USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 714 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 609 SER OG : rot 85:sc= -0.245 USER MOD Set 1.2: A 610 THR OG1 : rot 180:sc= 0.00819 USER MOD Set 2.1: A 601 ASN : amide:sc= 0 X(o=0,f=0.0034) USER MOD Set 2.2: A 606 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 545 ASN : amide:sc= -2.94! C(o=-2.3!,f=-2.5!) USER MOD Set 3.2: A 546 SER OG : rot 43:sc= 0.621 USER MOD Set 3.3: A 565 LYS NZ :NH3+ 158:sc=-0.00361 (180deg=-0.165) USER MOD Single : A 532 THR OG1 : rot 180:sc= 0 USER MOD Single : A 533 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 534 ASN : amide:sc= -1.98! C(o=-2!,f=-2.5!) USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 537 THR OG1 : rot 180:sc= 0 USER MOD Single : A 539 TYR OH : rot 180:sc= 0 USER MOD Single : A 540 TYR OH : rot 28:sc= -2.91! USER MOD Single : A 541 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 542 LYS NZ :NH3+ -143:sc= 0.00225 (180deg=0) USER MOD Single : A 548 TYR OH : rot 180:sc= 0 USER MOD Single : A 550 HIS : no HD1:sc= -4.3 K(o=-4.3,f=-3.6) USER MOD Single : A 551 TYR OH : rot 110:sc= -4.74! USER MOD Single : A 557 SER OG : rot 180:sc= -0.342 USER MOD Single : A 559 THR OG1 : rot 180:sc= 0 USER MOD Single : A 566 MET CE :methyl -154:sc= -6.31! (180deg=-9.1!) USER MOD Single : A 567 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 572 SER OG : rot 69:sc= 0.00682 USER MOD Single : A 574 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 LYS NZ :NH3+ -156:sc= 0.0852 (180deg=0.00731) USER MOD Single : A 578 THR OG1 : rot 180:sc= 0 USER MOD Single : A 583 SER OG : rot 180:sc= 0 USER MOD Single : A 585 SER OG : rot 180:sc= 0 USER MOD Single : A 586 GLN : amide:sc= -0.633 X(o=-0.63,f=-0.98) USER MOD Single : A 592 ASN : amide:sc= -9.04! C(o=-9!,f=-12!) USER MOD Single : A 595 ASN : amide:sc= -1.61 K(o=-1.6,f=-3.2!) USER MOD Single : A 596 ASN : amide:sc= -0.0627 X(o=-0.063,f=0.076) USER MOD Single : A 597 ASN : amide:sc= -0.0117 X(o=-0.012,f=-0.054) USER MOD Single : A 600 SER OG : rot 180:sc= 0.528 USER MOD Single : A 602 ASN : amide:sc= -0.269 K(o=-0.27,f=-2.2!) USER MOD Single : A 603 THR OG1 : rot -64:sc= 0.0269 USER MOD Single : A 604 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 605 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.7) USER MOD Single : A 612 THR OG1 : rot 180:sc= -0.0138 USER MOD Single : A 613 SER OG : rot 180:sc= 0 USER MOD Single : A 614 THR OG1 : rot 176:sc= -0.879 USER MOD Single : A 615 TYR OH : rot -178:sc= 0.15 USER MOD Single : A 616 THR OG1 : rot 180:sc= 0 USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 620 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 625 THR OG1 : rot 180:sc= -1.09! USER MOD Single : A 628 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 530 -1.359 26.042 -5.927 1.00 0.00 N ATOM 2 CA GLY A 530 -2.360 25.220 -5.269 1.00 0.00 C ATOM 3 C GLY A 530 -1.998 23.736 -5.361 1.00 0.00 C ATOM 4 O GLY A 530 -1.290 23.212 -4.503 1.00 0.00 O ATOM 0 HA2 GLY A 530 -2.446 25.513 -4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 530 -3.334 25.390 -5.728 1.00 0.00 H new ATOM 8 N GLY A 531 -2.500 23.102 -6.410 1.00 0.00 N ATOM 9 CA GLY A 531 -2.239 21.689 -6.626 1.00 0.00 C ATOM 10 C GLY A 531 -3.538 20.881 -6.597 1.00 0.00 C ATOM 11 O GLY A 531 -4.553 21.349 -6.085 1.00 0.00 O ATOM 0 H GLY A 531 -3.086 23.541 -7.120 1.00 0.00 H new ATOM 0 HA2 GLY A 531 -1.741 21.550 -7.586 1.00 0.00 H new ATOM 0 HA3 GLY A 531 -1.559 21.319 -5.858 1.00 0.00 H new ATOM 15 N THR A 532 -3.462 19.680 -7.154 1.00 0.00 N ATOM 16 CA THR A 532 -4.619 18.803 -7.199 1.00 0.00 C ATOM 17 C THR A 532 -4.360 17.536 -6.381 1.00 0.00 C ATOM 18 O THR A 532 -3.210 17.151 -6.174 1.00 0.00 O ATOM 19 CB THR A 532 -4.943 18.522 -8.667 1.00 0.00 C ATOM 20 OG1 THR A 532 -4.938 19.810 -9.277 1.00 0.00 O ATOM 21 CG2 THR A 532 -6.376 18.022 -8.866 1.00 0.00 C ATOM 0 H THR A 532 -2.618 19.295 -7.577 1.00 0.00 H new ATOM 0 HA THR A 532 -5.490 19.274 -6.743 1.00 0.00 H new ATOM 0 HB THR A 532 -4.243 17.783 -9.057 1.00 0.00 H new ATOM 0 HG1 THR A 532 -5.138 19.720 -10.232 1.00 0.00 H new ATOM 0 HG21 THR A 532 -6.553 17.838 -9.926 1.00 0.00 H new ATOM 0 HG22 THR A 532 -6.519 17.097 -8.308 1.00 0.00 H new ATOM 0 HG23 THR A 532 -7.077 18.775 -8.506 1.00 0.00 H new ATOM 29 N THR A 533 -5.447 16.923 -5.938 1.00 0.00 N ATOM 30 CA THR A 533 -5.352 15.708 -5.147 1.00 0.00 C ATOM 31 C THR A 533 -5.053 14.507 -6.047 1.00 0.00 C ATOM 32 O THR A 533 -5.748 14.280 -7.037 1.00 0.00 O ATOM 33 CB THR A 533 -6.648 15.560 -4.348 1.00 0.00 C ATOM 34 OG1 THR A 533 -7.662 16.003 -5.247 1.00 0.00 O ATOM 35 CG2 THR A 533 -6.731 16.543 -3.179 1.00 0.00 C ATOM 0 H THR A 533 -6.399 17.245 -6.112 1.00 0.00 H new ATOM 0 HA THR A 533 -4.523 15.760 -4.441 1.00 0.00 H new ATOM 0 HB THR A 533 -6.727 14.540 -3.971 1.00 0.00 H new ATOM 0 HG1 THR A 533 -8.537 15.939 -4.810 1.00 0.00 H new ATOM 0 HG21 THR A 533 -7.670 16.395 -2.646 1.00 0.00 H new ATOM 0 HG22 THR A 533 -5.897 16.371 -2.499 1.00 0.00 H new ATOM 0 HG23 THR A 533 -6.686 17.564 -3.558 1.00 0.00 H new ATOM 43 N ASN A 534 -4.017 13.771 -5.673 1.00 0.00 N ATOM 44 CA ASN A 534 -3.617 12.600 -6.434 1.00 0.00 C ATOM 45 C ASN A 534 -3.961 11.338 -5.640 1.00 0.00 C ATOM 46 O ASN A 534 -4.391 11.422 -4.491 1.00 0.00 O ATOM 47 CB ASN A 534 -2.110 12.599 -6.693 1.00 0.00 C ATOM 48 CG ASN A 534 -1.809 12.768 -8.184 1.00 0.00 C ATOM 49 OD1 ASN A 534 -2.490 12.236 -9.045 1.00 0.00 O ATOM 50 ND2 ASN A 534 -0.754 13.536 -8.439 1.00 0.00 N ATOM 0 H ASN A 534 -3.442 13.963 -4.853 1.00 0.00 H new ATOM 0 HA ASN A 534 -4.146 12.621 -7.387 1.00 0.00 H new ATOM 0 HB2 ASN A 534 -1.640 13.405 -6.130 1.00 0.00 H new ATOM 0 HB3 ASN A 534 -1.677 11.665 -6.334 1.00 0.00 H new ATOM 0 HD21 ASN A 534 -0.471 13.710 -9.403 1.00 0.00 H new ATOM 0 HD22 ASN A 534 -0.228 13.951 -7.670 1.00 0.00 H new ATOM 57 N LYS A 535 -3.758 10.198 -6.283 1.00 0.00 N ATOM 58 CA LYS A 535 -4.041 8.921 -5.651 1.00 0.00 C ATOM 59 C LYS A 535 -3.020 7.884 -6.126 1.00 0.00 C ATOM 60 O LYS A 535 -2.371 8.073 -7.154 1.00 0.00 O ATOM 61 CB LYS A 535 -5.494 8.511 -5.898 1.00 0.00 C ATOM 62 CG LYS A 535 -6.462 9.508 -5.259 1.00 0.00 C ATOM 63 CD LYS A 535 -7.819 8.858 -4.987 1.00 0.00 C ATOM 64 CE LYS A 535 -8.674 8.822 -6.255 1.00 0.00 C ATOM 65 NZ LYS A 535 -10.083 8.515 -5.923 1.00 0.00 N ATOM 0 H LYS A 535 -3.401 10.132 -7.236 1.00 0.00 H new ATOM 0 HA LYS A 535 -3.936 9.000 -4.569 1.00 0.00 H new ATOM 0 HB2 LYS A 535 -5.682 8.453 -6.970 1.00 0.00 H new ATOM 0 HB3 LYS A 535 -5.669 7.516 -5.489 1.00 0.00 H new ATOM 0 HG2 LYS A 535 -6.041 9.882 -4.326 1.00 0.00 H new ATOM 0 HG3 LYS A 535 -6.592 10.367 -5.917 1.00 0.00 H new ATOM 0 HD2 LYS A 535 -7.672 7.844 -4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 535 -8.342 9.412 -4.207 1.00 0.00 H new ATOM 0 HE2 LYS A 535 -8.616 9.783 -6.767 1.00 0.00 H new ATOM 0 HE3 LYS A 535 -8.284 8.071 -6.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 -10.649 8.495 -6.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 -10.135 7.588 -5.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 -10.457 9.247 -5.285 1.00 0.00 H new ATOM 78 N VAL A 536 -2.910 6.813 -5.354 1.00 0.00 N ATOM 79 CA VAL A 536 -1.979 5.747 -5.683 1.00 0.00 C ATOM 80 C VAL A 536 -2.717 4.407 -5.659 1.00 0.00 C ATOM 81 O VAL A 536 -3.485 4.133 -4.738 1.00 0.00 O ATOM 82 CB VAL A 536 -0.781 5.786 -4.732 1.00 0.00 C ATOM 83 CG1 VAL A 536 -1.237 5.723 -3.273 1.00 0.00 C ATOM 84 CG2 VAL A 536 0.206 4.661 -5.047 1.00 0.00 C ATOM 0 H VAL A 536 -3.450 6.661 -4.502 1.00 0.00 H new ATOM 0 HA VAL A 536 -1.583 5.883 -6.689 1.00 0.00 H new ATOM 0 HB VAL A 536 -0.266 6.735 -4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 536 -0.366 5.752 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 536 -1.883 6.574 -3.057 1.00 0.00 H new ATOM 0 HG13 VAL A 536 -1.787 4.798 -3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 536 1.048 4.712 -4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -0.294 3.698 -4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 536 0.568 4.770 -6.069 1.00 0.00 H new ATOM 94 N THR A 537 -2.458 3.607 -6.683 1.00 0.00 N ATOM 95 CA THR A 537 -3.088 2.302 -6.792 1.00 0.00 C ATOM 96 C THR A 537 -2.115 1.203 -6.361 1.00 0.00 C ATOM 97 O THR A 537 -1.015 1.095 -6.901 1.00 0.00 O ATOM 98 CB THR A 537 -3.592 2.138 -8.227 1.00 0.00 C ATOM 99 OG1 THR A 537 -4.674 3.061 -8.322 1.00 0.00 O ATOM 100 CG2 THR A 537 -4.244 0.775 -8.467 1.00 0.00 C ATOM 0 H THR A 537 -1.820 3.837 -7.445 1.00 0.00 H new ATOM 0 HA THR A 537 -3.943 2.218 -6.121 1.00 0.00 H new ATOM 0 HB THR A 537 -2.761 2.270 -8.920 1.00 0.00 H new ATOM 0 HG1 THR A 537 -5.059 3.022 -9.222 1.00 0.00 H new ATOM 0 HG21 THR A 537 -4.584 0.711 -9.501 1.00 0.00 H new ATOM 0 HG22 THR A 537 -3.518 -0.015 -8.274 1.00 0.00 H new ATOM 0 HG23 THR A 537 -5.096 0.656 -7.797 1.00 0.00 H new ATOM 108 N VAL A 538 -2.555 0.414 -5.392 1.00 0.00 N ATOM 109 CA VAL A 538 -1.737 -0.673 -4.882 1.00 0.00 C ATOM 110 C VAL A 538 -2.538 -1.976 -4.932 1.00 0.00 C ATOM 111 O VAL A 538 -3.654 -2.043 -4.418 1.00 0.00 O ATOM 112 CB VAL A 538 -1.233 -0.335 -3.477 1.00 0.00 C ATOM 113 CG1 VAL A 538 0.102 -1.026 -3.192 1.00 0.00 C ATOM 114 CG2 VAL A 538 -1.119 1.178 -3.285 1.00 0.00 C ATOM 0 H VAL A 538 -3.468 0.506 -4.946 1.00 0.00 H new ATOM 0 HA VAL A 538 -0.854 -0.810 -5.505 1.00 0.00 H new ATOM 0 HB VAL A 538 -1.964 -0.710 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 538 0.438 -0.769 -2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 538 -0.024 -2.106 -3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 538 0.845 -0.696 -3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 538 -0.759 1.391 -2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 538 -0.419 1.586 -4.015 1.00 0.00 H new ATOM 0 HG23 VAL A 538 -2.098 1.637 -3.425 1.00 0.00 H new ATOM 124 N TYR A 539 -1.938 -2.979 -5.556 1.00 0.00 N ATOM 125 CA TYR A 539 -2.582 -4.276 -5.680 1.00 0.00 C ATOM 126 C TYR A 539 -1.852 -5.332 -4.847 1.00 0.00 C ATOM 127 O TYR A 539 -0.646 -5.519 -4.995 1.00 0.00 O ATOM 128 CB TYR A 539 -2.486 -4.654 -7.159 1.00 0.00 C ATOM 129 CG TYR A 539 -3.796 -4.485 -7.931 1.00 0.00 C ATOM 130 CD1 TYR A 539 -4.398 -3.245 -8.007 1.00 0.00 C ATOM 131 CD2 TYR A 539 -4.377 -5.572 -8.551 1.00 0.00 C ATOM 132 CE1 TYR A 539 -5.631 -3.086 -8.733 1.00 0.00 C ATOM 133 CE2 TYR A 539 -5.610 -5.413 -9.277 1.00 0.00 C ATOM 134 CZ TYR A 539 -6.176 -4.178 -9.332 1.00 0.00 C ATOM 135 OH TYR A 539 -7.341 -4.028 -10.018 1.00 0.00 O ATOM 0 H TYR A 539 -1.013 -2.920 -5.981 1.00 0.00 H new ATOM 0 HA TYR A 539 -3.612 -4.229 -5.327 1.00 0.00 H new ATOM 0 HB2 TYR A 539 -1.717 -4.042 -7.631 1.00 0.00 H new ATOM 0 HB3 TYR A 539 -2.161 -5.691 -7.238 1.00 0.00 H new ATOM 0 HD1 TYR A 539 -3.944 -2.394 -7.522 1.00 0.00 H new ATOM 0 HD2 TYR A 539 -3.907 -6.542 -8.492 1.00 0.00 H new ATOM 0 HE1 TYR A 539 -6.112 -2.121 -8.800 1.00 0.00 H new ATOM 0 HE2 TYR A 539 -6.075 -6.256 -9.767 1.00 0.00 H new ATOM 0 HH TYR A 539 -7.613 -4.891 -10.394 1.00 0.00 H new ATOM 145 N TYR A 540 -2.616 -5.994 -3.990 1.00 0.00 N ATOM 146 CA TYR A 540 -2.057 -7.027 -3.134 1.00 0.00 C ATOM 147 C TYR A 540 -2.500 -8.418 -3.592 1.00 0.00 C ATOM 148 O TYR A 540 -3.649 -8.608 -3.989 1.00 0.00 O ATOM 149 CB TYR A 540 -2.615 -6.762 -1.735 1.00 0.00 C ATOM 150 CG TYR A 540 -2.443 -7.932 -0.764 1.00 0.00 C ATOM 151 CD1 TYR A 540 -1.240 -8.604 -0.700 1.00 0.00 C ATOM 152 CD2 TYR A 540 -3.492 -8.315 0.048 1.00 0.00 C ATOM 153 CE1 TYR A 540 -1.078 -9.705 0.214 1.00 0.00 C ATOM 154 CE2 TYR A 540 -3.330 -9.416 0.961 1.00 0.00 C ATOM 155 CZ TYR A 540 -2.131 -10.057 0.999 1.00 0.00 C ATOM 156 OH TYR A 540 -1.977 -11.097 1.862 1.00 0.00 O ATOM 0 H TYR A 540 -3.616 -5.835 -3.870 1.00 0.00 H new ATOM 0 HA TYR A 540 -0.968 -7.001 -3.162 1.00 0.00 H new ATOM 0 HB2 TYR A 540 -2.123 -5.883 -1.319 1.00 0.00 H new ATOM 0 HB3 TYR A 540 -3.676 -6.524 -1.817 1.00 0.00 H new ATOM 0 HD1 TYR A 540 -0.420 -8.304 -1.335 1.00 0.00 H new ATOM 0 HD2 TYR A 540 -4.434 -7.789 -0.002 1.00 0.00 H new ATOM 0 HE1 TYR A 540 -0.141 -10.239 0.275 1.00 0.00 H new ATOM 0 HE2 TYR A 540 -4.142 -9.726 1.602 1.00 0.00 H new ATOM 0 HH TYR A 540 -1.035 -11.171 2.120 1.00 0.00 H new ATOM 166 N LYS A 541 -1.566 -9.354 -3.522 1.00 0.00 N ATOM 167 CA LYS A 541 -1.845 -10.722 -3.924 1.00 0.00 C ATOM 168 C LYS A 541 -2.209 -11.548 -2.688 1.00 0.00 C ATOM 169 O LYS A 541 -1.534 -11.468 -1.663 1.00 0.00 O ATOM 170 CB LYS A 541 -0.674 -11.296 -4.724 1.00 0.00 C ATOM 171 CG LYS A 541 -1.155 -12.357 -5.715 1.00 0.00 C ATOM 172 CD LYS A 541 0.029 -13.047 -6.397 1.00 0.00 C ATOM 173 CE LYS A 541 -0.201 -14.556 -6.499 1.00 0.00 C ATOM 174 NZ LYS A 541 0.941 -15.210 -7.176 1.00 0.00 N ATOM 0 H LYS A 541 -0.614 -9.192 -3.193 1.00 0.00 H new ATOM 0 HA LYS A 541 -2.704 -10.754 -4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -0.168 -10.494 -5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 541 0.056 -11.733 -4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -1.762 -13.098 -5.194 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -1.794 -11.894 -6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 541 0.173 -12.629 -7.393 1.00 0.00 H new ATOM 0 HD3 LYS A 541 0.942 -12.852 -5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 541 -0.331 -14.978 -5.502 1.00 0.00 H new ATOM 0 HE3 LYS A 541 -1.120 -14.753 -7.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 0.769 -16.234 -7.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 1.047 -14.819 -8.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 1.811 -15.037 -6.634 1.00 0.00 H new ATOM 187 N LYS A 542 -3.275 -12.323 -2.827 1.00 0.00 N ATOM 188 CA LYS A 542 -3.737 -13.163 -1.735 1.00 0.00 C ATOM 189 C LYS A 542 -3.213 -14.587 -1.935 1.00 0.00 C ATOM 190 O LYS A 542 -3.653 -15.292 -2.842 1.00 0.00 O ATOM 191 CB LYS A 542 -5.259 -13.081 -1.602 1.00 0.00 C ATOM 192 CG LYS A 542 -5.688 -13.189 -0.138 1.00 0.00 C ATOM 193 CD LYS A 542 -7.213 -13.177 -0.011 1.00 0.00 C ATOM 194 CE LYS A 542 -7.771 -11.771 -0.238 1.00 0.00 C ATOM 195 NZ LYS A 542 -9.199 -11.712 0.146 1.00 0.00 N ATOM 0 H LYS A 542 -3.832 -12.387 -3.679 1.00 0.00 H new ATOM 0 HA LYS A 542 -3.338 -12.806 -0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 542 -5.614 -12.139 -2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 542 -5.722 -13.881 -2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 542 -5.291 -14.107 0.294 1.00 0.00 H new ATOM 0 HG3 LYS A 542 -5.266 -12.360 0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 542 -7.647 -13.866 -0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 542 -7.502 -13.531 0.978 1.00 0.00 H new ATOM 0 HE2 LYS A 542 -7.201 -11.048 0.346 1.00 0.00 H new ATOM 0 HE3 LYS A 542 -7.658 -11.493 -1.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 542 -9.710 -11.091 -0.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 542 -9.608 -12.668 0.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 542 -9.284 -11.335 1.112 1.00 0.00 H new ATOM 208 N GLY A 543 -2.280 -14.966 -1.075 1.00 0.00 N ATOM 209 CA GLY A 543 -1.815 -14.069 -0.031 1.00 0.00 C ATOM 210 C GLY A 543 -2.614 -14.266 1.258 1.00 0.00 C ATOM 211 O GLY A 543 -3.561 -15.051 1.292 1.00 0.00 O ATOM 0 H GLY A 543 -1.833 -15.883 -1.080 1.00 0.00 H new ATOM 0 HA2 GLY A 543 -0.757 -14.247 0.162 1.00 0.00 H new ATOM 0 HA3 GLY A 543 -1.908 -13.036 -0.366 1.00 0.00 H new ATOM 215 N PHE A 544 -2.204 -13.540 2.288 1.00 0.00 N ATOM 216 CA PHE A 544 -2.871 -13.625 3.577 1.00 0.00 C ATOM 217 C PHE A 544 -4.384 -13.465 3.423 1.00 0.00 C ATOM 218 O PHE A 544 -4.893 -13.384 2.306 1.00 0.00 O ATOM 219 CB PHE A 544 -2.333 -12.479 4.435 1.00 0.00 C ATOM 220 CG PHE A 544 -0.836 -12.577 4.737 1.00 0.00 C ATOM 221 CD1 PHE A 544 -0.368 -13.567 5.543 1.00 0.00 C ATOM 222 CD2 PHE A 544 0.027 -11.673 4.200 1.00 0.00 C ATOM 223 CE1 PHE A 544 1.021 -13.658 5.823 1.00 0.00 C ATOM 224 CE2 PHE A 544 1.416 -11.764 4.480 1.00 0.00 C ATOM 225 CZ PHE A 544 1.884 -12.754 5.286 1.00 0.00 C ATOM 0 H PHE A 544 -1.418 -12.890 2.256 1.00 0.00 H new ATOM 0 HA PHE A 544 -2.680 -14.597 4.031 1.00 0.00 H new ATOM 0 HB2 PHE A 544 -2.530 -11.535 3.927 1.00 0.00 H new ATOM 0 HB3 PHE A 544 -2.882 -12.455 5.376 1.00 0.00 H new ATOM 0 HD1 PHE A 544 -1.053 -14.284 5.970 1.00 0.00 H new ATOM 0 HD2 PHE A 544 -0.344 -10.886 3.561 1.00 0.00 H new ATOM 0 HE1 PHE A 544 1.392 -14.445 6.462 1.00 0.00 H new ATOM 0 HE2 PHE A 544 2.101 -11.047 4.053 1.00 0.00 H new ATOM 0 HZ PHE A 544 2.940 -12.823 5.500 1.00 0.00 H new ATOM 235 N ASN A 545 -5.062 -13.424 4.561 1.00 0.00 N ATOM 236 CA ASN A 545 -6.507 -13.274 4.566 1.00 0.00 C ATOM 237 C ASN A 545 -6.869 -11.839 4.178 1.00 0.00 C ATOM 238 O ASN A 545 -7.616 -11.620 3.226 1.00 0.00 O ATOM 239 CB ASN A 545 -7.083 -13.547 5.957 1.00 0.00 C ATOM 240 CG ASN A 545 -6.230 -12.889 7.043 1.00 0.00 C ATOM 241 OD1 ASN A 545 -6.481 -11.777 7.477 1.00 0.00 O ATOM 242 ND2 ASN A 545 -5.209 -13.635 7.456 1.00 0.00 N ATOM 0 H ASN A 545 -4.637 -13.492 5.486 1.00 0.00 H new ATOM 0 HA ASN A 545 -6.923 -13.989 3.856 1.00 0.00 H new ATOM 0 HB2 ASN A 545 -8.104 -13.169 6.012 1.00 0.00 H new ATOM 0 HB3 ASN A 545 -7.132 -14.622 6.130 1.00 0.00 H new ATOM 0 HD21 ASN A 545 -4.580 -13.284 8.178 1.00 0.00 H new ATOM 0 HD22 ASN A 545 -5.055 -14.558 7.051 1.00 0.00 H new ATOM 249 N SER A 546 -6.321 -10.899 4.934 1.00 0.00 N ATOM 250 CA SER A 546 -6.576 -9.492 4.681 1.00 0.00 C ATOM 251 C SER A 546 -5.779 -8.630 5.662 1.00 0.00 C ATOM 252 O SER A 546 -6.336 -8.100 6.622 1.00 0.00 O ATOM 253 CB SER A 546 -8.069 -9.175 4.788 1.00 0.00 C ATOM 254 OG SER A 546 -8.591 -9.491 6.076 1.00 0.00 O ATOM 0 H SER A 546 -5.701 -11.085 5.722 1.00 0.00 H new ATOM 0 HA SER A 546 -6.255 -9.264 3.664 1.00 0.00 H new ATOM 0 HB2 SER A 546 -8.231 -8.117 4.581 1.00 0.00 H new ATOM 0 HB3 SER A 546 -8.614 -9.736 4.028 1.00 0.00 H new ATOM 0 HG SER A 546 -7.960 -9.196 6.766 1.00 0.00 H new ATOM 260 N PRO A 547 -4.454 -8.514 5.380 1.00 0.00 N ATOM 261 CA PRO A 547 -3.574 -7.726 6.226 1.00 0.00 C ATOM 262 C PRO A 547 -3.789 -6.229 5.996 1.00 0.00 C ATOM 263 O PRO A 547 -4.004 -5.795 4.866 1.00 0.00 O ATOM 264 CB PRO A 547 -2.170 -8.186 5.871 1.00 0.00 C ATOM 265 CG PRO A 547 -2.286 -8.873 4.520 1.00 0.00 C ATOM 266 CD PRO A 547 -3.760 -9.129 4.252 1.00 0.00 C ATOM 0 HA PRO A 547 -3.769 -7.873 7.288 1.00 0.00 H new ATOM 0 HB2 PRO A 547 -1.483 -7.341 5.822 1.00 0.00 H new ATOM 0 HB3 PRO A 547 -1.781 -8.870 6.625 1.00 0.00 H new ATOM 0 HG2 PRO A 547 -1.858 -8.248 3.736 1.00 0.00 H new ATOM 0 HG3 PRO A 547 -1.730 -9.810 4.519 1.00 0.00 H new ATOM 0 HD2 PRO A 547 -4.073 -8.687 3.306 1.00 0.00 H new ATOM 0 HD3 PRO A 547 -3.972 -10.196 4.191 1.00 0.00 H new ATOM 274 N TYR A 548 -3.724 -5.480 7.087 1.00 0.00 N ATOM 275 CA TYR A 548 -3.909 -4.040 7.019 1.00 0.00 C ATOM 276 C TYR A 548 -2.631 -3.345 6.544 1.00 0.00 C ATOM 277 O TYR A 548 -1.528 -3.756 6.899 1.00 0.00 O ATOM 278 CB TYR A 548 -4.221 -3.587 8.446 1.00 0.00 C ATOM 279 CG TYR A 548 -5.716 -3.514 8.763 1.00 0.00 C ATOM 280 CD1 TYR A 548 -6.396 -4.651 9.147 1.00 0.00 C ATOM 281 CD2 TYR A 548 -6.384 -2.310 8.664 1.00 0.00 C ATOM 282 CE1 TYR A 548 -7.804 -4.583 9.445 1.00 0.00 C ATOM 283 CE2 TYR A 548 -7.792 -2.242 8.962 1.00 0.00 C ATOM 284 CZ TYR A 548 -8.432 -3.381 9.338 1.00 0.00 C ATOM 285 OH TYR A 548 -9.761 -3.316 9.619 1.00 0.00 O ATOM 0 H TYR A 548 -3.546 -5.843 8.023 1.00 0.00 H new ATOM 0 HA TYR A 548 -4.704 -3.788 6.317 1.00 0.00 H new ATOM 0 HB2 TYR A 548 -3.745 -4.273 9.146 1.00 0.00 H new ATOM 0 HB3 TYR A 548 -3.777 -2.605 8.610 1.00 0.00 H new ATOM 0 HD1 TYR A 548 -5.873 -5.593 9.224 1.00 0.00 H new ATOM 0 HD2 TYR A 548 -5.852 -1.420 8.363 1.00 0.00 H new ATOM 0 HE1 TYR A 548 -8.348 -5.466 9.746 1.00 0.00 H new ATOM 0 HE2 TYR A 548 -8.327 -1.307 8.888 1.00 0.00 H new ATOM 0 HH TYR A 548 -10.076 -2.395 9.501 1.00 0.00 H new ATOM 295 N ILE A 549 -2.823 -2.304 5.747 1.00 0.00 N ATOM 296 CA ILE A 549 -1.700 -1.548 5.220 1.00 0.00 C ATOM 297 C ILE A 549 -1.772 -0.109 5.734 1.00 0.00 C ATOM 298 O ILE A 549 -2.854 0.472 5.813 1.00 0.00 O ATOM 299 CB ILE A 549 -1.651 -1.654 3.694 1.00 0.00 C ATOM 300 CG1 ILE A 549 -2.138 -0.360 3.039 1.00 0.00 C ATOM 301 CG2 ILE A 549 -2.434 -2.874 3.205 1.00 0.00 C ATOM 302 CD1 ILE A 549 -3.632 -0.147 3.289 1.00 0.00 C ATOM 0 H ILE A 549 -3.740 -1.966 5.454 1.00 0.00 H new ATOM 0 HA ILE A 549 -0.759 -1.967 5.576 1.00 0.00 H new ATOM 0 HB ILE A 549 -0.613 -1.796 3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -1.575 0.486 3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -1.947 -0.397 1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -2.384 -2.927 2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -2.002 -3.779 3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -3.475 -2.787 3.516 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -3.952 0.780 2.813 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -4.194 -0.983 2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -3.816 -0.086 4.362 1.00 0.00 H new ATOM 314 N HIS A 550 -0.607 0.425 6.071 1.00 0.00 N ATOM 315 CA HIS A 550 -0.525 1.785 6.575 1.00 0.00 C ATOM 316 C HIS A 550 0.449 2.593 5.716 1.00 0.00 C ATOM 317 O HIS A 550 1.625 2.247 5.612 1.00 0.00 O ATOM 318 CB HIS A 550 -0.154 1.793 8.059 1.00 0.00 C ATOM 319 CG HIS A 550 -0.649 3.005 8.810 1.00 0.00 C ATOM 320 ND1 HIS A 550 -1.410 3.997 8.215 1.00 0.00 N ATOM 321 CD2 HIS A 550 -0.485 3.376 10.113 1.00 0.00 C ATOM 322 CE1 HIS A 550 -1.685 4.917 9.128 1.00 0.00 C ATOM 323 NE2 HIS A 550 -1.111 4.531 10.303 1.00 0.00 N ATOM 0 H HIS A 550 0.288 -0.060 6.005 1.00 0.00 H new ATOM 0 HA HIS A 550 -1.502 2.263 6.502 1.00 0.00 H new ATOM 0 HB2 HIS A 550 -0.559 0.897 8.529 1.00 0.00 H new ATOM 0 HB3 HIS A 550 0.931 1.739 8.152 1.00 0.00 H new ATOM 0 HD2 HIS A 550 0.062 2.823 10.863 1.00 0.00 H new ATOM 0 HE1 HIS A 550 -2.263 5.816 8.969 1.00 0.00 H new ATOM 0 HE2 HIS A 550 -1.155 5.045 11.183 1.00 0.00 H new ATOM 331 N TYR A 551 -0.076 3.655 5.122 1.00 0.00 N ATOM 332 CA TYR A 551 0.732 4.515 4.275 1.00 0.00 C ATOM 333 C TYR A 551 0.483 5.990 4.595 1.00 0.00 C ATOM 334 O TYR A 551 -0.534 6.336 5.194 1.00 0.00 O ATOM 335 CB TYR A 551 0.285 4.235 2.839 1.00 0.00 C ATOM 336 CG TYR A 551 -1.147 3.709 2.726 1.00 0.00 C ATOM 337 CD1 TYR A 551 -2.183 4.390 3.332 1.00 0.00 C ATOM 338 CD2 TYR A 551 -1.404 2.553 2.017 1.00 0.00 C ATOM 339 CE1 TYR A 551 -3.531 3.895 3.225 1.00 0.00 C ATOM 340 CE2 TYR A 551 -2.752 2.058 1.909 1.00 0.00 C ATOM 341 CZ TYR A 551 -3.749 2.753 2.519 1.00 0.00 C ATOM 342 OH TYR A 551 -5.022 2.286 2.418 1.00 0.00 O ATOM 0 H TYR A 551 -1.052 3.939 5.211 1.00 0.00 H new ATOM 0 HA TYR A 551 1.793 4.317 4.429 1.00 0.00 H new ATOM 0 HB2 TYR A 551 0.371 5.152 2.257 1.00 0.00 H new ATOM 0 HB3 TYR A 551 0.964 3.509 2.393 1.00 0.00 H new ATOM 0 HD1 TYR A 551 -1.983 5.295 3.887 1.00 0.00 H new ATOM 0 HD2 TYR A 551 -0.594 2.019 1.543 1.00 0.00 H new ATOM 0 HE1 TYR A 551 -4.350 4.419 3.695 1.00 0.00 H new ATOM 0 HE2 TYR A 551 -2.966 1.155 1.356 1.00 0.00 H new ATOM 0 HH TYR A 551 -5.340 2.400 1.498 1.00 0.00 H new ATOM 352 N ARG A 552 1.430 6.821 4.182 1.00 0.00 N ATOM 353 CA ARG A 552 1.326 8.251 4.418 1.00 0.00 C ATOM 354 C ARG A 552 1.944 9.027 3.253 1.00 0.00 C ATOM 355 O ARG A 552 2.685 8.461 2.450 1.00 0.00 O ATOM 356 CB ARG A 552 2.029 8.648 5.717 1.00 0.00 C ATOM 357 CG ARG A 552 3.499 8.989 5.463 1.00 0.00 C ATOM 358 CD ARG A 552 3.818 10.414 5.918 1.00 0.00 C ATOM 359 NE ARG A 552 5.228 10.740 5.610 1.00 0.00 N ATOM 360 CZ ARG A 552 5.968 11.632 6.303 1.00 0.00 C ATOM 361 NH1 ARG A 552 5.436 12.295 7.352 1.00 0.00 N ATOM 362 NH2 ARG A 552 7.219 11.845 5.941 1.00 0.00 N ATOM 0 H ARG A 552 2.272 6.531 3.686 1.00 0.00 H new ATOM 0 HA ARG A 552 0.267 8.497 4.502 1.00 0.00 H new ATOM 0 HB2 ARG A 552 1.524 9.506 6.160 1.00 0.00 H new ATOM 0 HB3 ARG A 552 1.960 7.832 6.436 1.00 0.00 H new ATOM 0 HG2 ARG A 552 4.137 8.283 5.994 1.00 0.00 H new ATOM 0 HG3 ARG A 552 3.722 8.884 4.401 1.00 0.00 H new ATOM 0 HD2 ARG A 552 3.155 11.121 5.419 1.00 0.00 H new ATOM 0 HD3 ARG A 552 3.639 10.511 6.989 1.00 0.00 H new ATOM 0 HE ARG A 552 5.669 10.261 4.825 1.00 0.00 H new ATOM 0 HH11 ARG A 552 4.469 12.124 7.626 1.00 0.00 H new ATOM 0 HH12 ARG A 552 6.002 12.967 7.870 1.00 0.00 H new ATOM 0 HH21 ARG A 552 7.614 11.339 5.148 1.00 0.00 H new ATOM 0 HH22 ARG A 552 7.791 12.516 6.454 1.00 0.00 H new ATOM 375 N PRO A 553 1.609 10.343 3.197 1.00 0.00 N ATOM 376 CA PRO A 553 2.124 11.203 2.145 1.00 0.00 C ATOM 377 C PRO A 553 3.593 11.551 2.391 1.00 0.00 C ATOM 378 O PRO A 553 4.083 11.434 3.513 1.00 0.00 O ATOM 379 CB PRO A 553 1.215 12.421 2.152 1.00 0.00 C ATOM 380 CG PRO A 553 0.519 12.414 3.503 1.00 0.00 C ATOM 381 CD PRO A 553 0.735 11.047 4.131 1.00 0.00 C ATOM 0 HA PRO A 553 2.115 10.722 1.167 1.00 0.00 H new ATOM 0 HB2 PRO A 553 1.789 13.337 2.013 1.00 0.00 H new ATOM 0 HB3 PRO A 553 0.490 12.372 1.339 1.00 0.00 H new ATOM 0 HG2 PRO A 553 0.923 13.197 4.145 1.00 0.00 H new ATOM 0 HG3 PRO A 553 -0.546 12.616 3.385 1.00 0.00 H new ATOM 0 HD2 PRO A 553 1.195 11.132 5.116 1.00 0.00 H new ATOM 0 HD3 PRO A 553 -0.209 10.519 4.264 1.00 0.00 H new ATOM 389 N ALA A 554 4.255 11.972 1.323 1.00 0.00 N ATOM 390 CA ALA A 554 5.659 12.339 1.409 1.00 0.00 C ATOM 391 C ALA A 554 5.927 13.001 2.762 1.00 0.00 C ATOM 392 O ALA A 554 6.634 12.444 3.601 1.00 0.00 O ATOM 393 CB ALA A 554 6.022 13.248 0.233 1.00 0.00 C ATOM 0 H ALA A 554 3.845 12.067 0.394 1.00 0.00 H new ATOM 0 HA ALA A 554 6.292 11.454 1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 554 7.075 13.523 0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 554 5.841 12.721 -0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 554 5.409 14.149 0.266 1.00 0.00 H new ATOM 399 N GLY A 555 5.347 14.180 2.933 1.00 0.00 N ATOM 400 CA GLY A 555 5.515 14.924 4.171 1.00 0.00 C ATOM 401 C GLY A 555 4.187 15.529 4.630 1.00 0.00 C ATOM 402 O GLY A 555 3.906 16.696 4.362 1.00 0.00 O ATOM 0 H GLY A 555 4.761 14.639 2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 555 5.906 14.264 4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 555 6.249 15.716 4.027 1.00 0.00 H new ATOM 406 N GLY A 556 3.404 14.707 5.315 1.00 0.00 N ATOM 407 CA GLY A 556 2.113 15.147 5.815 1.00 0.00 C ATOM 408 C GLY A 556 1.824 14.545 7.191 1.00 0.00 C ATOM 409 O GLY A 556 2.215 15.107 8.213 1.00 0.00 O ATOM 0 H GLY A 556 3.639 13.739 5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 556 2.095 16.235 5.879 1.00 0.00 H new ATOM 0 HA3 GLY A 556 1.330 14.856 5.115 1.00 0.00 H new ATOM 413 N SER A 557 1.141 13.409 7.174 1.00 0.00 N ATOM 414 CA SER A 557 0.795 12.725 8.408 1.00 0.00 C ATOM 415 C SER A 557 0.412 11.274 8.112 1.00 0.00 C ATOM 416 O SER A 557 0.235 10.898 6.954 1.00 0.00 O ATOM 417 CB SER A 557 -0.348 13.439 9.132 1.00 0.00 C ATOM 418 OG SER A 557 -0.763 12.735 10.299 1.00 0.00 O ATOM 0 H SER A 557 0.818 12.946 6.325 1.00 0.00 H new ATOM 0 HA SER A 557 1.667 12.738 9.062 1.00 0.00 H new ATOM 0 HB2 SER A 557 -0.030 14.444 9.409 1.00 0.00 H new ATOM 0 HB3 SER A 557 -1.195 13.548 8.454 1.00 0.00 H new ATOM 0 HG SER A 557 -1.493 13.224 10.734 1.00 0.00 H new ATOM 424 N TRP A 558 0.294 10.497 9.179 1.00 0.00 N ATOM 425 CA TRP A 558 -0.065 9.095 9.048 1.00 0.00 C ATOM 426 C TRP A 558 -1.557 8.958 9.356 1.00 0.00 C ATOM 427 O TRP A 558 -2.081 9.653 10.225 1.00 0.00 O ATOM 428 CB TRP A 558 0.813 8.218 9.943 1.00 0.00 C ATOM 429 CG TRP A 558 2.220 7.978 9.392 1.00 0.00 C ATOM 430 CD1 TRP A 558 3.322 8.711 9.597 1.00 0.00 C ATOM 431 CD2 TRP A 558 2.633 6.895 8.532 1.00 0.00 C ATOM 432 NE1 TRP A 558 4.412 8.183 8.934 1.00 0.00 N ATOM 433 CE2 TRP A 558 3.979 7.043 8.266 1.00 0.00 C ATOM 434 CE3 TRP A 558 1.894 5.826 7.996 1.00 0.00 C ATOM 435 CZ2 TRP A 558 4.703 6.159 7.457 1.00 0.00 C ATOM 436 CZ3 TRP A 558 2.632 4.951 7.189 1.00 0.00 C ATOM 437 CH2 TRP A 558 3.987 5.086 6.912 1.00 0.00 C ATOM 0 H TRP A 558 0.441 10.812 10.138 1.00 0.00 H new ATOM 0 HA TRP A 558 0.114 8.745 8.032 1.00 0.00 H new ATOM 0 HB2 TRP A 558 0.893 8.684 10.925 1.00 0.00 H new ATOM 0 HB3 TRP A 558 0.321 7.256 10.086 1.00 0.00 H new ATOM 0 HD1 TRP A 558 3.354 9.603 10.205 1.00 0.00 H new ATOM 0 HE1 TRP A 558 5.360 8.560 8.934 1.00 0.00 H new ATOM 0 HE3 TRP A 558 0.840 5.690 8.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 558 5.757 6.297 7.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 558 2.111 4.112 6.751 1.00 0.00 H new ATOM 0 HH2 TRP A 558 4.486 4.367 6.279 1.00 0.00 H new ATOM 448 N THR A 559 -2.200 8.058 8.626 1.00 0.00 N ATOM 449 CA THR A 559 -3.621 7.822 8.810 1.00 0.00 C ATOM 450 C THR A 559 -3.875 7.105 10.137 1.00 0.00 C ATOM 451 O THR A 559 -2.934 6.736 10.838 1.00 0.00 O ATOM 452 CB THR A 559 -4.134 7.049 7.593 1.00 0.00 C ATOM 453 OG1 THR A 559 -3.852 7.908 6.492 1.00 0.00 O ATOM 454 CG2 THR A 559 -5.658 6.916 7.583 1.00 0.00 C ATOM 0 H THR A 559 -1.762 7.484 7.906 1.00 0.00 H new ATOM 0 HA THR A 559 -4.173 8.760 8.873 1.00 0.00 H new ATOM 0 HB THR A 559 -3.684 6.056 7.578 1.00 0.00 H new ATOM 0 HG1 THR A 559 -4.151 7.483 5.661 1.00 0.00 H new ATOM 0 HG21 THR A 559 -5.969 6.360 6.699 1.00 0.00 H new ATOM 0 HG22 THR A 559 -5.983 6.386 8.478 1.00 0.00 H new ATOM 0 HG23 THR A 559 -6.110 7.908 7.565 1.00 0.00 H new ATOM 462 N ALA A 560 -5.152 6.928 10.442 1.00 0.00 N ATOM 463 CA ALA A 560 -5.542 6.261 11.673 1.00 0.00 C ATOM 464 C ALA A 560 -5.147 4.785 11.595 1.00 0.00 C ATOM 465 O ALA A 560 -5.761 4.012 10.861 1.00 0.00 O ATOM 466 CB ALA A 560 -7.042 6.451 11.905 1.00 0.00 C ATOM 0 H ALA A 560 -5.930 7.235 9.858 1.00 0.00 H new ATOM 0 HA ALA A 560 -5.023 6.697 12.526 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -7.334 5.950 12.828 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -7.266 7.515 11.982 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -7.596 6.023 11.070 1.00 0.00 H new ATOM 472 N ALA A 561 -4.124 4.437 12.363 1.00 0.00 N ATOM 473 CA ALA A 561 -3.640 3.067 12.390 1.00 0.00 C ATOM 474 C ALA A 561 -4.712 2.165 13.005 1.00 0.00 C ATOM 475 O ALA A 561 -5.291 2.498 14.037 1.00 0.00 O ATOM 476 CB ALA A 561 -2.318 3.008 13.157 1.00 0.00 C ATOM 0 H ALA A 561 -3.617 5.080 12.971 1.00 0.00 H new ATOM 0 HA ALA A 561 -3.447 2.708 11.379 1.00 0.00 H new ATOM 0 HB1 ALA A 561 -1.955 1.981 13.177 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -1.582 3.643 12.664 1.00 0.00 H new ATOM 0 HB3 ALA A 561 -2.473 3.358 14.177 1.00 0.00 H new ATOM 482 N PRO A 562 -4.948 1.010 12.327 1.00 0.00 N ATOM 483 CA PRO A 562 -4.218 0.692 11.111 1.00 0.00 C ATOM 484 C PRO A 562 -4.723 1.528 9.934 1.00 0.00 C ATOM 485 O PRO A 562 -5.908 1.851 9.860 1.00 0.00 O ATOM 486 CB PRO A 562 -4.420 -0.801 10.910 1.00 0.00 C ATOM 487 CG PRO A 562 -5.629 -1.175 11.751 1.00 0.00 C ATOM 488 CD PRO A 562 -5.914 -0.020 12.697 1.00 0.00 C ATOM 0 HA PRO A 562 -3.157 0.930 11.183 1.00 0.00 H new ATOM 0 HB2 PRO A 562 -4.588 -1.034 9.859 1.00 0.00 H new ATOM 0 HB3 PRO A 562 -3.538 -1.360 11.223 1.00 0.00 H new ATOM 0 HG2 PRO A 562 -6.492 -1.369 11.114 1.00 0.00 H new ATOM 0 HG3 PRO A 562 -5.436 -2.089 12.312 1.00 0.00 H new ATOM 0 HD2 PRO A 562 -6.937 0.339 12.586 1.00 0.00 H new ATOM 0 HD3 PRO A 562 -5.792 -0.321 13.737 1.00 0.00 H new ATOM 496 N GLY A 563 -3.800 1.854 9.041 1.00 0.00 N ATOM 497 CA GLY A 563 -4.137 2.646 7.871 1.00 0.00 C ATOM 498 C GLY A 563 -5.516 2.266 7.330 1.00 0.00 C ATOM 499 O GLY A 563 -6.536 2.737 7.833 1.00 0.00 O ATOM 0 H GLY A 563 -2.819 1.584 9.105 1.00 0.00 H new ATOM 0 HA2 GLY A 563 -4.123 3.705 8.128 1.00 0.00 H new ATOM 0 HA3 GLY A 563 -3.385 2.496 7.097 1.00 0.00 H new ATOM 503 N VAL A 564 -5.505 1.417 6.313 1.00 0.00 N ATOM 504 CA VAL A 564 -6.743 0.968 5.699 1.00 0.00 C ATOM 505 C VAL A 564 -6.662 -0.538 5.441 1.00 0.00 C ATOM 506 O VAL A 564 -5.571 -1.100 5.358 1.00 0.00 O ATOM 507 CB VAL A 564 -7.021 1.777 4.431 1.00 0.00 C ATOM 508 CG1 VAL A 564 -8.524 1.867 4.156 1.00 0.00 C ATOM 509 CG2 VAL A 564 -6.397 3.171 4.522 1.00 0.00 C ATOM 0 H VAL A 564 -4.658 1.028 5.899 1.00 0.00 H new ATOM 0 HA VAL A 564 -7.586 1.139 6.369 1.00 0.00 H new ATOM 0 HB VAL A 564 -6.557 1.256 3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 564 -8.694 2.447 3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 564 -8.931 0.864 4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 564 -9.019 2.354 4.996 1.00 0.00 H new ATOM 0 HG21 VAL A 564 -6.610 3.725 3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 564 -6.818 3.703 5.375 1.00 0.00 H new ATOM 0 HG23 VAL A 564 -5.318 3.079 4.648 1.00 0.00 H new ATOM 519 N LYS A 565 -7.832 -1.149 5.321 1.00 0.00 N ATOM 520 CA LYS A 565 -7.907 -2.579 5.074 1.00 0.00 C ATOM 521 C LYS A 565 -8.038 -2.826 3.570 1.00 0.00 C ATOM 522 O LYS A 565 -9.063 -2.505 2.971 1.00 0.00 O ATOM 523 CB LYS A 565 -9.031 -3.207 5.901 1.00 0.00 C ATOM 524 CG LYS A 565 -9.410 -4.585 5.355 1.00 0.00 C ATOM 525 CD LYS A 565 -9.445 -5.627 6.474 1.00 0.00 C ATOM 526 CE LYS A 565 -10.846 -6.225 6.622 1.00 0.00 C ATOM 527 NZ LYS A 565 -11.212 -6.995 5.413 1.00 0.00 N ATOM 0 H LYS A 565 -8.735 -0.680 5.390 1.00 0.00 H new ATOM 0 HA LYS A 565 -6.990 -3.071 5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -8.715 -3.298 6.940 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -9.904 -2.555 5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -10.385 -4.533 4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -8.692 -4.888 4.593 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -8.728 -6.420 6.260 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -9.141 -5.167 7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -10.880 -6.874 7.497 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -11.572 -5.429 6.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -11.957 -7.680 5.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -11.560 -6.345 4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -10.376 -7.502 5.058 1.00 0.00 H new ATOM 540 N MET A 566 -6.985 -3.396 3.003 1.00 0.00 N ATOM 541 CA MET A 566 -6.969 -3.690 1.580 1.00 0.00 C ATOM 542 C MET A 566 -8.356 -4.116 1.093 1.00 0.00 C ATOM 543 O MET A 566 -8.983 -4.993 1.684 1.00 0.00 O ATOM 544 CB MET A 566 -5.964 -4.810 1.301 1.00 0.00 C ATOM 545 CG MET A 566 -4.545 -4.252 1.172 1.00 0.00 C ATOM 546 SD MET A 566 -4.022 -4.304 -0.534 1.00 0.00 S ATOM 547 CE MET A 566 -2.878 -2.934 -0.549 1.00 0.00 C ATOM 0 H MET A 566 -6.137 -3.662 3.503 1.00 0.00 H new ATOM 0 HA MET A 566 -6.678 -2.786 1.045 1.00 0.00 H new ATOM 0 HB2 MET A 566 -5.999 -5.544 2.106 1.00 0.00 H new ATOM 0 HB3 MET A 566 -6.239 -5.330 0.384 1.00 0.00 H new ATOM 0 HG2 MET A 566 -4.514 -3.226 1.540 1.00 0.00 H new ATOM 0 HG3 MET A 566 -3.859 -4.833 1.789 1.00 0.00 H new ATOM 0 HE1 MET A 566 -2.810 -2.528 -1.558 1.00 0.00 H new ATOM 0 HE2 MET A 566 -3.230 -2.159 0.131 1.00 0.00 H new ATOM 0 HE3 MET A 566 -1.894 -3.278 -0.229 1.00 0.00 H new ATOM 557 N GLN A 567 -8.793 -3.475 0.019 1.00 0.00 N ATOM 558 CA GLN A 567 -10.094 -3.776 -0.554 1.00 0.00 C ATOM 559 C GLN A 567 -9.935 -4.645 -1.803 1.00 0.00 C ATOM 560 O GLN A 567 -9.219 -4.277 -2.733 1.00 0.00 O ATOM 561 CB GLN A 567 -10.863 -2.492 -0.874 1.00 0.00 C ATOM 562 CG GLN A 567 -12.262 -2.523 -0.256 1.00 0.00 C ATOM 563 CD GLN A 567 -13.318 -2.071 -1.267 1.00 0.00 C ATOM 564 OE1 GLN A 567 -14.100 -2.855 -1.778 1.00 0.00 O ATOM 565 NE2 GLN A 567 -13.296 -0.766 -1.525 1.00 0.00 N ATOM 0 H GLN A 567 -8.269 -2.749 -0.469 1.00 0.00 H new ATOM 0 HA GLN A 567 -10.673 -4.333 0.182 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -10.313 -1.630 -0.495 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -10.941 -2.370 -1.954 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -12.490 -3.532 0.087 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -12.291 -1.875 0.620 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -12.614 -0.166 -1.061 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -13.961 -0.366 -2.186 1.00 0.00 H new ATOM 574 N ASP A 568 -10.615 -5.782 -1.784 1.00 0.00 N ATOM 575 CA ASP A 568 -10.558 -6.707 -2.903 1.00 0.00 C ATOM 576 C ASP A 568 -10.599 -5.918 -4.214 1.00 0.00 C ATOM 577 O ASP A 568 -11.191 -4.841 -4.275 1.00 0.00 O ATOM 578 CB ASP A 568 -11.752 -7.663 -2.889 1.00 0.00 C ATOM 579 CG ASP A 568 -11.393 -9.148 -2.969 1.00 0.00 C ATOM 580 OD1 ASP A 568 -10.557 -9.645 -2.199 1.00 0.00 O ATOM 581 OD2 ASP A 568 -12.018 -9.812 -3.881 1.00 0.00 O ATOM 0 H ASP A 568 -11.208 -6.084 -1.011 1.00 0.00 H new ATOM 0 HA ASP A 568 -9.635 -7.281 -2.819 1.00 0.00 H new ATOM 0 HB2 ASP A 568 -12.325 -7.492 -1.977 1.00 0.00 H new ATOM 0 HB3 ASP A 568 -12.405 -7.417 -3.726 1.00 0.00 H new ATOM 587 N ALA A 569 -9.963 -6.484 -5.229 1.00 0.00 N ATOM 588 CA ALA A 569 -9.920 -5.847 -6.534 1.00 0.00 C ATOM 589 C ALA A 569 -11.141 -6.280 -7.349 1.00 0.00 C ATOM 590 O ALA A 569 -12.244 -6.381 -6.815 1.00 0.00 O ATOM 591 CB ALA A 569 -8.602 -6.194 -7.229 1.00 0.00 C ATOM 0 H ALA A 569 -9.473 -7.377 -5.174 1.00 0.00 H new ATOM 0 HA ALA A 569 -9.959 -4.762 -6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -8.570 -5.716 -8.208 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -7.767 -5.839 -6.624 1.00 0.00 H new ATOM 0 HB3 ALA A 569 -8.528 -7.275 -7.350 1.00 0.00 H new ATOM 597 N GLU A 570 -10.901 -6.526 -8.628 1.00 0.00 N ATOM 598 CA GLU A 570 -11.967 -6.946 -9.522 1.00 0.00 C ATOM 599 C GLU A 570 -11.527 -8.165 -10.336 1.00 0.00 C ATOM 600 O GLU A 570 -12.246 -8.611 -11.229 1.00 0.00 O ATOM 601 CB GLU A 570 -12.397 -5.800 -10.440 1.00 0.00 C ATOM 602 CG GLU A 570 -11.234 -5.334 -11.317 1.00 0.00 C ATOM 603 CD GLU A 570 -11.231 -3.810 -11.461 1.00 0.00 C ATOM 604 OE1 GLU A 570 -10.319 -3.141 -10.953 1.00 0.00 O ATOM 605 OE2 GLU A 570 -12.222 -3.324 -12.129 1.00 0.00 O ATOM 0 H GLU A 570 -9.984 -6.443 -9.067 1.00 0.00 H new ATOM 0 HA GLU A 570 -12.830 -7.228 -8.919 1.00 0.00 H new ATOM 0 HB2 GLU A 570 -13.225 -6.125 -11.070 1.00 0.00 H new ATOM 0 HB3 GLU A 570 -12.762 -4.966 -9.840 1.00 0.00 H new ATOM 0 HG2 GLU A 570 -10.291 -5.663 -10.881 1.00 0.00 H new ATOM 0 HG3 GLU A 570 -11.309 -5.796 -12.302 1.00 0.00 H new ATOM 613 N ILE A 571 -10.349 -8.668 -9.999 1.00 0.00 N ATOM 614 CA ILE A 571 -9.805 -9.826 -10.688 1.00 0.00 C ATOM 615 C ILE A 571 -10.431 -11.097 -10.112 1.00 0.00 C ATOM 616 O ILE A 571 -11.439 -11.584 -10.623 1.00 0.00 O ATOM 617 CB ILE A 571 -8.276 -9.814 -10.631 1.00 0.00 C ATOM 618 CG1 ILE A 571 -7.709 -8.610 -11.386 1.00 0.00 C ATOM 619 CG2 ILE A 571 -7.698 -11.135 -11.142 1.00 0.00 C ATOM 620 CD1 ILE A 571 -6.185 -8.695 -11.489 1.00 0.00 C ATOM 0 H ILE A 571 -9.756 -8.295 -9.258 1.00 0.00 H new ATOM 0 HA ILE A 571 -10.062 -9.795 -11.747 1.00 0.00 H new ATOM 0 HB ILE A 571 -7.974 -9.712 -9.589 1.00 0.00 H new ATOM 0 HG12 ILE A 571 -8.143 -8.566 -12.385 1.00 0.00 H new ATOM 0 HG13 ILE A 571 -7.992 -7.690 -10.875 1.00 0.00 H new ATOM 0 HG21 ILE A 571 -6.610 -11.100 -11.091 1.00 0.00 H new ATOM 0 HG22 ILE A 571 -8.064 -11.955 -10.525 1.00 0.00 H new ATOM 0 HG23 ILE A 571 -8.008 -11.292 -12.175 1.00 0.00 H new ATOM 0 HD11 ILE A 571 -5.808 -7.827 -12.030 1.00 0.00 H new ATOM 0 HD12 ILE A 571 -5.753 -8.715 -10.488 1.00 0.00 H new ATOM 0 HD13 ILE A 571 -5.906 -9.604 -12.022 1.00 0.00 H new ATOM 632 N SER A 572 -9.809 -11.599 -9.055 1.00 0.00 N ATOM 633 CA SER A 572 -10.293 -12.805 -8.404 1.00 0.00 C ATOM 634 C SER A 572 -9.283 -13.274 -7.355 1.00 0.00 C ATOM 635 O SER A 572 -8.333 -13.987 -7.678 1.00 0.00 O ATOM 636 CB SER A 572 -10.554 -13.915 -9.424 1.00 0.00 C ATOM 637 OG SER A 572 -11.928 -14.291 -9.463 1.00 0.00 O ATOM 0 H SER A 572 -8.974 -11.193 -8.633 1.00 0.00 H new ATOM 0 HA SER A 572 -11.237 -12.573 -7.912 1.00 0.00 H new ATOM 0 HB2 SER A 572 -10.242 -13.580 -10.413 1.00 0.00 H new ATOM 0 HB3 SER A 572 -9.947 -14.786 -9.176 1.00 0.00 H new ATOM 0 HG SER A 572 -12.457 -13.558 -9.841 1.00 0.00 H new ATOM 643 N GLY A 573 -9.522 -12.856 -6.121 1.00 0.00 N ATOM 644 CA GLY A 573 -8.645 -13.226 -5.023 1.00 0.00 C ATOM 645 C GLY A 573 -7.540 -12.185 -4.830 1.00 0.00 C ATOM 646 O GLY A 573 -6.612 -12.397 -4.051 1.00 0.00 O ATOM 0 H GLY A 573 -10.310 -12.265 -5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 573 -9.225 -13.320 -4.105 1.00 0.00 H new ATOM 0 HA3 GLY A 573 -8.200 -14.201 -5.221 1.00 0.00 H new ATOM 650 N TYR A 574 -7.675 -11.084 -5.553 1.00 0.00 N ATOM 651 CA TYR A 574 -6.700 -10.010 -5.472 1.00 0.00 C ATOM 652 C TYR A 574 -7.235 -8.845 -4.637 1.00 0.00 C ATOM 653 O TYR A 574 -8.445 -8.710 -4.456 1.00 0.00 O ATOM 654 CB TYR A 574 -6.477 -9.532 -6.908 1.00 0.00 C ATOM 655 CG TYR A 574 -5.313 -10.223 -7.620 1.00 0.00 C ATOM 656 CD1 TYR A 574 -5.444 -11.527 -8.054 1.00 0.00 C ATOM 657 CD2 TYR A 574 -4.130 -9.543 -7.829 1.00 0.00 C ATOM 658 CE1 TYR A 574 -4.348 -12.177 -8.724 1.00 0.00 C ATOM 659 CE2 TYR A 574 -3.034 -10.193 -8.499 1.00 0.00 C ATOM 660 CZ TYR A 574 -3.197 -11.478 -8.914 1.00 0.00 C ATOM 661 OH TYR A 574 -2.162 -12.092 -9.547 1.00 0.00 O ATOM 0 H TYR A 574 -8.446 -10.912 -6.199 1.00 0.00 H new ATOM 0 HA TYR A 574 -5.782 -10.361 -5.001 1.00 0.00 H new ATOM 0 HB2 TYR A 574 -7.389 -9.697 -7.481 1.00 0.00 H new ATOM 0 HB3 TYR A 574 -6.297 -8.457 -6.898 1.00 0.00 H new ATOM 0 HD1 TYR A 574 -6.369 -12.060 -7.891 1.00 0.00 H new ATOM 0 HD2 TYR A 574 -4.027 -8.523 -7.490 1.00 0.00 H new ATOM 0 HE1 TYR A 574 -4.438 -13.197 -9.068 1.00 0.00 H new ATOM 0 HE2 TYR A 574 -2.103 -9.672 -8.668 1.00 0.00 H new ATOM 0 HH TYR A 574 -1.406 -11.473 -9.614 1.00 0.00 H new ATOM 671 N ALA A 575 -6.309 -8.032 -4.151 1.00 0.00 N ATOM 672 CA ALA A 575 -6.672 -6.882 -3.340 1.00 0.00 C ATOM 673 C ALA A 575 -6.259 -5.600 -4.066 1.00 0.00 C ATOM 674 O ALA A 575 -5.343 -5.615 -4.887 1.00 0.00 O ATOM 675 CB ALA A 575 -6.024 -7.006 -1.960 1.00 0.00 C ATOM 0 H ALA A 575 -5.307 -8.147 -4.303 1.00 0.00 H new ATOM 0 HA ALA A 575 -7.751 -6.843 -3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 575 -6.296 -6.144 -1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 575 -6.373 -7.917 -1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 575 -4.940 -7.046 -2.069 1.00 0.00 H new ATOM 681 N LYS A 576 -6.954 -4.521 -3.736 1.00 0.00 N ATOM 682 CA LYS A 576 -6.670 -3.233 -4.346 1.00 0.00 C ATOM 683 C LYS A 576 -7.095 -2.117 -3.389 1.00 0.00 C ATOM 684 O LYS A 576 -8.184 -2.163 -2.819 1.00 0.00 O ATOM 685 CB LYS A 576 -7.321 -3.140 -5.727 1.00 0.00 C ATOM 686 CG LYS A 576 -8.748 -2.598 -5.626 1.00 0.00 C ATOM 687 CD LYS A 576 -9.370 -2.428 -7.014 1.00 0.00 C ATOM 688 CE LYS A 576 -9.245 -0.982 -7.498 1.00 0.00 C ATOM 689 NZ LYS A 576 -10.035 -0.779 -8.733 1.00 0.00 N ATOM 0 H LYS A 576 -7.713 -4.512 -3.054 1.00 0.00 H new ATOM 0 HA LYS A 576 -5.599 -3.118 -4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 576 -6.727 -2.491 -6.370 1.00 0.00 H new ATOM 0 HB3 LYS A 576 -7.335 -4.125 -6.193 1.00 0.00 H new ATOM 0 HG2 LYS A 576 -9.358 -3.278 -5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 576 -8.741 -1.640 -5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 576 -8.878 -3.096 -7.721 1.00 0.00 H new ATOM 0 HD3 LYS A 576 -10.421 -2.715 -6.983 1.00 0.00 H new ATOM 0 HE2 LYS A 576 -9.592 -0.301 -6.721 1.00 0.00 H new ATOM 0 HE3 LYS A 576 -8.198 -0.744 -7.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 576 -9.646 0.025 -9.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 576 -9.989 -1.637 -9.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 576 -11.025 -0.583 -8.483 1.00 0.00 H new ATOM 702 N ILE A 577 -6.212 -1.139 -3.243 1.00 0.00 N ATOM 703 CA ILE A 577 -6.482 -0.013 -2.366 1.00 0.00 C ATOM 704 C ILE A 577 -5.893 1.259 -2.980 1.00 0.00 C ATOM 705 O ILE A 577 -4.864 1.208 -3.653 1.00 0.00 O ATOM 706 CB ILE A 577 -5.977 -0.303 -0.951 1.00 0.00 C ATOM 707 CG1 ILE A 577 -4.840 0.647 -0.569 1.00 0.00 C ATOM 708 CG2 ILE A 577 -5.572 -1.771 -0.804 1.00 0.00 C ATOM 709 CD1 ILE A 577 -3.652 0.490 -1.520 1.00 0.00 C ATOM 0 H ILE A 577 -5.310 -1.104 -3.717 1.00 0.00 H new ATOM 0 HA ILE A 577 -7.556 0.146 -2.270 1.00 0.00 H new ATOM 0 HB ILE A 577 -6.794 -0.123 -0.253 1.00 0.00 H new ATOM 0 HG12 ILE A 577 -5.197 1.676 -0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 577 -4.521 0.446 0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 577 -5.217 -1.951 0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 577 -6.433 -2.408 -1.005 1.00 0.00 H new ATOM 0 HG23 ILE A 577 -4.777 -2.002 -1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 577 -2.858 1.176 -1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 577 -3.282 -0.534 -1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 577 -3.969 0.716 -2.538 1.00 0.00 H new ATOM 721 N THR A 578 -6.571 2.369 -2.727 1.00 0.00 N ATOM 722 CA THR A 578 -6.127 3.651 -3.247 1.00 0.00 C ATOM 723 C THR A 578 -5.815 4.612 -2.098 1.00 0.00 C ATOM 724 O THR A 578 -6.543 4.660 -1.108 1.00 0.00 O ATOM 725 CB THR A 578 -7.204 4.173 -4.200 1.00 0.00 C ATOM 726 OG1 THR A 578 -7.267 3.186 -5.226 1.00 0.00 O ATOM 727 CG2 THR A 578 -6.772 5.445 -4.931 1.00 0.00 C ATOM 0 H THR A 578 -7.424 2.407 -2.169 1.00 0.00 H new ATOM 0 HA THR A 578 -5.198 3.551 -3.808 1.00 0.00 H new ATOM 0 HB THR A 578 -8.119 4.369 -3.641 1.00 0.00 H new ATOM 0 HG1 THR A 578 -7.943 3.444 -5.887 1.00 0.00 H new ATOM 0 HG21 THR A 578 -7.572 5.773 -5.594 1.00 0.00 H new ATOM 0 HG22 THR A 578 -6.560 6.228 -4.203 1.00 0.00 H new ATOM 0 HG23 THR A 578 -5.876 5.241 -5.517 1.00 0.00 H new ATOM 735 N VAL A 579 -4.730 5.355 -2.269 1.00 0.00 N ATOM 736 CA VAL A 579 -4.312 6.312 -1.259 1.00 0.00 C ATOM 737 C VAL A 579 -4.007 7.653 -1.929 1.00 0.00 C ATOM 738 O VAL A 579 -3.348 7.697 -2.967 1.00 0.00 O ATOM 739 CB VAL A 579 -3.126 5.755 -0.469 1.00 0.00 C ATOM 740 CG1 VAL A 579 -2.651 6.757 0.585 1.00 0.00 C ATOM 741 CG2 VAL A 579 -3.478 4.411 0.172 1.00 0.00 C ATOM 0 H VAL A 579 -4.129 5.313 -3.092 1.00 0.00 H new ATOM 0 HA VAL A 579 -5.113 6.482 -0.540 1.00 0.00 H new ATOM 0 HB VAL A 579 -2.306 5.589 -1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 579 -1.807 6.337 1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 579 -2.342 7.681 0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 579 -3.465 6.968 1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 579 -2.618 4.037 0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 579 -4.320 4.541 0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 579 -3.747 3.696 -0.606 1.00 0.00 H new ATOM 751 N ASP A 580 -4.500 8.715 -1.309 1.00 0.00 N ATOM 752 CA ASP A 580 -4.288 10.053 -1.832 1.00 0.00 C ATOM 753 C ASP A 580 -3.033 10.652 -1.196 1.00 0.00 C ATOM 754 O ASP A 580 -2.709 10.350 -0.048 1.00 0.00 O ATOM 755 CB ASP A 580 -5.469 10.968 -1.500 1.00 0.00 C ATOM 756 CG ASP A 580 -5.277 12.437 -1.883 1.00 0.00 C ATOM 757 OD1 ASP A 580 -5.769 12.894 -2.925 1.00 0.00 O ATOM 758 OD2 ASP A 580 -4.580 13.131 -1.049 1.00 0.00 O ATOM 0 H ASP A 580 -5.046 8.675 -0.448 1.00 0.00 H new ATOM 0 HA ASP A 580 -4.182 9.979 -2.914 1.00 0.00 H new ATOM 0 HB2 ASP A 580 -6.356 10.589 -2.007 1.00 0.00 H new ATOM 0 HB3 ASP A 580 -5.664 10.910 -0.429 1.00 0.00 H new ATOM 764 N ILE A 581 -2.359 11.491 -1.969 1.00 0.00 N ATOM 765 CA ILE A 581 -1.146 12.135 -1.495 1.00 0.00 C ATOM 766 C ILE A 581 -1.397 13.637 -1.341 1.00 0.00 C ATOM 767 O ILE A 581 -0.684 14.317 -0.605 1.00 0.00 O ATOM 768 CB ILE A 581 0.032 11.800 -2.412 1.00 0.00 C ATOM 769 CG1 ILE A 581 -0.436 11.601 -3.855 1.00 0.00 C ATOM 770 CG2 ILE A 581 0.808 10.590 -1.889 1.00 0.00 C ATOM 771 CD1 ILE A 581 0.735 11.222 -4.764 1.00 0.00 C ATOM 0 H ILE A 581 -2.630 11.740 -2.920 1.00 0.00 H new ATOM 0 HA ILE A 581 -0.873 11.754 -0.511 1.00 0.00 H new ATOM 0 HB ILE A 581 0.718 12.647 -2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 581 -1.196 10.820 -3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 581 -0.902 12.516 -4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 581 1.640 10.374 -2.559 1.00 0.00 H new ATOM 0 HG22 ILE A 581 1.192 10.807 -0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 581 0.146 9.726 -1.842 1.00 0.00 H new ATOM 0 HD11 ILE A 581 0.375 11.086 -5.784 1.00 0.00 H new ATOM 0 HD12 ILE A 581 1.482 12.016 -4.745 1.00 0.00 H new ATOM 0 HD13 ILE A 581 1.184 10.293 -4.411 1.00 0.00 H new ATOM 783 N GLY A 582 -2.414 14.109 -2.046 1.00 0.00 N ATOM 784 CA GLY A 582 -2.769 15.518 -1.997 1.00 0.00 C ATOM 785 C GLY A 582 -1.518 16.397 -1.946 1.00 0.00 C ATOM 786 O GLY A 582 -1.036 16.735 -0.866 1.00 0.00 O ATOM 0 H GLY A 582 -3.004 13.541 -2.654 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -3.365 15.777 -2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -3.389 15.710 -1.121 1.00 0.00 H new ATOM 790 N SER A 583 -1.027 16.742 -3.127 1.00 0.00 N ATOM 791 CA SER A 583 0.159 17.575 -3.231 1.00 0.00 C ATOM 792 C SER A 583 1.392 16.789 -2.781 1.00 0.00 C ATOM 793 O SER A 583 2.071 17.181 -1.833 1.00 0.00 O ATOM 794 CB SER A 583 0.010 18.851 -2.399 1.00 0.00 C ATOM 795 OG SER A 583 -0.197 20.000 -3.216 1.00 0.00 O ATOM 0 H SER A 583 -1.429 16.460 -4.021 1.00 0.00 H new ATOM 0 HA SER A 583 0.282 17.866 -4.274 1.00 0.00 H new ATOM 0 HB2 SER A 583 -0.828 18.739 -1.711 1.00 0.00 H new ATOM 0 HB3 SER A 583 0.904 18.994 -1.792 1.00 0.00 H new ATOM 0 HG SER A 583 -0.289 20.793 -2.648 1.00 0.00 H new ATOM 801 N ALA A 584 1.643 15.693 -3.482 1.00 0.00 N ATOM 802 CA ALA A 584 2.783 14.848 -3.167 1.00 0.00 C ATOM 803 C ALA A 584 3.055 13.907 -4.342 1.00 0.00 C ATOM 804 O ALA A 584 2.126 13.470 -5.020 1.00 0.00 O ATOM 805 CB ALA A 584 2.513 14.092 -1.864 1.00 0.00 C ATOM 0 H ALA A 584 1.077 15.371 -4.267 1.00 0.00 H new ATOM 0 HA ALA A 584 3.678 15.451 -3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 584 3.368 13.458 -1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 584 2.355 14.806 -1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 584 1.623 13.473 -1.980 1.00 0.00 H new ATOM 811 N SER A 585 4.333 13.623 -4.547 1.00 0.00 N ATOM 812 CA SER A 585 4.739 12.742 -5.629 1.00 0.00 C ATOM 813 C SER A 585 5.348 11.460 -5.058 1.00 0.00 C ATOM 814 O SER A 585 5.864 10.628 -5.803 1.00 0.00 O ATOM 815 CB SER A 585 5.736 13.435 -6.559 1.00 0.00 C ATOM 816 OG SER A 585 5.267 13.483 -7.904 1.00 0.00 O ATOM 0 H SER A 585 5.100 13.987 -3.982 1.00 0.00 H new ATOM 0 HA SER A 585 3.855 12.488 -6.214 1.00 0.00 H new ATOM 0 HB2 SER A 585 5.920 14.449 -6.203 1.00 0.00 H new ATOM 0 HB3 SER A 585 6.689 12.908 -6.526 1.00 0.00 H new ATOM 0 HG SER A 585 5.931 13.934 -8.466 1.00 0.00 H new ATOM 822 N GLN A 586 5.269 11.340 -3.741 1.00 0.00 N ATOM 823 CA GLN A 586 5.806 10.173 -3.062 1.00 0.00 C ATOM 824 C GLN A 586 5.028 9.904 -1.772 1.00 0.00 C ATOM 825 O GLN A 586 4.685 10.834 -1.044 1.00 0.00 O ATOM 826 CB GLN A 586 7.299 10.345 -2.775 1.00 0.00 C ATOM 827 CG GLN A 586 8.145 9.581 -3.797 1.00 0.00 C ATOM 828 CD GLN A 586 9.571 10.133 -3.850 1.00 0.00 C ATOM 829 OE1 GLN A 586 9.807 11.326 -3.748 1.00 0.00 O ATOM 830 NE2 GLN A 586 10.506 9.202 -4.015 1.00 0.00 N ATOM 0 H GLN A 586 4.841 12.032 -3.126 1.00 0.00 H new ATOM 0 HA GLN A 586 5.692 9.311 -3.719 1.00 0.00 H new ATOM 0 HB2 GLN A 586 7.559 11.403 -2.801 1.00 0.00 H new ATOM 0 HB3 GLN A 586 7.524 9.986 -1.771 1.00 0.00 H new ATOM 0 HG2 GLN A 586 8.170 8.523 -3.536 1.00 0.00 H new ATOM 0 HG3 GLN A 586 7.686 9.655 -4.783 1.00 0.00 H new ATOM 0 HE21 GLN A 586 10.240 8.220 -4.093 1.00 0.00 H new ATOM 0 HE22 GLN A 586 11.489 9.469 -4.063 1.00 0.00 H new ATOM 839 N LEU A 587 4.771 8.627 -1.529 1.00 0.00 N ATOM 840 CA LEU A 587 4.040 8.224 -0.340 1.00 0.00 C ATOM 841 C LEU A 587 4.555 6.864 0.134 1.00 0.00 C ATOM 842 O LEU A 587 4.795 5.970 -0.677 1.00 0.00 O ATOM 843 CB LEU A 587 2.533 8.253 -0.602 1.00 0.00 C ATOM 844 CG LEU A 587 1.691 7.269 0.212 1.00 0.00 C ATOM 845 CD1 LEU A 587 0.522 7.983 0.895 1.00 0.00 C ATOM 846 CD2 LEU A 587 1.221 6.100 -0.655 1.00 0.00 C ATOM 0 H LEU A 587 5.056 7.858 -2.135 1.00 0.00 H new ATOM 0 HA LEU A 587 4.213 8.931 0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 587 2.169 9.261 -0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 587 2.365 8.055 -1.661 1.00 0.00 H new ATOM 0 HG LEU A 587 2.319 6.852 0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -0.061 7.261 1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 587 0.907 8.752 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 587 -0.113 8.445 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 587 0.625 5.416 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 587 0.616 6.478 -1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 587 2.087 5.571 -1.054 1.00 0.00 H new ATOM 858 N GLU A 588 4.711 6.749 1.445 1.00 0.00 N ATOM 859 CA GLU A 588 5.193 5.513 2.036 1.00 0.00 C ATOM 860 C GLU A 588 4.016 4.625 2.446 1.00 0.00 C ATOM 861 O GLU A 588 2.984 5.124 2.892 1.00 0.00 O ATOM 862 CB GLU A 588 6.107 5.796 3.230 1.00 0.00 C ATOM 863 CG GLU A 588 5.533 6.910 4.108 1.00 0.00 C ATOM 864 CD GLU A 588 6.153 8.263 3.752 1.00 0.00 C ATOM 865 OE1 GLU A 588 5.935 8.772 2.643 1.00 0.00 O ATOM 866 OE2 GLU A 588 6.884 8.787 4.676 1.00 0.00 O ATOM 0 H GLU A 588 4.512 7.492 2.114 1.00 0.00 H new ATOM 0 HA GLU A 588 5.781 4.981 1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 588 6.230 4.889 3.822 1.00 0.00 H new ATOM 0 HB3 GLU A 588 7.097 6.082 2.875 1.00 0.00 H new ATOM 0 HG2 GLU A 588 4.451 6.957 3.981 1.00 0.00 H new ATOM 0 HG3 GLU A 588 5.722 6.684 5.158 1.00 0.00 H new ATOM 874 N ALA A 589 4.210 3.325 2.279 1.00 0.00 N ATOM 875 CA ALA A 589 3.177 2.364 2.626 1.00 0.00 C ATOM 876 C ALA A 589 3.820 1.156 3.311 1.00 0.00 C ATOM 877 O ALA A 589 4.948 0.785 2.992 1.00 0.00 O ATOM 878 CB ALA A 589 2.398 1.975 1.368 1.00 0.00 C ATOM 0 H ALA A 589 5.067 2.915 1.908 1.00 0.00 H new ATOM 0 HA ALA A 589 2.466 2.801 3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 589 1.623 1.254 1.628 1.00 0.00 H new ATOM 0 HB2 ALA A 589 1.937 2.863 0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 589 3.078 1.530 0.642 1.00 0.00 H new ATOM 884 N ALA A 590 3.074 0.577 4.240 1.00 0.00 N ATOM 885 CA ALA A 590 3.557 -0.581 4.973 1.00 0.00 C ATOM 886 C ALA A 590 2.462 -1.649 5.010 1.00 0.00 C ATOM 887 O ALA A 590 1.294 -1.354 4.760 1.00 0.00 O ATOM 888 CB ALA A 590 4.000 -0.152 6.373 1.00 0.00 C ATOM 0 H ALA A 590 2.139 0.888 4.502 1.00 0.00 H new ATOM 0 HA ALA A 590 4.424 -1.015 4.476 1.00 0.00 H new ATOM 0 HB1 ALA A 590 4.362 -1.021 6.922 1.00 0.00 H new ATOM 0 HB2 ALA A 590 4.799 0.585 6.292 1.00 0.00 H new ATOM 0 HB3 ALA A 590 3.155 0.286 6.904 1.00 0.00 H new ATOM 894 N PHE A 591 2.878 -2.867 5.324 1.00 0.00 N ATOM 895 CA PHE A 591 1.947 -3.980 5.397 1.00 0.00 C ATOM 896 C PHE A 591 2.008 -4.658 6.767 1.00 0.00 C ATOM 897 O PHE A 591 3.090 -4.855 7.318 1.00 0.00 O ATOM 898 CB PHE A 591 2.368 -4.987 4.324 1.00 0.00 C ATOM 899 CG PHE A 591 1.454 -5.009 3.098 1.00 0.00 C ATOM 900 CD1 PHE A 591 1.344 -3.904 2.312 1.00 0.00 C ATOM 901 CD2 PHE A 591 0.751 -6.133 2.793 1.00 0.00 C ATOM 902 CE1 PHE A 591 0.495 -3.924 1.173 1.00 0.00 C ATOM 903 CE2 PHE A 591 -0.098 -6.153 1.655 1.00 0.00 C ATOM 904 CZ PHE A 591 -0.208 -5.048 0.869 1.00 0.00 C ATOM 0 H PHE A 591 3.847 -3.108 5.531 1.00 0.00 H new ATOM 0 HA PHE A 591 0.929 -3.623 5.243 1.00 0.00 H new ATOM 0 HB2 PHE A 591 3.384 -4.757 4.003 1.00 0.00 H new ATOM 0 HB3 PHE A 591 2.391 -5.984 4.765 1.00 0.00 H new ATOM 0 HD1 PHE A 591 1.902 -3.012 2.554 1.00 0.00 H new ATOM 0 HD2 PHE A 591 0.839 -7.010 3.417 1.00 0.00 H new ATOM 0 HE1 PHE A 591 0.408 -3.047 0.549 1.00 0.00 H new ATOM 0 HE2 PHE A 591 -0.656 -7.045 1.413 1.00 0.00 H new ATOM 0 HZ PHE A 591 -0.854 -5.063 0.003 1.00 0.00 H new ATOM 914 N ASN A 592 0.833 -4.995 7.278 1.00 0.00 N ATOM 915 CA ASN A 592 0.740 -5.646 8.574 1.00 0.00 C ATOM 916 C ASN A 592 -0.496 -6.547 8.599 1.00 0.00 C ATOM 917 O ASN A 592 -1.446 -6.324 7.850 1.00 0.00 O ATOM 918 CB ASN A 592 0.599 -4.618 9.698 1.00 0.00 C ATOM 919 CG ASN A 592 1.291 -3.304 9.330 1.00 0.00 C ATOM 920 OD1 ASN A 592 2.464 -3.263 8.997 1.00 0.00 O ATOM 921 ND2 ASN A 592 0.503 -2.236 9.409 1.00 0.00 N ATOM 0 H ASN A 592 -0.062 -4.830 6.818 1.00 0.00 H new ATOM 0 HA ASN A 592 1.651 -6.225 8.727 1.00 0.00 H new ATOM 0 HB2 ASN A 592 -0.457 -4.434 9.897 1.00 0.00 H new ATOM 0 HB3 ASN A 592 1.031 -5.016 10.616 1.00 0.00 H new ATOM 0 HD21 ASN A 592 0.872 -1.312 9.184 1.00 0.00 H new ATOM 0 HD22 ASN A 592 -0.471 -2.341 9.695 1.00 0.00 H new ATOM 928 N ASP A 593 -0.444 -7.546 9.468 1.00 0.00 N ATOM 929 CA ASP A 593 -1.547 -8.481 9.601 1.00 0.00 C ATOM 930 C ASP A 593 -2.614 -7.878 10.517 1.00 0.00 C ATOM 931 O ASP A 593 -3.800 -8.174 10.374 1.00 0.00 O ATOM 932 CB ASP A 593 -1.081 -9.799 10.222 1.00 0.00 C ATOM 933 CG ASP A 593 -0.371 -9.663 11.571 1.00 0.00 C ATOM 934 OD1 ASP A 593 0.075 -8.570 11.950 1.00 0.00 O ATOM 935 OD2 ASP A 593 -0.284 -10.754 12.253 1.00 0.00 O ATOM 0 H ASP A 593 0.346 -7.728 10.087 1.00 0.00 H new ATOM 0 HA ASP A 593 -1.947 -8.673 8.605 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -1.946 -10.450 10.348 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -0.408 -10.295 9.523 1.00 0.00 H new ATOM 941 N GLY A 594 -2.155 -7.044 11.438 1.00 0.00 N ATOM 942 CA GLY A 594 -3.055 -6.397 12.378 1.00 0.00 C ATOM 943 C GLY A 594 -2.315 -5.351 13.214 1.00 0.00 C ATOM 944 O GLY A 594 -2.744 -4.201 13.298 1.00 0.00 O ATOM 0 H GLY A 594 -1.171 -6.801 11.554 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -3.873 -5.922 11.836 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -3.499 -7.145 13.035 1.00 0.00 H new ATOM 948 N ASN A 595 -1.216 -5.787 13.812 1.00 0.00 N ATOM 949 CA ASN A 595 -0.412 -4.903 14.638 1.00 0.00 C ATOM 950 C ASN A 595 0.619 -5.729 15.409 1.00 0.00 C ATOM 951 O ASN A 595 0.523 -5.869 16.628 1.00 0.00 O ATOM 952 CB ASN A 595 -1.280 -4.161 15.657 1.00 0.00 C ATOM 953 CG ASN A 595 -0.416 -3.458 16.705 1.00 0.00 C ATOM 954 OD1 ASN A 595 0.773 -3.248 16.528 1.00 0.00 O ATOM 955 ND2 ASN A 595 -1.077 -3.106 17.804 1.00 0.00 N ATOM 0 H ASN A 595 -0.863 -6.741 13.741 1.00 0.00 H new ATOM 0 HA ASN A 595 0.074 -4.180 13.983 1.00 0.00 H new ATOM 0 HB2 ASN A 595 -1.903 -3.429 15.144 1.00 0.00 H new ATOM 0 HB3 ASN A 595 -1.953 -4.864 16.148 1.00 0.00 H new ATOM 0 HD21 ASN A 595 -0.588 -2.630 18.563 1.00 0.00 H new ATOM 0 HD22 ASN A 595 -2.072 -3.312 17.888 1.00 0.00 H new ATOM 962 N ASN A 596 1.582 -6.256 14.667 1.00 0.00 N ATOM 963 CA ASN A 596 2.631 -7.065 15.266 1.00 0.00 C ATOM 964 C ASN A 596 3.546 -7.603 14.164 1.00 0.00 C ATOM 965 O ASN A 596 4.768 -7.579 14.300 1.00 0.00 O ATOM 966 CB ASN A 596 2.042 -8.260 16.017 1.00 0.00 C ATOM 967 CG ASN A 596 2.454 -8.239 17.491 1.00 0.00 C ATOM 968 OD1 ASN A 596 2.460 -7.209 18.145 1.00 0.00 O ATOM 969 ND2 ASN A 596 2.797 -9.429 17.974 1.00 0.00 N ATOM 0 H ASN A 596 1.658 -6.139 13.657 1.00 0.00 H new ATOM 0 HA ASN A 596 3.185 -6.437 15.964 1.00 0.00 H new ATOM 0 HB2 ASN A 596 0.955 -8.243 15.939 1.00 0.00 H new ATOM 0 HB3 ASN A 596 2.380 -9.187 15.554 1.00 0.00 H new ATOM 0 HD21 ASN A 596 3.088 -9.520 18.947 1.00 0.00 H new ATOM 0 HD22 ASN A 596 2.769 -10.251 17.371 1.00 0.00 H new ATOM 976 N ASN A 597 2.919 -8.075 13.096 1.00 0.00 N ATOM 977 CA ASN A 597 3.661 -8.618 11.972 1.00 0.00 C ATOM 978 C ASN A 597 3.743 -7.565 10.864 1.00 0.00 C ATOM 979 O ASN A 597 2.941 -7.577 9.932 1.00 0.00 O ATOM 980 CB ASN A 597 2.966 -9.854 11.398 1.00 0.00 C ATOM 981 CG ASN A 597 3.814 -11.109 11.614 1.00 0.00 C ATOM 982 OD1 ASN A 597 4.970 -11.183 11.230 1.00 0.00 O ATOM 983 ND2 ASN A 597 3.178 -12.090 12.248 1.00 0.00 N ATOM 0 H ASN A 597 1.905 -8.092 12.986 1.00 0.00 H new ATOM 0 HA ASN A 597 4.654 -8.895 12.326 1.00 0.00 H new ATOM 0 HB2 ASN A 597 1.993 -9.982 11.873 1.00 0.00 H new ATOM 0 HB3 ASN A 597 2.785 -9.712 10.333 1.00 0.00 H new ATOM 0 HD21 ASN A 597 3.658 -12.969 12.439 1.00 0.00 H new ATOM 0 HD22 ASN A 597 2.210 -11.963 12.543 1.00 0.00 H new ATOM 990 N TRP A 598 4.720 -6.680 11.004 1.00 0.00 N ATOM 991 CA TRP A 598 4.917 -5.623 10.027 1.00 0.00 C ATOM 992 C TRP A 598 5.944 -6.110 9.004 1.00 0.00 C ATOM 993 O TRP A 598 7.031 -6.553 9.372 1.00 0.00 O ATOM 994 CB TRP A 598 5.325 -4.316 10.709 1.00 0.00 C ATOM 995 CG TRP A 598 4.203 -3.656 11.513 1.00 0.00 C ATOM 996 CD1 TRP A 598 3.594 -4.119 12.613 1.00 0.00 C ATOM 997 CD2 TRP A 598 3.577 -2.386 11.233 1.00 0.00 C ATOM 998 NE1 TRP A 598 2.625 -3.244 13.061 1.00 0.00 N ATOM 999 CE2 TRP A 598 2.615 -2.157 12.195 1.00 0.00 C ATOM 1000 CE3 TRP A 598 3.816 -1.462 10.200 1.00 0.00 C ATOM 1001 CZ2 TRP A 598 1.815 -1.008 12.220 1.00 0.00 C ATOM 1002 CZ3 TRP A 598 3.008 -0.319 10.240 1.00 0.00 C ATOM 1003 CH2 TRP A 598 2.035 -0.073 11.201 1.00 0.00 C ATOM 0 H TRP A 598 5.383 -6.674 11.779 1.00 0.00 H new ATOM 0 HA TRP A 598 3.986 -5.401 9.506 1.00 0.00 H new ATOM 0 HB2 TRP A 598 6.167 -4.512 11.373 1.00 0.00 H new ATOM 0 HB3 TRP A 598 5.674 -3.616 9.950 1.00 0.00 H new ATOM 0 HD1 TRP A 598 3.831 -5.059 13.089 1.00 0.00 H new ATOM 0 HE1 TRP A 598 2.027 -3.372 13.877 1.00 0.00 H new ATOM 0 HE3 TRP A 598 4.563 -1.621 9.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 1.068 -0.851 12.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 3.151 0.424 9.469 1.00 0.00 H new ATOM 0 HH2 TRP A 598 1.451 0.835 11.162 1.00 0.00 H new ATOM 1014 N ASP A 599 5.564 -6.013 7.738 1.00 0.00 N ATOM 1015 CA ASP A 599 6.439 -6.438 6.659 1.00 0.00 C ATOM 1016 C ASP A 599 7.242 -5.237 6.155 1.00 0.00 C ATOM 1017 O ASP A 599 7.857 -5.299 5.092 1.00 0.00 O ATOM 1018 CB ASP A 599 5.633 -6.995 5.483 1.00 0.00 C ATOM 1019 CG ASP A 599 4.551 -8.007 5.863 1.00 0.00 C ATOM 1020 OD1 ASP A 599 3.348 -7.715 5.788 1.00 0.00 O ATOM 1021 OD2 ASP A 599 4.992 -9.155 6.256 1.00 0.00 O ATOM 0 H ASP A 599 4.662 -5.646 7.436 1.00 0.00 H new ATOM 0 HA ASP A 599 7.097 -7.216 7.046 1.00 0.00 H new ATOM 0 HB2 ASP A 599 5.163 -6.163 4.958 1.00 0.00 H new ATOM 0 HB3 ASP A 599 6.321 -7.467 4.782 1.00 0.00 H new ATOM 1027 N SER A 600 7.210 -4.172 6.943 1.00 0.00 N ATOM 1028 CA SER A 600 7.926 -2.958 6.590 1.00 0.00 C ATOM 1029 C SER A 600 9.416 -3.262 6.417 1.00 0.00 C ATOM 1030 O SER A 600 9.842 -3.705 5.351 1.00 0.00 O ATOM 1031 CB SER A 600 7.726 -1.873 7.650 1.00 0.00 C ATOM 1032 OG SER A 600 8.057 -2.334 8.956 1.00 0.00 O ATOM 0 H SER A 600 6.699 -4.125 7.825 1.00 0.00 H new ATOM 0 HA SER A 600 7.525 -2.586 5.647 1.00 0.00 H new ATOM 0 HB2 SER A 600 8.342 -1.008 7.404 1.00 0.00 H new ATOM 0 HB3 SER A 600 6.688 -1.539 7.636 1.00 0.00 H new ATOM 0 HG SER A 600 7.917 -1.611 9.603 1.00 0.00 H new ATOM 1038 N ASN A 601 10.166 -3.011 7.479 1.00 0.00 N ATOM 1039 CA ASN A 601 11.599 -3.252 7.458 1.00 0.00 C ATOM 1040 C ASN A 601 12.230 -2.665 8.722 1.00 0.00 C ATOM 1041 O ASN A 601 13.309 -2.078 8.666 1.00 0.00 O ATOM 1042 CB ASN A 601 12.252 -2.581 6.248 1.00 0.00 C ATOM 1043 CG ASN A 601 13.225 -3.534 5.551 1.00 0.00 C ATOM 1044 OD1 ASN A 601 12.873 -4.268 4.643 1.00 0.00 O ATOM 1045 ND2 ASN A 601 14.466 -3.482 6.026 1.00 0.00 N ATOM 0 H ASN A 601 9.809 -2.643 8.361 1.00 0.00 H new ATOM 0 HA ASN A 601 11.759 -4.329 7.404 1.00 0.00 H new ATOM 0 HB2 ASN A 601 11.482 -2.263 5.545 1.00 0.00 H new ATOM 0 HB3 ASN A 601 12.782 -1.684 6.567 1.00 0.00 H new ATOM 0 HD21 ASN A 601 15.190 -4.080 5.628 1.00 0.00 H new ATOM 0 HD22 ASN A 601 14.694 -2.844 6.789 1.00 0.00 H new ATOM 1052 N ASN A 602 11.529 -2.844 9.832 1.00 0.00 N ATOM 1053 CA ASN A 602 12.007 -2.340 11.108 1.00 0.00 C ATOM 1054 C ASN A 602 11.784 -0.827 11.170 1.00 0.00 C ATOM 1055 O ASN A 602 11.149 -0.327 12.097 1.00 0.00 O ATOM 1056 CB ASN A 602 13.504 -2.604 11.279 1.00 0.00 C ATOM 1057 CG ASN A 602 13.795 -3.258 12.632 1.00 0.00 C ATOM 1058 OD1 ASN A 602 12.959 -3.306 13.519 1.00 0.00 O ATOM 1059 ND2 ASN A 602 15.023 -3.757 12.738 1.00 0.00 N ATOM 0 H ASN A 602 10.634 -3.331 9.874 1.00 0.00 H new ATOM 0 HA ASN A 602 11.458 -2.851 11.899 1.00 0.00 H new ATOM 0 HB2 ASN A 602 13.857 -3.250 10.475 1.00 0.00 H new ATOM 0 HB3 ASN A 602 14.054 -1.666 11.199 1.00 0.00 H new ATOM 0 HD21 ASN A 602 15.315 -4.215 13.602 1.00 0.00 H new ATOM 0 HD22 ASN A 602 15.673 -3.682 11.956 1.00 0.00 H new ATOM 1066 N THR A 603 12.318 -0.142 10.170 1.00 0.00 N ATOM 1067 CA THR A 603 12.185 1.304 10.098 1.00 0.00 C ATOM 1068 C THR A 603 12.785 1.831 8.793 1.00 0.00 C ATOM 1069 O THR A 603 13.604 2.748 8.809 1.00 0.00 O ATOM 1070 CB THR A 603 12.832 1.900 11.349 1.00 0.00 C ATOM 1071 OG1 THR A 603 12.317 3.227 11.408 1.00 0.00 O ATOM 1072 CG2 THR A 603 14.342 2.094 11.192 1.00 0.00 C ATOM 0 H THR A 603 12.844 -0.561 9.403 1.00 0.00 H new ATOM 0 HA THR A 603 11.137 1.605 10.081 1.00 0.00 H new ATOM 0 HB THR A 603 12.636 1.251 12.202 1.00 0.00 H new ATOM 0 HG1 THR A 603 12.630 3.734 10.630 1.00 0.00 H new ATOM 0 HG21 THR A 603 14.751 2.520 12.108 1.00 0.00 H new ATOM 0 HG22 THR A 603 14.814 1.131 10.997 1.00 0.00 H new ATOM 0 HG23 THR A 603 14.537 2.770 10.359 1.00 0.00 H new ATOM 1080 N LYS A 604 12.354 1.228 7.695 1.00 0.00 N ATOM 1081 CA LYS A 604 12.838 1.625 6.384 1.00 0.00 C ATOM 1082 C LYS A 604 11.791 1.267 5.328 1.00 0.00 C ATOM 1083 O LYS A 604 12.059 0.475 4.426 1.00 0.00 O ATOM 1084 CB LYS A 604 14.216 1.015 6.115 1.00 0.00 C ATOM 1085 CG LYS A 604 15.326 2.035 6.373 1.00 0.00 C ATOM 1086 CD LYS A 604 15.789 2.684 5.067 1.00 0.00 C ATOM 1087 CE LYS A 604 17.246 3.141 5.167 1.00 0.00 C ATOM 1088 NZ LYS A 604 17.333 4.447 5.858 1.00 0.00 N ATOM 0 H LYS A 604 11.675 0.467 7.686 1.00 0.00 H new ATOM 0 HA LYS A 604 12.978 2.705 6.341 1.00 0.00 H new ATOM 0 HB2 LYS A 604 14.363 0.143 6.753 1.00 0.00 H new ATOM 0 HB3 LYS A 604 14.269 0.668 5.083 1.00 0.00 H new ATOM 0 HG2 LYS A 604 14.967 2.803 7.058 1.00 0.00 H new ATOM 0 HG3 LYS A 604 16.170 1.545 6.859 1.00 0.00 H new ATOM 0 HD2 LYS A 604 15.682 1.974 4.247 1.00 0.00 H new ATOM 0 HD3 LYS A 604 15.152 3.537 4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 604 17.830 2.397 5.708 1.00 0.00 H new ATOM 0 HE3 LYS A 604 17.678 3.221 4.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 18.328 4.743 5.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 16.792 5.158 5.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 16.940 4.359 6.817 1.00 0.00 H new ATOM 1101 N ASN A 605 10.619 1.868 5.476 1.00 0.00 N ATOM 1102 CA ASN A 605 9.530 1.623 4.546 1.00 0.00 C ATOM 1103 C ASN A 605 10.002 1.925 3.122 1.00 0.00 C ATOM 1104 O ASN A 605 11.200 2.065 2.879 1.00 0.00 O ATOM 1105 CB ASN A 605 8.333 2.527 4.849 1.00 0.00 C ATOM 1106 CG ASN A 605 8.041 2.565 6.350 1.00 0.00 C ATOM 1107 OD1 ASN A 605 7.864 1.548 7.000 1.00 0.00 O ATOM 1108 ND2 ASN A 605 8.000 3.792 6.862 1.00 0.00 N ATOM 0 H ASN A 605 10.400 2.524 6.226 1.00 0.00 H new ATOM 0 HA ASN A 605 9.229 0.580 4.647 1.00 0.00 H new ATOM 0 HB2 ASN A 605 8.534 3.536 4.488 1.00 0.00 H new ATOM 0 HB3 ASN A 605 7.455 2.166 4.313 1.00 0.00 H new ATOM 0 HD21 ASN A 605 7.811 3.924 7.856 1.00 0.00 H new ATOM 0 HD22 ASN A 605 8.157 4.601 6.261 1.00 0.00 H new ATOM 1115 N TYR A 606 9.037 2.016 2.220 1.00 0.00 N ATOM 1116 CA TYR A 606 9.339 2.299 0.827 1.00 0.00 C ATOM 1117 C TYR A 606 8.574 3.531 0.339 1.00 0.00 C ATOM 1118 O TYR A 606 7.609 3.958 0.972 1.00 0.00 O ATOM 1119 CB TYR A 606 8.869 1.076 0.037 1.00 0.00 C ATOM 1120 CG TYR A 606 9.548 -0.231 0.451 1.00 0.00 C ATOM 1121 CD1 TYR A 606 10.863 -0.466 0.103 1.00 0.00 C ATOM 1122 CD2 TYR A 606 8.846 -1.174 1.173 1.00 0.00 C ATOM 1123 CE1 TYR A 606 11.501 -1.696 0.492 1.00 0.00 C ATOM 1124 CE2 TYR A 606 9.485 -2.405 1.563 1.00 0.00 C ATOM 1125 CZ TYR A 606 10.781 -2.605 1.203 1.00 0.00 C ATOM 1126 OH TYR A 606 11.385 -3.767 1.571 1.00 0.00 O ATOM 0 H TYR A 606 8.045 1.899 2.426 1.00 0.00 H new ATOM 0 HA TYR A 606 10.403 2.497 0.698 1.00 0.00 H new ATOM 0 HB2 TYR A 606 7.791 0.969 0.161 1.00 0.00 H new ATOM 0 HB3 TYR A 606 9.053 1.249 -1.023 1.00 0.00 H new ATOM 0 HD1 TYR A 606 11.413 0.273 -0.461 1.00 0.00 H new ATOM 0 HD2 TYR A 606 7.817 -0.989 1.446 1.00 0.00 H new ATOM 0 HE1 TYR A 606 12.529 -1.893 0.225 1.00 0.00 H new ATOM 0 HE2 TYR A 606 8.947 -3.152 2.128 1.00 0.00 H new ATOM 0 HH TYR A 606 10.751 -4.320 2.074 1.00 0.00 H new ATOM 1136 N LEU A 607 9.034 4.069 -0.781 1.00 0.00 N ATOM 1137 CA LEU A 607 8.405 5.243 -1.361 1.00 0.00 C ATOM 1138 C LEU A 607 7.659 4.841 -2.635 1.00 0.00 C ATOM 1139 O LEU A 607 8.215 4.160 -3.495 1.00 0.00 O ATOM 1140 CB LEU A 607 9.437 6.352 -1.577 1.00 0.00 C ATOM 1141 CG LEU A 607 10.903 5.944 -1.415 1.00 0.00 C ATOM 1142 CD1 LEU A 607 11.838 7.067 -1.870 1.00 0.00 C ATOM 1143 CD2 LEU A 607 11.194 5.503 0.020 1.00 0.00 C ATOM 0 H LEU A 607 9.835 3.713 -1.302 1.00 0.00 H new ATOM 0 HA LEU A 607 7.665 5.656 -0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 607 9.302 6.757 -2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 607 9.226 7.160 -0.876 1.00 0.00 H new ATOM 0 HG LEU A 607 11.092 5.086 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 607 12.874 6.751 -1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 607 11.652 7.292 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 607 11.655 7.958 -1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 607 12.243 5.218 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 607 10.983 6.326 0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 607 10.564 4.650 0.273 1.00 0.00 H new ATOM 1155 N PHE A 608 6.411 5.278 -2.714 1.00 0.00 N ATOM 1156 CA PHE A 608 5.583 4.972 -3.868 1.00 0.00 C ATOM 1157 C PHE A 608 4.954 6.242 -4.444 1.00 0.00 C ATOM 1158 O PHE A 608 4.601 7.157 -3.701 1.00 0.00 O ATOM 1159 CB PHE A 608 4.470 4.040 -3.386 1.00 0.00 C ATOM 1160 CG PHE A 608 4.970 2.839 -2.580 1.00 0.00 C ATOM 1161 CD1 PHE A 608 5.719 1.878 -3.184 1.00 0.00 C ATOM 1162 CD2 PHE A 608 4.665 2.733 -1.258 1.00 0.00 C ATOM 1163 CE1 PHE A 608 6.182 0.764 -2.437 1.00 0.00 C ATOM 1164 CE2 PHE A 608 5.129 1.618 -0.511 1.00 0.00 C ATOM 1165 CZ PHE A 608 5.878 0.658 -1.115 1.00 0.00 C ATOM 0 H PHE A 608 5.953 5.842 -1.998 1.00 0.00 H new ATOM 0 HA PHE A 608 6.189 4.512 -4.649 1.00 0.00 H new ATOM 0 HB2 PHE A 608 3.772 4.611 -2.773 1.00 0.00 H new ATOM 0 HB3 PHE A 608 3.913 3.678 -4.250 1.00 0.00 H new ATOM 0 HD1 PHE A 608 5.962 1.963 -4.233 1.00 0.00 H new ATOM 0 HD2 PHE A 608 4.071 3.496 -0.777 1.00 0.00 H new ATOM 0 HE1 PHE A 608 6.776 0.000 -2.918 1.00 0.00 H new ATOM 0 HE2 PHE A 608 4.887 1.533 0.538 1.00 0.00 H new ATOM 0 HZ PHE A 608 6.232 -0.189 -0.546 1.00 0.00 H new ATOM 1175 N SER A 609 4.833 6.258 -5.764 1.00 0.00 N ATOM 1176 CA SER A 609 4.252 7.401 -6.448 1.00 0.00 C ATOM 1177 C SER A 609 2.916 7.009 -7.081 1.00 0.00 C ATOM 1178 O SER A 609 2.572 5.829 -7.134 1.00 0.00 O ATOM 1179 CB SER A 609 5.205 7.947 -7.514 1.00 0.00 C ATOM 1180 OG SER A 609 4.637 9.043 -8.226 1.00 0.00 O ATOM 0 H SER A 609 5.127 5.498 -6.377 1.00 0.00 H new ATOM 0 HA SER A 609 4.081 8.188 -5.714 1.00 0.00 H new ATOM 0 HB2 SER A 609 6.134 8.264 -7.041 1.00 0.00 H new ATOM 0 HB3 SER A 609 5.459 7.152 -8.215 1.00 0.00 H new ATOM 0 HG SER A 609 4.799 9.874 -7.732 1.00 0.00 H new ATOM 1186 N THR A 610 2.197 8.021 -7.544 1.00 0.00 N ATOM 1187 CA THR A 610 0.906 7.797 -8.171 1.00 0.00 C ATOM 1188 C THR A 610 1.052 6.864 -9.375 1.00 0.00 C ATOM 1189 O THR A 610 2.162 6.623 -9.847 1.00 0.00 O ATOM 1190 CB THR A 610 0.311 9.161 -8.529 1.00 0.00 C ATOM 1191 OG1 THR A 610 1.309 9.773 -9.340 1.00 0.00 O ATOM 1192 CG2 THR A 610 0.197 10.086 -7.316 1.00 0.00 C ATOM 0 H THR A 610 2.484 8.999 -7.497 1.00 0.00 H new ATOM 0 HA THR A 610 0.219 7.294 -7.491 1.00 0.00 H new ATOM 0 HB THR A 610 -0.675 9.022 -8.973 1.00 0.00 H new ATOM 0 HG1 THR A 610 1.005 10.662 -9.618 1.00 0.00 H new ATOM 0 HG21 THR A 610 -0.231 11.040 -7.625 1.00 0.00 H new ATOM 0 HG22 THR A 610 -0.447 9.625 -6.566 1.00 0.00 H new ATOM 0 HG23 THR A 610 1.187 10.253 -6.891 1.00 0.00 H new ATOM 1200 N GLY A 611 -0.085 6.363 -9.836 1.00 0.00 N ATOM 1201 CA GLY A 611 -0.097 5.462 -10.976 1.00 0.00 C ATOM 1202 C GLY A 611 -0.569 4.065 -10.564 1.00 0.00 C ATOM 1203 O GLY A 611 -1.637 3.917 -9.971 1.00 0.00 O ATOM 0 H GLY A 611 -1.004 6.564 -9.441 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -0.754 5.858 -11.751 1.00 0.00 H new ATOM 0 HA3 GLY A 611 0.903 5.400 -11.406 1.00 0.00 H new ATOM 1207 N THR A 612 0.249 3.077 -10.896 1.00 0.00 N ATOM 1208 CA THR A 612 -0.072 1.699 -10.569 1.00 0.00 C ATOM 1209 C THR A 612 1.086 1.047 -9.810 1.00 0.00 C ATOM 1210 O THR A 612 2.245 1.189 -10.198 1.00 0.00 O ATOM 1211 CB THR A 612 -0.429 0.975 -11.869 1.00 0.00 C ATOM 1212 OG1 THR A 612 -1.098 1.965 -12.645 1.00 0.00 O ATOM 1213 CG2 THR A 612 -1.485 -0.113 -11.663 1.00 0.00 C ATOM 0 H THR A 612 1.133 3.204 -11.388 1.00 0.00 H new ATOM 0 HA THR A 612 -0.931 1.642 -9.901 1.00 0.00 H new ATOM 0 HB THR A 612 0.471 0.531 -12.296 1.00 0.00 H new ATOM 0 HG1 THR A 612 -1.364 1.581 -13.507 1.00 0.00 H new ATOM 0 HG21 THR A 612 -1.702 -0.595 -12.616 1.00 0.00 H new ATOM 0 HG22 THR A 612 -1.110 -0.855 -10.958 1.00 0.00 H new ATOM 0 HG23 THR A 612 -2.397 0.335 -11.268 1.00 0.00 H new ATOM 1221 N SER A 613 0.732 0.348 -8.742 1.00 0.00 N ATOM 1222 CA SER A 613 1.727 -0.325 -7.925 1.00 0.00 C ATOM 1223 C SER A 613 1.184 -1.672 -7.442 1.00 0.00 C ATOM 1224 O SER A 613 -0.029 -1.874 -7.391 1.00 0.00 O ATOM 1225 CB SER A 613 2.137 0.540 -6.732 1.00 0.00 C ATOM 1226 OG SER A 613 3.527 0.421 -6.439 1.00 0.00 O ATOM 0 H SER A 613 -0.230 0.233 -8.423 1.00 0.00 H new ATOM 0 HA SER A 613 2.613 -0.496 -8.537 1.00 0.00 H new ATOM 0 HB2 SER A 613 1.899 1.583 -6.941 1.00 0.00 H new ATOM 0 HB3 SER A 613 1.556 0.250 -5.857 1.00 0.00 H new ATOM 0 HG SER A 613 3.750 0.990 -5.672 1.00 0.00 H new ATOM 1232 N THR A 614 2.107 -2.558 -7.099 1.00 0.00 N ATOM 1233 CA THR A 614 1.736 -3.879 -6.621 1.00 0.00 C ATOM 1234 C THR A 614 2.519 -4.228 -5.355 1.00 0.00 C ATOM 1235 O THR A 614 3.739 -4.073 -5.312 1.00 0.00 O ATOM 1236 CB THR A 614 1.953 -4.873 -7.764 1.00 0.00 C ATOM 1237 OG1 THR A 614 1.147 -4.366 -8.823 1.00 0.00 O ATOM 1238 CG2 THR A 614 1.355 -6.249 -7.465 1.00 0.00 C ATOM 0 H THR A 614 3.112 -2.387 -7.143 1.00 0.00 H new ATOM 0 HA THR A 614 0.685 -3.915 -6.334 1.00 0.00 H new ATOM 0 HB THR A 614 3.021 -4.976 -7.957 1.00 0.00 H new ATOM 0 HG1 THR A 614 1.279 -4.913 -9.625 1.00 0.00 H new ATOM 0 HG21 THR A 614 1.537 -6.916 -8.308 1.00 0.00 H new ATOM 0 HG22 THR A 614 1.820 -6.661 -6.569 1.00 0.00 H new ATOM 0 HG23 THR A 614 0.281 -6.152 -7.304 1.00 0.00 H new ATOM 1246 N TYR A 615 1.787 -4.693 -4.353 1.00 0.00 N ATOM 1247 CA TYR A 615 2.398 -5.065 -3.089 1.00 0.00 C ATOM 1248 C TYR A 615 2.376 -6.582 -2.895 1.00 0.00 C ATOM 1249 O TYR A 615 1.308 -7.185 -2.805 1.00 0.00 O ATOM 1250 CB TYR A 615 1.545 -4.411 -2.000 1.00 0.00 C ATOM 1251 CG TYR A 615 2.350 -3.605 -0.978 1.00 0.00 C ATOM 1252 CD1 TYR A 615 2.938 -4.243 0.095 1.00 0.00 C ATOM 1253 CD2 TYR A 615 2.489 -2.241 -1.131 1.00 0.00 C ATOM 1254 CE1 TYR A 615 3.696 -3.484 1.056 1.00 0.00 C ATOM 1255 CE2 TYR A 615 3.247 -1.482 -0.170 1.00 0.00 C ATOM 1256 CZ TYR A 615 3.813 -2.141 0.876 1.00 0.00 C ATOM 1257 OH TYR A 615 4.529 -1.425 1.784 1.00 0.00 O ATOM 0 H TYR A 615 0.776 -4.821 -4.391 1.00 0.00 H new ATOM 0 HA TYR A 615 3.438 -4.742 -3.056 1.00 0.00 H new ATOM 0 HB2 TYR A 615 0.814 -3.754 -2.471 1.00 0.00 H new ATOM 0 HB3 TYR A 615 0.986 -5.186 -1.477 1.00 0.00 H new ATOM 0 HD1 TYR A 615 2.830 -5.311 0.214 1.00 0.00 H new ATOM 0 HD2 TYR A 615 2.029 -1.742 -1.972 1.00 0.00 H new ATOM 0 HE1 TYR A 615 4.161 -3.970 1.901 1.00 0.00 H new ATOM 0 HE2 TYR A 615 3.363 -0.414 -0.278 1.00 0.00 H new ATOM 0 HH TYR A 615 4.502 -0.475 1.546 1.00 0.00 H new ATOM 1267 N THR A 616 3.569 -7.157 -2.836 1.00 0.00 N ATOM 1268 CA THR A 616 3.700 -8.592 -2.655 1.00 0.00 C ATOM 1269 C THR A 616 4.480 -8.899 -1.375 1.00 0.00 C ATOM 1270 O THR A 616 5.704 -9.012 -1.401 1.00 0.00 O ATOM 1271 CB THR A 616 4.348 -9.171 -3.914 1.00 0.00 C ATOM 1272 OG1 THR A 616 3.393 -8.923 -4.942 1.00 0.00 O ATOM 1273 CG2 THR A 616 4.459 -10.696 -3.868 1.00 0.00 C ATOM 0 H THR A 616 4.453 -6.654 -2.910 1.00 0.00 H new ATOM 0 HA THR A 616 2.726 -9.064 -2.527 1.00 0.00 H new ATOM 0 HB THR A 616 5.341 -8.739 -4.042 1.00 0.00 H new ATOM 0 HG1 THR A 616 3.734 -9.266 -5.795 1.00 0.00 H new ATOM 0 HG21 THR A 616 4.926 -11.055 -4.785 1.00 0.00 H new ATOM 0 HG22 THR A 616 5.067 -10.991 -3.012 1.00 0.00 H new ATOM 0 HG23 THR A 616 3.464 -11.131 -3.773 1.00 0.00 H new ATOM 1281 N PRO A 617 3.718 -9.028 -0.255 1.00 0.00 N ATOM 1282 CA PRO A 617 4.325 -9.320 1.033 1.00 0.00 C ATOM 1283 C PRO A 617 4.757 -10.785 1.116 1.00 0.00 C ATOM 1284 O PRO A 617 4.394 -11.592 0.262 1.00 0.00 O ATOM 1285 CB PRO A 617 3.264 -8.954 2.058 1.00 0.00 C ATOM 1286 CG PRO A 617 1.948 -8.913 1.300 1.00 0.00 C ATOM 1287 CD PRO A 617 2.266 -8.900 -0.186 1.00 0.00 C ATOM 0 HA PRO A 617 5.240 -8.753 1.206 1.00 0.00 H new ATOM 0 HB2 PRO A 617 3.228 -9.689 2.862 1.00 0.00 H new ATOM 0 HB3 PRO A 617 3.481 -7.989 2.517 1.00 0.00 H new ATOM 0 HG2 PRO A 617 1.335 -9.779 1.552 1.00 0.00 H new ATOM 0 HG3 PRO A 617 1.376 -8.027 1.576 1.00 0.00 H new ATOM 0 HD2 PRO A 617 1.771 -9.721 -0.704 1.00 0.00 H new ATOM 0 HD3 PRO A 617 1.927 -7.977 -0.655 1.00 0.00 H new ATOM 1295 N GLY A 618 5.527 -11.084 2.152 1.00 0.00 N ATOM 1296 CA GLY A 618 6.012 -12.438 2.358 1.00 0.00 C ATOM 1297 C GLY A 618 4.952 -13.303 3.042 1.00 0.00 C ATOM 1298 O GLY A 618 3.766 -12.976 3.013 1.00 0.00 O ATOM 0 H GLY A 618 5.827 -10.412 2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 618 6.284 -12.880 1.400 1.00 0.00 H new ATOM 0 HA3 GLY A 618 6.916 -12.415 2.967 1.00 0.00 H new ATOM 1302 N SER A 619 5.417 -14.389 3.642 1.00 0.00 N ATOM 1303 CA SER A 619 4.523 -15.303 4.332 1.00 0.00 C ATOM 1304 C SER A 619 4.967 -15.469 5.787 1.00 0.00 C ATOM 1305 O SER A 619 4.160 -15.328 6.705 1.00 0.00 O ATOM 1306 CB SER A 619 4.479 -16.663 3.633 1.00 0.00 C ATOM 1307 OG SER A 619 3.375 -16.767 2.737 1.00 0.00 O ATOM 0 H SER A 619 6.401 -14.656 3.665 1.00 0.00 H new ATOM 0 HA SER A 619 3.518 -14.881 4.310 1.00 0.00 H new ATOM 0 HB2 SER A 619 5.408 -16.819 3.084 1.00 0.00 H new ATOM 0 HB3 SER A 619 4.415 -17.453 4.381 1.00 0.00 H new ATOM 0 HG SER A 619 3.383 -17.649 2.309 1.00 0.00 H new ATOM 1313 N ASN A 620 6.247 -15.767 5.952 1.00 0.00 N ATOM 1314 CA ASN A 620 6.807 -15.954 7.280 1.00 0.00 C ATOM 1315 C ASN A 620 7.415 -14.636 7.762 1.00 0.00 C ATOM 1316 O ASN A 620 8.628 -14.536 7.940 1.00 0.00 O ATOM 1317 CB ASN A 620 7.915 -17.009 7.267 1.00 0.00 C ATOM 1318 CG ASN A 620 7.355 -18.397 7.586 1.00 0.00 C ATOM 1319 OD1 ASN A 620 6.755 -19.058 6.755 1.00 0.00 O ATOM 1320 ND2 ASN A 620 7.583 -18.799 8.833 1.00 0.00 N ATOM 0 H ASN A 620 6.913 -15.884 5.188 1.00 0.00 H new ATOM 0 HA ASN A 620 6.005 -16.282 7.941 1.00 0.00 H new ATOM 0 HB2 ASN A 620 8.397 -17.023 6.289 1.00 0.00 H new ATOM 0 HB3 ASN A 620 8.681 -16.746 7.996 1.00 0.00 H new ATOM 0 HD21 ASN A 620 7.248 -19.711 9.144 1.00 0.00 H new ATOM 0 HD22 ASN A 620 8.093 -18.195 9.478 1.00 0.00 H new ATOM 1327 N GLY A 621 6.545 -13.657 7.960 1.00 0.00 N ATOM 1328 CA GLY A 621 6.981 -12.349 8.419 1.00 0.00 C ATOM 1329 C GLY A 621 8.287 -11.936 7.737 1.00 0.00 C ATOM 1330 O GLY A 621 9.245 -11.551 8.405 1.00 0.00 O ATOM 0 H GLY A 621 5.540 -13.743 7.811 1.00 0.00 H new ATOM 0 HA2 GLY A 621 6.208 -11.610 8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 621 7.121 -12.367 9.500 1.00 0.00 H new ATOM 1334 N ALA A 622 8.283 -12.031 6.415 1.00 0.00 N ATOM 1335 CA ALA A 622 9.455 -11.672 5.636 1.00 0.00 C ATOM 1336 C ALA A 622 9.081 -10.580 4.632 1.00 0.00 C ATOM 1337 O ALA A 622 8.433 -10.854 3.623 1.00 0.00 O ATOM 1338 CB ALA A 622 10.018 -12.922 4.955 1.00 0.00 C ATOM 0 H ALA A 622 7.486 -12.351 5.864 1.00 0.00 H new ATOM 0 HA ALA A 622 10.237 -11.272 6.282 1.00 0.00 H new ATOM 0 HB1 ALA A 622 10.898 -12.653 4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 622 10.296 -13.655 5.712 1.00 0.00 H new ATOM 0 HB3 ALA A 622 9.262 -13.350 4.297 1.00 0.00 H new ATOM 1344 N ALA A 623 9.504 -9.364 4.944 1.00 0.00 N ATOM 1345 CA ALA A 623 9.221 -8.229 4.082 1.00 0.00 C ATOM 1346 C ALA A 623 9.336 -8.663 2.620 1.00 0.00 C ATOM 1347 O ALA A 623 10.324 -9.284 2.229 1.00 0.00 O ATOM 1348 CB ALA A 623 10.170 -7.078 4.425 1.00 0.00 C ATOM 0 H ALA A 623 10.041 -9.140 5.782 1.00 0.00 H new ATOM 0 HA ALA A 623 8.204 -7.871 4.240 1.00 0.00 H new ATOM 0 HB1 ALA A 623 9.958 -6.227 3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 623 10.028 -6.787 5.466 1.00 0.00 H new ATOM 0 HB3 ALA A 623 11.201 -7.399 4.275 1.00 0.00 H new ATOM 1354 N GLY A 624 8.313 -8.320 1.851 1.00 0.00 N ATOM 1355 CA GLY A 624 8.287 -8.667 0.440 1.00 0.00 C ATOM 1356 C GLY A 624 8.852 -7.530 -0.414 1.00 0.00 C ATOM 1357 O GLY A 624 9.891 -6.960 -0.087 1.00 0.00 O ATOM 0 H GLY A 624 7.496 -7.805 2.178 1.00 0.00 H new ATOM 0 HA2 GLY A 624 8.868 -9.574 0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 624 7.263 -8.883 0.134 1.00 0.00 H new ATOM 1361 N THR A 625 8.141 -7.235 -1.493 1.00 0.00 N ATOM 1362 CA THR A 625 8.558 -6.177 -2.397 1.00 0.00 C ATOM 1363 C THR A 625 7.345 -5.572 -3.106 1.00 0.00 C ATOM 1364 O THR A 625 6.238 -6.100 -3.010 1.00 0.00 O ATOM 1365 CB THR A 625 9.597 -6.759 -3.359 1.00 0.00 C ATOM 1366 OG1 THR A 625 10.239 -7.779 -2.600 1.00 0.00 O ATOM 1367 CG2 THR A 625 10.719 -5.769 -3.677 1.00 0.00 C ATOM 0 H THR A 625 7.279 -7.710 -1.761 1.00 0.00 H new ATOM 0 HA THR A 625 9.022 -5.353 -1.854 1.00 0.00 H new ATOM 0 HB THR A 625 9.106 -7.061 -4.284 1.00 0.00 H new ATOM 0 HG1 THR A 625 10.928 -8.210 -3.148 1.00 0.00 H new ATOM 0 HG21 THR A 625 11.429 -6.231 -4.363 1.00 0.00 H new ATOM 0 HG22 THR A 625 10.297 -4.877 -4.139 1.00 0.00 H new ATOM 0 HG23 THR A 625 11.232 -5.493 -2.756 1.00 0.00 H new ATOM 1375 N ILE A 626 7.594 -4.472 -3.802 1.00 0.00 N ATOM 1376 CA ILE A 626 6.536 -3.790 -4.527 1.00 0.00 C ATOM 1377 C ILE A 626 6.908 -3.710 -6.009 1.00 0.00 C ATOM 1378 O ILE A 626 8.039 -3.367 -6.351 1.00 0.00 O ATOM 1379 CB ILE A 626 6.243 -2.429 -3.892 1.00 0.00 C ATOM 1380 CG1 ILE A 626 6.823 -2.347 -2.479 1.00 0.00 C ATOM 1381 CG2 ILE A 626 4.744 -2.124 -3.916 1.00 0.00 C ATOM 1382 CD1 ILE A 626 8.262 -1.830 -2.505 1.00 0.00 C ATOM 0 H ILE A 626 8.513 -4.036 -3.879 1.00 0.00 H new ATOM 0 HA ILE A 626 5.605 -4.354 -4.462 1.00 0.00 H new ATOM 0 HB ILE A 626 6.737 -1.661 -4.487 1.00 0.00 H new ATOM 0 HG12 ILE A 626 6.207 -1.688 -1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 626 6.795 -3.332 -2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 626 4.563 -1.151 -3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 626 4.392 -2.111 -4.947 1.00 0.00 H new ATOM 0 HG23 ILE A 626 4.207 -2.892 -3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 626 8.650 -1.782 -1.487 1.00 0.00 H new ATOM 0 HD12 ILE A 626 8.880 -2.505 -3.097 1.00 0.00 H new ATOM 0 HD13 ILE A 626 8.283 -0.835 -2.949 1.00 0.00 H new ATOM 1394 N ARG A 627 5.935 -4.033 -6.849 1.00 0.00 N ATOM 1395 CA ARG A 627 6.147 -4.002 -8.286 1.00 0.00 C ATOM 1396 C ARG A 627 5.212 -2.981 -8.938 1.00 0.00 C ATOM 1397 O ARG A 627 3.992 -3.081 -8.811 1.00 0.00 O ATOM 1398 CB ARG A 627 5.901 -5.378 -8.908 1.00 0.00 C ATOM 1399 CG ARG A 627 7.126 -5.850 -9.695 1.00 0.00 C ATOM 1400 CD ARG A 627 6.899 -5.708 -11.201 1.00 0.00 C ATOM 1401 NE ARG A 627 6.138 -6.870 -11.710 1.00 0.00 N ATOM 1402 CZ ARG A 627 6.667 -8.098 -11.897 1.00 0.00 C ATOM 1403 NH1 ARG A 627 7.966 -8.334 -11.616 1.00 0.00 N ATOM 1404 NH2 ARG A 627 5.895 -9.065 -12.357 1.00 0.00 N ATOM 0 H ARG A 627 4.998 -4.317 -6.562 1.00 0.00 H new ATOM 0 HA ARG A 627 7.184 -3.716 -8.463 1.00 0.00 H new ATOM 0 HB2 ARG A 627 5.668 -6.099 -8.125 1.00 0.00 H new ATOM 0 HB3 ARG A 627 5.035 -5.333 -9.568 1.00 0.00 H new ATOM 0 HG2 ARG A 627 7.999 -5.268 -9.399 1.00 0.00 H new ATOM 0 HG3 ARG A 627 7.339 -6.891 -9.452 1.00 0.00 H new ATOM 0 HD2 ARG A 627 6.355 -4.787 -11.410 1.00 0.00 H new ATOM 0 HD3 ARG A 627 7.857 -5.636 -11.716 1.00 0.00 H new ATOM 0 HE ARG A 627 5.152 -6.735 -11.934 1.00 0.00 H new ATOM 0 HH11 ARG A 627 8.556 -7.582 -11.260 1.00 0.00 H new ATOM 0 HH12 ARG A 627 8.358 -9.265 -11.760 1.00 0.00 H new ATOM 0 HH21 ARG A 627 4.914 -8.879 -12.566 1.00 0.00 H new ATOM 0 HH22 ARG A 627 6.279 -9.998 -12.504 1.00 0.00 H new ATOM 1417 N THR A 628 5.819 -2.023 -9.622 1.00 0.00 N ATOM 1418 CA THR A 628 5.057 -0.985 -10.295 1.00 0.00 C ATOM 1419 C THR A 628 4.443 -1.526 -11.587 1.00 0.00 C ATOM 1420 O THR A 628 5.015 -2.406 -12.229 1.00 0.00 O ATOM 1421 CB THR A 628 5.982 0.213 -10.516 1.00 0.00 C ATOM 1422 OG1 THR A 628 7.174 -0.134 -9.816 1.00 0.00 O ATOM 1423 CG2 THR A 628 5.487 1.475 -9.806 1.00 0.00 C ATOM 0 H THR A 628 6.831 -1.944 -9.725 1.00 0.00 H new ATOM 0 HA THR A 628 4.215 -0.655 -9.686 1.00 0.00 H new ATOM 0 HB THR A 628 6.071 0.409 -11.584 1.00 0.00 H new ATOM 0 HG1 THR A 628 7.830 0.588 -9.909 1.00 0.00 H new ATOM 0 HG21 THR A 628 6.180 2.295 -9.996 1.00 0.00 H new ATOM 0 HG22 THR A 628 4.499 1.740 -10.182 1.00 0.00 H new ATOM 0 HG23 THR A 628 5.429 1.290 -8.733 1.00 0.00 H new ATOM 1431 N GLY A 629 3.287 -0.977 -11.931 1.00 0.00 N ATOM 1432 CA GLY A 629 2.590 -1.394 -13.136 1.00 0.00 C ATOM 1433 C GLY A 629 1.362 -2.239 -12.794 1.00 0.00 C ATOM 1434 O GLY A 629 1.404 -3.061 -11.880 1.00 0.00 O ATOM 0 H GLY A 629 2.816 -0.247 -11.396 1.00 0.00 H new ATOM 0 HA2 GLY A 629 2.285 -0.516 -13.706 1.00 0.00 H new ATOM 0 HA3 GLY A 629 3.265 -1.968 -13.771 1.00 0.00 H new ATOM 1438 N ALA A 630 0.296 -2.008 -13.546 1.00 0.00 N ATOM 1439 CA ALA A 630 -0.943 -2.738 -13.334 1.00 0.00 C ATOM 1440 C ALA A 630 -0.691 -4.233 -13.540 1.00 0.00 C ATOM 1441 O ALA A 630 -0.293 -4.655 -14.625 1.00 0.00 O ATOM 1442 CB ALA A 630 -2.023 -2.194 -14.271 1.00 0.00 C ATOM 0 H ALA A 630 0.264 -1.325 -14.303 1.00 0.00 H new ATOM 0 HA ALA A 630 -1.299 -2.602 -12.313 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -2.952 -2.741 -14.112 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -2.185 -1.136 -14.064 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -1.702 -2.316 -15.306 1.00 0.00 H new ATOM 1448 N PRO A 631 -0.938 -5.012 -12.454 1.00 0.00 N ATOM 1449 CA PRO A 631 -0.742 -6.451 -12.505 1.00 0.00 C ATOM 1450 C PRO A 631 -1.866 -7.130 -13.292 1.00 0.00 C ATOM 1451 O PRO A 631 -2.889 -6.510 -13.579 1.00 0.00 O ATOM 1452 CB PRO A 631 -0.684 -6.893 -11.052 1.00 0.00 C ATOM 1453 CG PRO A 631 -1.311 -5.765 -10.248 1.00 0.00 C ATOM 1454 CD PRO A 631 -1.409 -4.547 -11.153 1.00 0.00 C ATOM 0 HA PRO A 631 0.171 -6.732 -13.029 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -1.228 -7.826 -10.906 1.00 0.00 H new ATOM 0 HB3 PRO A 631 0.345 -7.071 -10.739 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -2.299 -6.055 -9.889 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -0.706 -5.540 -9.369 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -2.433 -4.179 -11.211 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -0.796 -3.726 -10.780 1.00 0.00 H new ATOM 1462 N SER A 632 -1.638 -8.394 -13.617 1.00 0.00 N ATOM 1463 CA SER A 632 -2.618 -9.163 -14.365 1.00 0.00 C ATOM 1464 C SER A 632 -2.179 -10.626 -14.451 1.00 0.00 C ATOM 1465 O SER A 632 -1.654 -11.060 -15.476 1.00 0.00 O ATOM 1466 CB SER A 632 -2.819 -8.585 -15.767 1.00 0.00 C ATOM 1467 OG SER A 632 -4.195 -8.543 -16.135 1.00 0.00 O ATOM 0 H SER A 632 -0.789 -8.905 -13.376 1.00 0.00 H new ATOM 0 HA SER A 632 -3.571 -9.106 -13.839 1.00 0.00 H new ATOM 0 HB2 SER A 632 -2.402 -7.579 -15.807 1.00 0.00 H new ATOM 0 HB3 SER A 632 -2.269 -9.187 -16.490 1.00 0.00 H new ATOM 0 HG SER A 632 -4.281 -8.166 -17.036 1.00 0.00 H new ATOM 1473 N GLY A 633 -2.411 -11.346 -13.363 1.00 0.00 N ATOM 1474 CA GLY A 633 -2.046 -12.751 -13.304 1.00 0.00 C ATOM 1475 C GLY A 633 -0.719 -13.004 -14.023 1.00 0.00 C ATOM 1476 O GLY A 633 -0.355 -14.151 -14.276 1.00 0.00 O ATOM 0 H GLY A 633 -2.847 -10.983 -12.516 1.00 0.00 H new ATOM 0 HA2 GLY A 633 -1.966 -13.066 -12.264 1.00 0.00 H new ATOM 0 HA3 GLY A 633 -2.831 -13.354 -13.760 1.00 0.00 H new TER 1480 GLY A 633