USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=30 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 105:sc= 1.05 USER MOD Set 1.2: A 610 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 600 SER OG : rot -130:sc= -0.344 USER MOD Set 2.2: A 605 ASN : amide:sc= -1.16! C(o=-1.5!,f=-7.1!) USER MOD Set 3.1: A 537 THR OG1 : rot 180:sc= -0.226 USER MOD Set 3.2: A 578 THR OG1 : rot 180:sc= -0.0257 USER MOD Set 4.1: A 545 ASN : amide:sc= -2.88! K(o=-2.9!,f=-1.3) USER MOD Set 4.2: A 546 SER OG : rot 180:sc= 0 USER MOD Single : A 532 THR OG1 : rot 180:sc= 0 USER MOD Single : A 533 THR OG1 : rot 57:sc= 0.964 USER MOD Single : A 534 ASN : amide:sc= -2.3! C(o=-2.3!,f=-2.6!) USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 539 TYR OH : rot 180:sc= -0.609 USER MOD Single : A 540 TYR OH : rot 120:sc= 0 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 : no HD1:sc= -5.57 K(o=-5.6,f=-4.7) USER MOD Single : A 551 TYR OH : rot -108:sc= -1.04 USER MOD Single : A 557 SER OG : rot 180:sc= 0 USER MOD Single : A 559 THR OG1 : rot 180:sc= 0 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 566 MET CE :methyl -155:sc= -4.9! (180deg=-8.99!) USER MOD Single : A 567 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.64) USER MOD Single : A 572 SER OG : rot 73:sc= 0.376 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= -0.599 X(o=-0.6,f=-0.43) USER MOD Single : A 592 ASN : amide:sc= -0.778 K(o=-0.78,f=-3!) USER MOD Single : A 595 ASN : amide:sc=-0.00464 K(o=-0.0046,f=-1) USER MOD Single : A 596 ASN : amide:sc= -2.21! C(o=-2.2!,f=-3.9!) USER MOD Single : A 597 ASN : amide:sc= -0.205 K(o=-0.21,f=-0.92!) USER MOD Single : A 601 ASN : amide:sc= -4.82! C(o=-4.8!,f=-4.3!) USER MOD Single : A 602 ASN : amide:sc= -0.0162 X(o=-0.016,f=-0.13) 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 606 TYR OH : rot -16:sc= 0.442 USER MOD Single : A 612 THR OG1 : rot 180:sc= 0 USER MOD Single : A 613 SER OG : rot 167:sc= 1.46 USER MOD Single : A 614 THR OG1 : rot 170:sc= -1.04 USER MOD Single : A 615 TYR OH : rot -140:sc= -2.06 USER MOD Single : A 616 THR OG1 : rot 180:sc= 0 USER MOD Single : A 619 SER OG : rot 74:sc= 1.15 USER MOD Single : A 620 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.02) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 628 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 530 -6.457 21.983 -4.724 1.00 0.00 N ATOM 2 CA GLY A 530 -5.339 22.041 -3.797 1.00 0.00 C ATOM 3 C GLY A 530 -4.022 21.715 -4.505 1.00 0.00 C ATOM 4 O GLY A 530 -3.246 20.888 -4.030 1.00 0.00 O ATOM 0 HA2 GLY A 530 -5.281 23.035 -3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 530 -5.501 21.337 -2.981 1.00 0.00 H new ATOM 8 N GLY A 531 -3.811 22.382 -5.630 1.00 0.00 N ATOM 9 CA GLY A 531 -2.602 22.173 -6.408 1.00 0.00 C ATOM 10 C GLY A 531 -2.473 20.711 -6.841 1.00 0.00 C ATOM 11 O GLY A 531 -2.016 19.870 -6.069 1.00 0.00 O ATOM 0 H GLY A 531 -4.457 23.068 -6.021 1.00 0.00 H new ATOM 0 HA2 GLY A 531 -2.616 22.816 -7.288 1.00 0.00 H new ATOM 0 HA3 GLY A 531 -1.732 22.459 -5.818 1.00 0.00 H new ATOM 15 N THR A 532 -2.886 20.454 -8.073 1.00 0.00 N ATOM 16 CA THR A 532 -2.823 19.108 -8.618 1.00 0.00 C ATOM 17 C THR A 532 -3.663 18.150 -7.771 1.00 0.00 C ATOM 18 O THR A 532 -4.152 18.524 -6.705 1.00 0.00 O ATOM 19 CB THR A 532 -1.350 18.705 -8.711 1.00 0.00 C ATOM 20 OG1 THR A 532 -0.818 19.561 -9.718 1.00 0.00 O ATOM 21 CG2 THR A 532 -1.164 17.297 -9.282 1.00 0.00 C ATOM 0 H THR A 532 -3.266 21.155 -8.710 1.00 0.00 H new ATOM 0 HA THR A 532 -3.251 19.066 -9.620 1.00 0.00 H new ATOM 0 HB THR A 532 -0.896 18.759 -7.722 1.00 0.00 H new ATOM 0 HG1 THR A 532 0.135 19.368 -9.841 1.00 0.00 H new ATOM 0 HG21 THR A 532 -0.101 17.060 -9.327 1.00 0.00 H new ATOM 0 HG22 THR A 532 -1.670 16.575 -8.641 1.00 0.00 H new ATOM 0 HG23 THR A 532 -1.588 17.252 -10.285 1.00 0.00 H new ATOM 29 N THR A 533 -3.806 16.934 -8.276 1.00 0.00 N ATOM 30 CA THR A 533 -4.578 15.920 -7.579 1.00 0.00 C ATOM 31 C THR A 533 -4.399 14.557 -8.252 1.00 0.00 C ATOM 32 O THR A 533 -5.198 14.171 -9.103 1.00 0.00 O ATOM 33 CB THR A 533 -6.035 16.386 -7.530 1.00 0.00 C ATOM 34 OG1 THR A 533 -6.209 16.837 -6.190 1.00 0.00 O ATOM 35 CG2 THR A 533 -7.025 15.227 -7.665 1.00 0.00 C ATOM 0 H THR A 533 -3.400 16.628 -9.160 1.00 0.00 H new ATOM 0 HA THR A 533 -4.228 15.791 -6.555 1.00 0.00 H new ATOM 0 HB THR A 533 -6.212 17.109 -8.326 1.00 0.00 H new ATOM 0 HG1 THR A 533 -5.553 17.538 -5.993 1.00 0.00 H new ATOM 0 HG21 THR A 533 -8.044 15.612 -7.624 1.00 0.00 H new ATOM 0 HG22 THR A 533 -6.866 14.722 -8.618 1.00 0.00 H new ATOM 0 HG23 THR A 533 -6.871 14.520 -6.850 1.00 0.00 H new ATOM 43 N ASN A 534 -3.344 13.866 -7.844 1.00 0.00 N ATOM 44 CA ASN A 534 -3.050 12.555 -8.396 1.00 0.00 C ATOM 45 C ASN A 534 -3.538 11.476 -7.427 1.00 0.00 C ATOM 46 O ASN A 534 -4.119 11.787 -6.388 1.00 0.00 O ATOM 47 CB ASN A 534 -1.545 12.366 -8.594 1.00 0.00 C ATOM 48 CG ASN A 534 -1.214 12.095 -10.063 1.00 0.00 C ATOM 49 OD1 ASN A 534 -1.965 11.463 -10.788 1.00 0.00 O ATOM 50 ND2 ASN A 534 -0.053 12.606 -10.460 1.00 0.00 N ATOM 0 H ASN A 534 -2.683 14.190 -7.138 1.00 0.00 H new ATOM 0 HA ASN A 534 -3.554 12.475 -9.359 1.00 0.00 H new ATOM 0 HB2 ASN A 534 -1.016 13.257 -8.257 1.00 0.00 H new ATOM 0 HB3 ASN A 534 -1.195 11.536 -7.980 1.00 0.00 H new ATOM 0 HD21 ASN A 534 0.257 12.479 -11.423 1.00 0.00 H new ATOM 0 HD22 ASN A 534 0.528 13.125 -9.801 1.00 0.00 H new ATOM 57 N LYS A 535 -3.284 10.231 -7.800 1.00 0.00 N ATOM 58 CA LYS A 535 -3.691 9.105 -6.977 1.00 0.00 C ATOM 59 C LYS A 535 -2.642 7.996 -7.083 1.00 0.00 C ATOM 60 O LYS A 535 -1.949 7.887 -8.094 1.00 0.00 O ATOM 61 CB LYS A 535 -5.104 8.652 -7.349 1.00 0.00 C ATOM 62 CG LYS A 535 -6.088 9.823 -7.292 1.00 0.00 C ATOM 63 CD LYS A 535 -7.534 9.328 -7.355 1.00 0.00 C ATOM 64 CE LYS A 535 -8.177 9.682 -8.698 1.00 0.00 C ATOM 65 NZ LYS A 535 -8.649 11.085 -8.692 1.00 0.00 N ATOM 0 H LYS A 535 -2.801 9.977 -8.662 1.00 0.00 H new ATOM 0 HA LYS A 535 -3.741 9.398 -5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 535 -5.100 8.224 -8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 535 -5.429 7.866 -6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 535 -5.933 10.388 -6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 535 -5.897 10.504 -8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 535 -7.559 8.248 -7.209 1.00 0.00 H new ATOM 0 HD3 LYS A 535 -8.110 9.773 -6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 535 -7.456 9.538 -9.503 1.00 0.00 H new ATOM 0 HE3 LYS A 535 -9.013 9.011 -8.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 -9.083 11.309 -9.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 -9.353 11.211 -7.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 -7.844 11.721 -8.525 1.00 0.00 H new ATOM 78 N VAL A 536 -2.559 7.201 -6.027 1.00 0.00 N ATOM 79 CA VAL A 536 -1.606 6.104 -5.989 1.00 0.00 C ATOM 80 C VAL A 536 -2.362 4.783 -5.832 1.00 0.00 C ATOM 81 O VAL A 536 -3.004 4.549 -4.809 1.00 0.00 O ATOM 82 CB VAL A 536 -0.580 6.341 -4.879 1.00 0.00 C ATOM 83 CG1 VAL A 536 0.204 7.632 -5.124 1.00 0.00 C ATOM 84 CG2 VAL A 536 -1.253 6.360 -3.505 1.00 0.00 C ATOM 0 H VAL A 536 -3.136 7.294 -5.191 1.00 0.00 H new ATOM 0 HA VAL A 536 -1.048 6.050 -6.924 1.00 0.00 H new ATOM 0 HB VAL A 536 0.127 5.512 -4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 536 0.926 7.777 -4.321 1.00 0.00 H new ATOM 0 HG12 VAL A 536 0.729 7.563 -6.077 1.00 0.00 H new ATOM 0 HG13 VAL A 536 -0.485 8.477 -5.149 1.00 0.00 H new ATOM 0 HG21 VAL A 536 -0.501 6.530 -2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -1.993 7.160 -3.473 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -1.745 5.404 -3.327 1.00 0.00 H new ATOM 94 N THR A 537 -2.261 3.955 -6.861 1.00 0.00 N ATOM 95 CA THR A 537 -2.927 2.664 -6.851 1.00 0.00 C ATOM 96 C THR A 537 -1.931 1.553 -6.510 1.00 0.00 C ATOM 97 O THR A 537 -0.937 1.369 -7.211 1.00 0.00 O ATOM 98 CB THR A 537 -3.610 2.473 -8.206 1.00 0.00 C ATOM 99 OG1 THR A 537 -4.561 3.532 -8.268 1.00 0.00 O ATOM 100 CG2 THR A 537 -4.462 1.203 -8.259 1.00 0.00 C ATOM 0 H THR A 537 -1.728 4.153 -7.708 1.00 0.00 H new ATOM 0 HA THR A 537 -3.693 2.620 -6.077 1.00 0.00 H new ATOM 0 HB THR A 537 -2.854 2.436 -8.991 1.00 0.00 H new ATOM 0 HG1 THR A 537 -5.049 3.485 -9.117 1.00 0.00 H new ATOM 0 HG21 THR A 537 -4.924 1.116 -9.242 1.00 0.00 H new ATOM 0 HG22 THR A 537 -3.831 0.333 -8.076 1.00 0.00 H new ATOM 0 HG23 THR A 537 -5.239 1.254 -7.496 1.00 0.00 H new ATOM 108 N VAL A 538 -2.233 0.841 -5.434 1.00 0.00 N ATOM 109 CA VAL A 538 -1.377 -0.246 -4.992 1.00 0.00 C ATOM 110 C VAL A 538 -2.217 -1.513 -4.817 1.00 0.00 C ATOM 111 O VAL A 538 -3.309 -1.464 -4.252 1.00 0.00 O ATOM 112 CB VAL A 538 -0.632 0.158 -3.718 1.00 0.00 C ATOM 113 CG1 VAL A 538 0.549 -0.778 -3.453 1.00 0.00 C ATOM 114 CG2 VAL A 538 -0.172 1.615 -3.791 1.00 0.00 C ATOM 0 H VAL A 538 -3.059 0.996 -4.856 1.00 0.00 H new ATOM 0 HA VAL A 538 -0.616 -0.461 -5.742 1.00 0.00 H new ATOM 0 HB VAL A 538 -1.325 0.067 -2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 538 1.061 -0.469 -2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 538 0.185 -1.799 -3.336 1.00 0.00 H new ATOM 0 HG13 VAL A 538 1.243 -0.734 -4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 538 0.355 1.877 -2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 538 0.497 1.743 -4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 538 -1.039 2.265 -3.910 1.00 0.00 H new ATOM 124 N TYR A 539 -1.677 -2.617 -5.311 1.00 0.00 N ATOM 125 CA TYR A 539 -2.364 -3.893 -5.216 1.00 0.00 C ATOM 126 C TYR A 539 -1.659 -4.823 -4.227 1.00 0.00 C ATOM 127 O TYR A 539 -0.436 -4.953 -4.254 1.00 0.00 O ATOM 128 CB TYR A 539 -2.300 -4.512 -6.614 1.00 0.00 C ATOM 129 CG TYR A 539 -3.513 -4.196 -7.491 1.00 0.00 C ATOM 130 CD1 TYR A 539 -3.861 -2.884 -7.740 1.00 0.00 C ATOM 131 CD2 TYR A 539 -4.259 -5.223 -8.033 1.00 0.00 C ATOM 132 CE1 TYR A 539 -5.003 -2.587 -8.565 1.00 0.00 C ATOM 133 CE2 TYR A 539 -5.401 -4.925 -8.858 1.00 0.00 C ATOM 134 CZ TYR A 539 -5.716 -3.622 -9.084 1.00 0.00 C ATOM 135 OH TYR A 539 -6.795 -3.341 -9.863 1.00 0.00 O ATOM 0 H TYR A 539 -0.771 -2.654 -5.778 1.00 0.00 H new ATOM 0 HA TYR A 539 -3.387 -3.753 -4.867 1.00 0.00 H new ATOM 0 HB2 TYR A 539 -1.400 -4.158 -7.116 1.00 0.00 H new ATOM 0 HB3 TYR A 539 -2.207 -5.594 -6.517 1.00 0.00 H new ATOM 0 HD1 TYR A 539 -3.277 -2.080 -7.316 1.00 0.00 H new ATOM 0 HD2 TYR A 539 -3.986 -6.250 -7.838 1.00 0.00 H new ATOM 0 HE1 TYR A 539 -5.287 -1.565 -8.767 1.00 0.00 H new ATOM 0 HE2 TYR A 539 -5.994 -5.719 -9.288 1.00 0.00 H new ATOM 0 HH TYR A 539 -7.207 -4.177 -10.165 1.00 0.00 H new ATOM 145 N TYR A 540 -2.460 -5.447 -3.375 1.00 0.00 N ATOM 146 CA TYR A 540 -1.928 -6.361 -2.379 1.00 0.00 C ATOM 147 C TYR A 540 -2.479 -7.774 -2.581 1.00 0.00 C ATOM 148 O TYR A 540 -3.660 -7.947 -2.876 1.00 0.00 O ATOM 149 CB TYR A 540 -2.402 -5.831 -1.024 1.00 0.00 C ATOM 150 CG TYR A 540 -2.391 -6.877 0.092 1.00 0.00 C ATOM 151 CD1 TYR A 540 -1.315 -7.731 0.227 1.00 0.00 C ATOM 152 CD2 TYR A 540 -3.457 -6.968 0.963 1.00 0.00 C ATOM 153 CE1 TYR A 540 -1.305 -8.716 1.277 1.00 0.00 C ATOM 154 CE2 TYR A 540 -3.447 -7.953 2.013 1.00 0.00 C ATOM 155 CZ TYR A 540 -2.371 -8.778 2.119 1.00 0.00 C ATOM 156 OH TYR A 540 -2.362 -9.708 3.111 1.00 0.00 O ATOM 0 H TYR A 540 -3.474 -5.337 -3.354 1.00 0.00 H new ATOM 0 HA TYR A 540 -0.842 -6.416 -2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 540 -1.767 -4.995 -0.730 1.00 0.00 H new ATOM 0 HB3 TYR A 540 -3.414 -5.441 -1.132 1.00 0.00 H new ATOM 0 HD1 TYR A 540 -0.481 -7.660 -0.455 1.00 0.00 H new ATOM 0 HD2 TYR A 540 -4.299 -6.300 0.857 1.00 0.00 H new ATOM 0 HE1 TYR A 540 -0.470 -9.391 1.393 1.00 0.00 H new ATOM 0 HE2 TYR A 540 -4.275 -8.035 2.701 1.00 0.00 H new ATOM 0 HH TYR A 540 -2.417 -9.259 3.981 1.00 0.00 H new ATOM 166 N LYS A 541 -1.596 -8.748 -2.415 1.00 0.00 N ATOM 167 CA LYS A 541 -1.979 -10.140 -2.576 1.00 0.00 C ATOM 168 C LYS A 541 -2.373 -10.717 -1.214 1.00 0.00 C ATOM 169 O LYS A 541 -1.535 -10.842 -0.323 1.00 0.00 O ATOM 170 CB LYS A 541 -0.868 -10.924 -3.277 1.00 0.00 C ATOM 171 CG LYS A 541 -1.344 -12.328 -3.657 1.00 0.00 C ATOM 172 CD LYS A 541 -0.340 -13.389 -3.200 1.00 0.00 C ATOM 173 CE LYS A 541 -0.259 -14.537 -4.209 1.00 0.00 C ATOM 174 NZ LYS A 541 1.149 -14.941 -4.422 1.00 0.00 N ATOM 0 H LYS A 541 -0.617 -8.600 -2.171 1.00 0.00 H new ATOM 0 HA LYS A 541 -2.853 -10.222 -3.223 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -0.550 -10.389 -4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 541 0.001 -10.995 -2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -2.316 -12.522 -3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -1.479 -12.391 -4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 541 0.644 -12.936 -3.079 1.00 0.00 H new ATOM 0 HD3 LYS A 541 -0.634 -13.777 -2.225 1.00 0.00 H new ATOM 0 HE2 LYS A 541 -0.837 -15.388 -3.848 1.00 0.00 H new ATOM 0 HE3 LYS A 541 -0.702 -14.229 -5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 1.186 -15.721 -5.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 1.691 -14.132 -4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 1.560 -15.255 -3.520 1.00 0.00 H new ATOM 187 N LYS A 542 -3.649 -11.052 -1.096 1.00 0.00 N ATOM 188 CA LYS A 542 -4.165 -11.613 0.141 1.00 0.00 C ATOM 189 C LYS A 542 -4.131 -13.140 0.058 1.00 0.00 C ATOM 190 O LYS A 542 -4.398 -13.713 -0.997 1.00 0.00 O ATOM 191 CB LYS A 542 -5.551 -11.044 0.451 1.00 0.00 C ATOM 192 CG LYS A 542 -6.411 -12.069 1.193 1.00 0.00 C ATOM 193 CD LYS A 542 -7.461 -11.376 2.063 1.00 0.00 C ATOM 194 CE LYS A 542 -8.153 -10.248 1.295 1.00 0.00 C ATOM 195 NZ LYS A 542 -9.458 -9.924 1.912 1.00 0.00 N ATOM 0 H LYS A 542 -4.342 -10.946 -1.837 1.00 0.00 H new ATOM 0 HA LYS A 542 -3.533 -11.326 0.981 1.00 0.00 H new ATOM 0 HB2 LYS A 542 -5.451 -10.142 1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 542 -6.044 -10.753 -0.476 1.00 0.00 H new ATOM 0 HG2 LYS A 542 -6.904 -12.724 0.474 1.00 0.00 H new ATOM 0 HG3 LYS A 542 -5.776 -12.699 1.816 1.00 0.00 H new ATOM 0 HD2 LYS A 542 -8.202 -12.104 2.393 1.00 0.00 H new ATOM 0 HD3 LYS A 542 -6.988 -10.974 2.959 1.00 0.00 H new ATOM 0 HE2 LYS A 542 -7.518 -9.362 1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 542 -8.299 -10.544 0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 542 -9.914 -9.157 1.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 542 -10.068 -10.766 1.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 542 -9.311 -9.621 2.896 1.00 0.00 H new ATOM 208 N GLY A 543 -3.800 -13.755 1.184 1.00 0.00 N ATOM 209 CA GLY A 543 -3.498 -13.000 2.388 1.00 0.00 C ATOM 210 C GLY A 543 -4.015 -13.725 3.633 1.00 0.00 C ATOM 211 O GLY A 543 -3.778 -14.919 3.804 1.00 0.00 O ATOM 0 H GLY A 543 -3.734 -14.768 1.288 1.00 0.00 H new ATOM 0 HA2 GLY A 543 -2.421 -12.853 2.469 1.00 0.00 H new ATOM 0 HA3 GLY A 543 -3.951 -12.011 2.324 1.00 0.00 H new ATOM 215 N PHE A 544 -4.712 -12.971 4.470 1.00 0.00 N ATOM 216 CA PHE A 544 -5.265 -13.526 5.694 1.00 0.00 C ATOM 217 C PHE A 544 -6.792 -13.434 5.697 1.00 0.00 C ATOM 218 O PHE A 544 -7.436 -13.704 4.684 1.00 0.00 O ATOM 219 CB PHE A 544 -4.713 -12.692 6.852 1.00 0.00 C ATOM 220 CG PHE A 544 -3.203 -12.454 6.784 1.00 0.00 C ATOM 221 CD1 PHE A 544 -2.686 -11.638 5.827 1.00 0.00 C ATOM 222 CD2 PHE A 544 -2.378 -13.060 7.680 1.00 0.00 C ATOM 223 CE1 PHE A 544 -1.285 -11.417 5.764 1.00 0.00 C ATOM 224 CE2 PHE A 544 -0.977 -12.839 7.616 1.00 0.00 C ATOM 225 CZ PHE A 544 -0.460 -12.022 6.660 1.00 0.00 C ATOM 0 H PHE A 544 -4.907 -11.980 4.325 1.00 0.00 H new ATOM 0 HA PHE A 544 -4.991 -14.577 5.783 1.00 0.00 H new ATOM 0 HB2 PHE A 544 -5.222 -11.728 6.867 1.00 0.00 H new ATOM 0 HB3 PHE A 544 -4.950 -13.192 7.791 1.00 0.00 H new ATOM 0 HD1 PHE A 544 -3.341 -11.158 5.115 1.00 0.00 H new ATOM 0 HD2 PHE A 544 -2.789 -13.709 8.440 1.00 0.00 H new ATOM 0 HE1 PHE A 544 -0.874 -10.768 5.004 1.00 0.00 H new ATOM 0 HE2 PHE A 544 -0.322 -13.320 8.327 1.00 0.00 H new ATOM 0 HZ PHE A 544 0.606 -11.854 6.612 1.00 0.00 H new ATOM 235 N ASN A 545 -7.328 -13.051 6.847 1.00 0.00 N ATOM 236 CA ASN A 545 -8.767 -12.920 6.995 1.00 0.00 C ATOM 237 C ASN A 545 -9.145 -11.438 6.970 1.00 0.00 C ATOM 238 O ASN A 545 -10.053 -11.038 6.244 1.00 0.00 O ATOM 239 CB ASN A 545 -9.239 -13.506 8.328 1.00 0.00 C ATOM 240 CG ASN A 545 -8.340 -13.047 9.478 1.00 0.00 C ATOM 241 OD1 ASN A 545 -8.678 -12.166 10.250 1.00 0.00 O ATOM 242 ND2 ASN A 545 -7.179 -13.692 9.547 1.00 0.00 N ATOM 0 H ASN A 545 -6.791 -12.827 7.685 1.00 0.00 H new ATOM 0 HA ASN A 545 -9.241 -13.460 6.175 1.00 0.00 H new ATOM 0 HB2 ASN A 545 -10.267 -13.199 8.521 1.00 0.00 H new ATOM 0 HB3 ASN A 545 -9.237 -14.595 8.272 1.00 0.00 H new ATOM 0 HD21 ASN A 545 -6.509 -13.458 10.279 1.00 0.00 H new ATOM 0 HD22 ASN A 545 -6.959 -14.420 8.868 1.00 0.00 H new ATOM 249 N SER A 546 -8.429 -10.664 7.772 1.00 0.00 N ATOM 250 CA SER A 546 -8.678 -9.234 7.851 1.00 0.00 C ATOM 251 C SER A 546 -7.352 -8.476 7.929 1.00 0.00 C ATOM 252 O SER A 546 -7.029 -7.887 8.960 1.00 0.00 O ATOM 253 CB SER A 546 -9.556 -8.894 9.057 1.00 0.00 C ATOM 254 OG SER A 546 -10.797 -9.594 9.029 1.00 0.00 O ATOM 0 H SER A 546 -7.676 -11.000 8.373 1.00 0.00 H new ATOM 0 HA SER A 546 -9.211 -8.929 6.950 1.00 0.00 H new ATOM 0 HB2 SER A 546 -9.022 -9.140 9.975 1.00 0.00 H new ATOM 0 HB3 SER A 546 -9.746 -7.821 9.076 1.00 0.00 H new ATOM 0 HG SER A 546 -11.328 -9.351 9.816 1.00 0.00 H new ATOM 260 N PRO A 547 -6.600 -8.515 6.797 1.00 0.00 N ATOM 261 CA PRO A 547 -5.316 -7.838 6.727 1.00 0.00 C ATOM 262 C PRO A 547 -5.501 -6.325 6.593 1.00 0.00 C ATOM 263 O PRO A 547 -6.406 -5.866 5.898 1.00 0.00 O ATOM 264 CB PRO A 547 -4.609 -8.459 5.533 1.00 0.00 C ATOM 265 CG PRO A 547 -5.695 -9.123 4.704 1.00 0.00 C ATOM 266 CD PRO A 547 -6.950 -9.203 5.558 1.00 0.00 C ATOM 0 HA PRO A 547 -4.723 -7.964 7.633 1.00 0.00 H new ATOM 0 HB2 PRO A 547 -4.084 -7.701 4.953 1.00 0.00 H new ATOM 0 HB3 PRO A 547 -3.864 -9.187 5.855 1.00 0.00 H new ATOM 0 HG2 PRO A 547 -5.887 -8.550 3.797 1.00 0.00 H new ATOM 0 HG3 PRO A 547 -5.382 -10.119 4.392 1.00 0.00 H new ATOM 0 HD2 PRO A 547 -7.796 -8.724 5.065 1.00 0.00 H new ATOM 0 HD3 PRO A 547 -7.235 -10.238 5.747 1.00 0.00 H new ATOM 274 N TYR A 548 -4.628 -5.593 7.269 1.00 0.00 N ATOM 275 CA TYR A 548 -4.684 -4.141 7.234 1.00 0.00 C ATOM 276 C TYR A 548 -3.344 -3.552 6.786 1.00 0.00 C ATOM 277 O TYR A 548 -2.292 -4.145 7.020 1.00 0.00 O ATOM 278 CB TYR A 548 -4.969 -3.695 8.670 1.00 0.00 C ATOM 279 CG TYR A 548 -6.409 -3.236 8.904 1.00 0.00 C ATOM 280 CD1 TYR A 548 -6.771 -1.932 8.629 1.00 0.00 C ATOM 281 CD2 TYR A 548 -7.347 -4.124 9.389 1.00 0.00 C ATOM 282 CE1 TYR A 548 -8.127 -1.500 8.850 1.00 0.00 C ATOM 283 CE2 TYR A 548 -8.702 -3.692 9.610 1.00 0.00 C ATOM 284 CZ TYR A 548 -9.025 -2.401 9.329 1.00 0.00 C ATOM 285 OH TYR A 548 -10.306 -1.992 9.537 1.00 0.00 O ATOM 0 H TYR A 548 -3.878 -5.978 7.844 1.00 0.00 H new ATOM 0 HA TYR A 548 -5.446 -3.803 6.532 1.00 0.00 H new ATOM 0 HB2 TYR A 548 -4.747 -4.520 9.347 1.00 0.00 H new ATOM 0 HB3 TYR A 548 -4.292 -2.880 8.928 1.00 0.00 H new ATOM 0 HD1 TYR A 548 -6.038 -1.237 8.248 1.00 0.00 H new ATOM 0 HD2 TYR A 548 -7.064 -5.144 9.603 1.00 0.00 H new ATOM 0 HE1 TYR A 548 -8.424 -0.483 8.640 1.00 0.00 H new ATOM 0 HE2 TYR A 548 -9.445 -4.377 9.990 1.00 0.00 H new ATOM 0 HH TYR A 548 -10.837 -2.741 9.880 1.00 0.00 H new ATOM 295 N ILE A 549 -3.427 -2.393 6.151 1.00 0.00 N ATOM 296 CA ILE A 549 -2.235 -1.717 5.668 1.00 0.00 C ATOM 297 C ILE A 549 -2.212 -0.285 6.207 1.00 0.00 C ATOM 298 O ILE A 549 -3.258 0.347 6.345 1.00 0.00 O ATOM 299 CB ILE A 549 -2.152 -1.801 4.143 1.00 0.00 C ATOM 300 CG1 ILE A 549 -2.218 -3.255 3.669 1.00 0.00 C ATOM 301 CG2 ILE A 549 -0.905 -1.085 3.621 1.00 0.00 C ATOM 302 CD1 ILE A 549 -1.612 -3.405 2.272 1.00 0.00 C ATOM 0 H ILE A 549 -4.302 -1.904 5.959 1.00 0.00 H new ATOM 0 HA ILE A 549 -1.339 -2.213 6.041 1.00 0.00 H new ATOM 0 HB ILE A 549 -3.017 -1.286 3.726 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -1.684 -3.895 4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -3.255 -3.591 3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -0.871 -1.160 2.534 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -0.940 -0.035 3.911 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -0.015 -1.549 4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -1.672 -4.448 1.960 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -2.164 -2.783 1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -0.568 -3.092 2.293 1.00 0.00 H new ATOM 314 N HIS A 550 -1.008 0.185 6.497 1.00 0.00 N ATOM 315 CA HIS A 550 -0.835 1.530 7.018 1.00 0.00 C ATOM 316 C HIS A 550 0.146 2.301 6.132 1.00 0.00 C ATOM 317 O HIS A 550 1.322 1.949 6.049 1.00 0.00 O ATOM 318 CB HIS A 550 -0.405 1.494 8.485 1.00 0.00 C ATOM 319 CG HIS A 550 -0.519 2.824 9.192 1.00 0.00 C ATOM 320 ND1 HIS A 550 -1.199 3.902 8.654 1.00 0.00 N ATOM 321 CD2 HIS A 550 -0.033 3.237 10.397 1.00 0.00 C ATOM 322 CE1 HIS A 550 -1.119 4.914 9.506 1.00 0.00 C ATOM 323 NE2 HIS A 550 -0.395 4.500 10.586 1.00 0.00 N ATOM 0 H HIS A 550 -0.142 -0.342 6.381 1.00 0.00 H new ATOM 0 HA HIS A 550 -1.788 2.059 6.992 1.00 0.00 H new ATOM 0 HB2 HIS A 550 -1.014 0.760 9.013 1.00 0.00 H new ATOM 0 HB3 HIS A 550 0.628 1.151 8.542 1.00 0.00 H new ATOM 0 HD2 HIS A 550 0.548 2.638 11.082 1.00 0.00 H new ATOM 0 HE1 HIS A 550 -1.551 5.894 9.369 1.00 0.00 H new ATOM 0 HE2 HIS A 550 -0.169 5.067 11.403 1.00 0.00 H new ATOM 331 N TYR A 551 -0.374 3.339 5.492 1.00 0.00 N ATOM 332 CA TYR A 551 0.441 4.163 4.616 1.00 0.00 C ATOM 333 C TYR A 551 0.352 5.638 5.011 1.00 0.00 C ATOM 334 O TYR A 551 -0.602 6.052 5.667 1.00 0.00 O ATOM 335 CB TYR A 551 -0.140 3.987 3.211 1.00 0.00 C ATOM 336 CG TYR A 551 -1.490 3.267 3.182 1.00 0.00 C ATOM 337 CD1 TYR A 551 -2.633 3.928 3.585 1.00 0.00 C ATOM 338 CD2 TYR A 551 -1.564 1.958 2.753 1.00 0.00 C ATOM 339 CE1 TYR A 551 -3.903 3.250 3.557 1.00 0.00 C ATOM 340 CE2 TYR A 551 -2.835 1.280 2.725 1.00 0.00 C ATOM 341 CZ TYR A 551 -3.941 1.960 3.128 1.00 0.00 C ATOM 342 OH TYR A 551 -5.141 1.320 3.102 1.00 0.00 O ATOM 0 H TYR A 551 -1.350 3.628 5.563 1.00 0.00 H new ATOM 0 HA TYR A 551 1.488 3.867 4.676 1.00 0.00 H new ATOM 0 HB2 TYR A 551 -0.253 4.968 2.750 1.00 0.00 H new ATOM 0 HB3 TYR A 551 0.571 3.429 2.602 1.00 0.00 H new ATOM 0 HD1 TYR A 551 -2.575 4.953 3.921 1.00 0.00 H new ATOM 0 HD2 TYR A 551 -0.669 1.441 2.438 1.00 0.00 H new ATOM 0 HE1 TYR A 551 -4.805 3.755 3.870 1.00 0.00 H new ATOM 0 HE2 TYR A 551 -2.907 0.255 2.392 1.00 0.00 H new ATOM 0 HH TYR A 551 -5.174 0.657 3.823 1.00 0.00 H new ATOM 352 N ARG A 552 1.360 6.391 4.595 1.00 0.00 N ATOM 353 CA ARG A 552 1.408 7.811 4.897 1.00 0.00 C ATOM 354 C ARG A 552 1.820 8.605 3.656 1.00 0.00 C ATOM 355 O ARG A 552 2.773 8.240 2.970 1.00 0.00 O ATOM 356 CB ARG A 552 2.396 8.100 6.030 1.00 0.00 C ATOM 357 CG ARG A 552 2.943 9.526 5.929 1.00 0.00 C ATOM 358 CD ARG A 552 4.315 9.540 5.252 1.00 0.00 C ATOM 359 NE ARG A 552 5.354 9.093 6.206 1.00 0.00 N ATOM 360 CZ ARG A 552 6.653 9.456 6.135 1.00 0.00 C ATOM 361 NH1 ARG A 552 7.082 10.276 5.153 1.00 0.00 N ATOM 362 NH2 ARG A 552 7.496 8.996 7.041 1.00 0.00 N ATOM 0 H ARG A 552 2.150 6.044 4.051 1.00 0.00 H new ATOM 0 HA ARG A 552 0.410 8.116 5.213 1.00 0.00 H new ATOM 0 HB2 ARG A 552 1.902 7.963 6.992 1.00 0.00 H new ATOM 0 HB3 ARG A 552 3.219 7.387 5.990 1.00 0.00 H new ATOM 0 HG2 ARG A 552 2.248 10.147 5.363 1.00 0.00 H new ATOM 0 HG3 ARG A 552 3.021 9.961 6.925 1.00 0.00 H new ATOM 0 HD2 ARG A 552 4.306 8.887 4.379 1.00 0.00 H new ATOM 0 HD3 ARG A 552 4.544 10.545 4.896 1.00 0.00 H new ATOM 0 HE ARG A 552 5.072 8.472 6.964 1.00 0.00 H new ATOM 0 HH11 ARG A 552 6.424 10.626 4.457 1.00 0.00 H new ATOM 0 HH12 ARG A 552 8.065 10.545 5.106 1.00 0.00 H new ATOM 0 HH21 ARG A 552 7.163 8.377 7.780 1.00 0.00 H new ATOM 0 HH22 ARG A 552 8.480 9.260 7.002 1.00 0.00 H new ATOM 375 N PRO A 553 1.061 9.703 3.398 1.00 0.00 N ATOM 376 CA PRO A 553 1.337 10.551 2.251 1.00 0.00 C ATOM 377 C PRO A 553 2.572 11.420 2.497 1.00 0.00 C ATOM 378 O PRO A 553 2.927 11.692 3.643 1.00 0.00 O ATOM 379 CB PRO A 553 0.069 11.365 2.049 1.00 0.00 C ATOM 380 CG PRO A 553 -0.694 11.281 3.361 1.00 0.00 C ATOM 381 CD PRO A 553 -0.077 10.165 4.188 1.00 0.00 C ATOM 0 HA PRO A 553 1.575 9.980 1.353 1.00 0.00 H new ATOM 0 HB2 PRO A 553 0.305 12.400 1.800 1.00 0.00 H new ATOM 0 HB3 PRO A 553 -0.524 10.966 1.226 1.00 0.00 H new ATOM 0 HG2 PRO A 553 -0.638 12.229 3.897 1.00 0.00 H new ATOM 0 HG3 PRO A 553 -1.749 11.081 3.177 1.00 0.00 H new ATOM 0 HD2 PRO A 553 0.241 10.526 5.166 1.00 0.00 H new ATOM 0 HD3 PRO A 553 -0.791 9.360 4.362 1.00 0.00 H new ATOM 389 N ALA A 554 3.194 11.832 1.401 1.00 0.00 N ATOM 390 CA ALA A 554 4.382 12.664 1.483 1.00 0.00 C ATOM 391 C ALA A 554 4.199 13.699 2.595 1.00 0.00 C ATOM 392 O ALA A 554 5.170 14.125 3.218 1.00 0.00 O ATOM 393 CB ALA A 554 4.648 13.310 0.122 1.00 0.00 C ATOM 0 H ALA A 554 2.897 11.605 0.452 1.00 0.00 H new ATOM 0 HA ALA A 554 5.256 12.062 1.734 1.00 0.00 H new ATOM 0 HB1 ALA A 554 5.539 13.934 0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 554 4.801 12.532 -0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 554 3.794 13.924 -0.162 1.00 0.00 H new ATOM 399 N GLY A 555 2.946 14.076 2.808 1.00 0.00 N ATOM 400 CA GLY A 555 2.623 15.053 3.833 1.00 0.00 C ATOM 401 C GLY A 555 3.223 14.652 5.183 1.00 0.00 C ATOM 402 O GLY A 555 3.434 15.499 6.049 1.00 0.00 O ATOM 0 H GLY A 555 2.143 13.722 2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 555 3.002 16.032 3.539 1.00 0.00 H new ATOM 0 HA3 GLY A 555 1.541 15.144 3.925 1.00 0.00 H new ATOM 406 N GLY A 556 3.481 13.359 5.318 1.00 0.00 N ATOM 407 CA GLY A 556 4.053 12.835 6.547 1.00 0.00 C ATOM 408 C GLY A 556 2.960 12.520 7.569 1.00 0.00 C ATOM 409 O GLY A 556 3.201 12.563 8.775 1.00 0.00 O ATOM 0 H GLY A 556 3.305 12.659 4.597 1.00 0.00 H new ATOM 0 HA2 GLY A 556 4.625 11.932 6.331 1.00 0.00 H new ATOM 0 HA3 GLY A 556 4.750 13.561 6.966 1.00 0.00 H new ATOM 413 N SER A 557 1.780 12.210 7.051 1.00 0.00 N ATOM 414 CA SER A 557 0.649 11.888 7.904 1.00 0.00 C ATOM 415 C SER A 557 0.460 10.371 7.971 1.00 0.00 C ATOM 416 O SER A 557 0.608 9.678 6.966 1.00 0.00 O ATOM 417 CB SER A 557 -0.630 12.560 7.400 1.00 0.00 C ATOM 418 OG SER A 557 -0.363 13.515 6.376 1.00 0.00 O ATOM 0 H SER A 557 1.583 12.175 6.051 1.00 0.00 H new ATOM 0 HA SER A 557 0.856 12.267 8.905 1.00 0.00 H new ATOM 0 HB2 SER A 557 -1.313 11.801 7.019 1.00 0.00 H new ATOM 0 HB3 SER A 557 -1.133 13.052 8.232 1.00 0.00 H new ATOM 0 HG SER A 557 -1.204 13.921 6.080 1.00 0.00 H new ATOM 424 N TRP A 558 0.136 9.900 9.167 1.00 0.00 N ATOM 425 CA TRP A 558 -0.074 8.478 9.379 1.00 0.00 C ATOM 426 C TRP A 558 -1.488 8.286 9.931 1.00 0.00 C ATOM 427 O TRP A 558 -1.716 8.436 11.130 1.00 0.00 O ATOM 428 CB TRP A 558 1.007 7.893 10.289 1.00 0.00 C ATOM 429 CG TRP A 558 2.367 7.719 9.609 1.00 0.00 C ATOM 430 CD1 TRP A 558 3.429 8.533 9.667 1.00 0.00 C ATOM 431 CD2 TRP A 558 2.768 6.623 8.760 1.00 0.00 C ATOM 432 NE1 TRP A 558 4.482 8.045 8.920 1.00 0.00 N ATOM 433 CE2 TRP A 558 4.068 6.846 8.351 1.00 0.00 C ATOM 434 CE3 TRP A 558 2.058 5.481 8.350 1.00 0.00 C ATOM 435 CZ2 TRP A 558 4.769 5.971 7.513 1.00 0.00 C ATOM 436 CZ3 TRP A 558 2.773 4.616 7.513 1.00 0.00 C ATOM 437 CH2 TRP A 558 4.081 4.827 7.093 1.00 0.00 C ATOM 0 H TRP A 558 0.014 10.478 9.999 1.00 0.00 H new ATOM 0 HA TRP A 558 0.010 7.932 8.439 1.00 0.00 H new ATOM 0 HB2 TRP A 558 1.127 8.542 11.157 1.00 0.00 H new ATOM 0 HB3 TRP A 558 0.671 6.924 10.659 1.00 0.00 H new ATOM 0 HD1 TRP A 558 3.458 9.455 10.228 1.00 0.00 H new ATOM 0 HE1 TRP A 558 5.396 8.483 8.806 1.00 0.00 H new ATOM 0 HE3 TRP A 558 1.041 5.286 8.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 558 5.786 6.168 7.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 558 2.273 3.722 7.170 1.00 0.00 H new ATOM 0 HH2 TRP A 558 4.565 4.111 6.445 1.00 0.00 H new ATOM 448 N THR A 559 -2.402 7.958 9.029 1.00 0.00 N ATOM 449 CA THR A 559 -3.787 7.745 9.411 1.00 0.00 C ATOM 450 C THR A 559 -3.867 6.867 10.662 1.00 0.00 C ATOM 451 O THR A 559 -2.865 6.292 11.085 1.00 0.00 O ATOM 452 CB THR A 559 -4.524 7.154 8.207 1.00 0.00 C ATOM 453 OG1 THR A 559 -4.870 8.291 7.420 1.00 0.00 O ATOM 454 CG2 THR A 559 -5.872 6.540 8.589 1.00 0.00 C ATOM 0 H THR A 559 -2.210 7.835 8.035 1.00 0.00 H new ATOM 0 HA THR A 559 -4.272 8.684 9.679 1.00 0.00 H new ATOM 0 HB THR A 559 -3.900 6.394 7.737 1.00 0.00 H new ATOM 0 HG1 THR A 559 -5.350 7.999 6.617 1.00 0.00 H new ATOM 0 HG21 THR A 559 -6.353 6.135 7.698 1.00 0.00 H new ATOM 0 HG22 THR A 559 -5.715 5.740 9.312 1.00 0.00 H new ATOM 0 HG23 THR A 559 -6.510 7.307 9.029 1.00 0.00 H new ATOM 462 N ALA A 560 -5.067 6.792 11.218 1.00 0.00 N ATOM 463 CA ALA A 560 -5.290 5.995 12.411 1.00 0.00 C ATOM 464 C ALA A 560 -4.830 4.558 12.153 1.00 0.00 C ATOM 465 O ALA A 560 -5.461 3.829 11.390 1.00 0.00 O ATOM 466 CB ALA A 560 -6.765 6.072 12.809 1.00 0.00 C ATOM 0 H ALA A 560 -5.895 7.271 10.864 1.00 0.00 H new ATOM 0 HA ALA A 560 -4.707 6.383 13.246 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -6.932 5.474 13.705 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -7.034 7.109 13.010 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -7.382 5.688 11.996 1.00 0.00 H new ATOM 472 N ALA A 561 -3.735 4.195 12.805 1.00 0.00 N ATOM 473 CA ALA A 561 -3.184 2.859 12.655 1.00 0.00 C ATOM 474 C ALA A 561 -4.138 1.845 13.289 1.00 0.00 C ATOM 475 O ALA A 561 -4.599 2.038 14.413 1.00 0.00 O ATOM 476 CB ALA A 561 -1.786 2.811 13.276 1.00 0.00 C ATOM 0 H ALA A 561 -3.215 4.803 13.438 1.00 0.00 H new ATOM 0 HA ALA A 561 -3.082 2.602 11.601 1.00 0.00 H new ATOM 0 HB1 ALA A 561 -1.372 1.809 13.164 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -1.139 3.529 12.772 1.00 0.00 H new ATOM 0 HB3 ALA A 561 -1.850 3.061 14.335 1.00 0.00 H new ATOM 482 N PRO A 562 -4.413 0.757 12.520 1.00 0.00 N ATOM 483 CA PRO A 562 -3.825 0.605 11.200 1.00 0.00 C ATOM 484 C PRO A 562 -4.501 1.533 10.189 1.00 0.00 C ATOM 485 O PRO A 562 -5.709 1.757 10.257 1.00 0.00 O ATOM 486 CB PRO A 562 -3.995 -0.867 10.861 1.00 0.00 C ATOM 487 CG PRO A 562 -5.078 -1.387 11.792 1.00 0.00 C ATOM 488 CD PRO A 562 -5.288 -0.353 12.887 1.00 0.00 C ATOM 0 HA PRO A 562 -2.773 0.887 11.173 1.00 0.00 H new ATOM 0 HB2 PRO A 562 -4.282 -0.997 9.817 1.00 0.00 H new ATOM 0 HB3 PRO A 562 -3.062 -1.411 11.005 1.00 0.00 H new ATOM 0 HG2 PRO A 562 -6.005 -1.555 11.243 1.00 0.00 H new ATOM 0 HG3 PRO A 562 -4.784 -2.344 12.222 1.00 0.00 H new ATOM 0 HD2 PRO A 562 -6.330 -0.036 12.938 1.00 0.00 H new ATOM 0 HD3 PRO A 562 -5.029 -0.755 13.866 1.00 0.00 H new ATOM 496 N GLY A 563 -3.693 2.049 9.275 1.00 0.00 N ATOM 497 CA GLY A 563 -4.198 2.948 8.251 1.00 0.00 C ATOM 498 C GLY A 563 -5.610 2.549 7.819 1.00 0.00 C ATOM 499 O GLY A 563 -6.587 2.895 8.483 1.00 0.00 O ATOM 0 H GLY A 563 -2.692 1.862 9.222 1.00 0.00 H new ATOM 0 HA2 GLY A 563 -4.205 3.970 8.630 1.00 0.00 H new ATOM 0 HA3 GLY A 563 -3.532 2.933 7.388 1.00 0.00 H new ATOM 503 N VAL A 564 -5.674 1.827 6.710 1.00 0.00 N ATOM 504 CA VAL A 564 -6.951 1.378 6.183 1.00 0.00 C ATOM 505 C VAL A 564 -6.827 -0.078 5.729 1.00 0.00 C ATOM 506 O VAL A 564 -5.726 -0.558 5.467 1.00 0.00 O ATOM 507 CB VAL A 564 -7.415 2.315 5.065 1.00 0.00 C ATOM 508 CG1 VAL A 564 -8.932 2.243 4.883 1.00 0.00 C ATOM 509 CG2 VAL A 564 -6.962 3.752 5.332 1.00 0.00 C ATOM 0 H VAL A 564 -4.862 1.542 6.162 1.00 0.00 H new ATOM 0 HA VAL A 564 -7.717 1.413 6.958 1.00 0.00 H new ATOM 0 HB VAL A 564 -6.951 1.984 4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 564 -9.235 2.918 4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 564 -9.220 1.224 4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 564 -9.424 2.536 5.811 1.00 0.00 H new ATOM 0 HG21 VAL A 564 -7.304 4.398 4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 564 -7.385 4.097 6.276 1.00 0.00 H new ATOM 0 HG23 VAL A 564 -5.874 3.786 5.388 1.00 0.00 H new ATOM 519 N LYS A 565 -7.972 -0.740 5.650 1.00 0.00 N ATOM 520 CA LYS A 565 -8.006 -2.131 5.233 1.00 0.00 C ATOM 521 C LYS A 565 -8.141 -2.199 3.711 1.00 0.00 C ATOM 522 O LYS A 565 -9.187 -1.859 3.161 1.00 0.00 O ATOM 523 CB LYS A 565 -9.103 -2.889 5.982 1.00 0.00 C ATOM 524 CG LYS A 565 -9.343 -4.265 5.359 1.00 0.00 C ATOM 525 CD LYS A 565 -9.231 -5.371 6.410 1.00 0.00 C ATOM 526 CE LYS A 565 -10.603 -5.711 6.996 1.00 0.00 C ATOM 527 NZ LYS A 565 -11.322 -6.659 6.115 1.00 0.00 N ATOM 0 H LYS A 565 -8.884 -0.338 5.868 1.00 0.00 H new ATOM 0 HA LYS A 565 -7.072 -2.629 5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -8.821 -3.004 7.028 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -10.027 -2.311 5.963 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -10.332 -4.293 4.901 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -8.618 -4.439 4.564 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -8.793 -6.262 5.960 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -8.559 -5.053 7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -10.484 -6.146 7.988 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -11.190 -4.800 7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -12.251 -6.879 6.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -11.452 -6.230 5.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -10.768 -7.534 6.022 1.00 0.00 H new ATOM 540 N MET A 566 -7.067 -2.640 3.072 1.00 0.00 N ATOM 541 CA MET A 566 -7.052 -2.757 1.624 1.00 0.00 C ATOM 542 C MET A 566 -8.418 -3.201 1.096 1.00 0.00 C ATOM 543 O MET A 566 -9.085 -4.032 1.711 1.00 0.00 O ATOM 544 CB MET A 566 -5.988 -3.773 1.204 1.00 0.00 C ATOM 545 CG MET A 566 -4.614 -3.110 1.084 1.00 0.00 C ATOM 546 SD MET A 566 -4.128 -3.019 -0.631 1.00 0.00 S ATOM 547 CE MET A 566 -2.721 -1.928 -0.497 1.00 0.00 C ATOM 0 H MET A 566 -6.201 -2.921 3.531 1.00 0.00 H new ATOM 0 HA MET A 566 -6.820 -1.779 1.202 1.00 0.00 H new ATOM 0 HB2 MET A 566 -5.943 -4.581 1.934 1.00 0.00 H new ATOM 0 HB3 MET A 566 -6.264 -4.221 0.249 1.00 0.00 H new ATOM 0 HG2 MET A 566 -4.645 -2.109 1.515 1.00 0.00 H new ATOM 0 HG3 MET A 566 -3.876 -3.678 1.650 1.00 0.00 H new ATOM 0 HE1 MET A 566 -2.567 -1.415 -1.446 1.00 0.00 H new ATOM 0 HE2 MET A 566 -2.904 -1.193 0.287 1.00 0.00 H new ATOM 0 HE3 MET A 566 -1.832 -2.509 -0.250 1.00 0.00 H new ATOM 557 N GLN A 567 -8.794 -2.627 -0.038 1.00 0.00 N ATOM 558 CA GLN A 567 -10.068 -2.953 -0.655 1.00 0.00 C ATOM 559 C GLN A 567 -9.851 -3.837 -1.885 1.00 0.00 C ATOM 560 O GLN A 567 -8.985 -3.555 -2.711 1.00 0.00 O ATOM 561 CB GLN A 567 -10.841 -1.685 -1.021 1.00 0.00 C ATOM 562 CG GLN A 567 -11.804 -1.288 0.099 1.00 0.00 C ATOM 563 CD GLN A 567 -13.259 -1.440 -0.350 1.00 0.00 C ATOM 564 OE1 GLN A 567 -13.597 -2.271 -1.177 1.00 0.00 O ATOM 565 NE2 GLN A 567 -14.099 -0.592 0.239 1.00 0.00 N ATOM 0 H GLN A 567 -8.238 -1.938 -0.545 1.00 0.00 H new ATOM 0 HA GLN A 567 -10.667 -3.508 0.067 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -10.142 -0.870 -1.210 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -11.398 -1.848 -1.944 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -11.623 -1.909 0.976 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -11.617 -0.256 0.396 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -13.750 0.079 0.923 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -15.092 -0.613 0.006 1.00 0.00 H new ATOM 574 N ASP A 568 -10.653 -4.889 -1.968 1.00 0.00 N ATOM 575 CA ASP A 568 -10.560 -5.815 -3.083 1.00 0.00 C ATOM 576 C ASP A 568 -10.428 -5.026 -4.387 1.00 0.00 C ATOM 577 O ASP A 568 -10.937 -3.911 -4.496 1.00 0.00 O ATOM 578 CB ASP A 568 -11.814 -6.686 -3.182 1.00 0.00 C ATOM 579 CG ASP A 568 -11.556 -8.194 -3.171 1.00 0.00 C ATOM 580 OD1 ASP A 568 -10.827 -8.711 -2.312 1.00 0.00 O ATOM 581 OD2 ASP A 568 -12.148 -8.855 -4.107 1.00 0.00 O ATOM 0 H ASP A 568 -11.370 -5.120 -1.281 1.00 0.00 H new ATOM 0 HA ASP A 568 -9.691 -6.452 -2.920 1.00 0.00 H new ATOM 0 HB2 ASP A 568 -12.476 -6.440 -2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 568 -12.345 -6.430 -4.099 1.00 0.00 H new ATOM 587 N ALA A 569 -9.743 -5.635 -5.344 1.00 0.00 N ATOM 588 CA ALA A 569 -9.538 -5.002 -6.636 1.00 0.00 C ATOM 589 C ALA A 569 -10.617 -5.481 -7.609 1.00 0.00 C ATOM 590 O ALA A 569 -11.768 -5.673 -7.221 1.00 0.00 O ATOM 591 CB ALA A 569 -8.125 -5.308 -7.135 1.00 0.00 C ATOM 0 H ALA A 569 -9.323 -6.560 -5.251 1.00 0.00 H new ATOM 0 HA ALA A 569 -9.626 -3.919 -6.552 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -7.971 -4.833 -8.104 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -7.396 -4.923 -6.422 1.00 0.00 H new ATOM 0 HB3 ALA A 569 -8.000 -6.386 -7.235 1.00 0.00 H new ATOM 597 N GLU A 570 -10.206 -5.660 -8.856 1.00 0.00 N ATOM 598 CA GLU A 570 -11.123 -6.113 -9.889 1.00 0.00 C ATOM 599 C GLU A 570 -10.567 -7.357 -10.584 1.00 0.00 C ATOM 600 O GLU A 570 -11.092 -7.786 -11.611 1.00 0.00 O ATOM 601 CB GLU A 570 -11.404 -4.999 -10.899 1.00 0.00 C ATOM 602 CG GLU A 570 -10.124 -4.584 -11.627 1.00 0.00 C ATOM 603 CD GLU A 570 -10.059 -3.065 -11.799 1.00 0.00 C ATOM 604 OE1 GLU A 570 -11.080 -2.379 -11.642 1.00 0.00 O ATOM 605 OE2 GLU A 570 -8.895 -2.600 -12.105 1.00 0.00 O ATOM 0 H GLU A 570 -9.250 -5.500 -9.175 1.00 0.00 H new ATOM 0 HA GLU A 570 -12.069 -6.378 -9.417 1.00 0.00 H new ATOM 0 HB2 GLU A 570 -12.145 -5.338 -11.623 1.00 0.00 H new ATOM 0 HB3 GLU A 570 -11.831 -4.137 -10.386 1.00 0.00 H new ATOM 0 HG2 GLU A 570 -9.255 -4.928 -11.066 1.00 0.00 H new ATOM 0 HG3 GLU A 570 -10.084 -5.066 -12.604 1.00 0.00 H new ATOM 613 N ILE A 571 -9.512 -7.902 -9.997 1.00 0.00 N ATOM 614 CA ILE A 571 -8.879 -9.088 -10.548 1.00 0.00 C ATOM 615 C ILE A 571 -9.639 -10.331 -10.080 1.00 0.00 C ATOM 616 O ILE A 571 -10.494 -10.847 -10.797 1.00 0.00 O ATOM 617 CB ILE A 571 -7.389 -9.111 -10.200 1.00 0.00 C ATOM 618 CG1 ILE A 571 -6.659 -7.926 -10.836 1.00 0.00 C ATOM 619 CG2 ILE A 571 -6.756 -10.449 -10.587 1.00 0.00 C ATOM 620 CD1 ILE A 571 -6.469 -8.142 -12.339 1.00 0.00 C ATOM 0 H ILE A 571 -9.080 -7.544 -9.145 1.00 0.00 H new ATOM 0 HA ILE A 571 -8.928 -9.075 -11.637 1.00 0.00 H new ATOM 0 HB ILE A 571 -7.289 -9.008 -9.119 1.00 0.00 H new ATOM 0 HG12 ILE A 571 -7.226 -7.011 -10.665 1.00 0.00 H new ATOM 0 HG13 ILE A 571 -5.688 -7.793 -10.358 1.00 0.00 H new ATOM 0 HG21 ILE A 571 -5.697 -10.439 -10.329 1.00 0.00 H new ATOM 0 HG22 ILE A 571 -7.253 -11.256 -10.048 1.00 0.00 H new ATOM 0 HG23 ILE A 571 -6.866 -10.607 -11.660 1.00 0.00 H new ATOM 0 HD11 ILE A 571 -5.948 -7.286 -12.767 1.00 0.00 H new ATOM 0 HD12 ILE A 571 -5.881 -9.045 -12.505 1.00 0.00 H new ATOM 0 HD13 ILE A 571 -7.443 -8.250 -12.817 1.00 0.00 H new ATOM 632 N SER A 572 -9.299 -10.775 -8.878 1.00 0.00 N ATOM 633 CA SER A 572 -9.938 -11.947 -8.306 1.00 0.00 C ATOM 634 C SER A 572 -9.128 -12.454 -7.111 1.00 0.00 C ATOM 635 O SER A 572 -8.174 -13.211 -7.280 1.00 0.00 O ATOM 636 CB SER A 572 -10.094 -13.055 -9.349 1.00 0.00 C ATOM 637 OG SER A 572 -11.447 -13.205 -9.771 1.00 0.00 O ATOM 0 H SER A 572 -8.590 -10.344 -8.285 1.00 0.00 H new ATOM 0 HA SER A 572 -10.934 -11.661 -7.968 1.00 0.00 H new ATOM 0 HB2 SER A 572 -9.468 -12.831 -10.212 1.00 0.00 H new ATOM 0 HB3 SER A 572 -9.738 -13.997 -8.933 1.00 0.00 H new ATOM 0 HG SER A 572 -11.696 -12.451 -10.345 1.00 0.00 H new ATOM 643 N GLY A 573 -9.539 -12.016 -5.930 1.00 0.00 N ATOM 644 CA GLY A 573 -8.863 -12.416 -4.707 1.00 0.00 C ATOM 645 C GLY A 573 -7.720 -11.455 -4.373 1.00 0.00 C ATOM 646 O GLY A 573 -6.938 -11.709 -3.458 1.00 0.00 O ATOM 0 H GLY A 573 -10.331 -11.388 -5.794 1.00 0.00 H new ATOM 0 HA2 GLY A 573 -9.577 -12.438 -3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 573 -8.472 -13.427 -4.817 1.00 0.00 H new ATOM 650 N TYR A 574 -7.658 -10.372 -5.134 1.00 0.00 N ATOM 651 CA TYR A 574 -6.623 -9.373 -4.931 1.00 0.00 C ATOM 652 C TYR A 574 -7.201 -8.106 -4.297 1.00 0.00 C ATOM 653 O TYR A 574 -8.410 -7.881 -4.342 1.00 0.00 O ATOM 654 CB TYR A 574 -6.086 -9.033 -6.322 1.00 0.00 C ATOM 655 CG TYR A 574 -4.574 -9.218 -6.468 1.00 0.00 C ATOM 656 CD1 TYR A 574 -3.709 -8.297 -5.913 1.00 0.00 C ATOM 657 CD2 TYR A 574 -4.076 -10.307 -7.155 1.00 0.00 C ATOM 658 CE1 TYR A 574 -2.286 -8.472 -6.051 1.00 0.00 C ATOM 659 CE2 TYR A 574 -2.653 -10.481 -7.292 1.00 0.00 C ATOM 660 CZ TYR A 574 -1.829 -9.555 -6.733 1.00 0.00 C ATOM 661 OH TYR A 574 -0.485 -9.720 -6.863 1.00 0.00 O ATOM 0 H TYR A 574 -8.308 -10.165 -5.892 1.00 0.00 H new ATOM 0 HA TYR A 574 -5.848 -9.753 -4.265 1.00 0.00 H new ATOM 0 HB2 TYR A 574 -6.591 -9.659 -7.058 1.00 0.00 H new ATOM 0 HB3 TYR A 574 -6.339 -7.999 -6.555 1.00 0.00 H new ATOM 0 HD1 TYR A 574 -4.099 -7.445 -5.375 1.00 0.00 H new ATOM 0 HD2 TYR A 574 -4.753 -11.028 -7.589 1.00 0.00 H new ATOM 0 HE1 TYR A 574 -1.598 -7.759 -5.622 1.00 0.00 H new ATOM 0 HE2 TYR A 574 -2.249 -11.328 -7.827 1.00 0.00 H new ATOM 0 HH TYR A 574 -0.304 -10.537 -7.373 1.00 0.00 H new ATOM 671 N ALA A 575 -6.311 -7.312 -3.720 1.00 0.00 N ATOM 672 CA ALA A 575 -6.718 -6.074 -3.078 1.00 0.00 C ATOM 673 C ALA A 575 -6.102 -4.890 -3.826 1.00 0.00 C ATOM 674 O ALA A 575 -5.069 -5.033 -4.479 1.00 0.00 O ATOM 675 CB ALA A 575 -6.313 -6.106 -1.603 1.00 0.00 C ATOM 0 H ALA A 575 -5.310 -7.502 -3.684 1.00 0.00 H new ATOM 0 HA ALA A 575 -7.801 -5.961 -3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 575 -6.618 -5.177 -1.122 1.00 0.00 H new ATOM 0 HB2 ALA A 575 -6.800 -6.947 -1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 575 -5.231 -6.216 -1.525 1.00 0.00 H new ATOM 681 N LYS A 576 -6.761 -3.747 -3.705 1.00 0.00 N ATOM 682 CA LYS A 576 -6.291 -2.539 -4.362 1.00 0.00 C ATOM 683 C LYS A 576 -6.793 -1.316 -3.591 1.00 0.00 C ATOM 684 O LYS A 576 -7.942 -1.283 -3.153 1.00 0.00 O ATOM 685 CB LYS A 576 -6.691 -2.541 -5.839 1.00 0.00 C ATOM 686 CG LYS A 576 -8.014 -1.803 -6.050 1.00 0.00 C ATOM 687 CD LYS A 576 -8.375 -1.739 -7.535 1.00 0.00 C ATOM 688 CE LYS A 576 -8.741 -0.312 -7.950 1.00 0.00 C ATOM 689 NZ LYS A 576 -10.191 -0.209 -8.227 1.00 0.00 N ATOM 0 H LYS A 576 -7.617 -3.632 -3.162 1.00 0.00 H new ATOM 0 HA LYS A 576 -5.202 -2.499 -4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 576 -5.908 -2.068 -6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 576 -6.783 -3.568 -6.193 1.00 0.00 H new ATOM 0 HG2 LYS A 576 -8.808 -2.308 -5.500 1.00 0.00 H new ATOM 0 HG3 LYS A 576 -7.940 -0.793 -5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 576 -7.534 -2.091 -8.133 1.00 0.00 H new ATOM 0 HD3 LYS A 576 -9.212 -2.407 -7.738 1.00 0.00 H new ATOM 0 HE2 LYS A 576 -8.465 0.385 -7.159 1.00 0.00 H new ATOM 0 HE3 LYS A 576 -8.174 -0.028 -8.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 576 -10.423 0.765 -8.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 576 -10.444 -0.860 -8.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 576 -10.727 -0.460 -7.371 1.00 0.00 H new ATOM 702 N ILE A 577 -5.907 -0.341 -3.449 1.00 0.00 N ATOM 703 CA ILE A 577 -6.245 0.880 -2.739 1.00 0.00 C ATOM 704 C ILE A 577 -5.751 2.085 -3.541 1.00 0.00 C ATOM 705 O ILE A 577 -4.778 1.983 -4.286 1.00 0.00 O ATOM 706 CB ILE A 577 -5.710 0.833 -1.306 1.00 0.00 C ATOM 707 CG1 ILE A 577 -4.217 1.167 -1.268 1.00 0.00 C ATOM 708 CG2 ILE A 577 -6.012 -0.516 -0.652 1.00 0.00 C ATOM 709 CD1 ILE A 577 -3.937 2.314 -0.294 1.00 0.00 C ATOM 0 H ILE A 577 -4.955 -0.372 -3.814 1.00 0.00 H new ATOM 0 HA ILE A 577 -7.327 0.980 -2.647 1.00 0.00 H new ATOM 0 HB ILE A 577 -6.226 1.596 -0.723 1.00 0.00 H new ATOM 0 HG12 ILE A 577 -3.651 0.285 -0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 577 -3.876 1.441 -2.266 1.00 0.00 H new ATOM 0 HG21 ILE A 577 -5.621 -0.523 0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 577 -7.090 -0.675 -0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 577 -5.540 -1.313 -1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 577 -2.869 2.532 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 577 -4.486 3.201 -0.609 1.00 0.00 H new ATOM 0 HD13 ILE A 577 -4.257 2.027 0.708 1.00 0.00 H new ATOM 721 N THR A 578 -6.444 3.200 -3.361 1.00 0.00 N ATOM 722 CA THR A 578 -6.088 4.424 -4.059 1.00 0.00 C ATOM 723 C THR A 578 -5.964 5.585 -3.071 1.00 0.00 C ATOM 724 O THR A 578 -6.865 5.819 -2.267 1.00 0.00 O ATOM 725 CB THR A 578 -7.131 4.665 -5.153 1.00 0.00 C ATOM 726 OG1 THR A 578 -7.329 3.379 -5.733 1.00 0.00 O ATOM 727 CG2 THR A 578 -6.587 5.514 -6.304 1.00 0.00 C ATOM 0 H THR A 578 -7.250 3.281 -2.742 1.00 0.00 H new ATOM 0 HA THR A 578 -5.111 4.338 -4.535 1.00 0.00 H new ATOM 0 HB THR A 578 -8.003 5.156 -4.721 1.00 0.00 H new ATOM 0 HG1 THR A 578 -7.992 3.443 -6.451 1.00 0.00 H new ATOM 0 HG21 THR A 578 -7.367 5.655 -7.052 1.00 0.00 H new ATOM 0 HG22 THR A 578 -6.271 6.485 -5.922 1.00 0.00 H new ATOM 0 HG23 THR A 578 -5.735 5.008 -6.758 1.00 0.00 H new ATOM 735 N VAL A 579 -4.840 6.281 -3.163 1.00 0.00 N ATOM 736 CA VAL A 579 -4.587 7.412 -2.287 1.00 0.00 C ATOM 737 C VAL A 579 -4.214 8.632 -3.131 1.00 0.00 C ATOM 738 O VAL A 579 -3.358 8.546 -4.010 1.00 0.00 O ATOM 739 CB VAL A 579 -3.515 7.047 -1.258 1.00 0.00 C ATOM 740 CG1 VAL A 579 -3.613 7.944 -0.022 1.00 0.00 C ATOM 741 CG2 VAL A 579 -3.606 5.569 -0.872 1.00 0.00 C ATOM 0 H VAL A 579 -4.095 6.083 -3.831 1.00 0.00 H new ATOM 0 HA VAL A 579 -5.485 7.668 -1.725 1.00 0.00 H new ATOM 0 HB VAL A 579 -2.540 7.214 -1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 579 -2.840 7.663 0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 579 -3.475 8.985 -0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 579 -4.594 7.824 0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 579 -2.833 5.336 -0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 579 -4.587 5.365 -0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 579 -3.463 4.952 -1.759 1.00 0.00 H new ATOM 751 N ASP A 580 -4.876 9.741 -2.835 1.00 0.00 N ATOM 752 CA ASP A 580 -4.626 10.977 -3.556 1.00 0.00 C ATOM 753 C ASP A 580 -3.344 11.622 -3.024 1.00 0.00 C ATOM 754 O ASP A 580 -3.008 11.468 -1.851 1.00 0.00 O ATOM 755 CB ASP A 580 -5.771 11.972 -3.359 1.00 0.00 C ATOM 756 CG ASP A 580 -5.532 13.360 -3.956 1.00 0.00 C ATOM 757 OD1 ASP A 580 -5.331 13.507 -5.171 1.00 0.00 O ATOM 758 OD2 ASP A 580 -5.559 14.331 -3.106 1.00 0.00 O ATOM 0 H ASP A 580 -5.585 9.809 -2.105 1.00 0.00 H new ATOM 0 HA ASP A 580 -4.536 10.736 -4.615 1.00 0.00 H new ATOM 0 HB2 ASP A 580 -6.676 11.554 -3.801 1.00 0.00 H new ATOM 0 HB3 ASP A 580 -5.959 12.080 -2.291 1.00 0.00 H new ATOM 764 N ILE A 581 -2.662 12.329 -3.913 1.00 0.00 N ATOM 765 CA ILE A 581 -1.425 12.997 -3.548 1.00 0.00 C ATOM 766 C ILE A 581 -1.238 14.233 -4.431 1.00 0.00 C ATOM 767 O ILE A 581 -0.165 14.440 -4.996 1.00 0.00 O ATOM 768 CB ILE A 581 -0.251 12.018 -3.604 1.00 0.00 C ATOM 769 CG1 ILE A 581 0.007 11.551 -5.038 1.00 0.00 C ATOM 770 CG2 ILE A 581 -0.471 10.843 -2.649 1.00 0.00 C ATOM 771 CD1 ILE A 581 1.300 10.739 -5.126 1.00 0.00 C ATOM 0 H ILE A 581 -2.943 12.454 -4.886 1.00 0.00 H new ATOM 0 HA ILE A 581 -1.470 13.346 -2.516 1.00 0.00 H new ATOM 0 HB ILE A 581 0.645 12.541 -3.270 1.00 0.00 H new ATOM 0 HG12 ILE A 581 -0.831 10.946 -5.383 1.00 0.00 H new ATOM 0 HG13 ILE A 581 0.070 12.415 -5.700 1.00 0.00 H new ATOM 0 HG21 ILE A 581 0.378 10.162 -2.708 1.00 0.00 H new ATOM 0 HG22 ILE A 581 -0.567 11.216 -1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 581 -1.382 10.313 -2.928 1.00 0.00 H new ATOM 0 HD11 ILE A 581 1.460 10.419 -6.156 1.00 0.00 H new ATOM 0 HD12 ILE A 581 2.139 11.355 -4.803 1.00 0.00 H new ATOM 0 HD13 ILE A 581 1.224 9.863 -4.482 1.00 0.00 H new ATOM 783 N GLY A 582 -2.298 15.022 -4.522 1.00 0.00 N ATOM 784 CA GLY A 582 -2.264 16.231 -5.327 1.00 0.00 C ATOM 785 C GLY A 582 -1.044 17.086 -4.980 1.00 0.00 C ATOM 786 O GLY A 582 -0.523 17.806 -5.831 1.00 0.00 O ATOM 0 H GLY A 582 -3.186 14.848 -4.051 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -2.239 15.968 -6.384 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -3.175 16.807 -5.163 1.00 0.00 H new ATOM 790 N SER A 583 -0.623 16.980 -3.728 1.00 0.00 N ATOM 791 CA SER A 583 0.527 17.734 -3.258 1.00 0.00 C ATOM 792 C SER A 583 1.565 16.786 -2.656 1.00 0.00 C ATOM 793 O SER A 583 2.220 17.122 -1.670 1.00 0.00 O ATOM 794 CB SER A 583 0.111 18.788 -2.230 1.00 0.00 C ATOM 795 OG SER A 583 -0.029 20.080 -2.816 1.00 0.00 O ATOM 0 H SER A 583 -1.058 16.383 -3.024 1.00 0.00 H new ATOM 0 HA SER A 583 0.968 18.251 -4.110 1.00 0.00 H new ATOM 0 HB2 SER A 583 -0.833 18.494 -1.771 1.00 0.00 H new ATOM 0 HB3 SER A 583 0.853 18.830 -1.433 1.00 0.00 H new ATOM 0 HG SER A 583 -0.297 20.724 -2.128 1.00 0.00 H new ATOM 801 N ALA A 584 1.682 15.619 -3.272 1.00 0.00 N ATOM 802 CA ALA A 584 2.629 14.619 -2.809 1.00 0.00 C ATOM 803 C ALA A 584 3.066 13.751 -3.990 1.00 0.00 C ATOM 804 O ALA A 584 2.250 13.390 -4.836 1.00 0.00 O ATOM 805 CB ALA A 584 1.995 13.797 -1.685 1.00 0.00 C ATOM 0 H ALA A 584 1.136 15.343 -4.088 1.00 0.00 H new ATOM 0 HA ALA A 584 3.521 15.095 -2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 584 2.705 13.047 -1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 584 1.729 14.455 -0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 584 1.098 13.302 -2.057 1.00 0.00 H new ATOM 811 N SER A 585 4.354 13.441 -4.010 1.00 0.00 N ATOM 812 CA SER A 585 4.910 12.622 -5.074 1.00 0.00 C ATOM 813 C SER A 585 5.450 11.311 -4.498 1.00 0.00 C ATOM 814 O SER A 585 6.066 10.522 -5.212 1.00 0.00 O ATOM 815 CB SER A 585 6.017 13.367 -5.822 1.00 0.00 C ATOM 816 OG SER A 585 5.502 14.438 -6.609 1.00 0.00 O ATOM 0 H SER A 585 5.029 13.742 -3.307 1.00 0.00 H new ATOM 0 HA SER A 585 4.114 12.400 -5.785 1.00 0.00 H new ATOM 0 HB2 SER A 585 6.739 13.758 -5.105 1.00 0.00 H new ATOM 0 HB3 SER A 585 6.553 12.669 -6.466 1.00 0.00 H new ATOM 0 HG SER A 585 6.240 14.890 -7.069 1.00 0.00 H new ATOM 822 N GLN A 586 5.198 11.119 -3.211 1.00 0.00 N ATOM 823 CA GLN A 586 5.650 9.918 -2.531 1.00 0.00 C ATOM 824 C GLN A 586 4.689 9.556 -1.397 1.00 0.00 C ATOM 825 O GLN A 586 4.217 10.433 -0.675 1.00 0.00 O ATOM 826 CB GLN A 586 7.077 10.089 -2.007 1.00 0.00 C ATOM 827 CG GLN A 586 8.018 10.555 -3.120 1.00 0.00 C ATOM 828 CD GLN A 586 9.443 10.734 -2.594 1.00 0.00 C ATOM 829 OE1 GLN A 586 9.693 11.441 -1.631 1.00 0.00 O ATOM 830 NE2 GLN A 586 10.361 10.056 -3.277 1.00 0.00 N ATOM 0 H GLN A 586 4.686 11.776 -2.622 1.00 0.00 H new ATOM 0 HA GLN A 586 5.658 9.098 -3.250 1.00 0.00 H new ATOM 0 HB2 GLN A 586 7.085 10.813 -1.192 1.00 0.00 H new ATOM 0 HB3 GLN A 586 7.433 9.144 -1.597 1.00 0.00 H new ATOM 0 HG2 GLN A 586 8.015 9.828 -3.932 1.00 0.00 H new ATOM 0 HG3 GLN A 586 7.659 11.497 -3.534 1.00 0.00 H new ATOM 0 HE21 GLN A 586 10.084 9.483 -4.074 1.00 0.00 H new ATOM 0 HE22 GLN A 586 11.342 10.109 -3.004 1.00 0.00 H new ATOM 839 N LEU A 587 4.428 8.263 -1.275 1.00 0.00 N ATOM 840 CA LEU A 587 3.532 7.774 -0.241 1.00 0.00 C ATOM 841 C LEU A 587 4.077 6.460 0.321 1.00 0.00 C ATOM 842 O LEU A 587 4.374 5.535 -0.432 1.00 0.00 O ATOM 843 CB LEU A 587 2.102 7.669 -0.777 1.00 0.00 C ATOM 844 CG LEU A 587 1.001 7.519 0.275 1.00 0.00 C ATOM 845 CD1 LEU A 587 -0.263 8.273 -0.143 1.00 0.00 C ATOM 846 CD2 LEU A 587 0.718 6.044 0.567 1.00 0.00 C ATOM 0 H LEU A 587 4.822 7.539 -1.876 1.00 0.00 H new ATOM 0 HA LEU A 587 3.486 8.480 0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 587 1.891 8.559 -1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 587 2.050 6.815 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 587 1.353 7.969 1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -1.030 8.150 0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 587 -0.033 9.332 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 587 -0.628 7.875 -1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 587 -0.068 5.966 1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 587 0.396 5.547 -0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 587 1.624 5.567 0.940 1.00 0.00 H new ATOM 858 N GLU A 588 4.190 6.420 1.641 1.00 0.00 N ATOM 859 CA GLU A 588 4.694 5.234 2.312 1.00 0.00 C ATOM 860 C GLU A 588 3.543 4.285 2.649 1.00 0.00 C ATOM 861 O GLU A 588 2.432 4.728 2.937 1.00 0.00 O ATOM 862 CB GLU A 588 5.481 5.609 3.570 1.00 0.00 C ATOM 863 CG GLU A 588 6.395 4.462 4.007 1.00 0.00 C ATOM 864 CD GLU A 588 7.844 4.936 4.140 1.00 0.00 C ATOM 865 OE1 GLU A 588 8.139 5.798 4.982 1.00 0.00 O ATOM 866 OE2 GLU A 588 8.678 4.374 3.332 1.00 0.00 O ATOM 0 H GLU A 588 3.941 7.189 2.263 1.00 0.00 H new ATOM 0 HA GLU A 588 5.376 4.720 1.635 1.00 0.00 H new ATOM 0 HB2 GLU A 588 6.077 6.501 3.378 1.00 0.00 H new ATOM 0 HB3 GLU A 588 4.790 5.855 4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 588 6.051 4.061 4.960 1.00 0.00 H new ATOM 0 HG3 GLU A 588 6.339 3.651 3.281 1.00 0.00 H new ATOM 874 N ALA A 589 3.847 2.996 2.601 1.00 0.00 N ATOM 875 CA ALA A 589 2.851 1.980 2.897 1.00 0.00 C ATOM 876 C ALA A 589 3.492 0.872 3.735 1.00 0.00 C ATOM 877 O ALA A 589 4.673 0.571 3.572 1.00 0.00 O ATOM 878 CB ALA A 589 2.255 1.453 1.591 1.00 0.00 C ATOM 0 H ALA A 589 4.769 2.632 2.361 1.00 0.00 H new ATOM 0 HA ALA A 589 2.033 2.403 3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 589 1.508 0.691 1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 589 1.786 2.273 1.048 1.00 0.00 H new ATOM 0 HB3 ALA A 589 3.046 1.018 0.979 1.00 0.00 H new ATOM 884 N ALA A 590 2.685 0.297 4.614 1.00 0.00 N ATOM 885 CA ALA A 590 3.159 -0.771 5.478 1.00 0.00 C ATOM 886 C ALA A 590 2.094 -1.867 5.558 1.00 0.00 C ATOM 887 O ALA A 590 0.907 -1.598 5.378 1.00 0.00 O ATOM 888 CB ALA A 590 3.510 -0.199 6.852 1.00 0.00 C ATOM 0 H ALA A 590 1.706 0.550 4.747 1.00 0.00 H new ATOM 0 HA ALA A 590 4.065 -1.220 5.071 1.00 0.00 H new ATOM 0 HB1 ALA A 590 3.865 -1.000 7.500 1.00 0.00 H new ATOM 0 HB2 ALA A 590 4.291 0.554 6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 590 2.624 0.258 7.293 1.00 0.00 H new ATOM 894 N PHE A 591 2.556 -3.079 5.828 1.00 0.00 N ATOM 895 CA PHE A 591 1.658 -4.216 5.935 1.00 0.00 C ATOM 896 C PHE A 591 1.667 -4.791 7.352 1.00 0.00 C ATOM 897 O PHE A 591 2.728 -5.094 7.897 1.00 0.00 O ATOM 898 CB PHE A 591 2.168 -5.281 4.962 1.00 0.00 C ATOM 899 CG PHE A 591 2.744 -4.713 3.663 1.00 0.00 C ATOM 900 CD1 PHE A 591 2.087 -3.720 3.005 1.00 0.00 C ATOM 901 CD2 PHE A 591 3.911 -5.202 3.165 1.00 0.00 C ATOM 902 CE1 PHE A 591 2.621 -3.193 1.800 1.00 0.00 C ATOM 903 CE2 PHE A 591 4.445 -4.675 1.960 1.00 0.00 C ATOM 904 CZ PHE A 591 3.789 -3.681 1.302 1.00 0.00 C ATOM 0 H PHE A 591 3.541 -3.298 5.976 1.00 0.00 H new ATOM 0 HA PHE A 591 0.638 -3.908 5.704 1.00 0.00 H new ATOM 0 HB2 PHE A 591 2.936 -5.874 5.459 1.00 0.00 H new ATOM 0 HB3 PHE A 591 1.349 -5.958 4.719 1.00 0.00 H new ATOM 0 HD1 PHE A 591 1.159 -3.333 3.399 1.00 0.00 H new ATOM 0 HD2 PHE A 591 4.432 -5.992 3.686 1.00 0.00 H new ATOM 0 HE1 PHE A 591 2.100 -2.404 1.278 1.00 0.00 H new ATOM 0 HE2 PHE A 591 5.372 -5.063 1.565 1.00 0.00 H new ATOM 0 HZ PHE A 591 4.195 -3.280 0.385 1.00 0.00 H new ATOM 914 N ASN A 592 0.472 -4.925 7.910 1.00 0.00 N ATOM 915 CA ASN A 592 0.329 -5.458 9.254 1.00 0.00 C ATOM 916 C ASN A 592 -1.003 -6.203 9.363 1.00 0.00 C ATOM 917 O ASN A 592 -2.029 -5.721 8.886 1.00 0.00 O ATOM 918 CB ASN A 592 0.331 -4.337 10.294 1.00 0.00 C ATOM 919 CG ASN A 592 -0.933 -3.482 10.181 1.00 0.00 C ATOM 920 OD1 ASN A 592 -1.833 -3.546 11.002 1.00 0.00 O ATOM 921 ND2 ASN A 592 -0.951 -2.680 9.120 1.00 0.00 N ATOM 0 H ASN A 592 -0.406 -4.674 7.455 1.00 0.00 H new ATOM 0 HA ASN A 592 1.169 -6.126 9.443 1.00 0.00 H new ATOM 0 HB2 ASN A 592 0.397 -4.764 11.295 1.00 0.00 H new ATOM 0 HB3 ASN A 592 1.212 -3.710 10.156 1.00 0.00 H new ATOM 0 HD21 ASN A 592 -1.752 -2.070 8.956 1.00 0.00 H new ATOM 0 HD22 ASN A 592 -0.164 -2.675 8.471 1.00 0.00 H new ATOM 928 N ASP A 593 -0.944 -7.366 9.994 1.00 0.00 N ATOM 929 CA ASP A 593 -2.133 -8.182 10.172 1.00 0.00 C ATOM 930 C ASP A 593 -3.201 -7.367 10.903 1.00 0.00 C ATOM 931 O ASP A 593 -4.328 -7.246 10.427 1.00 0.00 O ATOM 932 CB ASP A 593 -1.828 -9.424 11.013 1.00 0.00 C ATOM 933 CG ASP A 593 -1.134 -9.146 12.348 1.00 0.00 C ATOM 934 OD1 ASP A 593 -0.534 -8.080 12.547 1.00 0.00 O ATOM 935 OD2 ASP A 593 -1.229 -10.093 13.219 1.00 0.00 O ATOM 0 H ASP A 593 -0.091 -7.763 10.389 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.481 -8.490 9.186 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -2.762 -9.950 11.209 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -1.201 -10.096 10.427 1.00 0.00 H new ATOM 941 N GLY A 594 -2.808 -6.829 12.049 1.00 0.00 N ATOM 942 CA GLY A 594 -3.718 -6.029 12.850 1.00 0.00 C ATOM 943 C GLY A 594 -3.043 -5.556 14.140 1.00 0.00 C ATOM 944 O GLY A 594 -3.672 -5.516 15.196 1.00 0.00 O ATOM 0 H GLY A 594 -1.872 -6.932 12.441 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -4.053 -5.167 12.274 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -4.605 -6.614 13.093 1.00 0.00 H new ATOM 948 N ASN A 595 -1.770 -5.211 14.011 1.00 0.00 N ATOM 949 CA ASN A 595 -1.003 -4.743 15.152 1.00 0.00 C ATOM 950 C ASN A 595 -0.495 -5.947 15.948 1.00 0.00 C ATOM 951 O ASN A 595 -1.142 -6.386 16.897 1.00 0.00 O ATOM 952 CB ASN A 595 -1.866 -3.890 16.084 1.00 0.00 C ATOM 953 CG ASN A 595 -1.005 -2.912 16.886 1.00 0.00 C ATOM 954 OD1 ASN A 595 0.065 -3.240 17.372 1.00 0.00 O ATOM 955 ND2 ASN A 595 -1.531 -1.695 16.997 1.00 0.00 N ATOM 0 H ASN A 595 -1.251 -5.246 13.134 1.00 0.00 H new ATOM 0 HA ASN A 595 -0.175 -4.142 14.777 1.00 0.00 H new ATOM 0 HB2 ASN A 595 -2.602 -3.338 15.500 1.00 0.00 H new ATOM 0 HB3 ASN A 595 -2.420 -4.536 16.765 1.00 0.00 H new ATOM 0 HD21 ASN A 595 -1.034 -0.970 17.514 1.00 0.00 H new ATOM 0 HD22 ASN A 595 -2.432 -1.487 16.565 1.00 0.00 H new ATOM 962 N ASN A 596 0.660 -6.446 15.532 1.00 0.00 N ATOM 963 CA ASN A 596 1.262 -7.591 16.194 1.00 0.00 C ATOM 964 C ASN A 596 2.225 -8.285 15.228 1.00 0.00 C ATOM 965 O ASN A 596 3.172 -8.943 15.656 1.00 0.00 O ATOM 966 CB ASN A 596 0.198 -8.607 16.613 1.00 0.00 C ATOM 967 CG ASN A 596 -0.113 -8.491 18.107 1.00 0.00 C ATOM 968 OD1 ASN A 596 0.131 -7.478 18.741 1.00 0.00 O ATOM 969 ND2 ASN A 596 -0.663 -9.583 18.631 1.00 0.00 N ATOM 0 H ASN A 596 1.195 -6.078 14.745 1.00 0.00 H new ATOM 0 HA ASN A 596 1.786 -7.232 17.080 1.00 0.00 H new ATOM 0 HB2 ASN A 596 -0.712 -8.445 16.035 1.00 0.00 H new ATOM 0 HB3 ASN A 596 0.544 -9.616 16.387 1.00 0.00 H new ATOM 0 HD21 ASN A 596 -0.907 -9.606 19.621 1.00 0.00 H new ATOM 0 HD22 ASN A 596 -0.840 -10.397 18.043 1.00 0.00 H new ATOM 976 N ASN A 597 1.949 -8.115 13.943 1.00 0.00 N ATOM 977 CA ASN A 597 2.778 -8.717 12.914 1.00 0.00 C ATOM 978 C ASN A 597 2.948 -7.727 11.759 1.00 0.00 C ATOM 979 O ASN A 597 2.186 -7.758 10.793 1.00 0.00 O ATOM 980 CB ASN A 597 2.131 -9.986 12.357 1.00 0.00 C ATOM 981 CG ASN A 597 2.870 -11.236 12.841 1.00 0.00 C ATOM 982 OD1 ASN A 597 3.581 -11.223 13.832 1.00 0.00 O ATOM 983 ND2 ASN A 597 2.662 -12.312 12.088 1.00 0.00 N ATOM 0 H ASN A 597 1.163 -7.569 13.592 1.00 0.00 H new ATOM 0 HA ASN A 597 3.740 -8.969 13.361 1.00 0.00 H new ATOM 0 HB2 ASN A 597 1.087 -10.033 12.668 1.00 0.00 H new ATOM 0 HB3 ASN A 597 2.138 -9.954 11.267 1.00 0.00 H new ATOM 0 HD21 ASN A 597 3.110 -13.196 12.327 1.00 0.00 H new ATOM 0 HD22 ASN A 597 2.054 -12.253 11.271 1.00 0.00 H new ATOM 990 N TRP A 598 3.951 -6.873 11.896 1.00 0.00 N ATOM 991 CA TRP A 598 4.231 -5.877 10.876 1.00 0.00 C ATOM 992 C TRP A 598 5.338 -6.423 9.972 1.00 0.00 C ATOM 993 O TRP A 598 6.414 -6.781 10.449 1.00 0.00 O ATOM 994 CB TRP A 598 4.585 -4.530 11.508 1.00 0.00 C ATOM 995 CG TRP A 598 3.507 -3.978 12.444 1.00 0.00 C ATOM 996 CD1 TRP A 598 3.163 -4.424 13.659 1.00 0.00 C ATOM 997 CD2 TRP A 598 2.642 -2.852 12.188 1.00 0.00 C ATOM 998 NE1 TRP A 598 2.143 -3.671 14.204 1.00 0.00 N ATOM 999 CE2 TRP A 598 1.816 -2.685 13.281 1.00 0.00 C ATOM 1000 CE3 TRP A 598 2.559 -2.003 11.071 1.00 0.00 C ATOM 1001 CZ2 TRP A 598 0.848 -1.676 13.364 1.00 0.00 C ATOM 1002 CZ3 TRP A 598 1.587 -1.000 11.168 1.00 0.00 C ATOM 1003 CH2 TRP A 598 0.748 -0.819 12.262 1.00 0.00 C ATOM 0 H TRP A 598 4.580 -6.850 12.698 1.00 0.00 H new ATOM 0 HA TRP A 598 3.346 -5.689 10.267 1.00 0.00 H new ATOM 0 HB2 TRP A 598 5.516 -4.635 12.065 1.00 0.00 H new ATOM 0 HB3 TRP A 598 4.768 -3.805 10.715 1.00 0.00 H new ATOM 0 HD1 TRP A 598 3.626 -5.267 14.151 1.00 0.00 H new ATOM 0 HE1 TRP A 598 1.709 -3.812 15.116 1.00 0.00 H new ATOM 0 HE3 TRP A 598 3.195 -2.116 10.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 0.214 -1.565 14.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 1.482 -0.320 10.336 1.00 0.00 H new ATOM 0 HH2 TRP A 598 0.022 -0.020 12.261 1.00 0.00 H new ATOM 1014 N ASP A 599 5.036 -6.470 8.683 1.00 0.00 N ATOM 1015 CA ASP A 599 5.992 -6.967 7.708 1.00 0.00 C ATOM 1016 C ASP A 599 6.761 -5.788 7.108 1.00 0.00 C ATOM 1017 O ASP A 599 7.825 -5.971 6.519 1.00 0.00 O ATOM 1018 CB ASP A 599 5.285 -7.700 6.567 1.00 0.00 C ATOM 1019 CG ASP A 599 5.456 -9.221 6.571 1.00 0.00 C ATOM 1020 OD1 ASP A 599 6.583 -9.737 6.617 1.00 0.00 O ATOM 1021 OD2 ASP A 599 4.356 -9.893 6.524 1.00 0.00 O ATOM 0 H ASP A 599 4.143 -6.172 8.291 1.00 0.00 H new ATOM 0 HA ASP A 599 6.665 -7.657 8.217 1.00 0.00 H new ATOM 0 HB2 ASP A 599 4.221 -7.469 6.611 1.00 0.00 H new ATOM 0 HB3 ASP A 599 5.657 -7.310 5.619 1.00 0.00 H new ATOM 1027 N SER A 600 6.191 -4.604 7.277 1.00 0.00 N ATOM 1028 CA SER A 600 6.809 -3.395 6.759 1.00 0.00 C ATOM 1029 C SER A 600 8.316 -3.422 7.025 1.00 0.00 C ATOM 1030 O SER A 600 9.111 -3.549 6.095 1.00 0.00 O ATOM 1031 CB SER A 600 6.183 -2.146 7.382 1.00 0.00 C ATOM 1032 OG SER A 600 6.972 -0.982 7.152 1.00 0.00 O ATOM 0 H SER A 600 5.308 -4.456 7.765 1.00 0.00 H new ATOM 0 HA SER A 600 6.637 -3.357 5.683 1.00 0.00 H new ATOM 0 HB2 SER A 600 5.186 -1.996 6.968 1.00 0.00 H new ATOM 0 HB3 SER A 600 6.064 -2.297 8.455 1.00 0.00 H new ATOM 0 HG SER A 600 7.111 -0.509 7.999 1.00 0.00 H new ATOM 1038 N ASN A 601 8.662 -3.302 8.298 1.00 0.00 N ATOM 1039 CA ASN A 601 10.059 -3.311 8.698 1.00 0.00 C ATOM 1040 C ASN A 601 10.201 -2.618 10.054 1.00 0.00 C ATOM 1041 O ASN A 601 11.131 -2.904 10.807 1.00 0.00 O ATOM 1042 CB ASN A 601 10.926 -2.557 7.688 1.00 0.00 C ATOM 1043 CG ASN A 601 11.631 -3.527 6.738 1.00 0.00 C ATOM 1044 OD1 ASN A 601 11.602 -3.383 5.527 1.00 0.00 O ATOM 1045 ND2 ASN A 601 12.266 -4.521 7.354 1.00 0.00 N ATOM 0 H ASN A 601 7.999 -3.198 9.066 1.00 0.00 H new ATOM 0 HA ASN A 601 10.388 -4.349 8.751 1.00 0.00 H new ATOM 0 HB2 ASN A 601 10.306 -1.867 7.115 1.00 0.00 H new ATOM 0 HB3 ASN A 601 11.667 -1.957 8.216 1.00 0.00 H new ATOM 0 HD21 ASN A 601 12.768 -5.221 6.808 1.00 0.00 H new ATOM 0 HD22 ASN A 601 12.250 -4.583 8.372 1.00 0.00 H new ATOM 1052 N ASN A 602 9.266 -1.720 10.325 1.00 0.00 N ATOM 1053 CA ASN A 602 9.275 -0.983 11.578 1.00 0.00 C ATOM 1054 C ASN A 602 10.222 0.212 11.454 1.00 0.00 C ATOM 1055 O ASN A 602 10.294 1.047 12.355 1.00 0.00 O ATOM 1056 CB ASN A 602 9.770 -1.861 12.729 1.00 0.00 C ATOM 1057 CG ASN A 602 9.019 -1.543 14.023 1.00 0.00 C ATOM 1058 OD1 ASN A 602 7.801 -1.574 14.089 1.00 0.00 O ATOM 1059 ND2 ASN A 602 9.811 -1.236 15.047 1.00 0.00 N ATOM 0 H ASN A 602 8.496 -1.485 9.698 1.00 0.00 H new ATOM 0 HA ASN A 602 8.256 -0.657 11.786 1.00 0.00 H new ATOM 0 HB2 ASN A 602 9.634 -2.912 12.474 1.00 0.00 H new ATOM 0 HB3 ASN A 602 10.839 -1.705 12.877 1.00 0.00 H new ATOM 0 HD21 ASN A 602 9.406 -1.008 15.955 1.00 0.00 H new ATOM 0 HD22 ASN A 602 10.824 -1.229 14.924 1.00 0.00 H new ATOM 1066 N THR A 603 10.925 0.256 10.332 1.00 0.00 N ATOM 1067 CA THR A 603 11.864 1.336 10.079 1.00 0.00 C ATOM 1068 C THR A 603 12.472 1.197 8.682 1.00 0.00 C ATOM 1069 O THR A 603 13.639 1.524 8.474 1.00 0.00 O ATOM 1070 CB THR A 603 12.907 1.327 11.199 1.00 0.00 C ATOM 1071 OG1 THR A 603 13.339 2.682 11.281 1.00 0.00 O ATOM 1072 CG2 THR A 603 14.172 0.556 10.815 1.00 0.00 C ATOM 0 H THR A 603 10.863 -0.439 9.588 1.00 0.00 H new ATOM 0 HA THR A 603 11.365 2.305 10.087 1.00 0.00 H new ATOM 0 HB THR A 603 12.472 0.887 12.097 1.00 0.00 H new ATOM 0 HG1 THR A 603 14.016 2.768 11.984 1.00 0.00 H new ATOM 0 HG21 THR A 603 14.879 0.581 11.644 1.00 0.00 H new ATOM 0 HG22 THR A 603 13.913 -0.478 10.589 1.00 0.00 H new ATOM 0 HG23 THR A 603 14.626 1.016 9.937 1.00 0.00 H new ATOM 1080 N LYS A 604 11.652 0.713 7.760 1.00 0.00 N ATOM 1081 CA LYS A 604 12.094 0.528 6.389 1.00 0.00 C ATOM 1082 C LYS A 604 10.893 0.163 5.515 1.00 0.00 C ATOM 1083 O LYS A 604 10.964 -0.766 4.711 1.00 0.00 O ATOM 1084 CB LYS A 604 13.233 -0.492 6.326 1.00 0.00 C ATOM 1085 CG LYS A 604 14.162 -0.205 5.145 1.00 0.00 C ATOM 1086 CD LYS A 604 15.030 1.026 5.417 1.00 0.00 C ATOM 1087 CE LYS A 604 16.402 0.886 4.755 1.00 0.00 C ATOM 1088 NZ LYS A 604 16.803 2.161 4.119 1.00 0.00 N ATOM 0 H LYS A 604 10.684 0.444 7.936 1.00 0.00 H new ATOM 0 HA LYS A 604 12.506 1.456 5.993 1.00 0.00 H new ATOM 0 HB2 LYS A 604 13.802 -0.465 7.255 1.00 0.00 H new ATOM 0 HB3 LYS A 604 12.821 -1.497 6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 604 14.799 -1.070 4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 604 13.571 -0.046 4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 604 14.530 1.918 5.041 1.00 0.00 H new ATOM 0 HD3 LYS A 604 15.153 1.159 6.492 1.00 0.00 H new ATOM 0 HE2 LYS A 604 17.143 0.595 5.499 1.00 0.00 H new ATOM 0 HE3 LYS A 604 16.372 0.093 4.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 17.736 2.049 3.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 16.104 2.423 3.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 16.851 2.909 4.840 1.00 0.00 H new ATOM 1101 N ASN A 605 9.816 0.912 5.702 1.00 0.00 N ATOM 1102 CA ASN A 605 8.601 0.679 4.941 1.00 0.00 C ATOM 1103 C ASN A 605 8.905 0.816 3.447 1.00 0.00 C ATOM 1104 O ASN A 605 10.049 0.657 3.026 1.00 0.00 O ATOM 1105 CB ASN A 605 7.521 1.702 5.299 1.00 0.00 C ATOM 1106 CG ASN A 605 7.461 1.928 6.811 1.00 0.00 C ATOM 1107 OD1 ASN A 605 8.468 1.997 7.496 1.00 0.00 O ATOM 1108 ND2 ASN A 605 6.226 2.039 7.293 1.00 0.00 N ATOM 0 H ASN A 605 9.760 1.681 6.370 1.00 0.00 H new ATOM 0 HA ASN A 605 8.242 -0.322 5.179 1.00 0.00 H new ATOM 0 HB2 ASN A 605 7.727 2.646 4.794 1.00 0.00 H new ATOM 0 HB3 ASN A 605 6.552 1.354 4.941 1.00 0.00 H new ATOM 0 HD21 ASN A 605 6.080 2.191 8.291 1.00 0.00 H new ATOM 0 HD22 ASN A 605 5.425 1.972 6.665 1.00 0.00 H new ATOM 1115 N TYR A 606 7.860 1.111 2.688 1.00 0.00 N ATOM 1116 CA TYR A 606 8.001 1.271 1.251 1.00 0.00 C ATOM 1117 C TYR A 606 7.359 2.578 0.779 1.00 0.00 C ATOM 1118 O TYR A 606 6.215 2.871 1.123 1.00 0.00 O ATOM 1119 CB TYR A 606 7.255 0.094 0.620 1.00 0.00 C ATOM 1120 CG TYR A 606 7.577 -1.260 1.256 1.00 0.00 C ATOM 1121 CD1 TYR A 606 8.779 -1.882 0.984 1.00 0.00 C ATOM 1122 CD2 TYR A 606 6.666 -1.859 2.102 1.00 0.00 C ATOM 1123 CE1 TYR A 606 9.082 -3.156 1.583 1.00 0.00 C ATOM 1124 CE2 TYR A 606 6.969 -3.133 2.701 1.00 0.00 C ATOM 1125 CZ TYR A 606 8.162 -3.718 2.412 1.00 0.00 C ATOM 1126 OH TYR A 606 8.448 -4.922 2.978 1.00 0.00 O ATOM 0 H TYR A 606 6.912 1.243 3.041 1.00 0.00 H new ATOM 0 HA TYR A 606 9.054 1.298 0.970 1.00 0.00 H new ATOM 0 HB2 TYR A 606 6.183 0.274 0.696 1.00 0.00 H new ATOM 0 HB3 TYR A 606 7.496 0.052 -0.442 1.00 0.00 H new ATOM 0 HD1 TYR A 606 9.492 -1.413 0.322 1.00 0.00 H new ATOM 0 HD2 TYR A 606 5.726 -1.372 2.315 1.00 0.00 H new ATOM 0 HE1 TYR A 606 10.018 -3.654 1.379 1.00 0.00 H new ATOM 0 HE2 TYR A 606 6.265 -3.613 3.365 1.00 0.00 H new ATOM 0 HH TYR A 606 9.193 -5.340 2.498 1.00 0.00 H new ATOM 1136 N LEU A 607 8.123 3.328 -0.001 1.00 0.00 N ATOM 1137 CA LEU A 607 7.643 4.596 -0.523 1.00 0.00 C ATOM 1138 C LEU A 607 7.514 4.500 -2.045 1.00 0.00 C ATOM 1139 O LEU A 607 8.425 4.022 -2.719 1.00 0.00 O ATOM 1140 CB LEU A 607 8.540 5.743 -0.053 1.00 0.00 C ATOM 1141 CG LEU A 607 8.276 7.107 -0.694 1.00 0.00 C ATOM 1142 CD1 LEU A 607 8.668 8.242 0.253 1.00 0.00 C ATOM 1143 CD2 LEU A 607 8.979 7.221 -2.048 1.00 0.00 C ATOM 0 H LEU A 607 9.071 3.082 -0.284 1.00 0.00 H new ATOM 0 HA LEU A 607 6.650 4.818 -0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 607 8.431 5.844 1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 607 9.577 5.468 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 607 7.206 7.197 -0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 607 8.470 9.201 -0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 607 8.084 8.168 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 607 9.729 8.167 0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 607 8.775 8.200 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 607 10.054 7.101 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 607 8.609 6.443 -2.716 1.00 0.00 H new ATOM 1155 N PHE A 608 6.376 4.962 -2.540 1.00 0.00 N ATOM 1156 CA PHE A 608 6.116 4.935 -3.969 1.00 0.00 C ATOM 1157 C PHE A 608 5.316 6.164 -4.405 1.00 0.00 C ATOM 1158 O PHE A 608 4.664 6.808 -3.585 1.00 0.00 O ATOM 1159 CB PHE A 608 5.289 3.678 -4.250 1.00 0.00 C ATOM 1160 CG PHE A 608 6.117 2.394 -4.333 1.00 0.00 C ATOM 1161 CD1 PHE A 608 6.657 1.859 -3.206 1.00 0.00 C ATOM 1162 CD2 PHE A 608 6.313 1.789 -5.535 1.00 0.00 C ATOM 1163 CE1 PHE A 608 7.426 0.667 -3.284 1.00 0.00 C ATOM 1164 CE2 PHE A 608 7.082 0.597 -5.613 1.00 0.00 C ATOM 1165 CZ PHE A 608 7.622 0.062 -4.485 1.00 0.00 C ATOM 0 H PHE A 608 5.623 5.357 -1.977 1.00 0.00 H new ATOM 0 HA PHE A 608 7.058 4.934 -4.518 1.00 0.00 H new ATOM 0 HB2 PHE A 608 4.540 3.565 -3.466 1.00 0.00 H new ATOM 0 HB3 PHE A 608 4.750 3.812 -5.188 1.00 0.00 H new ATOM 0 HD1 PHE A 608 6.501 2.340 -2.252 1.00 0.00 H new ATOM 0 HD2 PHE A 608 5.884 2.215 -6.430 1.00 0.00 H new ATOM 0 HE1 PHE A 608 7.855 0.242 -2.389 1.00 0.00 H new ATOM 0 HE2 PHE A 608 7.238 0.116 -6.567 1.00 0.00 H new ATOM 0 HZ PHE A 608 8.207 -0.844 -4.544 1.00 0.00 H new ATOM 1175 N SER A 609 5.394 6.454 -5.696 1.00 0.00 N ATOM 1176 CA SER A 609 4.685 7.595 -6.251 1.00 0.00 C ATOM 1177 C SER A 609 3.545 7.116 -7.151 1.00 0.00 C ATOM 1178 O SER A 609 3.407 5.919 -7.400 1.00 0.00 O ATOM 1179 CB SER A 609 5.634 8.504 -7.034 1.00 0.00 C ATOM 1180 OG SER A 609 5.009 9.727 -7.415 1.00 0.00 O ATOM 0 H SER A 609 5.937 5.919 -6.373 1.00 0.00 H new ATOM 0 HA SER A 609 4.269 8.173 -5.426 1.00 0.00 H new ATOM 0 HB2 SER A 609 6.513 8.720 -6.426 1.00 0.00 H new ATOM 0 HB3 SER A 609 5.983 7.982 -7.925 1.00 0.00 H new ATOM 0 HG SER A 609 5.341 10.454 -6.848 1.00 0.00 H new ATOM 1186 N THR A 610 2.757 8.074 -7.615 1.00 0.00 N ATOM 1187 CA THR A 610 1.633 7.765 -8.482 1.00 0.00 C ATOM 1188 C THR A 610 1.996 6.629 -9.441 1.00 0.00 C ATOM 1189 O THR A 610 3.172 6.397 -9.717 1.00 0.00 O ATOM 1190 CB THR A 610 1.219 9.053 -9.196 1.00 0.00 C ATOM 1191 OG1 THR A 610 2.439 9.566 -9.724 1.00 0.00 O ATOM 1192 CG2 THR A 610 0.749 10.137 -8.224 1.00 0.00 C ATOM 0 H THR A 610 2.875 9.066 -7.407 1.00 0.00 H new ATOM 0 HA THR A 610 0.779 7.405 -7.909 1.00 0.00 H new ATOM 0 HB THR A 610 0.423 8.833 -9.907 1.00 0.00 H new ATOM 0 HG1 THR A 610 2.262 10.401 -10.205 1.00 0.00 H new ATOM 0 HG21 THR A 610 0.467 11.029 -8.783 1.00 0.00 H new ATOM 0 HG22 THR A 610 -0.112 9.774 -7.662 1.00 0.00 H new ATOM 0 HG23 THR A 610 1.556 10.381 -7.533 1.00 0.00 H new ATOM 1200 N GLY A 611 0.964 5.951 -9.921 1.00 0.00 N ATOM 1201 CA GLY A 611 1.159 4.844 -10.842 1.00 0.00 C ATOM 1202 C GLY A 611 0.552 3.555 -10.287 1.00 0.00 C ATOM 1203 O GLY A 611 -0.267 3.594 -9.369 1.00 0.00 O ATOM 0 H GLY A 611 -0.010 6.147 -9.690 1.00 0.00 H new ATOM 0 HA2 GLY A 611 0.702 5.081 -11.803 1.00 0.00 H new ATOM 0 HA3 GLY A 611 2.224 4.700 -11.023 1.00 0.00 H new ATOM 1207 N THR A 612 0.976 2.441 -10.866 1.00 0.00 N ATOM 1208 CA THR A 612 0.484 1.142 -10.440 1.00 0.00 C ATOM 1209 C THR A 612 1.597 0.351 -9.749 1.00 0.00 C ATOM 1210 O THR A 612 2.674 0.166 -10.313 1.00 0.00 O ATOM 1211 CB THR A 612 -0.096 0.431 -11.665 1.00 0.00 C ATOM 1212 OG1 THR A 612 -0.727 1.474 -12.404 1.00 0.00 O ATOM 1213 CG2 THR A 612 -1.242 -0.516 -11.304 1.00 0.00 C ATOM 0 H THR A 612 1.655 2.411 -11.627 1.00 0.00 H new ATOM 0 HA THR A 612 -0.309 1.243 -9.699 1.00 0.00 H new ATOM 0 HB THR A 612 0.693 -0.129 -12.168 1.00 0.00 H new ATOM 0 HG1 THR A 612 -1.129 1.102 -13.217 1.00 0.00 H new ATOM 0 HG21 THR A 612 -1.617 -0.994 -12.209 1.00 0.00 H new ATOM 0 HG22 THR A 612 -0.880 -1.278 -10.614 1.00 0.00 H new ATOM 0 HG23 THR A 612 -2.046 0.049 -10.832 1.00 0.00 H new ATOM 1221 N SER A 613 1.297 -0.095 -8.538 1.00 0.00 N ATOM 1222 CA SER A 613 2.259 -0.862 -7.764 1.00 0.00 C ATOM 1223 C SER A 613 1.580 -2.093 -7.158 1.00 0.00 C ATOM 1224 O SER A 613 0.364 -2.108 -6.975 1.00 0.00 O ATOM 1225 CB SER A 613 2.888 -0.007 -6.663 1.00 0.00 C ATOM 1226 OG SER A 613 4.311 -0.080 -6.677 1.00 0.00 O ATOM 0 H SER A 613 0.402 0.060 -8.074 1.00 0.00 H new ATOM 0 HA SER A 613 3.056 -1.186 -8.433 1.00 0.00 H new ATOM 0 HB2 SER A 613 2.577 1.030 -6.787 1.00 0.00 H new ATOM 0 HB3 SER A 613 2.518 -0.336 -5.692 1.00 0.00 H new ATOM 0 HG SER A 613 4.681 0.630 -6.111 1.00 0.00 H new ATOM 1232 N THR A 614 2.396 -3.094 -6.863 1.00 0.00 N ATOM 1233 CA THR A 614 1.890 -4.325 -6.282 1.00 0.00 C ATOM 1234 C THR A 614 2.778 -4.770 -5.118 1.00 0.00 C ATOM 1235 O THR A 614 3.962 -5.046 -5.306 1.00 0.00 O ATOM 1236 CB THR A 614 1.785 -5.367 -7.397 1.00 0.00 C ATOM 1237 OG1 THR A 614 1.209 -4.651 -8.487 1.00 0.00 O ATOM 1238 CG2 THR A 614 0.759 -6.458 -7.085 1.00 0.00 C ATOM 0 H THR A 614 3.404 -3.077 -7.016 1.00 0.00 H new ATOM 0 HA THR A 614 0.897 -4.181 -5.857 1.00 0.00 H new ATOM 0 HB THR A 614 2.761 -5.823 -7.560 1.00 0.00 H new ATOM 0 HG1 THR A 614 1.253 -5.199 -9.298 1.00 0.00 H new ATOM 0 HG21 THR A 614 0.724 -7.171 -7.909 1.00 0.00 H new ATOM 0 HG22 THR A 614 1.045 -6.975 -6.169 1.00 0.00 H new ATOM 0 HG23 THR A 614 -0.224 -6.006 -6.955 1.00 0.00 H new ATOM 1246 N TYR A 615 2.173 -4.825 -3.941 1.00 0.00 N ATOM 1247 CA TYR A 615 2.894 -5.231 -2.746 1.00 0.00 C ATOM 1248 C TYR A 615 2.680 -6.718 -2.456 1.00 0.00 C ATOM 1249 O TYR A 615 1.550 -7.158 -2.253 1.00 0.00 O ATOM 1250 CB TYR A 615 2.304 -4.410 -1.598 1.00 0.00 C ATOM 1251 CG TYR A 615 2.023 -5.222 -0.332 1.00 0.00 C ATOM 1252 CD1 TYR A 615 2.988 -6.068 0.173 1.00 0.00 C ATOM 1253 CD2 TYR A 615 0.803 -5.108 0.303 1.00 0.00 C ATOM 1254 CE1 TYR A 615 2.723 -6.833 1.364 1.00 0.00 C ATOM 1255 CE2 TYR A 615 0.538 -5.873 1.494 1.00 0.00 C ATOM 1256 CZ TYR A 615 1.511 -6.697 1.966 1.00 0.00 C ATOM 1257 OH TYR A 615 1.261 -7.420 3.091 1.00 0.00 O ATOM 0 H TYR A 615 1.191 -4.595 -3.789 1.00 0.00 H new ATOM 0 HA TYR A 615 3.965 -5.068 -2.870 1.00 0.00 H new ATOM 0 HB2 TYR A 615 2.992 -3.601 -1.353 1.00 0.00 H new ATOM 0 HB3 TYR A 615 1.376 -3.948 -1.935 1.00 0.00 H new ATOM 0 HD1 TYR A 615 3.942 -6.157 -0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 615 0.048 -4.446 -0.093 1.00 0.00 H new ATOM 0 HE1 TYR A 615 3.470 -7.499 1.770 1.00 0.00 H new ATOM 0 HE2 TYR A 615 -0.412 -5.794 2.001 1.00 0.00 H new ATOM 0 HH TYR A 615 0.339 -7.753 3.068 1.00 0.00 H new ATOM 1267 N THR A 616 3.784 -7.451 -2.445 1.00 0.00 N ATOM 1268 CA THR A 616 3.732 -8.879 -2.183 1.00 0.00 C ATOM 1269 C THR A 616 4.576 -9.227 -0.955 1.00 0.00 C ATOM 1270 O THR A 616 5.799 -9.105 -0.984 1.00 0.00 O ATOM 1271 CB THR A 616 4.176 -9.609 -3.452 1.00 0.00 C ATOM 1272 OG1 THR A 616 3.293 -9.123 -4.460 1.00 0.00 O ATOM 1273 CG2 THR A 616 3.887 -11.110 -3.396 1.00 0.00 C ATOM 0 H THR A 616 4.720 -7.082 -2.613 1.00 0.00 H new ATOM 0 HA THR A 616 2.718 -9.200 -1.944 1.00 0.00 H new ATOM 0 HB THR A 616 5.243 -9.450 -3.606 1.00 0.00 H new ATOM 0 HG1 THR A 616 3.512 -9.544 -5.317 1.00 0.00 H new ATOM 0 HG21 THR A 616 4.222 -11.580 -4.321 1.00 0.00 H new ATOM 0 HG22 THR A 616 4.418 -11.551 -2.552 1.00 0.00 H new ATOM 0 HG23 THR A 616 2.816 -11.270 -3.275 1.00 0.00 H new ATOM 1281 N PRO A 617 3.870 -9.665 0.121 1.00 0.00 N ATOM 1282 CA PRO A 617 4.541 -10.032 1.357 1.00 0.00 C ATOM 1283 C PRO A 617 5.239 -11.386 1.220 1.00 0.00 C ATOM 1284 O PRO A 617 4.650 -12.425 1.515 1.00 0.00 O ATOM 1285 CB PRO A 617 3.448 -10.031 2.413 1.00 0.00 C ATOM 1286 CG PRO A 617 2.134 -10.120 1.654 1.00 0.00 C ATOM 1287 CD PRO A 617 2.420 -9.821 0.191 1.00 0.00 C ATOM 0 HA PRO A 617 5.337 -9.338 1.626 1.00 0.00 H new ATOM 0 HB2 PRO A 617 3.563 -10.874 3.095 1.00 0.00 H new ATOM 0 HB3 PRO A 617 3.489 -9.125 3.017 1.00 0.00 H new ATOM 0 HG2 PRO A 617 1.697 -11.113 1.762 1.00 0.00 H new ATOM 0 HG3 PRO A 617 1.412 -9.408 2.055 1.00 0.00 H new ATOM 0 HD2 PRO A 617 2.077 -10.631 -0.453 1.00 0.00 H new ATOM 0 HD3 PRO A 617 1.908 -8.916 -0.136 1.00 0.00 H new ATOM 1295 N GLY A 618 6.485 -11.331 0.773 1.00 0.00 N ATOM 1296 CA GLY A 618 7.270 -12.541 0.594 1.00 0.00 C ATOM 1297 C GLY A 618 7.996 -12.920 1.886 1.00 0.00 C ATOM 1298 O GLY A 618 7.544 -12.580 2.978 1.00 0.00 O ATOM 0 H GLY A 618 6.970 -10.468 0.529 1.00 0.00 H new ATOM 0 HA2 GLY A 618 6.619 -13.359 0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 618 7.996 -12.393 -0.205 1.00 0.00 H new ATOM 1302 N SER A 619 9.108 -13.621 1.719 1.00 0.00 N ATOM 1303 CA SER A 619 9.900 -14.050 2.858 1.00 0.00 C ATOM 1304 C SER A 619 11.038 -14.961 2.391 1.00 0.00 C ATOM 1305 O SER A 619 12.123 -14.952 2.971 1.00 0.00 O ATOM 1306 CB SER A 619 9.033 -14.771 3.892 1.00 0.00 C ATOM 1307 OG SER A 619 8.477 -13.869 4.845 1.00 0.00 O ATOM 0 H SER A 619 9.479 -13.902 0.811 1.00 0.00 H new ATOM 0 HA SER A 619 10.323 -13.165 3.333 1.00 0.00 H new ATOM 0 HB2 SER A 619 8.229 -15.302 3.383 1.00 0.00 H new ATOM 0 HB3 SER A 619 9.633 -15.520 4.409 1.00 0.00 H new ATOM 0 HG SER A 619 7.758 -13.352 4.425 1.00 0.00 H new ATOM 1313 N ASN A 620 10.750 -15.726 1.349 1.00 0.00 N ATOM 1314 CA ASN A 620 11.735 -16.641 0.797 1.00 0.00 C ATOM 1315 C ASN A 620 12.578 -15.907 -0.247 1.00 0.00 C ATOM 1316 O ASN A 620 12.389 -16.098 -1.448 1.00 0.00 O ATOM 1317 CB ASN A 620 11.059 -17.829 0.110 1.00 0.00 C ATOM 1318 CG ASN A 620 11.061 -19.061 1.017 1.00 0.00 C ATOM 1319 OD1 ASN A 620 10.028 -19.589 1.393 1.00 0.00 O ATOM 1320 ND2 ASN A 620 12.277 -19.489 1.346 1.00 0.00 N ATOM 0 H ASN A 620 9.848 -15.731 0.872 1.00 0.00 H new ATOM 0 HA ASN A 620 12.355 -17.004 1.617 1.00 0.00 H new ATOM 0 HB2 ASN A 620 10.034 -17.567 -0.151 1.00 0.00 H new ATOM 0 HB3 ASN A 620 11.577 -18.058 -0.821 1.00 0.00 H new ATOM 0 HD21 ASN A 620 12.385 -20.306 1.948 1.00 0.00 H new ATOM 0 HD22 ASN A 620 13.101 -19.001 0.997 1.00 0.00 H new ATOM 1327 N GLY A 621 13.490 -15.083 0.247 1.00 0.00 N ATOM 1328 CA GLY A 621 14.363 -14.320 -0.629 1.00 0.00 C ATOM 1329 C GLY A 621 13.865 -12.881 -0.779 1.00 0.00 C ATOM 1330 O GLY A 621 14.665 -11.949 -0.855 1.00 0.00 O ATOM 0 H GLY A 621 13.644 -14.927 1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 621 15.376 -14.318 -0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 621 14.409 -14.797 -1.608 1.00 0.00 H new ATOM 1334 N ALA A 622 12.548 -12.745 -0.818 1.00 0.00 N ATOM 1335 CA ALA A 622 11.935 -11.435 -0.958 1.00 0.00 C ATOM 1336 C ALA A 622 11.078 -11.143 0.275 1.00 0.00 C ATOM 1337 O ALA A 622 9.981 -11.683 0.415 1.00 0.00 O ATOM 1338 CB ALA A 622 11.125 -11.386 -2.256 1.00 0.00 C ATOM 0 H ALA A 622 11.888 -13.520 -0.755 1.00 0.00 H new ATOM 0 HA ALA A 622 12.698 -10.659 -1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 622 10.665 -10.403 -2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 622 11.785 -11.570 -3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 622 10.347 -12.149 -2.229 1.00 0.00 H new ATOM 1344 N ALA A 623 11.610 -10.290 1.138 1.00 0.00 N ATOM 1345 CA ALA A 623 10.907 -9.920 2.355 1.00 0.00 C ATOM 1346 C ALA A 623 10.114 -8.635 2.110 1.00 0.00 C ATOM 1347 O ALA A 623 10.681 -7.543 2.100 1.00 0.00 O ATOM 1348 CB ALA A 623 11.911 -9.776 3.500 1.00 0.00 C ATOM 0 H ALA A 623 12.520 -9.844 1.019 1.00 0.00 H new ATOM 0 HA ALA A 623 10.197 -10.696 2.639 1.00 0.00 H new ATOM 0 HB1 ALA A 623 11.384 -9.498 4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 623 12.427 -10.724 3.653 1.00 0.00 H new ATOM 0 HB3 ALA A 623 12.638 -9.003 3.251 1.00 0.00 H new ATOM 1354 N GLY A 624 8.814 -8.806 1.918 1.00 0.00 N ATOM 1355 CA GLY A 624 7.938 -7.674 1.674 1.00 0.00 C ATOM 1356 C GLY A 624 8.522 -6.748 0.605 1.00 0.00 C ATOM 1357 O GLY A 624 9.381 -5.918 0.899 1.00 0.00 O ATOM 0 H GLY A 624 8.347 -9.713 1.927 1.00 0.00 H new ATOM 0 HA2 GLY A 624 6.958 -8.030 1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 624 7.790 -7.118 2.600 1.00 0.00 H new ATOM 1361 N THR A 625 8.034 -6.922 -0.614 1.00 0.00 N ATOM 1362 CA THR A 625 8.497 -6.113 -1.729 1.00 0.00 C ATOM 1363 C THR A 625 7.314 -5.663 -2.589 1.00 0.00 C ATOM 1364 O THR A 625 6.304 -6.359 -2.675 1.00 0.00 O ATOM 1365 CB THR A 625 9.537 -6.925 -2.503 1.00 0.00 C ATOM 1366 OG1 THR A 625 8.887 -8.168 -2.758 1.00 0.00 O ATOM 1367 CG2 THR A 625 10.742 -7.306 -1.641 1.00 0.00 C ATOM 0 H THR A 625 7.322 -7.612 -0.855 1.00 0.00 H new ATOM 0 HA THR A 625 8.973 -5.196 -1.381 1.00 0.00 H new ATOM 0 HB THR A 625 9.875 -6.353 -3.367 1.00 0.00 H new ATOM 0 HG1 THR A 625 9.490 -8.756 -3.258 1.00 0.00 H new ATOM 0 HG21 THR A 625 11.449 -7.881 -2.238 1.00 0.00 H new ATOM 0 HG22 THR A 625 11.228 -6.402 -1.274 1.00 0.00 H new ATOM 0 HG23 THR A 625 10.409 -7.907 -0.795 1.00 0.00 H new ATOM 1375 N ILE A 626 7.479 -4.501 -3.204 1.00 0.00 N ATOM 1376 CA ILE A 626 6.438 -3.950 -4.054 1.00 0.00 C ATOM 1377 C ILE A 626 6.988 -3.761 -5.470 1.00 0.00 C ATOM 1378 O ILE A 626 8.042 -3.154 -5.654 1.00 0.00 O ATOM 1379 CB ILE A 626 5.867 -2.670 -3.441 1.00 0.00 C ATOM 1380 CG1 ILE A 626 6.097 -2.637 -1.929 1.00 0.00 C ATOM 1381 CG2 ILE A 626 4.389 -2.502 -3.800 1.00 0.00 C ATOM 1382 CD1 ILE A 626 5.496 -1.373 -1.310 1.00 0.00 C ATOM 0 H ILE A 626 8.318 -3.926 -3.130 1.00 0.00 H new ATOM 0 HA ILE A 626 5.600 -4.643 -4.127 1.00 0.00 H new ATOM 0 HB ILE A 626 6.400 -1.820 -3.867 1.00 0.00 H new ATOM 0 HG12 ILE A 626 5.650 -3.519 -1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 626 7.166 -2.676 -1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 626 4.008 -1.584 -3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 626 4.282 -2.449 -4.883 1.00 0.00 H new ATOM 0 HG23 ILE A 626 3.823 -3.353 -3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 626 5.674 -1.375 -0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 626 5.963 -0.493 -1.753 1.00 0.00 H new ATOM 0 HD13 ILE A 626 4.423 -1.349 -1.501 1.00 0.00 H new ATOM 1394 N ARG A 627 6.250 -4.293 -6.433 1.00 0.00 N ATOM 1395 CA ARG A 627 6.651 -4.191 -7.826 1.00 0.00 C ATOM 1396 C ARG A 627 5.719 -3.239 -8.578 1.00 0.00 C ATOM 1397 O ARG A 627 4.498 -3.353 -8.479 1.00 0.00 O ATOM 1398 CB ARG A 627 6.628 -5.561 -8.507 1.00 0.00 C ATOM 1399 CG ARG A 627 8.041 -6.131 -8.640 1.00 0.00 C ATOM 1400 CD ARG A 627 8.528 -6.705 -7.308 1.00 0.00 C ATOM 1401 NE ARG A 627 9.553 -5.815 -6.718 1.00 0.00 N ATOM 1402 CZ ARG A 627 10.739 -5.536 -7.300 1.00 0.00 C ATOM 1403 NH1 ARG A 627 11.059 -6.075 -8.495 1.00 0.00 N ATOM 1404 NH2 ARG A 627 11.580 -4.727 -6.683 1.00 0.00 N ATOM 0 H ARG A 627 5.377 -4.796 -6.276 1.00 0.00 H new ATOM 0 HA ARG A 627 7.669 -3.803 -7.851 1.00 0.00 H new ATOM 0 HB2 ARG A 627 6.008 -6.247 -7.930 1.00 0.00 H new ATOM 0 HB3 ARG A 627 6.173 -5.473 -9.494 1.00 0.00 H new ATOM 0 HG2 ARG A 627 8.052 -6.910 -9.402 1.00 0.00 H new ATOM 0 HG3 ARG A 627 8.723 -5.349 -8.974 1.00 0.00 H new ATOM 0 HD2 ARG A 627 7.689 -6.813 -6.621 1.00 0.00 H new ATOM 0 HD3 ARG A 627 8.944 -7.701 -7.462 1.00 0.00 H new ATOM 0 HE ARG A 627 9.351 -5.386 -5.815 1.00 0.00 H new ATOM 0 HH11 ARG A 627 10.403 -6.698 -8.965 1.00 0.00 H new ATOM 0 HH12 ARG A 627 11.957 -5.859 -8.928 1.00 0.00 H new ATOM 0 HH21 ARG A 627 11.330 -4.323 -5.780 1.00 0.00 H new ATOM 0 HH22 ARG A 627 12.480 -4.506 -7.109 1.00 0.00 H new ATOM 1417 N THR A 628 6.330 -2.322 -9.313 1.00 0.00 N ATOM 1418 CA THR A 628 5.570 -1.351 -10.081 1.00 0.00 C ATOM 1419 C THR A 628 4.993 -2.001 -11.340 1.00 0.00 C ATOM 1420 O THR A 628 5.603 -2.902 -11.914 1.00 0.00 O ATOM 1421 CB THR A 628 6.486 -0.161 -10.378 1.00 0.00 C ATOM 1422 OG1 THR A 628 7.676 -0.449 -9.648 1.00 0.00 O ATOM 1423 CG2 THR A 628 5.974 1.140 -9.757 1.00 0.00 C ATOM 0 H THR A 628 7.343 -2.231 -9.393 1.00 0.00 H new ATOM 0 HA THR A 628 4.711 -0.986 -9.518 1.00 0.00 H new ATOM 0 HB THR A 628 6.581 -0.036 -11.457 1.00 0.00 H new ATOM 0 HG1 THR A 628 8.326 0.271 -9.785 1.00 0.00 H new ATOM 0 HG21 THR A 628 6.660 1.952 -9.997 1.00 0.00 H new ATOM 0 HG22 THR A 628 4.986 1.369 -10.156 1.00 0.00 H new ATOM 0 HG23 THR A 628 5.911 1.027 -8.675 1.00 0.00 H new ATOM 1431 N GLY A 629 3.823 -1.518 -11.733 1.00 0.00 N ATOM 1432 CA GLY A 629 3.156 -2.041 -12.913 1.00 0.00 C ATOM 1433 C GLY A 629 1.872 -2.782 -12.535 1.00 0.00 C ATOM 1434 O GLY A 629 1.834 -3.493 -11.532 1.00 0.00 O ATOM 0 H GLY A 629 3.320 -0.770 -11.255 1.00 0.00 H new ATOM 0 HA2 GLY A 629 2.921 -1.223 -13.594 1.00 0.00 H new ATOM 0 HA3 GLY A 629 3.826 -2.716 -13.445 1.00 0.00 H new ATOM 1438 N ALA A 630 0.851 -2.589 -13.358 1.00 0.00 N ATOM 1439 CA ALA A 630 -0.431 -3.230 -13.122 1.00 0.00 C ATOM 1440 C ALA A 630 -0.246 -4.749 -13.126 1.00 0.00 C ATOM 1441 O ALA A 630 0.247 -5.315 -14.100 1.00 0.00 O ATOM 1442 CB ALA A 630 -1.437 -2.763 -14.175 1.00 0.00 C ATOM 0 H ALA A 630 0.886 -1.998 -14.189 1.00 0.00 H new ATOM 0 HA ALA A 630 -0.826 -2.949 -12.146 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -2.399 -3.244 -13.998 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -1.555 -1.681 -14.111 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -1.075 -3.030 -15.168 1.00 0.00 H new ATOM 1448 N PRO A 631 -0.662 -5.382 -11.996 1.00 0.00 N ATOM 1449 CA PRO A 631 -0.548 -6.824 -11.861 1.00 0.00 C ATOM 1450 C PRO A 631 -1.612 -7.539 -12.695 1.00 0.00 C ATOM 1451 O PRO A 631 -2.589 -6.925 -13.120 1.00 0.00 O ATOM 1452 CB PRO A 631 -0.683 -7.091 -10.371 1.00 0.00 C ATOM 1453 CG PRO A 631 -1.329 -5.848 -9.781 1.00 0.00 C ATOM 1454 CD PRO A 631 -1.251 -4.744 -10.822 1.00 0.00 C ATOM 0 HA PRO A 631 0.400 -7.208 -12.237 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -1.295 -7.974 -10.186 1.00 0.00 H new ATOM 0 HB3 PRO A 631 0.291 -7.277 -9.918 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -2.367 -6.048 -9.513 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -0.816 -5.548 -8.867 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -2.238 -4.339 -11.045 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -0.637 -3.913 -10.473 1.00 0.00 H new ATOM 1462 N SER A 632 -1.386 -8.828 -12.905 1.00 0.00 N ATOM 1463 CA SER A 632 -2.314 -9.633 -13.681 1.00 0.00 C ATOM 1464 C SER A 632 -2.436 -11.029 -13.067 1.00 0.00 C ATOM 1465 O SER A 632 -1.803 -11.975 -13.534 1.00 0.00 O ATOM 1466 CB SER A 632 -1.868 -9.733 -15.141 1.00 0.00 C ATOM 1467 OG SER A 632 -2.808 -10.449 -15.939 1.00 0.00 O ATOM 0 H SER A 632 -0.574 -9.334 -12.551 1.00 0.00 H new ATOM 0 HA SER A 632 -3.289 -9.147 -13.659 1.00 0.00 H new ATOM 0 HB2 SER A 632 -1.735 -8.731 -15.549 1.00 0.00 H new ATOM 0 HB3 SER A 632 -0.898 -10.229 -15.191 1.00 0.00 H new ATOM 0 HG SER A 632 -2.488 -10.490 -16.864 1.00 0.00 H new ATOM 1473 N GLY A 633 -3.254 -11.114 -12.028 1.00 0.00 N ATOM 1474 CA GLY A 633 -3.466 -12.379 -11.344 1.00 0.00 C ATOM 1475 C GLY A 633 -2.134 -13.039 -10.984 1.00 0.00 C ATOM 1476 O GLY A 633 -1.918 -14.212 -11.281 1.00 0.00 O ATOM 0 H GLY A 633 -3.778 -10.328 -11.643 1.00 0.00 H new ATOM 0 HA2 GLY A 633 -4.050 -12.213 -10.439 1.00 0.00 H new ATOM 0 HA3 GLY A 633 -4.047 -13.047 -11.980 1.00 0.00 H new TER 1480 GLY A 633