1.00 C ATOM 2214 CD1 LEU A 141 115.265 23.650 -3.881 1.00 1.00 C ATOM 2215 CD2 LEU A 141 116.545 23.575 -1.734 1.00 1.00 C ATOM 0 H LEU A 141 116.472 26.608 -5.096 1.00 1.00 H new ATOM 0 HA LEU A 141 114.014 25.999 -3.661 1.00 1.00 H new ATOM 0 HB2 LEU A 141 116.952 25.762 -3.243 1.00 1.00 H new ATOM 0 HB3 LEU A 141 116.092 26.281 -1.807 1.00 1.00 H new ATOM 0 HG LEU A 141 114.550 24.354 -1.982 1.00 1.00 H new ATOM 0 HD11 LEU A 141 114.920 22.630 -3.714 1.00 1.00 H new ATOM 0 HD12 LEU A 141 114.514 24.198 -4.450 1.00 1.00 H new ATOM 0 HD13 LEU A 141 116.201 23.630 -4.440 1.00 1.00 H new ATOM 0 HD21 LEU A 141 116.206 22.552 -1.568 1.00 1.00 H new ATOM 0 HD22 LEU A 141 117.483 23.561 -2.289 1.00 1.00 H new ATOM 0 HD23 LEU A 141 116.699 24.067 -0.774 1.00 1.00 H new ATOM 2227 N LYS A 142 114.958 28.967 -3.794 1.00 1.00 N ATOM 2228 CA LYS A 142 114.741 30.330 -3.300 1.00 1.00 C ATOM 2229 C LYS A 142 115.614 30.621 -2.078 1.00 1.00 C ATOM 2230 O LYS A 142 115.132 31.145 -1.074 1.00 1.00 O ATOM 2231 CB LYS A 142 113.266 30.544 -2.925 1.00 1.00 C ATOM 2232 CG LYS A 142 112.334 30.231 -4.108 1.00 1.00 C ATOM 2233 CD LYS A 142 112.474 31.277 -5.226 1.00 1.00 C ATOM 2234 CE LYS A 142 111.456 30.958 -6.323 1.00 1.00 C ATOM 2235 NZ LYS A 142 111.575 31.954 -7.425 1.00 1.00 N ATOM 0 H LYS A 142 115.312 28.917 -4.749 1.00 1.00 H new ATOM 0 HA LYS A 142 115.015 31.013 -4.104 1.00 1.00 H new ATOM 0 HB2 LYS A 142 113.008 29.907 -2.079 1.00 1.00 H new ATOM 0 HB3 LYS A 142 113.116 31.575 -2.605 1.00 1.00 H new ATOM 0 HG2 LYS A 142 112.565 29.242 -4.503 1.00 1.00 H new ATOM 0 HG3 LYS A 142 111.301 30.203 -3.761 1.00 1.00 H new ATOM 0 HD2 LYS A 142 112.303 32.278 -4.831 1.00 1.00 H new ATOM 0 HD3 LYS A 142 113.485 31.263 -5.633 1.00 1.00 H new ATOM 0 HE2 LYS A 142 111.626 29.953 -6.709 1.00 1.00 H new ATOM 0 HE3 LYS A 142 110.447 30.975 -5.912 1.00 1.00 H new ATOM 0 HZ1 LYS A 142 110.882 31.734 -8.168 1.00 1.00 H new ATOM 0 HZ2 LYS A 142 111.392 32.908 -7.052 1.00 1.00 H new ATOM 0 HZ3 LYS A 142 112.534 31.917 -7.825 1.00 1.00 H new ATOM 2249 N LEU A 143 116.906 30.314 -2.180 1.00 1.00 N ATOM 2250 CA LEU A 143 117.845 30.584 -1.092 1.00 1.00 C ATOM 2251 C LEU A 143 118.599 31.879 -1.403 1.00 1.00 C ATOM 2252 O LEU A 143 119.221 32.003 -2.456 1.00 1.00 O ATOM 2253 CB LEU A 143 118.869 29.445 -0.976 1.00 1.00 C ATOM 2254 CG LEU A 143 118.396 28.266 -0.091 1.00 1.00 C ATOM 2255 CD1 LEU A 143 116.866 28.170 0.035 1.00 1.00 C ATOM 2256 CD2 LEU A 143 118.921 26.976 -0.722 1.00 1.00 C ATOM 0 H LEU A 143 117.326 29.880 -3.002 1.00 1.00 H new ATOM 0 HA LEU A 143 117.291 30.670 -0.157 1.00 1.00 H new ATOM 0 HB2 LEU A 143 119.095 29.070 -1.974 1.00 1.00 H new ATOM 0 HB3 LEU A 143 119.797 29.844 -0.567 1.00 1.00 H new ATOM 0 HG LEU A 143 118.782 28.427 0.916 1.00 1.00 H new ATOM 0 HD11 LEU A 143 116.606 27.322 0.669 1.00 1.00 H new ATOM 0 HD12 LEU A 143 116.479 29.087 0.479 1.00 1.00 H new ATOM 0 HD13 LEU A 143 116.427 28.033 -0.953 1.00 1.00 H new ATOM 0 HD21 LEU A 143 118.605 26.123 -0.122 1.00 1.00 H new ATOM 0 HD22 LEU A 143 118.523 26.877 -1.732 1.00 1.00 H new ATOM 0 HD23 LEU A 143 120.010 27.008 -0.763 1.00 1.00 H new