USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=34 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 103:sc= 1.2 USER MOD Set 1.2: A 610 THR OG1 : rot 180:sc= 0.00392 USER MOD Set 2.1: A 601 ASN : amide:sc= -0.0975 X(o=-0.11,f=-0.01) USER MOD Set 2.2: A 602 ASN : amide:sc= -0.0102 K(o=-0.11,f=-1.8) USER MOD Set 3.1: A 537 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 578 THR OG1 : rot 180:sc= 0 USER MOD Single : A 532 THR OG1 : rot 180:sc= -0.501 USER MOD Single : A 533 THR OG1 : rot 180:sc= 0.0226 USER MOD Single : A 534 ASN : amide:sc= -0.756 X(o=-0.76,f=-1) USER MOD Single : A 535 LYS NZ :NH3+ -142:sc= 0.512 (180deg=-0.0934) USER MOD Single : A 539 TYR OH : rot 84:sc= -0.21 USER MOD Single : A 540 TYR OH : rot 180:sc= -0.0619 USER MOD Single : A 541 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 542 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 ASN : amide:sc= -3.16 X(o=-3.2,f=-3.3) USER MOD Single : A 546 SER OG : rot 41:sc= 1.21 USER MOD Single : A 548 TYR OH : rot 180:sc= 0 USER MOD Single : A 550 HIS :FLIP no HE2:sc= -6! C(o=-8.2!,f=-6!) USER MOD Single : A 551 TYR OH : rot 160:sc= -4.71! USER MOD Single : A 557 SER OG : rot 180:sc= 0 USER MOD Single : A 559 THR OG1 : rot 130:sc= 1.43 USER MOD Single : A 565 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.185) USER MOD Single : A 566 MET CE :methyl 143:sc= -6.5! (180deg=-12.3!) USER MOD Single : A 567 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 572 SER OG : rot 180:sc= 0 USER MOD Single : A 574 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 LYS NZ :NH3+ 180:sc= 0 (180deg=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= -0.42 X(o=-0.42,f=-0.51) USER MOD Single : A 592 ASN : amide:sc= -1.32 K(o=-1.3,f=-7.6!) USER MOD Single : A 595 ASN : amide:sc= -0.357 K(o=-0.36,f=-3!) USER MOD Single : A 596 ASN : amide:sc= -0.0099 K(o=-0.0099,f=-0.56) USER MOD Single : A 597 ASN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 600 SER OG : rot -27:sc= 0.573 USER MOD Single : A 603 THR OG1 : rot -51:sc= 0.825 USER MOD Single : A 604 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 605 ASN :FLIP amide:sc= -5.57! C(o=-9.8!,f=-5.6!) USER MOD Single : A 606 TYR OH : rot 180:sc= 0 USER MOD Single : A 612 THR OG1 : rot 180:sc= -0.0255 USER MOD Single : A 613 SER OG : rot 180:sc= 0 USER MOD Single : A 614 THR OG1 : rot 86:sc= 0.382 USER MOD Single : A 615 TYR OH : rot 124:sc= 0.711 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=-0.021) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 628 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 530 -12.154 15.188 -7.764 1.00 0.00 N ATOM 2 CA GLY A 530 -11.099 14.320 -7.268 1.00 0.00 C ATOM 3 C GLY A 530 -10.481 14.884 -5.987 1.00 0.00 C ATOM 4 O GLY A 530 -10.051 14.130 -5.116 1.00 0.00 O ATOM 0 HA2 GLY A 530 -11.502 13.326 -7.074 1.00 0.00 H new ATOM 0 HA3 GLY A 530 -10.327 14.208 -8.030 1.00 0.00 H new ATOM 8 N GLY A 531 -10.455 16.207 -5.914 1.00 0.00 N ATOM 9 CA GLY A 531 -9.897 16.882 -4.755 1.00 0.00 C ATOM 10 C GLY A 531 -8.649 17.682 -5.135 1.00 0.00 C ATOM 11 O GLY A 531 -8.106 18.419 -4.313 1.00 0.00 O ATOM 0 H GLY A 531 -10.812 16.829 -6.639 1.00 0.00 H new ATOM 0 HA2 GLY A 531 -10.644 17.549 -4.324 1.00 0.00 H new ATOM 0 HA3 GLY A 531 -9.644 16.149 -3.989 1.00 0.00 H new ATOM 15 N THR A 532 -8.230 17.508 -6.379 1.00 0.00 N ATOM 16 CA THR A 532 -7.056 18.205 -6.878 1.00 0.00 C ATOM 17 C THR A 532 -5.780 17.510 -6.398 1.00 0.00 C ATOM 18 O THR A 532 -4.676 17.914 -6.758 1.00 0.00 O ATOM 19 CB THR A 532 -7.153 19.667 -6.440 1.00 0.00 C ATOM 20 OG1 THR A 532 -8.536 19.982 -6.582 1.00 0.00 O ATOM 21 CG2 THR A 532 -6.453 20.618 -7.414 1.00 0.00 C ATOM 0 H THR A 532 -8.682 16.895 -7.057 1.00 0.00 H new ATOM 0 HA THR A 532 -7.013 18.179 -7.967 1.00 0.00 H new ATOM 0 HB THR A 532 -6.717 19.777 -5.447 1.00 0.00 H new ATOM 0 HG1 THR A 532 -8.688 20.913 -6.317 1.00 0.00 H new ATOM 0 HG21 THR A 532 -6.552 21.643 -7.056 1.00 0.00 H new ATOM 0 HG22 THR A 532 -5.397 20.357 -7.481 1.00 0.00 H new ATOM 0 HG23 THR A 532 -6.911 20.532 -8.399 1.00 0.00 H new ATOM 29 N THR A 533 -5.975 16.477 -5.592 1.00 0.00 N ATOM 30 CA THR A 533 -4.853 15.722 -5.059 1.00 0.00 C ATOM 31 C THR A 533 -4.628 14.450 -5.879 1.00 0.00 C ATOM 32 O THR A 533 -5.535 13.981 -6.565 1.00 0.00 O ATOM 33 CB THR A 533 -5.128 15.450 -3.579 1.00 0.00 C ATOM 34 OG1 THR A 533 -6.416 14.842 -3.570 1.00 0.00 O ATOM 35 CG2 THR A 533 -5.317 16.736 -2.772 1.00 0.00 C ATOM 0 H THR A 533 -6.893 16.145 -5.295 1.00 0.00 H new ATOM 0 HA THR A 533 -3.924 16.287 -5.134 1.00 0.00 H new ATOM 0 HB THR A 533 -4.304 14.875 -3.157 1.00 0.00 H new ATOM 0 HG1 THR A 533 -6.672 14.631 -2.648 1.00 0.00 H new ATOM 0 HG21 THR A 533 -5.509 16.486 -1.729 1.00 0.00 H new ATOM 0 HG22 THR A 533 -4.415 17.344 -2.839 1.00 0.00 H new ATOM 0 HG23 THR A 533 -6.162 17.296 -3.173 1.00 0.00 H new ATOM 43 N ASN A 534 -3.414 13.928 -5.781 1.00 0.00 N ATOM 44 CA ASN A 534 -3.059 12.720 -6.505 1.00 0.00 C ATOM 45 C ASN A 534 -3.440 11.498 -5.668 1.00 0.00 C ATOM 46 O ASN A 534 -3.842 11.633 -4.513 1.00 0.00 O ATOM 47 CB ASN A 534 -1.553 12.660 -6.771 1.00 0.00 C ATOM 48 CG ASN A 534 -1.253 12.815 -8.263 1.00 0.00 C ATOM 49 OD1 ASN A 534 -1.868 12.194 -9.114 1.00 0.00 O ATOM 50 ND2 ASN A 534 -0.275 13.675 -8.531 1.00 0.00 N ATOM 0 H ASN A 534 -2.664 14.320 -5.211 1.00 0.00 H new ATOM 0 HA ASN A 534 -3.593 12.727 -7.455 1.00 0.00 H new ATOM 0 HB2 ASN A 534 -1.050 13.448 -6.211 1.00 0.00 H new ATOM 0 HB3 ASN A 534 -1.154 11.711 -6.413 1.00 0.00 H new ATOM 0 HD21 ASN A 534 0.001 13.848 -9.497 1.00 0.00 H new ATOM 0 HD22 ASN A 534 0.199 14.162 -7.770 1.00 0.00 H new ATOM 57 N LYS A 535 -3.301 10.332 -6.283 1.00 0.00 N ATOM 58 CA LYS A 535 -3.626 9.087 -5.608 1.00 0.00 C ATOM 59 C LYS A 535 -2.648 7.999 -6.057 1.00 0.00 C ATOM 60 O LYS A 535 -2.220 7.980 -7.210 1.00 0.00 O ATOM 61 CB LYS A 535 -5.095 8.724 -5.833 1.00 0.00 C ATOM 62 CG LYS A 535 -6.021 9.743 -5.165 1.00 0.00 C ATOM 63 CD LYS A 535 -6.420 10.847 -6.146 1.00 0.00 C ATOM 64 CE LYS A 535 -7.917 11.150 -6.051 1.00 0.00 C ATOM 65 NZ LYS A 535 -8.244 12.384 -6.800 1.00 0.00 N ATOM 0 H LYS A 535 -2.968 10.224 -7.241 1.00 0.00 H new ATOM 0 HA LYS A 535 -3.510 9.196 -4.530 1.00 0.00 H new ATOM 0 HB2 LYS A 535 -5.304 8.684 -6.902 1.00 0.00 H new ATOM 0 HB3 LYS A 535 -5.293 7.730 -5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 535 -6.914 9.240 -4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 535 -5.522 10.182 -4.301 1.00 0.00 H new ATOM 0 HD2 LYS A 535 -5.848 11.751 -5.934 1.00 0.00 H new ATOM 0 HD3 LYS A 535 -6.171 10.543 -7.163 1.00 0.00 H new ATOM 0 HE2 LYS A 535 -8.490 10.313 -6.450 1.00 0.00 H new ATOM 0 HE3 LYS A 535 -8.205 11.264 -5.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 -8.966 12.924 -6.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 -7.387 12.964 -6.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 -8.609 12.133 -7.741 1.00 0.00 H new ATOM 78 N VAL A 536 -2.323 7.118 -5.121 1.00 0.00 N ATOM 79 CA VAL A 536 -1.404 6.030 -5.406 1.00 0.00 C ATOM 80 C VAL A 536 -2.150 4.698 -5.302 1.00 0.00 C ATOM 81 O VAL A 536 -2.710 4.375 -4.256 1.00 0.00 O ATOM 82 CB VAL A 536 -0.193 6.111 -4.474 1.00 0.00 C ATOM 83 CG1 VAL A 536 1.087 5.695 -5.201 1.00 0.00 C ATOM 84 CG2 VAL A 536 -0.054 7.512 -3.877 1.00 0.00 C ATOM 0 H VAL A 536 -2.680 7.136 -4.166 1.00 0.00 H new ATOM 0 HA VAL A 536 -1.021 6.110 -6.423 1.00 0.00 H new ATOM 0 HB VAL A 536 -0.354 5.412 -3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 536 1.932 5.762 -4.516 1.00 0.00 H new ATOM 0 HG12 VAL A 536 0.987 4.669 -5.555 1.00 0.00 H new ATOM 0 HG13 VAL A 536 1.255 6.358 -6.050 1.00 0.00 H new ATOM 0 HG21 VAL A 536 0.814 7.542 -3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 536 0.074 8.238 -4.680 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -0.951 7.755 -3.307 1.00 0.00 H new ATOM 94 N THR A 537 -2.133 3.960 -6.403 1.00 0.00 N ATOM 95 CA THR A 537 -2.801 2.670 -6.449 1.00 0.00 C ATOM 96 C THR A 537 -1.784 1.537 -6.298 1.00 0.00 C ATOM 97 O THR A 537 -0.834 1.443 -7.074 1.00 0.00 O ATOM 98 CB THR A 537 -3.601 2.599 -7.751 1.00 0.00 C ATOM 99 OG1 THR A 537 -4.706 3.471 -7.529 1.00 0.00 O ATOM 100 CG2 THR A 537 -4.245 1.228 -7.968 1.00 0.00 C ATOM 0 H THR A 537 -1.667 4.231 -7.269 1.00 0.00 H new ATOM 0 HA THR A 537 -3.495 2.554 -5.617 1.00 0.00 H new ATOM 0 HB THR A 537 -2.947 2.830 -8.592 1.00 0.00 H new ATOM 0 HG1 THR A 537 -5.276 3.486 -8.326 1.00 0.00 H new ATOM 0 HG21 THR A 537 -4.801 1.231 -8.906 1.00 0.00 H new ATOM 0 HG22 THR A 537 -3.469 0.464 -8.009 1.00 0.00 H new ATOM 0 HG23 THR A 537 -4.925 1.011 -7.144 1.00 0.00 H new ATOM 108 N VAL A 538 -2.018 0.706 -5.293 1.00 0.00 N ATOM 109 CA VAL A 538 -1.134 -0.417 -5.029 1.00 0.00 C ATOM 110 C VAL A 538 -1.952 -1.709 -5.002 1.00 0.00 C ATOM 111 O VAL A 538 -2.987 -1.778 -4.340 1.00 0.00 O ATOM 112 CB VAL A 538 -0.353 -0.176 -3.736 1.00 0.00 C ATOM 113 CG1 VAL A 538 0.940 -0.994 -3.715 1.00 0.00 C ATOM 114 CG2 VAL A 538 -0.062 1.313 -3.540 1.00 0.00 C ATOM 0 H VAL A 538 -2.807 0.788 -4.652 1.00 0.00 H new ATOM 0 HA VAL A 538 -0.395 -0.517 -5.824 1.00 0.00 H new ATOM 0 HB VAL A 538 -0.974 -0.509 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 538 1.476 -0.804 -2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 538 0.700 -2.055 -3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 538 1.566 -0.707 -4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 538 0.494 1.456 -2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 538 0.529 1.682 -4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 538 -1.001 1.864 -3.488 1.00 0.00 H new ATOM 124 N TYR A 539 -1.458 -2.701 -5.728 1.00 0.00 N ATOM 125 CA TYR A 539 -2.131 -3.987 -5.795 1.00 0.00 C ATOM 126 C TYR A 539 -1.367 -5.047 -4.999 1.00 0.00 C ATOM 127 O TYR A 539 -0.213 -5.346 -5.303 1.00 0.00 O ATOM 128 CB TYR A 539 -2.138 -4.383 -7.272 1.00 0.00 C ATOM 129 CG TYR A 539 -3.459 -4.095 -7.988 1.00 0.00 C ATOM 130 CD1 TYR A 539 -3.957 -2.808 -8.025 1.00 0.00 C ATOM 131 CD2 TYR A 539 -4.153 -5.121 -8.595 1.00 0.00 C ATOM 132 CE1 TYR A 539 -5.201 -2.537 -8.698 1.00 0.00 C ATOM 133 CE2 TYR A 539 -5.397 -4.850 -9.268 1.00 0.00 C ATOM 134 CZ TYR A 539 -5.860 -3.571 -9.286 1.00 0.00 C ATOM 135 OH TYR A 539 -7.034 -3.315 -9.922 1.00 0.00 O ATOM 0 H TYR A 539 -0.599 -2.640 -6.275 1.00 0.00 H new ATOM 0 HA TYR A 539 -3.135 -3.917 -5.376 1.00 0.00 H new ATOM 0 HB2 TYR A 539 -1.336 -3.851 -7.784 1.00 0.00 H new ATOM 0 HB3 TYR A 539 -1.917 -5.447 -7.353 1.00 0.00 H new ATOM 0 HD1 TYR A 539 -3.414 -2.005 -7.549 1.00 0.00 H new ATOM 0 HD2 TYR A 539 -3.763 -6.128 -8.566 1.00 0.00 H new ATOM 0 HE1 TYR A 539 -5.602 -1.535 -8.735 1.00 0.00 H new ATOM 0 HE2 TYR A 539 -5.950 -5.644 -9.748 1.00 0.00 H new ATOM 0 HH TYR A 539 -6.852 -3.010 -10.835 1.00 0.00 H new ATOM 145 N TYR A 540 -2.041 -5.587 -3.994 1.00 0.00 N ATOM 146 CA TYR A 540 -1.441 -6.607 -3.152 1.00 0.00 C ATOM 147 C TYR A 540 -2.141 -7.955 -3.340 1.00 0.00 C ATOM 148 O TYR A 540 -3.365 -8.013 -3.442 1.00 0.00 O ATOM 149 CB TYR A 540 -1.644 -6.137 -1.710 1.00 0.00 C ATOM 150 CG TYR A 540 -1.262 -7.179 -0.657 1.00 0.00 C ATOM 151 CD1 TYR A 540 -2.197 -8.099 -0.226 1.00 0.00 C ATOM 152 CD2 TYR A 540 0.016 -7.199 -0.137 1.00 0.00 C ATOM 153 CE1 TYR A 540 -1.838 -9.080 0.765 1.00 0.00 C ATOM 154 CE2 TYR A 540 0.375 -8.179 0.855 1.00 0.00 C ATOM 155 CZ TYR A 540 -0.570 -9.072 1.257 1.00 0.00 C ATOM 156 OH TYR A 540 -0.231 -9.998 2.194 1.00 0.00 O ATOM 0 H TYR A 540 -2.998 -5.337 -3.744 1.00 0.00 H new ATOM 0 HA TYR A 540 -0.389 -6.742 -3.403 1.00 0.00 H new ATOM 0 HB2 TYR A 540 -1.053 -5.236 -1.546 1.00 0.00 H new ATOM 0 HB3 TYR A 540 -2.690 -5.862 -1.572 1.00 0.00 H new ATOM 0 HD1 TYR A 540 -3.198 -8.083 -0.632 1.00 0.00 H new ATOM 0 HD2 TYR A 540 0.747 -6.479 -0.474 1.00 0.00 H new ATOM 0 HE1 TYR A 540 -2.559 -9.806 1.110 1.00 0.00 H new ATOM 0 HE2 TYR A 540 1.372 -8.205 1.271 1.00 0.00 H new ATOM 0 HH TYR A 540 0.706 -9.873 2.453 1.00 0.00 H new ATOM 166 N LYS A 541 -1.334 -9.004 -3.379 1.00 0.00 N ATOM 167 CA LYS A 541 -1.860 -10.348 -3.552 1.00 0.00 C ATOM 168 C LYS A 541 -2.236 -10.924 -2.186 1.00 0.00 C ATOM 169 O LYS A 541 -1.367 -11.168 -1.351 1.00 0.00 O ATOM 170 CB LYS A 541 -0.871 -11.214 -4.334 1.00 0.00 C ATOM 171 CG LYS A 541 -1.512 -12.540 -4.748 1.00 0.00 C ATOM 172 CD LYS A 541 -0.445 -13.571 -5.123 1.00 0.00 C ATOM 173 CE LYS A 541 -0.341 -14.665 -4.059 1.00 0.00 C ATOM 174 NZ LYS A 541 -1.264 -15.780 -4.370 1.00 0.00 N ATOM 0 H LYS A 541 -0.319 -8.951 -3.294 1.00 0.00 H new ATOM 0 HA LYS A 541 -2.771 -10.326 -4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -0.533 -10.677 -5.220 1.00 0.00 H new ATOM 0 HB3 LYS A 541 0.011 -11.407 -3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -2.122 -12.924 -3.931 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -2.179 -12.377 -5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 541 -0.689 -14.018 -6.087 1.00 0.00 H new ATOM 0 HD3 LYS A 541 0.520 -13.076 -5.236 1.00 0.00 H new ATOM 0 HE2 LYS A 541 0.683 -15.036 -4.009 1.00 0.00 H new ATOM 0 HE3 LYS A 541 -0.578 -14.251 -3.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 -1.181 -16.514 -3.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 -2.241 -15.425 -4.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 -1.019 -16.185 -5.296 1.00 0.00 H new ATOM 187 N LYS A 542 -3.533 -11.124 -2.000 1.00 0.00 N ATOM 188 CA LYS A 542 -4.035 -11.667 -0.749 1.00 0.00 C ATOM 189 C LYS A 542 -3.900 -13.190 -0.769 1.00 0.00 C ATOM 190 O LYS A 542 -4.161 -13.827 -1.788 1.00 0.00 O ATOM 191 CB LYS A 542 -5.461 -11.179 -0.487 1.00 0.00 C ATOM 192 CG LYS A 542 -6.270 -12.233 0.271 1.00 0.00 C ATOM 193 CD LYS A 542 -7.331 -11.577 1.157 1.00 0.00 C ATOM 194 CE LYS A 542 -7.981 -10.388 0.446 1.00 0.00 C ATOM 195 NZ LYS A 542 -9.399 -10.255 0.850 1.00 0.00 N ATOM 0 H LYS A 542 -4.251 -10.920 -2.695 1.00 0.00 H new ATOM 0 HA LYS A 542 -3.440 -11.305 0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 542 -5.433 -10.254 0.089 1.00 0.00 H new ATOM 0 HB3 LYS A 542 -5.951 -10.951 -1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 542 -6.750 -12.908 -0.438 1.00 0.00 H new ATOM 0 HG3 LYS A 542 -5.602 -12.838 0.884 1.00 0.00 H new ATOM 0 HD2 LYS A 542 -8.094 -12.310 1.420 1.00 0.00 H new ATOM 0 HD3 LYS A 542 -6.876 -11.243 2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 542 -7.441 -9.473 0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 542 -7.915 -10.522 -0.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 542 -9.825 -9.444 0.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 542 -9.915 -11.122 0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 542 -9.455 -10.106 1.878 1.00 0.00 H new ATOM 208 N GLY A 543 -3.491 -13.731 0.370 1.00 0.00 N ATOM 209 CA GLY A 543 -3.203 -12.905 1.530 1.00 0.00 C ATOM 210 C GLY A 543 -3.306 -13.718 2.821 1.00 0.00 C ATOM 211 O GLY A 543 -2.744 -14.808 2.920 1.00 0.00 O ATOM 0 H GLY A 543 -3.352 -14.731 0.514 1.00 0.00 H new ATOM 0 HA2 GLY A 543 -2.202 -12.483 1.441 1.00 0.00 H new ATOM 0 HA3 GLY A 543 -3.900 -12.068 1.567 1.00 0.00 H new ATOM 215 N PHE A 544 -4.029 -13.157 3.780 1.00 0.00 N ATOM 216 CA PHE A 544 -4.213 -13.817 5.062 1.00 0.00 C ATOM 217 C PHE A 544 -5.698 -14.028 5.361 1.00 0.00 C ATOM 218 O PHE A 544 -6.215 -15.134 5.209 1.00 0.00 O ATOM 219 CB PHE A 544 -3.615 -12.896 6.128 1.00 0.00 C ATOM 220 CG PHE A 544 -2.136 -13.158 6.417 1.00 0.00 C ATOM 221 CD1 PHE A 544 -1.180 -12.607 5.621 1.00 0.00 C ATOM 222 CD2 PHE A 544 -1.776 -13.940 7.469 1.00 0.00 C ATOM 223 CE1 PHE A 544 0.193 -12.849 5.890 1.00 0.00 C ATOM 224 CE2 PHE A 544 -0.403 -14.183 7.738 1.00 0.00 C ATOM 225 CZ PHE A 544 0.553 -13.632 6.942 1.00 0.00 C ATOM 0 H PHE A 544 -4.494 -12.253 3.695 1.00 0.00 H new ATOM 0 HA PHE A 544 -3.730 -14.794 5.051 1.00 0.00 H new ATOM 0 HB2 PHE A 544 -3.734 -11.861 5.808 1.00 0.00 H new ATOM 0 HB3 PHE A 544 -4.181 -13.011 7.052 1.00 0.00 H new ATOM 0 HD1 PHE A 544 -1.465 -11.986 4.785 1.00 0.00 H new ATOM 0 HD2 PHE A 544 -2.535 -14.377 8.101 1.00 0.00 H new ATOM 0 HE1 PHE A 544 0.952 -12.411 5.259 1.00 0.00 H new ATOM 0 HE2 PHE A 544 -0.118 -14.805 8.574 1.00 0.00 H new ATOM 0 HZ PHE A 544 1.597 -13.816 7.146 1.00 0.00 H new ATOM 235 N ASN A 545 -6.343 -12.949 5.781 1.00 0.00 N ATOM 236 CA ASN A 545 -7.759 -13.003 6.104 1.00 0.00 C ATOM 237 C ASN A 545 -8.363 -11.604 5.960 1.00 0.00 C ATOM 238 O ASN A 545 -9.376 -11.428 5.285 1.00 0.00 O ATOM 239 CB ASN A 545 -7.979 -13.467 7.545 1.00 0.00 C ATOM 240 CG ASN A 545 -7.085 -12.691 8.514 1.00 0.00 C ATOM 241 OD1 ASN A 545 -7.466 -11.677 9.075 1.00 0.00 O ATOM 242 ND2 ASN A 545 -5.876 -13.222 8.678 1.00 0.00 N ATOM 0 H ASN A 545 -5.911 -12.033 5.905 1.00 0.00 H new ATOM 0 HA ASN A 545 -8.234 -13.709 5.422 1.00 0.00 H new ATOM 0 HB2 ASN A 545 -9.025 -13.329 7.820 1.00 0.00 H new ATOM 0 HB3 ASN A 545 -7.767 -14.533 7.624 1.00 0.00 H new ATOM 0 HD21 ASN A 545 -5.204 -12.778 9.304 1.00 0.00 H new ATOM 0 HD22 ASN A 545 -5.621 -14.073 8.178 1.00 0.00 H new ATOM 249 N SER A 546 -7.716 -10.646 6.607 1.00 0.00 N ATOM 250 CA SER A 546 -8.177 -9.269 6.560 1.00 0.00 C ATOM 251 C SER A 546 -7.125 -8.343 7.174 1.00 0.00 C ATOM 252 O SER A 546 -7.381 -7.691 8.185 1.00 0.00 O ATOM 253 CB SER A 546 -9.513 -9.110 7.288 1.00 0.00 C ATOM 254 OG SER A 546 -10.623 -9.333 6.423 1.00 0.00 O ATOM 0 H SER A 546 -6.876 -10.796 7.166 1.00 0.00 H new ATOM 0 HA SER A 546 -8.328 -8.995 5.516 1.00 0.00 H new ATOM 0 HB2 SER A 546 -9.557 -9.811 8.122 1.00 0.00 H new ATOM 0 HB3 SER A 546 -9.578 -8.107 7.710 1.00 0.00 H new ATOM 0 HG SER A 546 -10.430 -10.090 5.831 1.00 0.00 H new ATOM 260 N PRO A 547 -5.933 -8.315 6.521 1.00 0.00 N ATOM 261 CA PRO A 547 -4.840 -7.481 6.991 1.00 0.00 C ATOM 262 C PRO A 547 -5.095 -6.008 6.663 1.00 0.00 C ATOM 263 O PRO A 547 -5.883 -5.694 5.771 1.00 0.00 O ATOM 264 CB PRO A 547 -3.600 -8.035 6.311 1.00 0.00 C ATOM 265 CG PRO A 547 -4.101 -8.856 5.134 1.00 0.00 C ATOM 266 CD PRO A 547 -5.594 -9.075 5.320 1.00 0.00 C ATOM 0 HA PRO A 547 -4.727 -7.507 8.075 1.00 0.00 H new ATOM 0 HB2 PRO A 547 -2.946 -7.230 5.975 1.00 0.00 H new ATOM 0 HB3 PRO A 547 -3.020 -8.651 6.998 1.00 0.00 H new ATOM 0 HG2 PRO A 547 -3.905 -8.337 4.196 1.00 0.00 H new ATOM 0 HG3 PRO A 547 -3.578 -9.811 5.085 1.00 0.00 H new ATOM 0 HD2 PRO A 547 -6.157 -8.722 4.456 1.00 0.00 H new ATOM 0 HD3 PRO A 547 -5.827 -10.133 5.442 1.00 0.00 H new ATOM 274 N TYR A 548 -4.413 -5.144 7.400 1.00 0.00 N ATOM 275 CA TYR A 548 -4.555 -3.712 7.198 1.00 0.00 C ATOM 276 C TYR A 548 -3.224 -3.082 6.783 1.00 0.00 C ATOM 277 O TYR A 548 -2.160 -3.536 7.202 1.00 0.00 O ATOM 278 CB TYR A 548 -4.979 -3.135 8.550 1.00 0.00 C ATOM 279 CG TYR A 548 -6.473 -2.826 8.653 1.00 0.00 C ATOM 280 CD1 TYR A 548 -6.961 -1.617 8.199 1.00 0.00 C ATOM 281 CD2 TYR A 548 -7.334 -3.755 9.201 1.00 0.00 C ATOM 282 CE1 TYR A 548 -8.368 -1.326 8.297 1.00 0.00 C ATOM 283 CE2 TYR A 548 -8.741 -3.464 9.298 1.00 0.00 C ATOM 284 CZ TYR A 548 -9.189 -2.264 8.841 1.00 0.00 C ATOM 285 OH TYR A 548 -10.517 -1.989 8.933 1.00 0.00 O ATOM 0 H TYR A 548 -3.760 -5.408 8.138 1.00 0.00 H new ATOM 0 HA TYR A 548 -5.279 -3.506 6.410 1.00 0.00 H new ATOM 0 HB2 TYR A 548 -4.709 -3.841 9.335 1.00 0.00 H new ATOM 0 HB3 TYR A 548 -4.416 -2.221 8.736 1.00 0.00 H new ATOM 0 HD1 TYR A 548 -6.288 -0.889 7.770 1.00 0.00 H new ATOM 0 HD2 TYR A 548 -6.952 -4.700 9.557 1.00 0.00 H new ATOM 0 HE1 TYR A 548 -8.763 -0.384 7.946 1.00 0.00 H new ATOM 0 HE2 TYR A 548 -9.425 -4.183 9.724 1.00 0.00 H new ATOM 0 HH TYR A 548 -10.981 -2.750 9.341 1.00 0.00 H new ATOM 295 N ILE A 549 -3.326 -2.046 5.964 1.00 0.00 N ATOM 296 CA ILE A 549 -2.143 -1.349 5.487 1.00 0.00 C ATOM 297 C ILE A 549 -2.173 0.097 5.986 1.00 0.00 C ATOM 298 O ILE A 549 -3.238 0.708 6.067 1.00 0.00 O ATOM 299 CB ILE A 549 -2.024 -1.472 3.967 1.00 0.00 C ATOM 300 CG1 ILE A 549 -1.310 -0.257 3.372 1.00 0.00 C ATOM 301 CG2 ILE A 549 -3.395 -1.702 3.327 1.00 0.00 C ATOM 302 CD1 ILE A 549 -1.142 -0.406 1.859 1.00 0.00 C ATOM 0 H ILE A 549 -4.210 -1.672 5.618 1.00 0.00 H new ATOM 0 HA ILE A 549 -1.241 -1.809 5.892 1.00 0.00 H new ATOM 0 HB ILE A 549 -1.413 -2.346 3.742 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -1.879 0.647 3.591 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -0.333 -0.140 3.840 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -3.282 -1.786 2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -3.830 -2.621 3.719 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -4.050 -0.863 3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -0.632 0.471 1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -0.552 -1.297 1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -2.122 -0.498 1.391 1.00 0.00 H new ATOM 314 N HIS A 550 -0.991 0.604 6.307 1.00 0.00 N ATOM 315 CA HIS A 550 -0.869 1.967 6.796 1.00 0.00 C ATOM 316 C HIS A 550 0.214 2.701 6.003 1.00 0.00 C ATOM 317 O HIS A 550 1.377 2.303 6.018 1.00 0.00 O ATOM 318 CB HIS A 550 -0.612 1.982 8.304 1.00 0.00 C ATOM 319 CG HIS A 550 -0.803 3.335 8.946 1.00 0.00 C ATOM 320 ND1 HIS A 550 -0.667 3.734 10.243 1.00 0.00 N flip ATOM 321 CD2 HIS A 550 -1.180 4.458 8.230 1.00 0.00 C flip ATOM 322 CE1 HIS A 550 -0.944 5.030 10.316 1.00 0.00 C flip ATOM 323 NE2 HIS A 550 -1.263 5.481 9.068 1.00 0.00 N flip ATOM 0 H HIS A 550 -0.110 0.095 6.238 1.00 0.00 H new ATOM 0 HA HIS A 550 -1.808 2.499 6.641 1.00 0.00 H new ATOM 0 HB2 HIS A 550 -1.280 1.266 8.783 1.00 0.00 H new ATOM 0 HB3 HIS A 550 0.407 1.643 8.492 1.00 0.00 H new ATOM 0 HD1 HIS A 550 -0.398 3.137 11.025 1.00 0.00 H new ATOM 0 HD2 HIS A 550 -1.374 4.494 7.168 1.00 0.00 H new ATOM 0 HE1 HIS A 550 -0.921 5.629 11.215 1.00 0.00 H new ATOM 331 N TYR A 551 -0.208 3.760 5.328 1.00 0.00 N ATOM 332 CA TYR A 551 0.711 4.554 4.530 1.00 0.00 C ATOM 333 C TYR A 551 0.591 6.040 4.872 1.00 0.00 C ATOM 334 O TYR A 551 -0.410 6.471 5.442 1.00 0.00 O ATOM 335 CB TYR A 551 0.294 4.343 3.072 1.00 0.00 C ATOM 336 CG TYR A 551 -1.185 3.997 2.892 1.00 0.00 C ATOM 337 CD1 TYR A 551 -2.144 4.982 3.019 1.00 0.00 C ATOM 338 CD2 TYR A 551 -1.561 2.701 2.602 1.00 0.00 C ATOM 339 CE1 TYR A 551 -3.537 4.657 2.849 1.00 0.00 C ATOM 340 CE2 TYR A 551 -2.954 2.376 2.432 1.00 0.00 C ATOM 341 CZ TYR A 551 -3.873 3.370 2.564 1.00 0.00 C ATOM 342 OH TYR A 551 -5.188 3.063 2.404 1.00 0.00 O ATOM 0 H TYR A 551 -1.174 4.087 5.317 1.00 0.00 H new ATOM 0 HA TYR A 551 1.742 4.253 4.718 1.00 0.00 H new ATOM 0 HB2 TYR A 551 0.516 5.248 2.507 1.00 0.00 H new ATOM 0 HB3 TYR A 551 0.898 3.543 2.644 1.00 0.00 H new ATOM 0 HD1 TYR A 551 -1.850 5.996 3.246 1.00 0.00 H new ATOM 0 HD2 TYR A 551 -0.811 1.931 2.503 1.00 0.00 H new ATOM 0 HE1 TYR A 551 -4.297 5.418 2.946 1.00 0.00 H new ATOM 0 HE2 TYR A 551 -3.262 1.366 2.205 1.00 0.00 H new ATOM 0 HH TYR A 551 -5.270 2.224 1.905 1.00 0.00 H new ATOM 352 N ARG A 552 1.627 6.783 4.509 1.00 0.00 N ATOM 353 CA ARG A 552 1.650 8.212 4.770 1.00 0.00 C ATOM 354 C ARG A 552 2.275 8.958 3.589 1.00 0.00 C ATOM 355 O ARG A 552 2.778 8.336 2.655 1.00 0.00 O ATOM 356 CB ARG A 552 2.443 8.527 6.040 1.00 0.00 C ATOM 357 CG ARG A 552 3.855 9.008 5.700 1.00 0.00 C ATOM 358 CD ARG A 552 4.755 8.988 6.937 1.00 0.00 C ATOM 359 NE ARG A 552 5.938 9.849 6.717 1.00 0.00 N ATOM 360 CZ ARG A 552 7.099 9.418 6.180 1.00 0.00 C ATOM 361 NH1 ARG A 552 7.243 8.130 5.803 1.00 0.00 N ATOM 362 NH2 ARG A 552 8.092 10.275 6.030 1.00 0.00 N ATOM 0 H ARG A 552 2.456 6.422 4.037 1.00 0.00 H new ATOM 0 HA ARG A 552 0.620 8.540 4.907 1.00 0.00 H new ATOM 0 HB2 ARG A 552 1.923 9.292 6.617 1.00 0.00 H new ATOM 0 HB3 ARG A 552 2.499 7.638 6.668 1.00 0.00 H new ATOM 0 HG2 ARG A 552 4.283 8.372 4.925 1.00 0.00 H new ATOM 0 HG3 ARG A 552 3.811 10.019 5.295 1.00 0.00 H new ATOM 0 HD2 ARG A 552 4.199 9.336 7.807 1.00 0.00 H new ATOM 0 HD3 ARG A 552 5.073 7.967 7.149 1.00 0.00 H new ATOM 0 HE ARG A 552 5.872 10.830 6.988 1.00 0.00 H new ATOM 0 HH11 ARG A 552 6.471 7.474 5.923 1.00 0.00 H new ATOM 0 HH12 ARG A 552 8.124 7.813 5.398 1.00 0.00 H new ATOM 0 HH21 ARG A 552 7.975 11.246 6.318 1.00 0.00 H new ATOM 0 HH22 ARG A 552 8.976 9.966 5.626 1.00 0.00 H new ATOM 375 N PRO A 553 2.221 10.314 3.672 1.00 0.00 N ATOM 376 CA PRO A 553 2.776 11.151 2.622 1.00 0.00 C ATOM 377 C PRO A 553 4.305 11.173 2.689 1.00 0.00 C ATOM 378 O PRO A 553 4.889 10.852 3.722 1.00 0.00 O ATOM 379 CB PRO A 553 2.152 12.520 2.839 1.00 0.00 C ATOM 380 CG PRO A 553 1.637 12.521 4.269 1.00 0.00 C ATOM 381 CD PRO A 553 1.633 11.084 4.764 1.00 0.00 C ATOM 0 HA PRO A 553 2.549 10.779 1.623 1.00 0.00 H new ATOM 0 HB2 PRO A 553 2.885 13.312 2.687 1.00 0.00 H new ATOM 0 HB3 PRO A 553 1.342 12.696 2.132 1.00 0.00 H new ATOM 0 HG2 PRO A 553 2.271 13.141 4.903 1.00 0.00 H new ATOM 0 HG3 PRO A 553 0.633 12.943 4.313 1.00 0.00 H new ATOM 0 HD2 PRO A 553 2.214 10.979 5.680 1.00 0.00 H new ATOM 0 HD3 PRO A 553 0.621 10.745 4.988 1.00 0.00 H new ATOM 389 N ALA A 554 4.908 11.555 1.573 1.00 0.00 N ATOM 390 CA ALA A 554 6.357 11.623 1.492 1.00 0.00 C ATOM 391 C ALA A 554 6.937 11.761 2.901 1.00 0.00 C ATOM 392 O ALA A 554 7.787 10.969 3.307 1.00 0.00 O ATOM 393 CB ALA A 554 6.764 12.781 0.578 1.00 0.00 C ATOM 0 H ALA A 554 4.420 11.821 0.718 1.00 0.00 H new ATOM 0 HA ALA A 554 6.760 10.708 1.058 1.00 0.00 H new ATOM 0 HB1 ALA A 554 7.851 12.832 0.517 1.00 0.00 H new ATOM 0 HB2 ALA A 554 6.352 12.620 -0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 554 6.379 13.717 0.983 1.00 0.00 H new ATOM 399 N GLY A 555 6.455 12.772 3.608 1.00 0.00 N ATOM 400 CA GLY A 555 6.914 13.024 4.963 1.00 0.00 C ATOM 401 C GLY A 555 6.108 14.149 5.616 1.00 0.00 C ATOM 402 O GLY A 555 6.562 15.291 5.671 1.00 0.00 O ATOM 0 H GLY A 555 5.751 13.427 3.268 1.00 0.00 H new ATOM 0 HA2 GLY A 555 6.822 12.114 5.557 1.00 0.00 H new ATOM 0 HA3 GLY A 555 7.971 13.290 4.949 1.00 0.00 H new ATOM 406 N GLY A 556 4.926 13.787 6.092 1.00 0.00 N ATOM 407 CA GLY A 556 4.053 14.752 6.739 1.00 0.00 C ATOM 408 C GLY A 556 3.402 14.152 7.987 1.00 0.00 C ATOM 409 O GLY A 556 3.993 14.164 9.066 1.00 0.00 O ATOM 0 H GLY A 556 4.552 12.839 6.043 1.00 0.00 H new ATOM 0 HA2 GLY A 556 4.625 15.638 7.013 1.00 0.00 H new ATOM 0 HA3 GLY A 556 3.281 15.074 6.041 1.00 0.00 H new ATOM 413 N SER A 557 2.194 13.643 7.799 1.00 0.00 N ATOM 414 CA SER A 557 1.456 13.040 8.896 1.00 0.00 C ATOM 415 C SER A 557 1.097 11.593 8.553 1.00 0.00 C ATOM 416 O SER A 557 0.851 11.269 7.392 1.00 0.00 O ATOM 417 CB SER A 557 0.191 13.839 9.215 1.00 0.00 C ATOM 418 OG SER A 557 -0.012 14.907 8.293 1.00 0.00 O ATOM 0 H SER A 557 1.707 13.636 6.903 1.00 0.00 H new ATOM 0 HA SER A 557 2.092 13.050 9.781 1.00 0.00 H new ATOM 0 HB2 SER A 557 -0.672 13.174 9.196 1.00 0.00 H new ATOM 0 HB3 SER A 557 0.261 14.241 10.226 1.00 0.00 H new ATOM 0 HG SER A 557 -0.830 15.392 8.529 1.00 0.00 H new ATOM 424 N TRP A 558 1.079 10.761 9.584 1.00 0.00 N ATOM 425 CA TRP A 558 0.754 9.356 9.406 1.00 0.00 C ATOM 426 C TRP A 558 -0.767 9.209 9.480 1.00 0.00 C ATOM 427 O TRP A 558 -1.379 9.552 10.490 1.00 0.00 O ATOM 428 CB TRP A 558 1.489 8.489 10.430 1.00 0.00 C ATOM 429 CG TRP A 558 2.828 7.940 9.935 1.00 0.00 C ATOM 430 CD1 TRP A 558 4.049 8.465 10.106 1.00 0.00 C ATOM 431 CD2 TRP A 558 3.033 6.730 9.176 1.00 0.00 C ATOM 432 NE1 TRP A 558 5.022 7.685 9.515 1.00 0.00 N ATOM 433 CE2 TRP A 558 4.385 6.597 8.932 1.00 0.00 C ATOM 434 CE3 TRP A 558 2.108 5.779 8.712 1.00 0.00 C ATOM 435 CZ2 TRP A 558 4.933 5.525 8.216 1.00 0.00 C ATOM 436 CZ3 TRP A 558 2.671 4.714 7.998 1.00 0.00 C ATOM 437 CH2 TRP A 558 4.029 4.566 7.743 1.00 0.00 C ATOM 0 H TRP A 558 1.284 11.033 10.545 1.00 0.00 H new ATOM 0 HA TRP A 558 1.091 9.003 8.431 1.00 0.00 H new ATOM 0 HB2 TRP A 558 1.660 9.077 11.332 1.00 0.00 H new ATOM 0 HB3 TRP A 558 0.847 7.654 10.711 1.00 0.00 H new ATOM 0 HD1 TRP A 558 4.247 9.383 10.639 1.00 0.00 H new ATOM 0 HE1 TRP A 558 6.025 7.873 9.508 1.00 0.00 H new ATOM 0 HE3 TRP A 558 1.046 5.863 8.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 558 5.995 5.443 8.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 558 2.003 3.955 7.619 1.00 0.00 H new ATOM 0 HH2 TRP A 558 4.386 3.715 7.182 1.00 0.00 H new ATOM 448 N THR A 559 -1.334 8.699 8.396 1.00 0.00 N ATOM 449 CA THR A 559 -2.772 8.503 8.325 1.00 0.00 C ATOM 450 C THR A 559 -3.295 7.913 9.637 1.00 0.00 C ATOM 451 O THR A 559 -2.515 7.454 10.470 1.00 0.00 O ATOM 452 CB THR A 559 -3.070 7.630 7.105 1.00 0.00 C ATOM 453 OG1 THR A 559 -2.227 8.158 6.085 1.00 0.00 O ATOM 454 CG2 THR A 559 -4.486 7.843 6.565 1.00 0.00 C ATOM 0 H THR A 559 -0.823 8.416 7.560 1.00 0.00 H new ATOM 0 HA THR A 559 -3.295 9.451 8.200 1.00 0.00 H new ATOM 0 HB THR A 559 -2.935 6.581 7.368 1.00 0.00 H new ATOM 0 HG1 THR A 559 -1.724 7.429 5.667 1.00 0.00 H new ATOM 0 HG21 THR A 559 -4.646 7.200 5.700 1.00 0.00 H new ATOM 0 HG22 THR A 559 -5.212 7.596 7.340 1.00 0.00 H new ATOM 0 HG23 THR A 559 -4.610 8.885 6.270 1.00 0.00 H new ATOM 462 N ALA A 560 -4.611 7.945 9.779 1.00 0.00 N ATOM 463 CA ALA A 560 -5.248 7.420 10.975 1.00 0.00 C ATOM 464 C ALA A 560 -5.029 5.907 11.041 1.00 0.00 C ATOM 465 O ALA A 560 -5.628 5.155 10.273 1.00 0.00 O ATOM 466 CB ALA A 560 -6.731 7.794 10.971 1.00 0.00 C ATOM 0 H ALA A 560 -5.254 8.326 9.086 1.00 0.00 H new ATOM 0 HA ALA A 560 -4.804 7.858 11.869 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -7.208 7.400 11.868 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -6.833 8.879 10.953 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -7.211 7.370 10.089 1.00 0.00 H new ATOM 472 N ALA A 561 -4.169 5.505 11.966 1.00 0.00 N ATOM 473 CA ALA A 561 -3.863 4.096 12.142 1.00 0.00 C ATOM 474 C ALA A 561 -5.028 3.412 12.861 1.00 0.00 C ATOM 475 O ALA A 561 -5.540 3.929 13.853 1.00 0.00 O ATOM 476 CB ALA A 561 -2.543 3.951 12.902 1.00 0.00 C ATOM 0 H ALA A 561 -3.675 6.131 12.601 1.00 0.00 H new ATOM 0 HA ALA A 561 -3.738 3.607 11.176 1.00 0.00 H new ATOM 0 HB1 ALA A 561 -2.313 2.894 13.034 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -1.743 4.428 12.336 1.00 0.00 H new ATOM 0 HB3 ALA A 561 -2.631 4.428 13.878 1.00 0.00 H new ATOM 482 N PRO A 562 -5.424 2.229 12.318 1.00 0.00 N ATOM 483 CA PRO A 562 -4.764 1.688 11.142 1.00 0.00 C ATOM 484 C PRO A 562 -5.183 2.446 9.881 1.00 0.00 C ATOM 485 O PRO A 562 -6.310 2.930 9.788 1.00 0.00 O ATOM 486 CB PRO A 562 -5.158 0.220 11.111 1.00 0.00 C ATOM 487 CG PRO A 562 -6.388 0.100 11.996 1.00 0.00 C ATOM 488 CD PRO A 562 -6.505 1.379 12.808 1.00 0.00 C ATOM 0 HA PRO A 562 -3.680 1.795 11.181 1.00 0.00 H new ATOM 0 HB2 PRO A 562 -5.376 -0.105 10.093 1.00 0.00 H new ATOM 0 HB3 PRO A 562 -4.348 -0.410 11.480 1.00 0.00 H new ATOM 0 HG2 PRO A 562 -7.281 -0.050 11.390 1.00 0.00 H new ATOM 0 HG3 PRO A 562 -6.301 -0.764 12.655 1.00 0.00 H new ATOM 0 HD2 PRO A 562 -7.477 1.852 12.664 1.00 0.00 H new ATOM 0 HD3 PRO A 562 -6.401 1.182 13.875 1.00 0.00 H new ATOM 496 N GLY A 563 -4.252 2.526 8.941 1.00 0.00 N ATOM 497 CA GLY A 563 -4.510 3.217 7.689 1.00 0.00 C ATOM 498 C GLY A 563 -5.871 2.818 7.113 1.00 0.00 C ATOM 499 O GLY A 563 -6.909 3.268 7.595 1.00 0.00 O ATOM 0 H GLY A 563 -3.318 2.124 9.022 1.00 0.00 H new ATOM 0 HA2 GLY A 563 -4.482 4.294 7.852 1.00 0.00 H new ATOM 0 HA3 GLY A 563 -3.724 2.982 6.971 1.00 0.00 H new ATOM 503 N VAL A 564 -5.821 1.979 6.089 1.00 0.00 N ATOM 504 CA VAL A 564 -7.037 1.515 5.442 1.00 0.00 C ATOM 505 C VAL A 564 -6.934 0.008 5.195 1.00 0.00 C ATOM 506 O VAL A 564 -5.836 -0.543 5.145 1.00 0.00 O ATOM 507 CB VAL A 564 -7.287 2.315 4.163 1.00 0.00 C ATOM 508 CG1 VAL A 564 -8.772 2.307 3.793 1.00 0.00 C ATOM 509 CG2 VAL A 564 -6.763 3.746 4.300 1.00 0.00 C ATOM 0 H VAL A 564 -4.958 1.608 5.691 1.00 0.00 H new ATOM 0 HA VAL A 564 -7.900 1.681 6.086 1.00 0.00 H new ATOM 0 HB VAL A 564 -6.738 1.834 3.354 1.00 0.00 H new ATOM 0 HG11 VAL A 564 -8.923 2.883 2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 564 -9.102 1.280 3.633 1.00 0.00 H new ATOM 0 HG13 VAL A 564 -9.351 2.752 4.602 1.00 0.00 H new ATOM 0 HG21 VAL A 564 -6.953 4.293 3.377 1.00 0.00 H new ATOM 0 HG22 VAL A 564 -7.271 4.242 5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 564 -5.691 3.724 4.494 1.00 0.00 H new ATOM 519 N LYS A 565 -8.094 -0.615 5.047 1.00 0.00 N ATOM 520 CA LYS A 565 -8.149 -2.047 4.805 1.00 0.00 C ATOM 521 C LYS A 565 -8.122 -2.307 3.298 1.00 0.00 C ATOM 522 O LYS A 565 -9.025 -1.889 2.576 1.00 0.00 O ATOM 523 CB LYS A 565 -9.356 -2.664 5.514 1.00 0.00 C ATOM 524 CG LYS A 565 -9.104 -4.136 5.845 1.00 0.00 C ATOM 525 CD LYS A 565 -9.869 -5.052 4.888 1.00 0.00 C ATOM 526 CE LYS A 565 -11.329 -5.201 5.322 1.00 0.00 C ATOM 527 NZ LYS A 565 -12.224 -4.485 4.386 1.00 0.00 N ATOM 0 H LYS A 565 -9.003 -0.154 5.090 1.00 0.00 H new ATOM 0 HA LYS A 565 -7.274 -2.539 5.229 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -9.565 -2.112 6.430 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -10.239 -2.576 4.880 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -8.037 -4.349 5.783 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -9.410 -4.339 6.871 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -9.826 -4.646 3.877 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -9.393 -6.032 4.858 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -11.598 -6.257 5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -11.457 -4.807 6.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -13.200 -4.821 4.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -12.182 -3.464 4.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -11.920 -4.666 3.408 1.00 0.00 H new ATOM 540 N MET A 566 -7.076 -2.997 2.868 1.00 0.00 N ATOM 541 CA MET A 566 -6.919 -3.318 1.459 1.00 0.00 C ATOM 542 C MET A 566 -8.273 -3.612 0.810 1.00 0.00 C ATOM 543 O MET A 566 -9.035 -4.442 1.304 1.00 0.00 O ATOM 544 CB MET A 566 -6.007 -4.538 1.312 1.00 0.00 C ATOM 545 CG MET A 566 -4.573 -4.204 1.731 1.00 0.00 C ATOM 546 SD MET A 566 -3.417 -5.170 0.774 1.00 0.00 S ATOM 547 CE MET A 566 -2.613 -3.868 -0.146 1.00 0.00 C ATOM 0 H MET A 566 -6.329 -3.343 3.470 1.00 0.00 H new ATOM 0 HA MET A 566 -6.475 -2.458 0.957 1.00 0.00 H new ATOM 0 HB2 MET A 566 -6.387 -5.356 1.923 1.00 0.00 H new ATOM 0 HB3 MET A 566 -6.017 -4.881 0.278 1.00 0.00 H new ATOM 0 HG2 MET A 566 -4.381 -3.141 1.584 1.00 0.00 H new ATOM 0 HG3 MET A 566 -4.439 -4.408 2.793 1.00 0.00 H new ATOM 0 HE1 MET A 566 -1.554 -4.101 -0.256 1.00 0.00 H new ATOM 0 HE2 MET A 566 -3.070 -3.783 -1.132 1.00 0.00 H new ATOM 0 HE3 MET A 566 -2.723 -2.924 0.388 1.00 0.00 H new ATOM 557 N GLN A 567 -8.531 -2.916 -0.287 1.00 0.00 N ATOM 558 CA GLN A 567 -9.779 -3.091 -1.009 1.00 0.00 C ATOM 559 C GLN A 567 -9.567 -3.995 -2.225 1.00 0.00 C ATOM 560 O GLN A 567 -8.798 -3.661 -3.125 1.00 0.00 O ATOM 561 CB GLN A 567 -10.367 -1.741 -1.425 1.00 0.00 C ATOM 562 CG GLN A 567 -11.602 -1.399 -0.589 1.00 0.00 C ATOM 563 CD GLN A 567 -12.538 -0.461 -1.353 1.00 0.00 C ATOM 564 OE1 GLN A 567 -12.349 0.743 -1.402 1.00 0.00 O ATOM 565 NE2 GLN A 567 -13.557 -1.078 -1.946 1.00 0.00 N ATOM 0 H GLN A 567 -7.896 -2.229 -0.694 1.00 0.00 H new ATOM 0 HA GLN A 567 -10.496 -3.572 -0.344 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -9.615 -0.961 -1.306 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -10.634 -1.767 -2.481 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -12.133 -2.314 -0.327 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -11.295 -0.930 0.346 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -13.657 -2.090 -1.866 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -14.238 -0.539 -2.481 1.00 0.00 H new ATOM 574 N ASP A 568 -10.262 -5.123 -2.213 1.00 0.00 N ATOM 575 CA ASP A 568 -10.159 -6.077 -3.303 1.00 0.00 C ATOM 576 C ASP A 568 -10.077 -5.321 -4.631 1.00 0.00 C ATOM 577 O ASP A 568 -10.623 -4.227 -4.761 1.00 0.00 O ATOM 578 CB ASP A 568 -11.386 -6.990 -3.354 1.00 0.00 C ATOM 579 CG ASP A 568 -11.076 -8.488 -3.390 1.00 0.00 C ATOM 580 OD1 ASP A 568 -11.485 -9.203 -4.317 1.00 0.00 O ATOM 581 OD2 ASP A 568 -10.374 -8.924 -2.399 1.00 0.00 O ATOM 0 H ASP A 568 -10.899 -5.397 -1.465 1.00 0.00 H new ATOM 0 HA ASP A 568 -9.267 -6.681 -3.139 1.00 0.00 H new ATOM 0 HB2 ASP A 568 -12.010 -6.784 -2.484 1.00 0.00 H new ATOM 0 HB3 ASP A 568 -11.974 -6.735 -4.236 1.00 0.00 H new ATOM 587 N ALA A 569 -9.392 -5.936 -5.584 1.00 0.00 N ATOM 588 CA ALA A 569 -9.232 -5.335 -6.897 1.00 0.00 C ATOM 589 C ALA A 569 -10.395 -5.762 -7.794 1.00 0.00 C ATOM 590 O ALA A 569 -11.517 -5.935 -7.321 1.00 0.00 O ATOM 591 CB ALA A 569 -7.872 -5.730 -7.477 1.00 0.00 C ATOM 0 H ALA A 569 -8.942 -6.844 -5.473 1.00 0.00 H new ATOM 0 HA ALA A 569 -9.253 -4.247 -6.826 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -7.752 -5.279 -8.462 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -7.079 -5.378 -6.817 1.00 0.00 H new ATOM 0 HB3 ALA A 569 -7.815 -6.815 -7.565 1.00 0.00 H new ATOM 597 N GLU A 570 -10.087 -5.919 -9.073 1.00 0.00 N ATOM 598 CA GLU A 570 -11.094 -6.322 -10.041 1.00 0.00 C ATOM 599 C GLU A 570 -10.620 -7.552 -10.818 1.00 0.00 C ATOM 600 O GLU A 570 -11.275 -7.982 -11.766 1.00 0.00 O ATOM 601 CB GLU A 570 -11.434 -5.171 -10.990 1.00 0.00 C ATOM 602 CG GLU A 570 -10.222 -4.784 -11.839 1.00 0.00 C ATOM 603 CD GLU A 570 -10.137 -3.266 -12.014 1.00 0.00 C ATOM 604 OE1 GLU A 570 -11.039 -2.660 -12.612 1.00 0.00 O ATOM 605 OE2 GLU A 570 -9.089 -2.716 -11.502 1.00 0.00 O ATOM 0 H GLU A 570 -9.155 -5.775 -9.462 1.00 0.00 H new ATOM 0 HA GLU A 570 -12.004 -6.585 -9.502 1.00 0.00 H new ATOM 0 HB2 GLU A 570 -12.259 -5.462 -11.640 1.00 0.00 H new ATOM 0 HB3 GLU A 570 -11.770 -4.308 -10.415 1.00 0.00 H new ATOM 0 HG2 GLU A 570 -9.311 -5.151 -11.367 1.00 0.00 H new ATOM 0 HG3 GLU A 570 -10.290 -5.263 -12.816 1.00 0.00 H new ATOM 613 N ILE A 571 -9.485 -8.083 -10.388 1.00 0.00 N ATOM 614 CA ILE A 571 -8.916 -9.255 -11.031 1.00 0.00 C ATOM 615 C ILE A 571 -9.614 -10.510 -10.505 1.00 0.00 C ATOM 616 O ILE A 571 -10.650 -10.915 -11.031 1.00 0.00 O ATOM 617 CB ILE A 571 -7.396 -9.277 -10.856 1.00 0.00 C ATOM 618 CG1 ILE A 571 -6.747 -8.071 -11.537 1.00 0.00 C ATOM 619 CG2 ILE A 571 -6.807 -10.600 -11.349 1.00 0.00 C ATOM 620 CD1 ILE A 571 -6.468 -8.360 -13.014 1.00 0.00 C ATOM 0 H ILE A 571 -8.944 -7.723 -9.602 1.00 0.00 H new ATOM 0 HA ILE A 571 -9.089 -9.221 -12.107 1.00 0.00 H new ATOM 0 HB ILE A 571 -7.174 -9.202 -9.791 1.00 0.00 H new ATOM 0 HG12 ILE A 571 -7.401 -7.204 -11.450 1.00 0.00 H new ATOM 0 HG13 ILE A 571 -5.816 -7.820 -11.030 1.00 0.00 H new ATOM 0 HG21 ILE A 571 -5.726 -10.590 -11.213 1.00 0.00 H new ATOM 0 HG22 ILE A 571 -7.236 -11.424 -10.779 1.00 0.00 H new ATOM 0 HG23 ILE A 571 -7.039 -10.730 -12.406 1.00 0.00 H new ATOM 0 HD11 ILE A 571 -6.007 -7.487 -13.475 1.00 0.00 H new ATOM 0 HD12 ILE A 571 -5.794 -9.213 -13.097 1.00 0.00 H new ATOM 0 HD13 ILE A 571 -7.404 -8.587 -13.524 1.00 0.00 H new ATOM 632 N SER A 572 -9.019 -11.091 -9.473 1.00 0.00 N ATOM 633 CA SER A 572 -9.572 -12.292 -8.870 1.00 0.00 C ATOM 634 C SER A 572 -8.657 -12.782 -7.746 1.00 0.00 C ATOM 635 O SER A 572 -7.705 -13.521 -7.993 1.00 0.00 O ATOM 636 CB SER A 572 -9.766 -13.394 -9.914 1.00 0.00 C ATOM 637 OG SER A 572 -10.994 -14.093 -9.731 1.00 0.00 O ATOM 0 H SER A 572 -8.160 -10.752 -9.039 1.00 0.00 H new ATOM 0 HA SER A 572 -10.549 -12.047 -8.454 1.00 0.00 H new ATOM 0 HB2 SER A 572 -9.744 -12.956 -10.912 1.00 0.00 H new ATOM 0 HB3 SER A 572 -8.936 -14.098 -9.856 1.00 0.00 H new ATOM 0 HG SER A 572 -11.081 -14.787 -10.418 1.00 0.00 H new ATOM 643 N GLY A 573 -8.977 -12.349 -6.535 1.00 0.00 N ATOM 644 CA GLY A 573 -8.196 -12.734 -5.372 1.00 0.00 C ATOM 645 C GLY A 573 -7.091 -11.713 -5.092 1.00 0.00 C ATOM 646 O GLY A 573 -6.217 -11.953 -4.260 1.00 0.00 O ATOM 0 H GLY A 573 -9.767 -11.735 -6.334 1.00 0.00 H new ATOM 0 HA2 GLY A 573 -8.848 -12.817 -4.503 1.00 0.00 H new ATOM 0 HA3 GLY A 573 -7.755 -13.717 -5.535 1.00 0.00 H new ATOM 650 N TYR A 574 -7.166 -10.597 -5.802 1.00 0.00 N ATOM 651 CA TYR A 574 -6.183 -9.540 -5.640 1.00 0.00 C ATOM 652 C TYR A 574 -6.754 -8.381 -4.819 1.00 0.00 C ATOM 653 O TYR A 574 -7.971 -8.226 -4.721 1.00 0.00 O ATOM 654 CB TYR A 574 -5.864 -9.041 -7.051 1.00 0.00 C ATOM 655 CG TYR A 574 -4.534 -9.555 -7.606 1.00 0.00 C ATOM 656 CD1 TYR A 574 -3.344 -9.109 -7.070 1.00 0.00 C ATOM 657 CD2 TYR A 574 -4.526 -10.464 -8.644 1.00 0.00 C ATOM 658 CE1 TYR A 574 -2.092 -9.592 -7.592 1.00 0.00 C ATOM 659 CE2 TYR A 574 -3.274 -10.948 -9.167 1.00 0.00 C ATOM 660 CZ TYR A 574 -2.119 -10.488 -8.615 1.00 0.00 C ATOM 661 OH TYR A 574 -0.937 -10.945 -9.109 1.00 0.00 O ATOM 0 H TYR A 574 -7.893 -10.402 -6.491 1.00 0.00 H new ATOM 0 HA TYR A 574 -5.301 -9.913 -5.119 1.00 0.00 H new ATOM 0 HB2 TYR A 574 -6.668 -9.343 -7.723 1.00 0.00 H new ATOM 0 HB3 TYR A 574 -5.847 -7.951 -7.045 1.00 0.00 H new ATOM 0 HD1 TYR A 574 -3.351 -8.397 -6.258 1.00 0.00 H new ATOM 0 HD2 TYR A 574 -5.458 -10.812 -9.064 1.00 0.00 H new ATOM 0 HE1 TYR A 574 -1.153 -9.251 -7.181 1.00 0.00 H new ATOM 0 HE2 TYR A 574 -3.253 -11.660 -9.979 1.00 0.00 H new ATOM 0 HH TYR A 574 -1.110 -11.580 -9.836 1.00 0.00 H new ATOM 671 N ALA A 575 -5.850 -7.598 -4.251 1.00 0.00 N ATOM 672 CA ALA A 575 -6.248 -6.459 -3.442 1.00 0.00 C ATOM 673 C ALA A 575 -5.742 -5.172 -4.097 1.00 0.00 C ATOM 674 O ALA A 575 -4.762 -5.194 -4.840 1.00 0.00 O ATOM 675 CB ALA A 575 -5.721 -6.635 -2.017 1.00 0.00 C ATOM 0 H ALA A 575 -4.842 -7.730 -4.335 1.00 0.00 H new ATOM 0 HA ALA A 575 -7.334 -6.393 -3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 575 -6.020 -5.780 -1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 575 -6.134 -7.547 -1.587 1.00 0.00 H new ATOM 0 HB3 ALA A 575 -4.633 -6.703 -2.037 1.00 0.00 H new ATOM 681 N LYS A 576 -6.432 -4.082 -3.797 1.00 0.00 N ATOM 682 CA LYS A 576 -6.065 -2.788 -4.347 1.00 0.00 C ATOM 683 C LYS A 576 -6.474 -1.687 -3.367 1.00 0.00 C ATOM 684 O LYS A 576 -7.597 -1.683 -2.866 1.00 0.00 O ATOM 685 CB LYS A 576 -6.654 -2.614 -5.748 1.00 0.00 C ATOM 686 CG LYS A 576 -8.138 -2.249 -5.677 1.00 0.00 C ATOM 687 CD LYS A 576 -8.690 -1.924 -7.066 1.00 0.00 C ATOM 688 CE LYS A 576 -8.491 -0.444 -7.402 1.00 0.00 C ATOM 689 NZ LYS A 576 -9.783 0.185 -7.759 1.00 0.00 N ATOM 0 H LYS A 576 -7.244 -4.068 -3.180 1.00 0.00 H new ATOM 0 HA LYS A 576 -4.984 -2.720 -4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 576 -6.109 -1.835 -6.281 1.00 0.00 H new ATOM 0 HB3 LYS A 576 -6.529 -3.536 -6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 576 -8.699 -3.077 -5.243 1.00 0.00 H new ATOM 0 HG3 LYS A 576 -8.274 -1.392 -5.018 1.00 0.00 H new ATOM 0 HD2 LYS A 576 -8.191 -2.541 -7.813 1.00 0.00 H new ATOM 0 HD3 LYS A 576 -9.751 -2.171 -7.107 1.00 0.00 H new ATOM 0 HE2 LYS A 576 -8.052 0.073 -6.549 1.00 0.00 H new ATOM 0 HE3 LYS A 576 -7.790 -0.344 -8.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 576 -9.630 1.189 -7.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 576 -10.187 -0.298 -8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 576 -10.441 0.106 -6.957 1.00 0.00 H new ATOM 702 N ILE A 577 -5.539 -0.780 -3.122 1.00 0.00 N ATOM 703 CA ILE A 577 -5.789 0.324 -2.210 1.00 0.00 C ATOM 704 C ILE A 577 -5.298 1.626 -2.846 1.00 0.00 C ATOM 705 O ILE A 577 -4.331 1.623 -3.607 1.00 0.00 O ATOM 706 CB ILE A 577 -5.171 0.037 -0.840 1.00 0.00 C ATOM 707 CG1 ILE A 577 -3.953 0.930 -0.590 1.00 0.00 C ATOM 708 CG2 ILE A 577 -4.833 -1.447 -0.690 1.00 0.00 C ATOM 709 CD1 ILE A 577 -2.908 0.753 -1.694 1.00 0.00 C ATOM 0 H ILE A 577 -4.608 -0.787 -3.539 1.00 0.00 H new ATOM 0 HA ILE A 577 -6.859 0.439 -2.034 1.00 0.00 H new ATOM 0 HB ILE A 577 -5.910 0.277 -0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 577 -4.266 1.973 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 577 -3.511 0.687 0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 577 -4.395 -1.623 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 577 -5.742 -2.039 -0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 577 -4.120 -1.738 -1.462 1.00 0.00 H new ATOM 0 HD11 ILE A 577 -2.053 1.398 -1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 577 -2.580 -0.286 -1.721 1.00 0.00 H new ATOM 0 HD13 ILE A 577 -3.346 1.020 -2.656 1.00 0.00 H new ATOM 721 N THR A 578 -5.987 2.707 -2.512 1.00 0.00 N ATOM 722 CA THR A 578 -5.633 4.013 -3.041 1.00 0.00 C ATOM 723 C THR A 578 -5.301 4.978 -1.901 1.00 0.00 C ATOM 724 O THR A 578 -6.012 5.029 -0.899 1.00 0.00 O ATOM 725 CB THR A 578 -6.785 4.492 -3.926 1.00 0.00 C ATOM 726 OG1 THR A 578 -7.171 3.329 -4.653 1.00 0.00 O ATOM 727 CG2 THR A 578 -6.323 5.471 -5.008 1.00 0.00 C ATOM 0 H THR A 578 -6.789 2.705 -1.881 1.00 0.00 H new ATOM 0 HA THR A 578 -4.733 3.961 -3.654 1.00 0.00 H new ATOM 0 HB THR A 578 -7.546 4.967 -3.306 1.00 0.00 H new ATOM 0 HG1 THR A 578 -7.915 3.549 -5.251 1.00 0.00 H new ATOM 0 HG21 THR A 578 -7.179 5.780 -5.608 1.00 0.00 H new ATOM 0 HG22 THR A 578 -5.874 6.346 -4.539 1.00 0.00 H new ATOM 0 HG23 THR A 578 -5.587 4.985 -5.649 1.00 0.00 H new ATOM 735 N VAL A 579 -4.220 5.720 -2.092 1.00 0.00 N ATOM 736 CA VAL A 579 -3.785 6.681 -1.093 1.00 0.00 C ATOM 737 C VAL A 579 -3.562 8.039 -1.760 1.00 0.00 C ATOM 738 O VAL A 579 -2.773 8.152 -2.697 1.00 0.00 O ATOM 739 CB VAL A 579 -2.542 6.158 -0.370 1.00 0.00 C ATOM 740 CG1 VAL A 579 -2.279 6.950 0.912 1.00 0.00 C ATOM 741 CG2 VAL A 579 -2.668 4.662 -0.075 1.00 0.00 C ATOM 0 H VAL A 579 -3.632 5.675 -2.924 1.00 0.00 H new ATOM 0 HA VAL A 579 -4.554 6.816 -0.333 1.00 0.00 H new ATOM 0 HB VAL A 579 -1.687 6.298 -1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 579 -1.390 6.558 1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 579 -2.123 8.000 0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 579 -3.136 6.857 1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 579 -1.771 4.316 0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 579 -3.539 4.488 0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 579 -2.784 4.115 -1.011 1.00 0.00 H new ATOM 751 N ASP A 580 -4.270 9.036 -1.251 1.00 0.00 N ATOM 752 CA ASP A 580 -4.159 10.383 -1.787 1.00 0.00 C ATOM 753 C ASP A 580 -3.009 11.111 -1.088 1.00 0.00 C ATOM 754 O ASP A 580 -2.936 11.129 0.140 1.00 0.00 O ATOM 755 CB ASP A 580 -5.442 11.180 -1.543 1.00 0.00 C ATOM 756 CG ASP A 580 -6.593 10.381 -0.931 1.00 0.00 C ATOM 757 OD1 ASP A 580 -6.989 9.328 -1.453 1.00 0.00 O ATOM 758 OD2 ASP A 580 -7.097 10.887 0.144 1.00 0.00 O ATOM 0 H ASP A 580 -4.923 8.939 -0.473 1.00 0.00 H new ATOM 0 HA ASP A 580 -3.981 10.306 -2.860 1.00 0.00 H new ATOM 0 HB2 ASP A 580 -5.212 12.018 -0.885 1.00 0.00 H new ATOM 0 HB3 ASP A 580 -5.776 11.601 -2.491 1.00 0.00 H new ATOM 764 N ILE A 581 -2.140 11.695 -1.900 1.00 0.00 N ATOM 765 CA ILE A 581 -0.998 12.424 -1.375 1.00 0.00 C ATOM 766 C ILE A 581 -1.227 13.925 -1.560 1.00 0.00 C ATOM 767 O ILE A 581 -1.014 14.708 -0.636 1.00 0.00 O ATOM 768 CB ILE A 581 0.299 11.916 -2.009 1.00 0.00 C ATOM 769 CG1 ILE A 581 0.182 11.872 -3.534 1.00 0.00 C ATOM 770 CG2 ILE A 581 0.701 10.561 -1.425 1.00 0.00 C ATOM 771 CD1 ILE A 581 1.503 11.438 -4.173 1.00 0.00 C ATOM 0 H ILE A 581 -2.204 11.678 -2.918 1.00 0.00 H new ATOM 0 HA ILE A 581 -0.893 12.248 -0.305 1.00 0.00 H new ATOM 0 HB ILE A 581 1.096 12.619 -1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 581 -0.610 11.180 -3.822 1.00 0.00 H new ATOM 0 HG13 ILE A 581 -0.102 12.855 -3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 581 1.626 10.223 -1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 581 0.853 10.659 -0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 581 -0.089 9.834 -1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 581 1.392 11.415 -5.257 1.00 0.00 H new ATOM 0 HD12 ILE A 581 2.287 12.145 -3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 581 1.771 10.444 -3.815 1.00 0.00 H new ATOM 783 N GLY A 582 -1.658 14.282 -2.761 1.00 0.00 N ATOM 784 CA GLY A 582 -1.918 15.675 -3.080 1.00 0.00 C ATOM 785 C GLY A 582 -0.736 16.560 -2.676 1.00 0.00 C ATOM 786 O GLY A 582 -0.663 17.023 -1.539 1.00 0.00 O ATOM 0 H GLY A 582 -1.834 13.630 -3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -2.106 15.778 -4.149 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -2.819 16.008 -2.565 1.00 0.00 H new ATOM 790 N SER A 583 0.159 16.768 -3.630 1.00 0.00 N ATOM 791 CA SER A 583 1.334 17.589 -3.388 1.00 0.00 C ATOM 792 C SER A 583 2.471 16.725 -2.839 1.00 0.00 C ATOM 793 O SER A 583 3.181 17.137 -1.923 1.00 0.00 O ATOM 794 CB SER A 583 1.018 18.730 -2.419 1.00 0.00 C ATOM 795 OG SER A 583 1.762 19.907 -2.720 1.00 0.00 O ATOM 0 H SER A 583 0.095 16.382 -4.572 1.00 0.00 H new ATOM 0 HA SER A 583 1.646 18.029 -4.335 1.00 0.00 H new ATOM 0 HB2 SER A 583 -0.048 18.955 -2.459 1.00 0.00 H new ATOM 0 HB3 SER A 583 1.239 18.412 -1.400 1.00 0.00 H new ATOM 0 HG SER A 583 1.531 20.613 -2.080 1.00 0.00 H new ATOM 801 N ALA A 584 2.609 15.544 -3.422 1.00 0.00 N ATOM 802 CA ALA A 584 3.648 14.619 -3.002 1.00 0.00 C ATOM 803 C ALA A 584 4.000 13.691 -4.167 1.00 0.00 C ATOM 804 O ALA A 584 3.132 13.327 -4.959 1.00 0.00 O ATOM 805 CB ALA A 584 3.179 13.850 -1.765 1.00 0.00 C ATOM 0 H ALA A 584 2.019 15.206 -4.182 1.00 0.00 H new ATOM 0 HA ALA A 584 4.553 15.159 -2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 584 3.959 13.156 -1.450 1.00 0.00 H new ATOM 0 HB2 ALA A 584 2.971 14.552 -0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 584 2.273 13.293 -2.005 1.00 0.00 H new ATOM 811 N SER A 585 5.274 13.334 -4.233 1.00 0.00 N ATOM 812 CA SER A 585 5.751 12.455 -5.288 1.00 0.00 C ATOM 813 C SER A 585 6.202 11.120 -4.692 1.00 0.00 C ATOM 814 O SER A 585 6.651 10.233 -5.417 1.00 0.00 O ATOM 815 CB SER A 585 6.897 13.103 -6.068 1.00 0.00 C ATOM 816 OG SER A 585 8.004 13.417 -5.227 1.00 0.00 O ATOM 0 H SER A 585 5.991 13.637 -3.574 1.00 0.00 H new ATOM 0 HA SER A 585 4.930 12.277 -5.983 1.00 0.00 H new ATOM 0 HB2 SER A 585 7.223 12.429 -6.860 1.00 0.00 H new ATOM 0 HB3 SER A 585 6.539 14.012 -6.550 1.00 0.00 H new ATOM 0 HG SER A 585 8.715 13.827 -5.762 1.00 0.00 H new ATOM 822 N GLN A 586 6.067 11.019 -3.378 1.00 0.00 N ATOM 823 CA GLN A 586 6.455 9.807 -2.677 1.00 0.00 C ATOM 824 C GLN A 586 5.613 9.633 -1.412 1.00 0.00 C ATOM 825 O GLN A 586 5.349 10.600 -0.699 1.00 0.00 O ATOM 826 CB GLN A 586 7.948 9.821 -2.343 1.00 0.00 C ATOM 827 CG GLN A 586 8.795 9.727 -3.615 1.00 0.00 C ATOM 828 CD GLN A 586 10.286 9.661 -3.277 1.00 0.00 C ATOM 829 OE1 GLN A 586 10.815 10.467 -2.530 1.00 0.00 O ATOM 830 NE2 GLN A 586 10.930 8.659 -3.867 1.00 0.00 N ATOM 0 H GLN A 586 5.694 11.757 -2.780 1.00 0.00 H new ATOM 0 HA GLN A 586 6.270 8.956 -3.333 1.00 0.00 H new ATOM 0 HB2 GLN A 586 8.195 10.735 -1.804 1.00 0.00 H new ATOM 0 HB3 GLN A 586 8.184 8.987 -1.682 1.00 0.00 H new ATOM 0 HG2 GLN A 586 8.508 8.842 -4.183 1.00 0.00 H new ATOM 0 HG3 GLN A 586 8.600 10.591 -4.251 1.00 0.00 H new ATOM 0 HE21 GLN A 586 10.425 8.020 -4.481 1.00 0.00 H new ATOM 0 HE22 GLN A 586 11.929 8.529 -3.705 1.00 0.00 H new ATOM 839 N LEU A 587 5.213 8.392 -1.172 1.00 0.00 N ATOM 840 CA LEU A 587 4.405 8.079 -0.005 1.00 0.00 C ATOM 841 C LEU A 587 4.856 6.737 0.576 1.00 0.00 C ATOM 842 O LEU A 587 5.203 5.820 -0.166 1.00 0.00 O ATOM 843 CB LEU A 587 2.917 8.128 -0.355 1.00 0.00 C ATOM 844 CG LEU A 587 2.052 7.013 0.236 1.00 0.00 C ATOM 845 CD1 LEU A 587 0.638 7.517 0.537 1.00 0.00 C ATOM 846 CD2 LEU A 587 2.041 5.786 -0.676 1.00 0.00 C ATOM 0 H LEU A 587 5.433 7.592 -1.765 1.00 0.00 H new ATOM 0 HA LEU A 587 4.551 8.829 0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 587 2.517 9.086 -0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 587 2.818 8.101 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 587 2.493 6.705 1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 587 0.044 6.705 0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 587 0.689 8.337 1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 587 0.173 7.869 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 587 1.419 5.009 -0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 587 1.638 6.061 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 587 3.058 5.413 -0.796 1.00 0.00 H new ATOM 858 N GLU A 588 4.837 6.666 1.899 1.00 0.00 N ATOM 859 CA GLU A 588 5.240 5.452 2.589 1.00 0.00 C ATOM 860 C GLU A 588 4.025 4.558 2.843 1.00 0.00 C ATOM 861 O GLU A 588 2.920 5.053 3.060 1.00 0.00 O ATOM 862 CB GLU A 588 5.964 5.778 3.897 1.00 0.00 C ATOM 863 CG GLU A 588 6.345 4.500 4.646 1.00 0.00 C ATOM 864 CD GLU A 588 7.627 4.702 5.457 1.00 0.00 C ATOM 865 OE1 GLU A 588 8.679 5.025 4.885 1.00 0.00 O ATOM 866 OE2 GLU A 588 7.504 4.514 6.727 1.00 0.00 O ATOM 0 H GLU A 588 4.549 7.429 2.511 1.00 0.00 H new ATOM 0 HA GLU A 588 5.939 4.910 1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 588 6.861 6.361 3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 588 5.324 6.396 4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 588 5.532 4.208 5.311 1.00 0.00 H new ATOM 0 HG3 GLU A 588 6.484 3.685 3.935 1.00 0.00 H new ATOM 874 N ALA A 589 4.270 3.256 2.808 1.00 0.00 N ATOM 875 CA ALA A 589 3.209 2.289 3.032 1.00 0.00 C ATOM 876 C ALA A 589 3.765 1.103 3.823 1.00 0.00 C ATOM 877 O ALA A 589 4.875 0.644 3.562 1.00 0.00 O ATOM 878 CB ALA A 589 2.613 1.865 1.688 1.00 0.00 C ATOM 0 H ALA A 589 5.188 2.849 2.628 1.00 0.00 H new ATOM 0 HA ALA A 589 2.405 2.731 3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 589 1.817 1.140 1.856 1.00 0.00 H new ATOM 0 HB2 ALA A 589 2.206 2.739 1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 589 3.391 1.414 1.071 1.00 0.00 H new ATOM 884 N ALA A 590 2.967 0.642 4.775 1.00 0.00 N ATOM 885 CA ALA A 590 3.365 -0.481 5.607 1.00 0.00 C ATOM 886 C ALA A 590 2.257 -1.535 5.597 1.00 0.00 C ATOM 887 O ALA A 590 1.121 -1.244 5.226 1.00 0.00 O ATOM 888 CB ALA A 590 3.685 0.016 7.018 1.00 0.00 C ATOM 0 H ALA A 590 2.046 1.026 4.989 1.00 0.00 H new ATOM 0 HA ALA A 590 4.268 -0.948 5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 590 3.983 -0.827 7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 590 4.498 0.740 6.973 1.00 0.00 H new ATOM 0 HB3 ALA A 590 2.801 0.489 7.446 1.00 0.00 H new ATOM 894 N PHE A 591 2.625 -2.739 6.011 1.00 0.00 N ATOM 895 CA PHE A 591 1.676 -3.838 6.054 1.00 0.00 C ATOM 896 C PHE A 591 1.559 -4.406 7.470 1.00 0.00 C ATOM 897 O PHE A 591 2.565 -4.750 8.090 1.00 0.00 O ATOM 898 CB PHE A 591 2.211 -4.928 5.123 1.00 0.00 C ATOM 899 CG PHE A 591 1.687 -4.833 3.689 1.00 0.00 C ATOM 900 CD1 PHE A 591 0.382 -4.526 3.460 1.00 0.00 C ATOM 901 CD2 PHE A 591 2.527 -5.056 2.642 1.00 0.00 C ATOM 902 CE1 PHE A 591 -0.104 -4.438 2.129 1.00 0.00 C ATOM 903 CE2 PHE A 591 2.041 -4.968 1.311 1.00 0.00 C ATOM 904 CZ PHE A 591 0.736 -4.661 1.082 1.00 0.00 C ATOM 0 H PHE A 591 3.568 -2.977 6.320 1.00 0.00 H new ATOM 0 HA PHE A 591 0.689 -3.490 5.748 1.00 0.00 H new ATOM 0 HB2 PHE A 591 3.300 -4.875 5.106 1.00 0.00 H new ATOM 0 HB3 PHE A 591 1.946 -5.903 5.532 1.00 0.00 H new ATOM 0 HD1 PHE A 591 -0.285 -4.349 4.291 1.00 0.00 H new ATOM 0 HD2 PHE A 591 3.563 -5.300 2.824 1.00 0.00 H new ATOM 0 HE1 PHE A 591 -1.140 -4.194 1.947 1.00 0.00 H new ATOM 0 HE2 PHE A 591 2.708 -5.145 0.480 1.00 0.00 H new ATOM 0 HZ PHE A 591 0.367 -4.594 0.069 1.00 0.00 H new ATOM 914 N ASN A 592 0.323 -4.486 7.941 1.00 0.00 N ATOM 915 CA ASN A 592 0.062 -5.006 9.273 1.00 0.00 C ATOM 916 C ASN A 592 -1.231 -5.823 9.252 1.00 0.00 C ATOM 917 O ASN A 592 -2.225 -5.404 8.660 1.00 0.00 O ATOM 918 CB ASN A 592 -0.112 -3.870 10.283 1.00 0.00 C ATOM 919 CG ASN A 592 -1.419 -3.113 10.037 1.00 0.00 C ATOM 920 OD1 ASN A 592 -2.486 -3.504 10.481 1.00 0.00 O ATOM 921 ND2 ASN A 592 -1.276 -2.011 9.306 1.00 0.00 N ATOM 0 H ASN A 592 -0.509 -4.200 7.424 1.00 0.00 H new ATOM 0 HA ASN A 592 0.911 -5.623 9.567 1.00 0.00 H new ATOM 0 HB2 ASN A 592 -0.107 -4.275 11.295 1.00 0.00 H new ATOM 0 HB3 ASN A 592 0.730 -3.182 10.210 1.00 0.00 H new ATOM 0 HD21 ASN A 592 -2.089 -1.436 9.086 1.00 0.00 H new ATOM 0 HD22 ASN A 592 -0.353 -1.741 8.966 1.00 0.00 H new ATOM 928 N ASP A 593 -1.177 -6.974 9.905 1.00 0.00 N ATOM 929 CA ASP A 593 -2.332 -7.854 9.969 1.00 0.00 C ATOM 930 C ASP A 593 -3.485 -7.125 10.661 1.00 0.00 C ATOM 931 O ASP A 593 -4.652 -7.410 10.397 1.00 0.00 O ATOM 932 CB ASP A 593 -2.019 -9.116 10.774 1.00 0.00 C ATOM 933 CG ASP A 593 -1.445 -8.867 12.170 1.00 0.00 C ATOM 934 OD1 ASP A 593 -0.885 -7.796 12.448 1.00 0.00 O ATOM 935 OD2 ASP A 593 -1.592 -9.842 13.002 1.00 0.00 O ATOM 0 H ASP A 593 -0.351 -7.318 10.395 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.600 -8.134 8.950 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -2.933 -9.702 10.873 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -1.311 -9.723 10.209 1.00 0.00 H new ATOM 941 N GLY A 594 -3.118 -6.198 11.534 1.00 0.00 N ATOM 942 CA GLY A 594 -4.107 -5.426 12.267 1.00 0.00 C ATOM 943 C GLY A 594 -4.257 -5.945 13.698 1.00 0.00 C ATOM 944 O GLY A 594 -5.086 -5.448 14.459 1.00 0.00 O ATOM 0 H GLY A 594 -2.149 -5.964 11.750 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -3.813 -4.377 12.286 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -5.068 -5.479 11.755 1.00 0.00 H new ATOM 948 N ASN A 595 -3.443 -6.939 14.022 1.00 0.00 N ATOM 949 CA ASN A 595 -3.475 -7.531 15.349 1.00 0.00 C ATOM 950 C ASN A 595 -2.181 -7.186 16.088 1.00 0.00 C ATOM 951 O ASN A 595 -2.183 -7.021 17.307 1.00 0.00 O ATOM 952 CB ASN A 595 -3.582 -9.055 15.269 1.00 0.00 C ATOM 953 CG ASN A 595 -4.712 -9.573 16.162 1.00 0.00 C ATOM 954 OD1 ASN A 595 -5.493 -8.819 16.719 1.00 0.00 O ATOM 955 ND2 ASN A 595 -4.756 -10.898 16.265 1.00 0.00 N ATOM 0 H ASN A 595 -2.757 -7.350 13.388 1.00 0.00 H new ATOM 0 HA ASN A 595 -4.344 -7.135 15.874 1.00 0.00 H new ATOM 0 HB2 ASN A 595 -3.762 -9.357 14.237 1.00 0.00 H new ATOM 0 HB3 ASN A 595 -2.637 -9.506 15.573 1.00 0.00 H new ATOM 0 HD21 ASN A 595 -5.475 -11.341 16.837 1.00 0.00 H new ATOM 0 HD22 ASN A 595 -4.071 -11.471 15.772 1.00 0.00 H new ATOM 962 N ASN A 596 -1.106 -7.087 15.319 1.00 0.00 N ATOM 963 CA ASN A 596 0.192 -6.764 15.886 1.00 0.00 C ATOM 964 C ASN A 596 1.266 -6.911 14.806 1.00 0.00 C ATOM 965 O ASN A 596 2.213 -6.127 14.757 1.00 0.00 O ATOM 966 CB ASN A 596 0.544 -7.713 17.033 1.00 0.00 C ATOM 967 CG ASN A 596 1.347 -6.991 18.117 1.00 0.00 C ATOM 968 OD1 ASN A 596 2.014 -5.999 17.873 1.00 0.00 O ATOM 969 ND2 ASN A 596 1.245 -7.540 19.323 1.00 0.00 N ATOM 0 H ASN A 596 -1.108 -7.225 14.308 1.00 0.00 H new ATOM 0 HA ASN A 596 0.150 -5.742 16.263 1.00 0.00 H new ATOM 0 HB2 ASN A 596 -0.370 -8.122 17.464 1.00 0.00 H new ATOM 0 HB3 ASN A 596 1.120 -8.555 16.649 1.00 0.00 H new ATOM 0 HD21 ASN A 596 1.743 -7.130 20.114 1.00 0.00 H new ATOM 0 HD22 ASN A 596 0.669 -8.371 19.458 1.00 0.00 H new ATOM 976 N ASN A 597 1.082 -7.920 13.967 1.00 0.00 N ATOM 977 CA ASN A 597 2.023 -8.179 12.890 1.00 0.00 C ATOM 978 C ASN A 597 2.312 -6.874 12.146 1.00 0.00 C ATOM 979 O ASN A 597 1.410 -6.277 11.559 1.00 0.00 O ATOM 980 CB ASN A 597 1.449 -9.179 11.886 1.00 0.00 C ATOM 981 CG ASN A 597 2.567 -9.901 11.131 1.00 0.00 C ATOM 982 OD1 ASN A 597 3.645 -9.373 10.912 1.00 0.00 O ATOM 983 ND2 ASN A 597 2.252 -11.134 10.746 1.00 0.00 N ATOM 0 H ASN A 597 0.295 -8.568 14.011 1.00 0.00 H new ATOM 0 HA ASN A 597 2.932 -8.590 13.328 1.00 0.00 H new ATOM 0 HB2 ASN A 597 0.828 -9.907 12.407 1.00 0.00 H new ATOM 0 HB3 ASN A 597 0.804 -8.659 11.178 1.00 0.00 H new ATOM 0 HD21 ASN A 597 2.931 -11.698 10.235 1.00 0.00 H new ATOM 0 HD22 ASN A 597 1.331 -11.516 10.962 1.00 0.00 H new ATOM 990 N TRP A 598 3.572 -6.468 12.194 1.00 0.00 N ATOM 991 CA TRP A 598 3.990 -5.245 11.531 1.00 0.00 C ATOM 992 C TRP A 598 5.099 -5.600 10.538 1.00 0.00 C ATOM 993 O TRP A 598 6.050 -6.298 10.887 1.00 0.00 O ATOM 994 CB TRP A 598 4.418 -4.187 12.550 1.00 0.00 C ATOM 995 CG TRP A 598 3.257 -3.372 13.125 1.00 0.00 C ATOM 996 CD1 TRP A 598 2.750 -3.419 14.364 1.00 0.00 C ATOM 997 CD2 TRP A 598 2.476 -2.379 12.427 1.00 0.00 C ATOM 998 NE1 TRP A 598 1.702 -2.533 14.516 1.00 0.00 N ATOM 999 CE2 TRP A 598 1.531 -1.881 13.301 1.00 0.00 C ATOM 1000 CE3 TRP A 598 2.565 -1.917 11.102 1.00 0.00 C ATOM 1001 CZ2 TRP A 598 0.602 -0.895 12.945 1.00 0.00 C ATOM 1002 CZ3 TRP A 598 1.630 -0.932 10.762 1.00 0.00 C ATOM 1003 CH2 TRP A 598 0.672 -0.420 11.630 1.00 0.00 C ATOM 0 H TRP A 598 4.317 -6.965 12.682 1.00 0.00 H new ATOM 0 HA TRP A 598 3.159 -4.802 10.982 1.00 0.00 H new ATOM 0 HB2 TRP A 598 4.945 -4.678 13.369 1.00 0.00 H new ATOM 0 HB3 TRP A 598 5.127 -3.507 12.077 1.00 0.00 H new ATOM 0 HD1 TRP A 598 3.115 -4.068 15.146 1.00 0.00 H new ATOM 0 HE1 TRP A 598 1.154 -2.385 15.364 1.00 0.00 H new ATOM 0 HE3 TRP A 598 3.297 -2.292 10.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 -0.129 -0.521 13.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 1.655 -0.543 9.755 1.00 0.00 H new ATOM 0 HH2 TRP A 598 -0.015 0.341 11.291 1.00 0.00 H new ATOM 1014 N ASP A 599 4.940 -5.104 9.320 1.00 0.00 N ATOM 1015 CA ASP A 599 5.916 -5.360 8.274 1.00 0.00 C ATOM 1016 C ASP A 599 6.266 -4.045 7.575 1.00 0.00 C ATOM 1017 O ASP A 599 5.510 -3.077 7.651 1.00 0.00 O ATOM 1018 CB ASP A 599 5.356 -6.320 7.222 1.00 0.00 C ATOM 1019 CG ASP A 599 6.033 -7.691 7.173 1.00 0.00 C ATOM 1020 OD1 ASP A 599 5.364 -8.735 7.211 1.00 0.00 O ATOM 1021 OD2 ASP A 599 7.320 -7.662 7.092 1.00 0.00 O ATOM 0 H ASP A 599 4.150 -4.526 9.034 1.00 0.00 H new ATOM 0 HA ASP A 599 6.797 -5.805 8.737 1.00 0.00 H new ATOM 0 HB2 ASP A 599 4.292 -6.463 7.412 1.00 0.00 H new ATOM 0 HB3 ASP A 599 5.444 -5.852 6.241 1.00 0.00 H new ATOM 1027 N SER A 600 7.412 -4.051 6.911 1.00 0.00 N ATOM 1028 CA SER A 600 7.871 -2.870 6.200 1.00 0.00 C ATOM 1029 C SER A 600 9.029 -3.238 5.269 1.00 0.00 C ATOM 1030 O SER A 600 8.859 -3.286 4.051 1.00 0.00 O ATOM 1031 CB SER A 600 8.302 -1.773 7.174 1.00 0.00 C ATOM 1032 OG SER A 600 7.276 -1.459 8.112 1.00 0.00 O ATOM 0 H SER A 600 8.037 -4.855 6.850 1.00 0.00 H new ATOM 0 HA SER A 600 7.042 -2.485 5.606 1.00 0.00 H new ATOM 0 HB2 SER A 600 9.196 -2.094 7.709 1.00 0.00 H new ATOM 0 HB3 SER A 600 8.569 -0.876 6.615 1.00 0.00 H new ATOM 0 HG SER A 600 6.401 -1.657 7.718 1.00 0.00 H new ATOM 1038 N ASN A 601 10.179 -3.487 5.877 1.00 0.00 N ATOM 1039 CA ASN A 601 11.364 -3.849 5.118 1.00 0.00 C ATOM 1040 C ASN A 601 12.583 -3.829 6.043 1.00 0.00 C ATOM 1041 O ASN A 601 13.210 -4.862 6.271 1.00 0.00 O ATOM 1042 CB ASN A 601 11.616 -2.854 3.983 1.00 0.00 C ATOM 1043 CG ASN A 601 13.044 -2.980 3.450 1.00 0.00 C ATOM 1044 OD1 ASN A 601 13.471 -4.025 2.986 1.00 0.00 O ATOM 1045 ND2 ASN A 601 13.757 -1.861 3.540 1.00 0.00 N ATOM 0 H ASN A 601 10.316 -3.445 6.887 1.00 0.00 H new ATOM 0 HA ASN A 601 11.205 -4.843 4.699 1.00 0.00 H new ATOM 0 HB2 ASN A 601 10.906 -3.031 3.175 1.00 0.00 H new ATOM 0 HB3 ASN A 601 11.446 -1.838 4.340 1.00 0.00 H new ATOM 0 HD21 ASN A 601 14.722 -1.843 3.210 1.00 0.00 H new ATOM 0 HD22 ASN A 601 13.339 -1.021 3.939 1.00 0.00 H new ATOM 1052 N ASN A 602 12.882 -2.642 6.550 1.00 0.00 N ATOM 1053 CA ASN A 602 14.014 -2.474 7.445 1.00 0.00 C ATOM 1054 C ASN A 602 13.657 -1.452 8.526 1.00 0.00 C ATOM 1055 O ASN A 602 13.289 -1.824 9.640 1.00 0.00 O ATOM 1056 CB ASN A 602 15.240 -1.956 6.691 1.00 0.00 C ATOM 1057 CG ASN A 602 16.113 -3.114 6.202 1.00 0.00 C ATOM 1058 OD1 ASN A 602 15.754 -3.861 5.307 1.00 0.00 O ATOM 1059 ND2 ASN A 602 17.276 -3.221 6.839 1.00 0.00 N ATOM 0 H ASN A 602 12.360 -1.787 6.358 1.00 0.00 H new ATOM 0 HA ASN A 602 14.244 -3.445 7.883 1.00 0.00 H new ATOM 0 HB2 ASN A 602 14.921 -1.353 5.841 1.00 0.00 H new ATOM 0 HB3 ASN A 602 15.824 -1.306 7.342 1.00 0.00 H new ATOM 0 HD21 ASN A 602 17.929 -3.963 6.587 1.00 0.00 H new ATOM 0 HD22 ASN A 602 17.514 -2.561 7.580 1.00 0.00 H new ATOM 1066 N THR A 603 13.778 -0.185 8.160 1.00 0.00 N ATOM 1067 CA THR A 603 13.473 0.894 9.085 1.00 0.00 C ATOM 1068 C THR A 603 13.197 2.190 8.320 1.00 0.00 C ATOM 1069 O THR A 603 13.359 3.282 8.863 1.00 0.00 O ATOM 1070 CB THR A 603 14.632 1.008 10.077 1.00 0.00 C ATOM 1071 OG1 THR A 603 14.165 1.938 11.051 1.00 0.00 O ATOM 1072 CG2 THR A 603 15.858 1.691 9.468 1.00 0.00 C ATOM 0 H THR A 603 14.083 0.119 7.235 1.00 0.00 H new ATOM 0 HA THR A 603 12.563 0.687 9.649 1.00 0.00 H new ATOM 0 HB THR A 603 14.907 0.014 10.429 1.00 0.00 H new ATOM 0 HG1 THR A 603 13.826 2.740 10.601 1.00 0.00 H new ATOM 0 HG21 THR A 603 16.651 1.747 10.213 1.00 0.00 H new ATOM 0 HG22 THR A 603 16.206 1.116 8.610 1.00 0.00 H new ATOM 0 HG23 THR A 603 15.591 2.698 9.146 1.00 0.00 H new ATOM 1080 N LYS A 604 12.786 2.027 7.071 1.00 0.00 N ATOM 1081 CA LYS A 604 12.487 3.171 6.226 1.00 0.00 C ATOM 1082 C LYS A 604 11.413 2.780 5.209 1.00 0.00 C ATOM 1083 O LYS A 604 11.253 3.442 4.185 1.00 0.00 O ATOM 1084 CB LYS A 604 13.767 3.717 5.590 1.00 0.00 C ATOM 1085 CG LYS A 604 14.552 2.602 4.895 1.00 0.00 C ATOM 1086 CD LYS A 604 14.768 2.925 3.415 1.00 0.00 C ATOM 1087 CE LYS A 604 15.658 1.874 2.749 1.00 0.00 C ATOM 1088 NZ LYS A 604 17.079 2.286 2.808 1.00 0.00 N ATOM 0 H LYS A 604 12.653 1.120 6.624 1.00 0.00 H new ATOM 0 HA LYS A 604 12.081 3.989 6.821 1.00 0.00 H new ATOM 0 HB2 LYS A 604 13.516 4.494 4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 604 14.388 4.182 6.356 1.00 0.00 H new ATOM 0 HG2 LYS A 604 15.516 2.470 5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 604 14.014 1.659 4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 604 13.806 2.968 2.904 1.00 0.00 H new ATOM 0 HD3 LYS A 604 15.226 3.909 3.317 1.00 0.00 H new ATOM 0 HE2 LYS A 604 15.531 0.913 3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 604 15.355 1.738 1.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 17.670 1.562 2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 17.198 3.193 2.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 17.368 2.393 3.801 1.00 0.00 H new ATOM 1101 N ASN A 605 10.704 1.707 5.527 1.00 0.00 N ATOM 1102 CA ASN A 605 9.650 1.221 4.653 1.00 0.00 C ATOM 1103 C ASN A 605 10.070 1.419 3.195 1.00 0.00 C ATOM 1104 O ASN A 605 11.258 1.397 2.879 1.00 0.00 O ATOM 1105 CB ASN A 605 8.348 1.992 4.879 1.00 0.00 C ATOM 1106 CG ASN A 605 7.137 1.060 4.795 1.00 0.00 C ATOM 1107 OD1 ASN A 605 6.120 1.424 5.570 1.00 0.00 O flip ATOM 1108 ND2 ASN A 605 7.127 0.076 4.073 1.00 0.00 N flip ATOM 0 H ASN A 605 10.839 1.161 6.378 1.00 0.00 H new ATOM 0 HA ASN A 605 9.488 0.166 4.875 1.00 0.00 H new ATOM 0 HB2 ASN A 605 8.372 2.475 5.856 1.00 0.00 H new ATOM 0 HB3 ASN A 605 8.255 2.783 4.134 1.00 0.00 H new ATOM 0 HD21 ASN A 605 7.943 -0.146 3.503 1.00 0.00 H new ATOM 0 HD22 ASN A 605 6.303 -0.524 4.040 1.00 0.00 H new ATOM 1115 N TYR A 606 9.070 1.607 2.346 1.00 0.00 N ATOM 1116 CA TYR A 606 9.321 1.809 0.929 1.00 0.00 C ATOM 1117 C TYR A 606 8.695 3.117 0.442 1.00 0.00 C ATOM 1118 O TYR A 606 7.721 3.597 1.021 1.00 0.00 O ATOM 1119 CB TYR A 606 8.649 0.637 0.210 1.00 0.00 C ATOM 1120 CG TYR A 606 9.534 -0.604 0.082 1.00 0.00 C ATOM 1121 CD1 TYR A 606 10.750 -0.521 -0.565 1.00 0.00 C ATOM 1122 CD2 TYR A 606 9.116 -1.808 0.614 1.00 0.00 C ATOM 1123 CE1 TYR A 606 11.582 -1.690 -0.686 1.00 0.00 C ATOM 1124 CE2 TYR A 606 9.949 -2.976 0.493 1.00 0.00 C ATOM 1125 CZ TYR A 606 11.141 -2.860 -0.151 1.00 0.00 C ATOM 1126 OH TYR A 606 11.927 -3.963 -0.265 1.00 0.00 O ATOM 0 H TYR A 606 8.085 1.624 2.612 1.00 0.00 H new ATOM 0 HA TYR A 606 10.392 1.861 0.733 1.00 0.00 H new ATOM 0 HB2 TYR A 606 7.739 0.368 0.747 1.00 0.00 H new ATOM 0 HB3 TYR A 606 8.347 0.960 -0.786 1.00 0.00 H new ATOM 0 HD1 TYR A 606 11.078 0.421 -0.981 1.00 0.00 H new ATOM 0 HD2 TYR A 606 8.164 -1.873 1.121 1.00 0.00 H new ATOM 0 HE1 TYR A 606 12.535 -1.639 -1.191 1.00 0.00 H new ATOM 0 HE2 TYR A 606 9.634 -3.923 0.905 1.00 0.00 H new ATOM 0 HH TYR A 606 11.485 -4.725 0.164 1.00 0.00 H new ATOM 1136 N LEU A 607 9.278 3.657 -0.618 1.00 0.00 N ATOM 1137 CA LEU A 607 8.789 4.900 -1.189 1.00 0.00 C ATOM 1138 C LEU A 607 8.011 4.596 -2.470 1.00 0.00 C ATOM 1139 O LEU A 607 8.554 4.015 -3.408 1.00 0.00 O ATOM 1140 CB LEU A 607 9.941 5.887 -1.389 1.00 0.00 C ATOM 1141 CG LEU A 607 10.491 6.543 -0.121 1.00 0.00 C ATOM 1142 CD1 LEU A 607 11.504 5.630 0.573 1.00 0.00 C ATOM 1143 CD2 LEU A 607 11.079 7.922 -0.427 1.00 0.00 C ATOM 0 H LEU A 607 10.085 3.256 -1.096 1.00 0.00 H new ATOM 0 HA LEU A 607 8.097 5.388 -0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 607 10.758 5.365 -1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 607 9.606 6.674 -2.065 1.00 0.00 H new ATOM 0 HG LEU A 607 9.663 6.693 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 607 11.880 6.120 1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 607 11.021 4.692 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 607 12.334 5.427 -0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 607 11.463 8.366 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 607 11.891 7.820 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 607 10.303 8.564 -0.844 1.00 0.00 H new ATOM 1155 N PHE A 608 6.749 5.003 -2.469 1.00 0.00 N ATOM 1156 CA PHE A 608 5.890 4.781 -3.620 1.00 0.00 C ATOM 1157 C PHE A 608 5.335 6.104 -4.152 1.00 0.00 C ATOM 1158 O PHE A 608 5.018 7.005 -3.377 1.00 0.00 O ATOM 1159 CB PHE A 608 4.727 3.907 -3.147 1.00 0.00 C ATOM 1160 CG PHE A 608 5.158 2.677 -2.347 1.00 0.00 C ATOM 1161 CD1 PHE A 608 5.900 1.704 -2.941 1.00 0.00 C ATOM 1162 CD2 PHE A 608 4.801 2.556 -1.040 1.00 0.00 C ATOM 1163 CE1 PHE A 608 6.300 0.562 -2.198 1.00 0.00 C ATOM 1164 CE2 PHE A 608 5.201 1.414 -0.297 1.00 0.00 C ATOM 1165 CZ PHE A 608 5.942 0.441 -0.892 1.00 0.00 C ATOM 0 H PHE A 608 6.301 5.485 -1.689 1.00 0.00 H new ATOM 0 HA PHE A 608 6.456 4.306 -4.422 1.00 0.00 H new ATOM 0 HB2 PHE A 608 4.058 4.511 -2.533 1.00 0.00 H new ATOM 0 HB3 PHE A 608 4.155 3.581 -4.015 1.00 0.00 H new ATOM 0 HD1 PHE A 608 6.185 1.800 -3.978 1.00 0.00 H new ATOM 0 HD2 PHE A 608 4.213 3.329 -0.567 1.00 0.00 H new ATOM 0 HE1 PHE A 608 6.889 -0.211 -2.670 1.00 0.00 H new ATOM 0 HE2 PHE A 608 4.917 1.318 0.741 1.00 0.00 H new ATOM 0 HZ PHE A 608 6.246 -0.428 -0.327 1.00 0.00 H new ATOM 1175 N SER A 609 5.235 6.178 -5.471 1.00 0.00 N ATOM 1176 CA SER A 609 4.723 7.376 -6.117 1.00 0.00 C ATOM 1177 C SER A 609 3.375 7.079 -6.776 1.00 0.00 C ATOM 1178 O SER A 609 2.997 5.919 -6.931 1.00 0.00 O ATOM 1179 CB SER A 609 5.715 7.909 -7.152 1.00 0.00 C ATOM 1180 OG SER A 609 5.478 9.280 -7.461 1.00 0.00 O ATOM 0 H SER A 609 5.500 5.429 -6.110 1.00 0.00 H new ATOM 0 HA SER A 609 4.586 8.144 -5.356 1.00 0.00 H new ATOM 0 HB2 SER A 609 6.731 7.793 -6.774 1.00 0.00 H new ATOM 0 HB3 SER A 609 5.644 7.314 -8.063 1.00 0.00 H new ATOM 0 HG SER A 609 6.143 9.838 -7.006 1.00 0.00 H new ATOM 1186 N THR A 610 2.686 8.149 -7.147 1.00 0.00 N ATOM 1187 CA THR A 610 1.388 8.018 -7.786 1.00 0.00 C ATOM 1188 C THR A 610 1.495 7.143 -9.037 1.00 0.00 C ATOM 1189 O THR A 610 2.584 6.958 -9.578 1.00 0.00 O ATOM 1190 CB THR A 610 0.858 9.424 -8.072 1.00 0.00 C ATOM 1191 OG1 THR A 610 1.908 10.048 -8.807 1.00 0.00 O ATOM 1192 CG2 THR A 610 0.734 10.273 -6.805 1.00 0.00 C ATOM 0 H THR A 610 3.003 9.110 -7.017 1.00 0.00 H new ATOM 0 HA THR A 610 0.676 7.513 -7.134 1.00 0.00 H new ATOM 0 HB THR A 610 -0.115 9.353 -8.557 1.00 0.00 H new ATOM 0 HG1 THR A 610 1.647 10.965 -9.036 1.00 0.00 H new ATOM 0 HG21 THR A 610 0.354 11.261 -7.065 1.00 0.00 H new ATOM 0 HG22 THR A 610 0.047 9.791 -6.110 1.00 0.00 H new ATOM 0 HG23 THR A 610 1.713 10.373 -6.337 1.00 0.00 H new ATOM 1200 N GLY A 611 0.350 6.627 -9.459 1.00 0.00 N ATOM 1201 CA GLY A 611 0.301 5.776 -10.635 1.00 0.00 C ATOM 1202 C GLY A 611 -0.195 4.373 -10.277 1.00 0.00 C ATOM 1203 O GLY A 611 -1.253 4.222 -9.667 1.00 0.00 O ATOM 0 H GLY A 611 -0.551 6.782 -9.007 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -0.358 6.219 -11.382 1.00 0.00 H new ATOM 0 HA3 GLY A 611 1.293 5.712 -11.083 1.00 0.00 H new ATOM 1207 N THR A 612 0.592 3.383 -10.672 1.00 0.00 N ATOM 1208 CA THR A 612 0.246 1.998 -10.400 1.00 0.00 C ATOM 1209 C THR A 612 1.419 1.276 -9.735 1.00 0.00 C ATOM 1210 O THR A 612 2.562 1.409 -10.171 1.00 0.00 O ATOM 1211 CB THR A 612 -0.198 1.355 -11.715 1.00 0.00 C ATOM 1212 OG1 THR A 612 -0.948 2.377 -12.366 1.00 0.00 O ATOM 1213 CG2 THR A 612 -1.210 0.227 -11.504 1.00 0.00 C ATOM 0 H THR A 612 1.468 3.512 -11.178 1.00 0.00 H new ATOM 0 HA THR A 612 -0.580 1.928 -9.692 1.00 0.00 H new ATOM 0 HB THR A 612 0.674 0.966 -12.241 1.00 0.00 H new ATOM 0 HG1 THR A 612 -1.273 2.045 -13.229 1.00 0.00 H new ATOM 0 HG21 THR A 612 -1.492 -0.194 -12.469 1.00 0.00 H new ATOM 0 HG22 THR A 612 -0.764 -0.551 -10.885 1.00 0.00 H new ATOM 0 HG23 THR A 612 -2.097 0.622 -11.008 1.00 0.00 H new ATOM 1221 N SER A 613 1.097 0.526 -8.692 1.00 0.00 N ATOM 1222 CA SER A 613 2.110 -0.218 -7.963 1.00 0.00 C ATOM 1223 C SER A 613 1.594 -1.619 -7.632 1.00 0.00 C ATOM 1224 O SER A 613 0.386 -1.849 -7.605 1.00 0.00 O ATOM 1225 CB SER A 613 2.516 0.514 -6.682 1.00 0.00 C ATOM 1226 OG SER A 613 2.785 1.893 -6.917 1.00 0.00 O ATOM 0 H SER A 613 0.148 0.417 -8.334 1.00 0.00 H new ATOM 0 HA SER A 613 2.993 -0.303 -8.596 1.00 0.00 H new ATOM 0 HB2 SER A 613 1.720 0.421 -5.943 1.00 0.00 H new ATOM 0 HB3 SER A 613 3.401 0.039 -6.258 1.00 0.00 H new ATOM 0 HG SER A 613 3.039 2.325 -6.075 1.00 0.00 H new ATOM 1232 N THR A 614 2.535 -2.520 -7.390 1.00 0.00 N ATOM 1233 CA THR A 614 2.190 -3.893 -7.062 1.00 0.00 C ATOM 1234 C THR A 614 2.989 -4.369 -5.848 1.00 0.00 C ATOM 1235 O THR A 614 4.214 -4.465 -5.905 1.00 0.00 O ATOM 1236 CB THR A 614 2.416 -4.748 -8.311 1.00 0.00 C ATOM 1237 OG1 THR A 614 1.913 -3.946 -9.376 1.00 0.00 O ATOM 1238 CG2 THR A 614 1.532 -5.996 -8.334 1.00 0.00 C ATOM 0 H THR A 614 3.536 -2.326 -7.415 1.00 0.00 H new ATOM 0 HA THR A 614 1.142 -3.979 -6.776 1.00 0.00 H new ATOM 0 HB THR A 614 3.464 -5.045 -8.363 1.00 0.00 H new ATOM 0 HG1 THR A 614 2.616 -3.338 -9.688 1.00 0.00 H new ATOM 0 HG21 THR A 614 1.732 -6.567 -9.241 1.00 0.00 H new ATOM 0 HG22 THR A 614 1.750 -6.612 -7.462 1.00 0.00 H new ATOM 0 HG23 THR A 614 0.483 -5.699 -8.316 1.00 0.00 H new ATOM 1246 N TYR A 615 2.264 -4.653 -4.776 1.00 0.00 N ATOM 1247 CA TYR A 615 2.890 -5.116 -3.550 1.00 0.00 C ATOM 1248 C TYR A 615 2.824 -6.641 -3.442 1.00 0.00 C ATOM 1249 O TYR A 615 1.738 -7.216 -3.375 1.00 0.00 O ATOM 1250 CB TYR A 615 2.082 -4.500 -2.405 1.00 0.00 C ATOM 1251 CG TYR A 615 2.923 -3.695 -1.413 1.00 0.00 C ATOM 1252 CD1 TYR A 615 4.215 -4.087 -1.127 1.00 0.00 C ATOM 1253 CD2 TYR A 615 2.389 -2.578 -0.803 1.00 0.00 C ATOM 1254 CE1 TYR A 615 5.007 -3.329 -0.192 1.00 0.00 C ATOM 1255 CE2 TYR A 615 3.181 -1.820 0.131 1.00 0.00 C ATOM 1256 CZ TYR A 615 4.451 -2.233 0.390 1.00 0.00 C ATOM 1257 OH TYR A 615 5.198 -1.518 1.273 1.00 0.00 O ATOM 0 H TYR A 615 1.248 -4.571 -4.731 1.00 0.00 H new ATOM 0 HA TYR A 615 3.941 -4.827 -3.523 1.00 0.00 H new ATOM 0 HB2 TYR A 615 1.313 -3.851 -2.825 1.00 0.00 H new ATOM 0 HB3 TYR A 615 1.568 -5.297 -1.867 1.00 0.00 H new ATOM 0 HD1 TYR A 615 4.632 -4.962 -1.604 1.00 0.00 H new ATOM 0 HD2 TYR A 615 1.377 -2.272 -1.026 1.00 0.00 H new ATOM 0 HE1 TYR A 615 6.019 -3.625 0.041 1.00 0.00 H new ATOM 0 HE2 TYR A 615 2.776 -0.944 0.615 1.00 0.00 H new ATOM 0 HH TYR A 615 5.245 -0.584 0.980 1.00 0.00 H new ATOM 1267 N THR A 616 3.999 -7.253 -3.429 1.00 0.00 N ATOM 1268 CA THR A 616 4.088 -8.700 -3.330 1.00 0.00 C ATOM 1269 C THR A 616 4.816 -9.103 -2.046 1.00 0.00 C ATOM 1270 O THR A 616 5.994 -8.794 -1.873 1.00 0.00 O ATOM 1271 CB THR A 616 4.764 -9.219 -4.601 1.00 0.00 C ATOM 1272 OG1 THR A 616 3.788 -9.020 -5.620 1.00 0.00 O ATOM 1273 CG2 THR A 616 4.972 -10.735 -4.575 1.00 0.00 C ATOM 0 H THR A 616 4.897 -6.773 -3.485 1.00 0.00 H new ATOM 0 HA THR A 616 3.099 -9.154 -3.261 1.00 0.00 H new ATOM 0 HB THR A 616 5.726 -8.722 -4.730 1.00 0.00 H new ATOM 0 HG1 THR A 616 4.145 -9.328 -6.479 1.00 0.00 H new ATOM 0 HG21 THR A 616 5.455 -11.052 -5.499 1.00 0.00 H new ATOM 0 HG22 THR A 616 5.602 -11.001 -3.727 1.00 0.00 H new ATOM 0 HG23 THR A 616 4.007 -11.233 -4.480 1.00 0.00 H new ATOM 1281 N PRO A 617 4.065 -9.806 -1.157 1.00 0.00 N ATOM 1282 CA PRO A 617 4.627 -10.255 0.106 1.00 0.00 C ATOM 1283 C PRO A 617 5.560 -11.449 -0.103 1.00 0.00 C ATOM 1284 O PRO A 617 5.728 -11.921 -1.226 1.00 0.00 O ATOM 1285 CB PRO A 617 3.425 -10.585 0.976 1.00 0.00 C ATOM 1286 CG PRO A 617 2.253 -10.753 0.022 1.00 0.00 C ATOM 1287 CD PRO A 617 2.667 -10.190 -1.328 1.00 0.00 C ATOM 0 HA PRO A 617 5.251 -9.498 0.582 1.00 0.00 H new ATOM 0 HB2 PRO A 617 3.596 -11.496 1.549 1.00 0.00 H new ATOM 0 HB3 PRO A 617 3.233 -9.788 1.695 1.00 0.00 H new ATOM 0 HG2 PRO A 617 1.983 -11.805 -0.070 1.00 0.00 H new ATOM 0 HG3 PRO A 617 1.375 -10.230 0.401 1.00 0.00 H new ATOM 0 HD2 PRO A 617 2.554 -10.932 -2.118 1.00 0.00 H new ATOM 0 HD3 PRO A 617 2.052 -9.334 -1.605 1.00 0.00 H new ATOM 1295 N GLY A 618 6.141 -11.905 0.997 1.00 0.00 N ATOM 1296 CA GLY A 618 7.052 -13.035 0.949 1.00 0.00 C ATOM 1297 C GLY A 618 6.538 -14.191 1.809 1.00 0.00 C ATOM 1298 O GLY A 618 5.339 -14.294 2.065 1.00 0.00 O ATOM 0 H GLY A 618 5.998 -11.512 1.927 1.00 0.00 H new ATOM 0 HA2 GLY A 618 7.169 -13.368 -0.082 1.00 0.00 H new ATOM 0 HA3 GLY A 618 8.037 -12.727 1.299 1.00 0.00 H new ATOM 1302 N SER A 619 7.470 -15.033 2.232 1.00 0.00 N ATOM 1303 CA SER A 619 7.126 -16.178 3.058 1.00 0.00 C ATOM 1304 C SER A 619 8.039 -16.232 4.284 1.00 0.00 C ATOM 1305 O SER A 619 9.210 -15.862 4.207 1.00 0.00 O ATOM 1306 CB SER A 619 7.228 -17.481 2.262 1.00 0.00 C ATOM 1307 OG SER A 619 6.862 -18.614 3.046 1.00 0.00 O ATOM 0 H SER A 619 8.463 -14.945 2.018 1.00 0.00 H new ATOM 0 HA SER A 619 6.093 -16.065 3.387 1.00 0.00 H new ATOM 0 HB2 SER A 619 6.582 -17.422 1.386 1.00 0.00 H new ATOM 0 HB3 SER A 619 8.248 -17.605 1.899 1.00 0.00 H new ATOM 0 HG SER A 619 6.938 -19.426 2.503 1.00 0.00 H new ATOM 1313 N ASN A 620 7.469 -16.695 5.387 1.00 0.00 N ATOM 1314 CA ASN A 620 8.217 -16.802 6.628 1.00 0.00 C ATOM 1315 C ASN A 620 8.703 -15.413 7.047 1.00 0.00 C ATOM 1316 O ASN A 620 9.906 -15.171 7.132 1.00 0.00 O ATOM 1317 CB ASN A 620 9.444 -17.699 6.455 1.00 0.00 C ATOM 1318 CG ASN A 620 9.095 -19.164 6.729 1.00 0.00 C ATOM 1319 OD1 ASN A 620 8.733 -19.548 7.829 1.00 0.00 O ATOM 1320 ND2 ASN A 620 9.225 -19.957 5.669 1.00 0.00 N ATOM 0 H ASN A 620 6.498 -17.000 5.447 1.00 0.00 H new ATOM 0 HA ASN A 620 7.559 -17.232 7.383 1.00 0.00 H new ATOM 0 HB2 ASN A 620 9.833 -17.597 5.442 1.00 0.00 H new ATOM 0 HB3 ASN A 620 10.234 -17.376 7.134 1.00 0.00 H new ATOM 0 HD21 ASN A 620 9.017 -20.952 5.748 1.00 0.00 H new ATOM 0 HD22 ASN A 620 9.533 -19.570 4.777 1.00 0.00 H new ATOM 1327 N GLY A 621 7.742 -14.536 7.297 1.00 0.00 N ATOM 1328 CA GLY A 621 8.056 -13.177 7.705 1.00 0.00 C ATOM 1329 C GLY A 621 9.283 -12.650 6.958 1.00 0.00 C ATOM 1330 O GLY A 621 10.249 -12.208 7.578 1.00 0.00 O ATOM 0 H GLY A 621 6.745 -14.740 7.225 1.00 0.00 H new ATOM 0 HA2 GLY A 621 7.202 -12.529 7.511 1.00 0.00 H new ATOM 0 HA3 GLY A 621 8.240 -13.149 8.779 1.00 0.00 H new ATOM 1334 N ALA A 622 9.205 -12.715 5.637 1.00 0.00 N ATOM 1335 CA ALA A 622 10.297 -12.249 4.799 1.00 0.00 C ATOM 1336 C ALA A 622 9.776 -11.179 3.838 1.00 0.00 C ATOM 1337 O ALA A 622 9.094 -11.493 2.864 1.00 0.00 O ATOM 1338 CB ALA A 622 10.920 -13.439 4.065 1.00 0.00 C ATOM 0 H ALA A 622 8.403 -13.083 5.126 1.00 0.00 H new ATOM 0 HA ALA A 622 11.080 -11.794 5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 622 11.739 -13.090 3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 622 11.301 -14.156 4.792 1.00 0.00 H new ATOM 0 HB3 ALA A 622 10.164 -13.919 3.443 1.00 0.00 H new ATOM 1344 N ALA A 623 10.118 -9.936 4.146 1.00 0.00 N ATOM 1345 CA ALA A 623 9.693 -8.818 3.321 1.00 0.00 C ATOM 1346 C ALA A 623 9.774 -9.217 1.847 1.00 0.00 C ATOM 1347 O ALA A 623 10.666 -9.966 1.451 1.00 0.00 O ATOM 1348 CB ALA A 623 10.552 -7.592 3.642 1.00 0.00 C ATOM 0 H ALA A 623 10.684 -9.679 4.955 1.00 0.00 H new ATOM 0 HA ALA A 623 8.657 -8.556 3.534 1.00 0.00 H new ATOM 0 HB1 ALA A 623 10.234 -6.753 3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 623 10.436 -7.332 4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 623 11.599 -7.817 3.437 1.00 0.00 H new ATOM 1354 N GLY A 624 8.832 -8.698 1.074 1.00 0.00 N ATOM 1355 CA GLY A 624 8.785 -8.991 -0.349 1.00 0.00 C ATOM 1356 C GLY A 624 9.341 -7.824 -1.167 1.00 0.00 C ATOM 1357 O GLY A 624 10.389 -7.272 -0.836 1.00 0.00 O ATOM 0 H GLY A 624 8.095 -8.076 1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 624 9.361 -9.893 -0.558 1.00 0.00 H new ATOM 0 HA3 GLY A 624 7.757 -9.193 -0.649 1.00 0.00 H new ATOM 1361 N THR A 625 8.614 -7.483 -2.222 1.00 0.00 N ATOM 1362 CA THR A 625 9.021 -6.392 -3.090 1.00 0.00 C ATOM 1363 C THR A 625 7.798 -5.741 -3.737 1.00 0.00 C ATOM 1364 O THR A 625 6.712 -6.320 -3.744 1.00 0.00 O ATOM 1365 CB THR A 625 10.024 -6.944 -4.105 1.00 0.00 C ATOM 1366 OG1 THR A 625 9.454 -8.184 -4.517 1.00 0.00 O ATOM 1367 CG2 THR A 625 11.353 -7.341 -3.459 1.00 0.00 C ATOM 0 H THR A 625 7.746 -7.944 -2.495 1.00 0.00 H new ATOM 0 HA THR A 625 9.511 -5.599 -2.525 1.00 0.00 H new ATOM 0 HB THR A 625 10.205 -6.198 -4.879 1.00 0.00 H new ATOM 0 HG1 THR A 625 10.039 -8.610 -5.178 1.00 0.00 H new ATOM 0 HG21 THR A 625 12.028 -7.726 -4.223 1.00 0.00 H new ATOM 0 HG22 THR A 625 11.802 -6.468 -2.985 1.00 0.00 H new ATOM 0 HG23 THR A 625 11.177 -8.112 -2.709 1.00 0.00 H new ATOM 1375 N ILE A 626 8.014 -4.545 -4.266 1.00 0.00 N ATOM 1376 CA ILE A 626 6.942 -3.808 -4.914 1.00 0.00 C ATOM 1377 C ILE A 626 7.331 -3.522 -6.366 1.00 0.00 C ATOM 1378 O ILE A 626 8.408 -2.991 -6.630 1.00 0.00 O ATOM 1379 CB ILE A 626 6.593 -2.553 -4.112 1.00 0.00 C ATOM 1380 CG1 ILE A 626 7.131 -2.648 -2.683 1.00 0.00 C ATOM 1381 CG2 ILE A 626 5.087 -2.285 -4.141 1.00 0.00 C ATOM 1382 CD1 ILE A 626 8.577 -2.155 -2.607 1.00 0.00 C ATOM 0 H ILE A 626 8.916 -4.068 -4.259 1.00 0.00 H new ATOM 0 HA ILE A 626 6.030 -4.405 -4.939 1.00 0.00 H new ATOM 0 HB ILE A 626 7.081 -1.700 -4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 626 6.506 -2.056 -2.015 1.00 0.00 H new ATOM 0 HG13 ILE A 626 7.077 -3.681 -2.338 1.00 0.00 H new ATOM 0 HG21 ILE A 626 4.866 -1.387 -3.563 1.00 0.00 H new ATOM 0 HG22 ILE A 626 4.763 -2.142 -5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 626 4.558 -3.134 -3.708 1.00 0.00 H new ATOM 0 HD11 ILE A 626 8.935 -2.233 -1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 626 9.204 -2.765 -3.257 1.00 0.00 H new ATOM 0 HD13 ILE A 626 8.624 -1.115 -2.929 1.00 0.00 H new ATOM 1394 N ARG A 627 6.432 -3.887 -7.268 1.00 0.00 N ATOM 1395 CA ARG A 627 6.668 -3.676 -8.687 1.00 0.00 C ATOM 1396 C ARG A 627 5.692 -2.634 -9.238 1.00 0.00 C ATOM 1397 O ARG A 627 4.478 -2.791 -9.119 1.00 0.00 O ATOM 1398 CB ARG A 627 6.508 -4.979 -9.471 1.00 0.00 C ATOM 1399 CG ARG A 627 7.871 -5.584 -9.813 1.00 0.00 C ATOM 1400 CD ARG A 627 8.257 -6.670 -8.806 1.00 0.00 C ATOM 1401 NE ARG A 627 7.611 -7.951 -9.170 1.00 0.00 N ATOM 1402 CZ ARG A 627 7.971 -8.706 -10.229 1.00 0.00 C ATOM 1403 NH1 ARG A 627 8.978 -8.315 -11.039 1.00 0.00 N ATOM 1404 NH2 ARG A 627 7.324 -9.833 -10.461 1.00 0.00 N ATOM 0 H ARG A 627 5.539 -4.327 -7.045 1.00 0.00 H new ATOM 0 HA ARG A 627 7.691 -3.318 -8.804 1.00 0.00 H new ATOM 0 HB2 ARG A 627 5.927 -5.691 -8.885 1.00 0.00 H new ATOM 0 HB3 ARG A 627 5.950 -4.790 -10.388 1.00 0.00 H new ATOM 0 HG2 ARG A 627 7.843 -6.007 -10.817 1.00 0.00 H new ATOM 0 HG3 ARG A 627 8.630 -4.801 -9.818 1.00 0.00 H new ATOM 0 HD2 ARG A 627 9.340 -6.792 -8.787 1.00 0.00 H new ATOM 0 HD3 ARG A 627 7.953 -6.372 -7.803 1.00 0.00 H new ATOM 0 HE ARG A 627 6.846 -8.284 -8.584 1.00 0.00 H new ATOM 0 HH11 ARG A 627 9.473 -7.443 -10.853 1.00 0.00 H new ATOM 0 HH12 ARG A 627 9.244 -8.892 -11.837 1.00 0.00 H new ATOM 0 HH21 ARG A 627 6.565 -10.121 -9.844 1.00 0.00 H new ATOM 0 HH22 ARG A 627 7.583 -10.415 -11.257 1.00 0.00 H new ATOM 1417 N THR A 628 6.260 -1.593 -9.829 1.00 0.00 N ATOM 1418 CA THR A 628 5.455 -0.525 -10.398 1.00 0.00 C ATOM 1419 C THR A 628 4.843 -0.971 -11.728 1.00 0.00 C ATOM 1420 O THR A 628 5.432 -1.775 -12.448 1.00 0.00 O ATOM 1421 CB THR A 628 6.338 0.718 -10.522 1.00 0.00 C ATOM 1422 OG1 THR A 628 7.543 0.356 -9.852 1.00 0.00 O ATOM 1423 CG2 THR A 628 5.802 1.900 -9.713 1.00 0.00 C ATOM 0 H THR A 628 7.267 -1.466 -9.926 1.00 0.00 H new ATOM 0 HA THR A 628 4.611 -0.278 -9.753 1.00 0.00 H new ATOM 0 HB THR A 628 6.418 1.003 -11.571 1.00 0.00 H new ATOM 0 HG1 THR A 628 8.174 1.105 -9.886 1.00 0.00 H new ATOM 0 HG21 THR A 628 6.466 2.756 -9.836 1.00 0.00 H new ATOM 0 HG22 THR A 628 4.805 2.161 -10.067 1.00 0.00 H new ATOM 0 HG23 THR A 628 5.753 1.627 -8.659 1.00 0.00 H new ATOM 1431 N GLY A 629 3.668 -0.428 -12.013 1.00 0.00 N ATOM 1432 CA GLY A 629 2.970 -0.759 -13.243 1.00 0.00 C ATOM 1433 C GLY A 629 1.750 -1.639 -12.961 1.00 0.00 C ATOM 1434 O GLY A 629 1.809 -2.537 -12.123 1.00 0.00 O ATOM 0 H GLY A 629 3.182 0.239 -11.413 1.00 0.00 H new ATOM 0 HA2 GLY A 629 2.655 0.156 -13.744 1.00 0.00 H new ATOM 0 HA3 GLY A 629 3.647 -1.277 -13.922 1.00 0.00 H new ATOM 1438 N ALA A 630 0.673 -1.349 -13.678 1.00 0.00 N ATOM 1439 CA ALA A 630 -0.558 -2.103 -13.515 1.00 0.00 C ATOM 1440 C ALA A 630 -0.297 -3.575 -13.841 1.00 0.00 C ATOM 1441 O ALA A 630 0.118 -3.904 -14.951 1.00 0.00 O ATOM 1442 CB ALA A 630 -1.649 -1.494 -14.398 1.00 0.00 C ATOM 0 H ALA A 630 0.628 -0.603 -14.372 1.00 0.00 H new ATOM 0 HA ALA A 630 -0.906 -2.052 -12.483 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -2.573 -2.059 -14.276 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -1.817 -0.457 -14.106 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -1.336 -1.531 -15.441 1.00 0.00 H new ATOM 1448 N PRO A 631 -0.559 -4.443 -12.828 1.00 0.00 N ATOM 1449 CA PRO A 631 -0.357 -5.872 -12.995 1.00 0.00 C ATOM 1450 C PRO A 631 -1.466 -6.485 -13.853 1.00 0.00 C ATOM 1451 O PRO A 631 -2.534 -5.895 -14.007 1.00 0.00 O ATOM 1452 CB PRO A 631 -0.320 -6.433 -11.583 1.00 0.00 C ATOM 1453 CG PRO A 631 -0.963 -5.377 -10.699 1.00 0.00 C ATOM 1454 CD PRO A 631 -1.052 -4.088 -11.500 1.00 0.00 C ATOM 0 HA PRO A 631 0.565 -6.107 -13.526 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -0.863 -7.376 -11.523 1.00 0.00 H new ATOM 0 HB3 PRO A 631 0.704 -6.634 -11.269 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -1.955 -5.698 -10.381 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -0.373 -5.225 -9.795 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -2.077 -3.719 -11.543 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -0.448 -3.300 -11.051 1.00 0.00 H new ATOM 1462 N SER A 632 -1.174 -7.661 -14.389 1.00 0.00 N ATOM 1463 CA SER A 632 -2.133 -8.361 -15.227 1.00 0.00 C ATOM 1464 C SER A 632 -2.051 -9.867 -14.970 1.00 0.00 C ATOM 1465 O SER A 632 -1.342 -10.583 -15.675 1.00 0.00 O ATOM 1466 CB SER A 632 -1.892 -8.061 -16.708 1.00 0.00 C ATOM 1467 OG SER A 632 -2.987 -8.472 -17.521 1.00 0.00 O ATOM 0 H SER A 632 -0.287 -8.147 -14.259 1.00 0.00 H new ATOM 0 HA SER A 632 -3.132 -8.009 -14.971 1.00 0.00 H new ATOM 0 HB2 SER A 632 -1.725 -6.992 -16.839 1.00 0.00 H new ATOM 0 HB3 SER A 632 -0.985 -8.568 -17.038 1.00 0.00 H new ATOM 0 HG SER A 632 -2.795 -8.262 -18.459 1.00 0.00 H new ATOM 1473 N GLY A 633 -2.788 -10.303 -13.959 1.00 0.00 N ATOM 1474 CA GLY A 633 -2.808 -11.711 -13.601 1.00 0.00 C ATOM 1475 C GLY A 633 -4.001 -12.029 -12.696 1.00 0.00 C ATOM 1476 O GLY A 633 -3.952 -12.972 -11.908 1.00 0.00 O ATOM 0 H GLY A 633 -3.375 -9.706 -13.377 1.00 0.00 H new ATOM 0 HA2 GLY A 633 -2.860 -12.319 -14.504 1.00 0.00 H new ATOM 0 HA3 GLY A 633 -1.881 -11.974 -13.092 1.00 0.00 H new TER 1480 GLY A 633