USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=32 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 537 THR OG1 : rot 180:sc= -0.621 USER MOD Set 1.2: A 578 THR OG1 : rot 180:sc=-0.00527 USER MOD Set 2.1: A 545 ASN : amide:sc= -1.07 K(o=-0.039,f=-1.4!) USER MOD Set 2.2: A 546 SER OG : rot -37:sc= 1.03 USER MOD Single : A 532 THR OG1 : rot 180:sc= 0 USER MOD Single : A 533 THR OG1 : rot -43:sc= 1.08 USER MOD Single : A 534 ASN : amide:sc= -0.987 K(o=-0.99,f=-1.7) USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 539 TYR OH : rot 165:sc= -0.403 USER MOD Single : A 540 TYR OH : rot 180:sc= -0.0411 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 548 TYR OH : rot 180:sc= 0 USER MOD Single : A 550 HIS :FLIP no HE2:sc= -3.32! F(o=-5.2,f=-3.3!) USER MOD Single : A 551 TYR OH : rot 150:sc= -5.29! USER MOD Single : A 557 SER OG : rot 180:sc= -0.0584 USER MOD Single : A 559 THR OG1 : rot 180:sc= 0 USER MOD Single : A 565 LYS NZ :NH3+ -170:sc= -0.269 (180deg=-0.42) USER MOD Single : A 566 MET CE :methyl 141:sc= -5.83! (180deg=-8.71!) USER MOD Single : A 567 GLN : amide:sc= -0.371 K(o=-0.37,f=-3.1!) 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 75:sc= 1.07 USER MOD Single : A 585 SER OG : rot 180:sc= 0 USER MOD Single : A 586 GLN : amide:sc=-0.00127 X(o=-0.0013,f=0) USER MOD Single : A 592 ASN : amide:sc= -1.01 K(o=-1,f=-2.8) USER MOD Single : A 595 ASN : amide:sc= -0.162 K(o=-0.16,f=-4.2!) USER MOD Single : A 596 ASN : amide:sc= -0.237 K(o=-0.24,f=-2.6!) USER MOD Single : A 597 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 600 SER OG : rot 180:sc= 0 USER MOD Single : A 601 ASN : amide:sc= -1.23! C(o=-1.2!,f=-17!) USER MOD Single : A 602 ASN : amide:sc= -0.245 X(o=-0.25,f=-0.21) USER MOD Single : A 603 THR OG1 : rot 180:sc= 0 USER MOD Single : A 604 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 605 ASN : amide:sc= -13.8! C(o=-14!,f=-21!) USER MOD Single : A 606 TYR OH : rot 180:sc= 0 USER MOD Single : A 609 SER OG : rot 111:sc= 0.837 USER MOD Single : A 610 THR OG1 : rot 180:sc= 0 USER MOD Single : A 612 THR OG1 : rot 180:sc= -0.0403 USER MOD Single : A 613 SER OG : rot 180:sc= 0 USER MOD Single : A 614 THR OG1 : rot 116:sc= -1.24 USER MOD Single : A 615 TYR OH : rot -112:sc= 0.266 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= -0.353 K(o=-0.35,f=-2.8!) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 628 THR OG1 : rot 95:sc= 0.171 USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 530 -0.062 21.873 -4.729 1.00 0.00 N ATOM 2 CA GLY A 530 0.670 21.654 -5.965 1.00 0.00 C ATOM 3 C GLY A 530 -0.259 21.756 -7.177 1.00 0.00 C ATOM 4 O GLY A 530 -0.392 22.824 -7.773 1.00 0.00 O ATOM 0 HA2 GLY A 530 1.471 22.388 -6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 530 1.140 20.671 -5.944 1.00 0.00 H new ATOM 8 N GLY A 531 -0.877 20.631 -7.505 1.00 0.00 N ATOM 9 CA GLY A 531 -1.789 20.580 -8.635 1.00 0.00 C ATOM 10 C GLY A 531 -2.994 19.689 -8.328 1.00 0.00 C ATOM 11 O GLY A 531 -3.307 19.443 -7.164 1.00 0.00 O ATOM 0 H GLY A 531 -0.764 19.748 -7.008 1.00 0.00 H new ATOM 0 HA2 GLY A 531 -2.129 21.587 -8.878 1.00 0.00 H new ATOM 0 HA3 GLY A 531 -1.266 20.200 -9.512 1.00 0.00 H new ATOM 15 N THR A 532 -3.637 19.230 -9.391 1.00 0.00 N ATOM 16 CA THR A 532 -4.801 18.372 -9.249 1.00 0.00 C ATOM 17 C THR A 532 -4.509 17.236 -8.267 1.00 0.00 C ATOM 18 O THR A 532 -3.394 16.718 -8.225 1.00 0.00 O ATOM 19 CB THR A 532 -5.200 17.883 -10.643 1.00 0.00 C ATOM 20 OG1 THR A 532 -4.084 17.108 -11.072 1.00 0.00 O ATOM 21 CG2 THR A 532 -5.278 19.021 -11.663 1.00 0.00 C ATOM 0 H THR A 532 -3.374 19.436 -10.355 1.00 0.00 H new ATOM 0 HA THR A 532 -5.645 18.916 -8.826 1.00 0.00 H new ATOM 0 HB THR A 532 -6.165 17.379 -10.588 1.00 0.00 H new ATOM 0 HG1 THR A 532 -4.259 16.751 -11.968 1.00 0.00 H new ATOM 0 HG21 THR A 532 -5.565 18.619 -12.635 1.00 0.00 H new ATOM 0 HG22 THR A 532 -6.020 19.750 -11.338 1.00 0.00 H new ATOM 0 HG23 THR A 532 -4.305 19.505 -11.743 1.00 0.00 H new ATOM 29 N THR A 533 -5.531 16.881 -7.502 1.00 0.00 N ATOM 30 CA THR A 533 -5.398 15.815 -6.524 1.00 0.00 C ATOM 31 C THR A 533 -5.034 14.499 -7.214 1.00 0.00 C ATOM 32 O THR A 533 -5.754 14.039 -8.099 1.00 0.00 O ATOM 33 CB THR A 533 -6.700 15.742 -5.724 1.00 0.00 C ATOM 34 OG1 THR A 533 -6.271 15.620 -4.371 1.00 0.00 O ATOM 35 CG2 THR A 533 -7.477 14.450 -5.986 1.00 0.00 C ATOM 0 H THR A 533 -6.454 17.313 -7.540 1.00 0.00 H new ATOM 0 HA THR A 533 -4.583 16.016 -5.829 1.00 0.00 H new ATOM 0 HB THR A 533 -7.326 16.599 -5.972 1.00 0.00 H new ATOM 0 HG1 THR A 533 -5.531 14.980 -4.319 1.00 0.00 H new ATOM 0 HG21 THR A 533 -8.392 14.449 -5.394 1.00 0.00 H new ATOM 0 HG22 THR A 533 -7.730 14.386 -7.044 1.00 0.00 H new ATOM 0 HG23 THR A 533 -6.863 13.593 -5.707 1.00 0.00 H new ATOM 43 N ASN A 534 -3.918 13.931 -6.783 1.00 0.00 N ATOM 44 CA ASN A 534 -3.450 12.677 -7.348 1.00 0.00 C ATOM 45 C ASN A 534 -3.875 11.522 -6.439 1.00 0.00 C ATOM 46 O ASN A 534 -4.437 11.745 -5.368 1.00 0.00 O ATOM 47 CB ASN A 534 -1.924 12.656 -7.456 1.00 0.00 C ATOM 48 CG ASN A 534 -1.479 12.482 -8.910 1.00 0.00 C ATOM 49 OD1 ASN A 534 -2.123 11.820 -9.708 1.00 0.00 O ATOM 50 ND2 ASN A 534 -0.346 13.110 -9.208 1.00 0.00 N ATOM 0 H ASN A 534 -3.324 14.316 -6.049 1.00 0.00 H new ATOM 0 HA ASN A 534 -3.883 12.574 -8.343 1.00 0.00 H new ATOM 0 HB2 ASN A 534 -1.515 13.583 -7.055 1.00 0.00 H new ATOM 0 HB3 ASN A 534 -1.524 11.843 -6.850 1.00 0.00 H new ATOM 0 HD21 ASN A 534 0.035 13.055 -10.153 1.00 0.00 H new ATOM 0 HD22 ASN A 534 0.143 13.647 -8.492 1.00 0.00 H new ATOM 57 N LYS A 535 -3.590 10.313 -6.899 1.00 0.00 N ATOM 58 CA LYS A 535 -3.935 9.123 -6.141 1.00 0.00 C ATOM 59 C LYS A 535 -2.862 8.054 -6.360 1.00 0.00 C ATOM 60 O LYS A 535 -2.179 8.056 -7.382 1.00 0.00 O ATOM 61 CB LYS A 535 -5.349 8.655 -6.491 1.00 0.00 C ATOM 62 CG LYS A 535 -6.391 9.690 -6.061 1.00 0.00 C ATOM 63 CD LYS A 535 -6.713 10.653 -7.205 1.00 0.00 C ATOM 64 CE LYS A 535 -8.220 10.891 -7.314 1.00 0.00 C ATOM 65 NZ LYS A 535 -8.580 11.323 -8.683 1.00 0.00 N ATOM 0 H LYS A 535 -3.124 10.132 -7.788 1.00 0.00 H new ATOM 0 HA LYS A 535 -3.952 9.344 -5.074 1.00 0.00 H new ATOM 0 HB2 LYS A 535 -5.424 8.483 -7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 535 -5.553 7.703 -6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 535 -7.301 9.183 -5.741 1.00 0.00 H new ATOM 0 HG3 LYS A 535 -6.019 10.250 -5.203 1.00 0.00 H new ATOM 0 HD2 LYS A 535 -6.202 11.602 -7.041 1.00 0.00 H new ATOM 0 HD3 LYS A 535 -6.337 10.247 -8.144 1.00 0.00 H new ATOM 0 HE2 LYS A 535 -8.757 9.977 -7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 535 -8.527 11.650 -6.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 -9.607 11.480 -8.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 -8.082 12.207 -8.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 -8.305 10.586 -9.363 1.00 0.00 H new ATOM 78 N VAL A 536 -2.748 7.166 -5.383 1.00 0.00 N ATOM 79 CA VAL A 536 -1.770 6.094 -5.456 1.00 0.00 C ATOM 80 C VAL A 536 -2.490 4.747 -5.368 1.00 0.00 C ATOM 81 O VAL A 536 -3.061 4.411 -4.331 1.00 0.00 O ATOM 82 CB VAL A 536 -0.710 6.278 -4.369 1.00 0.00 C ATOM 83 CG1 VAL A 536 0.016 7.616 -4.531 1.00 0.00 C ATOM 84 CG2 VAL A 536 -1.327 6.155 -2.974 1.00 0.00 C ATOM 0 H VAL A 536 -3.317 7.167 -4.536 1.00 0.00 H new ATOM 0 HA VAL A 536 -1.244 6.120 -6.411 1.00 0.00 H new ATOM 0 HB VAL A 536 0.026 5.482 -4.481 1.00 0.00 H new ATOM 0 HG11 VAL A 536 0.764 7.721 -3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 536 0.505 7.649 -5.505 1.00 0.00 H new ATOM 0 HG13 VAL A 536 -0.704 8.432 -4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 536 -0.552 6.290 -2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -2.094 6.919 -2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -1.776 5.168 -2.860 1.00 0.00 H new ATOM 94 N THR A 537 -2.438 4.011 -6.468 1.00 0.00 N ATOM 95 CA THR A 537 -3.078 2.708 -6.528 1.00 0.00 C ATOM 96 C THR A 537 -2.034 1.596 -6.405 1.00 0.00 C ATOM 97 O THR A 537 -1.111 1.513 -7.213 1.00 0.00 O ATOM 98 CB THR A 537 -3.889 2.638 -7.823 1.00 0.00 C ATOM 99 OG1 THR A 537 -4.967 3.545 -7.607 1.00 0.00 O ATOM 100 CG2 THR A 537 -4.575 1.284 -8.013 1.00 0.00 C ATOM 0 H THR A 537 -1.962 4.292 -7.325 1.00 0.00 H new ATOM 0 HA THR A 537 -3.762 2.564 -5.691 1.00 0.00 H new ATOM 0 HB THR A 537 -3.234 2.835 -8.672 1.00 0.00 H new ATOM 0 HG1 THR A 537 -5.543 3.563 -8.400 1.00 0.00 H new ATOM 0 HG21 THR A 537 -5.137 1.289 -8.947 1.00 0.00 H new ATOM 0 HG22 THR A 537 -3.822 0.496 -8.046 1.00 0.00 H new ATOM 0 HG23 THR A 537 -5.255 1.101 -7.181 1.00 0.00 H new ATOM 108 N VAL A 538 -2.216 0.768 -5.386 1.00 0.00 N ATOM 109 CA VAL A 538 -1.302 -0.335 -5.146 1.00 0.00 C ATOM 110 C VAL A 538 -2.097 -1.639 -5.047 1.00 0.00 C ATOM 111 O VAL A 538 -3.088 -1.712 -4.323 1.00 0.00 O ATOM 112 CB VAL A 538 -0.458 -0.055 -3.901 1.00 0.00 C ATOM 113 CG1 VAL A 538 0.840 -0.864 -3.924 1.00 0.00 C ATOM 114 CG2 VAL A 538 -0.168 1.441 -3.760 1.00 0.00 C ATOM 0 H VAL A 538 -2.983 0.839 -4.718 1.00 0.00 H new ATOM 0 HA VAL A 538 -0.606 -0.440 -5.978 1.00 0.00 H new ATOM 0 HB VAL A 538 -1.033 -0.369 -3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 538 1.421 -0.646 -3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 538 0.605 -1.928 -3.954 1.00 0.00 H new ATOM 0 HG13 VAL A 538 1.421 -0.595 -4.807 1.00 0.00 H new ATOM 0 HG21 VAL A 538 0.433 1.612 -2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 538 0.377 1.790 -4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 538 -1.107 1.987 -3.675 1.00 0.00 H new ATOM 124 N TYR A 539 -1.633 -2.635 -5.787 1.00 0.00 N ATOM 125 CA TYR A 539 -2.288 -3.932 -5.792 1.00 0.00 C ATOM 126 C TYR A 539 -1.455 -4.971 -5.039 1.00 0.00 C ATOM 127 O TYR A 539 -0.286 -5.182 -5.357 1.00 0.00 O ATOM 128 CB TYR A 539 -2.392 -4.346 -7.261 1.00 0.00 C ATOM 129 CG TYR A 539 -3.754 -4.056 -7.895 1.00 0.00 C ATOM 130 CD1 TYR A 539 -4.247 -2.767 -7.910 1.00 0.00 C ATOM 131 CD2 TYR A 539 -4.489 -5.083 -8.452 1.00 0.00 C ATOM 132 CE1 TYR A 539 -5.529 -2.494 -8.507 1.00 0.00 C ATOM 133 CE2 TYR A 539 -5.771 -4.809 -9.049 1.00 0.00 C ATOM 134 CZ TYR A 539 -6.228 -3.528 -9.046 1.00 0.00 C ATOM 135 OH TYR A 539 -7.438 -3.270 -9.610 1.00 0.00 O ATOM 0 H TYR A 539 -0.811 -2.570 -6.387 1.00 0.00 H new ATOM 0 HA TYR A 539 -3.261 -3.872 -5.304 1.00 0.00 H new ATOM 0 HB2 TYR A 539 -1.620 -3.827 -7.829 1.00 0.00 H new ATOM 0 HB3 TYR A 539 -2.185 -5.413 -7.343 1.00 0.00 H new ATOM 0 HD1 TYR A 539 -3.672 -1.963 -7.474 1.00 0.00 H new ATOM 0 HD2 TYR A 539 -4.103 -6.092 -8.440 1.00 0.00 H new ATOM 0 HE1 TYR A 539 -5.926 -1.490 -8.526 1.00 0.00 H new ATOM 0 HE2 TYR A 539 -6.356 -5.603 -9.489 1.00 0.00 H new ATOM 0 HH TYR A 539 -7.713 -4.034 -10.159 1.00 0.00 H new ATOM 145 N TYR A 540 -2.090 -5.592 -4.056 1.00 0.00 N ATOM 146 CA TYR A 540 -1.421 -6.603 -3.255 1.00 0.00 C ATOM 147 C TYR A 540 -2.045 -7.982 -3.482 1.00 0.00 C ATOM 148 O TYR A 540 -3.264 -8.108 -3.577 1.00 0.00 O ATOM 149 CB TYR A 540 -1.634 -6.195 -1.796 1.00 0.00 C ATOM 150 CG TYR A 540 -1.256 -7.279 -0.785 1.00 0.00 C ATOM 151 CD1 TYR A 540 0.072 -7.575 -0.555 1.00 0.00 C ATOM 152 CD2 TYR A 540 -2.243 -7.961 -0.103 1.00 0.00 C ATOM 153 CE1 TYR A 540 0.428 -8.595 0.397 1.00 0.00 C ATOM 154 CE2 TYR A 540 -1.887 -8.981 0.849 1.00 0.00 C ATOM 155 CZ TYR A 540 -0.569 -9.248 1.052 1.00 0.00 C ATOM 156 OH TYR A 540 -0.233 -10.212 1.951 1.00 0.00 O ATOM 0 H TYR A 540 -3.060 -5.415 -3.796 1.00 0.00 H new ATOM 0 HA TYR A 540 -0.366 -6.667 -3.521 1.00 0.00 H new ATOM 0 HB2 TYR A 540 -1.047 -5.300 -1.590 1.00 0.00 H new ATOM 0 HB3 TYR A 540 -2.681 -5.929 -1.653 1.00 0.00 H new ATOM 0 HD1 TYR A 540 0.844 -7.042 -1.089 1.00 0.00 H new ATOM 0 HD2 TYR A 540 -3.282 -7.730 -0.283 1.00 0.00 H new ATOM 0 HE1 TYR A 540 1.464 -8.836 0.587 1.00 0.00 H new ATOM 0 HE2 TYR A 540 -2.650 -9.522 1.390 1.00 0.00 H new ATOM 0 HH TYR A 540 -1.047 -10.592 2.343 1.00 0.00 H new ATOM 166 N LYS A 541 -1.179 -8.982 -3.562 1.00 0.00 N ATOM 167 CA LYS A 541 -1.629 -10.347 -3.776 1.00 0.00 C ATOM 168 C LYS A 541 -1.980 -10.980 -2.429 1.00 0.00 C ATOM 169 O LYS A 541 -1.103 -11.206 -1.597 1.00 0.00 O ATOM 170 CB LYS A 541 -0.588 -11.135 -4.574 1.00 0.00 C ATOM 171 CG LYS A 541 -1.136 -12.503 -4.987 1.00 0.00 C ATOM 172 CD LYS A 541 -0.451 -13.005 -6.260 1.00 0.00 C ATOM 173 CE LYS A 541 -1.001 -14.371 -6.676 1.00 0.00 C ATOM 174 NZ LYS A 541 -0.532 -14.728 -8.033 1.00 0.00 N ATOM 0 H LYS A 541 -0.168 -8.874 -3.482 1.00 0.00 H new ATOM 0 HA LYS A 541 -2.536 -10.359 -4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -0.301 -10.571 -5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 541 0.313 -11.266 -3.974 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -0.982 -13.219 -4.180 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -2.211 -12.434 -5.151 1.00 0.00 H new ATOM 0 HD2 LYS A 541 -0.602 -12.287 -7.066 1.00 0.00 H new ATOM 0 HD3 LYS A 541 0.624 -13.077 -6.095 1.00 0.00 H new ATOM 0 HE2 LYS A 541 -0.681 -15.131 -5.963 1.00 0.00 H new ATOM 0 HE3 LYS A 541 -2.091 -14.353 -6.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 -0.915 -15.658 -8.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 -0.858 -14.012 -8.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 0.507 -14.766 -8.042 1.00 0.00 H new ATOM 187 N LYS A 542 -3.266 -11.250 -2.255 1.00 0.00 N ATOM 188 CA LYS A 542 -3.744 -11.853 -1.023 1.00 0.00 C ATOM 189 C LYS A 542 -3.574 -13.371 -1.103 1.00 0.00 C ATOM 190 O LYS A 542 -3.846 -13.976 -2.139 1.00 0.00 O ATOM 191 CB LYS A 542 -5.180 -11.410 -0.731 1.00 0.00 C ATOM 192 CG LYS A 542 -5.925 -12.468 0.084 1.00 0.00 C ATOM 193 CD LYS A 542 -6.855 -11.816 1.110 1.00 0.00 C ATOM 194 CE LYS A 542 -7.830 -10.852 0.431 1.00 0.00 C ATOM 195 NZ LYS A 542 -9.179 -10.975 1.026 1.00 0.00 N ATOM 0 H LYS A 542 -3.991 -11.062 -2.947 1.00 0.00 H new ATOM 0 HA LYS A 542 -3.150 -11.509 -0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 542 -5.169 -10.466 -0.185 1.00 0.00 H new ATOM 0 HB3 LYS A 542 -5.707 -11.230 -1.668 1.00 0.00 H new ATOM 0 HG2 LYS A 542 -6.504 -13.105 -0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 542 -5.208 -13.110 0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 542 -7.412 -12.587 1.643 1.00 0.00 H new ATOM 0 HD3 LYS A 542 -6.264 -11.279 1.852 1.00 0.00 H new ATOM 0 HE2 LYS A 542 -7.471 -9.828 0.537 1.00 0.00 H new ATOM 0 HE3 LYS A 542 -7.876 -11.065 -0.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 542 -9.828 -10.314 0.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 542 -9.525 -11.948 0.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 542 -9.133 -10.750 2.040 1.00 0.00 H new ATOM 208 N GLY A 543 -3.124 -13.944 0.003 1.00 0.00 N ATOM 209 CA GLY A 543 -2.826 -13.154 1.186 1.00 0.00 C ATOM 210 C GLY A 543 -2.883 -14.016 2.449 1.00 0.00 C ATOM 211 O GLY A 543 -2.320 -15.109 2.485 1.00 0.00 O ATOM 0 H GLY A 543 -2.958 -14.945 0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 543 -1.836 -12.708 1.090 1.00 0.00 H new ATOM 0 HA3 GLY A 543 -3.539 -12.333 1.269 1.00 0.00 H new ATOM 215 N PHE A 544 -3.567 -13.491 3.455 1.00 0.00 N ATOM 216 CA PHE A 544 -3.705 -14.199 4.717 1.00 0.00 C ATOM 217 C PHE A 544 -5.177 -14.463 5.039 1.00 0.00 C ATOM 218 O PHE A 544 -5.688 -15.550 4.775 1.00 0.00 O ATOM 219 CB PHE A 544 -3.112 -13.298 5.802 1.00 0.00 C ATOM 220 CG PHE A 544 -1.615 -13.512 6.039 1.00 0.00 C ATOM 221 CD1 PHE A 544 -1.142 -14.756 6.318 1.00 0.00 C ATOM 222 CD2 PHE A 544 -0.758 -12.459 5.970 1.00 0.00 C ATOM 223 CE1 PHE A 544 0.246 -14.955 6.537 1.00 0.00 C ATOM 224 CE2 PHE A 544 0.630 -12.657 6.190 1.00 0.00 C ATOM 225 CZ PHE A 544 1.103 -13.902 6.469 1.00 0.00 C ATOM 0 H PHE A 544 -4.032 -12.584 3.422 1.00 0.00 H new ATOM 0 HA PHE A 544 -3.194 -15.160 4.662 1.00 0.00 H new ATOM 0 HB2 PHE A 544 -3.281 -12.257 5.528 1.00 0.00 H new ATOM 0 HB3 PHE A 544 -3.646 -13.472 6.736 1.00 0.00 H new ATOM 0 HD1 PHE A 544 -1.823 -15.593 6.373 1.00 0.00 H new ATOM 0 HD2 PHE A 544 -1.134 -11.471 5.748 1.00 0.00 H new ATOM 0 HE1 PHE A 544 0.621 -15.943 6.758 1.00 0.00 H new ATOM 0 HE2 PHE A 544 1.310 -11.820 6.136 1.00 0.00 H new ATOM 0 HZ PHE A 544 2.159 -14.054 6.636 1.00 0.00 H new ATOM 235 N ASN A 545 -5.817 -13.450 5.604 1.00 0.00 N ATOM 236 CA ASN A 545 -7.221 -13.560 5.966 1.00 0.00 C ATOM 237 C ASN A 545 -7.850 -12.166 5.975 1.00 0.00 C ATOM 238 O ASN A 545 -8.918 -11.959 5.401 1.00 0.00 O ATOM 239 CB ASN A 545 -7.385 -14.162 7.362 1.00 0.00 C ATOM 240 CG ASN A 545 -6.464 -13.470 8.370 1.00 0.00 C ATOM 241 OD1 ASN A 545 -6.812 -12.478 8.988 1.00 0.00 O ATOM 242 ND2 ASN A 545 -5.273 -14.047 8.499 1.00 0.00 N ATOM 0 H ASN A 545 -5.390 -12.549 5.820 1.00 0.00 H new ATOM 0 HA ASN A 545 -7.708 -14.207 5.236 1.00 0.00 H new ATOM 0 HB2 ASN A 545 -8.422 -14.064 7.685 1.00 0.00 H new ATOM 0 HB3 ASN A 545 -7.160 -15.228 7.331 1.00 0.00 H new ATOM 0 HD21 ASN A 545 -4.586 -13.660 9.146 1.00 0.00 H new ATOM 0 HD22 ASN A 545 -5.046 -14.877 7.951 1.00 0.00 H new ATOM 249 N SER A 546 -7.162 -11.245 6.634 1.00 0.00 N ATOM 250 CA SER A 546 -7.641 -9.876 6.726 1.00 0.00 C ATOM 251 C SER A 546 -6.509 -8.955 7.185 1.00 0.00 C ATOM 252 O SER A 546 -6.606 -8.322 8.235 1.00 0.00 O ATOM 253 CB SER A 546 -8.831 -9.772 7.682 1.00 0.00 C ATOM 254 OG SER A 546 -8.546 -10.347 8.954 1.00 0.00 O ATOM 0 H SER A 546 -6.277 -11.420 7.109 1.00 0.00 H new ATOM 0 HA SER A 546 -7.976 -9.564 5.737 1.00 0.00 H new ATOM 0 HB2 SER A 546 -9.102 -8.724 7.810 1.00 0.00 H new ATOM 0 HB3 SER A 546 -9.694 -10.273 7.243 1.00 0.00 H new ATOM 0 HG SER A 546 -7.986 -11.143 8.835 1.00 0.00 H new ATOM 260 N PRO A 547 -5.433 -8.909 6.355 1.00 0.00 N ATOM 261 CA PRO A 547 -4.284 -8.076 6.665 1.00 0.00 C ATOM 262 C PRO A 547 -4.591 -6.600 6.406 1.00 0.00 C ATOM 263 O PRO A 547 -5.358 -6.271 5.503 1.00 0.00 O ATOM 264 CB PRO A 547 -3.162 -8.612 5.790 1.00 0.00 C ATOM 265 CG PRO A 547 -3.838 -9.415 4.690 1.00 0.00 C ATOM 266 CD PRO A 547 -5.283 -9.646 5.103 1.00 0.00 C ATOM 0 HA PRO A 547 -4.005 -8.119 7.718 1.00 0.00 H new ATOM 0 HB2 PRO A 547 -2.570 -7.798 5.372 1.00 0.00 H new ATOM 0 HB3 PRO A 547 -2.481 -9.237 6.368 1.00 0.00 H new ATOM 0 HG2 PRO A 547 -3.793 -8.878 3.743 1.00 0.00 H new ATOM 0 HG3 PRO A 547 -3.326 -10.366 4.542 1.00 0.00 H new ATOM 0 HD2 PRO A 547 -5.975 -9.282 4.344 1.00 0.00 H new ATOM 0 HD3 PRO A 547 -5.491 -10.707 5.241 1.00 0.00 H new ATOM 274 N TYR A 548 -3.975 -5.749 7.214 1.00 0.00 N ATOM 275 CA TYR A 548 -4.173 -4.316 7.084 1.00 0.00 C ATOM 276 C TYR A 548 -2.883 -3.622 6.640 1.00 0.00 C ATOM 277 O TYR A 548 -1.789 -4.142 6.856 1.00 0.00 O ATOM 278 CB TYR A 548 -4.554 -3.814 8.478 1.00 0.00 C ATOM 279 CG TYR A 548 -6.062 -3.761 8.730 1.00 0.00 C ATOM 280 CD1 TYR A 548 -6.724 -4.880 9.194 1.00 0.00 C ATOM 281 CD2 TYR A 548 -6.761 -2.595 8.492 1.00 0.00 C ATOM 282 CE1 TYR A 548 -8.143 -4.830 9.431 1.00 0.00 C ATOM 283 CE2 TYR A 548 -8.180 -2.545 8.729 1.00 0.00 C ATOM 284 CZ TYR A 548 -8.801 -3.665 9.187 1.00 0.00 C ATOM 285 OH TYR A 548 -10.142 -3.618 9.410 1.00 0.00 O ATOM 0 H TYR A 548 -3.338 -6.025 7.961 1.00 0.00 H new ATOM 0 HA TYR A 548 -4.939 -4.101 6.339 1.00 0.00 H new ATOM 0 HB2 TYR A 548 -4.094 -4.462 9.224 1.00 0.00 H new ATOM 0 HB3 TYR A 548 -4.137 -2.817 8.620 1.00 0.00 H new ATOM 0 HD1 TYR A 548 -6.177 -5.793 9.379 1.00 0.00 H new ATOM 0 HD2 TYR A 548 -6.243 -1.720 8.128 1.00 0.00 H new ATOM 0 HE1 TYR A 548 -8.673 -5.698 9.794 1.00 0.00 H new ATOM 0 HE2 TYR A 548 -8.739 -1.639 8.547 1.00 0.00 H new ATOM 0 HH TYR A 548 -10.478 -2.723 9.194 1.00 0.00 H new ATOM 295 N ILE A 549 -3.054 -2.460 6.029 1.00 0.00 N ATOM 296 CA ILE A 549 -1.917 -1.690 5.553 1.00 0.00 C ATOM 297 C ILE A 549 -2.010 -0.263 6.097 1.00 0.00 C ATOM 298 O ILE A 549 -3.095 0.314 6.154 1.00 0.00 O ATOM 299 CB ILE A 549 -1.822 -1.762 4.028 1.00 0.00 C ATOM 300 CG1 ILE A 549 -2.597 -0.615 3.375 1.00 0.00 C ATOM 301 CG2 ILE A 549 -2.280 -3.128 3.514 1.00 0.00 C ATOM 302 CD1 ILE A 549 -4.106 -0.849 3.469 1.00 0.00 C ATOM 0 H ILE A 549 -3.963 -2.032 5.852 1.00 0.00 H new ATOM 0 HA ILE A 549 -0.985 -2.114 5.927 1.00 0.00 H new ATOM 0 HB ILE A 549 -0.776 -1.646 3.746 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -2.340 0.326 3.862 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -2.304 -0.523 2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -2.202 -3.152 2.427 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -1.649 -3.908 3.940 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -3.316 -3.299 3.808 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -4.633 -0.019 2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -4.363 -1.778 2.960 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -4.399 -0.916 4.517 1.00 0.00 H new ATOM 314 N HIS A 550 -0.858 0.266 6.482 1.00 0.00 N ATOM 315 CA HIS A 550 -0.795 1.614 7.020 1.00 0.00 C ATOM 316 C HIS A 550 0.153 2.462 6.169 1.00 0.00 C ATOM 317 O HIS A 550 1.356 2.207 6.133 1.00 0.00 O ATOM 318 CB HIS A 550 -0.406 1.592 8.499 1.00 0.00 C ATOM 319 CG HIS A 550 -0.801 2.837 9.257 1.00 0.00 C ATOM 320 ND1 HIS A 550 -0.551 3.214 10.543 1.00 0.00 N flip ATOM 321 CD2 HIS A 550 -1.543 3.857 8.687 1.00 0.00 C flip ATOM 322 CE1 HIS A 550 -1.109 4.401 10.749 1.00 0.00 C flip ATOM 323 NE2 HIS A 550 -1.725 4.801 9.599 1.00 0.00 N flip ATOM 0 H HIS A 550 0.040 -0.215 6.432 1.00 0.00 H new ATOM 0 HA HIS A 550 -1.781 2.075 6.972 1.00 0.00 H new ATOM 0 HB2 HIS A 550 -0.871 0.728 8.973 1.00 0.00 H new ATOM 0 HB3 HIS A 550 0.673 1.458 8.578 1.00 0.00 H new ATOM 0 HD1 HIS A 550 -0.024 2.675 11.231 1.00 0.00 H new ATOM 0 HD2 HIS A 550 -1.911 3.880 7.672 1.00 0.00 H new ATOM 0 HE1 HIS A 550 -1.080 4.958 11.674 1.00 0.00 H new ATOM 331 N TYR A 551 -0.424 3.453 5.506 1.00 0.00 N ATOM 332 CA TYR A 551 0.355 4.340 4.659 1.00 0.00 C ATOM 333 C TYR A 551 0.129 5.804 5.043 1.00 0.00 C ATOM 334 O TYR A 551 -0.859 6.132 5.698 1.00 0.00 O ATOM 335 CB TYR A 551 -0.154 4.115 3.233 1.00 0.00 C ATOM 336 CG TYR A 551 -1.603 3.629 3.159 1.00 0.00 C ATOM 337 CD1 TYR A 551 -2.615 4.390 3.707 1.00 0.00 C ATOM 338 CD2 TYR A 551 -1.897 2.429 2.543 1.00 0.00 C ATOM 339 CE1 TYR A 551 -3.979 3.932 3.637 1.00 0.00 C ATOM 340 CE2 TYR A 551 -3.261 1.971 2.473 1.00 0.00 C ATOM 341 CZ TYR A 551 -4.234 2.745 3.024 1.00 0.00 C ATOM 342 OH TYR A 551 -5.522 2.313 2.958 1.00 0.00 O ATOM 0 H TYR A 551 -1.422 3.661 5.538 1.00 0.00 H new ATOM 0 HA TYR A 551 1.420 4.131 4.761 1.00 0.00 H new ATOM 0 HB2 TYR A 551 -0.065 5.047 2.675 1.00 0.00 H new ATOM 0 HB3 TYR A 551 0.489 3.386 2.740 1.00 0.00 H new ATOM 0 HD1 TYR A 551 -2.385 5.329 4.188 1.00 0.00 H new ATOM 0 HD2 TYR A 551 -1.105 1.834 2.114 1.00 0.00 H new ATOM 0 HE1 TYR A 551 -4.781 4.518 4.062 1.00 0.00 H new ATOM 0 HE2 TYR A 551 -3.505 1.034 1.994 1.00 0.00 H new ATOM 0 HH TYR A 551 -5.645 1.773 2.149 1.00 0.00 H new ATOM 352 N ARG A 552 1.061 6.644 4.619 1.00 0.00 N ATOM 353 CA ARG A 552 0.976 8.065 4.910 1.00 0.00 C ATOM 354 C ARG A 552 1.607 8.878 3.777 1.00 0.00 C ATOM 355 O ARG A 552 2.561 8.429 3.143 1.00 0.00 O ATOM 356 CB ARG A 552 1.684 8.401 6.224 1.00 0.00 C ATOM 357 CG ARG A 552 2.603 9.613 6.058 1.00 0.00 C ATOM 358 CD ARG A 552 3.060 10.144 7.418 1.00 0.00 C ATOM 359 NE ARG A 552 4.332 9.497 7.812 1.00 0.00 N ATOM 360 CZ ARG A 552 5.279 10.089 8.571 1.00 0.00 C ATOM 361 NH1 ARG A 552 5.106 11.349 9.024 1.00 0.00 N ATOM 362 NH2 ARG A 552 6.377 9.417 8.862 1.00 0.00 N ATOM 0 H ARG A 552 1.879 6.368 4.076 1.00 0.00 H new ATOM 0 HA ARG A 552 -0.079 8.322 5.002 1.00 0.00 H new ATOM 0 HB2 ARG A 552 0.944 8.605 6.998 1.00 0.00 H new ATOM 0 HB3 ARG A 552 2.266 7.542 6.558 1.00 0.00 H new ATOM 0 HG2 ARG A 552 3.472 9.336 5.461 1.00 0.00 H new ATOM 0 HG3 ARG A 552 2.080 10.399 5.514 1.00 0.00 H new ATOM 0 HD2 ARG A 552 3.192 11.225 7.370 1.00 0.00 H new ATOM 0 HD3 ARG A 552 2.295 9.949 8.170 1.00 0.00 H new ATOM 0 HE ARG A 552 4.504 8.545 7.490 1.00 0.00 H new ATOM 0 HH11 ARG A 552 4.255 11.861 8.793 1.00 0.00 H new ATOM 0 HH12 ARG A 552 5.827 11.788 9.597 1.00 0.00 H new ATOM 0 HH21 ARG A 552 6.500 8.466 8.515 1.00 0.00 H new ATOM 0 HH22 ARG A 552 7.103 9.849 9.434 1.00 0.00 H new ATOM 375 N PRO A 553 1.034 10.090 3.552 1.00 0.00 N ATOM 376 CA PRO A 553 1.530 10.970 2.507 1.00 0.00 C ATOM 377 C PRO A 553 2.846 11.630 2.925 1.00 0.00 C ATOM 378 O PRO A 553 3.062 11.899 4.105 1.00 0.00 O ATOM 379 CB PRO A 553 0.411 11.971 2.272 1.00 0.00 C ATOM 380 CG PRO A 553 -0.474 11.905 3.505 1.00 0.00 C ATOM 381 CD PRO A 553 -0.097 10.654 4.283 1.00 0.00 C ATOM 0 HA PRO A 553 1.769 10.437 1.587 1.00 0.00 H new ATOM 0 HB2 PRO A 553 0.809 12.976 2.131 1.00 0.00 H new ATOM 0 HB3 PRO A 553 -0.153 11.722 1.373 1.00 0.00 H new ATOM 0 HG2 PRO A 553 -0.337 12.794 4.121 1.00 0.00 H new ATOM 0 HG3 PRO A 553 -1.525 11.874 3.219 1.00 0.00 H new ATOM 0 HD2 PRO A 553 0.176 10.894 5.311 1.00 0.00 H new ATOM 0 HD3 PRO A 553 -0.929 9.951 4.330 1.00 0.00 H new ATOM 389 N ALA A 554 3.690 11.873 1.933 1.00 0.00 N ATOM 390 CA ALA A 554 4.978 12.497 2.183 1.00 0.00 C ATOM 391 C ALA A 554 4.782 14.002 2.378 1.00 0.00 C ATOM 392 O ALA A 554 5.281 14.804 1.590 1.00 0.00 O ATOM 393 CB ALA A 554 5.932 12.178 1.030 1.00 0.00 C ATOM 0 H ALA A 554 3.507 11.649 0.955 1.00 0.00 H new ATOM 0 HA ALA A 554 5.425 12.102 3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 554 6.898 12.646 1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 554 6.061 11.098 0.952 1.00 0.00 H new ATOM 0 HB3 ALA A 554 5.517 12.562 0.098 1.00 0.00 H new ATOM 399 N GLY A 555 4.054 14.339 3.432 1.00 0.00 N ATOM 400 CA GLY A 555 3.785 15.734 3.741 1.00 0.00 C ATOM 401 C GLY A 555 2.368 15.911 4.288 1.00 0.00 C ATOM 402 O GLY A 555 1.689 16.883 3.960 1.00 0.00 O ATOM 0 H GLY A 555 3.642 13.671 4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 555 4.509 16.094 4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 555 3.910 16.340 2.843 1.00 0.00 H new ATOM 406 N GLY A 556 1.963 14.957 5.114 1.00 0.00 N ATOM 407 CA GLY A 556 0.638 14.996 5.710 1.00 0.00 C ATOM 408 C GLY A 556 0.670 14.482 7.151 1.00 0.00 C ATOM 409 O GLY A 556 0.930 15.246 8.080 1.00 0.00 O ATOM 0 H GLY A 556 2.529 14.153 5.384 1.00 0.00 H new ATOM 0 HA2 GLY A 556 0.257 16.017 5.693 1.00 0.00 H new ATOM 0 HA3 GLY A 556 -0.049 14.390 5.119 1.00 0.00 H new ATOM 413 N SER A 557 0.403 13.192 7.292 1.00 0.00 N ATOM 414 CA SER A 557 0.398 12.568 8.604 1.00 0.00 C ATOM 415 C SER A 557 0.100 11.073 8.471 1.00 0.00 C ATOM 416 O SER A 557 0.010 10.551 7.361 1.00 0.00 O ATOM 417 CB SER A 557 -0.625 13.234 9.527 1.00 0.00 C ATOM 418 OG SER A 557 -0.653 12.630 10.817 1.00 0.00 O ATOM 0 H SER A 557 0.189 12.562 6.519 1.00 0.00 H new ATOM 0 HA SER A 557 1.385 12.697 9.048 1.00 0.00 H new ATOM 0 HB2 SER A 557 -0.387 14.293 9.628 1.00 0.00 H new ATOM 0 HB3 SER A 557 -1.615 13.171 9.076 1.00 0.00 H new ATOM 0 HG SER A 557 -1.317 13.084 11.377 1.00 0.00 H new ATOM 424 N TRP A 558 -0.045 10.427 9.619 1.00 0.00 N ATOM 425 CA TRP A 558 -0.331 9.003 9.645 1.00 0.00 C ATOM 426 C TRP A 558 -1.829 8.826 9.901 1.00 0.00 C ATOM 427 O TRP A 558 -2.396 9.485 10.772 1.00 0.00 O ATOM 428 CB TRP A 558 0.541 8.287 10.678 1.00 0.00 C ATOM 429 CG TRP A 558 1.918 7.876 10.153 1.00 0.00 C ATOM 430 CD1 TRP A 558 3.100 8.460 10.392 1.00 0.00 C ATOM 431 CD2 TRP A 558 2.209 6.760 9.285 1.00 0.00 C ATOM 432 NE1 TRP A 558 4.127 7.805 9.744 1.00 0.00 N ATOM 433 CE2 TRP A 558 3.568 6.739 9.050 1.00 0.00 C ATOM 434 CE3 TRP A 558 1.351 5.801 8.718 1.00 0.00 C ATOM 435 CZ2 TRP A 558 4.191 5.779 8.243 1.00 0.00 C ATOM 436 CZ3 TRP A 558 1.990 4.849 7.914 1.00 0.00 C ATOM 437 CH2 TRP A 558 3.357 4.813 7.667 1.00 0.00 C ATOM 0 H TRP A 558 0.030 10.864 10.538 1.00 0.00 H new ATOM 0 HA TRP A 558 -0.085 8.543 8.688 1.00 0.00 H new ATOM 0 HB2 TRP A 558 0.673 8.939 11.542 1.00 0.00 H new ATOM 0 HB3 TRP A 558 0.016 7.398 11.027 1.00 0.00 H new ATOM 0 HD1 TRP A 558 3.232 9.333 11.014 1.00 0.00 H new ATOM 0 HE1 TRP A 558 5.115 8.057 9.770 1.00 0.00 H new ATOM 0 HE3 TRP A 558 0.285 5.799 8.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 558 5.258 5.783 8.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 558 1.377 4.089 7.453 1.00 0.00 H new ATOM 0 HH2 TRP A 558 3.774 4.044 7.034 1.00 0.00 H new ATOM 448 N THR A 559 -2.428 7.933 9.127 1.00 0.00 N ATOM 449 CA THR A 559 -3.850 7.662 9.260 1.00 0.00 C ATOM 450 C THR A 559 -4.125 6.877 10.544 1.00 0.00 C ATOM 451 O THR A 559 -3.196 6.496 11.254 1.00 0.00 O ATOM 452 CB THR A 559 -4.312 6.937 7.994 1.00 0.00 C ATOM 453 OG1 THR A 559 -3.999 7.844 6.940 1.00 0.00 O ATOM 454 CG2 THR A 559 -5.834 6.796 7.924 1.00 0.00 C ATOM 0 H THR A 559 -1.955 7.388 8.406 1.00 0.00 H new ATOM 0 HA THR A 559 -4.423 8.585 9.352 1.00 0.00 H new ATOM 0 HB THR A 559 -3.853 5.949 7.953 1.00 0.00 H new ATOM 0 HG1 THR A 559 -4.264 7.452 6.082 1.00 0.00 H new ATOM 0 HG21 THR A 559 -6.109 6.275 7.007 1.00 0.00 H new ATOM 0 HG22 THR A 559 -6.187 6.227 8.784 1.00 0.00 H new ATOM 0 HG23 THR A 559 -6.292 7.785 7.931 1.00 0.00 H new ATOM 462 N ALA A 560 -5.406 6.659 10.803 1.00 0.00 N ATOM 463 CA ALA A 560 -5.816 5.927 11.989 1.00 0.00 C ATOM 464 C ALA A 560 -5.382 4.466 11.857 1.00 0.00 C ATOM 465 O ALA A 560 -5.962 3.710 11.079 1.00 0.00 O ATOM 466 CB ALA A 560 -7.327 6.071 12.182 1.00 0.00 C ATOM 0 H ALA A 560 -6.174 6.977 10.211 1.00 0.00 H new ATOM 0 HA ALA A 560 -5.334 6.335 12.877 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -7.634 5.522 13.072 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -7.580 7.125 12.301 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -7.845 5.669 11.311 1.00 0.00 H new ATOM 472 N ALA A 561 -4.364 4.112 12.629 1.00 0.00 N ATOM 473 CA ALA A 561 -3.846 2.755 12.607 1.00 0.00 C ATOM 474 C ALA A 561 -4.865 1.814 13.253 1.00 0.00 C ATOM 475 O ALA A 561 -5.406 2.114 14.316 1.00 0.00 O ATOM 476 CB ALA A 561 -2.488 2.716 13.312 1.00 0.00 C ATOM 0 H ALA A 561 -3.885 4.741 13.273 1.00 0.00 H new ATOM 0 HA ALA A 561 -3.691 2.420 11.581 1.00 0.00 H new ATOM 0 HB1 ALA A 561 -2.099 1.698 13.296 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -1.792 3.379 12.798 1.00 0.00 H new ATOM 0 HB3 ALA A 561 -2.605 3.043 14.345 1.00 0.00 H new ATOM 482 N PRO A 562 -5.103 0.665 12.566 1.00 0.00 N ATOM 483 CA PRO A 562 -4.420 0.387 11.314 1.00 0.00 C ATOM 484 C PRO A 562 -4.999 1.229 10.175 1.00 0.00 C ATOM 485 O PRO A 562 -6.191 1.532 10.166 1.00 0.00 O ATOM 486 CB PRO A 562 -4.592 -1.107 11.095 1.00 0.00 C ATOM 487 CG PRO A 562 -5.752 -1.528 11.982 1.00 0.00 C ATOM 488 CD PRO A 562 -6.024 -0.396 12.961 1.00 0.00 C ATOM 0 HA PRO A 562 -3.363 0.652 11.343 1.00 0.00 H new ATOM 0 HB2 PRO A 562 -4.801 -1.327 10.048 1.00 0.00 H new ATOM 0 HB3 PRO A 562 -3.683 -1.647 11.358 1.00 0.00 H new ATOM 0 HG2 PRO A 562 -6.637 -1.734 11.381 1.00 0.00 H new ATOM 0 HG3 PRO A 562 -5.510 -2.446 12.517 1.00 0.00 H new ATOM 0 HD2 PRO A 562 -7.060 -0.063 12.903 1.00 0.00 H new ATOM 0 HD3 PRO A 562 -5.848 -0.711 13.989 1.00 0.00 H new ATOM 496 N GLY A 563 -4.128 1.583 9.241 1.00 0.00 N ATOM 497 CA GLY A 563 -4.538 2.384 8.100 1.00 0.00 C ATOM 498 C GLY A 563 -5.912 1.947 7.590 1.00 0.00 C ATOM 499 O GLY A 563 -6.938 2.332 8.150 1.00 0.00 O ATOM 0 H GLY A 563 -3.140 1.330 9.251 1.00 0.00 H new ATOM 0 HA2 GLY A 563 -4.568 3.436 8.382 1.00 0.00 H new ATOM 0 HA3 GLY A 563 -3.802 2.289 7.301 1.00 0.00 H new ATOM 503 N VAL A 564 -5.890 1.150 6.532 1.00 0.00 N ATOM 504 CA VAL A 564 -7.122 0.657 5.939 1.00 0.00 C ATOM 505 C VAL A 564 -6.954 -0.820 5.580 1.00 0.00 C ATOM 506 O VAL A 564 -5.833 -1.305 5.437 1.00 0.00 O ATOM 507 CB VAL A 564 -7.509 1.524 4.739 1.00 0.00 C ATOM 508 CG1 VAL A 564 -9.018 1.480 4.496 1.00 0.00 C ATOM 509 CG2 VAL A 564 -7.024 2.964 4.924 1.00 0.00 C ATOM 0 H VAL A 564 -5.038 0.833 6.070 1.00 0.00 H new ATOM 0 HA VAL A 564 -7.944 0.727 6.652 1.00 0.00 H new ATOM 0 HB VAL A 564 -7.016 1.116 3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 564 -9.267 2.104 3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 564 -9.325 0.453 4.299 1.00 0.00 H new ATOM 0 HG13 VAL A 564 -9.540 1.851 5.378 1.00 0.00 H new ATOM 0 HG21 VAL A 564 -7.312 3.559 4.057 1.00 0.00 H new ATOM 0 HG22 VAL A 564 -7.475 3.388 5.821 1.00 0.00 H new ATOM 0 HG23 VAL A 564 -5.939 2.972 5.025 1.00 0.00 H new ATOM 519 N LYS A 565 -8.086 -1.495 5.443 1.00 0.00 N ATOM 520 CA LYS A 565 -8.079 -2.908 5.103 1.00 0.00 C ATOM 521 C LYS A 565 -8.051 -3.061 3.581 1.00 0.00 C ATOM 522 O LYS A 565 -9.010 -2.701 2.900 1.00 0.00 O ATOM 523 CB LYS A 565 -9.252 -3.626 5.773 1.00 0.00 C ATOM 524 CG LYS A 565 -9.469 -5.011 5.159 1.00 0.00 C ATOM 525 CD LYS A 565 -8.362 -5.978 5.583 1.00 0.00 C ATOM 526 CE LYS A 565 -8.118 -7.038 4.506 1.00 0.00 C ATOM 527 NZ LYS A 565 -9.313 -7.896 4.344 1.00 0.00 N ATOM 0 H LYS A 565 -9.014 -1.090 5.561 1.00 0.00 H new ATOM 0 HA LYS A 565 -7.180 -3.389 5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -9.061 -3.724 6.842 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -10.158 -3.030 5.664 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -10.438 -5.403 5.470 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -9.491 -4.932 4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -7.442 -5.424 5.768 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -8.637 -6.463 6.520 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -7.879 -6.554 3.559 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -7.258 -7.650 4.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -9.078 -8.708 3.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -9.624 -8.237 5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -10.078 -7.346 3.903 1.00 0.00 H new ATOM 540 N MET A 566 -6.942 -3.597 3.093 1.00 0.00 N ATOM 541 CA MET A 566 -6.777 -3.803 1.664 1.00 0.00 C ATOM 542 C MET A 566 -8.121 -4.096 0.993 1.00 0.00 C ATOM 543 O MET A 566 -8.788 -5.072 1.332 1.00 0.00 O ATOM 544 CB MET A 566 -5.820 -4.973 1.424 1.00 0.00 C ATOM 545 CG MET A 566 -4.410 -4.636 1.911 1.00 0.00 C ATOM 546 SD MET A 566 -3.198 -5.326 0.797 1.00 0.00 S ATOM 547 CE MET A 566 -2.657 -3.840 -0.031 1.00 0.00 C ATOM 0 H MET A 566 -6.149 -3.895 3.661 1.00 0.00 H new ATOM 0 HA MET A 566 -6.367 -2.891 1.229 1.00 0.00 H new ATOM 0 HB2 MET A 566 -6.186 -5.859 1.943 1.00 0.00 H new ATOM 0 HB3 MET A 566 -5.794 -5.214 0.361 1.00 0.00 H new ATOM 0 HG2 MET A 566 -4.286 -3.555 1.972 1.00 0.00 H new ATOM 0 HG3 MET A 566 -4.259 -5.031 2.916 1.00 0.00 H new ATOM 0 HE1 MET A 566 -1.580 -3.885 -0.193 1.00 0.00 H new ATOM 0 HE2 MET A 566 -3.165 -3.753 -0.992 1.00 0.00 H new ATOM 0 HE3 MET A 566 -2.896 -2.973 0.585 1.00 0.00 H new ATOM 557 N GLN A 567 -8.477 -3.232 0.054 1.00 0.00 N ATOM 558 CA GLN A 567 -9.729 -3.386 -0.668 1.00 0.00 C ATOM 559 C GLN A 567 -9.535 -4.301 -1.878 1.00 0.00 C ATOM 560 O GLN A 567 -8.760 -3.988 -2.780 1.00 0.00 O ATOM 561 CB GLN A 567 -10.288 -2.026 -1.092 1.00 0.00 C ATOM 562 CG GLN A 567 -11.368 -1.549 -0.119 1.00 0.00 C ATOM 563 CD GLN A 567 -12.692 -2.273 -0.371 1.00 0.00 C ATOM 564 OE1 GLN A 567 -12.780 -3.489 -0.341 1.00 0.00 O ATOM 565 NE2 GLN A 567 -13.714 -1.459 -0.620 1.00 0.00 N ATOM 0 H GLN A 567 -7.921 -2.423 -0.224 1.00 0.00 H new ATOM 0 HA GLN A 567 -10.456 -3.849 -0.001 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -9.481 -1.294 -1.133 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -10.705 -2.097 -2.097 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -11.042 -1.725 0.906 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -11.511 -0.474 -0.227 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -13.571 -0.449 -0.630 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -14.641 -1.845 -0.801 1.00 0.00 H new ATOM 574 N ASP A 568 -10.254 -5.415 -1.859 1.00 0.00 N ATOM 575 CA ASP A 568 -10.170 -6.378 -2.944 1.00 0.00 C ATOM 576 C ASP A 568 -10.350 -5.652 -4.279 1.00 0.00 C ATOM 577 O ASP A 568 -11.261 -4.840 -4.431 1.00 0.00 O ATOM 578 CB ASP A 568 -11.271 -7.434 -2.828 1.00 0.00 C ATOM 579 CG ASP A 568 -11.978 -7.486 -1.473 1.00 0.00 C ATOM 580 OD1 ASP A 568 -11.436 -8.011 -0.489 1.00 0.00 O ATOM 581 OD2 ASP A 568 -13.151 -6.949 -1.449 1.00 0.00 O ATOM 0 H ASP A 568 -10.897 -5.671 -1.110 1.00 0.00 H new ATOM 0 HA ASP A 568 -9.196 -6.864 -2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 568 -12.015 -7.247 -3.602 1.00 0.00 H new ATOM 0 HB3 ASP A 568 -10.837 -8.413 -3.032 1.00 0.00 H new ATOM 587 N ALA A 569 -9.466 -5.971 -5.213 1.00 0.00 N ATOM 588 CA ALA A 569 -9.516 -5.360 -6.531 1.00 0.00 C ATOM 589 C ALA A 569 -10.721 -5.908 -7.297 1.00 0.00 C ATOM 590 O ALA A 569 -11.772 -6.163 -6.710 1.00 0.00 O ATOM 591 CB ALA A 569 -8.196 -5.613 -7.261 1.00 0.00 C ATOM 0 H ALA A 569 -8.711 -6.645 -5.083 1.00 0.00 H new ATOM 0 HA ALA A 569 -9.641 -4.280 -6.449 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -8.233 -5.155 -8.249 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -7.375 -5.178 -6.690 1.00 0.00 H new ATOM 0 HB3 ALA A 569 -8.037 -6.686 -7.364 1.00 0.00 H new ATOM 597 N GLU A 570 -10.530 -6.073 -8.598 1.00 0.00 N ATOM 598 CA GLU A 570 -11.588 -6.586 -9.451 1.00 0.00 C ATOM 599 C GLU A 570 -11.121 -7.851 -10.173 1.00 0.00 C ATOM 600 O GLU A 570 -11.841 -8.395 -11.009 1.00 0.00 O ATOM 601 CB GLU A 570 -12.051 -5.524 -10.450 1.00 0.00 C ATOM 602 CG GLU A 570 -10.977 -5.262 -11.509 1.00 0.00 C ATOM 603 CD GLU A 570 -11.416 -5.791 -12.876 1.00 0.00 C ATOM 604 OE1 GLU A 570 -12.217 -6.734 -12.948 1.00 0.00 O ATOM 605 OE2 GLU A 570 -10.893 -5.185 -13.888 1.00 0.00 O ATOM 0 H GLU A 570 -9.658 -5.860 -9.082 1.00 0.00 H new ATOM 0 HA GLU A 570 -12.441 -6.843 -8.823 1.00 0.00 H new ATOM 0 HB2 GLU A 570 -12.971 -5.851 -10.934 1.00 0.00 H new ATOM 0 HB3 GLU A 570 -12.280 -4.598 -9.922 1.00 0.00 H new ATOM 0 HG2 GLU A 570 -10.780 -4.192 -11.575 1.00 0.00 H new ATOM 0 HG3 GLU A 570 -10.044 -5.741 -11.212 1.00 0.00 H new ATOM 613 N ILE A 571 -9.918 -8.283 -9.825 1.00 0.00 N ATOM 614 CA ILE A 571 -9.346 -9.474 -10.430 1.00 0.00 C ATOM 615 C ILE A 571 -9.840 -10.711 -9.676 1.00 0.00 C ATOM 616 O ILE A 571 -9.848 -11.813 -10.222 1.00 0.00 O ATOM 617 CB ILE A 571 -7.822 -9.363 -10.496 1.00 0.00 C ATOM 618 CG1 ILE A 571 -7.380 -8.638 -11.769 1.00 0.00 C ATOM 619 CG2 ILE A 571 -7.165 -10.738 -10.361 1.00 0.00 C ATOM 620 CD1 ILE A 571 -7.507 -9.550 -12.991 1.00 0.00 C ATOM 0 H ILE A 571 -9.323 -7.829 -9.131 1.00 0.00 H new ATOM 0 HA ILE A 571 -9.680 -9.574 -11.463 1.00 0.00 H new ATOM 0 HB ILE A 571 -7.486 -8.762 -9.651 1.00 0.00 H new ATOM 0 HG12 ILE A 571 -7.988 -7.745 -11.913 1.00 0.00 H new ATOM 0 HG13 ILE A 571 -6.347 -8.307 -11.663 1.00 0.00 H new ATOM 0 HG21 ILE A 571 -6.082 -10.630 -10.411 1.00 0.00 H new ATOM 0 HG22 ILE A 571 -7.442 -11.181 -9.404 1.00 0.00 H new ATOM 0 HG23 ILE A 571 -7.503 -11.384 -11.171 1.00 0.00 H new ATOM 0 HD11 ILE A 571 -7.187 -9.011 -13.882 1.00 0.00 H new ATOM 0 HD12 ILE A 571 -6.879 -10.431 -12.855 1.00 0.00 H new ATOM 0 HD13 ILE A 571 -8.546 -9.859 -13.108 1.00 0.00 H new ATOM 632 N SER A 572 -10.240 -10.486 -8.433 1.00 0.00 N ATOM 633 CA SER A 572 -10.734 -11.569 -7.599 1.00 0.00 C ATOM 634 C SER A 572 -9.567 -12.255 -6.887 1.00 0.00 C ATOM 635 O SER A 572 -8.757 -12.929 -7.522 1.00 0.00 O ATOM 636 CB SER A 572 -11.523 -12.585 -8.426 1.00 0.00 C ATOM 637 OG SER A 572 -12.524 -13.242 -7.653 1.00 0.00 O ATOM 0 H SER A 572 -10.232 -9.570 -7.983 1.00 0.00 H new ATOM 0 HA SER A 572 -11.408 -11.147 -6.854 1.00 0.00 H new ATOM 0 HB2 SER A 572 -11.991 -12.079 -9.271 1.00 0.00 H new ATOM 0 HB3 SER A 572 -10.839 -13.327 -8.838 1.00 0.00 H new ATOM 0 HG SER A 572 -13.006 -13.881 -8.218 1.00 0.00 H new ATOM 643 N GLY A 573 -9.517 -12.060 -5.577 1.00 0.00 N ATOM 644 CA GLY A 573 -8.463 -12.652 -4.772 1.00 0.00 C ATOM 645 C GLY A 573 -7.300 -11.675 -4.586 1.00 0.00 C ATOM 646 O GLY A 573 -6.363 -11.954 -3.839 1.00 0.00 O ATOM 0 H GLY A 573 -10.190 -11.500 -5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 573 -8.861 -12.938 -3.799 1.00 0.00 H new ATOM 0 HA3 GLY A 573 -8.104 -13.563 -5.250 1.00 0.00 H new ATOM 650 N TYR A 574 -7.399 -10.549 -5.278 1.00 0.00 N ATOM 651 CA TYR A 574 -6.368 -9.529 -5.199 1.00 0.00 C ATOM 652 C TYR A 574 -6.838 -8.338 -4.362 1.00 0.00 C ATOM 653 O TYR A 574 -8.037 -8.156 -4.153 1.00 0.00 O ATOM 654 CB TYR A 574 -6.124 -9.064 -6.636 1.00 0.00 C ATOM 655 CG TYR A 574 -4.718 -9.367 -7.158 1.00 0.00 C ATOM 656 CD1 TYR A 574 -4.397 -10.642 -7.575 1.00 0.00 C ATOM 657 CD2 TYR A 574 -3.771 -8.364 -7.212 1.00 0.00 C ATOM 658 CE1 TYR A 574 -3.074 -10.928 -8.067 1.00 0.00 C ATOM 659 CE2 TYR A 574 -2.448 -8.650 -7.703 1.00 0.00 C ATOM 660 CZ TYR A 574 -2.165 -9.917 -8.106 1.00 0.00 C ATOM 661 OH TYR A 574 -0.915 -10.187 -8.571 1.00 0.00 O ATOM 0 H TYR A 574 -8.178 -10.321 -5.896 1.00 0.00 H new ATOM 0 HA TYR A 574 -5.468 -9.928 -4.731 1.00 0.00 H new ATOM 0 HB2 TYR A 574 -6.854 -9.541 -7.290 1.00 0.00 H new ATOM 0 HB3 TYR A 574 -6.298 -7.990 -6.694 1.00 0.00 H new ATOM 0 HD1 TYR A 574 -5.138 -11.426 -7.533 1.00 0.00 H new ATOM 0 HD2 TYR A 574 -4.022 -7.365 -6.886 1.00 0.00 H new ATOM 0 HE1 TYR A 574 -2.810 -11.922 -8.397 1.00 0.00 H new ATOM 0 HE2 TYR A 574 -1.697 -7.875 -7.750 1.00 0.00 H new ATOM 0 HH TYR A 574 -0.372 -9.371 -8.543 1.00 0.00 H new ATOM 671 N ALA A 575 -5.870 -7.556 -3.906 1.00 0.00 N ATOM 672 CA ALA A 575 -6.170 -6.387 -3.097 1.00 0.00 C ATOM 673 C ALA A 575 -5.746 -5.127 -3.853 1.00 0.00 C ATOM 674 O ALA A 575 -4.858 -5.177 -4.703 1.00 0.00 O ATOM 675 CB ALA A 575 -5.476 -6.514 -1.740 1.00 0.00 C ATOM 0 H ALA A 575 -4.877 -7.709 -4.082 1.00 0.00 H new ATOM 0 HA ALA A 575 -7.241 -6.314 -2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 575 -5.701 -5.637 -1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 575 -5.833 -7.409 -1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 575 -4.398 -6.586 -1.888 1.00 0.00 H new ATOM 681 N LYS A 576 -6.401 -4.025 -3.517 1.00 0.00 N ATOM 682 CA LYS A 576 -6.103 -2.753 -4.154 1.00 0.00 C ATOM 683 C LYS A 576 -6.487 -1.613 -3.209 1.00 0.00 C ATOM 684 O LYS A 576 -7.568 -1.624 -2.624 1.00 0.00 O ATOM 685 CB LYS A 576 -6.777 -2.669 -5.525 1.00 0.00 C ATOM 686 CG LYS A 576 -8.253 -2.290 -5.388 1.00 0.00 C ATOM 687 CD LYS A 576 -8.860 -1.949 -6.750 1.00 0.00 C ATOM 688 CE LYS A 576 -8.889 -0.435 -6.973 1.00 0.00 C ATOM 689 NZ LYS A 576 -10.101 0.156 -6.362 1.00 0.00 N ATOM 0 H LYS A 576 -7.137 -3.987 -2.812 1.00 0.00 H new ATOM 0 HA LYS A 576 -5.034 -2.664 -4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 576 -6.264 -1.931 -6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 576 -6.690 -3.628 -6.036 1.00 0.00 H new ATOM 0 HG2 LYS A 576 -8.804 -3.115 -4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 576 -8.352 -1.436 -4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 576 -8.280 -2.426 -7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 576 -9.872 -2.349 -6.812 1.00 0.00 H new ATOM 0 HE2 LYS A 576 -7.998 0.019 -6.540 1.00 0.00 H new ATOM 0 HE3 LYS A 576 -8.870 -0.218 -8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 576 -10.105 1.184 -6.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 576 -10.948 -0.265 -6.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 576 -10.103 -0.035 -5.340 1.00 0.00 H new ATOM 702 N ILE A 577 -5.578 -0.655 -3.090 1.00 0.00 N ATOM 703 CA ILE A 577 -5.808 0.490 -2.226 1.00 0.00 C ATOM 704 C ILE A 577 -5.482 1.774 -2.992 1.00 0.00 C ATOM 705 O ILE A 577 -4.583 1.790 -3.831 1.00 0.00 O ATOM 706 CB ILE A 577 -5.029 0.340 -0.918 1.00 0.00 C ATOM 707 CG1 ILE A 577 -3.851 1.315 -0.866 1.00 0.00 C ATOM 708 CG2 ILE A 577 -4.584 -1.109 -0.708 1.00 0.00 C ATOM 709 CD1 ILE A 577 -2.905 1.095 -2.049 1.00 0.00 C ATOM 0 H ILE A 577 -4.682 -0.649 -3.577 1.00 0.00 H new ATOM 0 HA ILE A 577 -6.858 0.546 -1.939 1.00 0.00 H new ATOM 0 HB ILE A 577 -5.694 0.595 -0.093 1.00 0.00 H new ATOM 0 HG12 ILE A 577 -4.222 2.340 -0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 577 -3.307 1.184 0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 577 -4.032 -1.188 0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 577 -5.460 -1.757 -0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 577 -3.942 -1.416 -1.534 1.00 0.00 H new ATOM 0 HD11 ILE A 577 -2.076 1.801 -1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 577 -2.517 0.077 -2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 577 -3.447 1.251 -2.982 1.00 0.00 H new ATOM 721 N THR A 578 -6.231 2.820 -2.675 1.00 0.00 N ATOM 722 CA THR A 578 -6.033 4.106 -3.323 1.00 0.00 C ATOM 723 C THR A 578 -5.889 5.213 -2.277 1.00 0.00 C ATOM 724 O THR A 578 -6.723 5.339 -1.382 1.00 0.00 O ATOM 725 CB THR A 578 -7.197 4.332 -4.290 1.00 0.00 C ATOM 726 OG1 THR A 578 -7.377 3.066 -4.919 1.00 0.00 O ATOM 727 CG2 THR A 578 -6.828 5.270 -5.442 1.00 0.00 C ATOM 0 H THR A 578 -6.976 2.803 -1.978 1.00 0.00 H new ATOM 0 HA THR A 578 -5.107 4.121 -3.897 1.00 0.00 H new ATOM 0 HB THR A 578 -8.047 4.743 -3.745 1.00 0.00 H new ATOM 0 HG1 THR A 578 -8.115 3.122 -5.562 1.00 0.00 H new ATOM 0 HG21 THR A 578 -7.689 5.396 -6.098 1.00 0.00 H new ATOM 0 HG22 THR A 578 -6.532 6.239 -5.041 1.00 0.00 H new ATOM 0 HG23 THR A 578 -6.000 4.843 -6.008 1.00 0.00 H new ATOM 735 N VAL A 579 -4.824 5.987 -2.426 1.00 0.00 N ATOM 736 CA VAL A 579 -4.559 7.080 -1.505 1.00 0.00 C ATOM 737 C VAL A 579 -4.311 8.363 -2.301 1.00 0.00 C ATOM 738 O VAL A 579 -3.482 8.384 -3.209 1.00 0.00 O ATOM 739 CB VAL A 579 -3.395 6.715 -0.581 1.00 0.00 C ATOM 740 CG1 VAL A 579 -3.481 7.485 0.738 1.00 0.00 C ATOM 741 CG2 VAL A 579 -3.344 5.207 -0.333 1.00 0.00 C ATOM 0 H VAL A 579 -4.135 5.879 -3.170 1.00 0.00 H new ATOM 0 HA VAL A 579 -5.422 7.257 -0.864 1.00 0.00 H new ATOM 0 HB VAL A 579 -2.469 7.004 -1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 579 -2.642 7.208 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 579 -3.445 8.556 0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 579 -4.417 7.241 1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 579 -2.508 4.975 0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 579 -4.275 4.883 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 579 -3.213 4.686 -1.282 1.00 0.00 H new ATOM 751 N ASP A 580 -5.046 9.402 -1.931 1.00 0.00 N ATOM 752 CA ASP A 580 -4.916 10.686 -2.600 1.00 0.00 C ATOM 753 C ASP A 580 -3.715 11.437 -2.022 1.00 0.00 C ATOM 754 O ASP A 580 -3.367 11.257 -0.856 1.00 0.00 O ATOM 755 CB ASP A 580 -6.161 11.548 -2.383 1.00 0.00 C ATOM 756 CG ASP A 580 -6.003 13.020 -2.766 1.00 0.00 C ATOM 757 OD1 ASP A 580 -5.469 13.348 -3.836 1.00 0.00 O ATOM 758 OD2 ASP A 580 -6.462 13.861 -1.902 1.00 0.00 O ATOM 0 H ASP A 580 -5.733 9.381 -1.177 1.00 0.00 H new ATOM 0 HA ASP A 580 -4.787 10.500 -3.666 1.00 0.00 H new ATOM 0 HB2 ASP A 580 -6.983 11.124 -2.960 1.00 0.00 H new ATOM 0 HB3 ASP A 580 -6.446 11.490 -1.333 1.00 0.00 H new ATOM 764 N ILE A 581 -3.113 12.263 -2.865 1.00 0.00 N ATOM 765 CA ILE A 581 -1.958 13.043 -2.453 1.00 0.00 C ATOM 766 C ILE A 581 -1.885 14.320 -3.292 1.00 0.00 C ATOM 767 O ILE A 581 -0.909 14.542 -4.008 1.00 0.00 O ATOM 768 CB ILE A 581 -0.688 12.192 -2.516 1.00 0.00 C ATOM 769 CG1 ILE A 581 -0.412 11.723 -3.946 1.00 0.00 C ATOM 770 CG2 ILE A 581 -0.762 11.023 -1.533 1.00 0.00 C ATOM 771 CD1 ILE A 581 0.885 10.914 -4.018 1.00 0.00 C ATOM 0 H ILE A 581 -3.403 12.409 -3.832 1.00 0.00 H new ATOM 0 HA ILE A 581 -2.057 13.351 -1.412 1.00 0.00 H new ATOM 0 HB ILE A 581 0.155 12.814 -2.213 1.00 0.00 H new ATOM 0 HG12 ILE A 581 -1.244 11.115 -4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 581 -0.344 12.586 -4.609 1.00 0.00 H new ATOM 0 HG21 ILE A 581 0.153 10.434 -1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 581 -0.875 11.407 -0.519 1.00 0.00 H new ATOM 0 HG23 ILE A 581 -1.617 10.393 -1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 581 1.057 10.593 -5.045 1.00 0.00 H new ATOM 0 HD12 ILE A 581 1.719 11.533 -3.687 1.00 0.00 H new ATOM 0 HD13 ILE A 581 0.804 10.039 -3.373 1.00 0.00 H new ATOM 783 N GLY A 582 -2.929 15.127 -3.176 1.00 0.00 N ATOM 784 CA GLY A 582 -2.996 16.377 -3.914 1.00 0.00 C ATOM 785 C GLY A 582 -1.958 17.375 -3.397 1.00 0.00 C ATOM 786 O GLY A 582 -2.294 18.513 -3.074 1.00 0.00 O ATOM 0 H GLY A 582 -3.736 14.939 -2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -2.827 16.187 -4.974 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -3.994 16.805 -3.822 1.00 0.00 H new ATOM 790 N SER A 583 -0.718 16.912 -3.335 1.00 0.00 N ATOM 791 CA SER A 583 0.371 17.751 -2.863 1.00 0.00 C ATOM 792 C SER A 583 1.495 16.879 -2.300 1.00 0.00 C ATOM 793 O SER A 583 2.076 17.202 -1.265 1.00 0.00 O ATOM 794 CB SER A 583 -0.116 18.740 -1.802 1.00 0.00 C ATOM 795 OG SER A 583 -0.521 19.980 -2.375 1.00 0.00 O ATOM 0 H SER A 583 -0.443 15.967 -3.604 1.00 0.00 H new ATOM 0 HA SER A 583 0.753 18.325 -3.707 1.00 0.00 H new ATOM 0 HB2 SER A 583 -0.952 18.303 -1.255 1.00 0.00 H new ATOM 0 HB3 SER A 583 0.680 18.917 -1.079 1.00 0.00 H new ATOM 0 HG SER A 583 -1.387 19.868 -2.819 1.00 0.00 H new ATOM 801 N ALA A 584 1.768 15.792 -3.005 1.00 0.00 N ATOM 802 CA ALA A 584 2.813 14.872 -2.589 1.00 0.00 C ATOM 803 C ALA A 584 3.210 13.988 -3.772 1.00 0.00 C ATOM 804 O ALA A 584 2.362 13.604 -4.577 1.00 0.00 O ATOM 805 CB ALA A 584 2.326 14.056 -1.389 1.00 0.00 C ATOM 0 H ALA A 584 1.283 15.527 -3.863 1.00 0.00 H new ATOM 0 HA ALA A 584 3.702 15.418 -2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 584 3.109 13.366 -1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 584 2.085 14.728 -0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 584 1.436 13.492 -1.669 1.00 0.00 H new ATOM 811 N SER A 585 4.499 13.690 -3.841 1.00 0.00 N ATOM 812 CA SER A 585 5.018 12.858 -4.913 1.00 0.00 C ATOM 813 C SER A 585 5.520 11.528 -4.347 1.00 0.00 C ATOM 814 O SER A 585 6.036 10.690 -5.086 1.00 0.00 O ATOM 815 CB SER A 585 6.142 13.571 -5.669 1.00 0.00 C ATOM 816 OG SER A 585 5.779 13.860 -7.016 1.00 0.00 O ATOM 0 H SER A 585 5.199 14.010 -3.172 1.00 0.00 H new ATOM 0 HA SER A 585 4.209 12.664 -5.617 1.00 0.00 H new ATOM 0 HB2 SER A 585 6.394 14.498 -5.154 1.00 0.00 H new ATOM 0 HB3 SER A 585 7.037 12.948 -5.660 1.00 0.00 H new ATOM 0 HG SER A 585 6.522 14.316 -7.464 1.00 0.00 H new ATOM 822 N GLN A 586 5.351 11.375 -3.042 1.00 0.00 N ATOM 823 CA GLN A 586 5.781 10.162 -2.369 1.00 0.00 C ATOM 824 C GLN A 586 4.835 9.834 -1.211 1.00 0.00 C ATOM 825 O GLN A 586 4.407 10.727 -0.483 1.00 0.00 O ATOM 826 CB GLN A 586 7.224 10.288 -1.878 1.00 0.00 C ATOM 827 CG GLN A 586 8.207 10.247 -3.050 1.00 0.00 C ATOM 828 CD GLN A 586 9.651 10.382 -2.559 1.00 0.00 C ATOM 829 OE1 GLN A 586 10.198 11.467 -2.450 1.00 0.00 O ATOM 830 NE2 GLN A 586 10.234 9.222 -2.271 1.00 0.00 N ATOM 0 H GLN A 586 4.922 12.071 -2.433 1.00 0.00 H new ATOM 0 HA GLN A 586 5.747 9.341 -3.086 1.00 0.00 H new ATOM 0 HB2 GLN A 586 7.345 11.222 -1.330 1.00 0.00 H new ATOM 0 HB3 GLN A 586 7.447 9.479 -1.183 1.00 0.00 H new ATOM 0 HG2 GLN A 586 8.090 9.310 -3.595 1.00 0.00 H new ATOM 0 HG3 GLN A 586 7.980 11.052 -3.748 1.00 0.00 H new ATOM 0 HE21 GLN A 586 9.718 8.350 -2.385 1.00 0.00 H new ATOM 0 HE22 GLN A 586 11.197 9.205 -1.936 1.00 0.00 H new ATOM 839 N LEU A 587 4.537 8.550 -1.079 1.00 0.00 N ATOM 840 CA LEU A 587 3.649 8.093 -0.023 1.00 0.00 C ATOM 841 C LEU A 587 4.190 6.786 0.561 1.00 0.00 C ATOM 842 O LEU A 587 4.561 5.877 -0.180 1.00 0.00 O ATOM 843 CB LEU A 587 2.213 7.989 -0.538 1.00 0.00 C ATOM 844 CG LEU A 587 1.124 7.866 0.531 1.00 0.00 C ATOM 845 CD1 LEU A 587 -0.243 8.259 -0.031 1.00 0.00 C ATOM 846 CD2 LEU A 587 1.111 6.463 1.142 1.00 0.00 C ATOM 0 H LEU A 587 4.894 7.812 -1.685 1.00 0.00 H new ATOM 0 HA LEU A 587 3.619 8.818 0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 587 2.001 8.869 -1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 587 2.146 7.124 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 587 1.354 8.565 1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -0.998 8.163 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 587 -0.210 9.291 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 587 -0.496 7.603 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 587 0.328 6.403 1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 587 0.918 5.728 0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 587 2.077 6.258 1.603 1.00 0.00 H new ATOM 858 N GLU A 588 4.216 6.733 1.885 1.00 0.00 N ATOM 859 CA GLU A 588 4.705 5.552 2.577 1.00 0.00 C ATOM 860 C GLU A 588 3.556 4.576 2.837 1.00 0.00 C ATOM 861 O GLU A 588 2.424 4.994 3.079 1.00 0.00 O ATOM 862 CB GLU A 588 5.407 5.932 3.882 1.00 0.00 C ATOM 863 CG GLU A 588 5.676 4.695 4.741 1.00 0.00 C ATOM 864 CD GLU A 588 6.940 4.877 5.584 1.00 0.00 C ATOM 865 OE1 GLU A 588 8.018 5.146 5.034 1.00 0.00 O ATOM 866 OE2 GLU A 588 6.773 4.730 6.855 1.00 0.00 O ATOM 0 H GLU A 588 3.907 7.488 2.497 1.00 0.00 H new ATOM 0 HA GLU A 588 5.438 5.059 1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 588 6.348 6.436 3.660 1.00 0.00 H new ATOM 0 HB3 GLU A 588 4.791 6.638 4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 588 4.823 4.509 5.394 1.00 0.00 H new ATOM 0 HG3 GLU A 588 5.785 3.820 4.101 1.00 0.00 H new ATOM 874 N ALA A 589 3.886 3.294 2.779 1.00 0.00 N ATOM 875 CA ALA A 589 2.895 2.255 3.005 1.00 0.00 C ATOM 876 C ALA A 589 3.545 1.093 3.760 1.00 0.00 C ATOM 877 O ALA A 589 4.655 0.678 3.431 1.00 0.00 O ATOM 878 CB ALA A 589 2.297 1.819 1.666 1.00 0.00 C ATOM 0 H ALA A 589 4.826 2.951 2.579 1.00 0.00 H new ATOM 0 HA ALA A 589 2.077 2.631 3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 589 1.554 1.040 1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 589 1.823 2.674 1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 589 3.088 1.432 1.023 1.00 0.00 H new ATOM 884 N ALA A 590 2.825 0.602 4.758 1.00 0.00 N ATOM 885 CA ALA A 590 3.317 -0.504 5.561 1.00 0.00 C ATOM 886 C ALA A 590 2.308 -1.653 5.513 1.00 0.00 C ATOM 887 O ALA A 590 1.130 -1.438 5.230 1.00 0.00 O ATOM 888 CB ALA A 590 3.582 -0.020 6.988 1.00 0.00 C ATOM 0 H ALA A 590 1.905 0.950 5.029 1.00 0.00 H new ATOM 0 HA ALA A 590 4.260 -0.878 5.163 1.00 0.00 H new ATOM 0 HB1 ALA A 590 3.951 -0.850 7.591 1.00 0.00 H new ATOM 0 HB2 ALA A 590 4.327 0.775 6.970 1.00 0.00 H new ATOM 0 HB3 ALA A 590 2.657 0.360 7.421 1.00 0.00 H new ATOM 894 N PHE A 591 2.806 -2.848 5.793 1.00 0.00 N ATOM 895 CA PHE A 591 1.962 -4.031 5.786 1.00 0.00 C ATOM 896 C PHE A 591 2.026 -4.759 7.130 1.00 0.00 C ATOM 897 O PHE A 591 3.111 -5.070 7.621 1.00 0.00 O ATOM 898 CB PHE A 591 2.500 -4.957 4.692 1.00 0.00 C ATOM 899 CG PHE A 591 1.830 -4.764 3.330 1.00 0.00 C ATOM 900 CD1 PHE A 591 2.156 -3.693 2.557 1.00 0.00 C ATOM 901 CD2 PHE A 591 0.910 -5.665 2.891 1.00 0.00 C ATOM 902 CE1 PHE A 591 1.534 -3.515 1.293 1.00 0.00 C ATOM 903 CE2 PHE A 591 0.289 -5.486 1.627 1.00 0.00 C ATOM 904 CZ PHE A 591 0.614 -4.415 0.855 1.00 0.00 C ATOM 0 H PHE A 591 3.783 -3.023 6.026 1.00 0.00 H new ATOM 0 HA PHE A 591 0.925 -3.747 5.606 1.00 0.00 H new ATOM 0 HB2 PHE A 591 3.572 -4.792 4.585 1.00 0.00 H new ATOM 0 HB3 PHE A 591 2.367 -5.992 5.008 1.00 0.00 H new ATOM 0 HD1 PHE A 591 2.888 -2.979 2.905 1.00 0.00 H new ATOM 0 HD2 PHE A 591 0.652 -6.516 3.504 1.00 0.00 H new ATOM 0 HE1 PHE A 591 1.792 -2.664 0.679 1.00 0.00 H new ATOM 0 HE2 PHE A 591 -0.442 -6.201 1.279 1.00 0.00 H new ATOM 0 HZ PHE A 591 0.141 -4.279 -0.106 1.00 0.00 H new ATOM 914 N ASN A 592 0.851 -5.010 7.687 1.00 0.00 N ATOM 915 CA ASN A 592 0.759 -5.695 8.965 1.00 0.00 C ATOM 916 C ASN A 592 -0.549 -6.487 9.022 1.00 0.00 C ATOM 917 O ASN A 592 -1.601 -5.983 8.632 1.00 0.00 O ATOM 918 CB ASN A 592 0.759 -4.699 10.126 1.00 0.00 C ATOM 919 CG ASN A 592 -0.477 -3.798 10.076 1.00 0.00 C ATOM 920 OD1 ASN A 592 -1.538 -4.127 10.580 1.00 0.00 O ATOM 921 ND2 ASN A 592 -0.281 -2.646 9.440 1.00 0.00 N ATOM 0 H ASN A 592 -0.046 -4.751 7.277 1.00 0.00 H new ATOM 0 HA ASN A 592 1.622 -6.355 9.056 1.00 0.00 H new ATOM 0 HB2 ASN A 592 0.782 -5.239 11.073 1.00 0.00 H new ATOM 0 HB3 ASN A 592 1.661 -4.088 10.086 1.00 0.00 H new ATOM 0 HD21 ASN A 592 -1.045 -1.976 9.352 1.00 0.00 H new ATOM 0 HD22 ASN A 592 0.633 -2.433 9.041 1.00 0.00 H new ATOM 928 N ASP A 593 -0.440 -7.714 9.510 1.00 0.00 N ATOM 929 CA ASP A 593 -1.601 -8.580 9.623 1.00 0.00 C ATOM 930 C ASP A 593 -2.541 -8.028 10.696 1.00 0.00 C ATOM 931 O ASP A 593 -3.708 -8.414 10.762 1.00 0.00 O ATOM 932 CB ASP A 593 -1.193 -9.996 10.035 1.00 0.00 C ATOM 933 CG ASP A 593 0.052 -10.541 9.333 1.00 0.00 C ATOM 934 OD1 ASP A 593 0.453 -11.695 9.547 1.00 0.00 O ATOM 935 OD2 ASP A 593 0.627 -9.716 8.524 1.00 0.00 O ATOM 0 H ASP A 593 0.435 -8.129 9.832 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.092 -8.614 8.651 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -1.020 -10.009 11.111 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -2.027 -10.670 9.838 1.00 0.00 H new ATOM 941 N GLY A 594 -1.999 -7.134 11.510 1.00 0.00 N ATOM 942 CA GLY A 594 -2.776 -6.525 12.576 1.00 0.00 C ATOM 943 C GLY A 594 -2.661 -7.335 13.869 1.00 0.00 C ATOM 944 O GLY A 594 -3.526 -7.248 14.739 1.00 0.00 O ATOM 0 H GLY A 594 -1.031 -6.817 11.453 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -2.428 -5.507 12.748 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -3.822 -6.458 12.276 1.00 0.00 H new ATOM 948 N ASN A 595 -1.587 -8.106 13.954 1.00 0.00 N ATOM 949 CA ASN A 595 -1.348 -8.930 15.126 1.00 0.00 C ATOM 950 C ASN A 595 0.093 -8.730 15.601 1.00 0.00 C ATOM 951 O ASN A 595 0.753 -9.682 16.012 1.00 0.00 O ATOM 952 CB ASN A 595 -1.537 -10.414 14.803 1.00 0.00 C ATOM 953 CG ASN A 595 -3.021 -10.783 14.768 1.00 0.00 C ATOM 954 OD1 ASN A 595 -3.867 -10.021 14.330 1.00 0.00 O ATOM 955 ND2 ASN A 595 -3.290 -11.992 15.254 1.00 0.00 N ATOM 0 H ASN A 595 -0.872 -8.177 13.230 1.00 0.00 H new ATOM 0 HA ASN A 595 -2.060 -8.634 15.897 1.00 0.00 H new ATOM 0 HB2 ASN A 595 -1.079 -10.641 13.840 1.00 0.00 H new ATOM 0 HB3 ASN A 595 -1.025 -11.020 15.550 1.00 0.00 H new ATOM 0 HD21 ASN A 595 -4.252 -12.331 15.275 1.00 0.00 H new ATOM 0 HD22 ASN A 595 -2.534 -12.580 15.605 1.00 0.00 H new ATOM 962 N ASN A 596 0.538 -7.484 15.528 1.00 0.00 N ATOM 963 CA ASN A 596 1.888 -7.146 15.945 1.00 0.00 C ATOM 964 C ASN A 596 2.888 -7.740 14.952 1.00 0.00 C ATOM 965 O ASN A 596 4.055 -7.941 15.285 1.00 0.00 O ATOM 966 CB ASN A 596 2.197 -7.721 17.329 1.00 0.00 C ATOM 967 CG ASN A 596 2.574 -6.612 18.313 1.00 0.00 C ATOM 968 OD1 ASN A 596 2.793 -5.469 17.945 1.00 0.00 O ATOM 969 ND2 ASN A 596 2.636 -7.010 19.580 1.00 0.00 N ATOM 0 H ASN A 596 -0.013 -6.696 15.186 1.00 0.00 H new ATOM 0 HA ASN A 596 1.968 -6.059 15.980 1.00 0.00 H new ATOM 0 HB2 ASN A 596 1.329 -8.264 17.703 1.00 0.00 H new ATOM 0 HB3 ASN A 596 3.014 -8.439 17.254 1.00 0.00 H new ATOM 0 HD21 ASN A 596 2.879 -6.343 20.313 1.00 0.00 H new ATOM 0 HD22 ASN A 596 2.441 -7.982 19.819 1.00 0.00 H new ATOM 976 N ASN A 597 2.394 -8.005 13.751 1.00 0.00 N ATOM 977 CA ASN A 597 3.230 -8.573 12.707 1.00 0.00 C ATOM 978 C ASN A 597 3.373 -7.561 11.568 1.00 0.00 C ATOM 979 O ASN A 597 2.725 -7.694 10.530 1.00 0.00 O ATOM 980 CB ASN A 597 2.606 -9.846 12.133 1.00 0.00 C ATOM 981 CG ASN A 597 2.907 -11.054 13.023 1.00 0.00 C ATOM 982 OD1 ASN A 597 2.132 -11.429 13.888 1.00 0.00 O ATOM 983 ND2 ASN A 597 4.073 -11.639 12.765 1.00 0.00 N ATOM 0 H ASN A 597 1.426 -7.837 13.478 1.00 0.00 H new ATOM 0 HA ASN A 597 4.199 -8.813 13.144 1.00 0.00 H new ATOM 0 HB2 ASN A 597 1.528 -9.717 12.041 1.00 0.00 H new ATOM 0 HB3 ASN A 597 2.992 -10.024 11.129 1.00 0.00 H new ATOM 0 HD21 ASN A 597 4.366 -12.453 13.306 1.00 0.00 H new ATOM 0 HD22 ASN A 597 4.674 -11.274 12.026 1.00 0.00 H new ATOM 990 N TRP A 598 4.224 -6.573 11.800 1.00 0.00 N ATOM 991 CA TRP A 598 4.460 -5.540 10.806 1.00 0.00 C ATOM 992 C TRP A 598 5.745 -5.892 10.054 1.00 0.00 C ATOM 993 O TRP A 598 6.746 -6.258 10.666 1.00 0.00 O ATOM 994 CB TRP A 598 4.508 -4.155 11.456 1.00 0.00 C ATOM 995 CG TRP A 598 3.284 -3.827 12.313 1.00 0.00 C ATOM 996 CD1 TRP A 598 2.829 -4.486 13.388 1.00 0.00 C ATOM 997 CD2 TRP A 598 2.371 -2.726 12.123 1.00 0.00 C ATOM 998 NE1 TRP A 598 1.694 -3.892 13.902 1.00 0.00 N ATOM 999 CE2 TRP A 598 1.407 -2.788 13.108 1.00 0.00 C ATOM 1000 CE3 TRP A 598 2.360 -1.710 11.150 1.00 0.00 C ATOM 1001 CZ2 TRP A 598 0.361 -1.863 13.217 1.00 0.00 C ATOM 1002 CZ3 TRP A 598 1.308 -0.794 11.272 1.00 0.00 C ATOM 1003 CH2 TRP A 598 0.330 -0.843 12.259 1.00 0.00 C ATOM 0 H TRP A 598 4.759 -6.466 12.662 1.00 0.00 H new ATOM 0 HA TRP A 598 3.639 -5.498 10.091 1.00 0.00 H new ATOM 0 HB2 TRP A 598 5.402 -4.087 12.076 1.00 0.00 H new ATOM 0 HB3 TRP A 598 4.604 -3.401 10.674 1.00 0.00 H new ATOM 0 HD1 TRP A 598 3.292 -5.370 13.800 1.00 0.00 H new ATOM 0 HE1 TRP A 598 1.164 -4.206 14.715 1.00 0.00 H new ATOM 0 HE3 TRP A 598 3.104 -1.642 10.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 -0.382 -1.933 13.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 1.252 0.006 10.549 1.00 0.00 H new ATOM 0 HH2 TRP A 598 -0.450 -0.097 12.286 1.00 0.00 H new ATOM 1014 N ASP A 599 5.674 -5.768 8.736 1.00 0.00 N ATOM 1015 CA ASP A 599 6.819 -6.069 7.894 1.00 0.00 C ATOM 1016 C ASP A 599 6.982 -4.963 6.850 1.00 0.00 C ATOM 1017 O ASP A 599 6.399 -5.033 5.769 1.00 0.00 O ATOM 1018 CB ASP A 599 6.625 -7.393 7.153 1.00 0.00 C ATOM 1019 CG ASP A 599 6.544 -8.630 8.050 1.00 0.00 C ATOM 1020 OD1 ASP A 599 6.142 -8.545 9.220 1.00 0.00 O ATOM 1021 OD2 ASP A 599 6.922 -9.732 7.495 1.00 0.00 O ATOM 0 H ASP A 599 4.842 -5.463 8.231 1.00 0.00 H new ATOM 0 HA ASP A 599 7.699 -6.139 8.533 1.00 0.00 H new ATOM 0 HB2 ASP A 599 5.711 -7.331 6.562 1.00 0.00 H new ATOM 0 HB3 ASP A 599 7.450 -7.524 6.452 1.00 0.00 H new ATOM 1027 N SER A 600 7.778 -3.966 7.209 1.00 0.00 N ATOM 1028 CA SER A 600 8.026 -2.847 6.317 1.00 0.00 C ATOM 1029 C SER A 600 9.137 -3.203 5.326 1.00 0.00 C ATOM 1030 O SER A 600 8.879 -3.380 4.137 1.00 0.00 O ATOM 1031 CB SER A 600 8.399 -1.588 7.102 1.00 0.00 C ATOM 1032 OG SER A 600 7.759 -1.544 8.375 1.00 0.00 O ATOM 0 H SER A 600 8.260 -3.910 8.106 1.00 0.00 H new ATOM 0 HA SER A 600 7.109 -2.640 5.766 1.00 0.00 H new ATOM 0 HB2 SER A 600 9.480 -1.552 7.238 1.00 0.00 H new ATOM 0 HB3 SER A 600 8.121 -0.706 6.526 1.00 0.00 H new ATOM 0 HG SER A 600 8.024 -0.726 8.846 1.00 0.00 H new ATOM 1038 N ASN A 601 10.348 -3.297 5.854 1.00 0.00 N ATOM 1039 CA ASN A 601 11.499 -3.629 5.031 1.00 0.00 C ATOM 1040 C ASN A 601 12.781 -3.363 5.824 1.00 0.00 C ATOM 1041 O ASN A 601 13.648 -4.230 5.918 1.00 0.00 O ATOM 1042 CB ASN A 601 11.538 -2.769 3.766 1.00 0.00 C ATOM 1043 CG ASN A 601 11.285 -1.297 4.096 1.00 0.00 C ATOM 1044 OD1 ASN A 601 10.854 -0.942 5.181 1.00 0.00 O ATOM 1045 ND2 ASN A 601 11.577 -0.462 3.103 1.00 0.00 N ATOM 0 H ASN A 601 10.558 -3.149 6.841 1.00 0.00 H new ATOM 0 HA ASN A 601 11.422 -4.679 4.750 1.00 0.00 H new ATOM 0 HB2 ASN A 601 12.508 -2.875 3.280 1.00 0.00 H new ATOM 0 HB3 ASN A 601 10.787 -3.121 3.059 1.00 0.00 H new ATOM 0 HD21 ASN A 601 11.443 0.542 3.225 1.00 0.00 H new ATOM 0 HD22 ASN A 601 11.935 -0.825 2.220 1.00 0.00 H new ATOM 1052 N ASN A 602 12.860 -2.160 6.374 1.00 0.00 N ATOM 1053 CA ASN A 602 14.021 -1.768 7.155 1.00 0.00 C ATOM 1054 C ASN A 602 13.570 -0.893 8.326 1.00 0.00 C ATOM 1055 O ASN A 602 13.877 -1.188 9.480 1.00 0.00 O ATOM 1056 CB ASN A 602 15.005 -0.958 6.310 1.00 0.00 C ATOM 1057 CG ASN A 602 16.426 -1.068 6.867 1.00 0.00 C ATOM 1058 OD1 ASN A 602 16.945 -2.145 7.108 1.00 0.00 O ATOM 1059 ND2 ASN A 602 17.024 0.105 7.058 1.00 0.00 N ATOM 0 H ASN A 602 12.138 -1.444 6.294 1.00 0.00 H new ATOM 0 HA ASN A 602 14.512 -2.675 7.509 1.00 0.00 H new ATOM 0 HB2 ASN A 602 14.986 -1.315 5.280 1.00 0.00 H new ATOM 0 HB3 ASN A 602 14.698 0.088 6.290 1.00 0.00 H new ATOM 0 HD21 ASN A 602 17.974 0.139 7.427 1.00 0.00 H new ATOM 0 HD22 ASN A 602 16.532 0.970 6.835 1.00 0.00 H new ATOM 1066 N THR A 603 12.851 0.167 7.988 1.00 0.00 N ATOM 1067 CA THR A 603 12.355 1.088 8.997 1.00 0.00 C ATOM 1068 C THR A 603 11.666 2.283 8.336 1.00 0.00 C ATOM 1069 O THR A 603 10.693 2.815 8.868 1.00 0.00 O ATOM 1070 CB THR A 603 13.530 1.484 9.893 1.00 0.00 C ATOM 1071 OG1 THR A 603 13.127 2.725 10.466 1.00 0.00 O ATOM 1072 CG2 THR A 603 14.786 1.833 9.092 1.00 0.00 C ATOM 0 H THR A 603 12.600 0.409 7.029 1.00 0.00 H new ATOM 0 HA THR A 603 11.594 0.619 9.621 1.00 0.00 H new ATOM 0 HB THR A 603 13.753 0.668 10.580 1.00 0.00 H new ATOM 0 HG1 THR A 603 13.831 3.054 11.063 1.00 0.00 H new ATOM 0 HG21 THR A 603 15.589 2.107 9.776 1.00 0.00 H new ATOM 0 HG22 THR A 603 15.092 0.970 8.500 1.00 0.00 H new ATOM 0 HG23 THR A 603 14.573 2.671 8.428 1.00 0.00 H new ATOM 1080 N LYS A 604 12.197 2.670 7.186 1.00 0.00 N ATOM 1081 CA LYS A 604 11.645 3.792 6.446 1.00 0.00 C ATOM 1082 C LYS A 604 10.608 3.278 5.446 1.00 0.00 C ATOM 1083 O LYS A 604 10.334 3.930 4.439 1.00 0.00 O ATOM 1084 CB LYS A 604 12.765 4.614 5.804 1.00 0.00 C ATOM 1085 CG LYS A 604 12.258 5.994 5.381 1.00 0.00 C ATOM 1086 CD LYS A 604 12.386 6.185 3.868 1.00 0.00 C ATOM 1087 CE LYS A 604 12.404 7.670 3.502 1.00 0.00 C ATOM 1088 NZ LYS A 604 13.151 7.885 2.243 1.00 0.00 N ATOM 0 H LYS A 604 13.004 2.226 6.748 1.00 0.00 H new ATOM 0 HA LYS A 604 11.127 4.474 7.120 1.00 0.00 H new ATOM 0 HB2 LYS A 604 13.589 4.726 6.509 1.00 0.00 H new ATOM 0 HB3 LYS A 604 13.158 4.085 4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 604 11.216 6.110 5.679 1.00 0.00 H new ATOM 0 HG3 LYS A 604 12.825 6.768 5.898 1.00 0.00 H new ATOM 0 HD2 LYS A 604 13.300 5.709 3.514 1.00 0.00 H new ATOM 0 HD3 LYS A 604 11.554 5.693 3.364 1.00 0.00 H new ATOM 0 HE2 LYS A 604 11.383 8.036 3.393 1.00 0.00 H new ATOM 0 HE3 LYS A 604 12.864 8.243 4.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 13.153 8.898 2.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 14.130 7.554 2.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 12.695 7.354 1.474 1.00 0.00 H new ATOM 1101 N ASN A 605 10.059 2.113 5.757 1.00 0.00 N ATOM 1102 CA ASN A 605 9.058 1.504 4.898 1.00 0.00 C ATOM 1103 C ASN A 605 9.427 1.756 3.435 1.00 0.00 C ATOM 1104 O ASN A 605 10.604 1.889 3.101 1.00 0.00 O ATOM 1105 CB ASN A 605 7.676 2.108 5.148 1.00 0.00 C ATOM 1106 CG ASN A 605 6.591 1.029 5.116 1.00 0.00 C ATOM 1107 OD1 ASN A 605 5.576 1.113 5.787 1.00 0.00 O ATOM 1108 ND2 ASN A 605 6.862 0.014 4.301 1.00 0.00 N ATOM 0 H ASN A 605 10.289 1.575 6.592 1.00 0.00 H new ATOM 0 HA ASN A 605 9.029 0.437 5.118 1.00 0.00 H new ATOM 0 HB2 ASN A 605 7.665 2.611 6.115 1.00 0.00 H new ATOM 0 HB3 ASN A 605 7.464 2.864 4.392 1.00 0.00 H new ATOM 0 HD21 ASN A 605 6.201 -0.757 4.209 1.00 0.00 H new ATOM 0 HD22 ASN A 605 7.731 0.006 3.767 1.00 0.00 H new ATOM 1115 N TYR A 606 8.399 1.815 2.601 1.00 0.00 N ATOM 1116 CA TYR A 606 8.600 2.050 1.181 1.00 0.00 C ATOM 1117 C TYR A 606 7.898 3.333 0.732 1.00 0.00 C ATOM 1118 O TYR A 606 6.731 3.551 1.054 1.00 0.00 O ATOM 1119 CB TYR A 606 7.965 0.857 0.462 1.00 0.00 C ATOM 1120 CG TYR A 606 8.886 -0.359 0.342 1.00 0.00 C ATOM 1121 CD1 TYR A 606 10.206 -0.191 -0.024 1.00 0.00 C ATOM 1122 CD2 TYR A 606 8.397 -1.623 0.599 1.00 0.00 C ATOM 1123 CE1 TYR A 606 11.073 -1.335 -0.138 1.00 0.00 C ATOM 1124 CE2 TYR A 606 9.263 -2.768 0.485 1.00 0.00 C ATOM 1125 CZ TYR A 606 10.558 -2.567 0.122 1.00 0.00 C ATOM 1126 OH TYR A 606 11.377 -3.648 0.015 1.00 0.00 O ATOM 0 H TYR A 606 7.425 1.704 2.881 1.00 0.00 H new ATOM 0 HA TYR A 606 9.661 2.157 0.957 1.00 0.00 H new ATOM 0 HB2 TYR A 606 7.061 0.564 0.995 1.00 0.00 H new ATOM 0 HB3 TYR A 606 7.659 1.168 -0.537 1.00 0.00 H new ATOM 0 HD1 TYR A 606 10.589 0.799 -0.225 1.00 0.00 H new ATOM 0 HD2 TYR A 606 7.364 -1.754 0.886 1.00 0.00 H new ATOM 0 HE1 TYR A 606 12.108 -1.218 -0.423 1.00 0.00 H new ATOM 0 HE2 TYR A 606 8.893 -3.763 0.683 1.00 0.00 H new ATOM 0 HH TYR A 606 10.875 -4.461 0.231 1.00 0.00 H new ATOM 1136 N LEU A 607 8.639 4.148 -0.004 1.00 0.00 N ATOM 1137 CA LEU A 607 8.102 5.404 -0.501 1.00 0.00 C ATOM 1138 C LEU A 607 7.865 5.292 -2.008 1.00 0.00 C ATOM 1139 O LEU A 607 8.798 5.041 -2.770 1.00 0.00 O ATOM 1140 CB LEU A 607 9.012 6.569 -0.106 1.00 0.00 C ATOM 1141 CG LEU A 607 8.978 6.977 1.368 1.00 0.00 C ATOM 1142 CD1 LEU A 607 7.646 7.642 1.723 1.00 0.00 C ATOM 1143 CD2 LEU A 607 9.281 5.782 2.275 1.00 0.00 C ATOM 0 H LEU A 607 9.607 3.963 -0.268 1.00 0.00 H new ATOM 0 HA LEU A 607 7.136 5.614 -0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 607 10.038 6.307 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 607 8.741 7.436 -0.709 1.00 0.00 H new ATOM 0 HG LEU A 607 9.762 7.716 1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 607 7.649 7.922 2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 607 7.510 8.534 1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 607 6.830 6.945 1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 607 9.251 6.099 3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 607 8.537 5.003 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 607 10.272 5.392 2.043 1.00 0.00 H new ATOM 1155 N PHE A 608 6.612 5.483 -2.394 1.00 0.00 N ATOM 1156 CA PHE A 608 6.241 5.407 -3.796 1.00 0.00 C ATOM 1157 C PHE A 608 5.370 6.599 -4.199 1.00 0.00 C ATOM 1158 O PHE A 608 4.763 7.245 -3.346 1.00 0.00 O ATOM 1159 CB PHE A 608 5.435 4.119 -3.976 1.00 0.00 C ATOM 1160 CG PHE A 608 6.295 2.858 -4.088 1.00 0.00 C ATOM 1161 CD1 PHE A 608 7.086 2.480 -3.049 1.00 0.00 C ATOM 1162 CD2 PHE A 608 6.268 2.116 -5.228 1.00 0.00 C ATOM 1163 CE1 PHE A 608 7.883 1.310 -3.153 1.00 0.00 C ATOM 1164 CE2 PHE A 608 7.065 0.945 -5.331 1.00 0.00 C ATOM 1165 CZ PHE A 608 7.856 0.567 -4.292 1.00 0.00 C ATOM 0 H PHE A 608 5.841 5.690 -1.759 1.00 0.00 H new ATOM 0 HA PHE A 608 7.136 5.418 -4.418 1.00 0.00 H new ATOM 0 HB2 PHE A 608 4.753 4.008 -3.133 1.00 0.00 H new ATOM 0 HB3 PHE A 608 4.821 4.209 -4.872 1.00 0.00 H new ATOM 0 HD1 PHE A 608 7.108 3.070 -2.145 1.00 0.00 H new ATOM 0 HD2 PHE A 608 5.641 2.417 -6.054 1.00 0.00 H new ATOM 0 HE1 PHE A 608 8.511 1.010 -2.327 1.00 0.00 H new ATOM 0 HE2 PHE A 608 7.043 0.355 -6.235 1.00 0.00 H new ATOM 0 HZ PHE A 608 8.463 -0.323 -4.371 1.00 0.00 H new ATOM 1175 N SER A 609 5.338 6.855 -5.498 1.00 0.00 N ATOM 1176 CA SER A 609 4.552 7.959 -6.024 1.00 0.00 C ATOM 1177 C SER A 609 3.286 7.425 -6.699 1.00 0.00 C ATOM 1178 O SER A 609 3.113 6.215 -6.831 1.00 0.00 O ATOM 1179 CB SER A 609 5.368 8.794 -7.012 1.00 0.00 C ATOM 1180 OG SER A 609 4.874 10.127 -7.119 1.00 0.00 O ATOM 0 H SER A 609 5.843 6.317 -6.202 1.00 0.00 H new ATOM 0 HA SER A 609 4.268 8.604 -5.192 1.00 0.00 H new ATOM 0 HB2 SER A 609 6.410 8.818 -6.693 1.00 0.00 H new ATOM 0 HB3 SER A 609 5.346 8.319 -7.993 1.00 0.00 H new ATOM 0 HG SER A 609 5.523 10.749 -6.727 1.00 0.00 H new ATOM 1186 N THR A 610 2.435 8.354 -7.107 1.00 0.00 N ATOM 1187 CA THR A 610 1.191 7.993 -7.765 1.00 0.00 C ATOM 1188 C THR A 610 1.466 7.076 -8.959 1.00 0.00 C ATOM 1189 O THR A 610 2.620 6.804 -9.285 1.00 0.00 O ATOM 1190 CB THR A 610 0.464 9.284 -8.145 1.00 0.00 C ATOM 1191 OG1 THR A 610 1.387 9.966 -8.990 1.00 0.00 O ATOM 1192 CG2 THR A 610 0.283 10.227 -6.953 1.00 0.00 C ATOM 0 H THR A 610 2.582 9.357 -6.995 1.00 0.00 H new ATOM 0 HA THR A 610 0.543 7.423 -7.099 1.00 0.00 H new ATOM 0 HB THR A 610 -0.511 9.041 -8.567 1.00 0.00 H new ATOM 0 HG1 THR A 610 0.995 10.815 -9.285 1.00 0.00 H new ATOM 0 HG21 THR A 610 -0.238 11.128 -7.277 1.00 0.00 H new ATOM 0 HG22 THR A 610 -0.301 9.728 -6.180 1.00 0.00 H new ATOM 0 HG23 THR A 610 1.260 10.498 -6.552 1.00 0.00 H new ATOM 1200 N GLY A 611 0.385 6.625 -9.579 1.00 0.00 N ATOM 1201 CA GLY A 611 0.495 5.745 -10.730 1.00 0.00 C ATOM 1202 C GLY A 611 -0.044 4.350 -10.406 1.00 0.00 C ATOM 1203 O GLY A 611 -1.125 4.215 -9.835 1.00 0.00 O ATOM 0 H GLY A 611 -0.571 6.853 -9.306 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -0.058 6.167 -11.569 1.00 0.00 H new ATOM 0 HA3 GLY A 611 1.538 5.673 -11.039 1.00 0.00 H new ATOM 1207 N THR A 612 0.735 3.347 -10.785 1.00 0.00 N ATOM 1208 CA THR A 612 0.350 1.967 -10.543 1.00 0.00 C ATOM 1209 C THR A 612 1.500 1.199 -9.888 1.00 0.00 C ATOM 1210 O THR A 612 2.628 1.228 -10.378 1.00 0.00 O ATOM 1211 CB THR A 612 -0.105 1.363 -11.873 1.00 0.00 C ATOM 1212 OG1 THR A 612 -0.992 2.339 -12.413 1.00 0.00 O ATOM 1213 CG2 THR A 612 -0.985 0.125 -11.683 1.00 0.00 C ATOM 0 H THR A 612 1.631 3.463 -11.258 1.00 0.00 H new ATOM 0 HA THR A 612 -0.481 1.906 -9.841 1.00 0.00 H new ATOM 0 HB THR A 612 0.769 1.100 -12.470 1.00 0.00 H new ATOM 0 HG1 THR A 612 -1.333 2.028 -13.278 1.00 0.00 H new ATOM 0 HG21 THR A 612 -1.280 -0.264 -12.657 1.00 0.00 H new ATOM 0 HG22 THR A 612 -0.427 -0.638 -11.141 1.00 0.00 H new ATOM 0 HG23 THR A 612 -1.875 0.395 -11.115 1.00 0.00 H new ATOM 1221 N SER A 613 1.174 0.531 -8.792 1.00 0.00 N ATOM 1222 CA SER A 613 2.166 -0.243 -8.065 1.00 0.00 C ATOM 1223 C SER A 613 1.551 -1.558 -7.581 1.00 0.00 C ATOM 1224 O SER A 613 0.332 -1.671 -7.462 1.00 0.00 O ATOM 1225 CB SER A 613 2.724 0.549 -6.882 1.00 0.00 C ATOM 1226 OG SER A 613 2.708 1.953 -7.124 1.00 0.00 O ATOM 0 H SER A 613 0.237 0.509 -8.389 1.00 0.00 H new ATOM 0 HA SER A 613 2.992 -0.462 -8.742 1.00 0.00 H new ATOM 0 HB2 SER A 613 2.138 0.328 -5.990 1.00 0.00 H new ATOM 0 HB3 SER A 613 3.746 0.228 -6.680 1.00 0.00 H new ATOM 0 HG SER A 613 3.071 2.423 -6.345 1.00 0.00 H new ATOM 1232 N THR A 614 2.423 -2.519 -7.315 1.00 0.00 N ATOM 1233 CA THR A 614 1.982 -3.822 -6.846 1.00 0.00 C ATOM 1234 C THR A 614 2.834 -4.280 -5.661 1.00 0.00 C ATOM 1235 O THR A 614 4.059 -4.336 -5.758 1.00 0.00 O ATOM 1236 CB THR A 614 2.020 -4.789 -8.032 1.00 0.00 C ATOM 1237 OG1 THR A 614 1.202 -4.163 -9.016 1.00 0.00 O ATOM 1238 CG2 THR A 614 1.303 -6.107 -7.735 1.00 0.00 C ATOM 0 H THR A 614 3.433 -2.422 -7.415 1.00 0.00 H new ATOM 0 HA THR A 614 0.959 -3.782 -6.473 1.00 0.00 H new ATOM 0 HB THR A 614 3.056 -4.992 -8.302 1.00 0.00 H new ATOM 0 HG1 THR A 614 1.747 -3.934 -9.797 1.00 0.00 H new ATOM 0 HG21 THR A 614 1.359 -6.757 -8.608 1.00 0.00 H new ATOM 0 HG22 THR A 614 1.780 -6.598 -6.887 1.00 0.00 H new ATOM 0 HG23 THR A 614 0.258 -5.907 -7.498 1.00 0.00 H new ATOM 1246 N TYR A 615 2.152 -4.595 -4.570 1.00 0.00 N ATOM 1247 CA TYR A 615 2.832 -5.046 -3.367 1.00 0.00 C ATOM 1248 C TYR A 615 2.820 -6.573 -3.271 1.00 0.00 C ATOM 1249 O TYR A 615 1.757 -7.192 -3.289 1.00 0.00 O ATOM 1250 CB TYR A 615 2.040 -4.467 -2.193 1.00 0.00 C ATOM 1251 CG TYR A 615 2.874 -3.597 -1.250 1.00 0.00 C ATOM 1252 CD1 TYR A 615 3.637 -4.185 -0.262 1.00 0.00 C ATOM 1253 CD2 TYR A 615 2.861 -2.223 -1.387 1.00 0.00 C ATOM 1254 CE1 TYR A 615 4.421 -3.366 0.625 1.00 0.00 C ATOM 1255 CE2 TYR A 615 3.646 -1.404 -0.499 1.00 0.00 C ATOM 1256 CZ TYR A 615 4.387 -2.016 0.463 1.00 0.00 C ATOM 1257 OH TYR A 615 5.128 -1.243 1.302 1.00 0.00 O ATOM 0 H TYR A 615 1.136 -4.547 -4.493 1.00 0.00 H new ATOM 0 HA TYR A 615 3.873 -4.722 -3.370 1.00 0.00 H new ATOM 0 HB2 TYR A 615 1.213 -3.873 -2.583 1.00 0.00 H new ATOM 0 HB3 TYR A 615 1.603 -5.287 -1.623 1.00 0.00 H new ATOM 0 HD1 TYR A 615 3.646 -5.260 -0.154 1.00 0.00 H new ATOM 0 HD2 TYR A 615 2.263 -1.763 -2.159 1.00 0.00 H new ATOM 0 HE1 TYR A 615 5.023 -3.814 1.402 1.00 0.00 H new ATOM 0 HE2 TYR A 615 3.646 -0.328 -0.595 1.00 0.00 H new ATOM 0 HH TYR A 615 4.532 -0.726 1.883 1.00 0.00 H new ATOM 1267 N THR A 616 4.015 -7.137 -3.171 1.00 0.00 N ATOM 1268 CA THR A 616 4.155 -8.580 -3.072 1.00 0.00 C ATOM 1269 C THR A 616 4.682 -8.970 -1.689 1.00 0.00 C ATOM 1270 O THR A 616 5.738 -8.502 -1.268 1.00 0.00 O ATOM 1271 CB THR A 616 5.054 -9.047 -4.218 1.00 0.00 C ATOM 1272 OG1 THR A 616 4.245 -8.888 -5.380 1.00 0.00 O ATOM 1273 CG2 THR A 616 5.338 -10.550 -4.165 1.00 0.00 C ATOM 0 H THR A 616 4.895 -6.621 -3.156 1.00 0.00 H new ATOM 0 HA THR A 616 3.191 -9.079 -3.171 1.00 0.00 H new ATOM 0 HB THR A 616 5.995 -8.499 -4.187 1.00 0.00 H new ATOM 0 HG1 THR A 616 4.751 -9.166 -6.172 1.00 0.00 H new ATOM 0 HG21 THR A 616 5.980 -10.829 -5.001 1.00 0.00 H new ATOM 0 HG22 THR A 616 5.837 -10.793 -3.227 1.00 0.00 H new ATOM 0 HG23 THR A 616 4.399 -11.100 -4.230 1.00 0.00 H new ATOM 1281 N PRO A 617 3.900 -9.847 -1.004 1.00 0.00 N ATOM 1282 CA PRO A 617 4.276 -10.307 0.323 1.00 0.00 C ATOM 1283 C PRO A 617 5.414 -11.327 0.247 1.00 0.00 C ATOM 1284 O PRO A 617 6.053 -11.473 -0.794 1.00 0.00 O ATOM 1285 CB PRO A 617 3.001 -10.883 0.916 1.00 0.00 C ATOM 1286 CG PRO A 617 2.076 -11.148 -0.261 1.00 0.00 C ATOM 1287 CD PRO A 617 2.642 -10.422 -1.471 1.00 0.00 C ATOM 0 HA PRO A 617 4.665 -9.506 0.952 1.00 0.00 H new ATOM 0 HB2 PRO A 617 3.206 -11.802 1.466 1.00 0.00 H new ATOM 0 HB3 PRO A 617 2.547 -10.185 1.620 1.00 0.00 H new ATOM 0 HG2 PRO A 617 2.004 -12.218 -0.457 1.00 0.00 H new ATOM 0 HG3 PRO A 617 1.068 -10.796 -0.041 1.00 0.00 H new ATOM 0 HD2 PRO A 617 2.805 -11.107 -2.303 1.00 0.00 H new ATOM 0 HD3 PRO A 617 1.960 -9.648 -1.823 1.00 0.00 H new ATOM 1295 N GLY A 618 5.633 -12.005 1.364 1.00 0.00 N ATOM 1296 CA GLY A 618 6.683 -13.007 1.437 1.00 0.00 C ATOM 1297 C GLY A 618 6.094 -14.406 1.624 1.00 0.00 C ATOM 1298 O GLY A 618 4.950 -14.657 1.246 1.00 0.00 O ATOM 0 H GLY A 618 5.102 -11.880 2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 618 7.281 -12.979 0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 618 7.353 -12.777 2.265 1.00 0.00 H new ATOM 1302 N SER A 619 6.901 -15.281 2.206 1.00 0.00 N ATOM 1303 CA SER A 619 6.473 -16.648 2.448 1.00 0.00 C ATOM 1304 C SER A 619 6.513 -16.952 3.947 1.00 0.00 C ATOM 1305 O SER A 619 5.609 -17.596 4.477 1.00 0.00 O ATOM 1306 CB SER A 619 7.348 -17.642 1.681 1.00 0.00 C ATOM 1307 OG SER A 619 6.819 -18.965 1.726 1.00 0.00 O ATOM 0 H SER A 619 7.849 -15.070 2.517 1.00 0.00 H new ATOM 0 HA SER A 619 5.449 -16.754 2.090 1.00 0.00 H new ATOM 0 HB2 SER A 619 7.436 -17.322 0.643 1.00 0.00 H new ATOM 0 HB3 SER A 619 8.354 -17.639 2.101 1.00 0.00 H new ATOM 0 HG SER A 619 7.405 -19.569 1.224 1.00 0.00 H new ATOM 1313 N ASN A 620 7.570 -16.475 4.587 1.00 0.00 N ATOM 1314 CA ASN A 620 7.740 -16.688 6.014 1.00 0.00 C ATOM 1315 C ASN A 620 8.120 -15.364 6.681 1.00 0.00 C ATOM 1316 O ASN A 620 9.301 -15.081 6.878 1.00 0.00 O ATOM 1317 CB ASN A 620 8.857 -17.695 6.292 1.00 0.00 C ATOM 1318 CG ASN A 620 8.283 -19.084 6.581 1.00 0.00 C ATOM 1319 OD1 ASN A 620 7.100 -19.258 6.821 1.00 0.00 O ATOM 1320 ND2 ASN A 620 9.185 -20.060 6.544 1.00 0.00 N ATOM 0 H ASN A 620 8.318 -15.941 4.143 1.00 0.00 H new ATOM 0 HA ASN A 620 6.801 -17.073 6.411 1.00 0.00 H new ATOM 0 HB2 ASN A 620 9.528 -17.746 5.434 1.00 0.00 H new ATOM 0 HB3 ASN A 620 9.451 -17.359 7.142 1.00 0.00 H new ATOM 0 HD21 ASN A 620 8.902 -21.023 6.723 1.00 0.00 H new ATOM 0 HD22 ASN A 620 10.160 -19.845 6.337 1.00 0.00 H new ATOM 1327 N GLY A 621 7.098 -14.588 7.010 1.00 0.00 N ATOM 1328 CA GLY A 621 7.311 -13.302 7.650 1.00 0.00 C ATOM 1329 C GLY A 621 8.564 -12.617 7.103 1.00 0.00 C ATOM 1330 O GLY A 621 9.372 -12.091 7.866 1.00 0.00 O ATOM 0 H GLY A 621 6.120 -14.826 6.845 1.00 0.00 H new ATOM 0 HA2 GLY A 621 6.443 -12.663 7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 621 7.408 -13.440 8.727 1.00 0.00 H new ATOM 1334 N ALA A 622 8.688 -12.646 5.784 1.00 0.00 N ATOM 1335 CA ALA A 622 9.829 -12.035 5.125 1.00 0.00 C ATOM 1336 C ALA A 622 9.335 -11.001 4.112 1.00 0.00 C ATOM 1337 O ALA A 622 8.837 -11.360 3.046 1.00 0.00 O ATOM 1338 CB ALA A 622 10.687 -13.123 4.476 1.00 0.00 C ATOM 0 H ALA A 622 8.016 -13.084 5.154 1.00 0.00 H new ATOM 0 HA ALA A 622 10.456 -11.514 5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 622 11.543 -12.664 3.981 1.00 0.00 H new ATOM 0 HB2 ALA A 622 11.038 -13.815 5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 622 10.092 -13.666 3.742 1.00 0.00 H new ATOM 1344 N ALA A 623 9.488 -9.738 4.481 1.00 0.00 N ATOM 1345 CA ALA A 623 9.063 -8.649 3.618 1.00 0.00 C ATOM 1346 C ALA A 623 9.394 -8.997 2.165 1.00 0.00 C ATOM 1347 O ALA A 623 10.382 -9.678 1.896 1.00 0.00 O ATOM 1348 CB ALA A 623 9.728 -7.348 4.072 1.00 0.00 C ATOM 0 H ALA A 623 9.901 -9.444 5.366 1.00 0.00 H new ATOM 0 HA ALA A 623 7.985 -8.504 3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 623 9.409 -6.531 3.425 1.00 0.00 H new ATOM 0 HB2 ALA A 623 9.438 -7.131 5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 623 10.811 -7.454 4.015 1.00 0.00 H new ATOM 1354 N GLY A 624 8.549 -8.512 1.267 1.00 0.00 N ATOM 1355 CA GLY A 624 8.739 -8.763 -0.151 1.00 0.00 C ATOM 1356 C GLY A 624 9.230 -7.505 -0.870 1.00 0.00 C ATOM 1357 O GLY A 624 10.178 -6.860 -0.422 1.00 0.00 O ATOM 0 H GLY A 624 7.731 -7.946 1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 624 9.460 -9.569 -0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 624 7.800 -9.096 -0.594 1.00 0.00 H new ATOM 1361 N THR A 625 8.564 -7.193 -1.972 1.00 0.00 N ATOM 1362 CA THR A 625 8.921 -6.024 -2.756 1.00 0.00 C ATOM 1363 C THR A 625 7.696 -5.482 -3.495 1.00 0.00 C ATOM 1364 O THR A 625 6.662 -6.146 -3.559 1.00 0.00 O ATOM 1365 CB THR A 625 10.070 -6.413 -3.689 1.00 0.00 C ATOM 1366 OG1 THR A 625 9.740 -7.732 -4.115 1.00 0.00 O ATOM 1367 CG2 THR A 625 11.396 -6.582 -2.945 1.00 0.00 C ATOM 0 H THR A 625 7.779 -7.730 -2.340 1.00 0.00 H new ATOM 0 HA THR A 625 9.263 -5.210 -2.117 1.00 0.00 H new ATOM 0 HB THR A 625 10.182 -5.654 -4.463 1.00 0.00 H new ATOM 0 HG1 THR A 625 10.432 -8.061 -4.725 1.00 0.00 H new ATOM 0 HG21 THR A 625 12.178 -6.858 -3.653 1.00 0.00 H new ATOM 0 HG22 THR A 625 11.662 -5.644 -2.458 1.00 0.00 H new ATOM 0 HG23 THR A 625 11.294 -7.365 -2.193 1.00 0.00 H new ATOM 1375 N ILE A 626 7.852 -4.282 -4.034 1.00 0.00 N ATOM 1376 CA ILE A 626 6.770 -3.644 -4.766 1.00 0.00 C ATOM 1377 C ILE A 626 7.180 -3.479 -6.231 1.00 0.00 C ATOM 1378 O ILE A 626 8.251 -2.951 -6.524 1.00 0.00 O ATOM 1379 CB ILE A 626 6.366 -2.333 -4.089 1.00 0.00 C ATOM 1380 CG1 ILE A 626 6.835 -2.300 -2.633 1.00 0.00 C ATOM 1381 CG2 ILE A 626 4.860 -2.095 -4.212 1.00 0.00 C ATOM 1382 CD1 ILE A 626 6.573 -0.931 -2.003 1.00 0.00 C ATOM 0 H ILE A 626 8.711 -3.734 -3.979 1.00 0.00 H new ATOM 0 HA ILE A 626 5.878 -4.271 -4.752 1.00 0.00 H new ATOM 0 HB ILE A 626 6.865 -1.513 -4.606 1.00 0.00 H new ATOM 0 HG12 ILE A 626 6.317 -3.072 -2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 626 7.900 -2.529 -2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 626 4.599 -1.157 -3.723 1.00 0.00 H new ATOM 0 HG22 ILE A 626 4.585 -2.044 -5.265 1.00 0.00 H new ATOM 0 HG23 ILE A 626 4.322 -2.915 -3.736 1.00 0.00 H new ATOM 0 HD11 ILE A 626 6.916 -0.935 -0.968 1.00 0.00 H new ATOM 0 HD12 ILE A 626 7.112 -0.165 -2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 626 5.505 -0.716 -2.031 1.00 0.00 H new ATOM 1394 N ARG A 627 6.304 -3.941 -7.112 1.00 0.00 N ATOM 1395 CA ARG A 627 6.561 -3.851 -8.540 1.00 0.00 C ATOM 1396 C ARG A 627 5.594 -2.861 -9.191 1.00 0.00 C ATOM 1397 O ARG A 627 4.380 -2.979 -9.036 1.00 0.00 O ATOM 1398 CB ARG A 627 6.412 -5.217 -9.213 1.00 0.00 C ATOM 1399 CG ARG A 627 7.415 -5.376 -10.358 1.00 0.00 C ATOM 1400 CD ARG A 627 6.710 -5.323 -11.715 1.00 0.00 C ATOM 1401 NE ARG A 627 7.482 -4.477 -12.653 1.00 0.00 N ATOM 1402 CZ ARG A 627 8.720 -4.777 -13.099 1.00 0.00 C ATOM 1403 NH1 ARG A 627 9.339 -5.907 -12.695 1.00 0.00 N ATOM 1404 NH2 ARG A 627 9.317 -3.949 -13.935 1.00 0.00 N ATOM 0 H ARG A 627 5.416 -4.378 -6.865 1.00 0.00 H new ATOM 0 HA ARG A 627 7.586 -3.504 -8.672 1.00 0.00 H new ATOM 0 HB2 ARG A 627 6.565 -6.007 -8.478 1.00 0.00 H new ATOM 0 HB3 ARG A 627 5.397 -5.330 -9.595 1.00 0.00 H new ATOM 0 HG2 ARG A 627 8.164 -4.586 -10.302 1.00 0.00 H new ATOM 0 HG3 ARG A 627 7.943 -6.324 -10.255 1.00 0.00 H new ATOM 0 HD2 ARG A 627 6.607 -6.330 -12.120 1.00 0.00 H new ATOM 0 HD3 ARG A 627 5.703 -4.923 -11.596 1.00 0.00 H new ATOM 0 HE ARG A 627 7.051 -3.613 -12.983 1.00 0.00 H new ATOM 0 HH11 ARG A 627 8.871 -6.541 -12.048 1.00 0.00 H new ATOM 0 HH12 ARG A 627 10.275 -6.126 -13.037 1.00 0.00 H new ATOM 0 HH21 ARG A 627 8.843 -3.097 -14.235 1.00 0.00 H new ATOM 0 HH22 ARG A 627 10.253 -4.161 -14.282 1.00 0.00 H new ATOM 1417 N THR A 628 6.169 -1.906 -9.908 1.00 0.00 N ATOM 1418 CA THR A 628 5.374 -0.896 -10.585 1.00 0.00 C ATOM 1419 C THR A 628 4.718 -1.483 -11.836 1.00 0.00 C ATOM 1420 O THR A 628 5.287 -2.359 -12.486 1.00 0.00 O ATOM 1421 CB THR A 628 6.280 0.301 -10.878 1.00 0.00 C ATOM 1422 OG1 THR A 628 7.501 -0.017 -10.216 1.00 0.00 O ATOM 1423 CG2 THR A 628 5.804 1.580 -10.186 1.00 0.00 C ATOM 0 H THR A 628 7.177 -1.811 -10.035 1.00 0.00 H new ATOM 0 HA THR A 628 4.552 -0.553 -9.957 1.00 0.00 H new ATOM 0 HB THR A 628 6.325 0.466 -11.954 1.00 0.00 H new ATOM 0 HG1 THR A 628 8.117 -0.439 -10.851 1.00 0.00 H new ATOM 0 HG21 THR A 628 6.482 2.398 -10.427 1.00 0.00 H new ATOM 0 HG22 THR A 628 4.800 1.828 -10.530 1.00 0.00 H new ATOM 0 HG23 THR A 628 5.790 1.426 -9.107 1.00 0.00 H new ATOM 1431 N GLY A 629 3.531 -0.977 -12.136 1.00 0.00 N ATOM 1432 CA GLY A 629 2.792 -1.441 -13.298 1.00 0.00 C ATOM 1433 C GLY A 629 1.552 -2.234 -12.879 1.00 0.00 C ATOM 1434 O GLY A 629 1.595 -2.995 -11.913 1.00 0.00 O ATOM 0 H GLY A 629 3.063 -0.250 -11.595 1.00 0.00 H new ATOM 0 HA2 GLY A 629 2.494 -0.588 -13.908 1.00 0.00 H new ATOM 0 HA3 GLY A 629 3.436 -2.066 -13.917 1.00 0.00 H new ATOM 1438 N ALA A 630 0.477 -2.030 -13.626 1.00 0.00 N ATOM 1439 CA ALA A 630 -0.771 -2.717 -13.344 1.00 0.00 C ATOM 1440 C ALA A 630 -0.547 -4.228 -13.424 1.00 0.00 C ATOM 1441 O ALA A 630 -0.124 -4.742 -14.459 1.00 0.00 O ATOM 1442 CB ALA A 630 -1.850 -2.235 -14.317 1.00 0.00 C ATOM 0 H ALA A 630 0.445 -1.398 -14.426 1.00 0.00 H new ATOM 0 HA ALA A 630 -1.115 -2.488 -12.335 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -2.787 -2.750 -14.106 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -1.992 -1.161 -14.199 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -1.540 -2.450 -15.340 1.00 0.00 H new ATOM 1448 N PRO A 631 -0.848 -4.915 -12.290 1.00 0.00 N ATOM 1449 CA PRO A 631 -0.683 -6.357 -12.222 1.00 0.00 C ATOM 1450 C PRO A 631 -1.796 -7.072 -12.992 1.00 0.00 C ATOM 1451 O PRO A 631 -2.821 -6.471 -13.310 1.00 0.00 O ATOM 1452 CB PRO A 631 -0.683 -6.684 -10.738 1.00 0.00 C ATOM 1453 CG PRO A 631 -1.309 -5.484 -10.047 1.00 0.00 C ATOM 1454 CD PRO A 631 -1.350 -4.339 -11.046 1.00 0.00 C ATOM 0 HA PRO A 631 0.240 -6.698 -12.691 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -1.253 -7.591 -10.538 1.00 0.00 H new ATOM 0 HB3 PRO A 631 0.330 -6.858 -10.376 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -2.314 -5.725 -9.701 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -0.728 -5.203 -9.169 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -2.363 -3.956 -11.168 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -0.731 -3.504 -10.718 1.00 0.00 H new ATOM 1462 N SER A 632 -1.556 -8.346 -13.268 1.00 0.00 N ATOM 1463 CA SER A 632 -2.524 -9.149 -13.994 1.00 0.00 C ATOM 1464 C SER A 632 -2.375 -10.623 -13.610 1.00 0.00 C ATOM 1465 O SER A 632 -1.746 -11.395 -14.332 1.00 0.00 O ATOM 1466 CB SER A 632 -2.362 -8.976 -15.506 1.00 0.00 C ATOM 1467 OG SER A 632 -3.508 -9.427 -16.221 1.00 0.00 O ATOM 0 H SER A 632 -0.705 -8.841 -13.002 1.00 0.00 H new ATOM 0 HA SER A 632 -3.523 -8.808 -13.722 1.00 0.00 H new ATOM 0 HB2 SER A 632 -2.183 -7.925 -15.733 1.00 0.00 H new ATOM 0 HB3 SER A 632 -1.485 -9.528 -15.842 1.00 0.00 H new ATOM 0 HG SER A 632 -3.366 -9.298 -17.182 1.00 0.00 H new ATOM 1473 N GLY A 633 -2.964 -10.968 -12.475 1.00 0.00 N ATOM 1474 CA GLY A 633 -2.904 -12.335 -11.986 1.00 0.00 C ATOM 1475 C GLY A 633 -1.456 -12.776 -11.768 1.00 0.00 C ATOM 1476 O GLY A 633 -1.134 -13.955 -11.910 1.00 0.00 O ATOM 0 H GLY A 633 -3.485 -10.325 -11.880 1.00 0.00 H new ATOM 0 HA2 GLY A 633 -3.457 -12.415 -11.050 1.00 0.00 H new ATOM 0 HA3 GLY A 633 -3.387 -13.002 -12.700 1.00 0.00 H new TER 1480 GLY A 633