USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=24 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 532 TYR OH : rot 130:sc= -1.93! USER MOD Set 1.2: A 535 LYS NZ :NH3+ 166:sc=-0.00767 (180deg=-0.198) USER MOD Set 2.1: A 437 MET CE :methyl -167:sc= -0.0331 (180deg=-0.403) USER MOD Set 2.2: A 530 GLN : amide:sc= -4.44! C(o=-4.5!,f=-11!) USER MOD Single : A 438 HIS : no HD1:sc= -0.928 X(o=-0.93,f=-0.88) USER MOD Single : A 439 HIS : no HD1:sc= -0.169 X(o=-0.17,f=-0.0048) USER MOD Single : A 440 HIS : no HD1:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 441 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-0.3) USER MOD Single : A 442 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 443 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.24) USER MOD Single : A 444 SER OG : rot 180:sc= 0 USER MOD Single : A 445 ASN : amide:sc= 0.00152 X(o=0.0015,f=0) USER MOD Single : A 447 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 450 GLN : amide:sc= -3.35! C(o=-3.3!,f=-3.6!) USER MOD Single : A 453 SER OG : rot -167:sc= 0.466 USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 SER OG : rot 140:sc= -4.26! USER MOD Single : A 462 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.0046) USER MOD Single : A 474 THR OG1 : rot 45:sc= -2.49! USER MOD Single : A 479 SER OG : rot -35:sc= 0.0741 USER MOD Single : A 483 TYR OH : rot 180:sc= 0 USER MOD Single : A 491 THR OG1 : rot 180:sc= 0 USER MOD Single : A 493 CYS SG : rot -140:sc= -4.61! USER MOD Single : A 494 HIS : no HD1:sc= -2.33 K(o=-2.3,f=-4.4) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 499 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 504 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 508 ASN : amide:sc= -2 K(o=-2,f=-1.2) USER MOD Single : A 510 TYR OH : rot 73:sc= 1.42 USER MOD Single : A 511 THR OG1 : rot 180:sc= 0 USER MOD Single : A 514 ASN : amide:sc= -1.09 K(o=-1.1,f=0) USER MOD Single : A 515 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.228) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 517 HIS : no HE2:sc= -9.66! C(o=-9.7!,f=-11!) USER MOD Single : A 518 CYS SG : rot 180:sc= 0 USER MOD Single : A 520 LYS NZ :NH3+ -120:sc= 0.182 (180deg=-1.46!) USER MOD Single : A 525 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HD1:sc= -0.828 X(o=-0.83,f=-1.2) USER MOD Single : A 534 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.21) USER MOD Single : A 541 GLN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 ASN : amide:sc= -0.389 X(o=-0.39,f=-0.13) USER MOD Single : A 546 GLN : amide:sc= -0.0325 X(o=-0.033,f=-0.32) USER MOD Single : A 550 LYS NZ :NH3+ 173:sc= -0.228 (180deg=-0.515) USER MOD Single : A 551 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 554 THR OG1 : rot 180:sc= 0.0855 USER MOD Single : A 556 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 559 THR OG1 : rot 180:sc= 0 USER MOD Single : A 560 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 437 106.060 -13.753 -17.064 1.00 0.00 N ATOM 2 CA MET A 437 105.045 -13.090 -16.203 1.00 0.00 C ATOM 3 C MET A 437 103.857 -12.603 -17.027 1.00 0.00 C ATOM 4 O MET A 437 102.782 -12.340 -16.488 1.00 0.00 O ATOM 5 CB MET A 437 105.709 -11.912 -15.486 1.00 0.00 C ATOM 6 CG MET A 437 107.188 -12.123 -15.210 1.00 0.00 C ATOM 7 SD MET A 437 107.833 -10.987 -13.967 1.00 0.00 S ATOM 8 CE MET A 437 107.293 -9.414 -14.631 1.00 0.00 C ATOM 0 HA MET A 437 104.668 -13.809 -15.476 1.00 0.00 H new ATOM 0 HB2 MET A 437 105.585 -11.013 -16.090 1.00 0.00 H new ATOM 0 HB3 MET A 437 105.194 -11.735 -14.542 1.00 0.00 H new ATOM 0 HG2 MET A 437 107.349 -13.148 -14.877 1.00 0.00 H new ATOM 0 HG3 MET A 437 107.748 -11.997 -16.137 1.00 0.00 H new ATOM 0 HE1 MET A 437 107.804 -8.604 -14.110 1.00 0.00 H new ATOM 0 HE2 MET A 437 107.529 -9.367 -15.694 1.00 0.00 H new ATOM 0 HE3 MET A 437 106.217 -9.311 -14.494 1.00 0.00 H new ATOM 20 N HIS A 438 104.059 -12.485 -18.334 1.00 0.00 N ATOM 21 CA HIS A 438 103.006 -12.028 -19.234 1.00 0.00 C ATOM 22 C HIS A 438 103.446 -12.145 -20.689 1.00 0.00 C ATOM 23 O HIS A 438 104.615 -12.406 -20.976 1.00 0.00 O ATOM 24 CB HIS A 438 102.632 -10.578 -18.921 1.00 0.00 C ATOM 25 CG HIS A 438 101.403 -10.441 -18.078 1.00 0.00 C ATOM 26 ND1 HIS A 438 100.169 -10.929 -18.458 1.00 0.00 N ATOM 27 CD2 HIS A 438 101.222 -9.864 -16.868 1.00 0.00 C ATOM 28 CE1 HIS A 438 99.283 -10.654 -17.517 1.00 0.00 C ATOM 29 NE2 HIS A 438 99.897 -10.011 -16.541 1.00 0.00 N ATOM 0 H HIS A 438 104.943 -12.700 -18.795 1.00 0.00 H new ATOM 0 HA HIS A 438 102.133 -12.663 -19.083 1.00 0.00 H new ATOM 0 HB2 HIS A 438 103.467 -10.099 -18.410 1.00 0.00 H new ATOM 0 HB3 HIS A 438 102.481 -10.041 -19.857 1.00 0.00 H new ATOM 0 HD2 HIS A 438 101.979 -9.378 -16.270 1.00 0.00 H new ATOM 0 HE1 HIS A 438 98.234 -10.912 -17.542 1.00 0.00 H new ATOM 0 HE2 HIS A 438 99.458 -9.677 -15.683 1.00 0.00 H new ATOM 38 N HIS A 439 102.504 -11.950 -21.606 1.00 0.00 N ATOM 39 CA HIS A 439 102.798 -12.032 -23.031 1.00 0.00 C ATOM 40 C HIS A 439 103.690 -10.877 -23.473 1.00 0.00 C ATOM 41 O HIS A 439 103.913 -9.929 -22.720 1.00 0.00 O ATOM 42 CB HIS A 439 101.502 -12.028 -23.843 1.00 0.00 C ATOM 43 CG HIS A 439 101.048 -13.395 -24.253 1.00 0.00 C ATOM 44 ND1 HIS A 439 99.739 -13.817 -24.143 1.00 0.00 N ATOM 45 CD2 HIS A 439 101.735 -14.440 -24.773 1.00 0.00 C ATOM 46 CE1 HIS A 439 99.641 -15.061 -24.577 1.00 0.00 C ATOM 47 NE2 HIS A 439 100.837 -15.462 -24.964 1.00 0.00 N ATOM 0 H HIS A 439 101.531 -11.734 -21.387 1.00 0.00 H new ATOM 0 HA HIS A 439 103.329 -12.967 -23.211 1.00 0.00 H new ATOM 0 HB2 HIS A 439 100.716 -11.554 -23.255 1.00 0.00 H new ATOM 0 HB3 HIS A 439 101.644 -11.418 -24.735 1.00 0.00 H new ATOM 0 HD2 HIS A 439 102.791 -14.465 -24.996 1.00 0.00 H new ATOM 0 HE1 HIS A 439 98.736 -15.650 -24.609 1.00 0.00 H new ATOM 0 HE2 HIS A 439 101.059 -16.382 -25.344 1.00 0.00 H new ATOM 56 N HIS A 440 104.194 -10.967 -24.698 1.00 0.00 N ATOM 57 CA HIS A 440 105.061 -9.931 -25.248 1.00 0.00 C ATOM 58 C HIS A 440 106.405 -9.903 -24.526 1.00 0.00 C ATOM 59 O HIS A 440 106.516 -10.337 -23.380 1.00 0.00 O ATOM 60 CB HIS A 440 104.387 -8.564 -25.145 1.00 0.00 C ATOM 61 CG HIS A 440 104.344 -7.821 -26.444 1.00 0.00 C ATOM 62 ND1 HIS A 440 104.685 -6.491 -26.561 1.00 0.00 N ATOM 63 CD2 HIS A 440 103.999 -8.230 -27.687 1.00 0.00 C ATOM 64 CE1 HIS A 440 104.550 -6.112 -27.820 1.00 0.00 C ATOM 65 NE2 HIS A 440 104.135 -7.150 -28.523 1.00 0.00 N ATOM 0 H HIS A 440 104.017 -11.748 -25.330 1.00 0.00 H new ATOM 0 HA HIS A 440 105.238 -10.163 -26.298 1.00 0.00 H new ATOM 0 HB2 HIS A 440 103.370 -8.696 -24.777 1.00 0.00 H new ATOM 0 HB3 HIS A 440 104.917 -7.961 -24.408 1.00 0.00 H new ATOM 0 HD2 HIS A 440 103.677 -9.222 -27.969 1.00 0.00 H new ATOM 0 HE1 HIS A 440 104.746 -5.123 -28.207 1.00 0.00 H new ATOM 0 HE2 HIS A 440 103.946 -7.149 -29.525 1.00 0.00 H new ATOM 74 N HIS A 441 107.422 -9.387 -25.210 1.00 0.00 N ATOM 75 CA HIS A 441 108.764 -9.297 -24.645 1.00 0.00 C ATOM 76 C HIS A 441 109.788 -9.002 -25.737 1.00 0.00 C ATOM 77 O HIS A 441 110.724 -9.774 -25.947 1.00 0.00 O ATOM 78 CB HIS A 441 109.128 -10.598 -23.927 1.00 0.00 C ATOM 79 CG HIS A 441 108.855 -11.826 -24.741 1.00 0.00 C ATOM 80 ND1 HIS A 441 108.249 -12.953 -24.226 1.00 0.00 N ATOM 81 CD2 HIS A 441 109.112 -12.100 -26.041 1.00 0.00 C ATOM 82 CE1 HIS A 441 108.145 -13.867 -25.176 1.00 0.00 C ATOM 83 NE2 HIS A 441 108.661 -13.373 -26.286 1.00 0.00 N ATOM 0 H HIS A 441 107.341 -9.024 -26.160 1.00 0.00 H new ATOM 0 HA HIS A 441 108.776 -8.479 -23.924 1.00 0.00 H new ATOM 0 HB2 HIS A 441 110.185 -10.574 -23.663 1.00 0.00 H new ATOM 0 HB3 HIS A 441 108.568 -10.658 -22.994 1.00 0.00 H new ATOM 0 HD2 HIS A 441 109.584 -11.440 -26.753 1.00 0.00 H new ATOM 0 HE1 HIS A 441 107.712 -14.850 -25.063 1.00 0.00 H new ATOM 0 HE2 HIS A 441 108.716 -13.859 -27.181 1.00 0.00 H new ATOM 92 N HIS A 442 109.601 -7.886 -26.436 1.00 0.00 N ATOM 93 CA HIS A 442 110.506 -7.498 -27.512 1.00 0.00 C ATOM 94 C HIS A 442 110.993 -6.062 -27.333 1.00 0.00 C ATOM 95 O HIS A 442 111.184 -5.337 -28.310 1.00 0.00 O ATOM 96 CB HIS A 442 109.809 -7.644 -28.866 1.00 0.00 C ATOM 97 CG HIS A 442 110.609 -8.405 -29.877 1.00 0.00 C ATOM 98 ND1 HIS A 442 111.551 -7.814 -30.693 1.00 0.00 N ATOM 99 CD2 HIS A 442 110.603 -9.719 -30.203 1.00 0.00 C ATOM 100 CE1 HIS A 442 112.090 -8.731 -31.477 1.00 0.00 C ATOM 101 NE2 HIS A 442 111.532 -9.895 -31.199 1.00 0.00 N ATOM 0 H HIS A 442 108.832 -7.236 -26.276 1.00 0.00 H new ATOM 0 HA HIS A 442 111.371 -8.160 -27.478 1.00 0.00 H new ATOM 0 HB2 HIS A 442 108.853 -8.146 -28.720 1.00 0.00 H new ATOM 0 HB3 HIS A 442 109.591 -6.652 -29.261 1.00 0.00 H new ATOM 0 HD2 HIS A 442 109.983 -10.486 -29.762 1.00 0.00 H new ATOM 0 HE1 HIS A 442 112.856 -8.558 -32.218 1.00 0.00 H new ATOM 0 HE2 HIS A 442 111.755 -10.782 -31.651 1.00 0.00 H new ATOM 110 N HIS A 443 111.195 -5.656 -26.083 1.00 0.00 N ATOM 111 CA HIS A 443 111.662 -4.306 -25.784 1.00 0.00 C ATOM 112 C HIS A 443 112.437 -4.271 -24.471 1.00 0.00 C ATOM 113 O HIS A 443 113.608 -3.895 -24.440 1.00 0.00 O ATOM 114 CB HIS A 443 110.479 -3.339 -25.718 1.00 0.00 C ATOM 115 CG HIS A 443 109.965 -2.924 -27.061 1.00 0.00 C ATOM 116 ND1 HIS A 443 108.666 -3.143 -27.469 1.00 0.00 N ATOM 117 CD2 HIS A 443 110.582 -2.301 -28.093 1.00 0.00 C ATOM 118 CE1 HIS A 443 108.506 -2.674 -28.694 1.00 0.00 C ATOM 119 NE2 HIS A 443 109.653 -2.157 -29.095 1.00 0.00 N ATOM 0 H HIS A 443 111.043 -6.242 -25.262 1.00 0.00 H new ATOM 0 HA HIS A 443 112.333 -3.997 -26.585 1.00 0.00 H new ATOM 0 HB2 HIS A 443 109.670 -3.807 -25.158 1.00 0.00 H new ATOM 0 HB3 HIS A 443 110.778 -2.450 -25.163 1.00 0.00 H new ATOM 0 HD2 HIS A 443 111.612 -1.978 -28.123 1.00 0.00 H new ATOM 0 HE1 HIS A 443 107.593 -2.708 -29.269 1.00 0.00 H new ATOM 0 HE2 HIS A 443 109.822 -1.721 -30.002 1.00 0.00 H new ATOM 128 N SER A 444 111.773 -4.661 -23.387 1.00 0.00 N ATOM 129 CA SER A 444 112.397 -4.672 -22.069 1.00 0.00 C ATOM 130 C SER A 444 113.480 -5.743 -21.985 1.00 0.00 C ATOM 131 O SER A 444 113.209 -6.885 -21.617 1.00 0.00 O ATOM 132 CB SER A 444 111.342 -4.915 -20.988 1.00 0.00 C ATOM 133 OG SER A 444 110.963 -3.702 -20.360 1.00 0.00 O ATOM 0 H SER A 444 110.802 -4.974 -23.396 1.00 0.00 H new ATOM 0 HA SER A 444 112.861 -3.699 -21.907 1.00 0.00 H new ATOM 0 HB2 SER A 444 110.465 -5.387 -21.431 1.00 0.00 H new ATOM 0 HB3 SER A 444 111.734 -5.607 -20.242 1.00 0.00 H new ATOM 0 HG SER A 444 110.287 -3.886 -19.675 1.00 0.00 H new ATOM 139 N ASN A 445 114.709 -5.365 -22.326 1.00 0.00 N ATOM 140 CA ASN A 445 115.832 -6.295 -22.287 1.00 0.00 C ATOM 141 C ASN A 445 115.946 -6.956 -20.917 1.00 0.00 C ATOM 142 O ASN A 445 115.562 -8.111 -20.739 1.00 0.00 O ATOM 143 CB ASN A 445 117.135 -5.567 -22.622 1.00 0.00 C ATOM 144 CG ASN A 445 117.510 -5.700 -24.085 1.00 0.00 C ATOM 145 OD1 ASN A 445 118.523 -6.311 -24.425 1.00 0.00 O ATOM 146 ND2 ASN A 445 116.695 -5.124 -24.961 1.00 0.00 N ATOM 0 H ASN A 445 114.952 -4.423 -22.632 1.00 0.00 H new ATOM 0 HA ASN A 445 115.653 -7.071 -23.031 1.00 0.00 H new ATOM 0 HB2 ASN A 445 117.034 -4.511 -22.370 1.00 0.00 H new ATOM 0 HB3 ASN A 445 117.940 -5.966 -22.005 1.00 0.00 H new ATOM 0 HD21 ASN A 445 116.898 -5.178 -25.959 1.00 0.00 H new ATOM 0 HD22 ASN A 445 115.866 -4.627 -24.636 1.00 0.00 H new ATOM 153 N ALA A 446 116.480 -6.214 -19.950 1.00 0.00 N ATOM 154 CA ALA A 446 116.648 -6.729 -18.596 1.00 0.00 C ATOM 155 C ALA A 446 116.453 -5.622 -17.563 1.00 0.00 C ATOM 156 O ALA A 446 117.275 -4.713 -17.452 1.00 0.00 O ATOM 157 CB ALA A 446 118.018 -7.370 -18.426 1.00 0.00 C ATOM 0 H ALA A 446 116.803 -5.255 -20.080 1.00 0.00 H new ATOM 0 HA ALA A 446 115.886 -7.491 -18.434 1.00 0.00 H new ATOM 0 HB1 ALA A 446 118.120 -7.747 -17.408 1.00 0.00 H new ATOM 0 HB2 ALA A 446 118.124 -8.195 -19.130 1.00 0.00 H new ATOM 0 HB3 ALA A 446 118.793 -6.628 -18.617 1.00 0.00 H new ATOM 163 N THR A 447 115.362 -5.707 -16.808 1.00 0.00 N ATOM 164 CA THR A 447 115.064 -4.712 -15.784 1.00 0.00 C ATOM 165 C THR A 447 115.946 -4.906 -14.556 1.00 0.00 C ATOM 166 O THR A 447 116.294 -6.032 -14.201 1.00 0.00 O ATOM 167 CB THR A 447 113.585 -4.772 -15.354 1.00 0.00 C ATOM 168 OG1 THR A 447 112.906 -5.873 -15.968 1.00 0.00 O ATOM 169 CG2 THR A 447 112.859 -3.489 -15.729 1.00 0.00 C ATOM 0 H THR A 447 114.671 -6.453 -16.886 1.00 0.00 H new ATOM 0 HA THR A 447 115.267 -3.736 -16.224 1.00 0.00 H new ATOM 0 HB THR A 447 113.576 -4.901 -14.272 1.00 0.00 H new ATOM 0 HG1 THR A 447 111.971 -5.885 -15.675 1.00 0.00 H new ATOM 0 HG21 THR A 447 111.817 -3.555 -15.415 1.00 0.00 H new ATOM 0 HG22 THR A 447 113.334 -2.643 -15.232 1.00 0.00 H new ATOM 0 HG23 THR A 447 112.904 -3.348 -16.809 1.00 0.00 H new ATOM 177 N GLY A 448 116.304 -3.802 -13.911 1.00 0.00 N ATOM 178 CA GLY A 448 117.144 -3.874 -12.729 1.00 0.00 C ATOM 179 C GLY A 448 116.360 -4.239 -11.483 1.00 0.00 C ATOM 180 O GLY A 448 115.522 -3.464 -11.024 1.00 0.00 O ATOM 0 H GLY A 448 116.028 -2.859 -14.185 1.00 0.00 H new ATOM 0 HA2 GLY A 448 117.930 -4.612 -12.890 1.00 0.00 H new ATOM 0 HA3 GLY A 448 117.636 -2.913 -12.577 1.00 0.00 H new ATOM 184 N PRO A 449 116.614 -5.427 -10.913 1.00 0.00 N ATOM 185 CA PRO A 449 115.923 -5.894 -9.712 1.00 0.00 C ATOM 186 C PRO A 449 116.545 -5.345 -8.431 1.00 0.00 C ATOM 187 O PRO A 449 117.144 -6.088 -7.654 1.00 0.00 O ATOM 188 CB PRO A 449 116.107 -7.407 -9.793 1.00 0.00 C ATOM 189 CG PRO A 449 117.429 -7.583 -10.460 1.00 0.00 C ATOM 190 CD PRO A 449 117.596 -6.413 -11.399 1.00 0.00 C ATOM 0 HA PRO A 449 114.883 -5.570 -9.676 1.00 0.00 H new ATOM 0 HB2 PRO A 449 116.098 -7.862 -8.803 1.00 0.00 H new ATOM 0 HB3 PRO A 449 115.307 -7.875 -10.367 1.00 0.00 H new ATOM 0 HG2 PRO A 449 118.234 -7.608 -9.725 1.00 0.00 H new ATOM 0 HG3 PRO A 449 117.466 -8.526 -11.005 1.00 0.00 H new ATOM 0 HD2 PRO A 449 118.611 -6.016 -11.367 1.00 0.00 H new ATOM 0 HD3 PRO A 449 117.398 -6.698 -12.432 1.00 0.00 H new ATOM 198 N GLN A 450 116.399 -4.041 -8.219 1.00 0.00 N ATOM 199 CA GLN A 450 116.946 -3.391 -7.032 1.00 0.00 C ATOM 200 C GLN A 450 116.043 -2.253 -6.573 1.00 0.00 C ATOM 201 O GLN A 450 116.504 -1.285 -5.967 1.00 0.00 O ATOM 202 CB GLN A 450 118.351 -2.859 -7.320 1.00 0.00 C ATOM 203 CG GLN A 450 119.453 -3.671 -6.662 1.00 0.00 C ATOM 204 CD GLN A 450 119.467 -5.116 -7.120 1.00 0.00 C ATOM 205 OE1 GLN A 450 119.591 -5.401 -8.310 1.00 0.00 O ATOM 206 NE2 GLN A 450 119.341 -6.037 -6.172 1.00 0.00 N ATOM 0 H GLN A 450 115.906 -3.413 -8.854 1.00 0.00 H new ATOM 0 HA GLN A 450 117.002 -4.131 -6.234 1.00 0.00 H new ATOM 0 HB2 GLN A 450 118.513 -2.848 -8.398 1.00 0.00 H new ATOM 0 HB3 GLN A 450 118.417 -1.826 -6.977 1.00 0.00 H new ATOM 0 HG2 GLN A 450 120.417 -3.214 -6.884 1.00 0.00 H new ATOM 0 HG3 GLN A 450 119.326 -3.638 -5.580 1.00 0.00 H new ATOM 0 HE21 GLN A 450 119.241 -5.755 -5.197 1.00 0.00 H new ATOM 0 HE22 GLN A 450 119.345 -7.027 -6.419 1.00 0.00 H new ATOM 215 N PHE A 451 114.754 -2.376 -6.868 1.00 0.00 N ATOM 216 CA PHE A 451 113.778 -1.361 -6.491 1.00 0.00 C ATOM 217 C PHE A 451 113.337 -1.533 -5.041 1.00 0.00 C ATOM 218 O PHE A 451 112.622 -2.478 -4.710 1.00 0.00 O ATOM 219 CB PHE A 451 112.561 -1.439 -7.414 1.00 0.00 C ATOM 220 CG PHE A 451 111.694 -2.641 -7.158 1.00 0.00 C ATOM 221 CD1 PHE A 451 111.994 -3.863 -7.737 1.00 0.00 C ATOM 222 CD2 PHE A 451 110.582 -2.547 -6.338 1.00 0.00 C ATOM 223 CE1 PHE A 451 111.200 -4.970 -7.504 1.00 0.00 C ATOM 224 CE2 PHE A 451 109.785 -3.651 -6.100 1.00 0.00 C ATOM 225 CZ PHE A 451 110.094 -4.864 -6.685 1.00 0.00 C ATOM 0 H PHE A 451 114.360 -3.172 -7.369 1.00 0.00 H new ATOM 0 HA PHE A 451 114.250 -0.384 -6.592 1.00 0.00 H new ATOM 0 HB2 PHE A 451 111.963 -0.536 -7.292 1.00 0.00 H new ATOM 0 HB3 PHE A 451 112.900 -1.459 -8.450 1.00 0.00 H new ATOM 0 HD1 PHE A 451 112.859 -3.952 -8.378 1.00 0.00 H new ATOM 0 HD2 PHE A 451 110.335 -1.601 -5.880 1.00 0.00 H new ATOM 0 HE1 PHE A 451 111.445 -5.917 -7.962 1.00 0.00 H new ATOM 0 HE2 PHE A 451 108.921 -3.565 -5.457 1.00 0.00 H new ATOM 0 HZ PHE A 451 109.472 -5.727 -6.502 1.00 0.00 H new ATOM 235 N VAL A 452 113.760 -0.613 -4.180 1.00 0.00 N ATOM 236 CA VAL A 452 113.393 -0.669 -2.770 1.00 0.00 C ATOM 237 C VAL A 452 111.908 -0.979 -2.619 1.00 0.00 C ATOM 238 O VAL A 452 111.066 -0.087 -2.713 1.00 0.00 O ATOM 239 CB VAL A 452 113.711 0.657 -2.052 1.00 0.00 C ATOM 240 CG1 VAL A 452 112.865 1.789 -2.614 1.00 0.00 C ATOM 241 CG2 VAL A 452 113.501 0.519 -0.552 1.00 0.00 C ATOM 0 H VAL A 452 114.354 0.177 -4.432 1.00 0.00 H new ATOM 0 HA VAL A 452 113.982 -1.463 -2.311 1.00 0.00 H new ATOM 0 HB VAL A 452 114.759 0.898 -2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 452 113.105 2.716 -2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 452 113.074 1.906 -3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 452 111.809 1.558 -2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 452 113.731 1.466 -0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 452 112.463 0.251 -0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 452 114.158 -0.259 -0.163 1.00 0.00 H new ATOM 251 N SER A 453 111.591 -2.254 -2.399 1.00 0.00 N ATOM 252 CA SER A 453 110.202 -2.688 -2.254 1.00 0.00 C ATOM 253 C SER A 453 109.570 -2.258 -0.923 1.00 0.00 C ATOM 254 O SER A 453 108.528 -2.788 -0.540 1.00 0.00 O ATOM 255 CB SER A 453 110.119 -4.210 -2.397 1.00 0.00 C ATOM 256 OG SER A 453 110.259 -4.850 -1.140 1.00 0.00 O ATOM 0 H SER A 453 112.277 -3.005 -2.317 1.00 0.00 H new ATOM 0 HA SER A 453 109.634 -2.199 -3.045 1.00 0.00 H new ATOM 0 HB2 SER A 453 109.163 -4.485 -2.844 1.00 0.00 H new ATOM 0 HB3 SER A 453 110.899 -4.558 -3.074 1.00 0.00 H new ATOM 0 HG SER A 453 110.415 -5.808 -1.276 1.00 0.00 H new ATOM 262 N GLY A 454 110.176 -1.287 -0.237 1.00 0.00 N ATOM 263 CA GLY A 454 109.630 -0.804 1.022 1.00 0.00 C ATOM 264 C GLY A 454 108.859 -1.858 1.801 1.00 0.00 C ATOM 265 O GLY A 454 107.899 -1.535 2.494 1.00 0.00 O ATOM 0 H GLY A 454 111.037 -0.826 -0.533 1.00 0.00 H new ATOM 0 HA2 GLY A 454 110.446 -0.432 1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 454 108.971 0.041 0.821 1.00 0.00 H new ATOM 269 N VAL A 455 109.265 -3.117 1.681 1.00 0.00 N ATOM 270 CA VAL A 455 108.586 -4.205 2.377 1.00 0.00 C ATOM 271 C VAL A 455 107.079 -3.971 2.410 1.00 0.00 C ATOM 272 O VAL A 455 106.568 -3.279 3.291 1.00 0.00 O ATOM 273 CB VAL A 455 109.099 -4.372 3.821 1.00 0.00 C ATOM 274 CG1 VAL A 455 109.451 -5.826 4.093 1.00 0.00 C ATOM 275 CG2 VAL A 455 110.297 -3.469 4.084 1.00 0.00 C ATOM 0 H VAL A 455 110.058 -3.409 1.110 1.00 0.00 H new ATOM 0 HA VAL A 455 108.805 -5.117 1.822 1.00 0.00 H new ATOM 0 HB VAL A 455 108.301 -4.075 4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 455 109.812 -5.928 5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 455 108.565 -6.446 3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 455 110.229 -6.148 3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 455 110.638 -3.607 5.110 1.00 0.00 H new ATOM 0 HG22 VAL A 455 111.103 -3.724 3.396 1.00 0.00 H new ATOM 0 HG23 VAL A 455 110.008 -2.429 3.935 1.00 0.00 H new ATOM 285 N ILE A 456 106.374 -4.541 1.437 1.00 0.00 N ATOM 286 CA ILE A 456 104.927 -4.382 1.346 1.00 0.00 C ATOM 287 C ILE A 456 104.190 -5.302 2.314 1.00 0.00 C ATOM 288 O ILE A 456 103.842 -6.432 1.973 1.00 0.00 O ATOM 289 CB ILE A 456 104.422 -4.653 -0.083 1.00 0.00 C ATOM 290 CG1 ILE A 456 104.856 -3.528 -1.019 1.00 0.00 C ATOM 291 CG2 ILE A 456 102.907 -4.802 -0.102 1.00 0.00 C ATOM 292 CD1 ILE A 456 104.814 -2.156 -0.382 1.00 0.00 C ATOM 0 H ILE A 456 106.782 -5.117 0.701 1.00 0.00 H new ATOM 0 HA ILE A 456 104.716 -3.347 1.615 1.00 0.00 H new ATOM 0 HB ILE A 456 104.861 -5.588 -0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 456 105.870 -3.727 -1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 456 104.212 -3.530 -1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 456 102.573 -4.993 -1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 456 102.615 -5.635 0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 456 102.447 -3.885 0.265 1.00 0.00 H new ATOM 0 HD11 ILE A 456 105.136 -1.408 -1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 456 103.796 -1.935 -0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 456 105.480 -2.135 0.481 1.00 0.00 H new ATOM 304 N VAL A 457 103.953 -4.802 3.518 1.00 0.00 N ATOM 305 CA VAL A 457 103.251 -5.568 4.541 1.00 0.00 C ATOM 306 C VAL A 457 101.758 -5.653 4.234 1.00 0.00 C ATOM 307 O VAL A 457 101.090 -4.632 4.056 1.00 0.00 O ATOM 308 CB VAL A 457 103.447 -4.950 5.937 1.00 0.00 C ATOM 309 CG1 VAL A 457 102.579 -5.659 6.964 1.00 0.00 C ATOM 310 CG2 VAL A 457 104.913 -5.001 6.340 1.00 0.00 C ATOM 0 H VAL A 457 104.237 -3.867 3.812 1.00 0.00 H new ATOM 0 HA VAL A 457 103.676 -6.572 4.536 1.00 0.00 H new ATOM 0 HB VAL A 457 103.139 -3.905 5.898 1.00 0.00 H new ATOM 0 HG11 VAL A 457 102.732 -5.207 7.944 1.00 0.00 H new ATOM 0 HG12 VAL A 457 101.531 -5.565 6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 457 102.851 -6.714 7.004 1.00 0.00 H new ATOM 0 HG21 VAL A 457 105.034 -4.560 7.329 1.00 0.00 H new ATOM 0 HG22 VAL A 457 105.249 -6.038 6.361 1.00 0.00 H new ATOM 0 HG23 VAL A 457 105.508 -4.442 5.618 1.00 0.00 H new ATOM 320 N LYS A 458 101.244 -6.879 4.168 1.00 0.00 N ATOM 321 CA LYS A 458 99.832 -7.109 3.875 1.00 0.00 C ATOM 322 C LYS A 458 99.029 -7.323 5.154 1.00 0.00 C ATOM 323 O LYS A 458 99.293 -8.254 5.915 1.00 0.00 O ATOM 324 CB LYS A 458 99.675 -8.325 2.958 1.00 0.00 C ATOM 325 CG LYS A 458 98.237 -8.798 2.813 1.00 0.00 C ATOM 326 CD LYS A 458 98.166 -10.283 2.502 1.00 0.00 C ATOM 327 CE LYS A 458 96.949 -10.612 1.652 1.00 0.00 C ATOM 328 NZ LYS A 458 96.482 -12.010 1.865 1.00 0.00 N ATOM 0 H LYS A 458 101.786 -7.730 4.314 1.00 0.00 H new ATOM 0 HA LYS A 458 99.446 -6.222 3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 458 100.069 -8.079 1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 458 100.280 -9.144 3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 458 97.691 -8.592 3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 458 97.747 -8.235 2.019 1.00 0.00 H new ATOM 0 HD2 LYS A 458 99.071 -10.591 1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 458 98.127 -10.850 3.432 1.00 0.00 H new ATOM 0 HE2 LYS A 458 96.142 -9.920 1.891 1.00 0.00 H new ATOM 0 HE3 LYS A 458 97.192 -10.467 0.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 95.651 -12.193 1.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 97.243 -12.672 1.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 96.225 -12.142 2.864 1.00 0.00 H new ATOM 342 N ILE A 459 98.032 -6.472 5.369 1.00 0.00 N ATOM 343 CA ILE A 459 97.173 -6.587 6.541 1.00 0.00 C ATOM 344 C ILE A 459 95.752 -6.966 6.144 1.00 0.00 C ATOM 345 O ILE A 459 95.085 -6.235 5.411 1.00 0.00 O ATOM 346 CB ILE A 459 97.127 -5.285 7.361 1.00 0.00 C ATOM 347 CG1 ILE A 459 98.501 -4.604 7.358 1.00 0.00 C ATOM 348 CG2 ILE A 459 96.668 -5.585 8.785 1.00 0.00 C ATOM 349 CD1 ILE A 459 98.772 -3.765 8.590 1.00 0.00 C ATOM 0 H ILE A 459 97.799 -5.697 4.748 1.00 0.00 H new ATOM 0 HA ILE A 459 97.607 -7.373 7.159 1.00 0.00 H new ATOM 0 HB ILE A 459 96.412 -4.600 6.905 1.00 0.00 H new ATOM 0 HG12 ILE A 459 99.274 -5.368 7.273 1.00 0.00 H new ATOM 0 HG13 ILE A 459 98.580 -3.971 6.474 1.00 0.00 H new ATOM 0 HG21 ILE A 459 96.638 -4.660 9.360 1.00 0.00 H new ATOM 0 HG22 ILE A 459 95.673 -6.030 8.761 1.00 0.00 H new ATOM 0 HG23 ILE A 459 97.365 -6.280 9.253 1.00 0.00 H new ATOM 0 HD11 ILE A 459 99.762 -3.316 8.514 1.00 0.00 H new ATOM 0 HD12 ILE A 459 98.022 -2.978 8.666 1.00 0.00 H new ATOM 0 HD13 ILE A 459 98.727 -4.396 9.477 1.00 0.00 H new ATOM 361 N ILE A 460 95.284 -8.097 6.651 1.00 0.00 N ATOM 362 CA ILE A 460 93.930 -8.550 6.366 1.00 0.00 C ATOM 363 C ILE A 460 93.219 -8.969 7.647 1.00 0.00 C ATOM 364 O ILE A 460 93.782 -9.682 8.478 1.00 0.00 O ATOM 365 CB ILE A 460 93.901 -9.703 5.338 1.00 0.00 C ATOM 366 CG1 ILE A 460 92.483 -9.894 4.796 1.00 0.00 C ATOM 367 CG2 ILE A 460 94.422 -10.996 5.946 1.00 0.00 C ATOM 368 CD1 ILE A 460 91.644 -10.849 5.614 1.00 0.00 C ATOM 0 H ILE A 460 95.819 -8.716 7.260 1.00 0.00 H new ATOM 0 HA ILE A 460 93.401 -7.705 5.925 1.00 0.00 H new ATOM 0 HB ILE A 460 94.559 -9.437 4.511 1.00 0.00 H new ATOM 0 HG12 ILE A 460 91.984 -8.926 4.759 1.00 0.00 H new ATOM 0 HG13 ILE A 460 92.541 -10.262 3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 460 94.389 -11.789 5.199 1.00 0.00 H new ATOM 0 HG22 ILE A 460 95.450 -10.853 6.279 1.00 0.00 H new ATOM 0 HG23 ILE A 460 93.801 -11.274 6.797 1.00 0.00 H new ATOM 0 HD11 ILE A 460 90.652 -10.934 5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 460 92.120 -11.829 5.630 1.00 0.00 H new ATOM 0 HD13 ILE A 460 91.554 -10.473 6.633 1.00 0.00 H new ATOM 380 N SER A 461 91.984 -8.512 7.808 1.00 0.00 N ATOM 381 CA SER A 461 91.201 -8.835 8.994 1.00 0.00 C ATOM 382 C SER A 461 90.023 -9.732 8.639 1.00 0.00 C ATOM 383 O SER A 461 89.951 -10.276 7.538 1.00 0.00 O ATOM 384 CB SER A 461 90.698 -7.558 9.670 1.00 0.00 C ATOM 385 OG SER A 461 89.659 -6.957 8.916 1.00 0.00 O ATOM 0 H SER A 461 91.503 -7.917 7.133 1.00 0.00 H new ATOM 0 HA SER A 461 91.849 -9.371 9.688 1.00 0.00 H new ATOM 0 HB2 SER A 461 90.337 -7.791 10.672 1.00 0.00 H new ATOM 0 HB3 SER A 461 91.523 -6.854 9.784 1.00 0.00 H new ATOM 0 HG SER A 461 88.967 -6.620 9.523 1.00 0.00 H new ATOM 391 N THR A 462 89.108 -9.891 9.584 1.00 0.00 N ATOM 392 CA THR A 462 87.942 -10.730 9.376 1.00 0.00 C ATOM 393 C THR A 462 86.800 -9.936 8.768 1.00 0.00 C ATOM 394 O THR A 462 85.888 -10.504 8.166 1.00 0.00 O ATOM 395 CB THR A 462 87.468 -11.359 10.699 1.00 0.00 C ATOM 396 OG1 THR A 462 87.565 -10.427 11.783 1.00 0.00 O ATOM 397 CG2 THR A 462 88.297 -12.585 11.042 1.00 0.00 C ATOM 0 H THR A 462 89.153 -9.449 10.502 1.00 0.00 H new ATOM 0 HA THR A 462 88.236 -11.522 8.687 1.00 0.00 H new ATOM 0 HB THR A 462 86.425 -11.644 10.560 1.00 0.00 H new ATOM 0 HG1 THR A 462 87.256 -10.853 12.610 1.00 0.00 H new ATOM 0 HG21 THR A 462 87.944 -13.012 11.981 1.00 0.00 H new ATOM 0 HG22 THR A 462 88.199 -13.324 10.247 1.00 0.00 H new ATOM 0 HG23 THR A 462 89.344 -12.299 11.145 1.00 0.00 H new ATOM 405 N GLU A 463 86.852 -8.617 8.932 1.00 0.00 N ATOM 406 CA GLU A 463 85.813 -7.744 8.402 1.00 0.00 C ATOM 407 C GLU A 463 85.799 -6.407 9.133 1.00 0.00 C ATOM 408 O GLU A 463 85.813 -5.346 8.509 1.00 0.00 O ATOM 409 CB GLU A 463 84.455 -8.424 8.543 1.00 0.00 C ATOM 410 CG GLU A 463 83.910 -8.973 7.235 1.00 0.00 C ATOM 411 CD GLU A 463 82.789 -8.125 6.666 1.00 0.00 C ATOM 412 OE1 GLU A 463 81.627 -8.585 6.686 1.00 0.00 O ATOM 413 OE2 GLU A 463 83.072 -7.001 6.200 1.00 0.00 O ATOM 0 H GLU A 463 87.601 -8.132 9.426 1.00 0.00 H new ATOM 0 HA GLU A 463 86.023 -7.555 7.349 1.00 0.00 H new ATOM 0 HB2 GLU A 463 84.539 -9.239 9.262 1.00 0.00 H new ATOM 0 HB3 GLU A 463 83.741 -7.709 8.953 1.00 0.00 H new ATOM 0 HG2 GLU A 463 84.719 -9.035 6.507 1.00 0.00 H new ATOM 0 HG3 GLU A 463 83.547 -9.988 7.395 1.00 0.00 H new ATOM 420 N PRO A 464 85.768 -6.447 10.472 1.00 0.00 N ATOM 421 CA PRO A 464 85.747 -5.240 11.300 1.00 0.00 C ATOM 422 C PRO A 464 86.766 -4.203 10.843 1.00 0.00 C ATOM 423 O PRO A 464 86.401 -3.095 10.449 1.00 0.00 O ATOM 424 CB PRO A 464 86.099 -5.768 12.690 1.00 0.00 C ATOM 425 CG PRO A 464 85.600 -7.172 12.696 1.00 0.00 C ATOM 426 CD PRO A 464 85.750 -7.678 11.285 1.00 0.00 C ATOM 0 HA PRO A 464 84.787 -4.725 11.254 1.00 0.00 H new ATOM 0 HB2 PRO A 464 87.174 -5.728 12.869 1.00 0.00 H new ATOM 0 HB3 PRO A 464 85.624 -5.175 13.471 1.00 0.00 H new ATOM 0 HG2 PRO A 464 86.172 -7.785 13.392 1.00 0.00 H new ATOM 0 HG3 PRO A 464 84.559 -7.214 13.016 1.00 0.00 H new ATOM 0 HD2 PRO A 464 86.668 -8.253 11.161 1.00 0.00 H new ATOM 0 HD3 PRO A 464 84.924 -8.331 11.004 1.00 0.00 H new ATOM 434 N LEU A 465 88.044 -4.566 10.901 1.00 0.00 N ATOM 435 CA LEU A 465 89.113 -3.660 10.496 1.00 0.00 C ATOM 436 C LEU A 465 88.777 -2.225 10.889 1.00 0.00 C ATOM 437 O LEU A 465 88.092 -1.511 10.156 1.00 0.00 O ATOM 438 CB LEU A 465 89.353 -3.751 8.987 1.00 0.00 C ATOM 439 CG LEU A 465 90.824 -3.800 8.569 1.00 0.00 C ATOM 440 CD1 LEU A 465 91.096 -5.025 7.709 1.00 0.00 C ATOM 441 CD2 LEU A 465 91.208 -2.529 7.825 1.00 0.00 C ATOM 0 H LEU A 465 88.364 -5.479 11.224 1.00 0.00 H new ATOM 0 HA LEU A 465 90.026 -3.958 11.012 1.00 0.00 H new ATOM 0 HB2 LEU A 465 88.853 -4.642 8.608 1.00 0.00 H new ATOM 0 HB3 LEU A 465 88.883 -2.893 8.507 1.00 0.00 H new ATOM 0 HG LEU A 465 91.435 -3.871 9.469 1.00 0.00 H new ATOM 0 HD11 LEU A 465 92.147 -5.042 7.422 1.00 0.00 H new ATOM 0 HD12 LEU A 465 90.860 -5.926 8.275 1.00 0.00 H new ATOM 0 HD13 LEU A 465 90.476 -4.986 6.813 1.00 0.00 H new ATOM 0 HD21 LEU A 465 92.257 -2.580 7.535 1.00 0.00 H new ATOM 0 HD22 LEU A 465 90.589 -2.428 6.933 1.00 0.00 H new ATOM 0 HD23 LEU A 465 91.053 -1.667 8.473 1.00 0.00 H new ATOM 453 N PRO A 466 89.262 -1.789 12.059 1.00 0.00 N ATOM 454 CA PRO A 466 89.028 -0.446 12.573 1.00 0.00 C ATOM 455 C PRO A 466 88.891 0.596 11.466 1.00 0.00 C ATOM 456 O PRO A 466 87.888 1.308 11.390 1.00 0.00 O ATOM 457 CB PRO A 466 90.285 -0.197 13.399 1.00 0.00 C ATOM 458 CG PRO A 466 90.683 -1.545 13.915 1.00 0.00 C ATOM 459 CD PRO A 466 90.089 -2.578 12.982 1.00 0.00 C ATOM 0 HA PRO A 466 88.095 -0.367 13.132 1.00 0.00 H new ATOM 0 HB2 PRO A 466 91.076 0.242 12.791 1.00 0.00 H new ATOM 0 HB3 PRO A 466 90.089 0.497 14.217 1.00 0.00 H new ATOM 0 HG2 PRO A 466 91.768 -1.638 13.950 1.00 0.00 H new ATOM 0 HG3 PRO A 466 90.318 -1.690 14.932 1.00 0.00 H new ATOM 0 HD2 PRO A 466 90.865 -3.129 12.451 1.00 0.00 H new ATOM 0 HD3 PRO A 466 89.493 -3.311 13.525 1.00 0.00 H new ATOM 467 N GLY A 467 89.905 0.683 10.616 1.00 0.00 N ATOM 468 CA GLY A 467 89.886 1.642 9.525 1.00 0.00 C ATOM 469 C GLY A 467 91.282 2.070 9.125 1.00 0.00 C ATOM 470 O GLY A 467 92.265 1.605 9.701 1.00 0.00 O ATOM 0 H GLY A 467 90.744 0.105 10.661 1.00 0.00 H new ATOM 0 HA2 GLY A 467 89.380 1.203 8.665 1.00 0.00 H new ATOM 0 HA3 GLY A 467 89.309 2.518 9.822 1.00 0.00 H new ATOM 474 N ARG A 468 91.382 2.968 8.148 1.00 0.00 N ATOM 475 CA ARG A 468 92.684 3.453 7.706 1.00 0.00 C ATOM 476 C ARG A 468 93.394 4.186 8.840 1.00 0.00 C ATOM 477 O ARG A 468 94.591 4.004 9.062 1.00 0.00 O ATOM 478 CB ARG A 468 92.526 4.382 6.498 1.00 0.00 C ATOM 479 CG ARG A 468 91.832 5.695 6.822 1.00 0.00 C ATOM 480 CD ARG A 468 91.258 6.347 5.574 1.00 0.00 C ATOM 481 NE ARG A 468 92.305 6.854 4.691 1.00 0.00 N ATOM 482 CZ ARG A 468 92.061 7.464 3.536 1.00 0.00 C ATOM 483 NH1 ARG A 468 90.813 7.636 3.126 1.00 0.00 N ATOM 484 NH2 ARG A 468 93.065 7.904 2.790 1.00 0.00 N ATOM 0 H ARG A 468 90.586 3.370 7.653 1.00 0.00 H new ATOM 0 HA ARG A 468 93.288 2.595 7.412 1.00 0.00 H new ATOM 0 HB2 ARG A 468 93.511 4.595 6.084 1.00 0.00 H new ATOM 0 HB3 ARG A 468 91.960 3.864 5.724 1.00 0.00 H new ATOM 0 HG2 ARG A 468 91.032 5.517 7.541 1.00 0.00 H new ATOM 0 HG3 ARG A 468 92.541 6.375 7.295 1.00 0.00 H new ATOM 0 HD2 ARG A 468 90.648 5.623 5.034 1.00 0.00 H new ATOM 0 HD3 ARG A 468 90.599 7.166 5.863 1.00 0.00 H new ATOM 0 HE ARG A 468 93.277 6.733 4.977 1.00 0.00 H new ATOM 0 HH11 ARG A 468 90.038 7.300 3.697 1.00 0.00 H new ATOM 0 HH12 ARG A 468 90.628 8.104 2.239 1.00 0.00 H new ATOM 0 HH21 ARG A 468 94.027 7.775 3.102 1.00 0.00 H new ATOM 0 HH22 ARG A 468 92.875 8.372 1.904 1.00 0.00 H new ATOM 498 N LYS A 469 92.640 5.020 9.553 1.00 0.00 N ATOM 499 CA LYS A 469 93.180 5.790 10.667 1.00 0.00 C ATOM 500 C LYS A 469 93.650 4.878 11.799 1.00 0.00 C ATOM 501 O LYS A 469 94.733 5.069 12.357 1.00 0.00 O ATOM 502 CB LYS A 469 92.122 6.764 11.192 1.00 0.00 C ATOM 503 CG LYS A 469 90.745 6.137 11.349 1.00 0.00 C ATOM 504 CD LYS A 469 89.711 6.836 10.481 1.00 0.00 C ATOM 505 CE LYS A 469 89.030 7.971 11.229 1.00 0.00 C ATOM 506 NZ LYS A 469 87.766 8.394 10.566 1.00 0.00 N ATOM 0 H LYS A 469 91.648 5.179 9.376 1.00 0.00 H new ATOM 0 HA LYS A 469 94.042 6.349 10.302 1.00 0.00 H new ATOM 0 HB2 LYS A 469 92.446 7.155 12.156 1.00 0.00 H new ATOM 0 HB3 LYS A 469 92.051 7.612 10.511 1.00 0.00 H new ATOM 0 HG2 LYS A 469 90.792 5.081 11.081 1.00 0.00 H new ATOM 0 HG3 LYS A 469 90.438 6.187 12.394 1.00 0.00 H new ATOM 0 HD2 LYS A 469 90.192 7.227 9.584 1.00 0.00 H new ATOM 0 HD3 LYS A 469 88.963 6.115 10.153 1.00 0.00 H new ATOM 0 HE2 LYS A 469 88.816 7.656 12.250 1.00 0.00 H new ATOM 0 HE3 LYS A 469 89.708 8.822 11.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 469 87.333 9.169 11.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 469 87.973 8.719 9.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 469 87.108 7.589 10.527 1.00 0.00 H new ATOM 520 N GLN A 470 92.826 3.893 12.139 1.00 0.00 N ATOM 521 CA GLN A 470 93.151 2.961 13.210 1.00 0.00 C ATOM 522 C GLN A 470 94.204 1.955 12.763 1.00 0.00 C ATOM 523 O GLN A 470 95.148 1.665 13.498 1.00 0.00 O ATOM 524 CB GLN A 470 91.889 2.233 13.675 1.00 0.00 C ATOM 525 CG GLN A 470 91.085 3.006 14.710 1.00 0.00 C ATOM 526 CD GLN A 470 91.643 2.861 16.113 1.00 0.00 C ATOM 527 OE1 GLN A 470 91.934 3.852 16.783 1.00 0.00 O ATOM 528 NE2 GLN A 470 91.793 1.621 16.566 1.00 0.00 N ATOM 0 H GLN A 470 91.928 3.720 11.688 1.00 0.00 H new ATOM 0 HA GLN A 470 93.561 3.532 14.043 1.00 0.00 H new ATOM 0 HB2 GLN A 470 91.256 2.033 12.811 1.00 0.00 H new ATOM 0 HB3 GLN A 470 92.171 1.267 14.094 1.00 0.00 H new ATOM 0 HG2 GLN A 470 91.069 4.061 14.437 1.00 0.00 H new ATOM 0 HG3 GLN A 470 90.052 2.657 14.696 1.00 0.00 H new ATOM 0 HE21 GLN A 470 91.539 0.828 15.976 1.00 0.00 H new ATOM 0 HE22 GLN A 470 92.162 1.462 17.503 1.00 0.00 H new ATOM 537 N VAL A 471 94.043 1.426 11.554 1.00 0.00 N ATOM 538 CA VAL A 471 94.992 0.457 11.025 1.00 0.00 C ATOM 539 C VAL A 471 96.379 1.074 10.900 1.00 0.00 C ATOM 540 O VAL A 471 97.379 0.456 11.261 1.00 0.00 O ATOM 541 CB VAL A 471 94.549 -0.084 9.652 1.00 0.00 C ATOM 542 CG1 VAL A 471 95.605 -1.018 9.082 1.00 0.00 C ATOM 543 CG2 VAL A 471 93.208 -0.792 9.767 1.00 0.00 C ATOM 0 H VAL A 471 93.270 1.651 10.928 1.00 0.00 H new ATOM 0 HA VAL A 471 95.025 -0.374 11.729 1.00 0.00 H new ATOM 0 HB VAL A 471 94.433 0.757 8.969 1.00 0.00 H new ATOM 0 HG11 VAL A 471 95.276 -1.391 8.112 1.00 0.00 H new ATOM 0 HG12 VAL A 471 96.544 -0.477 8.963 1.00 0.00 H new ATOM 0 HG13 VAL A 471 95.754 -1.857 9.762 1.00 0.00 H new ATOM 0 HG21 VAL A 471 92.910 -1.168 8.788 1.00 0.00 H new ATOM 0 HG22 VAL A 471 93.295 -1.625 10.465 1.00 0.00 H new ATOM 0 HG23 VAL A 471 92.457 -0.091 10.131 1.00 0.00 H new ATOM 553 N ARG A 472 96.432 2.303 10.398 1.00 0.00 N ATOM 554 CA ARG A 472 97.697 3.008 10.239 1.00 0.00 C ATOM 555 C ARG A 472 98.357 3.242 11.596 1.00 0.00 C ATOM 556 O ARG A 472 99.560 3.037 11.755 1.00 0.00 O ATOM 557 CB ARG A 472 97.480 4.342 9.522 1.00 0.00 C ATOM 558 CG ARG A 472 96.789 5.389 10.378 1.00 0.00 C ATOM 559 CD ARG A 472 96.810 6.755 9.713 1.00 0.00 C ATOM 560 NE ARG A 472 97.457 7.759 10.552 1.00 0.00 N ATOM 561 CZ ARG A 472 97.303 9.068 10.384 1.00 0.00 C ATOM 562 NH1 ARG A 472 96.527 9.527 9.413 1.00 0.00 N ATOM 563 NH2 ARG A 472 97.925 9.919 11.189 1.00 0.00 N ATOM 0 H ARG A 472 95.614 2.831 10.095 1.00 0.00 H new ATOM 0 HA ARG A 472 98.358 2.388 9.633 1.00 0.00 H new ATOM 0 HB2 ARG A 472 98.445 4.731 9.196 1.00 0.00 H new ATOM 0 HB3 ARG A 472 96.886 4.170 8.624 1.00 0.00 H new ATOM 0 HG2 ARG A 472 95.757 5.088 10.561 1.00 0.00 H new ATOM 0 HG3 ARG A 472 97.280 5.448 11.349 1.00 0.00 H new ATOM 0 HD2 ARG A 472 97.334 6.687 8.760 1.00 0.00 H new ATOM 0 HD3 ARG A 472 95.789 7.068 9.494 1.00 0.00 H new ATOM 0 HE ARG A 472 98.061 7.438 11.309 1.00 0.00 H new ATOM 0 HH11 ARG A 472 96.047 8.875 8.793 1.00 0.00 H new ATOM 0 HH12 ARG A 472 96.410 10.532 9.286 1.00 0.00 H new ATOM 0 HH21 ARG A 472 98.522 9.569 11.938 1.00 0.00 H new ATOM 0 HH22 ARG A 472 97.806 10.924 11.059 1.00 0.00 H new ATOM 577 N ASP A 473 97.560 3.673 12.571 1.00 0.00 N ATOM 578 CA ASP A 473 98.067 3.939 13.913 1.00 0.00 C ATOM 579 C ASP A 473 98.496 2.646 14.603 1.00 0.00 C ATOM 580 O ASP A 473 99.432 2.638 15.403 1.00 0.00 O ATOM 581 CB ASP A 473 97.001 4.648 14.752 1.00 0.00 C ATOM 582 CG ASP A 473 97.111 6.158 14.671 1.00 0.00 C ATOM 583 OD1 ASP A 473 97.167 6.807 15.737 1.00 0.00 O ATOM 584 OD2 ASP A 473 97.143 6.692 13.543 1.00 0.00 O ATOM 0 H ASP A 473 96.561 3.845 12.456 1.00 0.00 H new ATOM 0 HA ASP A 473 98.939 4.586 13.821 1.00 0.00 H new ATOM 0 HB2 ASP A 473 96.012 4.340 14.413 1.00 0.00 H new ATOM 0 HB3 ASP A 473 97.094 4.335 15.792 1.00 0.00 H new ATOM 589 N THR A 474 97.804 1.555 14.291 1.00 0.00 N ATOM 590 CA THR A 474 98.108 0.255 14.883 1.00 0.00 C ATOM 591 C THR A 474 99.484 -0.246 14.453 1.00 0.00 C ATOM 592 O THR A 474 100.350 -0.531 15.288 1.00 0.00 O ATOM 593 CB THR A 474 97.058 -0.800 14.486 1.00 0.00 C ATOM 594 OG1 THR A 474 96.519 -0.536 13.186 1.00 0.00 O ATOM 595 CG2 THR A 474 95.912 -0.834 15.483 1.00 0.00 C ATOM 0 H THR A 474 97.027 1.544 13.630 1.00 0.00 H new ATOM 0 HA THR A 474 98.094 0.396 15.964 1.00 0.00 H new ATOM 0 HB THR A 474 97.569 -1.763 14.479 1.00 0.00 H new ATOM 0 HG1 THR A 474 97.248 -0.320 12.567 1.00 0.00 H new ATOM 0 HG21 THR A 474 95.186 -1.588 15.177 1.00 0.00 H new ATOM 0 HG22 THR A 474 96.297 -1.081 16.472 1.00 0.00 H new ATOM 0 HG23 THR A 474 95.429 0.143 15.516 1.00 0.00 H new ATOM 603 N LEU A 475 99.687 -0.345 13.145 1.00 0.00 N ATOM 604 CA LEU A 475 100.959 -0.805 12.614 1.00 0.00 C ATOM 605 C LEU A 475 102.071 0.147 13.021 1.00 0.00 C ATOM 606 O LEU A 475 103.166 -0.279 13.389 1.00 0.00 O ATOM 607 CB LEU A 475 100.894 -0.922 11.089 1.00 0.00 C ATOM 608 CG LEU A 475 100.308 0.294 10.371 1.00 0.00 C ATOM 609 CD1 LEU A 475 101.418 1.223 9.905 1.00 0.00 C ATOM 610 CD2 LEU A 475 99.450 -0.147 9.195 1.00 0.00 C ATOM 0 H LEU A 475 98.990 -0.114 12.438 1.00 0.00 H new ATOM 0 HA LEU A 475 101.171 -1.791 13.027 1.00 0.00 H new ATOM 0 HB2 LEU A 475 101.901 -1.098 10.710 1.00 0.00 H new ATOM 0 HB3 LEU A 475 100.299 -1.798 10.832 1.00 0.00 H new ATOM 0 HG LEU A 475 99.677 0.839 11.072 1.00 0.00 H new ATOM 0 HD11 LEU A 475 100.983 2.083 9.396 1.00 0.00 H new ATOM 0 HD12 LEU A 475 101.993 1.564 10.766 1.00 0.00 H new ATOM 0 HD13 LEU A 475 102.075 0.689 9.218 1.00 0.00 H new ATOM 0 HD21 LEU A 475 99.040 0.730 8.694 1.00 0.00 H new ATOM 0 HD22 LEU A 475 100.060 -0.714 8.492 1.00 0.00 H new ATOM 0 HD23 LEU A 475 98.634 -0.774 9.555 1.00 0.00 H new ATOM 622 N ALA A 476 101.779 1.441 12.968 1.00 0.00 N ATOM 623 CA ALA A 476 102.751 2.451 13.350 1.00 0.00 C ATOM 624 C ALA A 476 103.003 2.410 14.852 1.00 0.00 C ATOM 625 O ALA A 476 104.063 2.822 15.325 1.00 0.00 O ATOM 626 CB ALA A 476 102.293 3.839 12.925 1.00 0.00 C ATOM 0 H ALA A 476 100.879 1.812 12.665 1.00 0.00 H new ATOM 0 HA ALA A 476 103.686 2.231 12.834 1.00 0.00 H new ATOM 0 HB1 ALA A 476 103.039 4.576 13.223 1.00 0.00 H new ATOM 0 HB2 ALA A 476 102.169 3.866 11.842 1.00 0.00 H new ATOM 0 HB3 ALA A 476 101.342 4.071 13.405 1.00 0.00 H new ATOM 632 N ALA A 477 102.022 1.908 15.601 1.00 0.00 N ATOM 633 CA ALA A 477 102.148 1.816 17.050 1.00 0.00 C ATOM 634 C ALA A 477 103.109 0.701 17.442 1.00 0.00 C ATOM 635 O ALA A 477 103.786 0.786 18.466 1.00 0.00 O ATOM 636 CB ALA A 477 100.792 1.593 17.703 1.00 0.00 C ATOM 0 H ALA A 477 101.138 1.562 15.229 1.00 0.00 H new ATOM 0 HA ALA A 477 102.551 2.764 17.408 1.00 0.00 H new ATOM 0 HB1 ALA A 477 100.915 1.528 18.784 1.00 0.00 H new ATOM 0 HB2 ALA A 477 100.131 2.426 17.462 1.00 0.00 H new ATOM 0 HB3 ALA A 477 100.357 0.665 17.331 1.00 0.00 H new ATOM 642 N ILE A 478 103.175 -0.339 16.616 1.00 0.00 N ATOM 643 CA ILE A 478 104.072 -1.459 16.882 1.00 0.00 C ATOM 644 C ILE A 478 105.493 -1.127 16.433 1.00 0.00 C ATOM 645 O ILE A 478 106.468 -1.576 17.036 1.00 0.00 O ATOM 646 CB ILE A 478 103.596 -2.747 16.177 1.00 0.00 C ATOM 647 CG1 ILE A 478 102.365 -3.313 16.887 1.00 0.00 C ATOM 648 CG2 ILE A 478 104.712 -3.784 16.140 1.00 0.00 C ATOM 649 CD1 ILE A 478 101.054 -2.905 16.247 1.00 0.00 C ATOM 0 H ILE A 478 102.623 -0.430 15.763 1.00 0.00 H new ATOM 0 HA ILE A 478 104.063 -1.633 17.958 1.00 0.00 H new ATOM 0 HB ILE A 478 103.326 -2.500 15.150 1.00 0.00 H new ATOM 0 HG12 ILE A 478 102.431 -4.401 16.898 1.00 0.00 H new ATOM 0 HG13 ILE A 478 102.371 -2.982 17.926 1.00 0.00 H new ATOM 0 HG21 ILE A 478 104.356 -4.684 15.639 1.00 0.00 H new ATOM 0 HG22 ILE A 478 105.566 -3.380 15.597 1.00 0.00 H new ATOM 0 HG23 ILE A 478 105.013 -4.031 17.158 1.00 0.00 H new ATOM 0 HD11 ILE A 478 100.226 -3.343 16.804 1.00 0.00 H new ATOM 0 HD12 ILE A 478 100.966 -1.819 16.260 1.00 0.00 H new ATOM 0 HD13 ILE A 478 101.026 -3.259 15.217 1.00 0.00 H new ATOM 661 N SER A 479 105.596 -0.338 15.370 1.00 0.00 N ATOM 662 CA SER A 479 106.891 0.060 14.830 1.00 0.00 C ATOM 663 C SER A 479 106.738 1.242 13.878 1.00 0.00 C ATOM 664 O SER A 479 105.631 1.569 13.452 1.00 0.00 O ATOM 665 CB SER A 479 107.549 -1.113 14.104 1.00 0.00 C ATOM 666 OG SER A 479 107.602 -2.260 14.932 1.00 0.00 O ATOM 0 H SER A 479 104.796 0.040 14.863 1.00 0.00 H new ATOM 0 HA SER A 479 107.527 0.363 15.662 1.00 0.00 H new ATOM 0 HB2 SER A 479 106.991 -1.342 13.196 1.00 0.00 H new ATOM 0 HB3 SER A 479 108.557 -0.835 13.797 1.00 0.00 H new ATOM 0 HG SER A 479 107.747 -1.986 15.862 1.00 0.00 H new ATOM 672 N GLU A 480 107.856 1.880 13.548 1.00 0.00 N ATOM 673 CA GLU A 480 107.844 3.028 12.648 1.00 0.00 C ATOM 674 C GLU A 480 107.667 2.586 11.198 1.00 0.00 C ATOM 675 O GLU A 480 108.531 1.918 10.632 1.00 0.00 O ATOM 676 CB GLU A 480 109.137 3.831 12.796 1.00 0.00 C ATOM 677 CG GLU A 480 108.952 5.324 12.584 1.00 0.00 C ATOM 678 CD GLU A 480 109.464 6.148 13.750 1.00 0.00 C ATOM 679 OE1 GLU A 480 108.723 6.293 14.744 1.00 0.00 O ATOM 680 OE2 GLU A 480 110.606 6.646 13.667 1.00 0.00 O ATOM 0 H GLU A 480 108.782 1.622 13.890 1.00 0.00 H new ATOM 0 HA GLU A 480 106.998 3.660 12.919 1.00 0.00 H new ATOM 0 HB2 GLU A 480 109.548 3.662 13.791 1.00 0.00 H new ATOM 0 HB3 GLU A 480 109.870 3.459 12.081 1.00 0.00 H new ATOM 0 HG2 GLU A 480 109.473 5.625 11.675 1.00 0.00 H new ATOM 0 HG3 GLU A 480 107.894 5.537 12.431 1.00 0.00 H new ATOM 687 N VAL A 481 106.541 2.970 10.602 1.00 0.00 N ATOM 688 CA VAL A 481 106.249 2.617 9.216 1.00 0.00 C ATOM 689 C VAL A 481 106.402 3.825 8.299 1.00 0.00 C ATOM 690 O VAL A 481 106.363 4.969 8.752 1.00 0.00 O ATOM 691 CB VAL A 481 104.824 2.051 9.067 1.00 0.00 C ATOM 692 CG1 VAL A 481 104.756 0.626 9.596 1.00 0.00 C ATOM 693 CG2 VAL A 481 103.816 2.941 9.780 1.00 0.00 C ATOM 0 H VAL A 481 105.816 3.525 11.057 1.00 0.00 H new ATOM 0 HA VAL A 481 106.967 1.850 8.927 1.00 0.00 H new ATOM 0 HB VAL A 481 104.571 2.033 8.007 1.00 0.00 H new ATOM 0 HG11 VAL A 481 103.742 0.244 9.482 1.00 0.00 H new ATOM 0 HG12 VAL A 481 105.446 -0.004 9.035 1.00 0.00 H new ATOM 0 HG13 VAL A 481 105.031 0.616 10.651 1.00 0.00 H new ATOM 0 HG21 VAL A 481 102.816 2.524 9.663 1.00 0.00 H new ATOM 0 HG22 VAL A 481 104.065 2.996 10.840 1.00 0.00 H new ATOM 0 HG23 VAL A 481 103.845 3.942 9.348 1.00 0.00 H new ATOM 703 N LEU A 482 106.575 3.564 7.008 1.00 0.00 N ATOM 704 CA LEU A 482 106.733 4.632 6.028 1.00 0.00 C ATOM 705 C LEU A 482 105.377 5.162 5.578 1.00 0.00 C ATOM 706 O LEU A 482 104.992 6.281 5.916 1.00 0.00 O ATOM 707 CB LEU A 482 107.525 4.132 4.819 1.00 0.00 C ATOM 708 CG LEU A 482 108.599 5.093 4.305 1.00 0.00 C ATOM 709 CD1 LEU A 482 109.014 4.726 2.889 1.00 0.00 C ATOM 710 CD2 LEU A 482 108.102 6.530 4.361 1.00 0.00 C ATOM 0 H LEU A 482 106.609 2.623 6.616 1.00 0.00 H new ATOM 0 HA LEU A 482 107.282 5.446 6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 482 108.000 3.187 5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 482 106.827 3.924 4.008 1.00 0.00 H new ATOM 0 HG LEU A 482 109.473 5.006 4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 482 109.778 5.421 2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 482 109.414 3.712 2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 482 108.147 4.781 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 482 108.880 7.199 3.992 1.00 0.00 H new ATOM 0 HD22 LEU A 482 107.211 6.631 3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 482 107.858 6.791 5.391 1.00 0.00 H new ATOM 722 N TYR A 483 104.659 4.352 4.807 1.00 0.00 N ATOM 723 CA TYR A 483 103.346 4.744 4.304 1.00 0.00 C ATOM 724 C TYR A 483 102.377 3.567 4.321 1.00 0.00 C ATOM 725 O TYR A 483 102.749 2.446 3.990 1.00 0.00 O ATOM 726 CB TYR A 483 103.473 5.297 2.883 1.00 0.00 C ATOM 727 CG TYR A 483 102.151 5.680 2.257 1.00 0.00 C ATOM 728 CD1 TYR A 483 101.241 4.708 1.864 1.00 0.00 C ATOM 729 CD2 TYR A 483 101.815 7.013 2.061 1.00 0.00 C ATOM 730 CE1 TYR A 483 100.032 5.054 1.290 1.00 0.00 C ATOM 731 CE2 TYR A 483 100.608 7.367 1.489 1.00 0.00 C ATOM 732 CZ TYR A 483 99.720 6.385 1.106 1.00 0.00 C ATOM 733 OH TYR A 483 98.517 6.733 0.536 1.00 0.00 O ATOM 0 H TYR A 483 104.963 3.422 4.517 1.00 0.00 H new ATOM 0 HA TYR A 483 102.950 5.520 4.959 1.00 0.00 H new ATOM 0 HB2 TYR A 483 104.123 6.172 2.900 1.00 0.00 H new ATOM 0 HB3 TYR A 483 103.959 4.551 2.255 1.00 0.00 H new ATOM 0 HD1 TYR A 483 101.481 3.665 2.009 1.00 0.00 H new ATOM 0 HD2 TYR A 483 102.508 7.785 2.360 1.00 0.00 H new ATOM 0 HE1 TYR A 483 99.335 4.286 0.987 1.00 0.00 H new ATOM 0 HE2 TYR A 483 100.362 8.408 1.343 1.00 0.00 H new ATOM 0 HH TYR A 483 98.452 7.709 0.479 1.00 0.00 H new ATOM 743 N VAL A 484 101.134 3.827 4.713 1.00 0.00 N ATOM 744 CA VAL A 484 100.121 2.778 4.773 1.00 0.00 C ATOM 745 C VAL A 484 99.085 2.941 3.663 1.00 0.00 C ATOM 746 O VAL A 484 98.339 3.921 3.636 1.00 0.00 O ATOM 747 CB VAL A 484 99.402 2.770 6.133 1.00 0.00 C ATOM 748 CG1 VAL A 484 98.654 4.076 6.351 1.00 0.00 C ATOM 749 CG2 VAL A 484 98.458 1.581 6.232 1.00 0.00 C ATOM 0 H VAL A 484 100.804 4.751 4.993 1.00 0.00 H new ATOM 0 HA VAL A 484 100.643 1.830 4.639 1.00 0.00 H new ATOM 0 HB VAL A 484 100.152 2.674 6.918 1.00 0.00 H new ATOM 0 HG11 VAL A 484 98.152 4.051 7.318 1.00 0.00 H new ATOM 0 HG12 VAL A 484 99.359 4.907 6.330 1.00 0.00 H new ATOM 0 HG13 VAL A 484 97.914 4.208 5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 484 97.959 1.593 7.201 1.00 0.00 H new ATOM 0 HG22 VAL A 484 97.713 1.641 5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 484 99.025 0.656 6.127 1.00 0.00 H new ATOM 759 N ASP A 485 99.046 1.974 2.750 1.00 0.00 N ATOM 760 CA ASP A 485 98.103 2.006 1.636 1.00 0.00 C ATOM 761 C ASP A 485 96.912 1.086 1.894 1.00 0.00 C ATOM 762 O ASP A 485 96.946 -0.097 1.557 1.00 0.00 O ATOM 763 CB ASP A 485 98.803 1.595 0.341 1.00 0.00 C ATOM 764 CG ASP A 485 100.288 1.904 0.361 1.00 0.00 C ATOM 765 OD1 ASP A 485 101.061 1.064 0.870 1.00 0.00 O ATOM 766 OD2 ASP A 485 100.677 2.984 -0.130 1.00 0.00 O ATOM 0 H ASP A 485 99.657 1.158 2.760 1.00 0.00 H new ATOM 0 HA ASP A 485 97.733 3.027 1.539 1.00 0.00 H new ATOM 0 HB2 ASP A 485 98.659 0.527 0.177 1.00 0.00 H new ATOM 0 HB3 ASP A 485 98.339 2.112 -0.499 1.00 0.00 H new ATOM 771 N LEU A 486 95.859 1.636 2.489 1.00 0.00 N ATOM 772 CA LEU A 486 94.658 0.863 2.787 1.00 0.00 C ATOM 773 C LEU A 486 93.605 1.060 1.701 1.00 0.00 C ATOM 774 O LEU A 486 93.287 2.191 1.334 1.00 0.00 O ATOM 775 CB LEU A 486 94.089 1.272 4.150 1.00 0.00 C ATOM 776 CG LEU A 486 92.630 0.878 4.397 1.00 0.00 C ATOM 777 CD1 LEU A 486 91.684 1.909 3.798 1.00 0.00 C ATOM 778 CD2 LEU A 486 92.344 -0.505 3.829 1.00 0.00 C ATOM 0 H LEU A 486 95.812 2.614 2.775 1.00 0.00 H new ATOM 0 HA LEU A 486 94.930 -0.192 2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 486 94.705 0.826 4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 486 94.178 2.354 4.252 1.00 0.00 H new ATOM 0 HG LEU A 486 92.464 0.848 5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 486 90.653 1.609 3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 486 91.868 2.881 4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 486 91.853 1.976 2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 486 91.302 -0.766 4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 486 92.532 -0.503 2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 486 92.993 -1.237 4.310 1.00 0.00 H new ATOM 790 N LEU A 487 93.067 -0.044 1.187 1.00 0.00 N ATOM 791 CA LEU A 487 92.050 0.024 0.141 1.00 0.00 C ATOM 792 C LEU A 487 90.751 0.618 0.681 1.00 0.00 C ATOM 793 O LEU A 487 89.934 -0.084 1.274 1.00 0.00 O ATOM 794 CB LEU A 487 91.788 -1.366 -0.438 1.00 0.00 C ATOM 795 CG LEU A 487 92.872 -1.891 -1.381 1.00 0.00 C ATOM 796 CD1 LEU A 487 93.045 -3.392 -1.207 1.00 0.00 C ATOM 797 CD2 LEU A 487 92.533 -1.554 -2.826 1.00 0.00 C ATOM 0 H LEU A 487 93.316 -0.990 1.476 1.00 0.00 H new ATOM 0 HA LEU A 487 92.423 0.674 -0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 487 91.673 -2.070 0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 487 90.840 -1.346 -0.975 1.00 0.00 H new ATOM 0 HG LEU A 487 93.814 -1.404 -1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 487 93.820 -3.750 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 487 93.335 -3.608 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 487 92.105 -3.895 -1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 487 93.316 -1.935 -3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 487 91.581 -2.012 -3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 487 92.460 -0.472 -2.940 1.00 0.00 H new ATOM 809 N GLU A 488 90.571 1.919 0.470 1.00 0.00 N ATOM 810 CA GLU A 488 89.377 2.619 0.934 1.00 0.00 C ATOM 811 C GLU A 488 88.124 1.765 0.753 1.00 0.00 C ATOM 812 O GLU A 488 87.843 1.279 -0.343 1.00 0.00 O ATOM 813 CB GLU A 488 89.214 3.941 0.181 1.00 0.00 C ATOM 814 CG GLU A 488 88.656 5.067 1.037 1.00 0.00 C ATOM 815 CD GLU A 488 87.733 5.986 0.263 1.00 0.00 C ATOM 816 OE1 GLU A 488 87.420 5.667 -0.904 1.00 0.00 O ATOM 817 OE2 GLU A 488 87.321 7.023 0.822 1.00 0.00 O ATOM 0 H GLU A 488 91.240 2.512 -0.021 1.00 0.00 H new ATOM 0 HA GLU A 488 89.502 2.819 1.998 1.00 0.00 H new ATOM 0 HB2 GLU A 488 90.183 4.244 -0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 488 88.554 3.784 -0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 488 88.114 4.642 1.882 1.00 0.00 H new ATOM 0 HG3 GLU A 488 89.481 5.649 1.448 1.00 0.00 H new ATOM 824 N GLY A 489 87.373 1.597 1.836 1.00 0.00 N ATOM 825 CA GLY A 489 86.153 0.812 1.780 1.00 0.00 C ATOM 826 C GLY A 489 86.421 -0.675 1.682 1.00 0.00 C ATOM 827 O GLY A 489 85.500 -1.468 1.486 1.00 0.00 O ATOM 0 H GLY A 489 87.587 1.991 2.752 1.00 0.00 H new ATOM 0 HA2 GLY A 489 85.556 1.012 2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 489 85.561 1.128 0.921 1.00 0.00 H new ATOM 831 N ASP A 490 87.686 -1.056 1.817 1.00 0.00 N ATOM 832 CA ASP A 490 88.072 -2.460 1.742 1.00 0.00 C ATOM 833 C ASP A 490 88.571 -2.959 3.092 1.00 0.00 C ATOM 834 O ASP A 490 88.843 -2.170 3.997 1.00 0.00 O ATOM 835 CB ASP A 490 89.157 -2.654 0.682 1.00 0.00 C ATOM 836 CG ASP A 490 88.966 -3.931 -0.112 1.00 0.00 C ATOM 837 OD1 ASP A 490 88.211 -3.904 -1.108 1.00 0.00 O ATOM 838 OD2 ASP A 490 89.571 -4.959 0.260 1.00 0.00 O ATOM 0 H ASP A 490 88.461 -0.413 1.979 1.00 0.00 H new ATOM 0 HA ASP A 490 87.192 -3.039 1.463 1.00 0.00 H new ATOM 0 HB2 ASP A 490 89.153 -1.802 0.002 1.00 0.00 H new ATOM 0 HB3 ASP A 490 90.134 -2.672 1.165 1.00 0.00 H new ATOM 843 N THR A 491 88.687 -4.275 3.221 1.00 0.00 N ATOM 844 CA THR A 491 89.154 -4.886 4.459 1.00 0.00 C ATOM 845 C THR A 491 90.612 -5.320 4.339 1.00 0.00 C ATOM 846 O THR A 491 91.117 -6.068 5.176 1.00 0.00 O ATOM 847 CB THR A 491 88.297 -6.110 4.838 1.00 0.00 C ATOM 848 OG1 THR A 491 88.430 -7.160 3.871 1.00 0.00 O ATOM 849 CG2 THR A 491 86.826 -5.735 4.937 1.00 0.00 C ATOM 0 H THR A 491 88.463 -4.941 2.481 1.00 0.00 H new ATOM 0 HA THR A 491 89.063 -4.131 5.240 1.00 0.00 H new ATOM 0 HB THR A 491 88.657 -6.459 5.806 1.00 0.00 H new ATOM 0 HG1 THR A 491 87.877 -7.923 4.139 1.00 0.00 H new ATOM 0 HG21 THR A 491 86.243 -6.616 5.206 1.00 0.00 H new ATOM 0 HG22 THR A 491 86.697 -4.968 5.700 1.00 0.00 H new ATOM 0 HG23 THR A 491 86.483 -5.352 3.976 1.00 0.00 H new ATOM 857 N GLU A 492 91.278 -4.855 3.286 1.00 0.00 N ATOM 858 CA GLU A 492 92.675 -5.207 3.054 1.00 0.00 C ATOM 859 C GLU A 492 93.543 -3.967 2.855 1.00 0.00 C ATOM 860 O GLU A 492 93.284 -3.143 1.975 1.00 0.00 O ATOM 861 CB GLU A 492 92.791 -6.116 1.830 1.00 0.00 C ATOM 862 CG GLU A 492 92.137 -7.474 2.017 1.00 0.00 C ATOM 863 CD GLU A 492 92.973 -8.607 1.454 1.00 0.00 C ATOM 864 OE1 GLU A 492 94.215 -8.476 1.437 1.00 0.00 O ATOM 865 OE2 GLU A 492 92.385 -9.625 1.032 1.00 0.00 O ATOM 0 H GLU A 492 90.875 -4.236 2.583 1.00 0.00 H new ATOM 0 HA GLU A 492 93.034 -5.733 3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 492 92.336 -5.618 0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 492 93.845 -6.259 1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 492 91.966 -7.647 3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 492 91.161 -7.473 1.533 1.00 0.00 H new ATOM 872 N CYS A 493 94.581 -3.846 3.676 1.00 0.00 N ATOM 873 CA CYS A 493 95.501 -2.719 3.592 1.00 0.00 C ATOM 874 C CYS A 493 96.935 -3.219 3.458 1.00 0.00 C ATOM 875 O CYS A 493 97.298 -4.243 4.030 1.00 0.00 O ATOM 876 CB CYS A 493 95.373 -1.832 4.830 1.00 0.00 C ATOM 877 SG CYS A 493 96.782 -0.732 5.099 1.00 0.00 S ATOM 0 H CYS A 493 94.806 -4.518 4.410 1.00 0.00 H new ATOM 0 HA CYS A 493 95.246 -2.130 2.711 1.00 0.00 H new ATOM 0 HB2 CYS A 493 94.468 -1.231 4.741 1.00 0.00 H new ATOM 0 HB3 CYS A 493 95.249 -2.467 5.707 1.00 0.00 H new ATOM 0 HG CYS A 493 97.056 -0.680 6.369 1.00 0.00 H new ATOM 883 N HIS A 494 97.745 -2.491 2.701 1.00 0.00 N ATOM 884 CA HIS A 494 99.139 -2.868 2.495 1.00 0.00 C ATOM 885 C HIS A 494 100.068 -1.710 2.843 1.00 0.00 C ATOM 886 O HIS A 494 100.209 -0.763 2.071 1.00 0.00 O ATOM 887 CB HIS A 494 99.362 -3.302 1.046 1.00 0.00 C ATOM 888 CG HIS A 494 98.683 -4.592 0.703 1.00 0.00 C ATOM 889 ND1 HIS A 494 97.342 -4.816 0.927 1.00 0.00 N ATOM 890 CD2 HIS A 494 99.166 -5.730 0.148 1.00 0.00 C ATOM 891 CE1 HIS A 494 97.029 -6.036 0.529 1.00 0.00 C ATOM 892 NE2 HIS A 494 98.117 -6.611 0.052 1.00 0.00 N ATOM 0 H HIS A 494 97.462 -1.637 2.220 1.00 0.00 H new ATOM 0 HA HIS A 494 99.368 -3.705 3.155 1.00 0.00 H new ATOM 0 HB2 HIS A 494 98.999 -2.520 0.380 1.00 0.00 H new ATOM 0 HB3 HIS A 494 100.432 -3.403 0.865 1.00 0.00 H new ATOM 0 HD2 HIS A 494 100.185 -5.910 -0.161 1.00 0.00 H new ATOM 0 HE1 HIS A 494 96.049 -6.487 0.584 1.00 0.00 H new ATOM 0 HE2 HIS A 494 98.170 -7.557 -0.327 1.00 0.00 H new ATOM 901 N ALA A 495 100.686 -1.784 4.017 1.00 0.00 N ATOM 902 CA ALA A 495 101.584 -0.730 4.472 1.00 0.00 C ATOM 903 C ALA A 495 103.027 -0.991 4.054 1.00 0.00 C ATOM 904 O ALA A 495 103.572 -2.071 4.284 1.00 0.00 O ATOM 905 CB ALA A 495 101.502 -0.566 5.981 1.00 0.00 C ATOM 0 H ALA A 495 100.582 -2.561 4.669 1.00 0.00 H new ATOM 0 HA ALA A 495 101.259 0.194 3.994 1.00 0.00 H new ATOM 0 HB1 ALA A 495 102.180 0.226 6.298 1.00 0.00 H new ATOM 0 HB2 ALA A 495 100.482 -0.305 6.264 1.00 0.00 H new ATOM 0 HB3 ALA A 495 101.784 -1.501 6.465 1.00 0.00 H new ATOM 911 N ARG A 496 103.639 0.021 3.449 1.00 0.00 N ATOM 912 CA ARG A 496 105.022 -0.063 3.004 1.00 0.00 C ATOM 913 C ARG A 496 105.972 0.305 4.143 1.00 0.00 C ATOM 914 O ARG A 496 105.879 1.392 4.717 1.00 0.00 O ATOM 915 CB ARG A 496 105.248 0.870 1.811 1.00 0.00 C ATOM 916 CG ARG A 496 103.959 1.325 1.147 1.00 0.00 C ATOM 917 CD ARG A 496 104.200 1.798 -0.278 1.00 0.00 C ATOM 918 NE ARG A 496 103.864 3.210 -0.447 1.00 0.00 N ATOM 919 CZ ARG A 496 104.711 4.202 -0.189 1.00 0.00 C ATOM 920 NH1 ARG A 496 105.934 3.932 0.245 1.00 0.00 N ATOM 921 NH2 ARG A 496 104.337 5.463 -0.364 1.00 0.00 N ATOM 0 H ARG A 496 103.192 0.917 3.255 1.00 0.00 H new ATOM 0 HA ARG A 496 105.227 -1.089 2.697 1.00 0.00 H new ATOM 0 HB2 ARG A 496 105.805 1.746 2.145 1.00 0.00 H new ATOM 0 HB3 ARG A 496 105.868 0.360 1.073 1.00 0.00 H new ATOM 0 HG2 ARG A 496 103.242 0.504 1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 496 103.515 2.133 1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 496 105.246 1.640 -0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 496 103.604 1.198 -0.966 1.00 0.00 H new ATOM 0 HE ARG A 496 102.930 3.447 -0.781 1.00 0.00 H new ATOM 0 HH11 ARG A 496 106.225 2.964 0.381 1.00 0.00 H new ATOM 0 HH12 ARG A 496 106.584 4.692 0.443 1.00 0.00 H new ATOM 0 HH21 ARG A 496 103.397 5.674 -0.698 1.00 0.00 H new ATOM 0 HH22 ARG A 496 104.990 6.221 -0.165 1.00 0.00 H new ATOM 935 N PHE A 497 106.888 -0.606 4.453 1.00 0.00 N ATOM 936 CA PHE A 497 107.868 -0.386 5.511 1.00 0.00 C ATOM 937 C PHE A 497 109.223 -0.015 4.918 1.00 0.00 C ATOM 938 O PHE A 497 109.574 -0.461 3.827 1.00 0.00 O ATOM 939 CB PHE A 497 107.998 -1.638 6.380 1.00 0.00 C ATOM 940 CG PHE A 497 106.800 -1.886 7.249 1.00 0.00 C ATOM 941 CD1 PHE A 497 106.942 -2.081 8.613 1.00 0.00 C ATOM 942 CD2 PHE A 497 105.530 -1.921 6.700 1.00 0.00 C ATOM 943 CE1 PHE A 497 105.838 -2.308 9.413 1.00 0.00 C ATOM 944 CE2 PHE A 497 104.422 -2.149 7.492 1.00 0.00 C ATOM 945 CZ PHE A 497 104.576 -2.342 8.852 1.00 0.00 C ATOM 0 H PHE A 497 106.972 -1.508 3.984 1.00 0.00 H new ATOM 0 HA PHE A 497 107.524 0.441 6.133 1.00 0.00 H new ATOM 0 HB2 PHE A 497 108.156 -2.503 5.736 1.00 0.00 H new ATOM 0 HB3 PHE A 497 108.882 -1.544 7.011 1.00 0.00 H new ATOM 0 HD1 PHE A 497 107.926 -2.055 9.056 1.00 0.00 H new ATOM 0 HD2 PHE A 497 105.404 -1.768 5.638 1.00 0.00 H new ATOM 0 HE1 PHE A 497 105.962 -2.459 10.475 1.00 0.00 H new ATOM 0 HE2 PHE A 497 103.437 -2.176 7.050 1.00 0.00 H new ATOM 0 HZ PHE A 497 103.712 -2.519 9.475 1.00 0.00 H new ATOM 955 N LYS A 498 109.976 0.811 5.633 1.00 0.00 N ATOM 956 CA LYS A 498 111.286 1.245 5.162 1.00 0.00 C ATOM 957 C LYS A 498 112.336 0.151 5.334 1.00 0.00 C ATOM 958 O LYS A 498 113.402 0.207 4.722 1.00 0.00 O ATOM 959 CB LYS A 498 111.727 2.508 5.906 1.00 0.00 C ATOM 960 CG LYS A 498 112.366 3.553 5.006 1.00 0.00 C ATOM 961 CD LYS A 498 113.579 4.190 5.664 1.00 0.00 C ATOM 962 CE LYS A 498 113.449 5.704 5.725 1.00 0.00 C ATOM 963 NZ LYS A 498 113.596 6.329 4.382 1.00 0.00 N ATOM 0 H LYS A 498 109.704 1.193 6.539 1.00 0.00 H new ATOM 0 HA LYS A 498 111.196 1.464 4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 498 110.862 2.948 6.402 1.00 0.00 H new ATOM 0 HB3 LYS A 498 112.435 2.231 6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 498 112.663 3.091 4.064 1.00 0.00 H new ATOM 0 HG3 LYS A 498 111.634 4.324 4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 498 113.698 3.793 6.672 1.00 0.00 H new ATOM 0 HD3 LYS A 498 114.478 3.923 5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 498 112.478 5.968 6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 498 114.207 6.106 6.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 113.501 7.361 4.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 114.532 6.098 3.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 112.858 5.965 3.747 1.00 0.00 H new ATOM 977 N THR A 499 112.039 -0.838 6.172 1.00 0.00 N ATOM 978 CA THR A 499 112.979 -1.928 6.413 1.00 0.00 C ATOM 979 C THR A 499 112.262 -3.256 6.627 1.00 0.00 C ATOM 980 O THR A 499 111.143 -3.299 7.138 1.00 0.00 O ATOM 981 CB THR A 499 113.863 -1.644 7.640 1.00 0.00 C ATOM 982 OG1 THR A 499 113.113 -1.024 8.693 1.00 0.00 O ATOM 983 CG2 THR A 499 115.024 -0.733 7.274 1.00 0.00 C ATOM 0 H THR A 499 111.164 -0.907 6.691 1.00 0.00 H new ATOM 0 HA THR A 499 113.602 -1.998 5.521 1.00 0.00 H new ATOM 0 HB THR A 499 114.242 -2.606 7.985 1.00 0.00 H new ATOM 0 HG1 THR A 499 113.701 -0.858 9.459 1.00 0.00 H new ATOM 0 HG21 THR A 499 115.634 -0.547 8.158 1.00 0.00 H new ATOM 0 HG22 THR A 499 115.633 -1.211 6.507 1.00 0.00 H new ATOM 0 HG23 THR A 499 114.638 0.213 6.894 1.00 0.00 H new ATOM 991 N PRO A 500 112.915 -4.362 6.241 1.00 0.00 N ATOM 992 CA PRO A 500 112.356 -5.709 6.391 1.00 0.00 C ATOM 993 C PRO A 500 112.338 -6.159 7.848 1.00 0.00 C ATOM 994 O PRO A 500 111.382 -6.786 8.302 1.00 0.00 O ATOM 995 CB PRO A 500 113.310 -6.578 5.571 1.00 0.00 C ATOM 996 CG PRO A 500 114.605 -5.845 5.595 1.00 0.00 C ATOM 997 CD PRO A 500 114.256 -4.382 5.631 1.00 0.00 C ATOM 0 HA PRO A 500 111.319 -5.767 6.060 1.00 0.00 H new ATOM 0 HB2 PRO A 500 113.410 -7.573 6.004 1.00 0.00 H new ATOM 0 HB3 PRO A 500 112.948 -6.709 4.551 1.00 0.00 H new ATOM 0 HG2 PRO A 500 115.196 -6.126 6.467 1.00 0.00 H new ATOM 0 HG3 PRO A 500 115.203 -6.081 4.715 1.00 0.00 H new ATOM 0 HD2 PRO A 500 114.974 -3.813 6.222 1.00 0.00 H new ATOM 0 HD3 PRO A 500 114.249 -3.947 4.632 1.00 0.00 H new ATOM 1005 N GLU A 501 113.398 -5.825 8.576 1.00 0.00 N ATOM 1006 CA GLU A 501 113.501 -6.186 9.984 1.00 0.00 C ATOM 1007 C GLU A 501 112.357 -5.568 10.777 1.00 0.00 C ATOM 1008 O GLU A 501 111.807 -6.191 11.685 1.00 0.00 O ATOM 1009 CB GLU A 501 114.842 -5.722 10.553 1.00 0.00 C ATOM 1010 CG GLU A 501 115.272 -4.355 10.047 1.00 0.00 C ATOM 1011 CD GLU A 501 116.297 -3.694 10.948 1.00 0.00 C ATOM 1012 OE1 GLU A 501 117.171 -2.972 10.422 1.00 0.00 O ATOM 1013 OE2 GLU A 501 116.225 -3.895 12.178 1.00 0.00 O ATOM 0 H GLU A 501 114.197 -5.305 8.214 1.00 0.00 H new ATOM 0 HA GLU A 501 113.438 -7.271 10.067 1.00 0.00 H new ATOM 0 HB2 GLU A 501 114.777 -5.695 11.641 1.00 0.00 H new ATOM 0 HB3 GLU A 501 115.609 -6.453 10.298 1.00 0.00 H new ATOM 0 HG2 GLU A 501 115.688 -4.457 9.045 1.00 0.00 H new ATOM 0 HG3 GLU A 501 114.397 -3.711 9.965 1.00 0.00 H new ATOM 1020 N ASP A 502 111.998 -4.339 10.421 1.00 0.00 N ATOM 1021 CA ASP A 502 110.915 -3.633 11.090 1.00 0.00 C ATOM 1022 C ASP A 502 109.594 -4.370 10.894 1.00 0.00 C ATOM 1023 O ASP A 502 108.804 -4.509 11.827 1.00 0.00 O ATOM 1024 CB ASP A 502 110.801 -2.206 10.551 1.00 0.00 C ATOM 1025 CG ASP A 502 111.040 -1.161 11.622 1.00 0.00 C ATOM 1026 OD1 ASP A 502 112.141 -0.572 11.642 1.00 0.00 O ATOM 1027 OD2 ASP A 502 110.125 -0.929 12.440 1.00 0.00 O ATOM 0 H ASP A 502 112.444 -3.811 9.671 1.00 0.00 H new ATOM 0 HA ASP A 502 111.138 -3.593 12.156 1.00 0.00 H new ATOM 0 HB2 ASP A 502 111.521 -2.067 9.745 1.00 0.00 H new ATOM 0 HB3 ASP A 502 109.810 -2.061 10.121 1.00 0.00 H new ATOM 1032 N ALA A 503 109.364 -4.843 9.672 1.00 0.00 N ATOM 1033 CA ALA A 503 108.141 -5.570 9.354 1.00 0.00 C ATOM 1034 C ALA A 503 108.092 -6.907 10.086 1.00 0.00 C ATOM 1035 O ALA A 503 107.052 -7.293 10.621 1.00 0.00 O ATOM 1036 CB ALA A 503 108.012 -5.787 7.855 1.00 0.00 C ATOM 0 H ALA A 503 110.008 -4.736 8.888 1.00 0.00 H new ATOM 0 HA ALA A 503 107.300 -4.963 9.690 1.00 0.00 H new ATOM 0 HB1 ALA A 503 107.092 -6.331 7.644 1.00 0.00 H new ATOM 0 HB2 ALA A 503 107.987 -4.822 7.349 1.00 0.00 H new ATOM 0 HB3 ALA A 503 108.865 -6.363 7.496 1.00 0.00 H new ATOM 1042 N GLN A 504 109.223 -7.609 10.113 1.00 0.00 N ATOM 1043 CA GLN A 504 109.296 -8.900 10.787 1.00 0.00 C ATOM 1044 C GLN A 504 108.839 -8.764 12.233 1.00 0.00 C ATOM 1045 O GLN A 504 108.093 -9.596 12.746 1.00 0.00 O ATOM 1046 CB GLN A 504 110.724 -9.451 10.744 1.00 0.00 C ATOM 1047 CG GLN A 504 110.927 -10.685 11.612 1.00 0.00 C ATOM 1048 CD GLN A 504 112.392 -11.016 11.824 1.00 0.00 C ATOM 1049 OE1 GLN A 504 113.097 -10.322 12.556 1.00 0.00 O ATOM 1050 NE2 GLN A 504 112.856 -12.084 11.184 1.00 0.00 N ATOM 0 H GLN A 504 110.095 -7.307 9.679 1.00 0.00 H new ATOM 0 HA GLN A 504 108.637 -9.596 10.267 1.00 0.00 H new ATOM 0 HB2 GLN A 504 110.979 -9.696 9.713 1.00 0.00 H new ATOM 0 HB3 GLN A 504 111.415 -8.672 11.067 1.00 0.00 H new ATOM 0 HG2 GLN A 504 110.451 -10.526 12.580 1.00 0.00 H new ATOM 0 HG3 GLN A 504 110.430 -11.537 11.148 1.00 0.00 H new ATOM 0 HE21 GLN A 504 112.235 -12.630 10.587 1.00 0.00 H new ATOM 0 HE22 GLN A 504 113.833 -12.357 11.290 1.00 0.00 H new ATOM 1059 N ALA A 505 109.296 -7.704 12.886 1.00 0.00 N ATOM 1060 CA ALA A 505 108.936 -7.450 14.272 1.00 0.00 C ATOM 1061 C ALA A 505 107.443 -7.166 14.405 1.00 0.00 C ATOM 1062 O ALA A 505 106.808 -7.583 15.372 1.00 0.00 O ATOM 1063 CB ALA A 505 109.744 -6.290 14.836 1.00 0.00 C ATOM 0 H ALA A 505 109.917 -7.006 12.477 1.00 0.00 H new ATOM 0 HA ALA A 505 109.168 -8.347 14.846 1.00 0.00 H new ATOM 0 HB1 ALA A 505 109.458 -6.118 15.874 1.00 0.00 H new ATOM 0 HB2 ALA A 505 110.806 -6.529 14.787 1.00 0.00 H new ATOM 0 HB3 ALA A 505 109.547 -5.391 14.252 1.00 0.00 H new ATOM 1069 N VAL A 506 106.890 -6.439 13.435 1.00 0.00 N ATOM 1070 CA VAL A 506 105.474 -6.090 13.460 1.00 0.00 C ATOM 1071 C VAL A 506 104.575 -7.308 13.263 1.00 0.00 C ATOM 1072 O VAL A 506 103.572 -7.460 13.958 1.00 0.00 O ATOM 1073 CB VAL A 506 105.137 -5.051 12.376 1.00 0.00 C ATOM 1074 CG1 VAL A 506 103.720 -4.529 12.560 1.00 0.00 C ATOM 1075 CG2 VAL A 506 106.143 -3.911 12.396 1.00 0.00 C ATOM 0 H VAL A 506 107.400 -6.083 12.627 1.00 0.00 H new ATOM 0 HA VAL A 506 105.285 -5.670 14.448 1.00 0.00 H new ATOM 0 HB VAL A 506 105.196 -5.536 11.402 1.00 0.00 H new ATOM 0 HG11 VAL A 506 103.499 -3.795 11.785 1.00 0.00 H new ATOM 0 HG12 VAL A 506 103.015 -5.357 12.488 1.00 0.00 H new ATOM 0 HG13 VAL A 506 103.629 -4.060 13.540 1.00 0.00 H new ATOM 0 HG21 VAL A 506 105.888 -3.187 11.622 1.00 0.00 H new ATOM 0 HG22 VAL A 506 106.121 -3.424 13.371 1.00 0.00 H new ATOM 0 HG23 VAL A 506 107.142 -4.304 12.209 1.00 0.00 H new ATOM 1085 N ILE A 507 104.924 -8.169 12.311 1.00 0.00 N ATOM 1086 CA ILE A 507 104.124 -9.358 12.042 1.00 0.00 C ATOM 1087 C ILE A 507 104.178 -10.340 13.206 1.00 0.00 C ATOM 1088 O ILE A 507 103.187 -10.996 13.523 1.00 0.00 O ATOM 1089 CB ILE A 507 104.567 -10.075 10.754 1.00 0.00 C ATOM 1090 CG1 ILE A 507 106.045 -10.450 10.825 1.00 0.00 C ATOM 1091 CG2 ILE A 507 104.294 -9.206 9.536 1.00 0.00 C ATOM 1092 CD1 ILE A 507 106.321 -11.885 10.441 1.00 0.00 C ATOM 0 H ILE A 507 105.748 -8.067 11.718 1.00 0.00 H new ATOM 0 HA ILE A 507 103.099 -9.011 11.911 1.00 0.00 H new ATOM 0 HB ILE A 507 103.986 -10.992 10.658 1.00 0.00 H new ATOM 0 HG12 ILE A 507 106.611 -9.791 10.167 1.00 0.00 H new ATOM 0 HG13 ILE A 507 106.407 -10.277 11.838 1.00 0.00 H new ATOM 0 HG21 ILE A 507 104.614 -9.730 8.636 1.00 0.00 H new ATOM 0 HG22 ILE A 507 103.227 -8.994 9.472 1.00 0.00 H new ATOM 0 HG23 ILE A 507 104.845 -8.270 9.626 1.00 0.00 H new ATOM 0 HD11 ILE A 507 107.391 -12.082 10.514 1.00 0.00 H new ATOM 0 HD12 ILE A 507 105.782 -12.552 11.114 1.00 0.00 H new ATOM 0 HD13 ILE A 507 105.989 -12.058 9.417 1.00 0.00 H new ATOM 1104 N ASN A 508 105.335 -10.418 13.853 1.00 0.00 N ATOM 1105 CA ASN A 508 105.504 -11.302 14.998 1.00 0.00 C ATOM 1106 C ASN A 508 104.722 -10.763 16.188 1.00 0.00 C ATOM 1107 O ASN A 508 104.100 -11.514 16.939 1.00 0.00 O ATOM 1108 CB ASN A 508 106.985 -11.438 15.364 1.00 0.00 C ATOM 1109 CG ASN A 508 107.777 -12.183 14.309 1.00 0.00 C ATOM 1110 OD1 ASN A 508 107.306 -13.168 13.742 1.00 0.00 O ATOM 1111 ND2 ASN A 508 108.991 -11.716 14.042 1.00 0.00 N ATOM 0 H ASN A 508 106.166 -9.882 13.605 1.00 0.00 H new ATOM 0 HA ASN A 508 105.123 -12.288 14.733 1.00 0.00 H new ATOM 0 HB2 ASN A 508 107.414 -10.446 15.503 1.00 0.00 H new ATOM 0 HB3 ASN A 508 107.074 -11.960 16.317 1.00 0.00 H new ATOM 0 HD21 ASN A 508 109.572 -12.177 13.342 1.00 0.00 H new ATOM 0 HD22 ASN A 508 109.342 -10.896 14.536 1.00 0.00 H new ATOM 1118 N ALA A 509 104.768 -9.447 16.341 1.00 0.00 N ATOM 1119 CA ALA A 509 104.078 -8.765 17.429 1.00 0.00 C ATOM 1120 C ALA A 509 102.580 -8.672 17.167 1.00 0.00 C ATOM 1121 O ALA A 509 101.782 -8.555 18.097 1.00 0.00 O ATOM 1122 CB ALA A 509 104.650 -7.372 17.642 1.00 0.00 C ATOM 0 H ALA A 509 105.282 -8.824 15.718 1.00 0.00 H new ATOM 0 HA ALA A 509 104.233 -9.356 18.332 1.00 0.00 H new ATOM 0 HB1 ALA A 509 104.120 -6.882 18.459 1.00 0.00 H new ATOM 0 HB2 ALA A 509 105.709 -7.447 17.890 1.00 0.00 H new ATOM 0 HB3 ALA A 509 104.532 -6.787 16.730 1.00 0.00 H new ATOM 1128 N TYR A 510 102.209 -8.696 15.893 1.00 0.00 N ATOM 1129 CA TYR A 510 100.810 -8.582 15.504 1.00 0.00 C ATOM 1130 C TYR A 510 99.958 -9.691 16.095 1.00 0.00 C ATOM 1131 O TYR A 510 98.734 -9.571 16.154 1.00 0.00 O ATOM 1132 CB TYR A 510 100.671 -8.576 13.989 1.00 0.00 C ATOM 1133 CG TYR A 510 100.129 -7.270 13.464 1.00 0.00 C ATOM 1134 CD1 TYR A 510 99.247 -7.232 12.391 1.00 0.00 C ATOM 1135 CD2 TYR A 510 100.498 -6.070 14.055 1.00 0.00 C ATOM 1136 CE1 TYR A 510 98.751 -6.032 11.920 1.00 0.00 C ATOM 1137 CE2 TYR A 510 100.006 -4.866 13.591 1.00 0.00 C ATOM 1138 CZ TYR A 510 99.132 -4.851 12.523 1.00 0.00 C ATOM 1139 OH TYR A 510 98.639 -3.654 12.059 1.00 0.00 O ATOM 0 H TYR A 510 102.858 -8.793 15.112 1.00 0.00 H new ATOM 0 HA TYR A 510 100.448 -7.635 15.904 1.00 0.00 H new ATOM 0 HB2 TYR A 510 101.644 -8.770 13.537 1.00 0.00 H new ATOM 0 HB3 TYR A 510 100.011 -9.388 13.685 1.00 0.00 H new ATOM 0 HD1 TYR A 510 98.945 -8.155 11.918 1.00 0.00 H new ATOM 0 HD2 TYR A 510 101.181 -6.078 14.891 1.00 0.00 H new ATOM 0 HE1 TYR A 510 98.068 -6.018 11.083 1.00 0.00 H new ATOM 0 HE2 TYR A 510 100.304 -3.941 14.062 1.00 0.00 H new ATOM 0 HH TYR A 510 97.697 -3.567 12.314 1.00 0.00 H new ATOM 1149 N THR A 511 100.592 -10.760 16.554 1.00 0.00 N ATOM 1150 CA THR A 511 99.849 -11.852 17.157 1.00 0.00 C ATOM 1151 C THR A 511 98.998 -11.303 18.289 1.00 0.00 C ATOM 1152 O THR A 511 97.878 -11.756 18.531 1.00 0.00 O ATOM 1153 CB THR A 511 100.788 -12.941 17.711 1.00 0.00 C ATOM 1154 OG1 THR A 511 100.061 -13.934 18.446 1.00 0.00 O ATOM 1155 CG2 THR A 511 101.835 -12.333 18.630 1.00 0.00 C ATOM 0 H THR A 511 101.603 -10.893 16.521 1.00 0.00 H new ATOM 0 HA THR A 511 99.224 -12.306 16.388 1.00 0.00 H new ATOM 0 HB THR A 511 101.272 -13.409 16.854 1.00 0.00 H new ATOM 0 HG1 THR A 511 100.683 -14.612 18.784 1.00 0.00 H new ATOM 0 HG21 THR A 511 102.487 -13.120 19.010 1.00 0.00 H new ATOM 0 HG22 THR A 511 102.428 -11.606 18.075 1.00 0.00 H new ATOM 0 HG23 THR A 511 101.342 -11.836 19.465 1.00 0.00 H new ATOM 1163 N GLU A 512 99.558 -10.316 18.979 1.00 0.00 N ATOM 1164 CA GLU A 512 98.884 -9.672 20.100 1.00 0.00 C ATOM 1165 C GLU A 512 97.539 -9.100 19.673 1.00 0.00 C ATOM 1166 O GLU A 512 96.552 -9.193 20.405 1.00 0.00 O ATOM 1167 CB GLU A 512 99.767 -8.563 20.673 1.00 0.00 C ATOM 1168 CG GLU A 512 99.038 -7.637 21.633 1.00 0.00 C ATOM 1169 CD GLU A 512 99.826 -6.379 21.937 1.00 0.00 C ATOM 1170 OE1 GLU A 512 99.777 -5.436 21.120 1.00 0.00 O ATOM 1171 OE2 GLU A 512 100.494 -6.336 22.992 1.00 0.00 O ATOM 0 H GLU A 512 100.486 -9.942 18.779 1.00 0.00 H new ATOM 0 HA GLU A 512 98.706 -10.424 20.869 1.00 0.00 H new ATOM 0 HB2 GLU A 512 100.613 -9.015 21.190 1.00 0.00 H new ATOM 0 HB3 GLU A 512 100.174 -7.973 19.851 1.00 0.00 H new ATOM 0 HG2 GLU A 512 98.073 -7.363 21.206 1.00 0.00 H new ATOM 0 HG3 GLU A 512 98.836 -8.169 22.563 1.00 0.00 H new ATOM 1178 N ILE A 513 97.504 -8.507 18.484 1.00 0.00 N ATOM 1179 CA ILE A 513 96.277 -7.921 17.961 1.00 0.00 C ATOM 1180 C ILE A 513 95.080 -8.817 18.258 1.00 0.00 C ATOM 1181 O ILE A 513 94.028 -8.343 18.688 1.00 0.00 O ATOM 1182 CB ILE A 513 96.368 -7.682 16.440 1.00 0.00 C ATOM 1183 CG1 ILE A 513 97.582 -6.811 16.111 1.00 0.00 C ATOM 1184 CG2 ILE A 513 95.090 -7.035 15.925 1.00 0.00 C ATOM 1185 CD1 ILE A 513 97.503 -5.418 16.697 1.00 0.00 C ATOM 0 H ILE A 513 98.311 -8.420 17.866 1.00 0.00 H new ATOM 0 HA ILE A 513 96.144 -6.960 18.458 1.00 0.00 H new ATOM 0 HB ILE A 513 96.489 -8.645 15.944 1.00 0.00 H new ATOM 0 HG12 ILE A 513 98.482 -7.302 16.481 1.00 0.00 H new ATOM 0 HG13 ILE A 513 97.682 -6.736 15.028 1.00 0.00 H new ATOM 0 HG21 ILE A 513 95.172 -6.874 14.850 1.00 0.00 H new ATOM 0 HG22 ILE A 513 94.243 -7.689 16.130 1.00 0.00 H new ATOM 0 HG23 ILE A 513 94.939 -6.078 16.425 1.00 0.00 H new ATOM 0 HD11 ILE A 513 98.397 -4.857 16.424 1.00 0.00 H new ATOM 0 HD12 ILE A 513 96.622 -4.909 16.307 1.00 0.00 H new ATOM 0 HD13 ILE A 513 97.434 -5.483 17.783 1.00 0.00 H new ATOM 1197 N ASN A 514 95.248 -10.116 18.026 1.00 0.00 N ATOM 1198 CA ASN A 514 94.183 -11.082 18.270 1.00 0.00 C ATOM 1199 C ASN A 514 93.511 -10.831 19.617 1.00 0.00 C ATOM 1200 O ASN A 514 92.332 -11.132 19.797 1.00 0.00 O ATOM 1201 CB ASN A 514 94.741 -12.506 18.224 1.00 0.00 C ATOM 1202 CG ASN A 514 93.666 -13.554 18.432 1.00 0.00 C ATOM 1203 OD1 ASN A 514 93.877 -14.548 19.128 1.00 0.00 O ATOM 1204 ND2 ASN A 514 92.505 -13.338 17.826 1.00 0.00 N ATOM 0 H ASN A 514 96.112 -10.523 17.669 1.00 0.00 H new ATOM 0 HA ASN A 514 93.435 -10.963 17.487 1.00 0.00 H new ATOM 0 HB2 ASN A 514 95.226 -12.673 17.262 1.00 0.00 H new ATOM 0 HB3 ASN A 514 95.507 -12.618 18.991 1.00 0.00 H new ATOM 0 HD21 ASN A 514 91.744 -14.009 17.928 1.00 0.00 H new ATOM 0 HD22 ASN A 514 92.374 -12.501 17.259 1.00 0.00 H new ATOM 1211 N LYS A 515 94.268 -10.277 20.559 1.00 0.00 N ATOM 1212 CA LYS A 515 93.739 -9.987 21.887 1.00 0.00 C ATOM 1213 C LYS A 515 92.382 -9.297 21.789 1.00 0.00 C ATOM 1214 O LYS A 515 91.555 -9.398 22.695 1.00 0.00 O ATOM 1215 CB LYS A 515 94.716 -9.107 22.669 1.00 0.00 C ATOM 1216 CG LYS A 515 94.838 -7.696 22.117 1.00 0.00 C ATOM 1217 CD LYS A 515 94.325 -6.664 23.107 1.00 0.00 C ATOM 1218 CE LYS A 515 95.124 -5.374 23.029 1.00 0.00 C ATOM 1219 NZ LYS A 515 95.258 -4.887 21.629 1.00 0.00 N ATOM 0 H LYS A 515 95.247 -10.021 20.428 1.00 0.00 H new ATOM 0 HA LYS A 515 93.612 -10.932 22.415 1.00 0.00 H new ATOM 0 HB2 LYS A 515 94.393 -9.055 23.709 1.00 0.00 H new ATOM 0 HB3 LYS A 515 95.700 -9.577 22.664 1.00 0.00 H new ATOM 0 HG2 LYS A 515 95.881 -7.486 21.879 1.00 0.00 H new ATOM 0 HG3 LYS A 515 94.277 -7.619 21.186 1.00 0.00 H new ATOM 0 HD2 LYS A 515 93.274 -6.455 22.905 1.00 0.00 H new ATOM 0 HD3 LYS A 515 94.382 -7.068 24.118 1.00 0.00 H new ATOM 0 HE2 LYS A 515 94.638 -4.609 23.634 1.00 0.00 H new ATOM 0 HE3 LYS A 515 96.115 -5.535 23.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 515 95.578 -3.897 21.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 515 95.953 -5.472 21.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 515 94.337 -4.950 21.150 1.00 0.00 H new ATOM 1233 N LYS A 516 92.161 -8.603 20.678 1.00 0.00 N ATOM 1234 CA LYS A 516 90.905 -7.902 20.450 1.00 0.00 C ATOM 1235 C LYS A 516 90.275 -8.345 19.135 1.00 0.00 C ATOM 1236 O LYS A 516 89.056 -8.481 19.032 1.00 0.00 O ATOM 1237 CB LYS A 516 91.132 -6.389 20.439 1.00 0.00 C ATOM 1238 CG LYS A 516 89.855 -5.583 20.609 1.00 0.00 C ATOM 1239 CD LYS A 516 89.426 -5.514 22.066 1.00 0.00 C ATOM 1240 CE LYS A 516 88.674 -6.767 22.487 1.00 0.00 C ATOM 1241 NZ LYS A 516 87.654 -6.477 23.532 1.00 0.00 N ATOM 0 H LYS A 516 92.838 -8.511 19.920 1.00 0.00 H new ATOM 0 HA LYS A 516 90.224 -8.149 21.264 1.00 0.00 H new ATOM 0 HB2 LYS A 516 91.826 -6.128 21.238 1.00 0.00 H new ATOM 0 HB3 LYS A 516 91.607 -6.108 19.499 1.00 0.00 H new ATOM 0 HG2 LYS A 516 90.007 -4.574 20.226 1.00 0.00 H new ATOM 0 HG3 LYS A 516 89.059 -6.032 20.016 1.00 0.00 H new ATOM 0 HD2 LYS A 516 90.304 -5.386 22.699 1.00 0.00 H new ATOM 0 HD3 LYS A 516 88.793 -4.640 22.219 1.00 0.00 H new ATOM 0 HE2 LYS A 516 88.187 -7.208 21.617 1.00 0.00 H new ATOM 0 HE3 LYS A 516 89.381 -7.505 22.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 87.163 -7.356 23.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 88.121 -6.080 24.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 86.964 -5.792 23.163 1.00 0.00 H new ATOM 1255 N HIS A 517 91.117 -8.573 18.132 1.00 0.00 N ATOM 1256 CA HIS A 517 90.649 -9.006 16.820 1.00 0.00 C ATOM 1257 C HIS A 517 91.740 -9.780 16.089 1.00 0.00 C ATOM 1258 O HIS A 517 92.879 -9.323 15.990 1.00 0.00 O ATOM 1259 CB HIS A 517 90.215 -7.802 15.985 1.00 0.00 C ATOM 1260 CG HIS A 517 89.756 -6.638 16.806 1.00 0.00 C ATOM 1261 ND1 HIS A 517 88.427 -6.378 17.067 1.00 0.00 N ATOM 1262 CD2 HIS A 517 90.457 -5.660 17.429 1.00 0.00 C ATOM 1263 CE1 HIS A 517 88.331 -5.292 17.813 1.00 0.00 C ATOM 1264 NE2 HIS A 517 89.547 -4.838 18.048 1.00 0.00 N ATOM 0 H HIS A 517 92.129 -8.465 18.203 1.00 0.00 H new ATOM 0 HA HIS A 517 89.792 -9.663 16.964 1.00 0.00 H new ATOM 0 HB2 HIS A 517 91.048 -7.487 15.357 1.00 0.00 H new ATOM 0 HB3 HIS A 517 89.409 -8.105 15.317 1.00 0.00 H new ATOM 0 HD1 HIS A 517 87.641 -6.937 16.736 1.00 0.00 H new ATOM 0 HD2 HIS A 517 91.531 -5.548 17.437 1.00 0.00 H new ATOM 0 HE1 HIS A 517 87.412 -4.851 18.170 1.00 0.00 H new ATOM 1273 N CYS A 518 91.386 -10.954 15.577 1.00 0.00 N ATOM 1274 CA CYS A 518 92.337 -11.789 14.855 1.00 0.00 C ATOM 1275 C CYS A 518 92.789 -11.105 13.569 1.00 0.00 C ATOM 1276 O CYS A 518 92.097 -11.156 12.552 1.00 0.00 O ATOM 1277 CB CYS A 518 91.715 -13.148 14.534 1.00 0.00 C ATOM 1278 SG CYS A 518 92.909 -14.502 14.432 1.00 0.00 S ATOM 0 H CYS A 518 90.448 -11.348 15.649 1.00 0.00 H new ATOM 0 HA CYS A 518 93.209 -11.940 15.492 1.00 0.00 H new ATOM 0 HB2 CYS A 518 90.976 -13.387 15.299 1.00 0.00 H new ATOM 0 HB3 CYS A 518 91.181 -13.076 13.586 1.00 0.00 H new ATOM 0 HG CYS A 518 92.286 -15.610 14.159 1.00 0.00 H new ATOM 1284 N TRP A 519 93.951 -10.459 13.620 1.00 0.00 N ATOM 1285 CA TRP A 519 94.482 -9.764 12.455 1.00 0.00 C ATOM 1286 C TRP A 519 95.598 -10.557 11.790 1.00 0.00 C ATOM 1287 O TRP A 519 96.346 -11.280 12.449 1.00 0.00 O ATOM 1288 CB TRP A 519 94.982 -8.373 12.837 1.00 0.00 C ATOM 1289 CG TRP A 519 94.586 -7.327 11.846 1.00 0.00 C ATOM 1290 CD1 TRP A 519 93.858 -7.519 10.706 1.00 0.00 C ATOM 1291 CD2 TRP A 519 94.892 -5.930 11.897 1.00 0.00 C ATOM 1292 NE1 TRP A 519 93.691 -6.332 10.047 1.00 0.00 N ATOM 1293 CE2 TRP A 519 94.316 -5.337 10.757 1.00 0.00 C ATOM 1294 CE3 TRP A 519 95.595 -5.123 12.795 1.00 0.00 C ATOM 1295 CZ2 TRP A 519 94.424 -3.972 10.495 1.00 0.00 C ATOM 1296 CZ3 TRP A 519 95.702 -3.771 12.533 1.00 0.00 C ATOM 1297 CH2 TRP A 519 95.117 -3.207 11.392 1.00 0.00 C ATOM 0 H TRP A 519 94.539 -10.403 14.452 1.00 0.00 H new ATOM 0 HA TRP A 519 93.667 -9.662 11.738 1.00 0.00 H new ATOM 0 HB2 TRP A 519 94.588 -8.106 13.818 1.00 0.00 H new ATOM 0 HB3 TRP A 519 96.068 -8.393 12.924 1.00 0.00 H new ATOM 0 HD1 TRP A 519 93.470 -8.471 10.373 1.00 0.00 H new ATOM 0 HE1 TRP A 519 93.184 -6.207 9.171 1.00 0.00 H new ATOM 0 HE3 TRP A 519 96.047 -5.549 13.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 93.976 -3.534 9.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 96.246 -3.138 13.219 1.00 0.00 H new ATOM 0 HH2 TRP A 519 95.215 -2.146 11.217 1.00 0.00 H new ATOM 1308 N LYS A 520 95.687 -10.421 10.472 1.00 0.00 N ATOM 1309 CA LYS A 520 96.691 -11.123 9.685 1.00 0.00 C ATOM 1310 C LYS A 520 97.758 -10.170 9.150 1.00 0.00 C ATOM 1311 O LYS A 520 97.443 -9.091 8.648 1.00 0.00 O ATOM 1312 CB LYS A 520 96.013 -11.830 8.518 1.00 0.00 C ATOM 1313 CG LYS A 520 94.639 -12.382 8.857 1.00 0.00 C ATOM 1314 CD LYS A 520 94.735 -13.589 9.778 1.00 0.00 C ATOM 1315 CE LYS A 520 93.978 -13.363 11.077 1.00 0.00 C ATOM 1316 NZ LYS A 520 92.599 -12.853 10.837 1.00 0.00 N ATOM 0 H LYS A 520 95.069 -9.824 9.922 1.00 0.00 H new ATOM 0 HA LYS A 520 97.183 -11.847 10.334 1.00 0.00 H new ATOM 0 HB2 LYS A 520 95.920 -11.132 7.686 1.00 0.00 H new ATOM 0 HB3 LYS A 520 96.650 -12.647 8.179 1.00 0.00 H new ATOM 0 HG2 LYS A 520 94.041 -11.605 9.334 1.00 0.00 H new ATOM 0 HG3 LYS A 520 94.122 -12.663 7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 520 94.335 -14.467 9.271 1.00 0.00 H new ATOM 0 HD3 LYS A 520 95.782 -13.797 9.998 1.00 0.00 H new ATOM 0 HE2 LYS A 520 93.927 -14.298 11.634 1.00 0.00 H new ATOM 0 HE3 LYS A 520 94.525 -12.652 11.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 520 92.487 -11.926 11.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 520 92.438 -12.756 9.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 520 91.908 -13.521 11.235 1.00 0.00 H new ATOM 1330 N LEU A 521 99.019 -10.582 9.248 1.00 0.00 N ATOM 1331 CA LEU A 521 100.128 -9.770 8.759 1.00 0.00 C ATOM 1332 C LEU A 521 101.143 -10.631 8.008 1.00 0.00 C ATOM 1333 O LEU A 521 101.810 -11.480 8.599 1.00 0.00 O ATOM 1334 CB LEU A 521 100.814 -9.046 9.918 1.00 0.00 C ATOM 1335 CG LEU A 521 101.295 -7.628 9.601 1.00 0.00 C ATOM 1336 CD1 LEU A 521 100.187 -6.821 8.941 1.00 0.00 C ATOM 1337 CD2 LEU A 521 101.780 -6.933 10.864 1.00 0.00 C ATOM 0 H LEU A 521 99.298 -11.472 9.661 1.00 0.00 H new ATOM 0 HA LEU A 521 99.724 -9.029 8.069 1.00 0.00 H new ATOM 0 HB2 LEU A 521 100.121 -8.999 10.758 1.00 0.00 H new ATOM 0 HB3 LEU A 521 101.669 -9.639 10.242 1.00 0.00 H new ATOM 0 HG LEU A 521 102.130 -7.698 8.904 1.00 0.00 H new ATOM 0 HD11 LEU A 521 100.549 -5.816 8.724 1.00 0.00 H new ATOM 0 HD12 LEU A 521 99.886 -7.307 8.013 1.00 0.00 H new ATOM 0 HD13 LEU A 521 99.331 -6.761 9.613 1.00 0.00 H new ATOM 0 HD21 LEU A 521 102.118 -5.926 10.618 1.00 0.00 H new ATOM 0 HD22 LEU A 521 100.964 -6.876 11.584 1.00 0.00 H new ATOM 0 HD23 LEU A 521 102.606 -7.498 11.296 1.00 0.00 H new ATOM 1349 N GLU A 522 101.254 -10.407 6.701 1.00 0.00 N ATOM 1350 CA GLU A 522 102.188 -11.161 5.868 1.00 0.00 C ATOM 1351 C GLU A 522 103.078 -10.220 5.060 1.00 0.00 C ATOM 1352 O GLU A 522 102.603 -9.237 4.496 1.00 0.00 O ATOM 1353 CB GLU A 522 101.425 -12.093 4.924 1.00 0.00 C ATOM 1354 CG GLU A 522 102.015 -13.492 4.839 1.00 0.00 C ATOM 1355 CD GLU A 522 101.957 -14.064 3.435 1.00 0.00 C ATOM 1356 OE1 GLU A 522 101.718 -15.283 3.299 1.00 0.00 O ATOM 1357 OE2 GLU A 522 102.150 -13.294 2.471 1.00 0.00 O ATOM 0 H GLU A 522 100.709 -9.709 6.195 1.00 0.00 H new ATOM 0 HA GLU A 522 102.821 -11.758 6.525 1.00 0.00 H new ATOM 0 HB2 GLU A 522 100.389 -12.164 5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 522 101.410 -11.653 3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 522 103.052 -13.466 5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 522 101.476 -14.152 5.519 1.00 0.00 H new ATOM 1364 N ILE A 523 104.371 -10.528 5.009 1.00 0.00 N ATOM 1365 CA ILE A 523 105.323 -9.705 4.269 1.00 0.00 C ATOM 1366 C ILE A 523 105.452 -10.178 2.821 1.00 0.00 C ATOM 1367 O ILE A 523 105.844 -11.316 2.561 1.00 0.00 O ATOM 1368 CB ILE A 523 106.713 -9.716 4.939 1.00 0.00 C ATOM 1369 CG1 ILE A 523 106.665 -8.960 6.268 1.00 0.00 C ATOM 1370 CG2 ILE A 523 107.755 -9.104 4.013 1.00 0.00 C ATOM 1371 CD1 ILE A 523 107.840 -9.257 7.176 1.00 0.00 C ATOM 0 H ILE A 523 104.783 -11.339 5.470 1.00 0.00 H new ATOM 0 HA ILE A 523 104.937 -8.686 4.276 1.00 0.00 H new ATOM 0 HB ILE A 523 106.996 -10.750 5.138 1.00 0.00 H new ATOM 0 HG12 ILE A 523 106.634 -7.889 6.067 1.00 0.00 H new ATOM 0 HG13 ILE A 523 105.741 -9.214 6.788 1.00 0.00 H new ATOM 0 HG21 ILE A 523 108.730 -9.120 4.501 1.00 0.00 H new ATOM 0 HG22 ILE A 523 107.803 -9.679 3.088 1.00 0.00 H new ATOM 0 HG23 ILE A 523 107.480 -8.074 3.786 1.00 0.00 H new ATOM 0 HD11 ILE A 523 107.740 -8.687 8.099 1.00 0.00 H new ATOM 0 HD12 ILE A 523 107.861 -10.322 7.408 1.00 0.00 H new ATOM 0 HD13 ILE A 523 108.767 -8.977 6.675 1.00 0.00 H new ATOM 1383 N LEU A 524 105.112 -9.294 1.885 1.00 0.00 N ATOM 1384 CA LEU A 524 105.179 -9.614 0.460 1.00 0.00 C ATOM 1385 C LEU A 524 106.605 -9.931 0.020 1.00 0.00 C ATOM 1386 O LEU A 524 107.555 -9.256 0.419 1.00 0.00 O ATOM 1387 CB LEU A 524 104.628 -8.455 -0.370 1.00 0.00 C ATOM 1388 CG LEU A 524 103.146 -8.567 -0.728 1.00 0.00 C ATOM 1389 CD1 LEU A 524 102.926 -9.678 -1.742 1.00 0.00 C ATOM 1390 CD2 LEU A 524 102.316 -8.809 0.523 1.00 0.00 C ATOM 0 H LEU A 524 104.787 -8.349 2.088 1.00 0.00 H new ATOM 0 HA LEU A 524 104.569 -10.502 0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 524 104.785 -7.527 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 524 105.205 -8.381 -1.292 1.00 0.00 H new ATOM 0 HG LEU A 524 102.825 -7.627 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 524 101.866 -9.744 -1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 524 103.493 -9.462 -2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 524 103.261 -10.626 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 524 101.263 -8.886 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 524 102.637 -9.735 0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 524 102.452 -7.979 1.216 1.00 0.00 H new ATOM 1402 N SER A 525 106.746 -10.970 -0.796 1.00 0.00 N ATOM 1403 CA SER A 525 108.055 -11.392 -1.285 1.00 0.00 C ATOM 1404 C SER A 525 107.958 -12.001 -2.681 1.00 0.00 C ATOM 1405 O SER A 525 106.881 -12.395 -3.128 1.00 0.00 O ATOM 1406 CB SER A 525 108.690 -12.395 -0.320 1.00 0.00 C ATOM 1407 OG SER A 525 108.311 -13.721 -0.641 1.00 0.00 O ATOM 0 H SER A 525 105.968 -11.537 -1.134 1.00 0.00 H new ATOM 0 HA SER A 525 108.686 -10.505 -1.344 1.00 0.00 H new ATOM 0 HB2 SER A 525 109.776 -12.304 -0.359 1.00 0.00 H new ATOM 0 HB3 SER A 525 108.387 -12.164 0.701 1.00 0.00 H new ATOM 0 HG SER A 525 108.731 -14.343 -0.011 1.00 0.00 H new ATOM 1413 N GLY A 526 109.101 -12.080 -3.356 1.00 0.00 N ATOM 1414 CA GLY A 526 109.144 -12.651 -4.689 1.00 0.00 C ATOM 1415 C GLY A 526 108.163 -11.998 -5.638 1.00 0.00 C ATOM 1416 O GLY A 526 107.695 -10.886 -5.392 1.00 0.00 O ATOM 0 H GLY A 526 110.001 -11.757 -3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 526 110.153 -12.550 -5.090 1.00 0.00 H new ATOM 0 HA3 GLY A 526 108.930 -13.718 -4.629 1.00 0.00 H new ATOM 1420 N ASP A 527 107.852 -12.690 -6.730 1.00 0.00 N ATOM 1421 CA ASP A 527 106.921 -12.169 -7.718 1.00 0.00 C ATOM 1422 C ASP A 527 105.758 -11.461 -7.034 1.00 0.00 C ATOM 1423 O ASP A 527 105.193 -10.510 -7.575 1.00 0.00 O ATOM 1424 CB ASP A 527 106.398 -13.304 -8.601 1.00 0.00 C ATOM 1425 CG ASP A 527 107.332 -13.618 -9.753 1.00 0.00 C ATOM 1426 OD1 ASP A 527 108.285 -14.400 -9.547 1.00 0.00 O ATOM 1427 OD2 ASP A 527 107.112 -13.084 -10.860 1.00 0.00 O ATOM 0 H ASP A 527 108.232 -13.611 -6.950 1.00 0.00 H new ATOM 0 HA ASP A 527 107.448 -11.448 -8.343 1.00 0.00 H new ATOM 0 HB2 ASP A 527 106.261 -14.199 -7.994 1.00 0.00 H new ATOM 0 HB3 ASP A 527 105.419 -13.032 -8.995 1.00 0.00 H new ATOM 1432 N HIS A 528 105.407 -11.927 -5.839 1.00 0.00 N ATOM 1433 CA HIS A 528 104.316 -11.332 -5.082 1.00 0.00 C ATOM 1434 C HIS A 528 104.645 -9.895 -4.690 1.00 0.00 C ATOM 1435 O HIS A 528 103.819 -8.996 -4.843 1.00 0.00 O ATOM 1436 CB HIS A 528 104.022 -12.161 -3.831 1.00 0.00 C ATOM 1437 CG HIS A 528 102.560 -12.318 -3.549 1.00 0.00 C ATOM 1438 ND1 HIS A 528 102.068 -12.756 -2.337 1.00 0.00 N ATOM 1439 CD2 HIS A 528 101.478 -12.095 -4.333 1.00 0.00 C ATOM 1440 CE1 HIS A 528 100.749 -12.799 -2.388 1.00 0.00 C ATOM 1441 NE2 HIS A 528 100.366 -12.402 -3.588 1.00 0.00 N ATOM 0 H HIS A 528 105.863 -12.714 -5.377 1.00 0.00 H new ATOM 0 HA HIS A 528 103.430 -11.322 -5.717 1.00 0.00 H new ATOM 0 HB2 HIS A 528 104.470 -13.148 -3.945 1.00 0.00 H new ATOM 0 HB3 HIS A 528 104.501 -11.691 -2.972 1.00 0.00 H new ATOM 0 HD2 HIS A 528 101.488 -11.742 -5.354 1.00 0.00 H new ATOM 0 HE1 HIS A 528 100.095 -13.106 -1.585 1.00 0.00 H new ATOM 0 HE2 HIS A 528 99.400 -12.334 -3.909 1.00 0.00 H new ATOM 1450 N GLU A 529 105.862 -9.684 -4.189 1.00 0.00 N ATOM 1451 CA GLU A 529 106.290 -8.349 -3.788 1.00 0.00 C ATOM 1452 C GLU A 529 106.403 -7.443 -5.008 1.00 0.00 C ATOM 1453 O GLU A 529 105.933 -6.304 -4.999 1.00 0.00 O ATOM 1454 CB GLU A 529 107.632 -8.422 -3.044 1.00 0.00 C ATOM 1455 CG GLU A 529 108.846 -8.143 -3.920 1.00 0.00 C ATOM 1456 CD GLU A 529 110.157 -8.352 -3.188 1.00 0.00 C ATOM 1457 OE1 GLU A 529 110.737 -9.451 -3.312 1.00 0.00 O ATOM 1458 OE2 GLU A 529 110.604 -7.416 -2.492 1.00 0.00 O ATOM 0 H GLU A 529 106.561 -10.414 -4.053 1.00 0.00 H new ATOM 0 HA GLU A 529 105.544 -7.929 -3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 529 107.619 -7.706 -2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 529 107.737 -9.413 -2.602 1.00 0.00 H new ATOM 0 HG2 GLU A 529 108.815 -8.793 -4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 529 108.798 -7.117 -4.284 1.00 0.00 H new ATOM 1465 N GLN A 530 107.023 -7.966 -6.059 1.00 0.00 N ATOM 1466 CA GLN A 530 107.192 -7.217 -7.298 1.00 0.00 C ATOM 1467 C GLN A 530 105.838 -6.900 -7.930 1.00 0.00 C ATOM 1468 O GLN A 530 105.634 -5.821 -8.487 1.00 0.00 O ATOM 1469 CB GLN A 530 108.072 -8.000 -8.282 1.00 0.00 C ATOM 1470 CG GLN A 530 107.290 -8.853 -9.271 1.00 0.00 C ATOM 1471 CD GLN A 530 106.916 -8.091 -10.526 1.00 0.00 C ATOM 1472 OE1 GLN A 530 107.187 -6.895 -10.644 1.00 0.00 O ATOM 1473 NE2 GLN A 530 106.291 -8.779 -11.474 1.00 0.00 N ATOM 0 H GLN A 530 107.417 -8.907 -6.078 1.00 0.00 H new ATOM 0 HA GLN A 530 107.687 -6.275 -7.062 1.00 0.00 H new ATOM 0 HB2 GLN A 530 108.693 -7.297 -8.837 1.00 0.00 H new ATOM 0 HB3 GLN A 530 108.746 -8.644 -7.717 1.00 0.00 H new ATOM 0 HG2 GLN A 530 107.885 -9.725 -9.543 1.00 0.00 H new ATOM 0 HG3 GLN A 530 106.384 -9.222 -8.790 1.00 0.00 H new ATOM 0 HE21 GLN A 530 106.086 -9.768 -11.335 1.00 0.00 H new ATOM 0 HE22 GLN A 530 106.016 -8.318 -12.341 1.00 0.00 H new ATOM 1482 N ARG A 531 104.920 -7.858 -7.841 1.00 0.00 N ATOM 1483 CA ARG A 531 103.582 -7.700 -8.404 1.00 0.00 C ATOM 1484 C ARG A 531 102.875 -6.487 -7.803 1.00 0.00 C ATOM 1485 O ARG A 531 102.411 -5.608 -8.528 1.00 0.00 O ATOM 1486 CB ARG A 531 102.760 -8.977 -8.166 1.00 0.00 C ATOM 1487 CG ARG A 531 101.265 -8.740 -7.995 1.00 0.00 C ATOM 1488 CD ARG A 531 100.704 -7.869 -9.108 1.00 0.00 C ATOM 1489 NE ARG A 531 99.904 -8.640 -10.057 1.00 0.00 N ATOM 1490 CZ ARG A 531 98.698 -9.130 -9.781 1.00 0.00 C ATOM 1491 NH1 ARG A 531 98.153 -8.927 -8.590 1.00 0.00 N ATOM 1492 NH2 ARG A 531 98.038 -9.824 -10.697 1.00 0.00 N ATOM 0 H ARG A 531 105.079 -8.755 -7.383 1.00 0.00 H new ATOM 0 HA ARG A 531 103.675 -7.534 -9.477 1.00 0.00 H new ATOM 0 HB2 ARG A 531 102.914 -9.656 -9.005 1.00 0.00 H new ATOM 0 HB3 ARG A 531 103.140 -9.479 -7.276 1.00 0.00 H new ATOM 0 HG2 ARG A 531 100.744 -9.697 -7.984 1.00 0.00 H new ATOM 0 HG3 ARG A 531 101.079 -8.265 -7.032 1.00 0.00 H new ATOM 0 HD2 ARG A 531 100.091 -7.078 -8.675 1.00 0.00 H new ATOM 0 HD3 ARG A 531 101.524 -7.383 -9.636 1.00 0.00 H new ATOM 0 HE ARG A 531 100.292 -8.813 -10.984 1.00 0.00 H new ATOM 0 HH11 ARG A 531 98.658 -8.394 -7.882 1.00 0.00 H new ATOM 0 HH12 ARG A 531 97.228 -9.304 -8.381 1.00 0.00 H new ATOM 0 HH21 ARG A 531 98.454 -9.983 -11.614 1.00 0.00 H new ATOM 0 HH22 ARG A 531 97.114 -10.199 -10.485 1.00 0.00 H new ATOM 1506 N TYR A 532 102.790 -6.449 -6.478 1.00 0.00 N ATOM 1507 CA TYR A 532 102.129 -5.343 -5.791 1.00 0.00 C ATOM 1508 C TYR A 532 102.808 -4.017 -6.123 1.00 0.00 C ATOM 1509 O TYR A 532 102.143 -3.018 -6.413 1.00 0.00 O ATOM 1510 CB TYR A 532 102.152 -5.582 -4.281 1.00 0.00 C ATOM 1511 CG TYR A 532 101.508 -4.477 -3.475 1.00 0.00 C ATOM 1512 CD1 TYR A 532 102.183 -3.290 -3.225 1.00 0.00 C ATOM 1513 CD2 TYR A 532 100.228 -4.626 -2.956 1.00 0.00 C ATOM 1514 CE1 TYR A 532 101.600 -2.281 -2.482 1.00 0.00 C ATOM 1515 CE2 TYR A 532 99.638 -3.621 -2.214 1.00 0.00 C ATOM 1516 CZ TYR A 532 100.328 -2.452 -1.979 1.00 0.00 C ATOM 1517 OH TYR A 532 99.745 -1.448 -1.241 1.00 0.00 O ATOM 0 H TYR A 532 103.168 -7.167 -5.860 1.00 0.00 H new ATOM 0 HA TYR A 532 101.095 -5.292 -6.131 1.00 0.00 H new ATOM 0 HB2 TYR A 532 101.642 -6.521 -4.064 1.00 0.00 H new ATOM 0 HB3 TYR A 532 103.186 -5.699 -3.957 1.00 0.00 H new ATOM 0 HD1 TYR A 532 103.180 -3.153 -3.617 1.00 0.00 H new ATOM 0 HD2 TYR A 532 99.685 -5.542 -3.135 1.00 0.00 H new ATOM 0 HE1 TYR A 532 102.138 -1.363 -2.296 1.00 0.00 H new ATOM 0 HE2 TYR A 532 98.641 -3.751 -1.820 1.00 0.00 H new ATOM 0 HH TYR A 532 98.848 -1.264 -1.590 1.00 0.00 H new ATOM 1527 N TRP A 533 104.135 -4.012 -6.097 1.00 0.00 N ATOM 1528 CA TRP A 533 104.888 -2.808 -6.411 1.00 0.00 C ATOM 1529 C TRP A 533 104.621 -2.372 -7.842 1.00 0.00 C ATOM 1530 O TRP A 533 104.434 -1.187 -8.117 1.00 0.00 O ATOM 1531 CB TRP A 533 106.381 -3.035 -6.186 1.00 0.00 C ATOM 1532 CG TRP A 533 106.790 -2.769 -4.774 1.00 0.00 C ATOM 1533 CD1 TRP A 533 107.220 -3.686 -3.861 1.00 0.00 C ATOM 1534 CD2 TRP A 533 106.790 -1.504 -4.105 1.00 0.00 C ATOM 1535 NE1 TRP A 533 107.491 -3.068 -2.668 1.00 0.00 N ATOM 1536 CE2 TRP A 533 107.236 -1.727 -2.791 1.00 0.00 C ATOM 1537 CE3 TRP A 533 106.460 -0.201 -4.492 1.00 0.00 C ATOM 1538 CZ2 TRP A 533 107.357 -0.699 -1.859 1.00 0.00 C ATOM 1539 CZ3 TRP A 533 106.582 0.819 -3.566 1.00 0.00 C ATOM 1540 CH2 TRP A 533 107.028 0.565 -2.264 1.00 0.00 C ATOM 0 H TRP A 533 104.707 -4.823 -5.863 1.00 0.00 H new ATOM 0 HA TRP A 533 104.560 -2.012 -5.743 1.00 0.00 H new ATOM 0 HB2 TRP A 533 106.633 -4.063 -6.447 1.00 0.00 H new ATOM 0 HB3 TRP A 533 106.949 -2.388 -6.854 1.00 0.00 H new ATOM 0 HD1 TRP A 533 107.331 -4.744 -4.050 1.00 0.00 H new ATOM 0 HE1 TRP A 533 107.828 -3.532 -1.824 1.00 0.00 H new ATOM 0 HE3 TRP A 533 106.116 0.005 -5.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 107.698 -0.893 -0.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 106.329 1.829 -3.853 1.00 0.00 H new ATOM 0 HH2 TRP A 533 107.114 1.384 -1.565 1.00 0.00 H new ATOM 1551 N GLN A 534 104.582 -3.342 -8.752 1.00 0.00 N ATOM 1552 CA GLN A 534 104.312 -3.053 -10.152 1.00 0.00 C ATOM 1553 C GLN A 534 103.045 -2.221 -10.269 1.00 0.00 C ATOM 1554 O GLN A 534 102.982 -1.265 -11.043 1.00 0.00 O ATOM 1555 CB GLN A 534 104.165 -4.352 -10.947 1.00 0.00 C ATOM 1556 CG GLN A 534 105.494 -4.985 -11.324 1.00 0.00 C ATOM 1557 CD GLN A 534 106.289 -4.135 -12.295 1.00 0.00 C ATOM 1558 OE1 GLN A 534 105.977 -4.074 -13.484 1.00 0.00 O ATOM 1559 NE2 GLN A 534 107.324 -3.472 -11.791 1.00 0.00 N ATOM 0 H GLN A 534 104.733 -4.329 -8.544 1.00 0.00 H new ATOM 0 HA GLN A 534 105.149 -2.490 -10.564 1.00 0.00 H new ATOM 0 HB2 GLN A 534 103.586 -5.065 -10.360 1.00 0.00 H new ATOM 0 HB3 GLN A 534 103.597 -4.151 -11.855 1.00 0.00 H new ATOM 0 HG2 GLN A 534 106.084 -5.148 -10.422 1.00 0.00 H new ATOM 0 HG3 GLN A 534 105.313 -5.964 -11.768 1.00 0.00 H new ATOM 0 HE21 GLN A 534 107.547 -3.552 -10.799 1.00 0.00 H new ATOM 0 HE22 GLN A 534 107.896 -2.883 -12.396 1.00 0.00 H new ATOM 1568 N LYS A 535 102.037 -2.586 -9.479 1.00 0.00 N ATOM 1569 CA LYS A 535 100.773 -1.866 -9.479 1.00 0.00 C ATOM 1570 C LYS A 535 100.989 -0.432 -9.013 1.00 0.00 C ATOM 1571 O LYS A 535 100.413 0.503 -9.567 1.00 0.00 O ATOM 1572 CB LYS A 535 99.753 -2.585 -8.586 1.00 0.00 C ATOM 1573 CG LYS A 535 99.601 -1.986 -7.194 1.00 0.00 C ATOM 1574 CD LYS A 535 98.988 -2.985 -6.227 1.00 0.00 C ATOM 1575 CE LYS A 535 99.100 -2.513 -4.787 1.00 0.00 C ATOM 1576 NZ LYS A 535 98.689 -1.090 -4.634 1.00 0.00 N ATOM 0 H LYS A 535 102.074 -3.375 -8.833 1.00 0.00 H new ATOM 0 HA LYS A 535 100.377 -1.841 -10.494 1.00 0.00 H new ATOM 0 HB2 LYS A 535 98.782 -2.572 -9.081 1.00 0.00 H new ATOM 0 HB3 LYS A 535 100.047 -3.630 -8.488 1.00 0.00 H new ATOM 0 HG2 LYS A 535 100.576 -1.669 -6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 535 98.975 -1.095 -7.245 1.00 0.00 H new ATOM 0 HD2 LYS A 535 97.939 -3.139 -6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 535 99.486 -3.948 -6.334 1.00 0.00 H new ATOM 0 HE2 LYS A 535 98.477 -3.141 -4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 535 100.128 -2.632 -4.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 98.551 -0.875 -3.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 99.429 -0.471 -5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 97.799 -0.929 -5.147 1.00 0.00 H new ATOM 1590 N ILE A 536 101.832 -0.265 -7.996 1.00 0.00 N ATOM 1591 CA ILE A 536 102.131 1.061 -7.468 1.00 0.00 C ATOM 1592 C ILE A 536 102.840 1.918 -8.511 1.00 0.00 C ATOM 1593 O ILE A 536 102.399 3.022 -8.830 1.00 0.00 O ATOM 1594 CB ILE A 536 103.021 0.991 -6.212 1.00 0.00 C ATOM 1595 CG1 ILE A 536 102.371 0.126 -5.131 1.00 0.00 C ATOM 1596 CG2 ILE A 536 103.296 2.390 -5.682 1.00 0.00 C ATOM 1597 CD1 ILE A 536 103.249 -0.067 -3.913 1.00 0.00 C ATOM 0 H ILE A 536 102.317 -1.028 -7.524 1.00 0.00 H new ATOM 0 HA ILE A 536 101.174 1.510 -7.204 1.00 0.00 H new ATOM 0 HB ILE A 536 103.969 0.530 -6.489 1.00 0.00 H new ATOM 0 HG12 ILE A 536 101.431 0.585 -4.824 1.00 0.00 H new ATOM 0 HG13 ILE A 536 102.127 -0.849 -5.553 1.00 0.00 H new ATOM 0 HG21 ILE A 536 103.926 2.326 -4.795 1.00 0.00 H new ATOM 0 HG22 ILE A 536 103.806 2.975 -6.447 1.00 0.00 H new ATOM 0 HG23 ILE A 536 102.354 2.873 -5.424 1.00 0.00 H new ATOM 0 HD11 ILE A 536 102.729 -0.689 -3.185 1.00 0.00 H new ATOM 0 HD12 ILE A 536 104.179 -0.553 -4.208 1.00 0.00 H new ATOM 0 HD13 ILE A 536 103.472 0.903 -3.468 1.00 0.00 H new ATOM 1609 N LEU A 537 103.950 1.400 -9.032 1.00 0.00 N ATOM 1610 CA LEU A 537 104.735 2.113 -10.033 1.00 0.00 C ATOM 1611 C LEU A 537 103.900 2.427 -11.272 1.00 0.00 C ATOM 1612 O LEU A 537 103.791 3.584 -11.678 1.00 0.00 O ATOM 1613 CB LEU A 537 105.967 1.292 -10.426 1.00 0.00 C ATOM 1614 CG LEU A 537 107.107 1.309 -9.406 1.00 0.00 C ATOM 1615 CD1 LEU A 537 107.584 -0.106 -9.114 1.00 0.00 C ATOM 1616 CD2 LEU A 537 108.261 2.164 -9.908 1.00 0.00 C ATOM 0 H LEU A 537 104.326 0.487 -8.776 1.00 0.00 H new ATOM 0 HA LEU A 537 105.059 3.057 -9.593 1.00 0.00 H new ATOM 0 HB2 LEU A 537 105.660 0.259 -10.588 1.00 0.00 H new ATOM 0 HB3 LEU A 537 106.345 1.665 -11.378 1.00 0.00 H new ATOM 0 HG LEU A 537 106.731 1.745 -8.480 1.00 0.00 H new ATOM 0 HD11 LEU A 537 108.395 -0.074 -8.386 1.00 0.00 H new ATOM 0 HD12 LEU A 537 106.758 -0.692 -8.711 1.00 0.00 H new ATOM 0 HD13 LEU A 537 107.941 -0.567 -10.035 1.00 0.00 H new ATOM 0 HD21 LEU A 537 109.062 2.164 -9.169 1.00 0.00 H new ATOM 0 HD22 LEU A 537 108.634 1.756 -10.848 1.00 0.00 H new ATOM 0 HD23 LEU A 537 107.915 3.185 -10.068 1.00 0.00 H new ATOM 1628 N VAL A 538 103.319 1.393 -11.874 1.00 0.00 N ATOM 1629 CA VAL A 538 102.503 1.571 -13.071 1.00 0.00 C ATOM 1630 C VAL A 538 101.362 2.554 -12.825 1.00 0.00 C ATOM 1631 O VAL A 538 101.041 3.373 -13.688 1.00 0.00 O ATOM 1632 CB VAL A 538 101.919 0.229 -13.557 1.00 0.00 C ATOM 1633 CG1 VAL A 538 100.832 0.456 -14.598 1.00 0.00 C ATOM 1634 CG2 VAL A 538 103.020 -0.659 -14.115 1.00 0.00 C ATOM 0 H VAL A 538 103.397 0.428 -11.554 1.00 0.00 H new ATOM 0 HA VAL A 538 103.160 1.974 -13.842 1.00 0.00 H new ATOM 0 HB VAL A 538 101.468 -0.276 -12.703 1.00 0.00 H new ATOM 0 HG11 VAL A 538 100.435 -0.505 -14.926 1.00 0.00 H new ATOM 0 HG12 VAL A 538 100.029 1.050 -14.162 1.00 0.00 H new ATOM 0 HG13 VAL A 538 101.252 0.986 -15.453 1.00 0.00 H new ATOM 0 HG21 VAL A 538 102.590 -1.602 -14.453 1.00 0.00 H new ATOM 0 HG22 VAL A 538 103.501 -0.158 -14.955 1.00 0.00 H new ATOM 0 HG23 VAL A 538 103.758 -0.855 -13.338 1.00 0.00 H new ATOM 1644 N ASP A 539 100.755 2.475 -11.646 1.00 0.00 N ATOM 1645 CA ASP A 539 99.654 3.367 -11.300 1.00 0.00 C ATOM 1646 C ASP A 539 100.137 4.811 -11.232 1.00 0.00 C ATOM 1647 O ASP A 539 99.433 5.733 -11.645 1.00 0.00 O ATOM 1648 CB ASP A 539 99.033 2.960 -9.963 1.00 0.00 C ATOM 1649 CG ASP A 539 97.688 3.620 -9.728 1.00 0.00 C ATOM 1650 OD1 ASP A 539 97.161 4.245 -10.672 1.00 0.00 O ATOM 1651 OD2 ASP A 539 97.163 3.511 -8.600 1.00 0.00 O ATOM 0 H ASP A 539 101.005 1.806 -10.917 1.00 0.00 H new ATOM 0 HA ASP A 539 98.894 3.287 -12.078 1.00 0.00 H new ATOM 0 HB2 ASP A 539 98.913 1.877 -9.935 1.00 0.00 H new ATOM 0 HB3 ASP A 539 99.712 3.227 -9.153 1.00 0.00 H new ATOM 1656 N ARG A 540 101.349 4.999 -10.718 1.00 0.00 N ATOM 1657 CA ARG A 540 101.928 6.330 -10.606 1.00 0.00 C ATOM 1658 C ARG A 540 102.095 6.951 -11.988 1.00 0.00 C ATOM 1659 O ARG A 540 101.820 8.134 -12.188 1.00 0.00 O ATOM 1660 CB ARG A 540 103.276 6.264 -9.887 1.00 0.00 C ATOM 1661 CG ARG A 540 103.155 6.030 -8.389 1.00 0.00 C ATOM 1662 CD ARG A 540 103.007 7.338 -7.628 1.00 0.00 C ATOM 1663 NE ARG A 540 104.297 7.974 -7.377 1.00 0.00 N ATOM 1664 CZ ARG A 540 104.431 9.212 -6.913 1.00 0.00 C ATOM 1665 NH1 ARG A 540 103.360 9.954 -6.671 1.00 0.00 N ATOM 1666 NH2 ARG A 540 105.641 9.710 -6.692 1.00 0.00 N ATOM 0 H ARG A 540 101.946 4.247 -10.374 1.00 0.00 H new ATOM 0 HA ARG A 540 101.253 6.956 -10.022 1.00 0.00 H new ATOM 0 HB2 ARG A 540 103.873 5.464 -10.324 1.00 0.00 H new ATOM 0 HB3 ARG A 540 103.816 7.195 -10.059 1.00 0.00 H new ATOM 0 HG2 ARG A 540 102.294 5.392 -8.188 1.00 0.00 H new ATOM 0 HG3 ARG A 540 104.036 5.498 -8.031 1.00 0.00 H new ATOM 0 HD2 ARG A 540 102.372 8.018 -8.196 1.00 0.00 H new ATOM 0 HD3 ARG A 540 102.505 7.150 -6.679 1.00 0.00 H new ATOM 0 HE ARG A 540 105.143 7.438 -7.569 1.00 0.00 H new ATOM 0 HH11 ARG A 540 102.428 9.575 -6.841 1.00 0.00 H new ATOM 0 HH12 ARG A 540 103.467 10.904 -6.315 1.00 0.00 H new ATOM 0 HH21 ARG A 540 106.468 9.143 -6.878 1.00 0.00 H new ATOM 0 HH22 ARG A 540 105.744 10.660 -6.336 1.00 0.00 H new ATOM 1680 N GLN A 541 102.533 6.137 -12.945 1.00 0.00 N ATOM 1681 CA GLN A 541 102.722 6.600 -14.313 1.00 0.00 C ATOM 1682 C GLN A 541 101.390 7.037 -14.915 1.00 0.00 C ATOM 1683 O GLN A 541 101.314 8.045 -15.619 1.00 0.00 O ATOM 1684 CB GLN A 541 103.348 5.497 -15.169 1.00 0.00 C ATOM 1685 CG GLN A 541 104.790 5.187 -14.804 1.00 0.00 C ATOM 1686 CD GLN A 541 105.197 3.778 -15.187 1.00 0.00 C ATOM 1687 OE1 GLN A 541 105.211 3.422 -16.365 1.00 0.00 O ATOM 1688 NE2 GLN A 541 105.531 2.966 -14.191 1.00 0.00 N ATOM 0 H GLN A 541 102.763 5.154 -12.797 1.00 0.00 H new ATOM 0 HA GLN A 541 103.397 7.456 -14.296 1.00 0.00 H new ATOM 0 HB2 GLN A 541 102.753 4.589 -15.068 1.00 0.00 H new ATOM 0 HB3 GLN A 541 103.303 5.793 -16.217 1.00 0.00 H new ATOM 0 HG2 GLN A 541 105.448 5.899 -15.301 1.00 0.00 H new ATOM 0 HG3 GLN A 541 104.927 5.322 -13.731 1.00 0.00 H new ATOM 0 HE21 GLN A 541 105.505 3.302 -13.228 1.00 0.00 H new ATOM 0 HE22 GLN A 541 105.813 2.006 -14.388 1.00 0.00 H new ATOM 1697 N ALA A 542 100.342 6.270 -14.631 1.00 0.00 N ATOM 1698 CA ALA A 542 99.010 6.572 -15.140 1.00 0.00 C ATOM 1699 C ALA A 542 98.512 7.913 -14.611 1.00 0.00 C ATOM 1700 O ALA A 542 97.827 8.653 -15.318 1.00 0.00 O ATOM 1701 CB ALA A 542 98.028 5.467 -14.781 1.00 0.00 C ATOM 0 H ALA A 542 100.390 5.433 -14.050 1.00 0.00 H new ATOM 0 HA ALA A 542 99.078 6.635 -16.226 1.00 0.00 H new ATOM 0 HB1 ALA A 542 97.041 5.716 -15.172 1.00 0.00 H new ATOM 0 HB2 ALA A 542 98.364 4.526 -15.216 1.00 0.00 H new ATOM 0 HB3 ALA A 542 97.974 5.366 -13.697 1.00 0.00 H new ATOM 1707 N LYS A 543 98.854 8.221 -13.363 1.00 0.00 N ATOM 1708 CA LYS A 543 98.435 9.477 -12.747 1.00 0.00 C ATOM 1709 C LYS A 543 98.578 10.637 -13.730 1.00 0.00 C ATOM 1710 O LYS A 543 97.798 11.589 -13.698 1.00 0.00 O ATOM 1711 CB LYS A 543 99.254 9.752 -11.482 1.00 0.00 C ATOM 1712 CG LYS A 543 100.522 10.554 -11.734 1.00 0.00 C ATOM 1713 CD LYS A 543 101.546 10.339 -10.633 1.00 0.00 C ATOM 1714 CE LYS A 543 102.951 10.662 -11.114 1.00 0.00 C ATOM 1715 NZ LYS A 543 103.803 11.201 -10.018 1.00 0.00 N ATOM 0 H LYS A 543 99.418 7.621 -12.760 1.00 0.00 H new ATOM 0 HA LYS A 543 97.384 9.386 -12.472 1.00 0.00 H new ATOM 0 HB2 LYS A 543 98.631 10.290 -10.767 1.00 0.00 H new ATOM 0 HB3 LYS A 543 99.522 8.802 -11.020 1.00 0.00 H new ATOM 0 HG2 LYS A 543 100.952 10.265 -12.693 1.00 0.00 H new ATOM 0 HG3 LYS A 543 100.276 11.614 -11.801 1.00 0.00 H new ATOM 0 HD2 LYS A 543 101.299 10.967 -9.777 1.00 0.00 H new ATOM 0 HD3 LYS A 543 101.505 9.304 -10.292 1.00 0.00 H new ATOM 0 HE2 LYS A 543 103.411 9.762 -11.522 1.00 0.00 H new ATOM 0 HE3 LYS A 543 102.899 11.389 -11.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 104.753 11.409 -10.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 103.378 12.074 -9.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 103.874 10.497 -9.255 1.00 0.00 H new ATOM 1729 N LEU A 544 99.579 10.550 -14.600 1.00 0.00 N ATOM 1730 CA LEU A 544 99.822 11.591 -15.591 1.00 0.00 C ATOM 1731 C LEU A 544 98.548 11.911 -16.364 1.00 0.00 C ATOM 1732 O LEU A 544 98.355 13.036 -16.825 1.00 0.00 O ATOM 1733 CB LEU A 544 100.925 11.157 -16.560 1.00 0.00 C ATOM 1734 CG LEU A 544 102.084 12.144 -16.708 1.00 0.00 C ATOM 1735 CD1 LEU A 544 103.382 11.518 -16.222 1.00 0.00 C ATOM 1736 CD2 LEU A 544 102.217 12.595 -18.155 1.00 0.00 C ATOM 0 H LEU A 544 100.235 9.769 -14.639 1.00 0.00 H new ATOM 0 HA LEU A 544 100.144 12.490 -15.066 1.00 0.00 H new ATOM 0 HB2 LEU A 544 101.324 10.199 -16.226 1.00 0.00 H new ATOM 0 HB3 LEU A 544 100.481 10.992 -17.542 1.00 0.00 H new ATOM 0 HG LEU A 544 101.873 13.019 -16.093 1.00 0.00 H new ATOM 0 HD11 LEU A 544 104.196 12.234 -16.335 1.00 0.00 H new ATOM 0 HD12 LEU A 544 103.283 11.244 -15.172 1.00 0.00 H new ATOM 0 HD13 LEU A 544 103.599 10.627 -16.811 1.00 0.00 H new ATOM 0 HD21 LEU A 544 103.046 13.297 -18.243 1.00 0.00 H new ATOM 0 HD22 LEU A 544 102.406 11.729 -18.790 1.00 0.00 H new ATOM 0 HD23 LEU A 544 101.294 13.082 -18.471 1.00 0.00 H new ATOM 1748 N ASN A 545 97.680 10.915 -16.496 1.00 0.00 N ATOM 1749 CA ASN A 545 96.421 11.090 -17.209 1.00 0.00 C ATOM 1750 C ASN A 545 95.244 11.042 -16.240 1.00 0.00 C ATOM 1751 O ASN A 545 95.298 10.363 -15.214 1.00 0.00 O ATOM 1752 CB ASN A 545 96.264 10.010 -18.282 1.00 0.00 C ATOM 1753 CG ASN A 545 95.733 10.565 -19.588 1.00 0.00 C ATOM 1754 OD1 ASN A 545 94.806 10.012 -20.181 1.00 0.00 O ATOM 1755 ND2 ASN A 545 96.320 11.664 -20.046 1.00 0.00 N ATOM 0 H ASN A 545 97.825 9.978 -16.119 1.00 0.00 H new ATOM 0 HA ASN A 545 96.433 12.067 -17.692 1.00 0.00 H new ATOM 0 HB2 ASN A 545 97.229 9.534 -18.458 1.00 0.00 H new ATOM 0 HB3 ASN A 545 95.588 9.236 -17.918 1.00 0.00 H new ATOM 0 HD21 ASN A 545 96.006 12.083 -20.921 1.00 0.00 H new ATOM 0 HD22 ASN A 545 97.085 12.090 -19.522 1.00 0.00 H new ATOM 1762 N GLN A 546 94.183 11.772 -16.568 1.00 0.00 N ATOM 1763 CA GLN A 546 92.996 11.814 -15.722 1.00 0.00 C ATOM 1764 C GLN A 546 93.319 12.443 -14.370 1.00 0.00 C ATOM 1765 O GLN A 546 93.227 11.791 -13.330 1.00 0.00 O ATOM 1766 CB GLN A 546 92.434 10.405 -15.522 1.00 0.00 C ATOM 1767 CG GLN A 546 90.930 10.315 -15.728 1.00 0.00 C ATOM 1768 CD GLN A 546 90.558 9.918 -17.143 1.00 0.00 C ATOM 1769 OE1 GLN A 546 91.094 8.956 -17.693 1.00 0.00 O ATOM 1770 NE2 GLN A 546 89.632 10.660 -17.741 1.00 0.00 N ATOM 0 H GLN A 546 94.121 12.341 -17.412 1.00 0.00 H new ATOM 0 HA GLN A 546 92.245 12.427 -16.220 1.00 0.00 H new ATOM 0 HB2 GLN A 546 92.929 9.724 -16.214 1.00 0.00 H new ATOM 0 HB3 GLN A 546 92.675 10.066 -14.515 1.00 0.00 H new ATOM 0 HG2 GLN A 546 90.514 9.589 -15.030 1.00 0.00 H new ATOM 0 HG3 GLN A 546 90.477 11.278 -15.494 1.00 0.00 H new ATOM 0 HE21 GLN A 546 89.214 11.449 -17.248 1.00 0.00 H new ATOM 0 HE22 GLN A 546 89.339 10.441 -18.693 1.00 0.00 H new ATOM 1779 N PRO A 547 93.704 13.728 -14.375 1.00 0.00 N ATOM 1780 CA PRO A 547 94.047 14.463 -13.154 1.00 0.00 C ATOM 1781 C PRO A 547 92.890 14.510 -12.162 1.00 0.00 C ATOM 1782 O PRO A 547 91.877 15.168 -12.404 1.00 0.00 O ATOM 1783 CB PRO A 547 94.378 15.876 -13.654 1.00 0.00 C ATOM 1784 CG PRO A 547 93.787 15.958 -15.021 1.00 0.00 C ATOM 1785 CD PRO A 547 93.835 14.564 -15.576 1.00 0.00 C ATOM 0 HA PRO A 547 94.868 13.988 -12.617 1.00 0.00 H new ATOM 0 HB2 PRO A 547 93.955 16.635 -12.996 1.00 0.00 H new ATOM 0 HB3 PRO A 547 95.455 16.042 -13.680 1.00 0.00 H new ATOM 0 HG2 PRO A 547 92.762 16.327 -14.982 1.00 0.00 H new ATOM 0 HG3 PRO A 547 94.351 16.648 -15.649 1.00 0.00 H new ATOM 0 HD2 PRO A 547 93.027 14.383 -16.284 1.00 0.00 H new ATOM 0 HD3 PRO A 547 94.769 14.371 -16.103 1.00 0.00 H new ATOM 1793 N ARG A 548 93.051 13.812 -11.045 1.00 0.00 N ATOM 1794 CA ARG A 548 92.025 13.774 -10.012 1.00 0.00 C ATOM 1795 C ARG A 548 91.649 15.186 -9.574 1.00 0.00 C ATOM 1796 O ARG A 548 92.370 15.820 -8.803 1.00 0.00 O ATOM 1797 CB ARG A 548 92.513 12.968 -8.809 1.00 0.00 C ATOM 1798 CG ARG A 548 91.458 12.790 -7.730 1.00 0.00 C ATOM 1799 CD ARG A 548 91.703 11.532 -6.912 1.00 0.00 C ATOM 1800 NE ARG A 548 91.770 11.812 -5.481 1.00 0.00 N ATOM 1801 CZ ARG A 548 90.709 12.113 -4.741 1.00 0.00 C ATOM 1802 NH1 ARG A 548 89.507 12.177 -5.298 1.00 0.00 N ATOM 1803 NH2 ARG A 548 90.847 12.350 -3.444 1.00 0.00 N ATOM 0 H ARG A 548 93.884 13.264 -10.831 1.00 0.00 H new ATOM 0 HA ARG A 548 91.140 13.291 -10.427 1.00 0.00 H new ATOM 0 HB2 ARG A 548 92.843 11.986 -9.149 1.00 0.00 H new ATOM 0 HB3 ARG A 548 93.382 13.464 -8.378 1.00 0.00 H new ATOM 0 HG2 ARG A 548 91.459 13.659 -7.072 1.00 0.00 H new ATOM 0 HG3 ARG A 548 90.471 12.740 -8.190 1.00 0.00 H new ATOM 0 HD2 ARG A 548 90.905 10.814 -7.104 1.00 0.00 H new ATOM 0 HD3 ARG A 548 92.635 11.066 -7.234 1.00 0.00 H new ATOM 0 HE ARG A 548 92.681 11.774 -5.024 1.00 0.00 H new ATOM 0 HH11 ARG A 548 89.397 11.995 -6.296 1.00 0.00 H new ATOM 0 HH12 ARG A 548 88.693 12.408 -4.729 1.00 0.00 H new ATOM 0 HH21 ARG A 548 91.770 12.301 -3.012 1.00 0.00 H new ATOM 0 HH22 ARG A 548 90.030 12.581 -2.878 1.00 0.00 H new ATOM 1817 N GLU A 549 90.520 15.672 -10.073 1.00 0.00 N ATOM 1818 CA GLU A 549 90.051 17.010 -9.735 1.00 0.00 C ATOM 1819 C GLU A 549 88.633 16.964 -9.175 1.00 0.00 C ATOM 1820 O GLU A 549 87.691 16.591 -9.872 1.00 0.00 O ATOM 1821 CB GLU A 549 90.098 17.911 -10.969 1.00 0.00 C ATOM 1822 CG GLU A 549 91.264 18.886 -10.965 1.00 0.00 C ATOM 1823 CD GLU A 549 91.191 19.877 -9.822 1.00 0.00 C ATOM 1824 OE1 GLU A 549 90.067 20.278 -9.453 1.00 0.00 O ATOM 1825 OE2 GLU A 549 92.259 20.253 -9.294 1.00 0.00 O ATOM 0 H GLU A 549 89.912 15.160 -10.713 1.00 0.00 H new ATOM 0 HA GLU A 549 90.709 17.419 -8.969 1.00 0.00 H new ATOM 0 HB2 GLU A 549 90.159 17.288 -11.861 1.00 0.00 H new ATOM 0 HB3 GLU A 549 89.166 18.472 -11.035 1.00 0.00 H new ATOM 0 HG2 GLU A 549 92.198 18.329 -10.899 1.00 0.00 H new ATOM 0 HG3 GLU A 549 91.283 19.428 -11.910 1.00 0.00 H new ATOM 1832 N LYS A 550 88.491 17.346 -7.909 1.00 0.00 N ATOM 1833 CA LYS A 550 87.188 17.347 -7.254 1.00 0.00 C ATOM 1834 C LYS A 550 86.351 16.161 -7.718 1.00 0.00 C ATOM 1835 O LYS A 550 85.420 16.314 -8.508 1.00 0.00 O ATOM 1836 CB LYS A 550 86.449 18.656 -7.537 1.00 0.00 C ATOM 1837 CG LYS A 550 86.198 19.488 -6.291 1.00 0.00 C ATOM 1838 CD LYS A 550 85.112 20.524 -6.521 1.00 0.00 C ATOM 1839 CE LYS A 550 84.785 21.277 -5.242 1.00 0.00 C ATOM 1840 NZ LYS A 550 85.900 21.207 -4.257 1.00 0.00 N ATOM 0 H LYS A 550 89.261 17.658 -7.318 1.00 0.00 H new ATOM 0 HA LYS A 550 87.347 17.259 -6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 550 87.028 19.245 -8.248 1.00 0.00 H new ATOM 0 HB3 LYS A 550 85.495 18.430 -8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 550 85.910 18.834 -5.468 1.00 0.00 H new ATOM 0 HG3 LYS A 550 87.120 19.987 -5.994 1.00 0.00 H new ATOM 0 HD2 LYS A 550 85.435 21.228 -7.287 1.00 0.00 H new ATOM 0 HD3 LYS A 550 84.214 20.034 -6.897 1.00 0.00 H new ATOM 0 HE2 LYS A 550 84.574 22.320 -5.478 1.00 0.00 H new ATOM 0 HE3 LYS A 550 83.881 20.862 -4.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 85.689 21.828 -3.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 86.007 20.228 -3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 86.784 21.516 -4.710 1.00 0.00 H new ATOM 1854 N LYS A 551 86.692 14.978 -7.220 1.00 0.00 N ATOM 1855 CA LYS A 551 85.977 13.762 -7.581 1.00 0.00 C ATOM 1856 C LYS A 551 84.753 13.563 -6.694 1.00 0.00 C ATOM 1857 O LYS A 551 84.846 12.978 -5.615 1.00 0.00 O ATOM 1858 CB LYS A 551 86.904 12.550 -7.468 1.00 0.00 C ATOM 1859 CG LYS A 551 87.497 12.109 -8.796 1.00 0.00 C ATOM 1860 CD LYS A 551 86.831 10.843 -9.312 1.00 0.00 C ATOM 1861 CE LYS A 551 86.807 9.755 -8.253 1.00 0.00 C ATOM 1862 NZ LYS A 551 87.059 8.407 -8.835 1.00 0.00 N ATOM 0 H LYS A 551 87.460 14.836 -6.564 1.00 0.00 H new ATOM 0 HA LYS A 551 85.641 13.862 -8.613 1.00 0.00 H new ATOM 0 HB2 LYS A 551 87.715 12.787 -6.779 1.00 0.00 H new ATOM 0 HB3 LYS A 551 86.349 11.718 -7.034 1.00 0.00 H new ATOM 0 HG2 LYS A 551 87.382 12.907 -9.530 1.00 0.00 H new ATOM 0 HG3 LYS A 551 88.567 11.936 -8.678 1.00 0.00 H new ATOM 0 HD2 LYS A 551 85.812 11.069 -9.626 1.00 0.00 H new ATOM 0 HD3 LYS A 551 87.364 10.483 -10.192 1.00 0.00 H new ATOM 0 HE2 LYS A 551 87.560 9.970 -7.495 1.00 0.00 H new ATOM 0 HE3 LYS A 551 85.840 9.758 -7.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 551 87.034 7.693 -8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 551 86.326 8.191 -9.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 551 87.993 8.395 -9.292 1.00 0.00 H new ATOM 1876 N ARG A 552 83.606 14.051 -7.156 1.00 0.00 N ATOM 1877 CA ARG A 552 82.364 13.923 -6.402 1.00 0.00 C ATOM 1878 C ARG A 552 82.135 12.476 -5.978 1.00 0.00 C ATOM 1879 O ARG A 552 82.216 11.559 -6.796 1.00 0.00 O ATOM 1880 CB ARG A 552 81.179 14.415 -7.236 1.00 0.00 C ATOM 1881 CG ARG A 552 81.250 14.008 -8.698 1.00 0.00 C ATOM 1882 CD ARG A 552 80.201 12.964 -9.039 1.00 0.00 C ATOM 1883 NE ARG A 552 79.949 12.898 -10.475 1.00 0.00 N ATOM 1884 CZ ARG A 552 79.429 13.898 -11.178 1.00 0.00 C ATOM 1885 NH1 ARG A 552 79.091 15.029 -10.574 1.00 0.00 N ATOM 1886 NH2 ARG A 552 79.247 13.769 -12.484 1.00 0.00 N ATOM 0 H ARG A 552 83.511 14.538 -8.047 1.00 0.00 H new ATOM 0 HA ARG A 552 82.447 14.539 -5.507 1.00 0.00 H new ATOM 0 HB2 ARG A 552 80.256 14.027 -6.804 1.00 0.00 H new ATOM 0 HB3 ARG A 552 81.128 15.502 -7.173 1.00 0.00 H new ATOM 0 HG2 ARG A 552 81.109 14.886 -9.328 1.00 0.00 H new ATOM 0 HG3 ARG A 552 82.242 13.614 -8.919 1.00 0.00 H new ATOM 0 HD2 ARG A 552 80.530 11.988 -8.682 1.00 0.00 H new ATOM 0 HD3 ARG A 552 79.273 13.197 -8.517 1.00 0.00 H new ATOM 0 HE ARG A 552 80.185 12.036 -10.966 1.00 0.00 H new ATOM 0 HH11 ARG A 552 79.230 15.132 -9.569 1.00 0.00 H new ATOM 0 HH12 ARG A 552 78.692 15.796 -11.115 1.00 0.00 H new ATOM 0 HH21 ARG A 552 79.506 12.900 -12.952 1.00 0.00 H new ATOM 0 HH22 ARG A 552 78.848 14.538 -13.022 1.00 0.00 H new ATOM 1900 N GLY A 553 81.852 12.277 -4.694 1.00 0.00 N ATOM 1901 CA GLY A 553 81.621 10.936 -4.188 1.00 0.00 C ATOM 1902 C GLY A 553 80.443 10.864 -3.235 1.00 0.00 C ATOM 1903 O GLY A 553 79.822 11.882 -2.924 1.00 0.00 O ATOM 0 H GLY A 553 81.779 13.018 -3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 553 81.447 10.261 -5.026 1.00 0.00 H new ATOM 0 HA3 GLY A 553 82.518 10.585 -3.677 1.00 0.00 H new ATOM 1907 N THR A 554 80.136 9.657 -2.771 1.00 0.00 N ATOM 1908 CA THR A 554 79.026 9.448 -1.848 1.00 0.00 C ATOM 1909 C THR A 554 79.371 9.947 -0.450 1.00 0.00 C ATOM 1910 O THR A 554 79.330 9.188 0.519 1.00 0.00 O ATOM 1911 CB THR A 554 78.636 7.960 -1.764 1.00 0.00 C ATOM 1912 OG1 THR A 554 79.669 7.117 -2.289 1.00 0.00 O ATOM 1913 CG2 THR A 554 77.356 7.691 -2.537 1.00 0.00 C ATOM 0 H THR A 554 80.642 8.807 -3.020 1.00 0.00 H new ATOM 0 HA THR A 554 78.182 10.017 -2.238 1.00 0.00 H new ATOM 0 HB THR A 554 78.487 7.732 -0.709 1.00 0.00 H new ATOM 0 HG1 THR A 554 79.393 6.179 -2.220 1.00 0.00 H new ATOM 0 HG21 THR A 554 77.101 6.634 -2.463 1.00 0.00 H new ATOM 0 HG22 THR A 554 76.546 8.289 -2.120 1.00 0.00 H new ATOM 0 HG23 THR A 554 77.501 7.957 -3.584 1.00 0.00 H new ATOM 1921 N GLU A 555 79.708 11.229 -0.348 1.00 0.00 N ATOM 1922 CA GLU A 555 80.056 11.826 0.936 1.00 0.00 C ATOM 1923 C GLU A 555 79.204 13.062 1.205 1.00 0.00 C ATOM 1924 O GLU A 555 79.542 14.165 0.780 1.00 0.00 O ATOM 1925 CB GLU A 555 81.540 12.195 0.970 1.00 0.00 C ATOM 1926 CG GLU A 555 82.293 11.574 2.135 1.00 0.00 C ATOM 1927 CD GLU A 555 82.821 10.189 1.819 1.00 0.00 C ATOM 1928 OE1 GLU A 555 82.007 9.307 1.473 1.00 0.00 O ATOM 1929 OE2 GLU A 555 84.050 9.985 1.916 1.00 0.00 O ATOM 0 H GLU A 555 79.747 11.873 -1.138 1.00 0.00 H new ATOM 0 HA GLU A 555 79.858 11.091 1.716 1.00 0.00 H new ATOM 0 HB2 GLU A 555 82.006 11.879 0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 555 81.635 13.280 1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 555 83.125 12.221 2.411 1.00 0.00 H new ATOM 0 HG3 GLU A 555 81.633 11.518 3.000 1.00 0.00 H new ATOM 1936 N LYS A 556 78.097 12.865 1.913 1.00 0.00 N ATOM 1937 CA LYS A 556 77.192 13.961 2.239 1.00 0.00 C ATOM 1938 C LYS A 556 77.351 14.385 3.695 1.00 0.00 C ATOM 1939 O LYS A 556 76.814 13.746 4.601 1.00 0.00 O ATOM 1940 CB LYS A 556 75.745 13.545 1.969 1.00 0.00 C ATOM 1941 CG LYS A 556 75.344 13.649 0.506 1.00 0.00 C ATOM 1942 CD LYS A 556 74.381 12.541 0.111 1.00 0.00 C ATOM 1943 CE LYS A 556 75.100 11.398 -0.589 1.00 0.00 C ATOM 1944 NZ LYS A 556 74.439 10.089 -0.333 1.00 0.00 N ATOM 0 H LYS A 556 77.805 11.956 2.272 1.00 0.00 H new ATOM 0 HA LYS A 556 77.444 14.812 1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 556 75.603 12.517 2.304 1.00 0.00 H new ATOM 0 HB3 LYS A 556 75.079 14.169 2.565 1.00 0.00 H new ATOM 0 HG2 LYS A 556 74.880 14.618 0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 556 76.234 13.599 -0.121 1.00 0.00 H new ATOM 0 HD2 LYS A 556 73.875 12.164 1.000 1.00 0.00 H new ATOM 0 HD3 LYS A 556 73.611 12.945 -0.547 1.00 0.00 H new ATOM 0 HE2 LYS A 556 75.126 11.588 -1.662 1.00 0.00 H new ATOM 0 HE3 LYS A 556 76.134 11.356 -0.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 556 74.958 9.335 -0.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 556 74.436 9.895 0.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 556 73.460 10.120 -0.682 1.00 0.00 H new ATOM 1958 N LEU A 557 78.090 15.468 3.915 1.00 0.00 N ATOM 1959 CA LEU A 557 78.318 15.978 5.263 1.00 0.00 C ATOM 1960 C LEU A 557 77.000 16.138 6.013 1.00 0.00 C ATOM 1961 O LEU A 557 76.032 16.678 5.477 1.00 0.00 O ATOM 1962 CB LEU A 557 79.052 17.318 5.205 1.00 0.00 C ATOM 1963 CG LEU A 557 80.223 17.458 6.179 1.00 0.00 C ATOM 1964 CD1 LEU A 557 81.225 16.333 5.974 1.00 0.00 C ATOM 1965 CD2 LEU A 557 80.896 18.811 6.012 1.00 0.00 C ATOM 0 H LEU A 557 78.541 16.009 3.178 1.00 0.00 H new ATOM 0 HA LEU A 557 78.935 15.257 5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 557 79.423 17.468 4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 557 78.336 18.116 5.404 1.00 0.00 H new ATOM 0 HG LEU A 557 79.835 17.391 7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 557 82.051 16.449 6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 557 80.736 15.374 6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 557 81.608 16.368 4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 557 81.727 18.893 6.713 1.00 0.00 H new ATOM 0 HD22 LEU A 557 81.270 18.908 4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 557 80.174 19.603 6.210 1.00 0.00 H new ATOM 1977 N ILE A 558 76.970 15.667 7.254 1.00 0.00 N ATOM 1978 CA ILE A 558 75.771 15.758 8.075 1.00 0.00 C ATOM 1979 C ILE A 558 76.051 16.487 9.384 1.00 0.00 C ATOM 1980 O ILE A 558 76.455 15.876 10.372 1.00 0.00 O ATOM 1981 CB ILE A 558 75.201 14.363 8.395 1.00 0.00 C ATOM 1982 CG1 ILE A 558 74.882 13.610 7.102 1.00 0.00 C ATOM 1983 CG2 ILE A 558 73.959 14.485 9.266 1.00 0.00 C ATOM 1984 CD1 ILE A 558 73.529 13.957 6.519 1.00 0.00 C ATOM 0 H ILE A 558 77.763 15.218 7.713 1.00 0.00 H new ATOM 0 HA ILE A 558 75.038 16.321 7.497 1.00 0.00 H new ATOM 0 HB ILE A 558 75.952 13.797 8.946 1.00 0.00 H new ATOM 0 HG12 ILE A 558 75.654 13.829 6.364 1.00 0.00 H new ATOM 0 HG13 ILE A 558 74.921 12.538 7.296 1.00 0.00 H new ATOM 0 HG21 ILE A 558 73.568 13.491 9.483 1.00 0.00 H new ATOM 0 HG22 ILE A 558 74.217 14.986 10.199 1.00 0.00 H new ATOM 0 HG23 ILE A 558 73.201 15.066 8.740 1.00 0.00 H new ATOM 0 HD11 ILE A 558 73.370 13.386 5.604 1.00 0.00 H new ATOM 0 HD12 ILE A 558 72.749 13.712 7.240 1.00 0.00 H new ATOM 0 HD13 ILE A 558 73.493 15.023 6.293 1.00 0.00 H new ATOM 1996 N THR A 559 75.830 17.798 9.383 1.00 0.00 N ATOM 1997 CA THR A 559 76.055 18.611 10.573 1.00 0.00 C ATOM 1998 C THR A 559 74.734 19.025 11.209 1.00 0.00 C ATOM 1999 O THR A 559 74.650 19.216 12.423 1.00 0.00 O ATOM 2000 CB THR A 559 76.872 19.875 10.246 1.00 0.00 C ATOM 2001 OG1 THR A 559 76.106 20.808 9.473 1.00 0.00 O ATOM 2002 CG2 THR A 559 78.130 19.522 9.467 1.00 0.00 C ATOM 0 H THR A 559 75.496 18.319 8.573 1.00 0.00 H new ATOM 0 HA THR A 559 76.619 17.996 11.275 1.00 0.00 H new ATOM 0 HB THR A 559 77.142 20.331 11.198 1.00 0.00 H new ATOM 0 HG1 THR A 559 76.651 21.600 9.283 1.00 0.00 H new ATOM 0 HG21 THR A 559 78.690 20.431 9.248 1.00 0.00 H new ATOM 0 HG22 THR A 559 78.749 18.849 10.061 1.00 0.00 H new ATOM 0 HG23 THR A 559 77.854 19.032 8.533 1.00 0.00 H new ATOM 2010 N LYS A 560 73.701 19.163 10.383 1.00 0.00 N ATOM 2011 CA LYS A 560 72.383 19.556 10.868 1.00 0.00 C ATOM 2012 C LYS A 560 72.450 20.903 11.575 1.00 0.00 C ATOM 2013 O LYS A 560 72.281 20.988 12.792 1.00 0.00 O ATOM 2014 CB LYS A 560 71.827 18.493 11.818 1.00 0.00 C ATOM 2015 CG LYS A 560 71.462 17.190 11.126 1.00 0.00 C ATOM 2016 CD LYS A 560 70.467 16.385 11.944 1.00 0.00 C ATOM 2017 CE LYS A 560 71.002 14.998 12.262 1.00 0.00 C ATOM 2018 NZ LYS A 560 70.954 14.705 13.721 1.00 0.00 N ATOM 0 H LYS A 560 73.752 19.009 9.376 1.00 0.00 H new ATOM 0 HA LYS A 560 71.717 19.647 10.010 1.00 0.00 H new ATOM 0 HB2 LYS A 560 72.565 18.289 12.593 1.00 0.00 H new ATOM 0 HB3 LYS A 560 70.943 18.890 12.317 1.00 0.00 H new ATOM 0 HG2 LYS A 560 71.039 17.404 10.145 1.00 0.00 H new ATOM 0 HG3 LYS A 560 72.363 16.599 10.963 1.00 0.00 H new ATOM 0 HD2 LYS A 560 70.246 16.913 12.872 1.00 0.00 H new ATOM 0 HD3 LYS A 560 69.529 16.298 11.395 1.00 0.00 H new ATOM 0 HE2 LYS A 560 70.419 14.252 11.723 1.00 0.00 H new ATOM 0 HE3 LYS A 560 72.030 14.916 11.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 71.327 13.750 13.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 71.531 15.402 14.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 69.970 14.758 14.054 1.00 0.00 H new ATOM 2032 N ALA A 561 72.697 21.957 10.804 1.00 0.00 N ATOM 2033 CA ALA A 561 72.789 23.304 11.352 1.00 0.00 C ATOM 2034 C ALA A 561 71.445 23.762 11.907 1.00 0.00 C ATOM 2035 O ALA A 561 70.741 22.927 12.515 1.00 0.00 O ATOM 2036 CB ALA A 561 73.282 24.282 10.297 1.00 0.00 C ATOM 2037 OXT ALA A 561 71.107 24.951 11.730 1.00 0.00 O ATOM 0 H ALA A 561 72.837 21.903 9.795 1.00 0.00 H new ATOM 0 HA ALA A 561 73.509 23.282 12.170 1.00 0.00 H new ATOM 0 HB1 ALA A 561 73.343 25.281 10.728 1.00 0.00 H new ATOM 0 HB2 ALA A 561 74.269 23.976 9.950 1.00 0.00 H new ATOM 0 HB3 ALA A 561 72.588 24.291 9.457 1.00 0.00 H new TER 2043 ALA A 561