USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1029 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 514 ASN : amide:sc= -0.951 K(o=-0.91,f=0.033) USER MOD Set 1.2: A 518 CYS SG : rot 180:sc= 0.0443 USER MOD Set 2.1: A 474 THR OG1 : rot 10:sc= -0.61 USER MOD Set 2.2: A 510 TYR OH : rot 62:sc= 1.29 USER MOD Single : A 437 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 438 HIS : no HD1:sc= -0.0619 X(o=-0.062,f=0) USER MOD Single : A 439 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 440 HIS : no HD1:sc= -0.232 X(o=-0.23,f=-0.022) USER MOD Single : A 441 HIS : no HE2:sc= -1.22 K(o=-1.2,f=-2.3) USER MOD Single : A 442 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-3.2!) USER MOD Single : A 443 HIS : no HD1:sc= -0.349 X(o=-0.35,f=-0.12) USER MOD Single : A 444 SER OG : rot 180:sc= 0 USER MOD Single : A 445 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 447 THR OG1 : rot 66:sc= -0.077! USER MOD Single : A 450 GLN : amide:sc= -0.0752 X(o=-0.075,f=-0.2) USER MOD Single : A 453 SER OG : rot -135:sc= -1.06! USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 SER OG : rot 97:sc= 0.558 USER MOD Single : A 462 THR OG1 : rot 180:sc= -0.0244 USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 GLN : amide:sc= -0.93 X(o=-0.93,f=-0.6) USER MOD Single : A 479 SER OG : rot 42:sc= 0.23 USER MOD Single : A 483 TYR OH : rot 180:sc= 0 USER MOD Single : A 491 THR OG1 : rot 180:sc=0.000556 USER MOD Single : A 493 CYS SG : rot 128:sc= -3.83! USER MOD Single : A 494 HIS : no HD1:sc= -5.58! C(o=-5.6!,f=-7.9!) USER MOD Single : A 498 LYS NZ :NH3+ 164:sc= 0.667 (180deg=0.526) USER MOD Single : A 499 THR OG1 : rot 118:sc= 0.316 USER MOD Single : A 504 GLN : amide:sc= -0.626 K(o=-0.63,f=0) USER MOD Single : A 508 ASN : amide:sc= -1.67 K(o=-1.7,f=-0.82) USER MOD Single : A 511 THR OG1 : rot -91:sc= 0.0555 USER MOD Single : A 515 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 517 HIS : no HD1:sc= -6.3! C(o=-6.3!,f=-7.2!) USER MOD Single : A 520 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 525 SER OG : rot 180:sc= -0.0625 USER MOD Single : A 528 HIS : no HD1:sc= -0.542 X(o=-0.54,f=-0.34) USER MOD Single : A 530 GLN : amide:sc= -5.41! C(o=-5.4!,f=-6.5!) USER MOD Single : A 532 TYR OH : rot 165:sc= -1.23 USER MOD Single : A 534 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.32) USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 GLN : amide:sc= -0.751 K(o=-0.75,f=-1.9!) USER MOD Single : A 543 LYS NZ :NH3+ -152:sc= 1.12 (180deg=-0.336) USER MOD Single : A 545 ASN : amide:sc= -1.51! K(o=-1.5!,f=0) USER MOD Single : A 546 GLN : amide:sc= -0.198 K(o=-0.2,f=-2!) USER MOD Single : A 550 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 551 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 554 THR OG1 : rot 180:sc= 0 USER MOD Single : A 556 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 559 THR OG1 : rot 180:sc= -0.0263 USER MOD Single : A 560 LYS NZ :NH3+ 166:sc= -0.208 (180deg=-0.652) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 437 134.046 -12.383 15.753 1.00 0.00 N ATOM 2 CA MET A 437 132.661 -12.850 15.482 1.00 0.00 C ATOM 3 C MET A 437 131.649 -12.101 16.344 1.00 0.00 C ATOM 4 O MET A 437 130.587 -12.629 16.673 1.00 0.00 O ATOM 5 CB MET A 437 132.590 -14.351 15.765 1.00 0.00 C ATOM 6 CG MET A 437 131.454 -15.053 15.039 1.00 0.00 C ATOM 7 SD MET A 437 130.670 -16.329 16.045 1.00 0.00 S ATOM 8 CE MET A 437 131.546 -17.788 15.484 1.00 0.00 C ATOM 0 HA MET A 437 132.413 -12.652 14.439 1.00 0.00 H new ATOM 0 HB2 MET A 437 133.535 -14.812 15.476 1.00 0.00 H new ATOM 0 HB3 MET A 437 132.475 -14.505 16.838 1.00 0.00 H new ATOM 0 HG2 MET A 437 130.706 -14.317 14.745 1.00 0.00 H new ATOM 0 HG3 MET A 437 131.836 -15.502 14.122 1.00 0.00 H new ATOM 0 HE1 MET A 437 131.173 -18.663 16.015 1.00 0.00 H new ATOM 0 HE2 MET A 437 131.388 -17.918 14.413 1.00 0.00 H new ATOM 0 HE3 MET A 437 132.612 -17.671 15.681 1.00 0.00 H new ATOM 20 N HIS A 438 131.987 -10.867 16.703 1.00 0.00 N ATOM 21 CA HIS A 438 131.110 -10.041 17.525 1.00 0.00 C ATOM 22 C HIS A 438 130.172 -9.212 16.652 1.00 0.00 C ATOM 23 O HIS A 438 130.509 -8.102 16.241 1.00 0.00 O ATOM 24 CB HIS A 438 131.940 -9.121 18.423 1.00 0.00 C ATOM 25 CG HIS A 438 132.524 -9.814 19.615 1.00 0.00 C ATOM 26 ND1 HIS A 438 133.828 -9.631 20.029 1.00 0.00 N ATOM 27 CD2 HIS A 438 131.974 -10.694 20.486 1.00 0.00 C ATOM 28 CE1 HIS A 438 134.055 -10.370 21.101 1.00 0.00 C ATOM 29 NE2 HIS A 438 132.947 -11.023 21.398 1.00 0.00 N ATOM 0 H HIS A 438 132.863 -10.417 16.437 1.00 0.00 H new ATOM 0 HA HIS A 438 130.507 -10.700 18.150 1.00 0.00 H new ATOM 0 HB2 HIS A 438 132.748 -8.685 17.835 1.00 0.00 H new ATOM 0 HB3 HIS A 438 131.313 -8.297 18.763 1.00 0.00 H new ATOM 0 HD2 HIS A 438 130.961 -11.067 20.467 1.00 0.00 H new ATOM 0 HE1 HIS A 438 134.988 -10.429 21.642 1.00 0.00 H new ATOM 0 HE2 HIS A 438 132.832 -11.668 22.179 1.00 0.00 H new ATOM 38 N HIS A 439 128.994 -9.760 16.371 1.00 0.00 N ATOM 39 CA HIS A 439 128.009 -9.074 15.543 1.00 0.00 C ATOM 40 C HIS A 439 128.350 -9.222 14.064 1.00 0.00 C ATOM 41 O HIS A 439 129.398 -9.764 13.711 1.00 0.00 O ATOM 42 CB HIS A 439 127.938 -7.592 15.917 1.00 0.00 C ATOM 43 CG HIS A 439 126.560 -7.131 16.278 1.00 0.00 C ATOM 44 ND1 HIS A 439 126.024 -7.276 17.540 1.00 0.00 N ATOM 45 CD2 HIS A 439 125.605 -6.523 15.534 1.00 0.00 C ATOM 46 CE1 HIS A 439 124.800 -6.777 17.558 1.00 0.00 C ATOM 47 NE2 HIS A 439 124.522 -6.314 16.354 1.00 0.00 N ATOM 0 H HIS A 439 128.698 -10.677 16.705 1.00 0.00 H new ATOM 0 HA HIS A 439 127.036 -9.532 15.723 1.00 0.00 H new ATOM 0 HB2 HIS A 439 128.606 -7.405 16.758 1.00 0.00 H new ATOM 0 HB3 HIS A 439 128.304 -6.997 15.080 1.00 0.00 H new ATOM 0 HD2 HIS A 439 125.681 -6.253 14.491 1.00 0.00 H new ATOM 0 HE1 HIS A 439 124.140 -6.752 18.413 1.00 0.00 H new ATOM 0 HE2 HIS A 439 123.645 -5.872 16.077 1.00 0.00 H new ATOM 56 N HIS A 440 127.463 -8.736 13.203 1.00 0.00 N ATOM 57 CA HIS A 440 127.677 -8.815 11.763 1.00 0.00 C ATOM 58 C HIS A 440 127.374 -7.478 11.097 1.00 0.00 C ATOM 59 O HIS A 440 128.179 -6.963 10.322 1.00 0.00 O ATOM 60 CB HIS A 440 126.804 -9.915 11.156 1.00 0.00 C ATOM 61 CG HIS A 440 127.066 -11.270 11.735 1.00 0.00 C ATOM 62 ND1 HIS A 440 126.059 -12.145 12.089 1.00 0.00 N ATOM 63 CD2 HIS A 440 128.229 -11.901 12.022 1.00 0.00 C ATOM 64 CE1 HIS A 440 126.593 -13.254 12.569 1.00 0.00 C ATOM 65 NE2 HIS A 440 127.906 -13.132 12.539 1.00 0.00 N ATOM 0 H HIS A 440 126.591 -8.284 13.476 1.00 0.00 H new ATOM 0 HA HIS A 440 128.725 -9.058 11.587 1.00 0.00 H new ATOM 0 HB2 HIS A 440 125.755 -9.660 11.307 1.00 0.00 H new ATOM 0 HB3 HIS A 440 126.972 -9.949 10.080 1.00 0.00 H new ATOM 0 HD2 HIS A 440 129.224 -11.510 11.872 1.00 0.00 H new ATOM 0 HE1 HIS A 440 126.047 -14.115 12.926 1.00 0.00 H new ATOM 0 HE2 HIS A 440 128.574 -13.838 12.850 1.00 0.00 H new ATOM 74 N HIS A 441 126.208 -6.920 11.409 1.00 0.00 N ATOM 75 CA HIS A 441 125.797 -5.639 10.845 1.00 0.00 C ATOM 76 C HIS A 441 126.283 -5.491 9.408 1.00 0.00 C ATOM 77 O HIS A 441 126.778 -4.434 9.016 1.00 0.00 O ATOM 78 CB HIS A 441 126.335 -4.490 11.699 1.00 0.00 C ATOM 79 CG HIS A 441 127.805 -4.585 11.971 1.00 0.00 C ATOM 80 ND1 HIS A 441 128.765 -4.210 11.055 1.00 0.00 N ATOM 81 CD2 HIS A 441 128.480 -5.011 13.066 1.00 0.00 C ATOM 82 CE1 HIS A 441 129.966 -4.404 11.573 1.00 0.00 C ATOM 83 NE2 HIS A 441 129.819 -4.889 12.792 1.00 0.00 N ATOM 0 H HIS A 441 125.531 -7.335 12.049 1.00 0.00 H new ATOM 0 HA HIS A 441 124.708 -5.605 10.842 1.00 0.00 H new ATOM 0 HB2 HIS A 441 126.127 -3.546 11.196 1.00 0.00 H new ATOM 0 HB3 HIS A 441 125.799 -4.471 12.648 1.00 0.00 H new ATOM 0 HD1 HIS A 441 128.578 -3.840 10.123 1.00 0.00 H new ATOM 0 HD2 HIS A 441 128.045 -5.378 13.984 1.00 0.00 H new ATOM 0 HE1 HIS A 441 130.906 -4.200 11.083 1.00 0.00 H new ATOM 92 N HIS A 442 126.140 -6.556 8.625 1.00 0.00 N ATOM 93 CA HIS A 442 126.566 -6.536 7.231 1.00 0.00 C ATOM 94 C HIS A 442 126.288 -5.177 6.599 1.00 0.00 C ATOM 95 O HIS A 442 125.231 -4.585 6.819 1.00 0.00 O ATOM 96 CB HIS A 442 125.852 -7.635 6.441 1.00 0.00 C ATOM 97 CG HIS A 442 124.384 -7.397 6.280 1.00 0.00 C ATOM 98 ND1 HIS A 442 123.866 -6.416 5.462 1.00 0.00 N ATOM 99 CD2 HIS A 442 123.318 -8.022 6.836 1.00 0.00 C ATOM 100 CE1 HIS A 442 122.546 -6.446 5.521 1.00 0.00 C ATOM 101 NE2 HIS A 442 122.189 -7.412 6.347 1.00 0.00 N ATOM 0 H HIS A 442 125.734 -7.440 8.931 1.00 0.00 H new ATOM 0 HA HIS A 442 127.640 -6.718 7.202 1.00 0.00 H new ATOM 0 HB2 HIS A 442 126.309 -7.718 5.455 1.00 0.00 H new ATOM 0 HB3 HIS A 442 126.004 -8.590 6.944 1.00 0.00 H new ATOM 0 HD2 HIS A 442 123.350 -8.846 7.533 1.00 0.00 H new ATOM 0 HE1 HIS A 442 121.874 -5.792 4.985 1.00 0.00 H new ATOM 0 HE2 HIS A 442 121.230 -7.665 6.584 1.00 0.00 H new ATOM 110 N HIS A 443 127.243 -4.688 5.817 1.00 0.00 N ATOM 111 CA HIS A 443 127.103 -3.396 5.153 1.00 0.00 C ATOM 112 C HIS A 443 125.658 -3.153 4.727 1.00 0.00 C ATOM 113 O HIS A 443 125.209 -3.663 3.701 1.00 0.00 O ATOM 114 CB HIS A 443 128.025 -3.325 3.934 1.00 0.00 C ATOM 115 CG HIS A 443 129.112 -2.305 4.065 1.00 0.00 C ATOM 116 ND1 HIS A 443 130.344 -2.435 3.459 1.00 0.00 N ATOM 117 CD2 HIS A 443 129.149 -1.130 4.738 1.00 0.00 C ATOM 118 CE1 HIS A 443 131.091 -1.386 3.754 1.00 0.00 C ATOM 119 NE2 HIS A 443 130.388 -0.579 4.527 1.00 0.00 N ATOM 0 H HIS A 443 128.124 -5.166 5.627 1.00 0.00 H new ATOM 0 HA HIS A 443 127.387 -2.619 5.863 1.00 0.00 H new ATOM 0 HB2 HIS A 443 128.475 -4.304 3.771 1.00 0.00 H new ATOM 0 HB3 HIS A 443 127.429 -3.097 3.050 1.00 0.00 H new ATOM 0 HD2 HIS A 443 128.352 -0.706 5.330 1.00 0.00 H new ATOM 0 HE1 HIS A 443 132.104 -1.217 3.420 1.00 0.00 H new ATOM 0 HE2 HIS A 443 130.713 0.310 4.906 1.00 0.00 H new ATOM 128 N SER A 444 124.936 -2.371 5.524 1.00 0.00 N ATOM 129 CA SER A 444 123.541 -2.060 5.231 1.00 0.00 C ATOM 130 C SER A 444 123.344 -1.780 3.745 1.00 0.00 C ATOM 131 O SER A 444 122.648 -2.520 3.050 1.00 0.00 O ATOM 132 CB SER A 444 123.084 -0.855 6.056 1.00 0.00 C ATOM 133 OG SER A 444 122.332 -1.265 7.184 1.00 0.00 O ATOM 0 H SER A 444 125.294 -1.941 6.377 1.00 0.00 H new ATOM 0 HA SER A 444 122.937 -2.927 5.499 1.00 0.00 H new ATOM 0 HB2 SER A 444 123.953 -0.283 6.382 1.00 0.00 H new ATOM 0 HB3 SER A 444 122.482 -0.192 5.435 1.00 0.00 H new ATOM 0 HG SER A 444 122.053 -0.477 7.695 1.00 0.00 H new ATOM 139 N ASN A 445 123.961 -0.707 3.262 1.00 0.00 N ATOM 140 CA ASN A 445 123.854 -0.330 1.857 1.00 0.00 C ATOM 141 C ASN A 445 124.443 -1.414 0.959 1.00 0.00 C ATOM 142 O ASN A 445 125.649 -1.658 0.973 1.00 0.00 O ATOM 143 CB ASN A 445 124.568 1.000 1.608 1.00 0.00 C ATOM 144 CG ASN A 445 123.629 2.188 1.693 1.00 0.00 C ATOM 145 OD1 ASN A 445 123.124 2.519 2.765 1.00 0.00 O ATOM 146 ND2 ASN A 445 123.392 2.836 0.558 1.00 0.00 N ATOM 0 H ASN A 445 124.541 -0.083 3.823 1.00 0.00 H new ATOM 0 HA ASN A 445 122.797 -0.216 1.615 1.00 0.00 H new ATOM 0 HB2 ASN A 445 125.369 1.121 2.338 1.00 0.00 H new ATOM 0 HB3 ASN A 445 125.035 0.979 0.623 1.00 0.00 H new ATOM 0 HD21 ASN A 445 122.769 3.644 0.552 1.00 0.00 H new ATOM 0 HD22 ASN A 445 123.833 2.526 -0.308 1.00 0.00 H new ATOM 153 N ALA A 446 123.582 -2.062 0.179 1.00 0.00 N ATOM 154 CA ALA A 446 124.017 -3.120 -0.726 1.00 0.00 C ATOM 155 C ALA A 446 124.434 -2.547 -2.075 1.00 0.00 C ATOM 156 O ALA A 446 125.144 -3.195 -2.844 1.00 0.00 O ATOM 157 CB ALA A 446 122.923 -4.159 -0.913 1.00 0.00 C ATOM 0 H ALA A 446 122.580 -1.873 0.156 1.00 0.00 H new ATOM 0 HA ALA A 446 124.882 -3.606 -0.275 1.00 0.00 H new ATOM 0 HB1 ALA A 446 123.272 -4.937 -1.592 1.00 0.00 H new ATOM 0 HB2 ALA A 446 122.675 -4.603 0.051 1.00 0.00 H new ATOM 0 HB3 ALA A 446 122.037 -3.683 -1.332 1.00 0.00 H new ATOM 163 N THR A 447 123.986 -1.329 -2.358 1.00 0.00 N ATOM 164 CA THR A 447 124.311 -0.670 -3.617 1.00 0.00 C ATOM 165 C THR A 447 123.846 -1.503 -4.807 1.00 0.00 C ATOM 166 O THR A 447 123.392 -2.636 -4.645 1.00 0.00 O ATOM 167 CB THR A 447 125.826 -0.419 -3.746 1.00 0.00 C ATOM 168 OG1 THR A 447 126.571 -1.243 -2.842 1.00 0.00 O ATOM 169 CG2 THR A 447 126.162 1.036 -3.459 1.00 0.00 C ATOM 0 H THR A 447 123.397 -0.778 -1.733 1.00 0.00 H new ATOM 0 HA THR A 447 123.789 0.287 -3.617 1.00 0.00 H new ATOM 0 HB THR A 447 126.101 -0.667 -4.771 1.00 0.00 H new ATOM 0 HG1 THR A 447 126.473 -2.183 -3.100 1.00 0.00 H new ATOM 0 HG21 THR A 447 127.237 1.187 -3.557 1.00 0.00 H new ATOM 0 HG22 THR A 447 125.639 1.677 -4.169 1.00 0.00 H new ATOM 0 HG23 THR A 447 125.851 1.288 -2.445 1.00 0.00 H new ATOM 177 N GLY A 448 123.963 -0.934 -6.003 1.00 0.00 N ATOM 178 CA GLY A 448 123.553 -1.639 -7.203 1.00 0.00 C ATOM 179 C GLY A 448 122.063 -1.523 -7.467 1.00 0.00 C ATOM 180 O GLY A 448 121.311 -1.056 -6.612 1.00 0.00 O ATOM 0 H GLY A 448 124.334 0.003 -6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 448 124.102 -1.243 -8.058 1.00 0.00 H new ATOM 0 HA3 GLY A 448 123.821 -2.691 -7.111 1.00 0.00 H new ATOM 184 N PRO A 449 121.610 -1.946 -8.657 1.00 0.00 N ATOM 185 CA PRO A 449 120.195 -1.887 -9.036 1.00 0.00 C ATOM 186 C PRO A 449 119.303 -2.669 -8.076 1.00 0.00 C ATOM 187 O PRO A 449 119.706 -3.702 -7.541 1.00 0.00 O ATOM 188 CB PRO A 449 120.165 -2.528 -10.430 1.00 0.00 C ATOM 189 CG PRO A 449 121.562 -2.415 -10.936 1.00 0.00 C ATOM 190 CD PRO A 449 122.447 -2.512 -9.727 1.00 0.00 C ATOM 0 HA PRO A 449 119.815 -0.866 -9.014 1.00 0.00 H new ATOM 0 HB2 PRO A 449 119.847 -3.569 -10.379 1.00 0.00 H new ATOM 0 HB3 PRO A 449 119.464 -2.012 -11.087 1.00 0.00 H new ATOM 0 HG2 PRO A 449 121.785 -3.210 -11.648 1.00 0.00 H new ATOM 0 HG3 PRO A 449 121.714 -1.469 -11.456 1.00 0.00 H new ATOM 0 HD2 PRO A 449 122.729 -3.543 -9.515 1.00 0.00 H new ATOM 0 HD3 PRO A 449 123.371 -1.949 -9.857 1.00 0.00 H new ATOM 198 N GLN A 450 118.089 -2.169 -7.862 1.00 0.00 N ATOM 199 CA GLN A 450 117.140 -2.822 -6.968 1.00 0.00 C ATOM 200 C GLN A 450 116.072 -1.839 -6.493 1.00 0.00 C ATOM 201 O GLN A 450 116.276 -1.106 -5.525 1.00 0.00 O ATOM 202 CB GLN A 450 117.869 -3.417 -5.763 1.00 0.00 C ATOM 203 CG GLN A 450 116.954 -3.708 -4.585 1.00 0.00 C ATOM 204 CD GLN A 450 115.843 -4.678 -4.937 1.00 0.00 C ATOM 205 OE1 GLN A 450 114.694 -4.282 -5.124 1.00 0.00 O ATOM 206 NE2 GLN A 450 116.184 -5.959 -5.027 1.00 0.00 N ATOM 0 H GLN A 450 117.740 -1.314 -8.296 1.00 0.00 H new ATOM 0 HA GLN A 450 116.651 -3.623 -7.523 1.00 0.00 H new ATOM 0 HB2 GLN A 450 118.363 -4.340 -6.066 1.00 0.00 H new ATOM 0 HB3 GLN A 450 118.651 -2.727 -5.444 1.00 0.00 H new ATOM 0 HG2 GLN A 450 117.543 -4.118 -3.764 1.00 0.00 H new ATOM 0 HG3 GLN A 450 116.518 -2.775 -4.229 1.00 0.00 H new ATOM 0 HE21 GLN A 450 117.150 -6.242 -4.864 1.00 0.00 H new ATOM 0 HE22 GLN A 450 115.480 -6.659 -5.260 1.00 0.00 H new ATOM 215 N PHE A 451 114.933 -1.832 -7.179 1.00 0.00 N ATOM 216 CA PHE A 451 113.832 -0.940 -6.824 1.00 0.00 C ATOM 217 C PHE A 451 113.412 -1.141 -5.372 1.00 0.00 C ATOM 218 O PHE A 451 112.880 -2.190 -5.008 1.00 0.00 O ATOM 219 CB PHE A 451 112.638 -1.177 -7.752 1.00 0.00 C ATOM 220 CG PHE A 451 111.756 -2.316 -7.326 1.00 0.00 C ATOM 221 CD1 PHE A 451 111.976 -3.597 -7.807 1.00 0.00 C ATOM 222 CD2 PHE A 451 110.706 -2.105 -6.446 1.00 0.00 C ATOM 223 CE1 PHE A 451 111.164 -4.647 -7.419 1.00 0.00 C ATOM 224 CE2 PHE A 451 109.890 -3.151 -6.054 1.00 0.00 C ATOM 225 CZ PHE A 451 110.119 -4.424 -6.541 1.00 0.00 C ATOM 0 H PHE A 451 114.748 -2.432 -7.982 1.00 0.00 H new ATOM 0 HA PHE A 451 114.177 0.087 -6.942 1.00 0.00 H new ATOM 0 HB2 PHE A 451 112.041 -0.266 -7.801 1.00 0.00 H new ATOM 0 HB3 PHE A 451 113.006 -1.372 -8.759 1.00 0.00 H new ATOM 0 HD1 PHE A 451 112.791 -3.777 -8.493 1.00 0.00 H new ATOM 0 HD2 PHE A 451 110.523 -1.112 -6.062 1.00 0.00 H new ATOM 0 HE1 PHE A 451 111.346 -5.641 -7.801 1.00 0.00 H new ATOM 0 HE2 PHE A 451 109.075 -2.973 -5.368 1.00 0.00 H new ATOM 0 HZ PHE A 451 109.484 -5.243 -6.237 1.00 0.00 H new ATOM 235 N VAL A 452 113.655 -0.127 -4.545 1.00 0.00 N ATOM 236 CA VAL A 452 113.300 -0.191 -3.131 1.00 0.00 C ATOM 237 C VAL A 452 111.830 -0.551 -2.950 1.00 0.00 C ATOM 238 O VAL A 452 110.957 0.313 -3.025 1.00 0.00 O ATOM 239 CB VAL A 452 113.577 1.148 -2.423 1.00 0.00 C ATOM 240 CG1 VAL A 452 115.068 1.330 -2.184 1.00 0.00 C ATOM 241 CG2 VAL A 452 113.014 2.307 -3.232 1.00 0.00 C ATOM 0 H VAL A 452 114.096 0.748 -4.830 1.00 0.00 H new ATOM 0 HA VAL A 452 113.920 -0.967 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 452 113.077 1.134 -1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 452 115.243 2.282 -1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 452 115.438 0.518 -1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 452 115.593 1.321 -3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 452 113.219 3.245 -2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 452 113.482 2.325 -4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 452 111.937 2.183 -3.344 1.00 0.00 H new ATOM 251 N SER A 453 111.561 -1.834 -2.716 1.00 0.00 N ATOM 252 CA SER A 453 110.192 -2.310 -2.528 1.00 0.00 C ATOM 253 C SER A 453 109.596 -1.900 -1.174 1.00 0.00 C ATOM 254 O SER A 453 108.597 -2.477 -0.745 1.00 0.00 O ATOM 255 CB SER A 453 110.146 -3.833 -2.669 1.00 0.00 C ATOM 256 OG SER A 453 110.013 -4.458 -1.405 1.00 0.00 O ATOM 0 H SER A 453 112.272 -2.562 -2.652 1.00 0.00 H new ATOM 0 HA SER A 453 109.586 -1.839 -3.302 1.00 0.00 H new ATOM 0 HB2 SER A 453 109.310 -4.117 -3.308 1.00 0.00 H new ATOM 0 HB3 SER A 453 111.055 -4.184 -3.158 1.00 0.00 H new ATOM 0 HG SER A 453 110.635 -5.213 -1.346 1.00 0.00 H new ATOM 262 N GLY A 454 110.185 -0.903 -0.513 1.00 0.00 N ATOM 263 CA GLY A 454 109.669 -0.448 0.769 1.00 0.00 C ATOM 264 C GLY A 454 109.037 -1.557 1.592 1.00 0.00 C ATOM 265 O GLY A 454 108.100 -1.314 2.349 1.00 0.00 O ATOM 0 H GLY A 454 111.010 -0.403 -0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 454 110.481 0.001 1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 454 108.929 0.334 0.598 1.00 0.00 H new ATOM 269 N VAL A 455 109.538 -2.778 1.438 1.00 0.00 N ATOM 270 CA VAL A 455 109.002 -3.922 2.170 1.00 0.00 C ATOM 271 C VAL A 455 107.483 -3.833 2.278 1.00 0.00 C ATOM 272 O VAL A 455 106.950 -3.166 3.166 1.00 0.00 O ATOM 273 CB VAL A 455 109.605 -4.028 3.586 1.00 0.00 C ATOM 274 CG1 VAL A 455 109.879 -5.482 3.941 1.00 0.00 C ATOM 275 CG2 VAL A 455 110.877 -3.199 3.692 1.00 0.00 C ATOM 0 H VAL A 455 110.313 -3.002 0.814 1.00 0.00 H new ATOM 0 HA VAL A 455 109.276 -4.814 1.608 1.00 0.00 H new ATOM 0 HB VAL A 455 108.881 -3.632 4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 455 110.304 -5.538 4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 455 108.947 -6.046 3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 455 110.583 -5.905 3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 455 111.286 -3.288 4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 455 111.609 -3.561 2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 455 110.648 -2.154 3.484 1.00 0.00 H new ATOM 285 N ILE A 456 106.791 -4.505 1.364 1.00 0.00 N ATOM 286 CA ILE A 456 105.334 -4.499 1.348 1.00 0.00 C ATOM 287 C ILE A 456 104.762 -5.374 2.458 1.00 0.00 C ATOM 288 O ILE A 456 105.099 -6.553 2.572 1.00 0.00 O ATOM 289 CB ILE A 456 104.784 -4.976 -0.007 1.00 0.00 C ATOM 290 CG1 ILE A 456 105.171 -3.995 -1.114 1.00 0.00 C ATOM 291 CG2 ILE A 456 103.273 -5.130 0.065 1.00 0.00 C ATOM 292 CD1 ILE A 456 104.843 -2.554 -0.785 1.00 0.00 C ATOM 0 H ILE A 456 107.218 -5.062 0.623 1.00 0.00 H new ATOM 0 HA ILE A 456 105.024 -3.467 1.513 1.00 0.00 H new ATOM 0 HB ILE A 456 105.221 -5.947 -0.240 1.00 0.00 H new ATOM 0 HG12 ILE A 456 106.240 -4.081 -1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 456 104.657 -4.276 -2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 456 102.895 -5.468 -0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 456 103.018 -5.862 0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 456 102.821 -4.170 0.316 1.00 0.00 H new ATOM 0 HD11 ILE A 456 105.144 -1.914 -1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 456 103.770 -2.453 -0.620 1.00 0.00 H new ATOM 0 HD13 ILE A 456 105.378 -2.256 0.117 1.00 0.00 H new ATOM 304 N VAL A 457 103.877 -4.792 3.261 1.00 0.00 N ATOM 305 CA VAL A 457 103.230 -5.514 4.351 1.00 0.00 C ATOM 306 C VAL A 457 101.738 -5.677 4.076 1.00 0.00 C ATOM 307 O VAL A 457 100.985 -4.705 4.125 1.00 0.00 O ATOM 308 CB VAL A 457 103.426 -4.793 5.699 1.00 0.00 C ATOM 309 CG1 VAL A 457 102.471 -5.342 6.751 1.00 0.00 C ATOM 310 CG2 VAL A 457 104.868 -4.920 6.164 1.00 0.00 C ATOM 0 H VAL A 457 103.590 -3.817 3.176 1.00 0.00 H new ATOM 0 HA VAL A 457 103.697 -6.497 4.412 1.00 0.00 H new ATOM 0 HB VAL A 457 103.201 -3.736 5.558 1.00 0.00 H new ATOM 0 HG11 VAL A 457 102.628 -4.818 7.694 1.00 0.00 H new ATOM 0 HG12 VAL A 457 101.443 -5.195 6.421 1.00 0.00 H new ATOM 0 HG13 VAL A 457 102.658 -6.406 6.892 1.00 0.00 H new ATOM 0 HG21 VAL A 457 104.990 -4.405 7.117 1.00 0.00 H new ATOM 0 HG22 VAL A 457 105.120 -5.974 6.286 1.00 0.00 H new ATOM 0 HG23 VAL A 457 105.530 -4.472 5.423 1.00 0.00 H new ATOM 320 N LYS A 458 101.311 -6.902 3.783 1.00 0.00 N ATOM 321 CA LYS A 458 99.904 -7.164 3.499 1.00 0.00 C ATOM 322 C LYS A 458 99.124 -7.460 4.774 1.00 0.00 C ATOM 323 O LYS A 458 99.406 -8.431 5.477 1.00 0.00 O ATOM 324 CB LYS A 458 99.757 -8.333 2.523 1.00 0.00 C ATOM 325 CG LYS A 458 98.331 -8.850 2.410 1.00 0.00 C ATOM 326 CD LYS A 458 98.251 -10.080 1.519 1.00 0.00 C ATOM 327 CE LYS A 458 96.818 -10.564 1.365 1.00 0.00 C ATOM 328 NZ LYS A 458 96.704 -12.036 1.568 1.00 0.00 N ATOM 0 H LYS A 458 101.914 -7.723 3.736 1.00 0.00 H new ATOM 0 HA LYS A 458 99.492 -6.263 3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 458 100.101 -8.019 1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 458 100.407 -9.148 2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 458 97.952 -9.094 3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 458 97.690 -8.066 2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 458 98.665 -9.847 0.538 1.00 0.00 H new ATOM 0 HD3 LYS A 458 98.862 -10.877 1.942 1.00 0.00 H new ATOM 0 HE2 LYS A 458 96.181 -10.048 2.084 1.00 0.00 H new ATOM 0 HE3 LYS A 458 96.452 -10.305 0.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 95.712 -12.326 1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 97.292 -12.530 0.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 97.029 -12.281 2.525 1.00 0.00 H new ATOM 342 N ILE A 459 98.124 -6.630 5.049 1.00 0.00 N ATOM 343 CA ILE A 459 97.277 -6.814 6.219 1.00 0.00 C ATOM 344 C ILE A 459 95.860 -7.185 5.805 1.00 0.00 C ATOM 345 O ILE A 459 95.214 -6.460 5.049 1.00 0.00 O ATOM 346 CB ILE A 459 97.220 -5.556 7.105 1.00 0.00 C ATOM 347 CG1 ILE A 459 98.626 -5.005 7.345 1.00 0.00 C ATOM 348 CG2 ILE A 459 96.535 -5.879 8.429 1.00 0.00 C ATOM 349 CD1 ILE A 459 98.716 -4.085 8.544 1.00 0.00 C ATOM 0 H ILE A 459 97.881 -5.822 4.476 1.00 0.00 H new ATOM 0 HA ILE A 459 97.724 -7.623 6.797 1.00 0.00 H new ATOM 0 HB ILE A 459 96.639 -4.791 6.590 1.00 0.00 H new ATOM 0 HG12 ILE A 459 99.316 -5.838 7.483 1.00 0.00 H new ATOM 0 HG13 ILE A 459 98.953 -4.465 6.457 1.00 0.00 H new ATOM 0 HG21 ILE A 459 96.500 -4.983 9.049 1.00 0.00 H new ATOM 0 HG22 ILE A 459 95.520 -6.228 8.238 1.00 0.00 H new ATOM 0 HG23 ILE A 459 97.095 -6.657 8.948 1.00 0.00 H new ATOM 0 HD11 ILE A 459 99.741 -3.731 8.655 1.00 0.00 H new ATOM 0 HD12 ILE A 459 98.052 -3.233 8.400 1.00 0.00 H new ATOM 0 HD13 ILE A 459 98.420 -4.628 9.442 1.00 0.00 H new ATOM 361 N ILE A 460 95.375 -8.306 6.316 1.00 0.00 N ATOM 362 CA ILE A 460 94.025 -8.753 6.008 1.00 0.00 C ATOM 363 C ILE A 460 93.286 -9.137 7.282 1.00 0.00 C ATOM 364 O ILE A 460 93.845 -9.787 8.162 1.00 0.00 O ATOM 365 CB ILE A 460 94.020 -9.945 5.027 1.00 0.00 C ATOM 366 CG1 ILE A 460 92.621 -10.142 4.441 1.00 0.00 C ATOM 367 CG2 ILE A 460 94.496 -11.213 5.715 1.00 0.00 C ATOM 368 CD1 ILE A 460 91.719 -10.993 5.309 1.00 0.00 C ATOM 0 H ILE A 460 95.893 -8.921 6.943 1.00 0.00 H new ATOM 0 HA ILE A 460 93.514 -7.919 5.527 1.00 0.00 H new ATOM 0 HB ILE A 460 94.710 -9.724 4.213 1.00 0.00 H new ATOM 0 HG12 ILE A 460 92.156 -9.167 4.294 1.00 0.00 H new ATOM 0 HG13 ILE A 460 92.709 -10.605 3.458 1.00 0.00 H new ATOM 0 HG21 ILE A 460 94.484 -12.039 5.004 1.00 0.00 H new ATOM 0 HG22 ILE A 460 95.511 -11.067 6.085 1.00 0.00 H new ATOM 0 HG23 ILE A 460 93.835 -11.444 6.551 1.00 0.00 H new ATOM 0 HD11 ILE A 460 90.743 -11.091 4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 460 92.162 -11.981 5.436 1.00 0.00 H new ATOM 0 HD13 ILE A 460 91.601 -10.521 6.284 1.00 0.00 H new ATOM 380 N SER A 461 92.035 -8.713 7.385 1.00 0.00 N ATOM 381 CA SER A 461 91.232 -9.008 8.564 1.00 0.00 C ATOM 382 C SER A 461 89.919 -9.675 8.181 1.00 0.00 C ATOM 383 O SER A 461 89.758 -10.165 7.063 1.00 0.00 O ATOM 384 CB SER A 461 90.955 -7.728 9.350 1.00 0.00 C ATOM 385 OG SER A 461 90.297 -8.012 10.573 1.00 0.00 O ATOM 0 H SER A 461 91.555 -8.166 6.670 1.00 0.00 H new ATOM 0 HA SER A 461 91.797 -9.698 9.190 1.00 0.00 H new ATOM 0 HB2 SER A 461 91.893 -7.210 9.550 1.00 0.00 H new ATOM 0 HB3 SER A 461 90.341 -7.055 8.751 1.00 0.00 H new ATOM 0 HG SER A 461 90.956 -8.055 11.297 1.00 0.00 H new ATOM 391 N THR A 462 88.987 -9.694 9.123 1.00 0.00 N ATOM 392 CA THR A 462 87.683 -10.309 8.896 1.00 0.00 C ATOM 393 C THR A 462 86.568 -9.270 8.894 1.00 0.00 C ATOM 394 O THR A 462 85.451 -9.551 8.460 1.00 0.00 O ATOM 395 CB THR A 462 87.371 -11.370 9.967 1.00 0.00 C ATOM 396 OG1 THR A 462 87.659 -10.883 11.284 1.00 0.00 O ATOM 397 CG2 THR A 462 88.183 -12.634 9.731 1.00 0.00 C ATOM 0 H THR A 462 89.108 -9.291 10.052 1.00 0.00 H new ATOM 0 HA THR A 462 87.730 -10.786 7.917 1.00 0.00 H new ATOM 0 HB THR A 462 86.307 -11.594 9.890 1.00 0.00 H new ATOM 0 HG1 THR A 462 87.449 -11.578 11.943 1.00 0.00 H new ATOM 0 HG21 THR A 462 87.945 -13.368 10.501 1.00 0.00 H new ATOM 0 HG22 THR A 462 87.941 -13.044 8.751 1.00 0.00 H new ATOM 0 HG23 THR A 462 89.246 -12.397 9.772 1.00 0.00 H new ATOM 405 N GLU A 463 86.876 -8.073 9.379 1.00 0.00 N ATOM 406 CA GLU A 463 85.897 -6.994 9.435 1.00 0.00 C ATOM 407 C GLU A 463 86.287 -5.954 10.480 1.00 0.00 C ATOM 408 O GLU A 463 86.241 -4.753 10.219 1.00 0.00 O ATOM 409 CB GLU A 463 84.506 -7.549 9.753 1.00 0.00 C ATOM 410 CG GLU A 463 83.599 -7.662 8.538 1.00 0.00 C ATOM 411 CD GLU A 463 82.411 -8.571 8.781 1.00 0.00 C ATOM 412 OE1 GLU A 463 82.620 -9.791 8.949 1.00 0.00 O ATOM 413 OE2 GLU A 463 81.269 -8.064 8.808 1.00 0.00 O ATOM 0 H GLU A 463 87.797 -7.825 9.740 1.00 0.00 H new ATOM 0 HA GLU A 463 85.876 -6.513 8.457 1.00 0.00 H new ATOM 0 HB2 GLU A 463 84.613 -8.534 10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 463 84.029 -6.906 10.493 1.00 0.00 H new ATOM 0 HG2 GLU A 463 83.242 -6.670 8.262 1.00 0.00 H new ATOM 0 HG3 GLU A 463 84.175 -8.040 7.693 1.00 0.00 H new ATOM 420 N PRO A 464 86.678 -6.404 11.684 1.00 0.00 N ATOM 421 CA PRO A 464 87.075 -5.509 12.770 1.00 0.00 C ATOM 422 C PRO A 464 87.916 -4.333 12.282 1.00 0.00 C ATOM 423 O PRO A 464 87.947 -3.279 12.917 1.00 0.00 O ATOM 424 CB PRO A 464 87.891 -6.422 13.677 1.00 0.00 C ATOM 425 CG PRO A 464 87.259 -7.762 13.511 1.00 0.00 C ATOM 426 CD PRO A 464 86.765 -7.824 12.086 1.00 0.00 C ATOM 0 HA PRO A 464 86.219 -5.046 13.261 1.00 0.00 H new ATOM 0 HB2 PRO A 464 88.941 -6.438 13.385 1.00 0.00 H new ATOM 0 HB3 PRO A 464 87.853 -6.090 14.714 1.00 0.00 H new ATOM 0 HG2 PRO A 464 87.977 -8.558 13.708 1.00 0.00 H new ATOM 0 HG3 PRO A 464 86.436 -7.894 14.214 1.00 0.00 H new ATOM 0 HD2 PRO A 464 87.452 -8.380 11.448 1.00 0.00 H new ATOM 0 HD3 PRO A 464 85.796 -8.319 12.019 1.00 0.00 H new ATOM 434 N LEU A 465 88.593 -4.514 11.149 1.00 0.00 N ATOM 435 CA LEU A 465 89.425 -3.458 10.584 1.00 0.00 C ATOM 436 C LEU A 465 88.780 -2.094 10.803 1.00 0.00 C ATOM 437 O LEU A 465 87.853 -1.711 10.090 1.00 0.00 O ATOM 438 CB LEU A 465 89.652 -3.698 9.091 1.00 0.00 C ATOM 439 CG LEU A 465 91.115 -3.664 8.645 1.00 0.00 C ATOM 440 CD1 LEU A 465 91.407 -4.816 7.697 1.00 0.00 C ATOM 441 CD2 LEU A 465 91.443 -2.332 7.986 1.00 0.00 C ATOM 0 H LEU A 465 88.581 -5.379 10.608 1.00 0.00 H new ATOM 0 HA LEU A 465 90.389 -3.473 11.092 1.00 0.00 H new ATOM 0 HB2 LEU A 465 89.230 -4.667 8.826 1.00 0.00 H new ATOM 0 HB3 LEU A 465 89.099 -2.945 8.529 1.00 0.00 H new ATOM 0 HG LEU A 465 91.747 -3.774 9.526 1.00 0.00 H new ATOM 0 HD11 LEU A 465 92.452 -4.778 7.389 1.00 0.00 H new ATOM 0 HD12 LEU A 465 91.212 -5.762 8.203 1.00 0.00 H new ATOM 0 HD13 LEU A 465 90.767 -4.736 6.819 1.00 0.00 H new ATOM 0 HD21 LEU A 465 92.488 -2.327 7.676 1.00 0.00 H new ATOM 0 HD22 LEU A 465 90.805 -2.191 7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 465 91.272 -1.523 8.696 1.00 0.00 H new ATOM 453 N PRO A 466 89.264 -1.349 11.806 1.00 0.00 N ATOM 454 CA PRO A 466 88.734 -0.022 12.140 1.00 0.00 C ATOM 455 C PRO A 466 88.883 0.978 10.996 1.00 0.00 C ATOM 456 O PRO A 466 87.963 1.745 10.710 1.00 0.00 O ATOM 457 CB PRO A 466 89.572 0.413 13.347 1.00 0.00 C ATOM 458 CG PRO A 466 90.789 -0.447 13.313 1.00 0.00 C ATOM 459 CD PRO A 466 90.361 -1.748 12.700 1.00 0.00 C ATOM 0 HA PRO A 466 87.663 -0.059 12.342 1.00 0.00 H new ATOM 0 HB2 PRO A 466 89.835 1.469 13.283 1.00 0.00 H new ATOM 0 HB3 PRO A 466 89.021 0.278 14.278 1.00 0.00 H new ATOM 0 HG2 PRO A 466 91.580 0.019 12.725 1.00 0.00 H new ATOM 0 HG3 PRO A 466 91.186 -0.601 14.316 1.00 0.00 H new ATOM 0 HD2 PRO A 466 91.175 -2.223 12.152 1.00 0.00 H new ATOM 0 HD3 PRO A 466 90.027 -2.459 13.455 1.00 0.00 H new ATOM 467 N GLY A 467 90.042 0.970 10.347 1.00 0.00 N ATOM 468 CA GLY A 467 90.280 1.886 9.248 1.00 0.00 C ATOM 469 C GLY A 467 91.748 2.208 9.070 1.00 0.00 C ATOM 470 O GLY A 467 92.598 1.679 9.789 1.00 0.00 O ATOM 0 H GLY A 467 90.820 0.346 10.562 1.00 0.00 H new ATOM 0 HA2 GLY A 467 89.892 1.452 8.327 1.00 0.00 H new ATOM 0 HA3 GLY A 467 89.727 2.809 9.422 1.00 0.00 H new ATOM 474 N ARG A 468 92.050 3.088 8.121 1.00 0.00 N ATOM 475 CA ARG A 468 93.425 3.490 7.863 1.00 0.00 C ATOM 476 C ARG A 468 94.028 4.172 9.087 1.00 0.00 C ATOM 477 O ARG A 468 95.192 3.957 9.422 1.00 0.00 O ATOM 478 CB ARG A 468 93.487 4.430 6.658 1.00 0.00 C ATOM 479 CG ARG A 468 92.424 5.517 6.679 1.00 0.00 C ATOM 480 CD ARG A 468 91.397 5.308 5.579 1.00 0.00 C ATOM 481 NE ARG A 468 91.704 6.101 4.393 1.00 0.00 N ATOM 482 CZ ARG A 468 91.354 5.751 3.160 1.00 0.00 C ATOM 483 NH1 ARG A 468 90.675 4.630 2.953 1.00 0.00 N ATOM 484 NH2 ARG A 468 91.681 6.522 2.133 1.00 0.00 N ATOM 0 H ARG A 468 91.360 3.536 7.518 1.00 0.00 H new ATOM 0 HA ARG A 468 94.006 2.594 7.644 1.00 0.00 H new ATOM 0 HB2 ARG A 468 94.471 4.897 6.622 1.00 0.00 H new ATOM 0 HB3 ARG A 468 93.378 3.845 5.745 1.00 0.00 H new ATOM 0 HG2 ARG A 468 91.926 5.522 7.648 1.00 0.00 H new ATOM 0 HG3 ARG A 468 92.896 6.492 6.558 1.00 0.00 H new ATOM 0 HD2 ARG A 468 91.361 4.252 5.311 1.00 0.00 H new ATOM 0 HD3 ARG A 468 90.408 5.576 5.950 1.00 0.00 H new ATOM 0 HE ARG A 468 92.217 6.974 4.518 1.00 0.00 H new ATOM 0 HH11 ARG A 468 90.421 4.035 3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 468 90.407 4.363 2.006 1.00 0.00 H new ATOM 0 HH21 ARG A 468 92.202 7.385 2.289 1.00 0.00 H new ATOM 0 HH22 ARG A 468 91.412 6.252 1.187 1.00 0.00 H new ATOM 498 N LYS A 469 93.225 5.004 9.743 1.00 0.00 N ATOM 499 CA LYS A 469 93.670 5.731 10.926 1.00 0.00 C ATOM 500 C LYS A 469 94.050 4.778 12.055 1.00 0.00 C ATOM 501 O LYS A 469 95.073 4.959 12.714 1.00 0.00 O ATOM 502 CB LYS A 469 92.574 6.687 11.401 1.00 0.00 C ATOM 503 CG LYS A 469 91.219 6.020 11.580 1.00 0.00 C ATOM 504 CD LYS A 469 90.098 6.857 10.983 1.00 0.00 C ATOM 505 CE LYS A 469 89.177 6.015 10.114 1.00 0.00 C ATOM 506 NZ LYS A 469 88.307 6.856 9.247 1.00 0.00 N ATOM 0 H LYS A 469 92.259 5.192 9.474 1.00 0.00 H new ATOM 0 HA LYS A 469 94.556 6.303 10.652 1.00 0.00 H new ATOM 0 HB2 LYS A 469 92.878 7.133 12.348 1.00 0.00 H new ATOM 0 HB3 LYS A 469 92.477 7.501 10.682 1.00 0.00 H new ATOM 0 HG2 LYS A 469 91.231 5.038 11.107 1.00 0.00 H new ATOM 0 HG3 LYS A 469 91.029 5.861 12.641 1.00 0.00 H new ATOM 0 HD2 LYS A 469 89.522 7.320 11.784 1.00 0.00 H new ATOM 0 HD3 LYS A 469 90.523 7.665 10.388 1.00 0.00 H new ATOM 0 HE2 LYS A 469 89.774 5.349 9.491 1.00 0.00 H new ATOM 0 HE3 LYS A 469 88.555 5.385 10.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 469 87.695 6.243 8.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 469 87.718 7.474 9.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 469 88.899 7.439 8.622 1.00 0.00 H new ATOM 520 N GLN A 470 93.218 3.766 12.280 1.00 0.00 N ATOM 521 CA GLN A 470 93.471 2.795 13.338 1.00 0.00 C ATOM 522 C GLN A 470 94.550 1.796 12.927 1.00 0.00 C ATOM 523 O GLN A 470 95.442 1.482 13.713 1.00 0.00 O ATOM 524 CB GLN A 470 92.183 2.059 13.703 1.00 0.00 C ATOM 525 CG GLN A 470 91.405 2.719 14.830 1.00 0.00 C ATOM 526 CD GLN A 470 92.270 3.012 16.041 1.00 0.00 C ATOM 527 OE1 GLN A 470 92.489 2.145 16.886 1.00 0.00 O ATOM 528 NE2 GLN A 470 92.764 4.242 16.130 1.00 0.00 N ATOM 0 H GLN A 470 92.366 3.597 11.746 1.00 0.00 H new ATOM 0 HA GLN A 470 93.829 3.339 14.212 1.00 0.00 H new ATOM 0 HB2 GLN A 470 91.546 1.998 12.820 1.00 0.00 H new ATOM 0 HB3 GLN A 470 92.427 1.037 13.991 1.00 0.00 H new ATOM 0 HG2 GLN A 470 90.966 3.649 14.468 1.00 0.00 H new ATOM 0 HG3 GLN A 470 90.580 2.071 15.125 1.00 0.00 H new ATOM 0 HE21 GLN A 470 92.556 4.929 15.405 1.00 0.00 H new ATOM 0 HE22 GLN A 470 93.351 4.500 16.923 1.00 0.00 H new ATOM 537 N VAL A 471 94.469 1.306 11.693 1.00 0.00 N ATOM 538 CA VAL A 471 95.452 0.351 11.194 1.00 0.00 C ATOM 539 C VAL A 471 96.830 0.998 11.117 1.00 0.00 C ATOM 540 O VAL A 471 97.832 0.410 11.527 1.00 0.00 O ATOM 541 CB VAL A 471 95.066 -0.188 9.804 1.00 0.00 C ATOM 542 CG1 VAL A 471 96.190 -1.034 9.227 1.00 0.00 C ATOM 543 CG2 VAL A 471 93.774 -0.987 9.885 1.00 0.00 C ATOM 0 H VAL A 471 93.738 1.552 11.025 1.00 0.00 H new ATOM 0 HA VAL A 471 95.476 -0.484 11.894 1.00 0.00 H new ATOM 0 HB VAL A 471 94.903 0.659 9.137 1.00 0.00 H new ATOM 0 HG11 VAL A 471 95.898 -1.406 8.245 1.00 0.00 H new ATOM 0 HG12 VAL A 471 97.090 -0.427 9.133 1.00 0.00 H new ATOM 0 HG13 VAL A 471 96.388 -1.877 9.890 1.00 0.00 H new ATOM 0 HG21 VAL A 471 93.515 -1.361 8.895 1.00 0.00 H new ATOM 0 HG22 VAL A 471 93.908 -1.827 10.567 1.00 0.00 H new ATOM 0 HG23 VAL A 471 92.972 -0.346 10.252 1.00 0.00 H new ATOM 553 N ARG A 472 96.866 2.224 10.606 1.00 0.00 N ATOM 554 CA ARG A 472 98.112 2.967 10.494 1.00 0.00 C ATOM 555 C ARG A 472 98.687 3.224 11.880 1.00 0.00 C ATOM 556 O ARG A 472 99.889 3.085 12.105 1.00 0.00 O ATOM 557 CB ARG A 472 97.884 4.292 9.762 1.00 0.00 C ATOM 558 CG ARG A 472 97.241 5.366 10.625 1.00 0.00 C ATOM 559 CD ARG A 472 97.092 6.677 9.868 1.00 0.00 C ATOM 560 NE ARG A 472 98.384 7.296 9.578 1.00 0.00 N ATOM 561 CZ ARG A 472 98.518 8.477 8.984 1.00 0.00 C ATOM 562 NH1 ARG A 472 97.445 9.164 8.616 1.00 0.00 N ATOM 563 NH2 ARG A 472 99.727 8.974 8.758 1.00 0.00 N ATOM 0 H ARG A 472 96.045 2.723 10.263 1.00 0.00 H new ATOM 0 HA ARG A 472 98.822 2.374 9.918 1.00 0.00 H new ATOM 0 HB2 ARG A 472 98.840 4.661 9.391 1.00 0.00 H new ATOM 0 HB3 ARG A 472 97.253 4.112 8.892 1.00 0.00 H new ATOM 0 HG2 ARG A 472 96.261 5.026 10.961 1.00 0.00 H new ATOM 0 HG3 ARG A 472 97.846 5.527 11.517 1.00 0.00 H new ATOM 0 HD2 ARG A 472 96.559 6.497 8.934 1.00 0.00 H new ATOM 0 HD3 ARG A 472 96.484 7.366 10.454 1.00 0.00 H new ATOM 0 HE ARG A 472 99.230 6.793 9.847 1.00 0.00 H new ATOM 0 HH11 ARG A 472 96.513 8.786 8.789 1.00 0.00 H new ATOM 0 HH12 ARG A 472 97.551 10.070 8.160 1.00 0.00 H new ATOM 0 HH21 ARG A 472 100.555 8.449 9.040 1.00 0.00 H new ATOM 0 HH22 ARG A 472 99.829 9.881 8.302 1.00 0.00 H new ATOM 577 N ASP A 473 97.809 3.591 12.810 1.00 0.00 N ATOM 578 CA ASP A 473 98.212 3.861 14.182 1.00 0.00 C ATOM 579 C ASP A 473 98.826 2.617 14.809 1.00 0.00 C ATOM 580 O ASP A 473 99.846 2.693 15.491 1.00 0.00 O ATOM 581 CB ASP A 473 97.011 4.324 15.007 1.00 0.00 C ATOM 582 CG ASP A 473 96.889 5.835 15.047 1.00 0.00 C ATOM 583 OD1 ASP A 473 97.936 6.516 15.017 1.00 0.00 O ATOM 584 OD2 ASP A 473 95.747 6.336 15.108 1.00 0.00 O ATOM 0 H ASP A 473 96.811 3.708 12.635 1.00 0.00 H new ATOM 0 HA ASP A 473 98.959 4.654 14.172 1.00 0.00 H new ATOM 0 HB2 ASP A 473 96.099 3.899 14.587 1.00 0.00 H new ATOM 0 HB3 ASP A 473 97.102 3.942 16.024 1.00 0.00 H new ATOM 589 N THR A 474 98.204 1.468 14.562 1.00 0.00 N ATOM 590 CA THR A 474 98.703 0.207 15.093 1.00 0.00 C ATOM 591 C THR A 474 100.100 -0.071 14.556 1.00 0.00 C ATOM 592 O THR A 474 101.097 0.114 15.257 1.00 0.00 O ATOM 593 CB THR A 474 97.776 -0.969 14.726 1.00 0.00 C ATOM 594 OG1 THR A 474 97.264 -0.836 13.396 1.00 0.00 O ATOM 595 CG2 THR A 474 96.600 -1.055 15.684 1.00 0.00 C ATOM 0 H THR A 474 97.357 1.386 14.000 1.00 0.00 H new ATOM 0 HA THR A 474 98.733 0.297 16.179 1.00 0.00 H new ATOM 0 HB THR A 474 98.378 -1.875 14.795 1.00 0.00 H new ATOM 0 HG1 THR A 474 97.731 -0.106 12.937 1.00 0.00 H new ATOM 0 HG21 THR A 474 95.962 -1.893 15.403 1.00 0.00 H new ATOM 0 HG22 THR A 474 96.968 -1.204 16.699 1.00 0.00 H new ATOM 0 HG23 THR A 474 96.025 -0.130 15.638 1.00 0.00 H new ATOM 603 N LEU A 475 100.168 -0.525 13.310 1.00 0.00 N ATOM 604 CA LEU A 475 101.448 -0.829 12.687 1.00 0.00 C ATOM 605 C LEU A 475 102.474 0.255 13.006 1.00 0.00 C ATOM 606 O LEU A 475 103.635 -0.041 13.286 1.00 0.00 O ATOM 607 CB LEU A 475 101.280 -0.959 11.171 1.00 0.00 C ATOM 608 CG LEU A 475 100.523 0.190 10.503 1.00 0.00 C ATOM 609 CD1 LEU A 475 101.496 1.207 9.931 1.00 0.00 C ATOM 610 CD2 LEU A 475 99.602 -0.340 9.415 1.00 0.00 C ATOM 0 H LEU A 475 99.356 -0.690 12.715 1.00 0.00 H new ATOM 0 HA LEU A 475 101.808 -1.776 13.088 1.00 0.00 H new ATOM 0 HB2 LEU A 475 102.268 -1.036 10.717 1.00 0.00 H new ATOM 0 HB3 LEU A 475 100.757 -1.891 10.957 1.00 0.00 H new ATOM 0 HG LEU A 475 99.913 0.686 11.258 1.00 0.00 H new ATOM 0 HD11 LEU A 475 100.940 2.017 9.460 1.00 0.00 H new ATOM 0 HD12 LEU A 475 102.115 1.610 10.733 1.00 0.00 H new ATOM 0 HD13 LEU A 475 102.133 0.724 9.189 1.00 0.00 H new ATOM 0 HD21 LEU A 475 99.071 0.491 8.951 1.00 0.00 H new ATOM 0 HD22 LEU A 475 100.192 -0.861 8.661 1.00 0.00 H new ATOM 0 HD23 LEU A 475 98.882 -1.031 9.853 1.00 0.00 H new ATOM 622 N ALA A 476 102.037 1.514 12.971 1.00 0.00 N ATOM 623 CA ALA A 476 102.925 2.632 13.266 1.00 0.00 C ATOM 624 C ALA A 476 103.307 2.647 14.742 1.00 0.00 C ATOM 625 O ALA A 476 104.361 3.162 15.117 1.00 0.00 O ATOM 626 CB ALA A 476 102.283 3.955 12.875 1.00 0.00 C ATOM 0 H ALA A 476 101.080 1.781 12.743 1.00 0.00 H new ATOM 0 HA ALA A 476 103.832 2.501 12.675 1.00 0.00 H new ATOM 0 HB1 ALA A 476 102.966 4.773 13.105 1.00 0.00 H new ATOM 0 HB2 ALA A 476 102.067 3.953 11.807 1.00 0.00 H new ATOM 0 HB3 ALA A 476 101.356 4.088 13.433 1.00 0.00 H new ATOM 632 N ALA A 477 102.439 2.080 15.573 1.00 0.00 N ATOM 633 CA ALA A 477 102.678 2.027 17.009 1.00 0.00 C ATOM 634 C ALA A 477 103.790 1.037 17.325 1.00 0.00 C ATOM 635 O ALA A 477 104.523 1.197 18.302 1.00 0.00 O ATOM 636 CB ALA A 477 101.410 1.652 17.760 1.00 0.00 C ATOM 0 H ALA A 477 101.563 1.650 15.275 1.00 0.00 H new ATOM 0 HA ALA A 477 102.986 3.020 17.337 1.00 0.00 H new ATOM 0 HB1 ALA A 477 101.617 1.620 18.830 1.00 0.00 H new ATOM 0 HB2 ALA A 477 100.637 2.394 17.562 1.00 0.00 H new ATOM 0 HB3 ALA A 477 101.066 0.673 17.427 1.00 0.00 H new ATOM 642 N ILE A 478 103.921 0.024 16.477 1.00 0.00 N ATOM 643 CA ILE A 478 104.959 -0.984 16.649 1.00 0.00 C ATOM 644 C ILE A 478 106.285 -0.467 16.104 1.00 0.00 C ATOM 645 O ILE A 478 107.357 -0.814 16.599 1.00 0.00 O ATOM 646 CB ILE A 478 104.595 -2.304 15.941 1.00 0.00 C ATOM 647 CG1 ILE A 478 103.372 -2.940 16.602 1.00 0.00 C ATOM 648 CG2 ILE A 478 105.775 -3.265 15.965 1.00 0.00 C ATOM 649 CD1 ILE A 478 102.189 -3.092 15.671 1.00 0.00 C ATOM 0 H ILE A 478 103.322 -0.121 15.664 1.00 0.00 H new ATOM 0 HA ILE A 478 105.049 -1.184 17.717 1.00 0.00 H new ATOM 0 HB ILE A 478 104.353 -2.085 14.901 1.00 0.00 H new ATOM 0 HG12 ILE A 478 103.648 -3.921 16.988 1.00 0.00 H new ATOM 0 HG13 ILE A 478 103.075 -2.333 17.457 1.00 0.00 H new ATOM 0 HG21 ILE A 478 105.500 -4.191 15.461 1.00 0.00 H new ATOM 0 HG22 ILE A 478 106.624 -2.812 15.453 1.00 0.00 H new ATOM 0 HG23 ILE A 478 106.047 -3.481 16.998 1.00 0.00 H new ATOM 0 HD11 ILE A 478 101.359 -3.550 16.209 1.00 0.00 H new ATOM 0 HD12 ILE A 478 101.886 -2.111 15.304 1.00 0.00 H new ATOM 0 HD13 ILE A 478 102.468 -3.724 14.828 1.00 0.00 H new ATOM 661 N SER A 479 106.194 0.373 15.078 1.00 0.00 N ATOM 662 CA SER A 479 107.371 0.960 14.450 1.00 0.00 C ATOM 663 C SER A 479 106.977 2.175 13.615 1.00 0.00 C ATOM 664 O SER A 479 105.795 2.413 13.375 1.00 0.00 O ATOM 665 CB SER A 479 108.076 -0.075 13.570 1.00 0.00 C ATOM 666 OG SER A 479 109.189 -0.641 14.240 1.00 0.00 O ATOM 0 H SER A 479 105.309 0.664 14.662 1.00 0.00 H new ATOM 0 HA SER A 479 108.057 1.281 15.234 1.00 0.00 H new ATOM 0 HB2 SER A 479 107.374 -0.862 13.296 1.00 0.00 H new ATOM 0 HB3 SER A 479 108.406 0.395 12.644 1.00 0.00 H new ATOM 0 HG SER A 479 108.950 -0.826 15.172 1.00 0.00 H new ATOM 672 N GLU A 480 107.970 2.942 13.178 1.00 0.00 N ATOM 673 CA GLU A 480 107.712 4.131 12.373 1.00 0.00 C ATOM 674 C GLU A 480 107.560 3.771 10.899 1.00 0.00 C ATOM 675 O GLU A 480 108.416 4.101 10.078 1.00 0.00 O ATOM 676 CB GLU A 480 108.841 5.150 12.549 1.00 0.00 C ATOM 677 CG GLU A 480 108.408 6.585 12.292 1.00 0.00 C ATOM 678 CD GLU A 480 109.557 7.475 11.858 1.00 0.00 C ATOM 679 OE1 GLU A 480 109.926 8.386 12.628 1.00 0.00 O ATOM 680 OE2 GLU A 480 110.087 7.261 10.748 1.00 0.00 O ATOM 0 H GLU A 480 108.956 2.763 13.366 1.00 0.00 H new ATOM 0 HA GLU A 480 106.777 4.573 12.717 1.00 0.00 H new ATOM 0 HB2 GLU A 480 109.234 5.073 13.563 1.00 0.00 H new ATOM 0 HB3 GLU A 480 109.656 4.898 11.871 1.00 0.00 H new ATOM 0 HG2 GLU A 480 107.636 6.595 11.523 1.00 0.00 H new ATOM 0 HG3 GLU A 480 107.960 6.993 13.198 1.00 0.00 H new ATOM 687 N VAL A 481 106.465 3.092 10.568 1.00 0.00 N ATOM 688 CA VAL A 481 106.204 2.689 9.191 1.00 0.00 C ATOM 689 C VAL A 481 106.329 3.870 8.237 1.00 0.00 C ATOM 690 O VAL A 481 106.039 5.010 8.602 1.00 0.00 O ATOM 691 CB VAL A 481 104.801 2.072 9.033 1.00 0.00 C ATOM 692 CG1 VAL A 481 104.693 0.774 9.816 1.00 0.00 C ATOM 693 CG2 VAL A 481 103.730 3.060 9.471 1.00 0.00 C ATOM 0 H VAL A 481 105.746 2.810 11.234 1.00 0.00 H new ATOM 0 HA VAL A 481 106.953 1.938 8.942 1.00 0.00 H new ATOM 0 HB VAL A 481 104.643 1.844 7.979 1.00 0.00 H new ATOM 0 HG11 VAL A 481 103.694 0.355 9.691 1.00 0.00 H new ATOM 0 HG12 VAL A 481 105.433 0.064 9.447 1.00 0.00 H new ATOM 0 HG13 VAL A 481 104.874 0.970 10.873 1.00 0.00 H new ATOM 0 HG21 VAL A 481 102.746 2.606 9.352 1.00 0.00 H new ATOM 0 HG22 VAL A 481 103.884 3.324 10.517 1.00 0.00 H new ATOM 0 HG23 VAL A 481 103.792 3.959 8.858 1.00 0.00 H new ATOM 703 N LEU A 482 106.759 3.590 7.012 1.00 0.00 N ATOM 704 CA LEU A 482 106.920 4.629 6.004 1.00 0.00 C ATOM 705 C LEU A 482 105.563 5.152 5.546 1.00 0.00 C ATOM 706 O LEU A 482 105.148 6.246 5.927 1.00 0.00 O ATOM 707 CB LEU A 482 107.702 4.089 4.805 1.00 0.00 C ATOM 708 CG LEU A 482 108.885 4.951 4.362 1.00 0.00 C ATOM 709 CD1 LEU A 482 109.884 4.122 3.571 1.00 0.00 C ATOM 710 CD2 LEU A 482 108.400 6.135 3.538 1.00 0.00 C ATOM 0 H LEU A 482 107.002 2.652 6.694 1.00 0.00 H new ATOM 0 HA LEU A 482 107.477 5.453 6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 482 108.070 3.092 5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 482 107.017 3.979 3.964 1.00 0.00 H new ATOM 0 HG LEU A 482 109.386 5.332 5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 482 110.718 4.753 3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 482 110.254 3.307 4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 482 109.396 3.711 2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 482 109.254 6.739 3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 482 107.875 5.773 2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 482 107.723 6.743 4.138 1.00 0.00 H new ATOM 722 N TYR A 483 104.876 4.363 4.727 1.00 0.00 N ATOM 723 CA TYR A 483 103.563 4.749 4.219 1.00 0.00 C ATOM 724 C TYR A 483 102.628 3.546 4.166 1.00 0.00 C ATOM 725 O TYR A 483 102.991 2.492 3.650 1.00 0.00 O ATOM 726 CB TYR A 483 103.692 5.374 2.829 1.00 0.00 C ATOM 727 CG TYR A 483 102.361 5.718 2.200 1.00 0.00 C ATOM 728 CD1 TYR A 483 101.926 7.034 2.123 1.00 0.00 C ATOM 729 CD2 TYR A 483 101.537 4.723 1.687 1.00 0.00 C ATOM 730 CE1 TYR A 483 100.708 7.351 1.554 1.00 0.00 C ATOM 731 CE2 TYR A 483 100.318 5.032 1.114 1.00 0.00 C ATOM 732 CZ TYR A 483 99.908 6.346 1.050 1.00 0.00 C ATOM 733 OH TYR A 483 98.694 6.656 0.483 1.00 0.00 O ATOM 0 H TYR A 483 105.205 3.454 4.401 1.00 0.00 H new ATOM 0 HA TYR A 483 103.139 5.487 4.900 1.00 0.00 H new ATOM 0 HB2 TYR A 483 104.297 6.278 2.900 1.00 0.00 H new ATOM 0 HB3 TYR A 483 104.226 4.684 2.176 1.00 0.00 H new ATOM 0 HD1 TYR A 483 102.550 7.823 2.515 1.00 0.00 H new ATOM 0 HD2 TYR A 483 101.855 3.692 1.737 1.00 0.00 H new ATOM 0 HE1 TYR A 483 100.384 8.380 1.504 1.00 0.00 H new ATOM 0 HE2 TYR A 483 99.690 4.248 0.718 1.00 0.00 H new ATOM 0 HH TYR A 483 98.257 5.834 0.177 1.00 0.00 H new ATOM 743 N VAL A 484 101.423 3.706 4.707 1.00 0.00 N ATOM 744 CA VAL A 484 100.449 2.623 4.723 1.00 0.00 C ATOM 745 C VAL A 484 99.308 2.870 3.741 1.00 0.00 C ATOM 746 O VAL A 484 98.585 3.861 3.844 1.00 0.00 O ATOM 747 CB VAL A 484 99.862 2.414 6.130 1.00 0.00 C ATOM 748 CG1 VAL A 484 99.410 3.739 6.725 1.00 0.00 C ATOM 749 CG2 VAL A 484 98.712 1.420 6.085 1.00 0.00 C ATOM 0 H VAL A 484 101.100 4.572 5.138 1.00 0.00 H new ATOM 0 HA VAL A 484 100.987 1.725 4.420 1.00 0.00 H new ATOM 0 HB VAL A 484 100.642 2.004 6.772 1.00 0.00 H new ATOM 0 HG11 VAL A 484 98.998 3.569 7.720 1.00 0.00 H new ATOM 0 HG12 VAL A 484 100.262 4.416 6.795 1.00 0.00 H new ATOM 0 HG13 VAL A 484 98.646 4.183 6.087 1.00 0.00 H new ATOM 0 HG21 VAL A 484 98.309 1.284 7.089 1.00 0.00 H new ATOM 0 HG22 VAL A 484 97.929 1.799 5.428 1.00 0.00 H new ATOM 0 HG23 VAL A 484 99.072 0.464 5.706 1.00 0.00 H new ATOM 759 N ASP A 485 99.153 1.953 2.788 1.00 0.00 N ATOM 760 CA ASP A 485 98.101 2.054 1.781 1.00 0.00 C ATOM 761 C ASP A 485 96.929 1.132 2.114 1.00 0.00 C ATOM 762 O ASP A 485 97.121 -0.050 2.404 1.00 0.00 O ATOM 763 CB ASP A 485 98.655 1.708 0.397 1.00 0.00 C ATOM 764 CG ASP A 485 97.556 1.415 -0.608 1.00 0.00 C ATOM 765 OD1 ASP A 485 96.849 0.399 -0.435 1.00 0.00 O ATOM 766 OD2 ASP A 485 97.401 2.203 -1.566 1.00 0.00 O ATOM 0 H ASP A 485 99.746 1.129 2.693 1.00 0.00 H new ATOM 0 HA ASP A 485 97.740 3.082 1.777 1.00 0.00 H new ATOM 0 HB2 ASP A 485 99.264 2.536 0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 485 99.311 0.841 0.477 1.00 0.00 H new ATOM 771 N LEU A 486 95.717 1.673 2.057 1.00 0.00 N ATOM 772 CA LEU A 486 94.512 0.897 2.337 1.00 0.00 C ATOM 773 C LEU A 486 93.565 0.955 1.144 1.00 0.00 C ATOM 774 O LEU A 486 93.282 2.034 0.622 1.00 0.00 O ATOM 775 CB LEU A 486 93.817 1.429 3.593 1.00 0.00 C ATOM 776 CG LEU A 486 92.422 0.857 3.865 1.00 0.00 C ATOM 777 CD1 LEU A 486 92.290 -0.550 3.303 1.00 0.00 C ATOM 778 CD2 LEU A 486 92.134 0.863 5.359 1.00 0.00 C ATOM 0 H LEU A 486 95.542 2.649 1.819 1.00 0.00 H new ATOM 0 HA LEU A 486 94.795 -0.141 2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 486 94.451 1.220 4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 486 93.737 2.513 3.512 1.00 0.00 H new ATOM 0 HG LEU A 486 91.690 1.489 3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 486 91.290 -0.932 3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 486 92.454 -0.528 2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 486 93.031 -1.199 3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 486 91.140 0.454 5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 486 92.876 0.254 5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 486 92.180 1.885 5.734 1.00 0.00 H new ATOM 790 N LEU A 487 93.085 -0.205 0.701 1.00 0.00 N ATOM 791 CA LEU A 487 92.184 -0.270 -0.445 1.00 0.00 C ATOM 792 C LEU A 487 90.815 0.328 -0.127 1.00 0.00 C ATOM 793 O LEU A 487 90.021 -0.267 0.596 1.00 0.00 O ATOM 794 CB LEU A 487 92.019 -1.723 -0.896 1.00 0.00 C ATOM 795 CG LEU A 487 91.996 -1.934 -2.411 1.00 0.00 C ATOM 796 CD1 LEU A 487 91.015 -0.977 -3.069 1.00 0.00 C ATOM 797 CD2 LEU A 487 93.390 -1.755 -2.991 1.00 0.00 C ATOM 0 H LEU A 487 93.305 -1.110 1.118 1.00 0.00 H new ATOM 0 HA LEU A 487 92.628 0.319 -1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 487 92.834 -2.312 -0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 487 91.092 -2.114 -0.476 1.00 0.00 H new ATOM 0 HG LEU A 487 91.666 -2.953 -2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 487 91.013 -1.142 -4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 487 90.015 -1.152 -2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 487 91.313 0.050 -2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 487 93.358 -1.908 -4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 487 93.746 -0.747 -2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 487 94.067 -2.481 -2.542 1.00 0.00 H new ATOM 809 N GLU A 488 90.546 1.496 -0.695 1.00 0.00 N ATOM 810 CA GLU A 488 89.269 2.183 -0.505 1.00 0.00 C ATOM 811 C GLU A 488 88.700 1.974 0.899 1.00 0.00 C ATOM 812 O GLU A 488 87.487 1.859 1.071 1.00 0.00 O ATOM 813 CB GLU A 488 88.257 1.705 -1.546 1.00 0.00 C ATOM 814 CG GLU A 488 87.581 2.839 -2.297 1.00 0.00 C ATOM 815 CD GLU A 488 87.840 2.788 -3.790 1.00 0.00 C ATOM 816 OE1 GLU A 488 87.255 3.613 -4.523 1.00 0.00 O ATOM 817 OE2 GLU A 488 88.629 1.924 -4.226 1.00 0.00 O ATOM 0 H GLU A 488 91.201 1.994 -1.298 1.00 0.00 H new ATOM 0 HA GLU A 488 89.456 3.250 -0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 488 88.762 1.056 -2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 488 87.495 1.102 -1.051 1.00 0.00 H new ATOM 0 HG2 GLU A 488 86.507 2.799 -2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 488 87.935 3.792 -1.903 1.00 0.00 H new ATOM 824 N GLY A 489 89.572 1.947 1.899 1.00 0.00 N ATOM 825 CA GLY A 489 89.122 1.775 3.271 1.00 0.00 C ATOM 826 C GLY A 489 88.566 0.393 3.555 1.00 0.00 C ATOM 827 O GLY A 489 88.113 0.119 4.667 1.00 0.00 O ATOM 0 H GLY A 489 90.581 2.041 1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 489 89.956 1.968 3.946 1.00 0.00 H new ATOM 0 HA3 GLY A 489 88.356 2.519 3.490 1.00 0.00 H new ATOM 831 N ASP A 490 88.601 -0.479 2.557 1.00 0.00 N ATOM 832 CA ASP A 490 88.102 -1.840 2.711 1.00 0.00 C ATOM 833 C ASP A 490 88.771 -2.527 3.897 1.00 0.00 C ATOM 834 O ASP A 490 89.309 -1.866 4.783 1.00 0.00 O ATOM 835 CB ASP A 490 88.355 -2.636 1.433 1.00 0.00 C ATOM 836 CG ASP A 490 87.252 -3.634 1.143 1.00 0.00 C ATOM 837 OD1 ASP A 490 87.082 -4.006 -0.037 1.00 0.00 O ATOM 838 OD2 ASP A 490 86.556 -4.043 2.096 1.00 0.00 O ATOM 0 H ASP A 490 88.970 -0.268 1.630 1.00 0.00 H new ATOM 0 HA ASP A 490 87.029 -1.797 2.898 1.00 0.00 H new ATOM 0 HB2 ASP A 490 88.448 -1.948 0.593 1.00 0.00 H new ATOM 0 HB3 ASP A 490 89.305 -3.164 1.520 1.00 0.00 H new ATOM 843 N THR A 491 88.748 -3.857 3.905 1.00 0.00 N ATOM 844 CA THR A 491 89.365 -4.620 4.981 1.00 0.00 C ATOM 845 C THR A 491 90.725 -5.165 4.552 1.00 0.00 C ATOM 846 O THR A 491 91.350 -5.943 5.272 1.00 0.00 O ATOM 847 CB THR A 491 88.469 -5.794 5.428 1.00 0.00 C ATOM 848 OG1 THR A 491 87.904 -6.477 4.302 1.00 0.00 O ATOM 849 CG2 THR A 491 87.333 -5.302 6.312 1.00 0.00 C ATOM 0 H THR A 491 88.310 -4.425 3.180 1.00 0.00 H new ATOM 0 HA THR A 491 89.496 -3.937 5.821 1.00 0.00 H new ATOM 0 HB THR A 491 89.103 -6.482 5.987 1.00 0.00 H new ATOM 0 HG1 THR A 491 87.343 -7.217 4.616 1.00 0.00 H new ATOM 0 HG21 THR A 491 86.715 -6.147 6.615 1.00 0.00 H new ATOM 0 HG22 THR A 491 87.745 -4.818 7.198 1.00 0.00 H new ATOM 0 HG23 THR A 491 86.724 -4.587 5.758 1.00 0.00 H new ATOM 857 N GLU A 492 91.177 -4.748 3.372 1.00 0.00 N ATOM 858 CA GLU A 492 92.462 -5.189 2.842 1.00 0.00 C ATOM 859 C GLU A 492 93.392 -3.999 2.623 1.00 0.00 C ATOM 860 O GLU A 492 93.157 -3.168 1.746 1.00 0.00 O ATOM 861 CB GLU A 492 92.263 -5.942 1.526 1.00 0.00 C ATOM 862 CG GLU A 492 91.928 -5.035 0.354 1.00 0.00 C ATOM 863 CD GLU A 492 91.282 -5.782 -0.798 1.00 0.00 C ATOM 864 OE1 GLU A 492 92.010 -6.182 -1.730 1.00 0.00 O ATOM 865 OE2 GLU A 492 90.046 -5.966 -0.767 1.00 0.00 O ATOM 0 H GLU A 492 90.670 -4.104 2.765 1.00 0.00 H new ATOM 0 HA GLU A 492 92.919 -5.859 3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 492 93.170 -6.501 1.295 1.00 0.00 H new ATOM 0 HB3 GLU A 492 91.463 -6.671 1.651 1.00 0.00 H new ATOM 0 HG2 GLU A 492 91.257 -4.245 0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 492 92.839 -4.551 0.002 1.00 0.00 H new ATOM 872 N CYS A 493 94.446 -3.922 3.427 1.00 0.00 N ATOM 873 CA CYS A 493 95.407 -2.831 3.318 1.00 0.00 C ATOM 874 C CYS A 493 96.837 -3.357 3.335 1.00 0.00 C ATOM 875 O CYS A 493 97.136 -4.355 3.990 1.00 0.00 O ATOM 876 CB CYS A 493 95.204 -1.835 4.461 1.00 0.00 C ATOM 877 SG CYS A 493 96.021 -2.308 6.004 1.00 0.00 S ATOM 0 H CYS A 493 94.657 -4.600 4.159 1.00 0.00 H new ATOM 0 HA CYS A 493 95.240 -2.326 2.367 1.00 0.00 H new ATOM 0 HB2 CYS A 493 95.576 -0.859 4.149 1.00 0.00 H new ATOM 0 HB3 CYS A 493 94.136 -1.724 4.647 1.00 0.00 H new ATOM 0 HG CYS A 493 96.751 -1.320 6.429 1.00 0.00 H new ATOM 883 N HIS A 494 97.720 -2.673 2.615 1.00 0.00 N ATOM 884 CA HIS A 494 99.125 -3.060 2.549 1.00 0.00 C ATOM 885 C HIS A 494 100.015 -1.869 2.883 1.00 0.00 C ATOM 886 O HIS A 494 99.974 -0.845 2.200 1.00 0.00 O ATOM 887 CB HIS A 494 99.468 -3.599 1.159 1.00 0.00 C ATOM 888 CG HIS A 494 98.708 -4.835 0.792 1.00 0.00 C ATOM 889 ND1 HIS A 494 97.331 -4.913 0.836 1.00 0.00 N ATOM 890 CD2 HIS A 494 99.139 -6.048 0.374 1.00 0.00 C ATOM 891 CE1 HIS A 494 96.949 -6.121 0.462 1.00 0.00 C ATOM 892 NE2 HIS A 494 98.027 -6.828 0.176 1.00 0.00 N ATOM 0 H HIS A 494 97.486 -1.845 2.067 1.00 0.00 H new ATOM 0 HA HIS A 494 99.301 -3.849 3.281 1.00 0.00 H new ATOM 0 HB2 HIS A 494 99.266 -2.825 0.418 1.00 0.00 H new ATOM 0 HB3 HIS A 494 100.536 -3.812 1.114 1.00 0.00 H new ATOM 0 HD2 HIS A 494 100.166 -6.346 0.224 1.00 0.00 H new ATOM 0 HE1 HIS A 494 95.929 -6.471 0.401 1.00 0.00 H new ATOM 0 HE2 HIS A 494 98.032 -7.797 -0.141 1.00 0.00 H new ATOM 901 N ALA A 495 100.804 -1.993 3.945 1.00 0.00 N ATOM 902 CA ALA A 495 101.680 -0.908 4.369 1.00 0.00 C ATOM 903 C ALA A 495 103.127 -1.133 3.937 1.00 0.00 C ATOM 904 O ALA A 495 103.668 -2.230 4.074 1.00 0.00 O ATOM 905 CB ALA A 495 101.610 -0.718 5.876 1.00 0.00 C ATOM 0 H ALA A 495 100.855 -2.830 4.525 1.00 0.00 H new ATOM 0 HA ALA A 495 101.325 -0.003 3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 495 102.271 0.097 6.171 1.00 0.00 H new ATOM 0 HB2 ALA A 495 100.587 -0.478 6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 495 101.921 -1.637 6.373 1.00 0.00 H new ATOM 911 N ARG A 496 103.747 -0.072 3.432 1.00 0.00 N ATOM 912 CA ARG A 496 105.138 -0.117 2.994 1.00 0.00 C ATOM 913 C ARG A 496 106.063 0.302 4.134 1.00 0.00 C ATOM 914 O ARG A 496 105.843 1.331 4.778 1.00 0.00 O ATOM 915 CB ARG A 496 105.346 0.805 1.789 1.00 0.00 C ATOM 916 CG ARG A 496 104.117 0.941 0.902 1.00 0.00 C ATOM 917 CD ARG A 496 104.500 1.072 -0.562 1.00 0.00 C ATOM 918 NE ARG A 496 103.775 2.152 -1.225 1.00 0.00 N ATOM 919 CZ ARG A 496 104.043 3.441 -1.041 1.00 0.00 C ATOM 920 NH1 ARG A 496 105.011 3.808 -0.213 1.00 0.00 N ATOM 921 NH2 ARG A 496 103.343 4.363 -1.684 1.00 0.00 N ATOM 0 H ARG A 496 103.303 0.839 3.315 1.00 0.00 H new ATOM 0 HA ARG A 496 105.377 -1.139 2.701 1.00 0.00 H new ATOM 0 HB2 ARG A 496 105.637 1.793 2.145 1.00 0.00 H new ATOM 0 HB3 ARG A 496 106.174 0.425 1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 496 103.473 0.072 1.035 1.00 0.00 H new ATOM 0 HG3 ARG A 496 103.541 1.814 1.208 1.00 0.00 H new ATOM 0 HD2 ARG A 496 105.572 1.254 -0.641 1.00 0.00 H new ATOM 0 HD3 ARG A 496 104.297 0.132 -1.075 1.00 0.00 H new ATOM 0 HE ARG A 496 103.021 1.904 -1.865 1.00 0.00 H new ATOM 0 HH11 ARG A 496 105.552 3.101 0.284 1.00 0.00 H new ATOM 0 HH12 ARG A 496 105.215 4.798 -0.073 1.00 0.00 H new ATOM 0 HH21 ARG A 496 102.597 4.085 -2.321 1.00 0.00 H new ATOM 0 HH22 ARG A 496 103.550 5.352 -1.542 1.00 0.00 H new ATOM 935 N PHE A 497 107.099 -0.494 4.374 1.00 0.00 N ATOM 936 CA PHE A 497 108.064 -0.207 5.434 1.00 0.00 C ATOM 937 C PHE A 497 109.401 0.231 4.848 1.00 0.00 C ATOM 938 O PHE A 497 109.745 -0.136 3.724 1.00 0.00 O ATOM 939 CB PHE A 497 108.271 -1.439 6.317 1.00 0.00 C ATOM 940 CG PHE A 497 107.068 -1.813 7.135 1.00 0.00 C ATOM 941 CD1 PHE A 497 107.180 -2.018 8.501 1.00 0.00 C ATOM 942 CD2 PHE A 497 105.828 -1.959 6.538 1.00 0.00 C ATOM 943 CE1 PHE A 497 106.076 -2.365 9.256 1.00 0.00 C ATOM 944 CE2 PHE A 497 104.720 -2.305 7.286 1.00 0.00 C ATOM 945 CZ PHE A 497 104.844 -2.508 8.648 1.00 0.00 C ATOM 0 H PHE A 497 107.294 -1.346 3.848 1.00 0.00 H new ATOM 0 HA PHE A 497 107.663 0.606 6.040 1.00 0.00 H new ATOM 0 HB2 PHE A 497 108.545 -2.284 5.686 1.00 0.00 H new ATOM 0 HB3 PHE A 497 109.111 -1.256 6.987 1.00 0.00 H new ATOM 0 HD1 PHE A 497 108.141 -1.905 8.981 1.00 0.00 H new ATOM 0 HD2 PHE A 497 105.726 -1.800 5.475 1.00 0.00 H new ATOM 0 HE1 PHE A 497 106.176 -2.524 10.320 1.00 0.00 H new ATOM 0 HE2 PHE A 497 103.758 -2.417 6.808 1.00 0.00 H new ATOM 0 HZ PHE A 497 103.979 -2.778 9.236 1.00 0.00 H new ATOM 955 N LYS A 498 110.155 1.013 5.615 1.00 0.00 N ATOM 956 CA LYS A 498 111.456 1.491 5.164 1.00 0.00 C ATOM 957 C LYS A 498 112.533 0.436 5.406 1.00 0.00 C ATOM 958 O LYS A 498 113.595 0.467 4.785 1.00 0.00 O ATOM 959 CB LYS A 498 111.827 2.789 5.885 1.00 0.00 C ATOM 960 CG LYS A 498 111.924 2.645 7.396 1.00 0.00 C ATOM 961 CD LYS A 498 111.298 3.833 8.110 1.00 0.00 C ATOM 962 CE LYS A 498 112.351 4.838 8.551 1.00 0.00 C ATOM 963 NZ LYS A 498 112.123 5.307 9.945 1.00 0.00 N ATOM 0 H LYS A 498 109.888 1.328 6.548 1.00 0.00 H new ATOM 0 HA LYS A 498 111.393 1.686 4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 498 112.782 3.147 5.501 1.00 0.00 H new ATOM 0 HB3 LYS A 498 111.084 3.550 5.649 1.00 0.00 H new ATOM 0 HG2 LYS A 498 111.425 1.727 7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 498 112.970 2.554 7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 498 110.583 4.321 7.448 1.00 0.00 H new ATOM 0 HD3 LYS A 498 110.741 3.484 8.979 1.00 0.00 H new ATOM 0 HE2 LYS A 498 113.339 4.384 8.478 1.00 0.00 H new ATOM 0 HE3 LYS A 498 112.342 5.693 7.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 112.985 5.766 10.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 111.337 5.988 9.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 111.887 4.495 10.550 1.00 0.00 H new ATOM 977 N THR A 499 112.248 -0.500 6.308 1.00 0.00 N ATOM 978 CA THR A 499 113.191 -1.566 6.628 1.00 0.00 C ATOM 979 C THR A 499 112.474 -2.901 6.797 1.00 0.00 C ATOM 980 O THR A 499 111.315 -2.949 7.207 1.00 0.00 O ATOM 981 CB THR A 499 113.979 -1.258 7.915 1.00 0.00 C ATOM 982 OG1 THR A 499 113.167 -0.563 8.869 1.00 0.00 O ATOM 983 CG2 THR A 499 115.203 -0.408 7.613 1.00 0.00 C ATOM 0 H THR A 499 111.372 -0.541 6.829 1.00 0.00 H new ATOM 0 HA THR A 499 113.887 -1.629 5.792 1.00 0.00 H new ATOM 0 HB THR A 499 114.289 -2.216 8.333 1.00 0.00 H new ATOM 0 HG1 THR A 499 113.078 -1.106 9.680 1.00 0.00 H new ATOM 0 HG21 THR A 499 115.742 -0.205 8.538 1.00 0.00 H new ATOM 0 HG22 THR A 499 115.856 -0.942 6.923 1.00 0.00 H new ATOM 0 HG23 THR A 499 114.890 0.533 7.161 1.00 0.00 H new ATOM 991 N PRO A 500 113.165 -4.005 6.482 1.00 0.00 N ATOM 992 CA PRO A 500 112.604 -5.356 6.596 1.00 0.00 C ATOM 993 C PRO A 500 112.408 -5.788 8.045 1.00 0.00 C ATOM 994 O PRO A 500 111.449 -6.485 8.372 1.00 0.00 O ATOM 995 CB PRO A 500 113.659 -6.235 5.924 1.00 0.00 C ATOM 996 CG PRO A 500 114.931 -5.472 6.061 1.00 0.00 C ATOM 997 CD PRO A 500 114.553 -4.020 5.987 1.00 0.00 C ATOM 0 HA PRO A 500 111.615 -5.421 6.142 1.00 0.00 H new ATOM 0 HB2 PRO A 500 113.728 -7.210 6.407 1.00 0.00 H new ATOM 0 HB3 PRO A 500 113.416 -6.415 4.877 1.00 0.00 H new ATOM 0 HG2 PRO A 500 115.422 -5.699 7.007 1.00 0.00 H new ATOM 0 HG3 PRO A 500 115.631 -5.734 5.267 1.00 0.00 H new ATOM 0 HD2 PRO A 500 115.206 -3.402 6.603 1.00 0.00 H new ATOM 0 HD3 PRO A 500 114.621 -3.638 4.968 1.00 0.00 H new ATOM 1005 N GLU A 501 113.328 -5.371 8.908 1.00 0.00 N ATOM 1006 CA GLU A 501 113.262 -5.718 10.324 1.00 0.00 C ATOM 1007 C GLU A 501 111.991 -5.172 10.967 1.00 0.00 C ATOM 1008 O GLU A 501 111.366 -5.838 11.792 1.00 0.00 O ATOM 1009 CB GLU A 501 114.492 -5.181 11.058 1.00 0.00 C ATOM 1010 CG GLU A 501 114.702 -3.685 10.883 1.00 0.00 C ATOM 1011 CD GLU A 501 115.572 -3.089 11.973 1.00 0.00 C ATOM 1012 OE1 GLU A 501 115.804 -1.862 11.943 1.00 0.00 O ATOM 1013 OE2 GLU A 501 116.020 -3.849 12.857 1.00 0.00 O ATOM 0 H GLU A 501 114.128 -4.792 8.652 1.00 0.00 H new ATOM 0 HA GLU A 501 113.244 -6.805 10.403 1.00 0.00 H new ATOM 0 HB2 GLU A 501 114.396 -5.404 12.121 1.00 0.00 H new ATOM 0 HB3 GLU A 501 115.377 -5.708 10.700 1.00 0.00 H new ATOM 0 HG2 GLU A 501 115.161 -3.497 9.913 1.00 0.00 H new ATOM 0 HG3 GLU A 501 113.734 -3.183 10.880 1.00 0.00 H new ATOM 1020 N ASP A 502 111.614 -3.956 10.586 1.00 0.00 N ATOM 1021 CA ASP A 502 110.418 -3.321 11.130 1.00 0.00 C ATOM 1022 C ASP A 502 109.172 -4.149 10.832 1.00 0.00 C ATOM 1023 O ASP A 502 108.318 -4.337 11.698 1.00 0.00 O ATOM 1024 CB ASP A 502 110.252 -1.916 10.549 1.00 0.00 C ATOM 1025 CG ASP A 502 110.991 -0.866 11.354 1.00 0.00 C ATOM 1026 OD1 ASP A 502 112.208 -1.038 11.579 1.00 0.00 O ATOM 1027 OD2 ASP A 502 110.354 0.128 11.760 1.00 0.00 O ATOM 0 H ASP A 502 112.119 -3.391 9.903 1.00 0.00 H new ATOM 0 HA ASP A 502 110.539 -3.253 12.211 1.00 0.00 H new ATOM 0 HB2 ASP A 502 110.617 -1.905 9.522 1.00 0.00 H new ATOM 0 HB3 ASP A 502 109.192 -1.663 10.514 1.00 0.00 H new ATOM 1032 N ALA A 503 109.074 -4.639 9.600 1.00 0.00 N ATOM 1033 CA ALA A 503 107.929 -5.441 9.185 1.00 0.00 C ATOM 1034 C ALA A 503 107.895 -6.781 9.915 1.00 0.00 C ATOM 1035 O ALA A 503 106.837 -7.233 10.351 1.00 0.00 O ATOM 1036 CB ALA A 503 107.944 -5.666 7.682 1.00 0.00 C ATOM 0 H ALA A 503 109.774 -4.495 8.872 1.00 0.00 H new ATOM 0 HA ALA A 503 107.028 -4.886 9.448 1.00 0.00 H new ATOM 0 HB1 ALA A 503 107.081 -6.267 7.395 1.00 0.00 H new ATOM 0 HB2 ALA A 503 107.903 -4.705 7.170 1.00 0.00 H new ATOM 0 HB3 ALA A 503 108.859 -6.188 7.401 1.00 0.00 H new ATOM 1042 N GLN A 504 109.056 -7.415 10.035 1.00 0.00 N ATOM 1043 CA GLN A 504 109.158 -8.707 10.704 1.00 0.00 C ATOM 1044 C GLN A 504 108.743 -8.604 12.170 1.00 0.00 C ATOM 1045 O GLN A 504 108.033 -9.464 12.688 1.00 0.00 O ATOM 1046 CB GLN A 504 110.589 -9.240 10.601 1.00 0.00 C ATOM 1047 CG GLN A 504 110.806 -10.556 11.331 1.00 0.00 C ATOM 1048 CD GLN A 504 112.275 -10.866 11.542 1.00 0.00 C ATOM 1049 OE1 GLN A 504 112.646 -11.550 12.495 1.00 0.00 O ATOM 1050 NE2 GLN A 504 113.119 -10.363 10.649 1.00 0.00 N ATOM 0 H GLN A 504 109.941 -7.055 9.677 1.00 0.00 H new ATOM 0 HA GLN A 504 108.479 -9.400 10.207 1.00 0.00 H new ATOM 0 HB2 GLN A 504 110.843 -9.372 9.549 1.00 0.00 H new ATOM 0 HB3 GLN A 504 111.275 -8.494 11.003 1.00 0.00 H new ATOM 0 HG2 GLN A 504 110.303 -10.519 12.297 1.00 0.00 H new ATOM 0 HG3 GLN A 504 110.345 -11.364 10.762 1.00 0.00 H new ATOM 0 HE21 GLN A 504 112.767 -9.801 9.874 1.00 0.00 H new ATOM 0 HE22 GLN A 504 114.120 -10.539 10.738 1.00 0.00 H new ATOM 1059 N ALA A 505 109.206 -7.555 12.838 1.00 0.00 N ATOM 1060 CA ALA A 505 108.892 -7.350 14.247 1.00 0.00 C ATOM 1061 C ALA A 505 107.405 -7.065 14.467 1.00 0.00 C ATOM 1062 O ALA A 505 106.812 -7.550 15.430 1.00 0.00 O ATOM 1063 CB ALA A 505 109.734 -6.225 14.831 1.00 0.00 C ATOM 0 H ALA A 505 109.799 -6.834 12.428 1.00 0.00 H new ATOM 0 HA ALA A 505 109.132 -8.278 14.766 1.00 0.00 H new ATOM 0 HB1 ALA A 505 109.482 -6.090 15.883 1.00 0.00 H new ATOM 0 HB2 ALA A 505 110.791 -6.477 14.740 1.00 0.00 H new ATOM 0 HB3 ALA A 505 109.533 -5.301 14.289 1.00 0.00 H new ATOM 1069 N VAL A 506 106.810 -6.264 13.584 1.00 0.00 N ATOM 1070 CA VAL A 506 105.396 -5.909 13.711 1.00 0.00 C ATOM 1071 C VAL A 506 104.477 -7.102 13.460 1.00 0.00 C ATOM 1072 O VAL A 506 103.506 -7.308 14.188 1.00 0.00 O ATOM 1073 CB VAL A 506 105.010 -4.776 12.741 1.00 0.00 C ATOM 1074 CG1 VAL A 506 105.400 -5.133 11.314 1.00 0.00 C ATOM 1075 CG2 VAL A 506 103.520 -4.479 12.835 1.00 0.00 C ATOM 0 H VAL A 506 107.280 -5.851 12.779 1.00 0.00 H new ATOM 0 HA VAL A 506 105.263 -5.572 14.739 1.00 0.00 H new ATOM 0 HB VAL A 506 105.557 -3.878 13.027 1.00 0.00 H new ATOM 0 HG11 VAL A 506 105.118 -4.319 10.645 1.00 0.00 H new ATOM 0 HG12 VAL A 506 106.477 -5.291 11.260 1.00 0.00 H new ATOM 0 HG13 VAL A 506 104.884 -6.045 11.013 1.00 0.00 H new ATOM 0 HG21 VAL A 506 103.265 -3.676 12.143 1.00 0.00 H new ATOM 0 HG22 VAL A 506 102.954 -5.374 12.577 1.00 0.00 H new ATOM 0 HG23 VAL A 506 103.273 -4.174 13.852 1.00 0.00 H new ATOM 1085 N ILE A 507 104.780 -7.881 12.429 1.00 0.00 N ATOM 1086 CA ILE A 507 103.965 -9.044 12.092 1.00 0.00 C ATOM 1087 C ILE A 507 104.020 -10.089 13.198 1.00 0.00 C ATOM 1088 O ILE A 507 103.043 -10.795 13.449 1.00 0.00 O ATOM 1089 CB ILE A 507 104.408 -9.690 10.767 1.00 0.00 C ATOM 1090 CG1 ILE A 507 105.919 -9.909 10.755 1.00 0.00 C ATOM 1091 CG2 ILE A 507 103.987 -8.830 9.585 1.00 0.00 C ATOM 1092 CD1 ILE A 507 106.326 -11.336 11.045 1.00 0.00 C ATOM 0 H ILE A 507 105.580 -7.731 11.814 1.00 0.00 H new ATOM 0 HA ILE A 507 102.942 -8.685 11.980 1.00 0.00 H new ATOM 0 HB ILE A 507 103.918 -10.660 10.679 1.00 0.00 H new ATOM 0 HG12 ILE A 507 106.312 -9.619 9.781 1.00 0.00 H new ATOM 0 HG13 ILE A 507 106.379 -9.252 11.493 1.00 0.00 H new ATOM 0 HG21 ILE A 507 104.309 -9.303 8.658 1.00 0.00 H new ATOM 0 HG22 ILE A 507 102.902 -8.724 9.580 1.00 0.00 H new ATOM 0 HG23 ILE A 507 104.448 -7.846 9.669 1.00 0.00 H new ATOM 0 HD11 ILE A 507 107.413 -11.417 11.020 1.00 0.00 H new ATOM 0 HD12 ILE A 507 105.963 -11.624 12.032 1.00 0.00 H new ATOM 0 HD13 ILE A 507 105.896 -11.997 10.293 1.00 0.00 H new ATOM 1104 N ASN A 508 105.160 -10.166 13.869 1.00 0.00 N ATOM 1105 CA ASN A 508 105.333 -11.107 14.966 1.00 0.00 C ATOM 1106 C ASN A 508 104.501 -10.674 16.169 1.00 0.00 C ATOM 1107 O ASN A 508 103.895 -11.498 16.855 1.00 0.00 O ATOM 1108 CB ASN A 508 106.807 -11.199 15.362 1.00 0.00 C ATOM 1109 CG ASN A 508 107.606 -12.075 14.418 1.00 0.00 C ATOM 1110 OD1 ASN A 508 107.191 -13.184 14.081 1.00 0.00 O ATOM 1111 ND2 ASN A 508 108.760 -11.579 13.986 1.00 0.00 N ATOM 0 H ASN A 508 105.978 -9.589 13.673 1.00 0.00 H new ATOM 0 HA ASN A 508 104.995 -12.089 14.634 1.00 0.00 H new ATOM 0 HB2 ASN A 508 107.239 -10.198 15.378 1.00 0.00 H new ATOM 0 HB3 ASN A 508 106.884 -11.596 16.374 1.00 0.00 H new ATOM 0 HD21 ASN A 508 109.342 -12.122 13.348 1.00 0.00 H new ATOM 0 HD22 ASN A 508 109.064 -10.655 14.292 1.00 0.00 H new ATOM 1118 N ALA A 509 104.489 -9.369 16.410 1.00 0.00 N ATOM 1119 CA ALA A 509 103.748 -8.790 17.527 1.00 0.00 C ATOM 1120 C ALA A 509 102.249 -8.733 17.249 1.00 0.00 C ATOM 1121 O ALA A 509 101.441 -8.670 18.174 1.00 0.00 O ATOM 1122 CB ALA A 509 104.270 -7.399 17.855 1.00 0.00 C ATOM 0 H ALA A 509 104.989 -8.685 15.842 1.00 0.00 H new ATOM 0 HA ALA A 509 103.903 -9.442 18.387 1.00 0.00 H new ATOM 0 HB1 ALA A 509 103.704 -6.986 18.690 1.00 0.00 H new ATOM 0 HB2 ALA A 509 105.324 -7.460 18.126 1.00 0.00 H new ATOM 0 HB3 ALA A 509 104.156 -6.753 16.984 1.00 0.00 H new ATOM 1128 N TYR A 510 101.884 -8.731 15.971 1.00 0.00 N ATOM 1129 CA TYR A 510 100.481 -8.653 15.584 1.00 0.00 C ATOM 1130 C TYR A 510 99.676 -9.827 16.118 1.00 0.00 C ATOM 1131 O TYR A 510 98.451 -9.753 16.208 1.00 0.00 O ATOM 1132 CB TYR A 510 100.338 -8.580 14.071 1.00 0.00 C ATOM 1133 CG TYR A 510 99.882 -7.225 13.591 1.00 0.00 C ATOM 1134 CD1 TYR A 510 99.043 -7.093 12.492 1.00 0.00 C ATOM 1135 CD2 TYR A 510 100.299 -6.075 14.242 1.00 0.00 C ATOM 1136 CE1 TYR A 510 98.632 -5.847 12.057 1.00 0.00 C ATOM 1137 CE2 TYR A 510 99.892 -4.826 13.815 1.00 0.00 C ATOM 1138 CZ TYR A 510 99.060 -4.717 12.721 1.00 0.00 C ATOM 1139 OH TYR A 510 98.654 -3.475 12.291 1.00 0.00 O ATOM 0 H TYR A 510 102.537 -8.782 15.189 1.00 0.00 H new ATOM 0 HA TYR A 510 100.083 -7.740 16.027 1.00 0.00 H new ATOM 0 HB2 TYR A 510 101.295 -8.821 13.608 1.00 0.00 H new ATOM 0 HB3 TYR A 510 99.625 -9.336 13.741 1.00 0.00 H new ATOM 0 HD1 TYR A 510 98.707 -7.977 11.970 1.00 0.00 H new ATOM 0 HD2 TYR A 510 100.953 -6.157 15.097 1.00 0.00 H new ATOM 0 HE1 TYR A 510 97.979 -5.759 11.201 1.00 0.00 H new ATOM 0 HE2 TYR A 510 100.224 -3.940 14.335 1.00 0.00 H new ATOM 0 HH TYR A 510 97.679 -3.408 12.358 1.00 0.00 H new ATOM 1149 N THR A 511 100.355 -10.903 16.488 1.00 0.00 N ATOM 1150 CA THR A 511 99.665 -12.061 17.027 1.00 0.00 C ATOM 1151 C THR A 511 98.760 -11.621 18.166 1.00 0.00 C ATOM 1152 O THR A 511 97.661 -12.144 18.349 1.00 0.00 O ATOM 1153 CB THR A 511 100.654 -13.124 17.543 1.00 0.00 C ATOM 1154 OG1 THR A 511 101.447 -12.617 18.624 1.00 0.00 O ATOM 1155 CG2 THR A 511 101.588 -13.579 16.432 1.00 0.00 C ATOM 0 H THR A 511 101.369 -10.997 16.426 1.00 0.00 H new ATOM 0 HA THR A 511 99.078 -12.508 16.225 1.00 0.00 H new ATOM 0 HB THR A 511 100.059 -13.967 17.895 1.00 0.00 H new ATOM 0 HG1 THR A 511 102.270 -12.222 18.268 1.00 0.00 H new ATOM 0 HG21 THR A 511 102.277 -14.329 16.820 1.00 0.00 H new ATOM 0 HG22 THR A 511 101.004 -14.009 15.619 1.00 0.00 H new ATOM 0 HG23 THR A 511 102.154 -12.725 16.060 1.00 0.00 H new ATOM 1163 N GLU A 512 99.249 -10.654 18.933 1.00 0.00 N ATOM 1164 CA GLU A 512 98.511 -10.123 20.073 1.00 0.00 C ATOM 1165 C GLU A 512 97.137 -9.616 19.651 1.00 0.00 C ATOM 1166 O GLU A 512 96.140 -9.869 20.326 1.00 0.00 O ATOM 1167 CB GLU A 512 99.301 -8.994 20.737 1.00 0.00 C ATOM 1168 CG GLU A 512 100.662 -9.429 21.257 1.00 0.00 C ATOM 1169 CD GLU A 512 100.711 -9.500 22.770 1.00 0.00 C ATOM 1170 OE1 GLU A 512 100.074 -10.409 23.344 1.00 0.00 O ATOM 1171 OE2 GLU A 512 101.385 -8.645 23.382 1.00 0.00 O ATOM 0 H GLU A 512 100.160 -10.219 18.785 1.00 0.00 H new ATOM 0 HA GLU A 512 98.372 -10.933 20.789 1.00 0.00 H new ATOM 0 HB2 GLU A 512 99.437 -8.185 20.019 1.00 0.00 H new ATOM 0 HB3 GLU A 512 98.717 -8.591 21.564 1.00 0.00 H new ATOM 0 HG2 GLU A 512 100.910 -10.406 20.843 1.00 0.00 H new ATOM 0 HG3 GLU A 512 101.422 -8.731 20.905 1.00 0.00 H new ATOM 1178 N ILE A 513 97.090 -8.899 18.534 1.00 0.00 N ATOM 1179 CA ILE A 513 95.832 -8.361 18.034 1.00 0.00 C ATOM 1180 C ILE A 513 94.710 -9.376 18.203 1.00 0.00 C ATOM 1181 O ILE A 513 93.621 -9.041 18.670 1.00 0.00 O ATOM 1182 CB ILE A 513 95.939 -7.964 16.547 1.00 0.00 C ATOM 1183 CG1 ILE A 513 97.136 -7.036 16.332 1.00 0.00 C ATOM 1184 CG2 ILE A 513 94.654 -7.297 16.079 1.00 0.00 C ATOM 1185 CD1 ILE A 513 97.318 -6.017 17.437 1.00 0.00 C ATOM 0 H ILE A 513 97.904 -8.678 17.961 1.00 0.00 H new ATOM 0 HA ILE A 513 95.607 -7.468 18.618 1.00 0.00 H new ATOM 0 HB ILE A 513 96.090 -8.867 15.956 1.00 0.00 H new ATOM 0 HG12 ILE A 513 98.041 -7.637 16.251 1.00 0.00 H new ATOM 0 HG13 ILE A 513 97.014 -6.513 15.383 1.00 0.00 H new ATOM 0 HG21 ILE A 513 94.748 -7.024 15.028 1.00 0.00 H new ATOM 0 HG22 ILE A 513 93.820 -7.988 16.201 1.00 0.00 H new ATOM 0 HG23 ILE A 513 94.472 -6.401 16.672 1.00 0.00 H new ATOM 0 HD11 ILE A 513 98.185 -5.394 17.218 1.00 0.00 H new ATOM 0 HD12 ILE A 513 96.429 -5.391 17.504 1.00 0.00 H new ATOM 0 HD13 ILE A 513 97.472 -6.532 18.385 1.00 0.00 H new ATOM 1197 N ASN A 514 94.984 -10.619 17.822 1.00 0.00 N ATOM 1198 CA ASN A 514 94.000 -11.685 17.931 1.00 0.00 C ATOM 1199 C ASN A 514 93.287 -11.636 19.279 1.00 0.00 C ATOM 1200 O ASN A 514 92.114 -11.994 19.386 1.00 0.00 O ATOM 1201 CB ASN A 514 94.674 -13.045 17.748 1.00 0.00 C ATOM 1202 CG ASN A 514 93.777 -14.194 18.162 1.00 0.00 C ATOM 1203 OD1 ASN A 514 94.222 -15.143 18.808 1.00 0.00 O ATOM 1204 ND2 ASN A 514 92.504 -14.113 17.793 1.00 0.00 N ATOM 0 H ASN A 514 95.881 -10.911 17.435 1.00 0.00 H new ATOM 0 HA ASN A 514 93.258 -11.543 17.145 1.00 0.00 H new ATOM 0 HB2 ASN A 514 94.959 -13.168 16.703 1.00 0.00 H new ATOM 0 HB3 ASN A 514 95.592 -13.075 18.335 1.00 0.00 H new ATOM 0 HD21 ASN A 514 91.852 -14.856 18.044 1.00 0.00 H new ATOM 0 HD22 ASN A 514 92.178 -13.308 17.258 1.00 0.00 H new ATOM 1211 N LYS A 515 94.002 -11.187 20.306 1.00 0.00 N ATOM 1212 CA LYS A 515 93.430 -11.091 21.644 1.00 0.00 C ATOM 1213 C LYS A 515 92.163 -10.242 21.622 1.00 0.00 C ATOM 1214 O LYS A 515 91.245 -10.457 22.414 1.00 0.00 O ATOM 1215 CB LYS A 515 94.449 -10.492 22.616 1.00 0.00 C ATOM 1216 CG LYS A 515 94.745 -9.023 22.361 1.00 0.00 C ATOM 1217 CD LYS A 515 93.990 -8.127 23.330 1.00 0.00 C ATOM 1218 CE LYS A 515 94.908 -7.088 23.956 1.00 0.00 C ATOM 1219 NZ LYS A 515 94.403 -6.625 25.277 1.00 0.00 N ATOM 0 H LYS A 515 94.974 -10.885 20.238 1.00 0.00 H new ATOM 0 HA LYS A 515 93.171 -12.095 21.982 1.00 0.00 H new ATOM 0 HB2 LYS A 515 94.078 -10.607 23.634 1.00 0.00 H new ATOM 0 HB3 LYS A 515 95.378 -11.058 22.549 1.00 0.00 H new ATOM 0 HG2 LYS A 515 95.816 -8.844 22.457 1.00 0.00 H new ATOM 0 HG3 LYS A 515 94.470 -8.767 21.338 1.00 0.00 H new ATOM 0 HD2 LYS A 515 93.176 -7.627 22.806 1.00 0.00 H new ATOM 0 HD3 LYS A 515 93.539 -8.735 24.114 1.00 0.00 H new ATOM 0 HE2 LYS A 515 95.906 -7.511 24.077 1.00 0.00 H new ATOM 0 HE3 LYS A 515 95.002 -6.235 23.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 515 95.057 -5.918 25.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 515 93.462 -6.199 25.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 515 94.337 -7.434 25.927 1.00 0.00 H new ATOM 1233 N LYS A 516 92.121 -9.286 20.701 1.00 0.00 N ATOM 1234 CA LYS A 516 90.967 -8.407 20.559 1.00 0.00 C ATOM 1235 C LYS A 516 90.226 -8.706 19.260 1.00 0.00 C ATOM 1236 O LYS A 516 88.997 -8.762 19.232 1.00 0.00 O ATOM 1237 CB LYS A 516 91.404 -6.941 20.588 1.00 0.00 C ATOM 1238 CG LYS A 516 90.377 -6.011 21.213 1.00 0.00 C ATOM 1239 CD LYS A 516 89.888 -6.540 22.552 1.00 0.00 C ATOM 1240 CE LYS A 516 88.579 -7.299 22.407 1.00 0.00 C ATOM 1241 NZ LYS A 516 88.467 -8.406 23.397 1.00 0.00 N ATOM 0 H LYS A 516 92.875 -9.100 20.040 1.00 0.00 H new ATOM 0 HA LYS A 516 90.293 -8.588 21.397 1.00 0.00 H new ATOM 0 HB2 LYS A 516 92.339 -6.860 21.142 1.00 0.00 H new ATOM 0 HB3 LYS A 516 91.608 -6.611 19.569 1.00 0.00 H new ATOM 0 HG2 LYS A 516 90.815 -5.022 21.349 1.00 0.00 H new ATOM 0 HG3 LYS A 516 89.531 -5.894 20.536 1.00 0.00 H new ATOM 0 HD2 LYS A 516 90.644 -7.196 22.983 1.00 0.00 H new ATOM 0 HD3 LYS A 516 89.753 -5.710 23.245 1.00 0.00 H new ATOM 0 HE2 LYS A 516 87.744 -6.611 22.536 1.00 0.00 H new ATOM 0 HE3 LYS A 516 88.504 -7.705 21.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 87.561 -8.899 23.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 89.249 -9.077 23.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 88.512 -8.016 24.360 1.00 0.00 H new ATOM 1255 N HIS A 517 90.987 -8.900 18.187 1.00 0.00 N ATOM 1256 CA HIS A 517 90.410 -9.198 16.882 1.00 0.00 C ATOM 1257 C HIS A 517 91.401 -9.975 16.018 1.00 0.00 C ATOM 1258 O HIS A 517 92.574 -9.617 15.927 1.00 0.00 O ATOM 1259 CB HIS A 517 90.002 -7.904 16.174 1.00 0.00 C ATOM 1260 CG HIS A 517 89.575 -6.818 17.112 1.00 0.00 C ATOM 1261 ND1 HIS A 517 88.265 -6.629 17.500 1.00 0.00 N ATOM 1262 CD2 HIS A 517 90.294 -5.856 17.739 1.00 0.00 C ATOM 1263 CE1 HIS A 517 88.196 -5.598 18.324 1.00 0.00 C ATOM 1264 NE2 HIS A 517 89.413 -5.113 18.486 1.00 0.00 N ATOM 0 H HIS A 517 92.006 -8.856 18.197 1.00 0.00 H new ATOM 0 HA HIS A 517 89.524 -9.814 17.034 1.00 0.00 H new ATOM 0 HB2 HIS A 517 90.840 -7.547 15.575 1.00 0.00 H new ATOM 0 HB3 HIS A 517 89.186 -8.119 15.484 1.00 0.00 H new ATOM 0 HD2 HIS A 517 91.360 -5.702 17.665 1.00 0.00 H new ATOM 0 HE1 HIS A 517 87.297 -5.217 18.786 1.00 0.00 H new ATOM 0 HE2 HIS A 517 89.659 -4.315 19.072 1.00 0.00 H new ATOM 1273 N CYS A 518 90.921 -11.042 15.387 1.00 0.00 N ATOM 1274 CA CYS A 518 91.768 -11.869 14.533 1.00 0.00 C ATOM 1275 C CYS A 518 92.305 -11.061 13.353 1.00 0.00 C ATOM 1276 O CYS A 518 91.565 -10.737 12.424 1.00 0.00 O ATOM 1277 CB CYS A 518 90.981 -13.079 14.024 1.00 0.00 C ATOM 1278 SG CYS A 518 90.032 -13.933 15.303 1.00 0.00 S ATOM 0 H CYS A 518 89.952 -11.354 15.450 1.00 0.00 H new ATOM 0 HA CYS A 518 92.614 -12.216 15.125 1.00 0.00 H new ATOM 0 HB2 CYS A 518 90.300 -12.752 13.239 1.00 0.00 H new ATOM 0 HB3 CYS A 518 91.675 -13.785 13.569 1.00 0.00 H new ATOM 0 HG CYS A 518 89.400 -14.939 14.775 1.00 0.00 H new ATOM 1284 N TRP A 519 93.596 -10.735 13.396 1.00 0.00 N ATOM 1285 CA TRP A 519 94.222 -9.962 12.328 1.00 0.00 C ATOM 1286 C TRP A 519 95.359 -10.728 11.676 1.00 0.00 C ATOM 1287 O TRP A 519 96.089 -11.470 12.333 1.00 0.00 O ATOM 1288 CB TRP A 519 94.736 -8.625 12.858 1.00 0.00 C ATOM 1289 CG TRP A 519 94.490 -7.504 11.904 1.00 0.00 C ATOM 1290 CD1 TRP A 519 93.876 -7.597 10.691 1.00 0.00 C ATOM 1291 CD2 TRP A 519 94.850 -6.130 12.070 1.00 0.00 C ATOM 1292 NE1 TRP A 519 93.820 -6.371 10.095 1.00 0.00 N ATOM 1293 CE2 TRP A 519 94.415 -5.446 10.918 1.00 0.00 C ATOM 1294 CE3 TRP A 519 95.495 -5.408 13.079 1.00 0.00 C ATOM 1295 CZ2 TRP A 519 94.605 -4.075 10.751 1.00 0.00 C ATOM 1296 CZ3 TRP A 519 95.683 -4.050 12.909 1.00 0.00 C ATOM 1297 CH2 TRP A 519 95.239 -3.395 11.754 1.00 0.00 C ATOM 0 H TRP A 519 94.225 -10.993 14.156 1.00 0.00 H new ATOM 0 HA TRP A 519 93.458 -9.777 11.573 1.00 0.00 H new ATOM 0 HB2 TRP A 519 94.251 -8.403 13.809 1.00 0.00 H new ATOM 0 HB3 TRP A 519 95.805 -8.702 13.056 1.00 0.00 H new ATOM 0 HD1 TRP A 519 93.489 -8.510 10.263 1.00 0.00 H new ATOM 0 HE1 TRP A 519 93.404 -6.173 9.185 1.00 0.00 H new ATOM 0 HE3 TRP A 519 95.840 -5.903 13.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 94.264 -3.568 9.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 96.182 -3.483 13.681 1.00 0.00 H new ATOM 0 HH2 TRP A 519 95.400 -2.332 11.653 1.00 0.00 H new ATOM 1308 N LYS A 520 95.493 -10.541 10.370 1.00 0.00 N ATOM 1309 CA LYS A 520 96.532 -11.212 9.601 1.00 0.00 C ATOM 1310 C LYS A 520 97.609 -10.234 9.142 1.00 0.00 C ATOM 1311 O LYS A 520 97.303 -9.155 8.635 1.00 0.00 O ATOM 1312 CB LYS A 520 95.905 -11.892 8.392 1.00 0.00 C ATOM 1313 CG LYS A 520 94.518 -12.449 8.665 1.00 0.00 C ATOM 1314 CD LYS A 520 94.560 -13.579 9.679 1.00 0.00 C ATOM 1315 CE LYS A 520 93.611 -13.320 10.838 1.00 0.00 C ATOM 1316 NZ LYS A 520 92.212 -13.707 10.506 1.00 0.00 N ATOM 0 H LYS A 520 94.892 -9.928 9.819 1.00 0.00 H new ATOM 0 HA LYS A 520 97.007 -11.954 10.243 1.00 0.00 H new ATOM 0 HB2 LYS A 520 95.846 -11.176 7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 520 96.555 -12.702 8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 520 93.871 -11.653 9.033 1.00 0.00 H new ATOM 0 HG3 LYS A 520 94.080 -12.810 7.734 1.00 0.00 H new ATOM 0 HD2 LYS A 520 94.294 -14.517 9.192 1.00 0.00 H new ATOM 0 HD3 LYS A 520 95.576 -13.693 10.057 1.00 0.00 H new ATOM 0 HE2 LYS A 520 93.945 -13.879 11.712 1.00 0.00 H new ATOM 0 HE3 LYS A 520 93.642 -12.263 11.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 520 91.596 -13.515 11.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 520 91.884 -13.156 9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 520 92.177 -14.721 10.277 1.00 0.00 H new ATOM 1330 N LEU A 521 98.868 -10.625 9.310 1.00 0.00 N ATOM 1331 CA LEU A 521 99.990 -9.788 8.899 1.00 0.00 C ATOM 1332 C LEU A 521 101.062 -10.626 8.204 1.00 0.00 C ATOM 1333 O LEU A 521 101.645 -11.527 8.809 1.00 0.00 O ATOM 1334 CB LEU A 521 100.585 -9.057 10.105 1.00 0.00 C ATOM 1335 CG LEU A 521 100.599 -7.530 9.993 1.00 0.00 C ATOM 1336 CD1 LEU A 521 101.461 -6.920 11.087 1.00 0.00 C ATOM 1337 CD2 LEU A 521 101.099 -7.101 8.623 1.00 0.00 C ATOM 0 H LEU A 521 99.137 -11.516 9.728 1.00 0.00 H new ATOM 0 HA LEU A 521 99.620 -9.046 8.191 1.00 0.00 H new ATOM 0 HB2 LEU A 521 100.021 -9.336 10.995 1.00 0.00 H new ATOM 0 HB3 LEU A 521 101.607 -9.405 10.254 1.00 0.00 H new ATOM 0 HG LEU A 521 99.578 -7.169 10.118 1.00 0.00 H new ATOM 0 HD11 LEU A 521 101.458 -5.834 10.990 1.00 0.00 H new ATOM 0 HD12 LEU A 521 101.062 -7.198 12.062 1.00 0.00 H new ATOM 0 HD13 LEU A 521 102.482 -7.290 10.994 1.00 0.00 H new ATOM 0 HD21 LEU A 521 101.102 -6.013 8.561 1.00 0.00 H new ATOM 0 HD22 LEU A 521 102.111 -7.476 8.471 1.00 0.00 H new ATOM 0 HD23 LEU A 521 100.443 -7.506 7.853 1.00 0.00 H new ATOM 1349 N GLU A 522 101.311 -10.329 6.931 1.00 0.00 N ATOM 1350 CA GLU A 522 102.307 -11.061 6.151 1.00 0.00 C ATOM 1351 C GLU A 522 103.117 -10.119 5.263 1.00 0.00 C ATOM 1352 O GLU A 522 102.587 -9.149 4.722 1.00 0.00 O ATOM 1353 CB GLU A 522 101.630 -12.129 5.288 1.00 0.00 C ATOM 1354 CG GLU A 522 102.093 -13.544 5.594 1.00 0.00 C ATOM 1355 CD GLU A 522 101.353 -14.158 6.766 1.00 0.00 C ATOM 1356 OE1 GLU A 522 100.779 -13.394 7.570 1.00 0.00 O ATOM 1357 OE2 GLU A 522 101.345 -15.402 6.878 1.00 0.00 O ATOM 0 H GLU A 522 100.837 -9.586 6.417 1.00 0.00 H new ATOM 0 HA GLU A 522 102.988 -11.543 6.853 1.00 0.00 H new ATOM 0 HB2 GLU A 522 100.551 -12.070 5.432 1.00 0.00 H new ATOM 0 HB3 GLU A 522 101.824 -11.912 4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 522 101.950 -14.168 4.712 1.00 0.00 H new ATOM 0 HG3 GLU A 522 103.162 -13.534 5.808 1.00 0.00 H new ATOM 1364 N ILE A 523 104.406 -10.418 5.114 1.00 0.00 N ATOM 1365 CA ILE A 523 105.295 -9.608 4.288 1.00 0.00 C ATOM 1366 C ILE A 523 105.400 -10.170 2.875 1.00 0.00 C ATOM 1367 O ILE A 523 105.816 -11.313 2.681 1.00 0.00 O ATOM 1368 CB ILE A 523 106.709 -9.525 4.891 1.00 0.00 C ATOM 1369 CG1 ILE A 523 106.678 -8.773 6.221 1.00 0.00 C ATOM 1370 CG2 ILE A 523 107.661 -8.846 3.916 1.00 0.00 C ATOM 1371 CD1 ILE A 523 107.371 -9.508 7.346 1.00 0.00 C ATOM 0 H ILE A 523 104.858 -11.218 5.557 1.00 0.00 H new ATOM 0 HA ILE A 523 104.861 -8.609 4.253 1.00 0.00 H new ATOM 0 HB ILE A 523 107.068 -10.537 5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 523 107.149 -7.799 6.090 1.00 0.00 H new ATOM 0 HG13 ILE A 523 105.641 -8.590 6.502 1.00 0.00 H new ATOM 0 HG21 ILE A 523 108.657 -8.794 4.356 1.00 0.00 H new ATOM 0 HG22 ILE A 523 107.703 -9.419 2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 523 107.306 -7.838 3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 523 107.310 -8.916 8.259 1.00 0.00 H new ATOM 0 HD12 ILE A 523 106.886 -10.471 7.505 1.00 0.00 H new ATOM 0 HD13 ILE A 523 108.417 -9.668 7.086 1.00 0.00 H new ATOM 1383 N LEU A 524 105.022 -9.362 1.888 1.00 0.00 N ATOM 1384 CA LEU A 524 105.080 -9.786 0.493 1.00 0.00 C ATOM 1385 C LEU A 524 106.511 -10.117 0.085 1.00 0.00 C ATOM 1386 O LEU A 524 107.456 -9.453 0.512 1.00 0.00 O ATOM 1387 CB LEU A 524 104.520 -8.696 -0.420 1.00 0.00 C ATOM 1388 CG LEU A 524 103.010 -8.759 -0.662 1.00 0.00 C ATOM 1389 CD1 LEU A 524 102.627 -10.072 -1.326 1.00 0.00 C ATOM 1390 CD2 LEU A 524 102.254 -8.577 0.644 1.00 0.00 C ATOM 0 H LEU A 524 104.674 -8.414 2.028 1.00 0.00 H new ATOM 0 HA LEU A 524 104.472 -10.685 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 524 104.762 -7.724 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 524 105.029 -8.754 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 524 102.735 -7.946 -1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 524 101.550 -10.097 -1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 524 103.141 -10.159 -2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 524 102.915 -10.903 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 524 101.182 -8.625 0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 524 102.534 -9.368 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 524 102.503 -7.608 1.077 1.00 0.00 H new ATOM 1402 N SER A 525 106.668 -11.158 -0.727 1.00 0.00 N ATOM 1403 CA SER A 525 107.987 -11.587 -1.175 1.00 0.00 C ATOM 1404 C SER A 525 107.945 -12.116 -2.604 1.00 0.00 C ATOM 1405 O SER A 525 106.883 -12.458 -3.123 1.00 0.00 O ATOM 1406 CB SER A 525 108.547 -12.656 -0.236 1.00 0.00 C ATOM 1407 OG SER A 525 108.998 -13.788 -0.959 1.00 0.00 O ATOM 0 H SER A 525 105.897 -11.720 -1.088 1.00 0.00 H new ATOM 0 HA SER A 525 108.643 -10.716 -1.156 1.00 0.00 H new ATOM 0 HB2 SER A 525 109.371 -12.239 0.343 1.00 0.00 H new ATOM 0 HB3 SER A 525 107.778 -12.958 0.475 1.00 0.00 H new ATOM 0 HG SER A 525 109.352 -14.455 -0.335 1.00 0.00 H new ATOM 1413 N GLY A 526 109.116 -12.181 -3.230 1.00 0.00 N ATOM 1414 CA GLY A 526 109.211 -12.675 -4.591 1.00 0.00 C ATOM 1415 C GLY A 526 108.265 -11.971 -5.540 1.00 0.00 C ATOM 1416 O GLY A 526 107.995 -10.778 -5.392 1.00 0.00 O ATOM 0 H GLY A 526 110.005 -11.899 -2.816 1.00 0.00 H new ATOM 0 HA2 GLY A 526 110.234 -12.551 -4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 526 108.998 -13.744 -4.600 1.00 0.00 H new ATOM 1420 N ASP A 527 107.764 -12.712 -6.521 1.00 0.00 N ATOM 1421 CA ASP A 527 106.847 -12.157 -7.505 1.00 0.00 C ATOM 1422 C ASP A 527 105.678 -11.454 -6.827 1.00 0.00 C ATOM 1423 O ASP A 527 105.113 -10.504 -7.370 1.00 0.00 O ATOM 1424 CB ASP A 527 106.327 -13.264 -8.425 1.00 0.00 C ATOM 1425 CG ASP A 527 107.448 -14.022 -9.108 1.00 0.00 C ATOM 1426 OD1 ASP A 527 107.151 -14.987 -9.844 1.00 0.00 O ATOM 1427 OD2 ASP A 527 108.624 -13.651 -8.908 1.00 0.00 O ATOM 0 H ASP A 527 107.979 -13.700 -6.655 1.00 0.00 H new ATOM 0 HA ASP A 527 107.391 -11.423 -8.099 1.00 0.00 H new ATOM 0 HB2 ASP A 527 105.722 -13.961 -7.845 1.00 0.00 H new ATOM 0 HB3 ASP A 527 105.674 -12.828 -9.181 1.00 0.00 H new ATOM 1432 N HIS A 528 105.312 -11.927 -5.638 1.00 0.00 N ATOM 1433 CA HIS A 528 104.205 -11.336 -4.899 1.00 0.00 C ATOM 1434 C HIS A 528 104.510 -9.891 -4.508 1.00 0.00 C ATOM 1435 O HIS A 528 103.681 -9.002 -4.698 1.00 0.00 O ATOM 1436 CB HIS A 528 103.908 -12.164 -3.648 1.00 0.00 C ATOM 1437 CG HIS A 528 102.492 -12.642 -3.567 1.00 0.00 C ATOM 1438 ND1 HIS A 528 102.014 -13.409 -2.526 1.00 0.00 N ATOM 1439 CD2 HIS A 528 101.446 -12.460 -4.408 1.00 0.00 C ATOM 1440 CE1 HIS A 528 100.737 -13.678 -2.729 1.00 0.00 C ATOM 1441 NE2 HIS A 528 100.368 -13.113 -3.862 1.00 0.00 N ATOM 0 H HIS A 528 105.764 -12.713 -5.170 1.00 0.00 H new ATOM 0 HA HIS A 528 103.329 -11.334 -5.547 1.00 0.00 H new ATOM 0 HB2 HIS A 528 104.575 -13.026 -3.626 1.00 0.00 H new ATOM 0 HB3 HIS A 528 104.132 -11.565 -2.765 1.00 0.00 H new ATOM 0 HD2 HIS A 528 101.457 -11.905 -5.335 1.00 0.00 H new ATOM 0 HE1 HIS A 528 100.103 -14.261 -2.078 1.00 0.00 H new ATOM 0 HE2 HIS A 528 99.433 -13.154 -4.267 1.00 0.00 H new ATOM 1450 N GLU A 529 105.705 -9.658 -3.966 1.00 0.00 N ATOM 1451 CA GLU A 529 106.104 -8.312 -3.560 1.00 0.00 C ATOM 1452 C GLU A 529 106.296 -7.407 -4.770 1.00 0.00 C ATOM 1453 O GLU A 529 105.816 -6.272 -4.797 1.00 0.00 O ATOM 1454 CB GLU A 529 107.393 -8.368 -2.734 1.00 0.00 C ATOM 1455 CG GLU A 529 108.165 -7.058 -2.715 1.00 0.00 C ATOM 1456 CD GLU A 529 109.089 -6.944 -1.519 1.00 0.00 C ATOM 1457 OE1 GLU A 529 108.583 -6.921 -0.377 1.00 0.00 O ATOM 1458 OE2 GLU A 529 110.320 -6.878 -1.723 1.00 0.00 O ATOM 0 H GLU A 529 106.408 -10.378 -3.799 1.00 0.00 H new ATOM 0 HA GLU A 529 105.305 -7.894 -2.947 1.00 0.00 H new ATOM 0 HB2 GLU A 529 107.146 -8.649 -1.710 1.00 0.00 H new ATOM 0 HB3 GLU A 529 108.036 -9.152 -3.133 1.00 0.00 H new ATOM 0 HG2 GLU A 529 108.750 -6.972 -3.631 1.00 0.00 H new ATOM 0 HG3 GLU A 529 107.461 -6.226 -2.707 1.00 0.00 H new ATOM 1465 N GLN A 530 106.994 -7.920 -5.774 1.00 0.00 N ATOM 1466 CA GLN A 530 107.244 -7.158 -6.992 1.00 0.00 C ATOM 1467 C GLN A 530 105.936 -6.851 -7.710 1.00 0.00 C ATOM 1468 O GLN A 530 105.745 -5.758 -8.241 1.00 0.00 O ATOM 1469 CB GLN A 530 108.189 -7.923 -7.922 1.00 0.00 C ATOM 1470 CG GLN A 530 107.499 -8.998 -8.745 1.00 0.00 C ATOM 1471 CD GLN A 530 106.709 -8.425 -9.906 1.00 0.00 C ATOM 1472 OE1 GLN A 530 107.081 -7.401 -10.480 1.00 0.00 O ATOM 1473 NE2 GLN A 530 105.610 -9.083 -10.255 1.00 0.00 N ATOM 0 H GLN A 530 107.396 -8.857 -5.770 1.00 0.00 H new ATOM 0 HA GLN A 530 107.717 -6.217 -6.713 1.00 0.00 H new ATOM 0 HB2 GLN A 530 108.672 -7.216 -8.596 1.00 0.00 H new ATOM 0 HB3 GLN A 530 108.977 -8.384 -7.326 1.00 0.00 H new ATOM 0 HG2 GLN A 530 108.246 -9.694 -9.127 1.00 0.00 H new ATOM 0 HG3 GLN A 530 106.830 -9.570 -8.102 1.00 0.00 H new ATOM 0 HE21 GLN A 530 105.340 -9.928 -9.751 1.00 0.00 H new ATOM 0 HE22 GLN A 530 105.036 -8.744 -11.027 1.00 0.00 H new ATOM 1482 N ARG A 531 105.038 -7.830 -7.719 1.00 0.00 N ATOM 1483 CA ARG A 531 103.740 -7.681 -8.369 1.00 0.00 C ATOM 1484 C ARG A 531 102.968 -6.502 -7.787 1.00 0.00 C ATOM 1485 O ARG A 531 102.568 -5.591 -8.512 1.00 0.00 O ATOM 1486 CB ARG A 531 102.921 -8.962 -8.213 1.00 0.00 C ATOM 1487 CG ARG A 531 101.470 -8.810 -8.638 1.00 0.00 C ATOM 1488 CD ARG A 531 100.573 -8.489 -7.454 1.00 0.00 C ATOM 1489 NE ARG A 531 99.158 -8.586 -7.799 1.00 0.00 N ATOM 1490 CZ ARG A 531 98.185 -8.678 -6.899 1.00 0.00 C ATOM 1491 NH1 ARG A 531 98.473 -8.675 -5.605 1.00 0.00 N ATOM 1492 NH2 ARG A 531 96.922 -8.771 -7.294 1.00 0.00 N ATOM 0 H ARG A 531 105.186 -8.739 -7.281 1.00 0.00 H new ATOM 0 HA ARG A 531 103.914 -7.491 -9.428 1.00 0.00 H new ATOM 0 HB2 ARG A 531 103.383 -9.753 -8.803 1.00 0.00 H new ATOM 0 HB3 ARG A 531 102.955 -9.281 -7.171 1.00 0.00 H new ATOM 0 HG2 ARG A 531 101.389 -8.018 -9.382 1.00 0.00 H new ATOM 0 HG3 ARG A 531 101.131 -9.730 -9.114 1.00 0.00 H new ATOM 0 HD2 ARG A 531 100.794 -9.173 -6.635 1.00 0.00 H new ATOM 0 HD3 ARG A 531 100.791 -7.483 -7.096 1.00 0.00 H new ATOM 0 HE ARG A 531 98.902 -8.583 -8.786 1.00 0.00 H new ATOM 0 HH11 ARG A 531 99.443 -8.602 -5.299 1.00 0.00 H new ATOM 0 HH12 ARG A 531 97.724 -8.746 -4.916 1.00 0.00 H new ATOM 0 HH21 ARG A 531 96.698 -8.772 -8.289 1.00 0.00 H new ATOM 0 HH22 ARG A 531 96.175 -8.842 -6.603 1.00 0.00 H new ATOM 1506 N TYR A 532 102.763 -6.523 -6.474 1.00 0.00 N ATOM 1507 CA TYR A 532 102.038 -5.453 -5.803 1.00 0.00 C ATOM 1508 C TYR A 532 102.651 -4.099 -6.142 1.00 0.00 C ATOM 1509 O TYR A 532 101.937 -3.130 -6.417 1.00 0.00 O ATOM 1510 CB TYR A 532 102.051 -5.672 -4.289 1.00 0.00 C ATOM 1511 CG TYR A 532 101.320 -4.599 -3.516 1.00 0.00 C ATOM 1512 CD1 TYR A 532 101.930 -3.381 -3.245 1.00 0.00 C ATOM 1513 CD2 TYR A 532 100.024 -4.801 -3.061 1.00 0.00 C ATOM 1514 CE1 TYR A 532 101.268 -2.395 -2.540 1.00 0.00 C ATOM 1515 CE2 TYR A 532 99.355 -3.819 -2.355 1.00 0.00 C ATOM 1516 CZ TYR A 532 99.982 -2.618 -2.098 1.00 0.00 C ATOM 1517 OH TYR A 532 99.320 -1.637 -1.396 1.00 0.00 O ATOM 0 H TYR A 532 103.088 -7.267 -5.856 1.00 0.00 H new ATOM 0 HA TYR A 532 101.005 -5.465 -6.151 1.00 0.00 H new ATOM 0 HB2 TYR A 532 101.600 -6.639 -4.066 1.00 0.00 H new ATOM 0 HB3 TYR A 532 103.085 -5.715 -3.945 1.00 0.00 H new ATOM 0 HD1 TYR A 532 102.937 -3.202 -3.591 1.00 0.00 H new ATOM 0 HD2 TYR A 532 99.531 -5.741 -3.262 1.00 0.00 H new ATOM 0 HE1 TYR A 532 101.756 -1.453 -2.336 1.00 0.00 H new ATOM 0 HE2 TYR A 532 98.347 -3.991 -2.007 1.00 0.00 H new ATOM 0 HH TYR A 532 98.363 -1.846 -1.366 1.00 0.00 H new ATOM 1527 N TRP A 533 103.977 -4.038 -6.135 1.00 0.00 N ATOM 1528 CA TRP A 533 104.674 -2.803 -6.454 1.00 0.00 C ATOM 1529 C TRP A 533 104.341 -2.360 -7.871 1.00 0.00 C ATOM 1530 O TRP A 533 104.136 -1.174 -8.129 1.00 0.00 O ATOM 1531 CB TRP A 533 106.182 -2.978 -6.285 1.00 0.00 C ATOM 1532 CG TRP A 533 106.643 -2.661 -4.900 1.00 0.00 C ATOM 1533 CD1 TRP A 533 107.144 -3.536 -3.982 1.00 0.00 C ATOM 1534 CD2 TRP A 533 106.632 -1.376 -4.269 1.00 0.00 C ATOM 1535 NE1 TRP A 533 107.444 -2.875 -2.817 1.00 0.00 N ATOM 1536 CE2 TRP A 533 107.140 -1.547 -2.968 1.00 0.00 C ATOM 1537 CE3 TRP A 533 106.243 -0.097 -4.677 1.00 0.00 C ATOM 1538 CZ2 TRP A 533 107.267 -0.488 -2.073 1.00 0.00 C ATOM 1539 CZ3 TRP A 533 106.371 0.953 -3.788 1.00 0.00 C ATOM 1540 CH2 TRP A 533 106.879 0.752 -2.499 1.00 0.00 C ATOM 0 H TRP A 533 104.586 -4.825 -5.913 1.00 0.00 H new ATOM 0 HA TRP A 533 104.342 -2.029 -5.762 1.00 0.00 H new ATOM 0 HB2 TRP A 533 106.455 -4.005 -6.529 1.00 0.00 H new ATOM 0 HB3 TRP A 533 106.701 -2.333 -6.994 1.00 0.00 H new ATOM 0 HD1 TRP A 533 107.284 -4.594 -4.147 1.00 0.00 H new ATOM 0 HE1 TRP A 533 107.830 -3.303 -1.975 1.00 0.00 H new ATOM 0 HE3 TRP A 533 105.849 0.068 -5.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 107.658 -0.641 -1.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 106.074 1.946 -4.093 1.00 0.00 H new ATOM 0 HH2 TRP A 533 106.966 1.593 -1.828 1.00 0.00 H new ATOM 1551 N GLN A 534 104.267 -3.323 -8.784 1.00 0.00 N ATOM 1552 CA GLN A 534 103.932 -3.024 -10.168 1.00 0.00 C ATOM 1553 C GLN A 534 102.646 -2.213 -10.213 1.00 0.00 C ATOM 1554 O GLN A 534 102.538 -1.233 -10.951 1.00 0.00 O ATOM 1555 CB GLN A 534 103.771 -4.316 -10.974 1.00 0.00 C ATOM 1556 CG GLN A 534 105.075 -5.064 -11.194 1.00 0.00 C ATOM 1557 CD GLN A 534 106.229 -4.140 -11.532 1.00 0.00 C ATOM 1558 OE1 GLN A 534 106.331 -3.641 -12.652 1.00 0.00 O ATOM 1559 NE2 GLN A 534 107.104 -3.906 -10.561 1.00 0.00 N ATOM 0 H GLN A 534 104.434 -4.311 -8.591 1.00 0.00 H new ATOM 0 HA GLN A 534 104.741 -2.444 -10.612 1.00 0.00 H new ATOM 0 HB2 GLN A 534 103.069 -4.971 -10.458 1.00 0.00 H new ATOM 0 HB3 GLN A 534 103.331 -4.077 -11.942 1.00 0.00 H new ATOM 0 HG2 GLN A 534 105.320 -5.631 -10.296 1.00 0.00 H new ATOM 0 HG3 GLN A 534 104.944 -5.785 -12.001 1.00 0.00 H new ATOM 0 HE21 GLN A 534 106.980 -4.341 -9.647 1.00 0.00 H new ATOM 0 HE22 GLN A 534 107.900 -3.291 -10.729 1.00 0.00 H new ATOM 1568 N LYS A 535 101.677 -2.626 -9.401 1.00 0.00 N ATOM 1569 CA LYS A 535 100.396 -1.938 -9.326 1.00 0.00 C ATOM 1570 C LYS A 535 100.596 -0.507 -8.834 1.00 0.00 C ATOM 1571 O LYS A 535 99.964 0.424 -9.332 1.00 0.00 O ATOM 1572 CB LYS A 535 99.440 -2.709 -8.401 1.00 0.00 C ATOM 1573 CG LYS A 535 98.560 -1.828 -7.525 1.00 0.00 C ATOM 1574 CD LYS A 535 99.311 -1.336 -6.299 1.00 0.00 C ATOM 1575 CE LYS A 535 98.627 -1.774 -5.014 1.00 0.00 C ATOM 1576 NZ LYS A 535 97.360 -1.031 -4.777 1.00 0.00 N ATOM 0 H LYS A 535 101.757 -3.435 -8.785 1.00 0.00 H new ATOM 0 HA LYS A 535 99.952 -1.896 -10.321 1.00 0.00 H new ATOM 0 HB2 LYS A 535 98.800 -3.347 -9.011 1.00 0.00 H new ATOM 0 HB3 LYS A 535 100.027 -3.366 -7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 535 98.207 -0.974 -8.104 1.00 0.00 H new ATOM 0 HG3 LYS A 535 97.679 -2.388 -7.213 1.00 0.00 H new ATOM 0 HD2 LYS A 535 100.331 -1.719 -6.318 1.00 0.00 H new ATOM 0 HD3 LYS A 535 99.378 -0.248 -6.324 1.00 0.00 H new ATOM 0 HE2 LYS A 535 98.418 -2.843 -5.061 1.00 0.00 H new ATOM 0 HE3 LYS A 535 99.302 -1.618 -4.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 96.925 -1.360 -3.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 97.562 -0.013 -4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 96.705 -1.200 -5.567 1.00 0.00 H new ATOM 1590 N ILE A 536 101.484 -0.337 -7.859 1.00 0.00 N ATOM 1591 CA ILE A 536 101.768 0.986 -7.312 1.00 0.00 C ATOM 1592 C ILE A 536 102.366 1.902 -8.378 1.00 0.00 C ATOM 1593 O ILE A 536 101.755 2.895 -8.778 1.00 0.00 O ATOM 1594 CB ILE A 536 102.741 0.912 -6.116 1.00 0.00 C ATOM 1595 CG1 ILE A 536 102.210 -0.046 -5.045 1.00 0.00 C ATOM 1596 CG2 ILE A 536 102.958 2.298 -5.530 1.00 0.00 C ATOM 1597 CD1 ILE A 536 103.115 -0.161 -3.835 1.00 0.00 C ATOM 0 H ILE A 536 102.017 -1.095 -7.433 1.00 0.00 H new ATOM 0 HA ILE A 536 100.817 1.394 -6.970 1.00 0.00 H new ATOM 0 HB ILE A 536 103.698 0.529 -6.471 1.00 0.00 H new ATOM 0 HG12 ILE A 536 101.226 0.293 -4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 536 102.078 -1.034 -5.486 1.00 0.00 H new ATOM 0 HG21 ILE A 536 103.646 2.233 -4.687 1.00 0.00 H new ATOM 0 HG22 ILE A 536 103.379 2.954 -6.292 1.00 0.00 H new ATOM 0 HG23 ILE A 536 102.005 2.703 -5.190 1.00 0.00 H new ATOM 0 HD11 ILE A 536 102.677 -0.855 -3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 536 104.093 -0.529 -4.146 1.00 0.00 H new ATOM 0 HD13 ILE A 536 103.227 0.818 -3.370 1.00 0.00 H new ATOM 1609 N LEU A 537 103.569 1.561 -8.831 1.00 0.00 N ATOM 1610 CA LEU A 537 104.265 2.347 -9.845 1.00 0.00 C ATOM 1611 C LEU A 537 103.418 2.510 -11.107 1.00 0.00 C ATOM 1612 O LEU A 537 103.122 3.630 -11.530 1.00 0.00 O ATOM 1613 CB LEU A 537 105.599 1.682 -10.197 1.00 0.00 C ATOM 1614 CG LEU A 537 106.757 2.007 -9.251 1.00 0.00 C ATOM 1615 CD1 LEU A 537 107.374 0.728 -8.701 1.00 0.00 C ATOM 1616 CD2 LEU A 537 107.810 2.840 -9.966 1.00 0.00 C ATOM 0 H LEU A 537 104.084 0.741 -8.510 1.00 0.00 H new ATOM 0 HA LEU A 537 104.448 3.339 -9.432 1.00 0.00 H new ATOM 0 HB2 LEU A 537 105.455 0.602 -10.213 1.00 0.00 H new ATOM 0 HB3 LEU A 537 105.881 1.981 -11.207 1.00 0.00 H new ATOM 0 HG LEU A 537 106.365 2.587 -8.415 1.00 0.00 H new ATOM 0 HD11 LEU A 537 108.196 0.980 -8.030 1.00 0.00 H new ATOM 0 HD12 LEU A 537 106.618 0.166 -8.153 1.00 0.00 H new ATOM 0 HD13 LEU A 537 107.751 0.122 -9.525 1.00 0.00 H new ATOM 0 HD21 LEU A 537 108.626 3.062 -9.279 1.00 0.00 H new ATOM 0 HD22 LEU A 537 108.196 2.283 -10.820 1.00 0.00 H new ATOM 0 HD23 LEU A 537 107.363 3.772 -10.312 1.00 0.00 H new ATOM 1628 N VAL A 538 103.040 1.388 -11.710 1.00 0.00 N ATOM 1629 CA VAL A 538 102.240 1.408 -12.928 1.00 0.00 C ATOM 1630 C VAL A 538 101.009 2.298 -12.778 1.00 0.00 C ATOM 1631 O VAL A 538 100.624 3.001 -13.713 1.00 0.00 O ATOM 1632 CB VAL A 538 101.786 -0.010 -13.325 1.00 0.00 C ATOM 1633 CG1 VAL A 538 100.882 0.042 -14.547 1.00 0.00 C ATOM 1634 CG2 VAL A 538 102.989 -0.904 -13.582 1.00 0.00 C ATOM 0 H VAL A 538 103.275 0.454 -11.375 1.00 0.00 H new ATOM 0 HA VAL A 538 102.880 1.814 -13.711 1.00 0.00 H new ATOM 0 HB VAL A 538 101.217 -0.434 -12.498 1.00 0.00 H new ATOM 0 HG11 VAL A 538 100.571 -0.968 -14.813 1.00 0.00 H new ATOM 0 HG12 VAL A 538 100.002 0.645 -14.323 1.00 0.00 H new ATOM 0 HG13 VAL A 538 101.424 0.486 -15.382 1.00 0.00 H new ATOM 0 HG21 VAL A 538 102.648 -1.901 -13.861 1.00 0.00 H new ATOM 0 HG22 VAL A 538 103.587 -0.485 -14.391 1.00 0.00 H new ATOM 0 HG23 VAL A 538 103.595 -0.967 -12.678 1.00 0.00 H new ATOM 1644 N ASP A 539 100.391 2.260 -11.602 1.00 0.00 N ATOM 1645 CA ASP A 539 99.202 3.066 -11.345 1.00 0.00 C ATOM 1646 C ASP A 539 99.527 4.554 -11.407 1.00 0.00 C ATOM 1647 O ASP A 539 98.739 5.352 -11.917 1.00 0.00 O ATOM 1648 CB ASP A 539 98.610 2.717 -9.978 1.00 0.00 C ATOM 1649 CG ASP A 539 97.332 3.481 -9.687 1.00 0.00 C ATOM 1650 OD1 ASP A 539 97.075 3.777 -8.502 1.00 0.00 O ATOM 1651 OD2 ASP A 539 96.589 3.781 -10.646 1.00 0.00 O ATOM 0 H ASP A 539 100.691 1.684 -10.816 1.00 0.00 H new ATOM 0 HA ASP A 539 98.468 2.842 -12.119 1.00 0.00 H new ATOM 0 HB2 ASP A 539 98.408 1.647 -9.936 1.00 0.00 H new ATOM 0 HB3 ASP A 539 99.344 2.933 -9.202 1.00 0.00 H new ATOM 1656 N ARG A 540 100.695 4.922 -10.890 1.00 0.00 N ATOM 1657 CA ARG A 540 101.120 6.316 -10.896 1.00 0.00 C ATOM 1658 C ARG A 540 101.262 6.828 -12.325 1.00 0.00 C ATOM 1659 O ARG A 540 100.865 7.950 -12.637 1.00 0.00 O ATOM 1660 CB ARG A 540 102.447 6.473 -10.151 1.00 0.00 C ATOM 1661 CG ARG A 540 102.458 5.818 -8.779 1.00 0.00 C ATOM 1662 CD ARG A 540 102.823 6.813 -7.690 1.00 0.00 C ATOM 1663 NE ARG A 540 102.051 6.598 -6.468 1.00 0.00 N ATOM 1664 CZ ARG A 540 100.755 6.877 -6.359 1.00 0.00 C ATOM 1665 NH1 ARG A 540 100.094 7.378 -7.392 1.00 0.00 N ATOM 1666 NH2 ARG A 540 100.121 6.653 -5.216 1.00 0.00 N ATOM 0 H ARG A 540 101.361 4.277 -10.464 1.00 0.00 H new ATOM 0 HA ARG A 540 100.358 6.906 -10.388 1.00 0.00 H new ATOM 0 HB2 ARG A 540 103.246 6.044 -10.755 1.00 0.00 H new ATOM 0 HB3 ARG A 540 102.667 7.535 -10.039 1.00 0.00 H new ATOM 0 HG2 ARG A 540 101.477 5.392 -8.570 1.00 0.00 H new ATOM 0 HG3 ARG A 540 103.171 4.994 -8.774 1.00 0.00 H new ATOM 0 HD2 ARG A 540 103.886 6.730 -7.466 1.00 0.00 H new ATOM 0 HD3 ARG A 540 102.652 7.826 -8.053 1.00 0.00 H new ATOM 0 HE ARG A 540 102.532 6.213 -5.655 1.00 0.00 H new ATOM 0 HH11 ARG A 540 100.579 7.550 -8.273 1.00 0.00 H new ATOM 0 HH12 ARG A 540 99.100 7.591 -7.307 1.00 0.00 H new ATOM 0 HH21 ARG A 540 100.627 6.266 -4.419 1.00 0.00 H new ATOM 0 HH22 ARG A 540 99.127 6.867 -5.134 1.00 0.00 H new ATOM 1680 N GLN A 541 101.827 5.991 -13.191 1.00 0.00 N ATOM 1681 CA GLN A 541 102.016 6.355 -14.590 1.00 0.00 C ATOM 1682 C GLN A 541 100.677 6.579 -15.286 1.00 0.00 C ATOM 1683 O GLN A 541 100.522 7.514 -16.072 1.00 0.00 O ATOM 1684 CB GLN A 541 102.808 5.268 -15.319 1.00 0.00 C ATOM 1685 CG GLN A 541 104.249 5.656 -15.608 1.00 0.00 C ATOM 1686 CD GLN A 541 104.886 6.418 -14.463 1.00 0.00 C ATOM 1687 OE1 GLN A 541 104.756 7.638 -14.367 1.00 0.00 O ATOM 1688 NE2 GLN A 541 105.581 5.702 -13.589 1.00 0.00 N ATOM 0 H GLN A 541 102.161 5.058 -12.948 1.00 0.00 H new ATOM 0 HA GLN A 541 102.578 7.289 -14.621 1.00 0.00 H new ATOM 0 HB2 GLN A 541 102.799 4.359 -14.718 1.00 0.00 H new ATOM 0 HB3 GLN A 541 102.308 5.034 -16.259 1.00 0.00 H new ATOM 0 HG2 GLN A 541 104.831 4.756 -15.810 1.00 0.00 H new ATOM 0 HG3 GLN A 541 104.283 6.267 -16.510 1.00 0.00 H new ATOM 0 HE21 GLN A 541 105.663 4.692 -13.707 1.00 0.00 H new ATOM 0 HE22 GLN A 541 106.034 6.161 -12.799 1.00 0.00 H new ATOM 1697 N ALA A 542 99.713 5.709 -14.997 1.00 0.00 N ATOM 1698 CA ALA A 542 98.389 5.804 -15.602 1.00 0.00 C ATOM 1699 C ALA A 542 97.695 7.107 -15.218 1.00 0.00 C ATOM 1700 O ALA A 542 96.986 7.703 -16.029 1.00 0.00 O ATOM 1701 CB ALA A 542 97.527 4.615 -15.210 1.00 0.00 C ATOM 0 H ALA A 542 99.825 4.930 -14.348 1.00 0.00 H new ATOM 0 HA ALA A 542 98.523 5.796 -16.684 1.00 0.00 H new ATOM 0 HB1 ALA A 542 96.545 4.709 -15.674 1.00 0.00 H new ATOM 0 HB2 ALA A 542 98.002 3.694 -15.549 1.00 0.00 H new ATOM 0 HB3 ALA A 542 97.415 4.588 -14.126 1.00 0.00 H new ATOM 1707 N LYS A 543 97.899 7.547 -13.981 1.00 0.00 N ATOM 1708 CA LYS A 543 97.287 8.781 -13.500 1.00 0.00 C ATOM 1709 C LYS A 543 97.695 9.969 -14.365 1.00 0.00 C ATOM 1710 O LYS A 543 97.076 11.032 -14.310 1.00 0.00 O ATOM 1711 CB LYS A 543 97.682 9.039 -12.046 1.00 0.00 C ATOM 1712 CG LYS A 543 96.561 8.772 -11.055 1.00 0.00 C ATOM 1713 CD LYS A 543 97.065 8.022 -9.832 1.00 0.00 C ATOM 1714 CE LYS A 543 96.438 6.642 -9.725 1.00 0.00 C ATOM 1715 NZ LYS A 543 96.281 6.211 -8.309 1.00 0.00 N ATOM 0 H LYS A 543 98.482 7.069 -13.294 1.00 0.00 H new ATOM 0 HA LYS A 543 96.205 8.664 -13.562 1.00 0.00 H new ATOM 0 HB2 LYS A 543 98.536 8.411 -11.793 1.00 0.00 H new ATOM 0 HB3 LYS A 543 98.006 10.075 -11.945 1.00 0.00 H new ATOM 0 HG2 LYS A 543 96.115 9.717 -10.745 1.00 0.00 H new ATOM 0 HG3 LYS A 543 95.775 8.193 -11.540 1.00 0.00 H new ATOM 0 HD2 LYS A 543 98.150 7.927 -9.884 1.00 0.00 H new ATOM 0 HD3 LYS A 543 96.838 8.596 -8.933 1.00 0.00 H new ATOM 0 HE2 LYS A 543 95.463 6.648 -10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 543 97.057 5.920 -10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 96.315 5.173 -8.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 97.051 6.612 -7.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 95.367 6.547 -7.943 1.00 0.00 H new ATOM 1729 N LEU A 544 98.744 9.785 -15.157 1.00 0.00 N ATOM 1730 CA LEU A 544 99.240 10.842 -16.030 1.00 0.00 C ATOM 1731 C LEU A 544 98.181 11.266 -17.044 1.00 0.00 C ATOM 1732 O LEU A 544 98.243 12.364 -17.595 1.00 0.00 O ATOM 1733 CB LEU A 544 100.501 10.376 -16.760 1.00 0.00 C ATOM 1734 CG LEU A 544 101.130 11.413 -17.692 1.00 0.00 C ATOM 1735 CD1 LEU A 544 100.380 11.471 -19.013 1.00 0.00 C ATOM 1736 CD2 LEU A 544 101.151 12.781 -17.029 1.00 0.00 C ATOM 0 H LEU A 544 99.269 8.912 -15.213 1.00 0.00 H new ATOM 0 HA LEU A 544 99.480 11.704 -15.408 1.00 0.00 H new ATOM 0 HB2 LEU A 544 101.243 10.079 -16.019 1.00 0.00 H new ATOM 0 HB3 LEU A 544 100.258 9.487 -17.342 1.00 0.00 H new ATOM 0 HG LEU A 544 102.158 11.113 -17.896 1.00 0.00 H new ATOM 0 HD11 LEU A 544 100.843 12.214 -19.662 1.00 0.00 H new ATOM 0 HD12 LEU A 544 100.417 10.494 -19.496 1.00 0.00 H new ATOM 0 HD13 LEU A 544 99.341 11.746 -18.830 1.00 0.00 H new ATOM 0 HD21 LEU A 544 101.602 13.507 -17.706 1.00 0.00 H new ATOM 0 HD22 LEU A 544 100.132 13.088 -16.795 1.00 0.00 H new ATOM 0 HD23 LEU A 544 101.735 12.731 -16.110 1.00 0.00 H new ATOM 1748 N ASN A 545 97.214 10.389 -17.289 1.00 0.00 N ATOM 1749 CA ASN A 545 96.149 10.680 -18.242 1.00 0.00 C ATOM 1750 C ASN A 545 94.777 10.373 -17.648 1.00 0.00 C ATOM 1751 O ASN A 545 94.643 10.170 -16.441 1.00 0.00 O ATOM 1752 CB ASN A 545 96.354 9.874 -19.526 1.00 0.00 C ATOM 1753 CG ASN A 545 96.426 10.756 -20.756 1.00 0.00 C ATOM 1754 OD1 ASN A 545 95.521 10.753 -21.590 1.00 0.00 O ATOM 1755 ND2 ASN A 545 97.506 11.520 -20.877 1.00 0.00 N ATOM 0 H ASN A 545 97.145 9.474 -16.843 1.00 0.00 H new ATOM 0 HA ASN A 545 96.189 11.744 -18.475 1.00 0.00 H new ATOM 0 HB2 ASN A 545 97.273 9.293 -19.444 1.00 0.00 H new ATOM 0 HB3 ASN A 545 95.536 9.163 -19.640 1.00 0.00 H new ATOM 0 HD21 ASN A 545 97.608 12.135 -21.685 1.00 0.00 H new ATOM 0 HD22 ASN A 545 98.233 11.492 -20.162 1.00 0.00 H new ATOM 1762 N GLN A 546 93.761 10.344 -18.505 1.00 0.00 N ATOM 1763 CA GLN A 546 92.398 10.063 -18.073 1.00 0.00 C ATOM 1764 C GLN A 546 91.850 11.197 -17.211 1.00 0.00 C ATOM 1765 O GLN A 546 91.382 10.971 -16.095 1.00 0.00 O ATOM 1766 CB GLN A 546 92.351 8.746 -17.299 1.00 0.00 C ATOM 1767 CG GLN A 546 92.699 7.531 -18.143 1.00 0.00 C ATOM 1768 CD GLN A 546 91.792 6.348 -17.869 1.00 0.00 C ATOM 1769 OE1 GLN A 546 91.015 6.354 -16.913 1.00 0.00 O ATOM 1770 NE2 GLN A 546 91.888 5.323 -18.708 1.00 0.00 N ATOM 0 H GLN A 546 93.858 10.513 -19.506 1.00 0.00 H new ATOM 0 HA GLN A 546 91.772 9.978 -18.962 1.00 0.00 H new ATOM 0 HB2 GLN A 546 93.042 8.804 -16.458 1.00 0.00 H new ATOM 0 HB3 GLN A 546 91.352 8.615 -16.882 1.00 0.00 H new ATOM 0 HG2 GLN A 546 92.634 7.796 -19.198 1.00 0.00 H new ATOM 0 HG3 GLN A 546 93.732 7.243 -17.950 1.00 0.00 H new ATOM 0 HE21 GLN A 546 92.546 5.361 -19.487 1.00 0.00 H new ATOM 0 HE22 GLN A 546 91.304 4.498 -18.574 1.00 0.00 H new ATOM 1779 N PRO A 547 91.904 12.435 -17.725 1.00 0.00 N ATOM 1780 CA PRO A 547 91.412 13.614 -17.008 1.00 0.00 C ATOM 1781 C PRO A 547 89.892 13.741 -17.070 1.00 0.00 C ATOM 1782 O PRO A 547 89.344 14.257 -18.043 1.00 0.00 O ATOM 1783 CB PRO A 547 92.076 14.768 -17.757 1.00 0.00 C ATOM 1784 CG PRO A 547 92.224 14.270 -19.154 1.00 0.00 C ATOM 1785 CD PRO A 547 92.449 12.782 -19.050 1.00 0.00 C ATOM 0 HA PRO A 547 91.647 13.579 -15.944 1.00 0.00 H new ATOM 0 HB2 PRO A 547 91.464 15.670 -17.720 1.00 0.00 H new ATOM 0 HB3 PRO A 547 93.043 15.020 -17.321 1.00 0.00 H new ATOM 0 HG2 PRO A 547 91.332 14.488 -19.741 1.00 0.00 H new ATOM 0 HG3 PRO A 547 93.062 14.756 -19.654 1.00 0.00 H new ATOM 0 HD2 PRO A 547 91.936 12.243 -19.847 1.00 0.00 H new ATOM 0 HD3 PRO A 547 93.507 12.531 -19.125 1.00 0.00 H new ATOM 1793 N ARG A 548 89.219 13.265 -16.028 1.00 0.00 N ATOM 1794 CA ARG A 548 87.762 13.324 -15.969 1.00 0.00 C ATOM 1795 C ARG A 548 87.289 13.901 -14.639 1.00 0.00 C ATOM 1796 O ARG A 548 86.274 13.473 -14.090 1.00 0.00 O ATOM 1797 CB ARG A 548 87.168 11.930 -16.171 1.00 0.00 C ATOM 1798 CG ARG A 548 85.826 11.942 -16.880 1.00 0.00 C ATOM 1799 CD ARG A 548 84.819 11.040 -16.183 1.00 0.00 C ATOM 1800 NE ARG A 548 84.395 9.931 -17.034 1.00 0.00 N ATOM 1801 CZ ARG A 548 83.455 9.057 -16.688 1.00 0.00 C ATOM 1802 NH1 ARG A 548 82.834 9.176 -15.523 1.00 0.00 N ATOM 1803 NH2 ARG A 548 83.134 8.066 -17.508 1.00 0.00 N ATOM 0 H ARG A 548 89.658 12.835 -15.214 1.00 0.00 H new ATOM 0 HA ARG A 548 87.419 13.980 -16.769 1.00 0.00 H new ATOM 0 HB2 ARG A 548 87.869 11.325 -16.746 1.00 0.00 H new ATOM 0 HB3 ARG A 548 87.053 11.448 -15.200 1.00 0.00 H new ATOM 0 HG2 ARG A 548 85.441 12.961 -16.914 1.00 0.00 H new ATOM 0 HG3 ARG A 548 85.956 11.615 -17.912 1.00 0.00 H new ATOM 0 HD2 ARG A 548 85.259 10.646 -15.267 1.00 0.00 H new ATOM 0 HD3 ARG A 548 83.948 11.627 -15.892 1.00 0.00 H new ATOM 0 HE ARG A 548 84.845 9.821 -17.943 1.00 0.00 H new ATOM 0 HH11 ARG A 548 83.077 9.939 -14.891 1.00 0.00 H new ATOM 0 HH12 ARG A 548 82.113 8.505 -15.259 1.00 0.00 H new ATOM 0 HH21 ARG A 548 83.609 7.973 -18.406 1.00 0.00 H new ATOM 0 HH22 ARG A 548 82.413 7.396 -17.241 1.00 0.00 H new ATOM 1817 N GLU A 549 88.031 14.876 -14.125 1.00 0.00 N ATOM 1818 CA GLU A 549 87.685 15.511 -12.858 1.00 0.00 C ATOM 1819 C GLU A 549 87.388 16.994 -13.058 1.00 0.00 C ATOM 1820 O GLU A 549 88.261 17.842 -12.875 1.00 0.00 O ATOM 1821 CB GLU A 549 88.821 15.334 -11.851 1.00 0.00 C ATOM 1822 CG GLU A 549 89.540 13.999 -11.976 1.00 0.00 C ATOM 1823 CD GLU A 549 90.419 13.695 -10.778 1.00 0.00 C ATOM 1824 OE1 GLU A 549 91.604 13.358 -10.983 1.00 0.00 O ATOM 1825 OE2 GLU A 549 89.922 13.796 -9.637 1.00 0.00 O ATOM 0 H GLU A 549 88.875 15.243 -14.565 1.00 0.00 H new ATOM 0 HA GLU A 549 86.788 15.030 -12.469 1.00 0.00 H new ATOM 0 HB2 GLU A 549 89.543 16.140 -11.984 1.00 0.00 H new ATOM 0 HB3 GLU A 549 88.420 15.428 -10.842 1.00 0.00 H new ATOM 0 HG2 GLU A 549 88.804 13.204 -12.093 1.00 0.00 H new ATOM 0 HG3 GLU A 549 90.151 14.003 -12.879 1.00 0.00 H new ATOM 1832 N LYS A 550 86.150 17.300 -13.433 1.00 0.00 N ATOM 1833 CA LYS A 550 85.737 18.681 -13.659 1.00 0.00 C ATOM 1834 C LYS A 550 85.689 19.454 -12.345 1.00 0.00 C ATOM 1835 O LYS A 550 84.962 19.087 -11.422 1.00 0.00 O ATOM 1836 CB LYS A 550 84.368 18.721 -14.341 1.00 0.00 C ATOM 1837 CG LYS A 550 84.322 19.624 -15.564 1.00 0.00 C ATOM 1838 CD LYS A 550 83.071 19.376 -16.391 1.00 0.00 C ATOM 1839 CE LYS A 550 83.097 20.163 -17.691 1.00 0.00 C ATOM 1840 NZ LYS A 550 82.522 21.527 -17.524 1.00 0.00 N ATOM 0 H LYS A 550 85.415 16.610 -13.587 1.00 0.00 H new ATOM 0 HA LYS A 550 86.472 19.153 -14.311 1.00 0.00 H new ATOM 0 HB2 LYS A 550 84.089 17.709 -14.636 1.00 0.00 H new ATOM 0 HB3 LYS A 550 83.623 19.060 -13.621 1.00 0.00 H new ATOM 0 HG2 LYS A 550 84.351 20.667 -15.249 1.00 0.00 H new ATOM 0 HG3 LYS A 550 85.206 19.452 -16.178 1.00 0.00 H new ATOM 0 HD2 LYS A 550 82.984 18.312 -16.610 1.00 0.00 H new ATOM 0 HD3 LYS A 550 82.190 19.655 -15.813 1.00 0.00 H new ATOM 0 HE2 LYS A 550 84.124 20.243 -18.047 1.00 0.00 H new ATOM 0 HE3 LYS A 550 82.536 19.623 -18.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 82.558 22.032 -18.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 81.534 21.451 -17.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 83.073 22.051 -16.814 1.00 0.00 H new ATOM 1854 N LYS A 551 86.471 20.527 -12.269 1.00 0.00 N ATOM 1855 CA LYS A 551 86.522 21.354 -11.068 1.00 0.00 C ATOM 1856 C LYS A 551 85.336 22.312 -11.013 1.00 0.00 C ATOM 1857 O LYS A 551 85.510 23.531 -11.061 1.00 0.00 O ATOM 1858 CB LYS A 551 87.831 22.144 -11.024 1.00 0.00 C ATOM 1859 CG LYS A 551 88.949 21.523 -11.846 1.00 0.00 C ATOM 1860 CD LYS A 551 90.314 21.951 -11.336 1.00 0.00 C ATOM 1861 CE LYS A 551 90.984 20.844 -10.540 1.00 0.00 C ATOM 1862 NZ LYS A 551 92.427 21.125 -10.303 1.00 0.00 N ATOM 0 H LYS A 551 87.078 20.844 -13.025 1.00 0.00 H new ATOM 0 HA LYS A 551 86.472 20.694 -10.202 1.00 0.00 H new ATOM 0 HB2 LYS A 551 87.646 23.156 -11.384 1.00 0.00 H new ATOM 0 HB3 LYS A 551 88.159 22.230 -9.988 1.00 0.00 H new ATOM 0 HG2 LYS A 551 88.869 20.437 -11.810 1.00 0.00 H new ATOM 0 HG3 LYS A 551 88.841 21.816 -12.890 1.00 0.00 H new ATOM 0 HD2 LYS A 551 90.947 22.229 -12.178 1.00 0.00 H new ATOM 0 HD3 LYS A 551 90.208 22.837 -10.710 1.00 0.00 H new ATOM 0 HE2 LYS A 551 90.475 20.726 -9.583 1.00 0.00 H new ATOM 0 HE3 LYS A 551 90.881 19.899 -11.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 551 92.847 20.346 -9.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 551 92.918 21.212 -11.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 551 92.525 22.013 -9.771 1.00 0.00 H new ATOM 1876 N ARG A 552 84.133 21.758 -10.913 1.00 0.00 N ATOM 1877 CA ARG A 552 82.922 22.568 -10.851 1.00 0.00 C ATOM 1878 C ARG A 552 81.797 21.814 -10.146 1.00 0.00 C ATOM 1879 O ARG A 552 81.188 20.910 -10.719 1.00 0.00 O ATOM 1880 CB ARG A 552 82.479 22.968 -12.260 1.00 0.00 C ATOM 1881 CG ARG A 552 82.606 24.458 -12.540 1.00 0.00 C ATOM 1882 CD ARG A 552 81.549 25.259 -11.794 1.00 0.00 C ATOM 1883 NE ARG A 552 81.698 26.695 -12.008 1.00 0.00 N ATOM 1884 CZ ARG A 552 81.295 27.324 -13.109 1.00 0.00 C ATOM 1885 NH1 ARG A 552 80.719 26.644 -14.091 1.00 0.00 N ATOM 1886 NH2 ARG A 552 81.469 28.634 -13.228 1.00 0.00 N ATOM 0 H ARG A 552 83.970 20.752 -10.873 1.00 0.00 H new ATOM 0 HA ARG A 552 83.146 23.468 -10.278 1.00 0.00 H new ATOM 0 HB2 ARG A 552 83.075 22.418 -12.989 1.00 0.00 H new ATOM 0 HB3 ARG A 552 81.441 22.667 -12.404 1.00 0.00 H new ATOM 0 HG2 ARG A 552 83.598 24.801 -12.246 1.00 0.00 H new ATOM 0 HG3 ARG A 552 82.511 24.637 -13.611 1.00 0.00 H new ATOM 0 HD2 ARG A 552 80.558 24.945 -12.122 1.00 0.00 H new ATOM 0 HD3 ARG A 552 81.616 25.043 -10.728 1.00 0.00 H new ATOM 0 HE ARG A 552 82.136 27.248 -11.271 1.00 0.00 H new ATOM 0 HH11 ARG A 552 80.584 25.637 -14.003 1.00 0.00 H new ATOM 0 HH12 ARG A 552 80.411 27.128 -14.934 1.00 0.00 H new ATOM 0 HH21 ARG A 552 81.912 29.160 -12.475 1.00 0.00 H new ATOM 0 HH22 ARG A 552 81.160 29.115 -14.073 1.00 0.00 H new ATOM 1900 N GLY A 553 81.528 22.192 -8.901 1.00 0.00 N ATOM 1901 CA GLY A 553 80.477 21.541 -8.140 1.00 0.00 C ATOM 1902 C GLY A 553 80.379 22.056 -6.717 1.00 0.00 C ATOM 1903 O GLY A 553 80.220 21.276 -5.778 1.00 0.00 O ATOM 0 H GLY A 553 82.018 22.937 -8.405 1.00 0.00 H new ATOM 0 HA2 GLY A 553 79.522 21.693 -8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 553 80.660 20.467 -8.121 1.00 0.00 H new ATOM 1907 N THR A 554 80.474 23.372 -6.556 1.00 0.00 N ATOM 1908 CA THR A 554 80.393 23.989 -5.236 1.00 0.00 C ATOM 1909 C THR A 554 78.944 24.093 -4.770 1.00 0.00 C ATOM 1910 O THR A 554 78.645 23.896 -3.592 1.00 0.00 O ATOM 1911 CB THR A 554 81.023 25.394 -5.232 1.00 0.00 C ATOM 1912 OG1 THR A 554 80.854 26.038 -3.963 1.00 0.00 O ATOM 1913 CG2 THR A 554 80.399 26.271 -6.306 1.00 0.00 C ATOM 0 H THR A 554 80.607 24.032 -7.322 1.00 0.00 H new ATOM 0 HA THR A 554 80.950 23.349 -4.552 1.00 0.00 H new ATOM 0 HB THR A 554 82.087 25.265 -5.432 1.00 0.00 H new ATOM 0 HG1 THR A 554 81.265 26.927 -3.990 1.00 0.00 H new ATOM 0 HG21 THR A 554 80.861 27.258 -6.283 1.00 0.00 H new ATOM 0 HG22 THR A 554 80.559 25.818 -7.284 1.00 0.00 H new ATOM 0 HG23 THR A 554 79.329 26.366 -6.121 1.00 0.00 H new ATOM 1921 N GLU A 555 78.050 24.403 -5.703 1.00 0.00 N ATOM 1922 CA GLU A 555 76.631 24.532 -5.392 1.00 0.00 C ATOM 1923 C GLU A 555 75.824 24.813 -6.655 1.00 0.00 C ATOM 1924 O GLU A 555 75.409 25.946 -6.898 1.00 0.00 O ATOM 1925 CB GLU A 555 76.410 25.652 -4.372 1.00 0.00 C ATOM 1926 CG GLU A 555 75.177 25.450 -3.506 1.00 0.00 C ATOM 1927 CD GLU A 555 74.785 26.705 -2.750 1.00 0.00 C ATOM 1928 OE1 GLU A 555 74.946 26.726 -1.512 1.00 0.00 O ATOM 1929 OE2 GLU A 555 74.317 27.665 -3.397 1.00 0.00 O ATOM 0 H GLU A 555 78.283 24.570 -6.682 1.00 0.00 H new ATOM 0 HA GLU A 555 76.290 23.589 -4.964 1.00 0.00 H new ATOM 0 HB2 GLU A 555 77.287 25.725 -3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 555 76.321 26.601 -4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 555 74.344 25.133 -4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 555 75.364 24.645 -2.795 1.00 0.00 H new ATOM 1936 N LYS A 556 75.609 23.777 -7.458 1.00 0.00 N ATOM 1937 CA LYS A 556 74.855 23.916 -8.699 1.00 0.00 C ATOM 1938 C LYS A 556 73.369 24.120 -8.417 1.00 0.00 C ATOM 1939 O LYS A 556 72.528 23.353 -8.887 1.00 0.00 O ATOM 1940 CB LYS A 556 75.055 22.684 -9.584 1.00 0.00 C ATOM 1941 CG LYS A 556 74.689 22.916 -11.041 1.00 0.00 C ATOM 1942 CD LYS A 556 74.385 21.608 -11.756 1.00 0.00 C ATOM 1943 CE LYS A 556 74.497 21.758 -13.265 1.00 0.00 C ATOM 1944 NZ LYS A 556 73.161 21.787 -13.921 1.00 0.00 N ATOM 0 H LYS A 556 75.946 22.832 -7.272 1.00 0.00 H new ATOM 0 HA LYS A 556 75.229 24.795 -9.223 1.00 0.00 H new ATOM 0 HB2 LYS A 556 76.097 22.370 -9.525 1.00 0.00 H new ATOM 0 HB3 LYS A 556 74.453 21.864 -9.193 1.00 0.00 H new ATOM 0 HG2 LYS A 556 73.821 23.573 -11.099 1.00 0.00 H new ATOM 0 HG3 LYS A 556 75.509 23.426 -11.546 1.00 0.00 H new ATOM 0 HD2 LYS A 556 75.075 20.836 -11.414 1.00 0.00 H new ATOM 0 HD3 LYS A 556 73.380 21.275 -11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 556 75.036 22.676 -13.499 1.00 0.00 H new ATOM 0 HE3 LYS A 556 75.082 20.932 -13.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 556 73.281 21.890 -14.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 556 72.656 20.901 -13.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 556 72.612 22.590 -13.554 1.00 0.00 H new ATOM 1958 N LEU A 557 73.055 25.159 -7.650 1.00 0.00 N ATOM 1959 CA LEU A 557 71.671 25.466 -7.308 1.00 0.00 C ATOM 1960 C LEU A 557 71.011 24.293 -6.591 1.00 0.00 C ATOM 1961 O LEU A 557 71.539 23.181 -6.582 1.00 0.00 O ATOM 1962 CB LEU A 557 70.878 25.813 -8.570 1.00 0.00 C ATOM 1963 CG LEU A 557 71.341 27.075 -9.301 1.00 0.00 C ATOM 1964 CD1 LEU A 557 71.341 26.851 -10.807 1.00 0.00 C ATOM 1965 CD2 LEU A 557 70.454 28.256 -8.937 1.00 0.00 C ATOM 0 H LEU A 557 73.740 25.802 -7.254 1.00 0.00 H new ATOM 0 HA LEU A 557 71.673 26.325 -6.636 1.00 0.00 H new ATOM 0 HB2 LEU A 557 70.935 24.971 -9.260 1.00 0.00 H new ATOM 0 HB3 LEU A 557 69.829 25.933 -8.300 1.00 0.00 H new ATOM 0 HG LEU A 557 72.360 27.300 -8.988 1.00 0.00 H new ATOM 0 HD11 LEU A 557 71.673 27.759 -11.310 1.00 0.00 H new ATOM 0 HD12 LEU A 557 72.017 26.032 -11.053 1.00 0.00 H new ATOM 0 HD13 LEU A 557 70.333 26.601 -11.138 1.00 0.00 H new ATOM 0 HD21 LEU A 557 70.797 29.145 -9.466 1.00 0.00 H new ATOM 0 HD22 LEU A 557 69.424 28.039 -9.222 1.00 0.00 H new ATOM 0 HD23 LEU A 557 70.504 28.431 -7.862 1.00 0.00 H new ATOM 1977 N ILE A 558 69.852 24.549 -5.993 1.00 0.00 N ATOM 1978 CA ILE A 558 69.116 23.515 -5.276 1.00 0.00 C ATOM 1979 C ILE A 558 67.764 23.253 -5.929 1.00 0.00 C ATOM 1980 O ILE A 558 66.793 23.965 -5.675 1.00 0.00 O ATOM 1981 CB ILE A 558 68.889 23.900 -3.801 1.00 0.00 C ATOM 1982 CG1 ILE A 558 70.223 23.988 -3.060 1.00 0.00 C ATOM 1983 CG2 ILE A 558 67.966 22.894 -3.130 1.00 0.00 C ATOM 1984 CD1 ILE A 558 70.376 25.252 -2.242 1.00 0.00 C ATOM 0 H ILE A 558 69.402 25.465 -5.991 1.00 0.00 H new ATOM 0 HA ILE A 558 69.724 22.611 -5.318 1.00 0.00 H new ATOM 0 HB ILE A 558 68.414 24.881 -3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 558 70.322 23.125 -2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 558 71.036 23.932 -3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 558 67.814 23.178 -2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 558 67.006 22.880 -3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 558 68.416 21.902 -3.174 1.00 0.00 H new ATOM 0 HD11 ILE A 558 71.345 25.248 -1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 558 70.309 26.120 -2.898 1.00 0.00 H new ATOM 0 HD13 ILE A 558 69.584 25.300 -1.495 1.00 0.00 H new ATOM 1996 N THR A 559 67.708 22.227 -6.772 1.00 0.00 N ATOM 1997 CA THR A 559 66.473 21.875 -7.462 1.00 0.00 C ATOM 1998 C THR A 559 66.145 20.397 -7.282 1.00 0.00 C ATOM 1999 O THR A 559 67.033 19.578 -7.044 1.00 0.00 O ATOM 2000 CB THR A 559 66.563 22.188 -8.967 1.00 0.00 C ATOM 2001 OG1 THR A 559 65.373 21.786 -9.657 1.00 0.00 O ATOM 2002 CG2 THR A 559 67.751 21.477 -9.597 1.00 0.00 C ATOM 0 H THR A 559 68.502 21.626 -6.993 1.00 0.00 H new ATOM 0 HA THR A 559 65.680 22.478 -7.019 1.00 0.00 H new ATOM 0 HB THR A 559 66.685 23.267 -9.060 1.00 0.00 H new ATOM 0 HG1 THR A 559 65.459 21.999 -10.610 1.00 0.00 H new ATOM 0 HG21 THR A 559 67.794 21.713 -10.660 1.00 0.00 H new ATOM 0 HG22 THR A 559 68.671 21.808 -9.114 1.00 0.00 H new ATOM 0 HG23 THR A 559 67.641 20.400 -9.469 1.00 0.00 H new ATOM 2010 N LYS A 560 64.866 20.062 -7.399 1.00 0.00 N ATOM 2011 CA LYS A 560 64.422 18.681 -7.250 1.00 0.00 C ATOM 2012 C LYS A 560 65.138 17.770 -8.242 1.00 0.00 C ATOM 2013 O LYS A 560 65.046 17.961 -9.454 1.00 0.00 O ATOM 2014 CB LYS A 560 62.908 18.588 -7.448 1.00 0.00 C ATOM 2015 CG LYS A 560 62.129 19.617 -6.646 1.00 0.00 C ATOM 2016 CD LYS A 560 60.650 19.270 -6.581 1.00 0.00 C ATOM 2017 CE LYS A 560 60.407 18.002 -5.778 1.00 0.00 C ATOM 2018 NZ LYS A 560 61.284 17.926 -4.577 1.00 0.00 N ATOM 0 H LYS A 560 64.118 20.727 -7.596 1.00 0.00 H new ATOM 0 HA LYS A 560 64.669 18.350 -6.241 1.00 0.00 H new ATOM 0 HB2 LYS A 560 62.679 18.714 -8.506 1.00 0.00 H new ATOM 0 HB3 LYS A 560 62.573 17.590 -7.166 1.00 0.00 H new ATOM 0 HG2 LYS A 560 62.535 19.676 -5.636 1.00 0.00 H new ATOM 0 HG3 LYS A 560 62.253 20.601 -7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 560 60.101 20.097 -6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 560 60.261 19.142 -7.591 1.00 0.00 H new ATOM 0 HE2 LYS A 560 59.363 17.964 -5.467 1.00 0.00 H new ATOM 0 HE3 LYS A 560 60.583 17.132 -6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 60.933 17.185 -3.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 62.256 17.699 -4.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 61.277 18.841 -4.083 1.00 0.00 H new ATOM 2032 N ALA A 561 65.851 16.780 -7.717 1.00 0.00 N ATOM 2033 CA ALA A 561 66.585 15.838 -8.553 1.00 0.00 C ATOM 2034 C ALA A 561 66.191 14.402 -8.231 1.00 0.00 C ATOM 2035 O ALA A 561 66.494 13.944 -7.108 1.00 0.00 O ATOM 2036 CB ALA A 561 68.086 16.019 -8.387 1.00 0.00 C ATOM 2037 OXT ALA A 561 65.582 13.745 -9.102 1.00 0.00 O ATOM 0 H ALA A 561 65.936 16.609 -6.715 1.00 0.00 H new ATOM 0 HA ALA A 561 66.324 16.044 -9.591 1.00 0.00 H new ATOM 0 HB1 ALA A 561 68.611 15.305 -9.021 1.00 0.00 H new ATOM 0 HB2 ALA A 561 68.364 17.033 -8.675 1.00 0.00 H new ATOM 0 HB3 ALA A 561 68.360 15.850 -7.346 1.00 0.00 H new TER 2043 ALA A 561