USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=31 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 70:sc= 0.329 USER MOD Set 1.2: A 610 THR OG1 : rot 180:sc= 0.0171 USER MOD Set 2.1: A 537 THR OG1 : rot 180:sc= -0.128 USER MOD Set 2.2: A 578 THR OG1 : rot 180:sc=-0.00394 USER MOD Single : A 532 THR OG1 : rot 180:sc= 0 USER MOD Single : A 533 THR OG1 : rot 56:sc= 0.64 USER MOD Single : A 534 ASN : amide:sc= -1.54! C(o=-1.5!,f=-2.1!) USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 539 TYR OH : rot 180:sc= -0.142 USER MOD Single : A 540 TYR OH : rot 180:sc= -0.0653 USER MOD Single : A 541 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 542 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 ASN : amide:sc= -1.82 X(o=-1.8,f=-2.1) USER MOD Single : A 546 SER OG : rot -63:sc= 0.116 USER MOD Single : A 548 TYR OH : rot 180:sc= 0 USER MOD Single : A 550 HIS : no HD1:sc= -7.03! C(o=-7!,f=-5.3!) USER MOD Single : A 551 TYR OH : rot 171:sc= -4.68! USER MOD Single : A 557 SER OG : rot 180:sc= 0 USER MOD Single : A 559 THR OG1 : rot 180:sc= 0.0635 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 566 MET CE :methyl -112:sc= -8.06! (180deg=-11.2!) USER MOD Single : A 567 GLN : amide:sc= -0.0304 K(o=-0.03,f=-0.8) USER MOD Single : A 572 SER OG : rot 180:sc= 0 USER MOD Single : A 574 TYR OH : rot 180:sc= -1.96! USER MOD Single : A 576 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 583 SER OG : rot -95:sc= -0.184! USER MOD Single : A 585 SER OG : rot 180:sc= 0 USER MOD Single : A 586 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.43) USER MOD Single : A 592 ASN : amide:sc= -0.256 K(o=-0.26,f=-3.2) USER MOD Single : A 595 ASN : amide:sc= -0.277 K(o=-0.28,f=-2.7!) USER MOD Single : A 596 ASN : amide:sc= -0.0658 K(o=-0.066,f=-1.2) USER MOD Single : A 597 ASN : amide:sc= -0.0248 X(o=-0.025,f=-0.37) USER MOD Single : A 600 SER OG : rot -69:sc= 1.08 USER MOD Single : A 601 ASN : amide:sc= -11.2! C(o=-11!,f=-30!) USER MOD Single : A 602 ASN : amide:sc=-0.00607 X(o=-0.0061,f=0) USER MOD Single : A 603 THR OG1 : rot 47:sc= 0.946 USER MOD Single : A 604 LYS NZ :NH3+ 145:sc= -0.0331 (180deg=-1.78!) USER MOD Single : A 605 ASN : amide:sc= -6.46! K(o=-6.5!,f=-3.5) USER MOD Single : A 606 TYR OH : rot -104:sc= 1.04 USER MOD Single : A 612 THR OG1 : rot 180:sc= 0 USER MOD Single : A 613 SER OG : rot 180:sc= 0 USER MOD Single : A 614 THR OG1 : rot 90:sc= -0.376 USER MOD Single : A 615 TYR OH : rot 162:sc= 0.508 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= 0.575 K(o=0.57,f=-4.7!) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 628 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 632 SER OG : rot 52:sc= 0.267 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 530 3.169 21.633 -4.560 1.00 0.00 N ATOM 2 CA GLY A 530 2.112 21.896 -5.522 1.00 0.00 C ATOM 3 C GLY A 530 1.134 20.722 -5.596 1.00 0.00 C ATOM 4 O GLY A 530 0.407 20.454 -4.641 1.00 0.00 O ATOM 0 HA2 GLY A 530 1.577 22.803 -5.241 1.00 0.00 H new ATOM 0 HA3 GLY A 530 2.547 22.075 -6.506 1.00 0.00 H new ATOM 8 N GLY A 531 1.148 20.054 -6.740 1.00 0.00 N ATOM 9 CA GLY A 531 0.271 18.914 -6.951 1.00 0.00 C ATOM 10 C GLY A 531 -1.198 19.325 -6.839 1.00 0.00 C ATOM 11 O GLY A 531 -1.559 20.124 -5.975 1.00 0.00 O ATOM 0 H GLY A 531 1.752 20.280 -7.530 1.00 0.00 H new ATOM 0 HA2 GLY A 531 0.458 18.484 -7.935 1.00 0.00 H new ATOM 0 HA3 GLY A 531 0.493 18.139 -6.217 1.00 0.00 H new ATOM 15 N THR A 532 -2.007 18.760 -7.723 1.00 0.00 N ATOM 16 CA THR A 532 -3.429 19.057 -7.733 1.00 0.00 C ATOM 17 C THR A 532 -4.199 18.011 -6.924 1.00 0.00 C ATOM 18 O THR A 532 -4.626 18.280 -5.803 1.00 0.00 O ATOM 19 CB THR A 532 -3.882 19.151 -9.192 1.00 0.00 C ATOM 20 OG1 THR A 532 -3.161 20.266 -9.708 1.00 0.00 O ATOM 21 CG2 THR A 532 -5.350 19.563 -9.324 1.00 0.00 C ATOM 0 H THR A 532 -1.705 18.098 -8.438 1.00 0.00 H new ATOM 0 HA THR A 532 -3.637 20.012 -7.250 1.00 0.00 H new ATOM 0 HB THR A 532 -3.729 18.189 -9.682 1.00 0.00 H new ATOM 0 HG1 THR A 532 -3.393 20.398 -10.651 1.00 0.00 H new ATOM 0 HG21 THR A 532 -5.620 19.615 -10.379 1.00 0.00 H new ATOM 0 HG22 THR A 532 -5.981 18.828 -8.824 1.00 0.00 H new ATOM 0 HG23 THR A 532 -5.496 20.540 -8.864 1.00 0.00 H new ATOM 29 N THR A 533 -4.352 16.841 -7.525 1.00 0.00 N ATOM 30 CA THR A 533 -5.063 15.753 -6.875 1.00 0.00 C ATOM 31 C THR A 533 -4.815 14.436 -7.614 1.00 0.00 C ATOM 32 O THR A 533 -5.559 14.084 -8.528 1.00 0.00 O ATOM 33 CB THR A 533 -6.542 16.135 -6.795 1.00 0.00 C ATOM 34 OG1 THR A 533 -6.741 16.467 -5.423 1.00 0.00 O ATOM 35 CG2 THR A 533 -7.469 14.941 -7.028 1.00 0.00 C ATOM 0 H THR A 533 -3.996 16.622 -8.455 1.00 0.00 H new ATOM 0 HA THR A 533 -4.698 15.594 -5.860 1.00 0.00 H new ATOM 0 HB THR A 533 -6.757 16.910 -7.531 1.00 0.00 H new ATOM 0 HG1 THR A 533 -6.110 17.170 -5.162 1.00 0.00 H new ATOM 0 HG21 THR A 533 -8.507 15.267 -6.960 1.00 0.00 H new ATOM 0 HG22 THR A 533 -7.284 14.524 -8.018 1.00 0.00 H new ATOM 0 HG23 THR A 533 -7.278 14.179 -6.272 1.00 0.00 H new ATOM 43 N ASN A 534 -3.767 13.745 -7.190 1.00 0.00 N ATOM 44 CA ASN A 534 -3.412 12.475 -7.800 1.00 0.00 C ATOM 45 C ASN A 534 -3.846 11.333 -6.880 1.00 0.00 C ATOM 46 O ASN A 534 -4.388 11.571 -5.802 1.00 0.00 O ATOM 47 CB ASN A 534 -1.899 12.367 -8.006 1.00 0.00 C ATOM 48 CG ASN A 534 -1.556 12.231 -9.491 1.00 0.00 C ATOM 49 OD1 ASN A 534 -2.289 11.648 -10.273 1.00 0.00 O ATOM 50 ND2 ASN A 534 -0.405 12.801 -9.835 1.00 0.00 N ATOM 0 H ASN A 534 -3.152 14.041 -6.432 1.00 0.00 H new ATOM 0 HA ASN A 534 -3.913 12.413 -8.766 1.00 0.00 H new ATOM 0 HB2 ASN A 534 -1.409 13.250 -7.595 1.00 0.00 H new ATOM 0 HB3 ASN A 534 -1.515 11.506 -7.460 1.00 0.00 H new ATOM 0 HD21 ASN A 534 -0.088 12.766 -10.804 1.00 0.00 H new ATOM 0 HD22 ASN A 534 0.161 13.273 -9.130 1.00 0.00 H new ATOM 57 N LYS A 535 -3.592 10.116 -7.340 1.00 0.00 N ATOM 58 CA LYS A 535 -3.950 8.936 -6.571 1.00 0.00 C ATOM 59 C LYS A 535 -2.889 7.855 -6.781 1.00 0.00 C ATOM 60 O LYS A 535 -2.246 7.805 -7.828 1.00 0.00 O ATOM 61 CB LYS A 535 -5.369 8.481 -6.919 1.00 0.00 C ATOM 62 CG LYS A 535 -6.412 9.382 -6.254 1.00 0.00 C ATOM 63 CD LYS A 535 -7.815 9.083 -6.788 1.00 0.00 C ATOM 64 CE LYS A 535 -8.804 8.868 -5.641 1.00 0.00 C ATOM 65 NZ LYS A 535 -10.187 8.779 -6.160 1.00 0.00 N ATOM 0 H LYS A 535 -3.143 9.922 -8.235 1.00 0.00 H new ATOM 0 HA LYS A 535 -3.965 9.165 -5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 535 -5.505 8.498 -8.000 1.00 0.00 H new ATOM 0 HB3 LYS A 535 -5.514 7.450 -6.595 1.00 0.00 H new ATOM 0 HG2 LYS A 535 -6.391 9.234 -5.174 1.00 0.00 H new ATOM 0 HG3 LYS A 535 -6.164 10.428 -6.437 1.00 0.00 H new ATOM 0 HD2 LYS A 535 -8.153 9.908 -7.414 1.00 0.00 H new ATOM 0 HD3 LYS A 535 -7.786 8.195 -7.419 1.00 0.00 H new ATOM 0 HE2 LYS A 535 -8.552 7.955 -5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 535 -8.729 9.690 -4.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 -10.846 8.633 -5.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 -10.430 9.661 -6.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 -10.259 7.980 -6.822 1.00 0.00 H new ATOM 78 N VAL A 536 -2.737 7.015 -5.767 1.00 0.00 N ATOM 79 CA VAL A 536 -1.765 5.937 -5.827 1.00 0.00 C ATOM 80 C VAL A 536 -2.486 4.596 -5.681 1.00 0.00 C ATOM 81 O VAL A 536 -3.097 4.325 -4.649 1.00 0.00 O ATOM 82 CB VAL A 536 -0.681 6.151 -4.768 1.00 0.00 C ATOM 83 CG1 VAL A 536 0.431 7.059 -5.298 1.00 0.00 C ATOM 84 CG2 VAL A 536 -1.279 6.713 -3.477 1.00 0.00 C ATOM 0 H VAL A 536 -3.271 7.060 -4.899 1.00 0.00 H new ATOM 0 HA VAL A 536 -1.261 5.931 -6.793 1.00 0.00 H new ATOM 0 HB VAL A 536 -0.241 5.181 -4.538 1.00 0.00 H new ATOM 0 HG11 VAL A 536 1.189 7.195 -4.526 1.00 0.00 H new ATOM 0 HG12 VAL A 536 0.886 6.602 -6.177 1.00 0.00 H new ATOM 0 HG13 VAL A 536 0.011 8.028 -5.569 1.00 0.00 H new ATOM 0 HG21 VAL A 536 -0.487 6.856 -2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -1.758 7.670 -3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -2.018 6.015 -3.084 1.00 0.00 H new ATOM 94 N THR A 537 -2.391 3.792 -6.730 1.00 0.00 N ATOM 95 CA THR A 537 -3.027 2.486 -6.732 1.00 0.00 C ATOM 96 C THR A 537 -1.996 1.390 -6.455 1.00 0.00 C ATOM 97 O THR A 537 -1.014 1.258 -7.184 1.00 0.00 O ATOM 98 CB THR A 537 -3.752 2.315 -8.069 1.00 0.00 C ATOM 99 OG1 THR A 537 -4.906 3.141 -7.947 1.00 0.00 O ATOM 100 CG2 THR A 537 -4.320 0.906 -8.251 1.00 0.00 C ATOM 0 H THR A 537 -1.883 4.020 -7.585 1.00 0.00 H new ATOM 0 HA THR A 537 -3.764 2.404 -5.933 1.00 0.00 H new ATOM 0 HB THR A 537 -3.065 2.538 -8.885 1.00 0.00 H new ATOM 0 HG1 THR A 537 -5.433 3.091 -8.772 1.00 0.00 H new ATOM 0 HG21 THR A 537 -4.824 0.839 -9.215 1.00 0.00 H new ATOM 0 HG22 THR A 537 -3.509 0.179 -8.214 1.00 0.00 H new ATOM 0 HG23 THR A 537 -5.033 0.695 -7.454 1.00 0.00 H new ATOM 108 N VAL A 538 -2.255 0.632 -5.400 1.00 0.00 N ATOM 109 CA VAL A 538 -1.361 -0.448 -5.017 1.00 0.00 C ATOM 110 C VAL A 538 -2.162 -1.746 -4.891 1.00 0.00 C ATOM 111 O VAL A 538 -3.223 -1.767 -4.270 1.00 0.00 O ATOM 112 CB VAL A 538 -0.615 -0.079 -3.733 1.00 0.00 C ATOM 113 CG1 VAL A 538 0.627 -0.955 -3.550 1.00 0.00 C ATOM 114 CG2 VAL A 538 -0.245 1.405 -3.721 1.00 0.00 C ATOM 0 H VAL A 538 -3.071 0.744 -4.798 1.00 0.00 H new ATOM 0 HA VAL A 538 -0.603 -0.607 -5.784 1.00 0.00 H new ATOM 0 HB VAL A 538 -1.283 -0.264 -2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 538 1.139 -0.672 -2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 538 0.329 -2.002 -3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 538 1.299 -0.815 -4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 538 0.284 1.641 -2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 538 0.397 1.627 -4.574 1.00 0.00 H new ATOM 0 HG23 VAL A 538 -1.152 2.007 -3.783 1.00 0.00 H new ATOM 124 N TYR A 539 -1.622 -2.796 -5.491 1.00 0.00 N ATOM 125 CA TYR A 539 -2.272 -4.095 -5.454 1.00 0.00 C ATOM 126 C TYR A 539 -1.528 -5.055 -4.525 1.00 0.00 C ATOM 127 O TYR A 539 -0.337 -5.306 -4.710 1.00 0.00 O ATOM 128 CB TYR A 539 -2.212 -4.638 -6.883 1.00 0.00 C ATOM 129 CG TYR A 539 -3.543 -4.563 -7.635 1.00 0.00 C ATOM 130 CD1 TYR A 539 -4.200 -3.355 -7.756 1.00 0.00 C ATOM 131 CD2 TYR A 539 -4.086 -5.703 -8.191 1.00 0.00 C ATOM 132 CE1 TYR A 539 -5.452 -3.284 -8.463 1.00 0.00 C ATOM 133 CE2 TYR A 539 -5.339 -5.632 -8.898 1.00 0.00 C ATOM 134 CZ TYR A 539 -5.960 -4.426 -8.999 1.00 0.00 C ATOM 135 OH TYR A 539 -7.143 -4.360 -9.666 1.00 0.00 O ATOM 0 H TYR A 539 -0.742 -2.774 -6.006 1.00 0.00 H new ATOM 0 HA TYR A 539 -3.293 -4.002 -5.085 1.00 0.00 H new ATOM 0 HB2 TYR A 539 -1.460 -4.081 -7.441 1.00 0.00 H new ATOM 0 HB3 TYR A 539 -1.882 -5.676 -6.852 1.00 0.00 H new ATOM 0 HD1 TYR A 539 -3.775 -2.463 -7.320 1.00 0.00 H new ATOM 0 HD2 TYR A 539 -3.572 -6.648 -8.096 1.00 0.00 H new ATOM 0 HE1 TYR A 539 -5.976 -2.345 -8.565 1.00 0.00 H new ATOM 0 HE2 TYR A 539 -5.776 -6.516 -9.338 1.00 0.00 H new ATOM 0 HH TYR A 539 -7.383 -5.251 -9.995 1.00 0.00 H new ATOM 145 N TYR A 540 -2.259 -5.567 -3.545 1.00 0.00 N ATOM 146 CA TYR A 540 -1.682 -6.494 -2.587 1.00 0.00 C ATOM 147 C TYR A 540 -2.207 -7.913 -2.812 1.00 0.00 C ATOM 148 O TYR A 540 -3.391 -8.105 -3.084 1.00 0.00 O ATOM 149 CB TYR A 540 -2.133 -6.009 -1.207 1.00 0.00 C ATOM 150 CG TYR A 540 -1.592 -6.846 -0.046 1.00 0.00 C ATOM 151 CD1 TYR A 540 -0.230 -7.005 0.113 1.00 0.00 C ATOM 152 CD2 TYR A 540 -2.465 -7.441 0.841 1.00 0.00 C ATOM 153 CE1 TYR A 540 0.279 -7.792 1.206 1.00 0.00 C ATOM 154 CE2 TYR A 540 -1.956 -8.228 1.934 1.00 0.00 C ATOM 155 CZ TYR A 540 -0.609 -8.365 2.063 1.00 0.00 C ATOM 156 OH TYR A 540 -0.127 -9.108 3.095 1.00 0.00 O ATOM 0 H TYR A 540 -3.246 -5.357 -3.394 1.00 0.00 H new ATOM 0 HA TYR A 540 -0.597 -6.523 -2.687 1.00 0.00 H new ATOM 0 HB2 TYR A 540 -1.815 -4.975 -1.075 1.00 0.00 H new ATOM 0 HB3 TYR A 540 -3.222 -6.015 -1.169 1.00 0.00 H new ATOM 0 HD1 TYR A 540 0.453 -6.539 -0.582 1.00 0.00 H new ATOM 0 HD2 TYR A 540 -3.530 -7.316 0.716 1.00 0.00 H new ATOM 0 HE1 TYR A 540 1.342 -7.925 1.343 1.00 0.00 H new ATOM 0 HE2 TYR A 540 -2.629 -8.699 2.636 1.00 0.00 H new ATOM 0 HH TYR A 540 -0.874 -9.455 3.626 1.00 0.00 H new ATOM 166 N LYS A 541 -1.300 -8.872 -2.692 1.00 0.00 N ATOM 167 CA LYS A 541 -1.657 -10.268 -2.879 1.00 0.00 C ATOM 168 C LYS A 541 -2.037 -10.878 -1.529 1.00 0.00 C ATOM 169 O LYS A 541 -1.198 -10.989 -0.636 1.00 0.00 O ATOM 170 CB LYS A 541 -0.533 -11.016 -3.598 1.00 0.00 C ATOM 171 CG LYS A 541 -1.053 -12.307 -4.234 1.00 0.00 C ATOM 172 CD LYS A 541 -0.098 -12.807 -5.319 1.00 0.00 C ATOM 173 CE LYS A 541 0.178 -14.304 -5.160 1.00 0.00 C ATOM 174 NZ LYS A 541 -0.151 -15.027 -6.409 1.00 0.00 N ATOM 0 H LYS A 541 -0.318 -8.709 -2.468 1.00 0.00 H new ATOM 0 HA LYS A 541 -2.531 -10.355 -3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -0.100 -10.377 -4.367 1.00 0.00 H new ATOM 0 HB3 LYS A 541 0.263 -11.250 -2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -1.171 -13.073 -3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -2.039 -12.133 -4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 541 -0.527 -12.615 -6.302 1.00 0.00 H new ATOM 0 HD3 LYS A 541 0.839 -12.253 -5.267 1.00 0.00 H new ATOM 0 HE2 LYS A 541 1.226 -14.462 -4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 541 -0.413 -14.703 -4.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 0.042 -16.041 -6.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 -1.157 -14.891 -6.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 0.431 -14.657 -7.188 1.00 0.00 H new ATOM 187 N LYS A 542 -3.302 -11.258 -1.421 1.00 0.00 N ATOM 188 CA LYS A 542 -3.803 -11.855 -0.195 1.00 0.00 C ATOM 189 C LYS A 542 -3.413 -13.334 -0.156 1.00 0.00 C ATOM 190 O LYS A 542 -3.490 -14.026 -1.170 1.00 0.00 O ATOM 191 CB LYS A 542 -5.307 -11.611 -0.056 1.00 0.00 C ATOM 192 CG LYS A 542 -5.968 -12.717 0.769 1.00 0.00 C ATOM 193 CD LYS A 542 -7.044 -12.143 1.693 1.00 0.00 C ATOM 194 CE LYS A 542 -8.048 -11.299 0.906 1.00 0.00 C ATOM 195 NZ LYS A 542 -9.301 -11.131 1.676 1.00 0.00 N ATOM 0 H LYS A 542 -3.995 -11.164 -2.163 1.00 0.00 H new ATOM 0 HA LYS A 542 -3.345 -11.382 0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 542 -5.480 -10.645 0.419 1.00 0.00 H new ATOM 0 HB3 LYS A 542 -5.765 -11.567 -1.044 1.00 0.00 H new ATOM 0 HG2 LYS A 542 -6.412 -13.456 0.103 1.00 0.00 H new ATOM 0 HG3 LYS A 542 -5.213 -13.234 1.361 1.00 0.00 H new ATOM 0 HD2 LYS A 542 -7.565 -12.956 2.200 1.00 0.00 H new ATOM 0 HD3 LYS A 542 -6.577 -11.533 2.466 1.00 0.00 H new ATOM 0 HE2 LYS A 542 -7.617 -10.323 0.685 1.00 0.00 H new ATOM 0 HE3 LYS A 542 -8.263 -11.777 -0.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 542 -9.971 -10.556 1.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 542 -9.720 -12.064 1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 542 -9.094 -10.655 2.577 1.00 0.00 H new ATOM 208 N GLY A 543 -3.004 -13.774 1.024 1.00 0.00 N ATOM 209 CA GLY A 543 -2.943 -12.888 2.174 1.00 0.00 C ATOM 210 C GLY A 543 -3.040 -13.678 3.481 1.00 0.00 C ATOM 211 O GLY A 543 -2.321 -14.657 3.673 1.00 0.00 O ATOM 0 H GLY A 543 -2.711 -14.733 1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 543 -2.010 -12.324 2.154 1.00 0.00 H new ATOM 0 HA3 GLY A 543 -3.755 -12.163 2.122 1.00 0.00 H new ATOM 215 N PHE A 544 -3.934 -13.221 4.346 1.00 0.00 N ATOM 216 CA PHE A 544 -4.133 -13.873 5.629 1.00 0.00 C ATOM 217 C PHE A 544 -5.619 -14.137 5.885 1.00 0.00 C ATOM 218 O PHE A 544 -6.121 -15.219 5.586 1.00 0.00 O ATOM 219 CB PHE A 544 -3.605 -12.919 6.702 1.00 0.00 C ATOM 220 CG PHE A 544 -2.154 -13.183 7.111 1.00 0.00 C ATOM 221 CD1 PHE A 544 -1.803 -14.391 7.627 1.00 0.00 C ATOM 222 CD2 PHE A 544 -1.217 -12.210 6.957 1.00 0.00 C ATOM 223 CE1 PHE A 544 -0.457 -14.637 8.006 1.00 0.00 C ATOM 224 CE2 PHE A 544 0.130 -12.456 7.336 1.00 0.00 C ATOM 225 CZ PHE A 544 0.481 -13.664 7.852 1.00 0.00 C ATOM 0 H PHE A 544 -4.528 -12.408 4.184 1.00 0.00 H new ATOM 0 HA PHE A 544 -3.613 -14.831 5.644 1.00 0.00 H new ATOM 0 HB2 PHE A 544 -3.688 -11.896 6.336 1.00 0.00 H new ATOM 0 HB3 PHE A 544 -4.240 -12.994 7.585 1.00 0.00 H new ATOM 0 HD1 PHE A 544 -2.548 -15.163 7.749 1.00 0.00 H new ATOM 0 HD2 PHE A 544 -1.496 -11.251 6.547 1.00 0.00 H new ATOM 0 HE1 PHE A 544 -0.178 -15.596 8.416 1.00 0.00 H new ATOM 0 HE2 PHE A 544 0.875 -11.684 7.214 1.00 0.00 H new ATOM 0 HZ PHE A 544 1.505 -13.851 8.140 1.00 0.00 H new ATOM 235 N ASN A 545 -6.280 -13.129 6.435 1.00 0.00 N ATOM 236 CA ASN A 545 -7.697 -13.239 6.735 1.00 0.00 C ATOM 237 C ASN A 545 -8.356 -11.868 6.570 1.00 0.00 C ATOM 238 O ASN A 545 -9.356 -11.736 5.865 1.00 0.00 O ATOM 239 CB ASN A 545 -7.922 -13.702 8.175 1.00 0.00 C ATOM 240 CG ASN A 545 -6.870 -13.107 9.113 1.00 0.00 C ATOM 241 OD1 ASN A 545 -7.055 -12.060 9.711 1.00 0.00 O ATOM 242 ND2 ASN A 545 -5.758 -13.830 9.207 1.00 0.00 N ATOM 0 H ASN A 545 -5.860 -12.232 6.681 1.00 0.00 H new ATOM 0 HA ASN A 545 -8.131 -13.969 6.051 1.00 0.00 H new ATOM 0 HB2 ASN A 545 -8.918 -13.405 8.505 1.00 0.00 H new ATOM 0 HB3 ASN A 545 -7.882 -14.790 8.221 1.00 0.00 H new ATOM 0 HD21 ASN A 545 -4.995 -13.517 9.807 1.00 0.00 H new ATOM 0 HD22 ASN A 545 -5.668 -14.698 8.679 1.00 0.00 H new ATOM 249 N SER A 546 -7.770 -10.882 7.233 1.00 0.00 N ATOM 250 CA SER A 546 -8.288 -9.526 7.170 1.00 0.00 C ATOM 251 C SER A 546 -7.240 -8.541 7.692 1.00 0.00 C ATOM 252 O SER A 546 -7.477 -7.842 8.677 1.00 0.00 O ATOM 253 CB SER A 546 -9.586 -9.394 7.969 1.00 0.00 C ATOM 254 OG SER A 546 -10.176 -8.105 7.819 1.00 0.00 O ATOM 0 H SER A 546 -6.941 -10.995 7.817 1.00 0.00 H new ATOM 0 HA SER A 546 -8.510 -9.293 6.129 1.00 0.00 H new ATOM 0 HB2 SER A 546 -10.293 -10.157 7.641 1.00 0.00 H new ATOM 0 HB3 SER A 546 -9.383 -9.579 9.024 1.00 0.00 H new ATOM 0 HG SER A 546 -9.571 -7.424 8.182 1.00 0.00 H new ATOM 260 N PRO A 547 -6.075 -8.515 6.992 1.00 0.00 N ATOM 261 CA PRO A 547 -4.991 -7.627 7.374 1.00 0.00 C ATOM 262 C PRO A 547 -5.300 -6.182 6.979 1.00 0.00 C ATOM 263 O PRO A 547 -5.995 -5.940 5.993 1.00 0.00 O ATOM 264 CB PRO A 547 -3.761 -8.184 6.676 1.00 0.00 C ATOM 265 CG PRO A 547 -4.282 -9.080 5.564 1.00 0.00 C ATOM 266 CD PRO A 547 -5.760 -9.329 5.821 1.00 0.00 C ATOM 0 HA PRO A 547 -4.838 -7.591 8.453 1.00 0.00 H new ATOM 0 HB2 PRO A 547 -3.143 -7.381 6.273 1.00 0.00 H new ATOM 0 HB3 PRO A 547 -3.139 -8.747 7.372 1.00 0.00 H new ATOM 0 HG2 PRO A 547 -4.138 -8.607 4.593 1.00 0.00 H new ATOM 0 HG3 PRO A 547 -3.734 -10.022 5.544 1.00 0.00 H new ATOM 0 HD2 PRO A 547 -6.366 -9.039 4.962 1.00 0.00 H new ATOM 0 HD3 PRO A 547 -5.957 -10.385 6.008 1.00 0.00 H new ATOM 274 N TYR A 548 -4.769 -5.259 7.767 1.00 0.00 N ATOM 275 CA TYR A 548 -4.979 -3.845 7.512 1.00 0.00 C ATOM 276 C TYR A 548 -3.686 -3.173 7.046 1.00 0.00 C ATOM 277 O TYR A 548 -2.592 -3.613 7.398 1.00 0.00 O ATOM 278 CB TYR A 548 -5.405 -3.233 8.848 1.00 0.00 C ATOM 279 CG TYR A 548 -6.917 -3.050 8.995 1.00 0.00 C ATOM 280 CD1 TYR A 548 -7.686 -4.064 9.530 1.00 0.00 C ATOM 281 CD2 TYR A 548 -7.512 -1.872 8.593 1.00 0.00 C ATOM 282 CE1 TYR A 548 -9.109 -3.891 9.669 1.00 0.00 C ATOM 283 CE2 TYR A 548 -8.935 -1.700 8.731 1.00 0.00 C ATOM 284 CZ TYR A 548 -9.663 -2.718 9.262 1.00 0.00 C ATOM 285 OH TYR A 548 -11.007 -2.555 9.393 1.00 0.00 O ATOM 0 H TYR A 548 -4.193 -5.464 8.583 1.00 0.00 H new ATOM 0 HA TYR A 548 -5.726 -3.704 6.731 1.00 0.00 H new ATOM 0 HB2 TYR A 548 -5.046 -3.868 9.658 1.00 0.00 H new ATOM 0 HB3 TYR A 548 -4.919 -2.264 8.963 1.00 0.00 H new ATOM 0 HD1 TYR A 548 -7.221 -4.987 9.844 1.00 0.00 H new ATOM 0 HD2 TYR A 548 -6.910 -1.079 8.175 1.00 0.00 H new ATOM 0 HE1 TYR A 548 -9.722 -4.675 10.087 1.00 0.00 H new ATOM 0 HE2 TYR A 548 -9.413 -0.783 8.420 1.00 0.00 H new ATOM 0 HH TYR A 548 -11.263 -1.669 9.063 1.00 0.00 H new ATOM 295 N ILE A 549 -3.853 -2.118 6.262 1.00 0.00 N ATOM 296 CA ILE A 549 -2.713 -1.382 5.745 1.00 0.00 C ATOM 297 C ILE A 549 -2.755 0.053 6.275 1.00 0.00 C ATOM 298 O ILE A 549 -3.829 0.639 6.405 1.00 0.00 O ATOM 299 CB ILE A 549 -2.664 -1.473 4.218 1.00 0.00 C ATOM 300 CG1 ILE A 549 -1.891 -0.294 3.624 1.00 0.00 C ATOM 301 CG2 ILE A 549 -4.071 -1.590 3.631 1.00 0.00 C ATOM 302 CD1 ILE A 549 -1.466 -0.588 2.183 1.00 0.00 C ATOM 0 H ILE A 549 -4.761 -1.756 5.972 1.00 0.00 H new ATOM 0 HA ILE A 549 -1.782 -1.825 6.097 1.00 0.00 H new ATOM 0 HB ILE A 549 -2.126 -2.381 3.946 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -2.511 0.602 3.649 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -1.010 -0.088 4.232 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -4.008 -1.653 2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -4.554 -2.487 4.019 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -4.656 -0.714 3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -0.918 0.266 1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -0.826 -1.470 2.165 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -2.351 -0.769 1.573 1.00 0.00 H new ATOM 314 N HIS A 550 -1.574 0.578 6.565 1.00 0.00 N ATOM 315 CA HIS A 550 -1.462 1.933 7.077 1.00 0.00 C ATOM 316 C HIS A 550 -0.443 2.714 6.245 1.00 0.00 C ATOM 317 O HIS A 550 0.736 2.365 6.214 1.00 0.00 O ATOM 318 CB HIS A 550 -1.127 1.924 8.570 1.00 0.00 C ATOM 319 CG HIS A 550 -1.355 3.248 9.259 1.00 0.00 C ATOM 320 ND1 HIS A 550 -1.791 4.377 8.587 1.00 0.00 N ATOM 321 CD2 HIS A 550 -1.203 3.611 10.565 1.00 0.00 C ATOM 322 CE1 HIS A 550 -1.893 5.369 9.460 1.00 0.00 C ATOM 323 NE2 HIS A 550 -1.528 4.893 10.685 1.00 0.00 N ATOM 0 H HIS A 550 -0.686 0.089 6.455 1.00 0.00 H new ATOM 0 HA HIS A 550 -2.422 2.441 6.983 1.00 0.00 H new ATOM 0 HB2 HIS A 550 -1.730 1.161 9.063 1.00 0.00 H new ATOM 0 HB3 HIS A 550 -0.083 1.636 8.696 1.00 0.00 H new ATOM 0 HD2 HIS A 550 -0.874 2.965 11.366 1.00 0.00 H new ATOM 0 HE1 HIS A 550 -2.210 6.378 9.240 1.00 0.00 H new ATOM 0 HE2 HIS A 550 -1.508 5.433 11.550 1.00 0.00 H new ATOM 331 N TYR A 551 -0.934 3.757 5.592 1.00 0.00 N ATOM 332 CA TYR A 551 -0.081 4.590 4.762 1.00 0.00 C ATOM 333 C TYR A 551 -0.314 6.074 5.052 1.00 0.00 C ATOM 334 O TYR A 551 -1.336 6.444 5.629 1.00 0.00 O ATOM 335 CB TYR A 551 -0.483 4.296 3.315 1.00 0.00 C ATOM 336 CG TYR A 551 -1.953 3.911 3.144 1.00 0.00 C ATOM 337 CD1 TYR A 551 -2.946 4.807 3.486 1.00 0.00 C ATOM 338 CD2 TYR A 551 -2.288 2.667 2.648 1.00 0.00 C ATOM 339 CE1 TYR A 551 -4.330 4.445 3.324 1.00 0.00 C ATOM 340 CE2 TYR A 551 -3.672 2.305 2.486 1.00 0.00 C ATOM 341 CZ TYR A 551 -4.625 3.211 2.833 1.00 0.00 C ATOM 342 OH TYR A 551 -5.932 2.869 2.680 1.00 0.00 O ATOM 0 H TYR A 551 -1.912 4.044 5.621 1.00 0.00 H new ATOM 0 HA TYR A 551 0.970 4.376 4.956 1.00 0.00 H new ATOM 0 HB2 TYR A 551 -0.275 5.175 2.705 1.00 0.00 H new ATOM 0 HB3 TYR A 551 0.141 3.488 2.932 1.00 0.00 H new ATOM 0 HD1 TYR A 551 -2.685 5.780 3.875 1.00 0.00 H new ATOM 0 HD2 TYR A 551 -1.512 1.965 2.381 1.00 0.00 H new ATOM 0 HE1 TYR A 551 -5.116 5.137 3.586 1.00 0.00 H new ATOM 0 HE2 TYR A 551 -3.947 1.336 2.098 1.00 0.00 H new ATOM 0 HH TYR A 551 -5.993 2.023 2.189 1.00 0.00 H new ATOM 352 N ARG A 552 0.650 6.884 4.640 1.00 0.00 N ATOM 353 CA ARG A 552 0.562 8.319 4.848 1.00 0.00 C ATOM 354 C ARG A 552 1.222 9.065 3.687 1.00 0.00 C ATOM 355 O ARG A 552 2.042 8.498 2.966 1.00 0.00 O ATOM 356 CB ARG A 552 1.239 8.728 6.158 1.00 0.00 C ATOM 357 CG ARG A 552 2.701 8.276 6.185 1.00 0.00 C ATOM 358 CD ARG A 552 3.570 9.278 6.947 1.00 0.00 C ATOM 359 NE ARG A 552 4.933 8.731 7.127 1.00 0.00 N ATOM 360 CZ ARG A 552 5.855 9.255 7.963 1.00 0.00 C ATOM 361 NH1 ARG A 552 5.567 10.346 8.703 1.00 0.00 N ATOM 362 NH2 ARG A 552 7.043 8.684 8.045 1.00 0.00 N ATOM 0 H ARG A 552 1.496 6.573 4.163 1.00 0.00 H new ATOM 0 HA ARG A 552 -0.494 8.582 4.900 1.00 0.00 H new ATOM 0 HB2 ARG A 552 1.187 9.810 6.276 1.00 0.00 H new ATOM 0 HB3 ARG A 552 0.704 8.290 7.000 1.00 0.00 H new ATOM 0 HG2 ARG A 552 2.774 7.295 6.655 1.00 0.00 H new ATOM 0 HG3 ARG A 552 3.071 8.169 5.165 1.00 0.00 H new ATOM 0 HD2 ARG A 552 3.617 10.220 6.401 1.00 0.00 H new ATOM 0 HD3 ARG A 552 3.125 9.494 7.918 1.00 0.00 H new ATOM 0 HE ARG A 552 5.192 7.906 6.586 1.00 0.00 H new ATOM 0 HH11 ARG A 552 4.647 10.781 8.633 1.00 0.00 H new ATOM 0 HH12 ARG A 552 6.269 10.735 9.332 1.00 0.00 H new ATOM 0 HH21 ARG A 552 7.253 7.860 7.482 1.00 0.00 H new ATOM 0 HH22 ARG A 552 7.751 9.067 8.672 1.00 0.00 H new ATOM 375 N PRO A 553 0.831 10.359 3.539 1.00 0.00 N ATOM 376 CA PRO A 553 1.375 11.189 2.478 1.00 0.00 C ATOM 377 C PRO A 553 2.806 11.623 2.801 1.00 0.00 C ATOM 378 O PRO A 553 3.122 11.928 3.950 1.00 0.00 O ATOM 379 CB PRO A 553 0.412 12.359 2.359 1.00 0.00 C ATOM 380 CG PRO A 553 -0.374 12.385 3.660 1.00 0.00 C ATOM 381 CD PRO A 553 -0.138 11.064 4.374 1.00 0.00 C ATOM 0 HA PRO A 553 1.455 10.659 1.529 1.00 0.00 H new ATOM 0 HB2 PRO A 553 0.951 13.295 2.209 1.00 0.00 H new ATOM 0 HB3 PRO A 553 -0.252 12.233 1.504 1.00 0.00 H new ATOM 0 HG2 PRO A 553 -0.052 13.219 4.284 1.00 0.00 H new ATOM 0 HG3 PRO A 553 -1.436 12.527 3.461 1.00 0.00 H new ATOM 0 HD2 PRO A 553 0.248 11.222 5.381 1.00 0.00 H new ATOM 0 HD3 PRO A 553 -1.063 10.496 4.472 1.00 0.00 H new ATOM 389 N ALA A 554 3.635 11.638 1.767 1.00 0.00 N ATOM 390 CA ALA A 554 5.025 12.030 1.927 1.00 0.00 C ATOM 391 C ALA A 554 5.258 12.489 3.368 1.00 0.00 C ATOM 392 O ALA A 554 5.229 13.685 3.654 1.00 0.00 O ATOM 393 CB ALA A 554 5.370 13.116 0.906 1.00 0.00 C ATOM 0 H ALA A 554 3.370 11.385 0.815 1.00 0.00 H new ATOM 0 HA ALA A 554 5.687 11.184 1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 554 6.413 13.410 1.026 1.00 0.00 H new ATOM 0 HB2 ALA A 554 5.215 12.730 -0.102 1.00 0.00 H new ATOM 0 HB3 ALA A 554 4.728 13.982 1.065 1.00 0.00 H new ATOM 399 N GLY A 555 5.485 11.514 4.236 1.00 0.00 N ATOM 400 CA GLY A 555 5.723 11.804 5.640 1.00 0.00 C ATOM 401 C GLY A 555 4.937 13.038 6.087 1.00 0.00 C ATOM 402 O GLY A 555 5.523 14.081 6.373 1.00 0.00 O ATOM 0 H GLY A 555 5.509 10.523 3.995 1.00 0.00 H new ATOM 0 HA2 GLY A 555 5.434 10.945 6.246 1.00 0.00 H new ATOM 0 HA3 GLY A 555 6.788 11.967 5.806 1.00 0.00 H new ATOM 406 N GLY A 556 3.623 12.879 6.132 1.00 0.00 N ATOM 407 CA GLY A 556 2.750 13.967 6.539 1.00 0.00 C ATOM 408 C GLY A 556 1.882 13.558 7.730 1.00 0.00 C ATOM 409 O GLY A 556 2.293 13.701 8.881 1.00 0.00 O ATOM 0 H GLY A 556 3.141 12.012 5.893 1.00 0.00 H new ATOM 0 HA2 GLY A 556 3.349 14.839 6.803 1.00 0.00 H new ATOM 0 HA3 GLY A 556 2.113 14.259 5.704 1.00 0.00 H new ATOM 413 N SER A 557 0.697 13.057 7.414 1.00 0.00 N ATOM 414 CA SER A 557 -0.233 12.626 8.444 1.00 0.00 C ATOM 415 C SER A 557 -0.465 11.117 8.341 1.00 0.00 C ATOM 416 O SER A 557 -0.603 10.580 7.243 1.00 0.00 O ATOM 417 CB SER A 557 -1.562 13.376 8.335 1.00 0.00 C ATOM 418 OG SER A 557 -1.565 14.301 7.251 1.00 0.00 O ATOM 0 H SER A 557 0.359 12.940 6.459 1.00 0.00 H new ATOM 0 HA SER A 557 0.203 12.855 9.416 1.00 0.00 H new ATOM 0 HB2 SER A 557 -2.373 12.660 8.203 1.00 0.00 H new ATOM 0 HB3 SER A 557 -1.756 13.908 9.266 1.00 0.00 H new ATOM 0 HG SER A 557 -2.431 14.758 7.214 1.00 0.00 H new ATOM 424 N TRP A 558 -0.501 10.476 9.500 1.00 0.00 N ATOM 425 CA TRP A 558 -0.714 9.040 9.554 1.00 0.00 C ATOM 426 C TRP A 558 -2.207 8.792 9.781 1.00 0.00 C ATOM 427 O TRP A 558 -2.702 8.941 10.897 1.00 0.00 O ATOM 428 CB TRP A 558 0.169 8.394 10.624 1.00 0.00 C ATOM 429 CG TRP A 558 1.607 8.136 10.171 1.00 0.00 C ATOM 430 CD1 TRP A 558 2.711 8.822 10.497 1.00 0.00 C ATOM 431 CD2 TRP A 558 2.055 7.084 9.289 1.00 0.00 C ATOM 432 NE1 TRP A 558 3.833 8.291 9.893 1.00 0.00 N ATOM 433 CE2 TRP A 558 3.421 7.201 9.136 1.00 0.00 C ATOM 434 CE3 TRP A 558 1.329 6.067 8.644 1.00 0.00 C ATOM 435 CZ2 TRP A 558 4.180 6.334 8.340 1.00 0.00 C ATOM 436 CZ3 TRP A 558 2.102 5.210 7.852 1.00 0.00 C ATOM 437 CH2 TRP A 558 3.478 5.314 7.687 1.00 0.00 C ATOM 0 H TRP A 558 -0.386 10.925 10.409 1.00 0.00 H new ATOM 0 HA TRP A 558 -0.422 8.571 8.614 1.00 0.00 H new ATOM 0 HB2 TRP A 558 0.186 9.038 11.504 1.00 0.00 H new ATOM 0 HB3 TRP A 558 -0.280 7.449 10.929 1.00 0.00 H new ATOM 0 HD1 TRP A 558 2.722 9.682 11.150 1.00 0.00 H new ATOM 0 HE1 TRP A 558 4.789 8.635 9.985 1.00 0.00 H new ATOM 0 HE3 TRP A 558 0.260 5.956 8.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 558 5.249 6.446 8.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 558 1.593 4.412 7.332 1.00 0.00 H new ATOM 0 HH2 TRP A 558 4.003 4.611 7.058 1.00 0.00 H new ATOM 448 N THR A 559 -2.883 8.417 8.705 1.00 0.00 N ATOM 449 CA THR A 559 -4.309 8.146 8.773 1.00 0.00 C ATOM 450 C THR A 559 -4.645 7.379 10.053 1.00 0.00 C ATOM 451 O THR A 559 -3.757 6.834 10.706 1.00 0.00 O ATOM 452 CB THR A 559 -4.711 7.405 7.496 1.00 0.00 C ATOM 453 OG1 THR A 559 -4.121 8.172 6.449 1.00 0.00 O ATOM 454 CG2 THR A 559 -6.213 7.490 7.219 1.00 0.00 C ATOM 0 H THR A 559 -2.469 8.294 7.781 1.00 0.00 H new ATOM 0 HA THR A 559 -4.886 9.070 8.824 1.00 0.00 H new ATOM 0 HB THR A 559 -4.415 6.359 7.575 1.00 0.00 H new ATOM 0 HG1 THR A 559 -4.330 7.761 5.584 1.00 0.00 H new ATOM 0 HG21 THR A 559 -6.445 6.948 6.302 1.00 0.00 H new ATOM 0 HG22 THR A 559 -6.762 7.048 8.051 1.00 0.00 H new ATOM 0 HG23 THR A 559 -6.504 8.534 7.107 1.00 0.00 H new ATOM 462 N ALA A 560 -5.931 7.360 10.373 1.00 0.00 N ATOM 463 CA ALA A 560 -6.396 6.668 11.562 1.00 0.00 C ATOM 464 C ALA A 560 -5.973 5.200 11.491 1.00 0.00 C ATOM 465 O ALA A 560 -6.494 4.439 10.678 1.00 0.00 O ATOM 466 CB ALA A 560 -7.912 6.833 11.689 1.00 0.00 C ATOM 0 H ALA A 560 -6.665 7.813 9.829 1.00 0.00 H new ATOM 0 HA ALA A 560 -5.945 7.098 12.457 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -8.261 6.314 12.581 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -8.158 7.892 11.766 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -8.399 6.411 10.810 1.00 0.00 H new ATOM 472 N ALA A 561 -5.032 4.845 12.354 1.00 0.00 N ATOM 473 CA ALA A 561 -4.533 3.482 12.400 1.00 0.00 C ATOM 474 C ALA A 561 -5.581 2.581 13.057 1.00 0.00 C ATOM 475 O ALA A 561 -6.129 2.923 14.105 1.00 0.00 O ATOM 476 CB ALA A 561 -3.193 3.452 13.137 1.00 0.00 C ATOM 0 H ALA A 561 -4.602 5.479 13.027 1.00 0.00 H new ATOM 0 HA ALA A 561 -4.358 3.104 11.393 1.00 0.00 H new ATOM 0 HB1 ALA A 561 -2.819 2.429 13.171 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -2.475 4.083 12.613 1.00 0.00 H new ATOM 0 HB3 ALA A 561 -3.328 3.823 14.153 1.00 0.00 H new ATOM 482 N PRO A 562 -5.835 1.419 12.399 1.00 0.00 N ATOM 483 CA PRO A 562 -5.143 1.091 11.164 1.00 0.00 C ATOM 484 C PRO A 562 -5.688 1.913 9.995 1.00 0.00 C ATOM 485 O PRO A 562 -6.884 2.195 9.934 1.00 0.00 O ATOM 486 CB PRO A 562 -5.345 -0.404 10.984 1.00 0.00 C ATOM 487 CG PRO A 562 -6.525 -0.774 11.868 1.00 0.00 C ATOM 488 CD PRO A 562 -6.785 0.389 12.811 1.00 0.00 C ATOM 0 HA PRO A 562 -4.081 1.334 11.200 1.00 0.00 H new ATOM 0 HB2 PRO A 562 -5.547 -0.648 9.941 1.00 0.00 H new ATOM 0 HB3 PRO A 562 -4.451 -0.957 11.274 1.00 0.00 H new ATOM 0 HG2 PRO A 562 -7.407 -0.978 11.261 1.00 0.00 H new ATOM 0 HG3 PRO A 562 -6.309 -1.682 12.432 1.00 0.00 H new ATOM 0 HD2 PRO A 562 -7.813 0.743 12.730 1.00 0.00 H new ATOM 0 HD3 PRO A 562 -6.629 0.099 13.850 1.00 0.00 H new ATOM 496 N GLY A 563 -4.786 2.275 9.095 1.00 0.00 N ATOM 497 CA GLY A 563 -5.161 3.059 7.931 1.00 0.00 C ATOM 498 C GLY A 563 -6.516 2.608 7.380 1.00 0.00 C ATOM 499 O GLY A 563 -7.561 3.005 7.891 1.00 0.00 O ATOM 0 H GLY A 563 -3.795 2.039 9.149 1.00 0.00 H new ATOM 0 HA2 GLY A 563 -5.206 4.115 8.198 1.00 0.00 H new ATOM 0 HA3 GLY A 563 -4.398 2.958 7.159 1.00 0.00 H new ATOM 503 N VAL A 564 -6.452 1.783 6.345 1.00 0.00 N ATOM 504 CA VAL A 564 -7.660 1.273 5.719 1.00 0.00 C ATOM 505 C VAL A 564 -7.492 -0.221 5.437 1.00 0.00 C ATOM 506 O VAL A 564 -6.370 -0.718 5.356 1.00 0.00 O ATOM 507 CB VAL A 564 -7.981 2.086 4.463 1.00 0.00 C ATOM 508 CG1 VAL A 564 -9.477 2.036 4.146 1.00 0.00 C ATOM 509 CG2 VAL A 564 -7.498 3.531 4.606 1.00 0.00 C ATOM 0 H VAL A 564 -5.583 1.455 5.924 1.00 0.00 H new ATOM 0 HA VAL A 564 -8.513 1.383 6.389 1.00 0.00 H new ATOM 0 HB VAL A 564 -7.446 1.636 3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 564 -9.679 2.622 3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 564 -9.779 1.002 3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 564 -10.040 2.449 4.983 1.00 0.00 H new ATOM 0 HG21 VAL A 564 -7.739 4.086 3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 564 -7.992 3.997 5.459 1.00 0.00 H new ATOM 0 HG23 VAL A 564 -6.419 3.540 4.762 1.00 0.00 H new ATOM 519 N LYS A 565 -8.624 -0.895 5.296 1.00 0.00 N ATOM 520 CA LYS A 565 -8.616 -2.323 5.026 1.00 0.00 C ATOM 521 C LYS A 565 -8.517 -2.551 3.516 1.00 0.00 C ATOM 522 O LYS A 565 -9.426 -2.191 2.769 1.00 0.00 O ATOM 523 CB LYS A 565 -9.828 -2.997 5.671 1.00 0.00 C ATOM 524 CG LYS A 565 -9.773 -4.515 5.487 1.00 0.00 C ATOM 525 CD LYS A 565 -10.576 -4.947 4.258 1.00 0.00 C ATOM 526 CE LYS A 565 -11.900 -5.595 4.668 1.00 0.00 C ATOM 527 NZ LYS A 565 -12.788 -5.748 3.494 1.00 0.00 N ATOM 0 H LYS A 565 -9.553 -0.479 5.364 1.00 0.00 H new ATOM 0 HA LYS A 565 -7.742 -2.791 5.478 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -9.860 -2.757 6.734 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -10.744 -2.606 5.228 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -8.736 -4.835 5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -10.168 -5.007 6.376 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -10.771 -4.082 3.624 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -9.991 -5.650 3.666 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -11.711 -6.570 5.118 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -12.391 -4.984 5.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -13.682 -6.189 3.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -12.983 -4.813 3.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -12.324 -6.349 2.784 1.00 0.00 H new ATOM 540 N MET A 566 -7.404 -3.146 3.111 1.00 0.00 N ATOM 541 CA MET A 566 -7.175 -3.426 1.704 1.00 0.00 C ATOM 542 C MET A 566 -8.495 -3.674 0.972 1.00 0.00 C ATOM 543 O MET A 566 -9.281 -4.531 1.373 1.00 0.00 O ATOM 544 CB MET A 566 -6.277 -4.658 1.568 1.00 0.00 C ATOM 545 CG MET A 566 -4.801 -4.257 1.513 1.00 0.00 C ATOM 546 SD MET A 566 -4.324 -3.917 -0.172 1.00 0.00 S ATOM 547 CE MET A 566 -2.823 -2.993 0.112 1.00 0.00 C ATOM 0 H MET A 566 -6.651 -3.442 3.733 1.00 0.00 H new ATOM 0 HA MET A 566 -6.689 -2.559 1.255 1.00 0.00 H new ATOM 0 HB2 MET A 566 -6.444 -5.329 2.410 1.00 0.00 H new ATOM 0 HB3 MET A 566 -6.542 -5.208 0.665 1.00 0.00 H new ATOM 0 HG2 MET A 566 -4.632 -3.376 2.132 1.00 0.00 H new ATOM 0 HG3 MET A 566 -4.183 -5.057 1.920 1.00 0.00 H new ATOM 0 HE1 MET A 566 -2.972 -1.956 -0.189 1.00 0.00 H new ATOM 0 HE2 MET A 566 -2.567 -3.031 1.171 1.00 0.00 H new ATOM 0 HE3 MET A 566 -2.012 -3.428 -0.473 1.00 0.00 H new ATOM 557 N GLN A 567 -8.699 -2.908 -0.090 1.00 0.00 N ATOM 558 CA GLN A 567 -9.911 -3.033 -0.882 1.00 0.00 C ATOM 559 C GLN A 567 -9.708 -4.054 -2.003 1.00 0.00 C ATOM 560 O GLN A 567 -8.939 -3.816 -2.933 1.00 0.00 O ATOM 561 CB GLN A 567 -10.340 -1.677 -1.446 1.00 0.00 C ATOM 562 CG GLN A 567 -11.278 -0.953 -0.478 1.00 0.00 C ATOM 563 CD GLN A 567 -12.334 -0.147 -1.237 1.00 0.00 C ATOM 564 OE1 GLN A 567 -12.167 0.211 -2.392 1.00 0.00 O ATOM 565 NE2 GLN A 567 -13.426 0.118 -0.527 1.00 0.00 N ATOM 0 H GLN A 567 -8.045 -2.198 -0.420 1.00 0.00 H new ATOM 0 HA GLN A 567 -10.711 -3.389 -0.233 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -9.460 -1.062 -1.634 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -10.840 -1.819 -2.404 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -11.767 -1.679 0.171 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -10.701 -0.288 0.165 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -13.501 -0.212 0.435 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -14.189 0.651 -0.945 1.00 0.00 H new ATOM 574 N ASP A 568 -10.412 -5.169 -1.879 1.00 0.00 N ATOM 575 CA ASP A 568 -10.320 -6.227 -2.870 1.00 0.00 C ATOM 576 C ASP A 568 -10.176 -5.606 -4.261 1.00 0.00 C ATOM 577 O ASP A 568 -10.749 -4.553 -4.536 1.00 0.00 O ATOM 578 CB ASP A 568 -11.580 -7.096 -2.869 1.00 0.00 C ATOM 579 CG ASP A 568 -12.621 -6.726 -3.927 1.00 0.00 C ATOM 580 OD1 ASP A 568 -13.075 -5.575 -4.001 1.00 0.00 O ATOM 581 OD2 ASP A 568 -12.971 -7.692 -4.708 1.00 0.00 O ATOM 0 H ASP A 568 -11.049 -5.363 -1.106 1.00 0.00 H new ATOM 0 HA ASP A 568 -9.456 -6.844 -2.623 1.00 0.00 H new ATOM 0 HB2 ASP A 568 -11.287 -8.135 -3.017 1.00 0.00 H new ATOM 0 HB3 ASP A 568 -12.046 -7.034 -1.885 1.00 0.00 H new ATOM 587 N ALA A 569 -9.408 -6.285 -5.101 1.00 0.00 N ATOM 588 CA ALA A 569 -9.182 -5.812 -6.456 1.00 0.00 C ATOM 589 C ALA A 569 -10.391 -6.167 -7.324 1.00 0.00 C ATOM 590 O ALA A 569 -11.526 -6.149 -6.850 1.00 0.00 O ATOM 591 CB ALA A 569 -7.881 -6.412 -6.995 1.00 0.00 C ATOM 0 H ALA A 569 -8.935 -7.158 -4.869 1.00 0.00 H new ATOM 0 HA ALA A 569 -9.073 -4.728 -6.471 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -7.711 -6.058 -8.012 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -7.049 -6.107 -6.360 1.00 0.00 H new ATOM 0 HB3 ALA A 569 -7.955 -7.499 -6.998 1.00 0.00 H new ATOM 597 N GLU A 570 -10.107 -6.481 -8.579 1.00 0.00 N ATOM 598 CA GLU A 570 -11.157 -6.839 -9.517 1.00 0.00 C ATOM 599 C GLU A 570 -10.806 -8.144 -10.234 1.00 0.00 C ATOM 600 O GLU A 570 -11.523 -8.574 -11.136 1.00 0.00 O ATOM 601 CB GLU A 570 -11.403 -5.711 -10.522 1.00 0.00 C ATOM 602 CG GLU A 570 -10.258 -5.617 -11.532 1.00 0.00 C ATOM 603 CD GLU A 570 -10.449 -4.422 -12.468 1.00 0.00 C ATOM 604 OE1 GLU A 570 -11.372 -4.425 -13.296 1.00 0.00 O ATOM 605 OE2 GLU A 570 -9.598 -3.466 -12.312 1.00 0.00 O ATOM 0 H GLU A 570 -9.164 -6.495 -8.968 1.00 0.00 H new ATOM 0 HA GLU A 570 -12.080 -6.991 -8.958 1.00 0.00 H new ATOM 0 HB2 GLU A 570 -12.342 -5.885 -11.047 1.00 0.00 H new ATOM 0 HB3 GLU A 570 -11.505 -4.763 -9.993 1.00 0.00 H new ATOM 0 HG2 GLU A 570 -9.309 -5.522 -11.004 1.00 0.00 H new ATOM 0 HG3 GLU A 570 -10.207 -6.536 -12.116 1.00 0.00 H new ATOM 613 N ILE A 571 -9.703 -8.739 -9.805 1.00 0.00 N ATOM 614 CA ILE A 571 -9.248 -9.987 -10.394 1.00 0.00 C ATOM 615 C ILE A 571 -9.981 -11.156 -9.733 1.00 0.00 C ATOM 616 O ILE A 571 -11.013 -11.606 -10.228 1.00 0.00 O ATOM 617 CB ILE A 571 -7.724 -10.093 -10.315 1.00 0.00 C ATOM 618 CG1 ILE A 571 -7.054 -8.981 -11.124 1.00 0.00 C ATOM 619 CG2 ILE A 571 -7.248 -11.482 -10.745 1.00 0.00 C ATOM 620 CD1 ILE A 571 -5.643 -8.698 -10.603 1.00 0.00 C ATOM 0 H ILE A 571 -9.111 -8.380 -9.056 1.00 0.00 H new ATOM 0 HA ILE A 571 -9.492 -10.017 -11.456 1.00 0.00 H new ATOM 0 HB ILE A 571 -7.426 -9.958 -9.275 1.00 0.00 H new ATOM 0 HG12 ILE A 571 -7.007 -9.268 -12.174 1.00 0.00 H new ATOM 0 HG13 ILE A 571 -7.655 -8.073 -11.068 1.00 0.00 H new ATOM 0 HG21 ILE A 571 -6.161 -11.531 -10.680 1.00 0.00 H new ATOM 0 HG22 ILE A 571 -7.685 -12.235 -10.090 1.00 0.00 H new ATOM 0 HG23 ILE A 571 -7.558 -11.671 -11.773 1.00 0.00 H new ATOM 0 HD11 ILE A 571 -5.189 -7.904 -11.195 1.00 0.00 H new ATOM 0 HD12 ILE A 571 -5.696 -8.388 -9.559 1.00 0.00 H new ATOM 0 HD13 ILE A 571 -5.038 -9.601 -10.683 1.00 0.00 H new ATOM 632 N SER A 572 -9.419 -11.614 -8.624 1.00 0.00 N ATOM 633 CA SER A 572 -10.006 -12.721 -7.889 1.00 0.00 C ATOM 634 C SER A 572 -9.054 -13.179 -6.782 1.00 0.00 C ATOM 635 O SER A 572 -8.155 -13.982 -7.025 1.00 0.00 O ATOM 636 CB SER A 572 -10.335 -13.888 -8.822 1.00 0.00 C ATOM 637 OG SER A 572 -11.715 -14.242 -8.769 1.00 0.00 O ATOM 0 H SER A 572 -8.563 -11.238 -8.217 1.00 0.00 H new ATOM 0 HA SER A 572 -10.937 -12.377 -7.439 1.00 0.00 H new ATOM 0 HB2 SER A 572 -10.068 -13.621 -9.845 1.00 0.00 H new ATOM 0 HB3 SER A 572 -9.728 -14.752 -8.550 1.00 0.00 H new ATOM 0 HG SER A 572 -11.885 -14.989 -9.380 1.00 0.00 H new ATOM 643 N GLY A 573 -9.285 -12.648 -5.591 1.00 0.00 N ATOM 644 CA GLY A 573 -8.459 -12.991 -4.446 1.00 0.00 C ATOM 645 C GLY A 573 -7.343 -11.964 -4.246 1.00 0.00 C ATOM 646 O GLY A 573 -6.453 -12.161 -3.421 1.00 0.00 O ATOM 0 H GLY A 573 -10.032 -11.983 -5.394 1.00 0.00 H new ATOM 0 HA2 GLY A 573 -9.077 -13.041 -3.549 1.00 0.00 H new ATOM 0 HA3 GLY A 573 -8.025 -13.981 -4.590 1.00 0.00 H new ATOM 650 N TYR A 574 -7.429 -10.888 -5.015 1.00 0.00 N ATOM 651 CA TYR A 574 -6.437 -9.829 -4.934 1.00 0.00 C ATOM 652 C TYR A 574 -6.993 -8.614 -4.188 1.00 0.00 C ATOM 653 O TYR A 574 -8.207 -8.459 -4.065 1.00 0.00 O ATOM 654 CB TYR A 574 -6.128 -9.429 -6.378 1.00 0.00 C ATOM 655 CG TYR A 574 -4.826 -10.021 -6.922 1.00 0.00 C ATOM 656 CD1 TYR A 574 -4.800 -11.319 -7.390 1.00 0.00 C ATOM 657 CD2 TYR A 574 -3.677 -9.256 -6.944 1.00 0.00 C ATOM 658 CE1 TYR A 574 -3.575 -11.876 -7.902 1.00 0.00 C ATOM 659 CE2 TYR A 574 -2.452 -9.813 -7.456 1.00 0.00 C ATOM 660 CZ TYR A 574 -2.461 -11.095 -7.910 1.00 0.00 C ATOM 661 OH TYR A 574 -1.304 -11.621 -8.393 1.00 0.00 O ATOM 0 H TYR A 574 -8.170 -10.727 -5.697 1.00 0.00 H new ATOM 0 HA TYR A 574 -5.552 -10.171 -4.397 1.00 0.00 H new ATOM 0 HB2 TYR A 574 -6.953 -9.745 -7.016 1.00 0.00 H new ATOM 0 HB3 TYR A 574 -6.075 -8.342 -6.440 1.00 0.00 H new ATOM 0 HD1 TYR A 574 -5.699 -11.917 -7.372 1.00 0.00 H new ATOM 0 HD2 TYR A 574 -3.697 -8.240 -6.577 1.00 0.00 H new ATOM 0 HE1 TYR A 574 -3.541 -12.890 -8.271 1.00 0.00 H new ATOM 0 HE2 TYR A 574 -1.546 -9.226 -7.479 1.00 0.00 H new ATOM 0 HH TYR A 574 -0.592 -10.950 -8.338 1.00 0.00 H new ATOM 671 N ALA A 575 -6.078 -7.783 -3.712 1.00 0.00 N ATOM 672 CA ALA A 575 -6.462 -6.586 -2.982 1.00 0.00 C ATOM 673 C ALA A 575 -5.892 -5.357 -3.691 1.00 0.00 C ATOM 674 O ALA A 575 -4.901 -5.456 -4.414 1.00 0.00 O ATOM 675 CB ALA A 575 -5.985 -6.697 -1.532 1.00 0.00 C ATOM 0 H ALA A 575 -5.072 -7.914 -3.817 1.00 0.00 H new ATOM 0 HA ALA A 575 -7.547 -6.481 -2.961 1.00 0.00 H new ATOM 0 HB1 ALA A 575 -6.273 -5.799 -0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 575 -6.442 -7.569 -1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 575 -4.900 -6.801 -1.513 1.00 0.00 H new ATOM 681 N LYS A 576 -6.541 -4.225 -3.460 1.00 0.00 N ATOM 682 CA LYS A 576 -6.111 -2.978 -4.068 1.00 0.00 C ATOM 683 C LYS A 576 -6.586 -1.805 -3.207 1.00 0.00 C ATOM 684 O LYS A 576 -7.657 -1.867 -2.605 1.00 0.00 O ATOM 685 CB LYS A 576 -6.579 -2.901 -5.523 1.00 0.00 C ATOM 686 CG LYS A 576 -8.004 -2.352 -5.612 1.00 0.00 C ATOM 687 CD LYS A 576 -8.503 -2.355 -7.059 1.00 0.00 C ATOM 688 CE LYS A 576 -8.410 -0.957 -7.673 1.00 0.00 C ATOM 689 NZ LYS A 576 -9.258 -0.864 -8.882 1.00 0.00 N ATOM 0 H LYS A 576 -7.362 -4.146 -2.860 1.00 0.00 H new ATOM 0 HA LYS A 576 -5.023 -2.928 -4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 576 -5.903 -2.263 -6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 576 -6.538 -3.892 -5.975 1.00 0.00 H new ATOM 0 HG2 LYS A 576 -8.669 -2.954 -4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 576 -8.032 -1.337 -5.216 1.00 0.00 H new ATOM 0 HD2 LYS A 576 -7.913 -3.056 -7.650 1.00 0.00 H new ATOM 0 HD3 LYS A 576 -9.536 -2.702 -7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 576 -8.724 -0.211 -6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 576 -7.374 -0.735 -7.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 576 -9.183 0.091 -9.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 576 -8.940 -1.563 -9.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 576 -10.248 -1.055 -8.627 1.00 0.00 H new ATOM 702 N ILE A 577 -5.766 -0.765 -3.176 1.00 0.00 N ATOM 703 CA ILE A 577 -6.088 0.419 -2.399 1.00 0.00 C ATOM 704 C ILE A 577 -5.651 1.666 -3.171 1.00 0.00 C ATOM 705 O ILE A 577 -4.668 1.630 -3.910 1.00 0.00 O ATOM 706 CB ILE A 577 -5.484 0.321 -0.997 1.00 0.00 C ATOM 707 CG1 ILE A 577 -4.288 1.264 -0.848 1.00 0.00 C ATOM 708 CG2 ILE A 577 -5.119 -1.125 -0.657 1.00 0.00 C ATOM 709 CD1 ILE A 577 -3.235 0.989 -1.923 1.00 0.00 C ATOM 0 H ILE A 577 -4.879 -0.718 -3.677 1.00 0.00 H new ATOM 0 HA ILE A 577 -7.165 0.496 -2.252 1.00 0.00 H new ATOM 0 HB ILE A 577 -6.238 0.641 -0.277 1.00 0.00 H new ATOM 0 HG12 ILE A 577 -4.625 2.298 -0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 577 -3.845 1.141 0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 577 -4.692 -1.166 0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 577 -6.015 -1.745 -0.695 1.00 0.00 H new ATOM 0 HG23 ILE A 577 -4.390 -1.495 -1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 577 -2.396 1.673 -1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 577 -2.883 -0.039 -1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 577 -3.675 1.136 -2.909 1.00 0.00 H new ATOM 721 N THR A 578 -6.404 2.739 -2.975 1.00 0.00 N ATOM 722 CA THR A 578 -6.106 3.994 -3.644 1.00 0.00 C ATOM 723 C THR A 578 -5.963 5.122 -2.621 1.00 0.00 C ATOM 724 O THR A 578 -6.805 5.275 -1.738 1.00 0.00 O ATOM 725 CB THR A 578 -7.202 4.249 -4.680 1.00 0.00 C ATOM 726 OG1 THR A 578 -7.388 2.983 -5.307 1.00 0.00 O ATOM 727 CG2 THR A 578 -6.735 5.162 -5.815 1.00 0.00 C ATOM 0 H THR A 578 -7.219 2.765 -2.363 1.00 0.00 H new ATOM 0 HA THR A 578 -5.150 3.947 -4.166 1.00 0.00 H new ATOM 0 HB THR A 578 -8.068 4.694 -4.190 1.00 0.00 H new ATOM 0 HG1 THR A 578 -8.084 3.057 -5.993 1.00 0.00 H new ATOM 0 HG21 THR A 578 -7.551 5.310 -6.522 1.00 0.00 H new ATOM 0 HG22 THR A 578 -6.431 6.125 -5.405 1.00 0.00 H new ATOM 0 HG23 THR A 578 -5.890 4.702 -6.327 1.00 0.00 H new ATOM 735 N VAL A 579 -4.889 5.884 -2.774 1.00 0.00 N ATOM 736 CA VAL A 579 -4.625 6.994 -1.874 1.00 0.00 C ATOM 737 C VAL A 579 -4.345 8.254 -2.695 1.00 0.00 C ATOM 738 O VAL A 579 -3.507 8.239 -3.596 1.00 0.00 O ATOM 739 CB VAL A 579 -3.482 6.635 -0.922 1.00 0.00 C ATOM 740 CG1 VAL A 579 -3.474 7.559 0.297 1.00 0.00 C ATOM 741 CG2 VAL A 579 -3.564 5.167 -0.496 1.00 0.00 C ATOM 0 H VAL A 579 -4.192 5.754 -3.507 1.00 0.00 H new ATOM 0 HA VAL A 579 -5.497 7.198 -1.252 1.00 0.00 H new ATOM 0 HB VAL A 579 -2.543 6.777 -1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 579 -2.652 7.283 0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 579 -3.346 8.591 -0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 579 -4.418 7.463 0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 579 -2.740 4.938 0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 579 -4.511 4.988 0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 579 -3.499 4.528 -1.377 1.00 0.00 H new ATOM 751 N ASP A 580 -5.062 9.315 -2.355 1.00 0.00 N ATOM 752 CA ASP A 580 -4.901 10.581 -3.049 1.00 0.00 C ATOM 753 C ASP A 580 -3.668 11.304 -2.503 1.00 0.00 C ATOM 754 O ASP A 580 -3.314 11.141 -1.336 1.00 0.00 O ATOM 755 CB ASP A 580 -6.115 11.487 -2.831 1.00 0.00 C ATOM 756 CG ASP A 580 -5.971 12.906 -3.385 1.00 0.00 C ATOM 757 OD1 ASP A 580 -5.482 13.813 -2.696 1.00 0.00 O ATOM 758 OD2 ASP A 580 -6.392 13.064 -4.594 1.00 0.00 O ATOM 0 H ASP A 580 -5.756 9.324 -1.608 1.00 0.00 H new ATOM 0 HA ASP A 580 -4.794 10.371 -4.113 1.00 0.00 H new ATOM 0 HB2 ASP A 580 -6.985 11.020 -3.292 1.00 0.00 H new ATOM 0 HB3 ASP A 580 -6.315 11.549 -1.761 1.00 0.00 H new ATOM 764 N ILE A 581 -3.048 12.087 -3.373 1.00 0.00 N ATOM 765 CA ILE A 581 -1.862 12.836 -2.993 1.00 0.00 C ATOM 766 C ILE A 581 -1.797 14.130 -3.808 1.00 0.00 C ATOM 767 O ILE A 581 -0.817 14.378 -4.508 1.00 0.00 O ATOM 768 CB ILE A 581 -0.612 11.963 -3.126 1.00 0.00 C ATOM 769 CG1 ILE A 581 -0.403 11.521 -4.576 1.00 0.00 C ATOM 770 CG2 ILE A 581 -0.670 10.773 -2.166 1.00 0.00 C ATOM 771 CD1 ILE A 581 0.894 10.724 -4.724 1.00 0.00 C ATOM 0 H ILE A 581 -3.344 12.219 -4.340 1.00 0.00 H new ATOM 0 HA ILE A 581 -1.913 13.123 -1.943 1.00 0.00 H new ATOM 0 HB ILE A 581 0.254 12.562 -2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 581 -1.247 10.912 -4.900 1.00 0.00 H new ATOM 0 HG13 ILE A 581 -0.373 12.396 -5.226 1.00 0.00 H new ATOM 0 HG21 ILE A 581 0.230 10.169 -2.281 1.00 0.00 H new ATOM 0 HG22 ILE A 581 -0.735 11.136 -1.140 1.00 0.00 H new ATOM 0 HG23 ILE A 581 -1.546 10.165 -2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 581 1.019 10.422 -5.764 1.00 0.00 H new ATOM 0 HD12 ILE A 581 1.738 11.344 -4.422 1.00 0.00 H new ATOM 0 HD13 ILE A 581 0.851 9.837 -4.091 1.00 0.00 H new ATOM 783 N GLY A 582 -2.855 14.919 -3.689 1.00 0.00 N ATOM 784 CA GLY A 582 -2.931 16.181 -4.405 1.00 0.00 C ATOM 785 C GLY A 582 -1.910 17.183 -3.861 1.00 0.00 C ATOM 786 O GLY A 582 -2.276 18.274 -3.429 1.00 0.00 O ATOM 0 H GLY A 582 -3.666 14.709 -3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -2.750 16.012 -5.467 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -3.935 16.595 -4.315 1.00 0.00 H new ATOM 790 N SER A 583 -0.650 16.775 -3.901 1.00 0.00 N ATOM 791 CA SER A 583 0.426 17.624 -3.417 1.00 0.00 C ATOM 792 C SER A 583 1.655 16.774 -3.088 1.00 0.00 C ATOM 793 O SER A 583 2.781 17.267 -3.116 1.00 0.00 O ATOM 794 CB SER A 583 -0.012 18.422 -2.188 1.00 0.00 C ATOM 795 OG SER A 583 -0.996 17.729 -1.424 1.00 0.00 O ATOM 0 H SER A 583 -0.350 15.869 -4.261 1.00 0.00 H new ATOM 0 HA SER A 583 0.682 18.333 -4.204 1.00 0.00 H new ATOM 0 HB2 SER A 583 0.856 18.627 -1.561 1.00 0.00 H new ATOM 0 HB3 SER A 583 -0.411 19.385 -2.505 1.00 0.00 H new ATOM 0 HG SER A 583 -1.889 18.032 -1.689 1.00 0.00 H new ATOM 801 N ALA A 584 1.397 15.510 -2.784 1.00 0.00 N ATOM 802 CA ALA A 584 2.468 14.587 -2.450 1.00 0.00 C ATOM 803 C ALA A 584 2.853 13.787 -3.696 1.00 0.00 C ATOM 804 O ALA A 584 1.989 13.393 -4.478 1.00 0.00 O ATOM 805 CB ALA A 584 2.025 13.687 -1.295 1.00 0.00 C ATOM 0 H ALA A 584 0.462 15.104 -2.762 1.00 0.00 H new ATOM 0 HA ALA A 584 3.353 15.130 -2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 584 2.829 12.994 -1.044 1.00 0.00 H new ATOM 0 HB2 ALA A 584 1.790 14.300 -0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 584 1.140 13.124 -1.591 1.00 0.00 H new ATOM 811 N SER A 585 4.152 13.572 -3.844 1.00 0.00 N ATOM 812 CA SER A 585 4.663 12.826 -4.982 1.00 0.00 C ATOM 813 C SER A 585 5.099 11.429 -4.538 1.00 0.00 C ATOM 814 O SER A 585 5.491 10.606 -5.365 1.00 0.00 O ATOM 815 CB SER A 585 5.830 13.562 -5.643 1.00 0.00 C ATOM 816 OG SER A 585 5.873 13.340 -7.050 1.00 0.00 O ATOM 0 H SER A 585 4.866 13.901 -3.195 1.00 0.00 H new ATOM 0 HA SER A 585 3.864 12.733 -5.718 1.00 0.00 H new ATOM 0 HB2 SER A 585 5.742 14.631 -5.447 1.00 0.00 H new ATOM 0 HB3 SER A 585 6.767 13.232 -5.195 1.00 0.00 H new ATOM 0 HG SER A 585 6.631 13.828 -7.435 1.00 0.00 H new ATOM 822 N GLN A 586 5.018 11.203 -3.235 1.00 0.00 N ATOM 823 CA GLN A 586 5.399 9.919 -2.673 1.00 0.00 C ATOM 824 C GLN A 586 4.608 9.644 -1.392 1.00 0.00 C ATOM 825 O GLN A 586 4.412 10.542 -0.574 1.00 0.00 O ATOM 826 CB GLN A 586 6.905 9.862 -2.409 1.00 0.00 C ATOM 827 CG GLN A 586 7.675 9.536 -3.691 1.00 0.00 C ATOM 828 CD GLN A 586 9.175 9.415 -3.414 1.00 0.00 C ATOM 829 OE1 GLN A 586 9.859 10.382 -3.123 1.00 0.00 O ATOM 830 NE2 GLN A 586 9.646 8.176 -3.521 1.00 0.00 N ATOM 0 H GLN A 586 4.694 11.888 -2.552 1.00 0.00 H new ATOM 0 HA GLN A 586 5.160 9.142 -3.399 1.00 0.00 H new ATOM 0 HB2 GLN A 586 7.244 10.818 -2.010 1.00 0.00 H new ATOM 0 HB3 GLN A 586 7.117 9.107 -1.652 1.00 0.00 H new ATOM 0 HG2 GLN A 586 7.304 8.603 -4.115 1.00 0.00 H new ATOM 0 HG3 GLN A 586 7.500 10.315 -4.433 1.00 0.00 H new ATOM 0 HE21 GLN A 586 9.018 7.411 -3.768 1.00 0.00 H new ATOM 0 HE22 GLN A 586 10.635 7.990 -3.356 1.00 0.00 H new ATOM 839 N LEU A 587 4.174 8.400 -1.259 1.00 0.00 N ATOM 840 CA LEU A 587 3.408 7.996 -0.092 1.00 0.00 C ATOM 841 C LEU A 587 3.933 6.652 0.417 1.00 0.00 C ATOM 842 O LEU A 587 4.291 5.781 -0.375 1.00 0.00 O ATOM 843 CB LEU A 587 1.911 7.990 -0.409 1.00 0.00 C ATOM 844 CG LEU A 587 1.042 7.087 0.468 1.00 0.00 C ATOM 845 CD1 LEU A 587 -0.120 7.871 1.081 1.00 0.00 C ATOM 846 CD2 LEU A 587 0.560 5.863 -0.313 1.00 0.00 C ATOM 0 H LEU A 587 4.338 7.658 -1.940 1.00 0.00 H new ATOM 0 HA LEU A 587 3.537 8.716 0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 587 1.538 9.011 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 587 1.781 7.687 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 587 1.654 6.721 1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -0.722 7.205 1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 587 0.272 8.682 1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 587 -0.739 8.285 0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 587 -0.056 5.238 0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 587 -0.029 6.188 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 587 1.420 5.290 -0.659 1.00 0.00 H new ATOM 858 N GLU A 588 3.963 6.525 1.736 1.00 0.00 N ATOM 859 CA GLU A 588 4.439 5.303 2.360 1.00 0.00 C ATOM 860 C GLU A 588 3.262 4.495 2.910 1.00 0.00 C ATOM 861 O GLU A 588 2.299 5.064 3.423 1.00 0.00 O ATOM 862 CB GLU A 588 5.456 5.609 3.461 1.00 0.00 C ATOM 863 CG GLU A 588 4.872 6.574 4.494 1.00 0.00 C ATOM 864 CD GLU A 588 5.226 8.023 4.153 1.00 0.00 C ATOM 865 OE1 GLU A 588 6.016 8.654 4.872 1.00 0.00 O ATOM 866 OE2 GLU A 588 4.651 8.491 3.098 1.00 0.00 O ATOM 0 H GLU A 588 3.665 7.249 2.390 1.00 0.00 H new ATOM 0 HA GLU A 588 4.943 4.704 1.602 1.00 0.00 H new ATOM 0 HB2 GLU A 588 5.756 4.683 3.952 1.00 0.00 H new ATOM 0 HB3 GLU A 588 6.354 6.042 3.021 1.00 0.00 H new ATOM 0 HG2 GLU A 588 3.789 6.460 4.532 1.00 0.00 H new ATOM 0 HG3 GLU A 588 5.253 6.326 5.485 1.00 0.00 H new ATOM 874 N ALA A 589 3.377 3.181 2.785 1.00 0.00 N ATOM 875 CA ALA A 589 2.334 2.289 3.263 1.00 0.00 C ATOM 876 C ALA A 589 2.974 1.124 4.021 1.00 0.00 C ATOM 877 O ALA A 589 4.070 0.682 3.678 1.00 0.00 O ATOM 878 CB ALA A 589 1.483 1.819 2.082 1.00 0.00 C ATOM 0 H ALA A 589 4.177 2.712 2.359 1.00 0.00 H new ATOM 0 HA ALA A 589 1.672 2.809 3.955 1.00 0.00 H new ATOM 0 HB1 ALA A 589 0.701 1.150 2.441 1.00 0.00 H new ATOM 0 HB2 ALA A 589 1.028 2.682 1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 589 2.113 1.290 1.367 1.00 0.00 H new ATOM 884 N ALA A 590 2.262 0.659 5.037 1.00 0.00 N ATOM 885 CA ALA A 590 2.746 -0.446 5.846 1.00 0.00 C ATOM 886 C ALA A 590 1.686 -1.549 5.883 1.00 0.00 C ATOM 887 O ALA A 590 0.527 -1.311 5.548 1.00 0.00 O ATOM 888 CB ALA A 590 3.107 0.063 7.243 1.00 0.00 C ATOM 0 H ALA A 590 1.353 1.028 5.318 1.00 0.00 H new ATOM 0 HA ALA A 590 3.650 -0.872 5.411 1.00 0.00 H new ATOM 0 HB1 ALA A 590 3.470 -0.766 7.850 1.00 0.00 H new ATOM 0 HB2 ALA A 590 3.885 0.822 7.164 1.00 0.00 H new ATOM 0 HB3 ALA A 590 2.224 0.496 7.712 1.00 0.00 H new ATOM 894 N PHE A 591 2.121 -2.731 6.294 1.00 0.00 N ATOM 895 CA PHE A 591 1.224 -3.870 6.380 1.00 0.00 C ATOM 896 C PHE A 591 1.246 -4.482 7.782 1.00 0.00 C ATOM 897 O PHE A 591 2.312 -4.806 8.305 1.00 0.00 O ATOM 898 CB PHE A 591 1.724 -4.910 5.374 1.00 0.00 C ATOM 899 CG PHE A 591 1.023 -4.849 4.016 1.00 0.00 C ATOM 900 CD1 PHE A 591 -0.322 -4.660 3.953 1.00 0.00 C ATOM 901 CD2 PHE A 591 1.745 -4.984 2.871 1.00 0.00 C ATOM 902 CE1 PHE A 591 -0.973 -4.603 2.692 1.00 0.00 C ATOM 903 CE2 PHE A 591 1.094 -4.928 1.610 1.00 0.00 C ATOM 904 CZ PHE A 591 -0.251 -4.739 1.547 1.00 0.00 C ATOM 0 H PHE A 591 3.083 -2.924 6.571 1.00 0.00 H new ATOM 0 HA PHE A 591 0.202 -3.555 6.167 1.00 0.00 H new ATOM 0 HB2 PHE A 591 2.795 -4.771 5.225 1.00 0.00 H new ATOM 0 HB3 PHE A 591 1.588 -5.905 5.797 1.00 0.00 H new ATOM 0 HD1 PHE A 591 -0.895 -4.553 4.862 1.00 0.00 H new ATOM 0 HD2 PHE A 591 2.813 -5.134 2.921 1.00 0.00 H new ATOM 0 HE1 PHE A 591 -2.041 -4.452 2.642 1.00 0.00 H new ATOM 0 HE2 PHE A 591 1.667 -5.036 0.701 1.00 0.00 H new ATOM 0 HZ PHE A 591 -0.746 -4.697 0.588 1.00 0.00 H new ATOM 914 N ASN A 592 0.058 -4.622 8.351 1.00 0.00 N ATOM 915 CA ASN A 592 -0.072 -5.190 9.682 1.00 0.00 C ATOM 916 C ASN A 592 -1.346 -6.034 9.750 1.00 0.00 C ATOM 917 O ASN A 592 -2.400 -5.614 9.273 1.00 0.00 O ATOM 918 CB ASN A 592 -0.176 -4.091 10.741 1.00 0.00 C ATOM 919 CG ASN A 592 -1.495 -3.326 10.610 1.00 0.00 C ATOM 920 OD1 ASN A 592 -2.487 -3.633 11.251 1.00 0.00 O ATOM 921 ND2 ASN A 592 -1.451 -2.315 9.747 1.00 0.00 N ATOM 0 H ASN A 592 -0.823 -4.352 7.915 1.00 0.00 H new ATOM 0 HA ASN A 592 0.812 -5.797 9.877 1.00 0.00 H new ATOM 0 HB2 ASN A 592 -0.104 -4.531 11.735 1.00 0.00 H new ATOM 0 HB3 ASN A 592 0.661 -3.400 10.637 1.00 0.00 H new ATOM 0 HD21 ASN A 592 -2.280 -1.743 9.589 1.00 0.00 H new ATOM 0 HD22 ASN A 592 -0.588 -2.112 9.243 1.00 0.00 H new ATOM 928 N ASP A 593 -1.209 -7.209 10.346 1.00 0.00 N ATOM 929 CA ASP A 593 -2.336 -8.115 10.482 1.00 0.00 C ATOM 930 C ASP A 593 -3.345 -7.524 11.469 1.00 0.00 C ATOM 931 O ASP A 593 -4.495 -7.957 11.522 1.00 0.00 O ATOM 932 CB ASP A 593 -1.887 -9.475 11.023 1.00 0.00 C ATOM 933 CG ASP A 593 -0.522 -9.950 10.524 1.00 0.00 C ATOM 934 OD1 ASP A 593 0.240 -9.182 9.917 1.00 0.00 O ATOM 935 OD2 ASP A 593 -0.246 -11.184 10.783 1.00 0.00 O ATOM 0 H ASP A 593 -0.334 -7.555 10.740 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.782 -8.248 9.496 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -1.862 -9.426 12.112 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -2.635 -10.221 10.754 1.00 0.00 H new ATOM 941 N GLY A 594 -2.877 -6.542 12.226 1.00 0.00 N ATOM 942 CA GLY A 594 -3.724 -5.886 13.208 1.00 0.00 C ATOM 943 C GLY A 594 -3.598 -6.558 14.577 1.00 0.00 C ATOM 944 O GLY A 594 -4.441 -6.359 15.450 1.00 0.00 O ATOM 0 H GLY A 594 -1.923 -6.185 12.179 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -3.447 -4.835 13.288 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -4.762 -5.918 12.877 1.00 0.00 H new ATOM 948 N ASN A 595 -2.538 -7.341 14.721 1.00 0.00 N ATOM 949 CA ASN A 595 -2.291 -8.043 15.969 1.00 0.00 C ATOM 950 C ASN A 595 -0.791 -8.032 16.267 1.00 0.00 C ATOM 951 O ASN A 595 -0.140 -9.075 16.234 1.00 0.00 O ATOM 952 CB ASN A 595 -2.744 -9.502 15.879 1.00 0.00 C ATOM 953 CG ASN A 595 -4.159 -9.672 16.437 1.00 0.00 C ATOM 954 OD1 ASN A 595 -4.694 -8.811 17.116 1.00 0.00 O ATOM 955 ND2 ASN A 595 -4.732 -10.828 16.114 1.00 0.00 N ATOM 0 H ASN A 595 -1.841 -7.504 13.994 1.00 0.00 H new ATOM 0 HA ASN A 595 -2.852 -7.539 16.756 1.00 0.00 H new ATOM 0 HB2 ASN A 595 -2.717 -9.832 14.840 1.00 0.00 H new ATOM 0 HB3 ASN A 595 -2.052 -10.136 16.433 1.00 0.00 H new ATOM 0 HD21 ASN A 595 -5.676 -11.037 16.438 1.00 0.00 H new ATOM 0 HD22 ASN A 595 -4.227 -11.505 15.542 1.00 0.00 H new ATOM 962 N ASN A 596 -0.285 -6.841 16.551 1.00 0.00 N ATOM 963 CA ASN A 596 1.127 -6.680 16.855 1.00 0.00 C ATOM 964 C ASN A 596 1.958 -7.398 15.789 1.00 0.00 C ATOM 965 O ASN A 596 3.085 -7.815 16.053 1.00 0.00 O ATOM 966 CB ASN A 596 1.471 -7.291 18.214 1.00 0.00 C ATOM 967 CG ASN A 596 0.781 -6.531 19.348 1.00 0.00 C ATOM 968 OD1 ASN A 596 -0.428 -6.363 19.373 1.00 0.00 O ATOM 969 ND2 ASN A 596 1.613 -6.081 20.283 1.00 0.00 N ATOM 0 H ASN A 596 -0.828 -5.978 16.577 1.00 0.00 H new ATOM 0 HA ASN A 596 1.349 -5.613 16.874 1.00 0.00 H new ATOM 0 HB2 ASN A 596 1.165 -8.337 18.234 1.00 0.00 H new ATOM 0 HB3 ASN A 596 2.551 -7.271 18.363 1.00 0.00 H new ATOM 0 HD21 ASN A 596 1.250 -5.561 21.081 1.00 0.00 H new ATOM 0 HD22 ASN A 596 2.615 -6.256 20.202 1.00 0.00 H new ATOM 976 N ASN A 597 1.370 -7.519 14.608 1.00 0.00 N ATOM 977 CA ASN A 597 2.042 -8.179 13.502 1.00 0.00 C ATOM 978 C ASN A 597 2.273 -7.170 12.376 1.00 0.00 C ATOM 979 O ASN A 597 1.556 -7.174 11.376 1.00 0.00 O ATOM 980 CB ASN A 597 1.193 -9.323 12.945 1.00 0.00 C ATOM 981 CG ASN A 597 1.299 -10.567 13.830 1.00 0.00 C ATOM 982 OD1 ASN A 597 2.374 -10.992 14.220 1.00 0.00 O ATOM 983 ND2 ASN A 597 0.127 -11.124 14.123 1.00 0.00 N ATOM 0 H ASN A 597 0.436 -7.171 14.393 1.00 0.00 H new ATOM 0 HA ASN A 597 2.987 -8.578 13.872 1.00 0.00 H new ATOM 0 HB2 ASN A 597 0.152 -9.008 12.878 1.00 0.00 H new ATOM 0 HB3 ASN A 597 1.519 -9.563 11.933 1.00 0.00 H new ATOM 0 HD21 ASN A 597 0.091 -11.959 14.708 1.00 0.00 H new ATOM 0 HD22 ASN A 597 -0.736 -10.716 13.763 1.00 0.00 H new ATOM 990 N TRP A 598 3.277 -6.328 12.575 1.00 0.00 N ATOM 991 CA TRP A 598 3.612 -5.315 11.589 1.00 0.00 C ATOM 992 C TRP A 598 4.681 -5.894 10.660 1.00 0.00 C ATOM 993 O TRP A 598 5.448 -6.769 11.060 1.00 0.00 O ATOM 994 CB TRP A 598 4.049 -4.014 12.266 1.00 0.00 C ATOM 995 CG TRP A 598 2.907 -3.249 12.938 1.00 0.00 C ATOM 996 CD1 TRP A 598 2.306 -3.522 14.104 1.00 0.00 C ATOM 997 CD2 TRP A 598 2.250 -2.067 12.435 1.00 0.00 C ATOM 998 NE1 TRP A 598 1.313 -2.606 14.388 1.00 0.00 N ATOM 999 CE2 TRP A 598 1.279 -1.693 13.340 1.00 0.00 C ATOM 1000 CE3 TRP A 598 2.470 -1.338 11.253 1.00 0.00 C ATOM 1001 CZ2 TRP A 598 0.450 -0.579 13.159 1.00 0.00 C ATOM 1002 CZ3 TRP A 598 1.634 -0.227 11.086 1.00 0.00 C ATOM 1003 CH2 TRP A 598 0.651 0.163 11.989 1.00 0.00 C ATOM 0 H TRP A 598 3.869 -6.327 13.405 1.00 0.00 H new ATOM 0 HA TRP A 598 2.738 -5.053 10.993 1.00 0.00 H new ATOM 0 HB2 TRP A 598 4.809 -4.243 13.013 1.00 0.00 H new ATOM 0 HB3 TRP A 598 4.517 -3.369 11.523 1.00 0.00 H new ATOM 0 HD1 TRP A 598 2.566 -4.354 14.742 1.00 0.00 H new ATOM 0 HE1 TRP A 598 0.715 -2.600 15.214 1.00 0.00 H new ATOM 0 HE3 TRP A 598 3.224 -1.613 10.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 -0.304 -0.307 13.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 1.762 0.368 10.194 1.00 0.00 H new ATOM 0 HH2 TRP A 598 0.045 1.034 11.789 1.00 0.00 H new ATOM 1014 N ASP A 599 4.698 -5.383 9.438 1.00 0.00 N ATOM 1015 CA ASP A 599 5.660 -5.839 8.449 1.00 0.00 C ATOM 1016 C ASP A 599 6.169 -4.638 7.648 1.00 0.00 C ATOM 1017 O ASP A 599 5.914 -4.535 6.450 1.00 0.00 O ATOM 1018 CB ASP A 599 5.019 -6.823 7.470 1.00 0.00 C ATOM 1019 CG ASP A 599 5.983 -7.834 6.846 1.00 0.00 C ATOM 1020 OD1 ASP A 599 7.189 -7.829 7.134 1.00 0.00 O ATOM 1021 OD2 ASP A 599 5.443 -8.665 6.019 1.00 0.00 O ATOM 0 H ASP A 599 4.061 -4.657 9.110 1.00 0.00 H new ATOM 0 HA ASP A 599 6.476 -6.335 8.975 1.00 0.00 H new ATOM 0 HB2 ASP A 599 4.231 -7.368 7.990 1.00 0.00 H new ATOM 0 HB3 ASP A 599 4.541 -6.257 6.670 1.00 0.00 H new ATOM 1027 N SER A 600 6.878 -3.761 8.343 1.00 0.00 N ATOM 1028 CA SER A 600 7.425 -2.572 7.712 1.00 0.00 C ATOM 1029 C SER A 600 8.223 -2.962 6.466 1.00 0.00 C ATOM 1030 O SER A 600 7.654 -3.141 5.391 1.00 0.00 O ATOM 1031 CB SER A 600 8.309 -1.789 8.685 1.00 0.00 C ATOM 1032 OG SER A 600 7.570 -0.803 9.401 1.00 0.00 O ATOM 0 H SER A 600 7.086 -3.850 9.337 1.00 0.00 H new ATOM 0 HA SER A 600 6.596 -1.928 7.418 1.00 0.00 H new ATOM 0 HB2 SER A 600 8.771 -2.479 9.391 1.00 0.00 H new ATOM 0 HB3 SER A 600 9.117 -1.308 8.134 1.00 0.00 H new ATOM 0 HG SER A 600 7.297 -0.089 8.787 1.00 0.00 H new ATOM 1038 N ASN A 601 9.529 -3.081 6.652 1.00 0.00 N ATOM 1039 CA ASN A 601 10.411 -3.446 5.557 1.00 0.00 C ATOM 1040 C ASN A 601 11.819 -3.695 6.102 1.00 0.00 C ATOM 1041 O ASN A 601 12.120 -4.789 6.577 1.00 0.00 O ATOM 1042 CB ASN A 601 10.497 -2.323 4.522 1.00 0.00 C ATOM 1043 CG ASN A 601 10.347 -0.952 5.186 1.00 0.00 C ATOM 1044 OD1 ASN A 601 9.476 -0.725 6.009 1.00 0.00 O ATOM 1045 ND2 ASN A 601 11.243 -0.055 4.783 1.00 0.00 N ATOM 0 H ASN A 601 9.998 -2.931 7.545 1.00 0.00 H new ATOM 0 HA ASN A 601 10.009 -4.342 5.085 1.00 0.00 H new ATOM 0 HB2 ASN A 601 11.453 -2.376 4.001 1.00 0.00 H new ATOM 0 HB3 ASN A 601 9.718 -2.455 3.772 1.00 0.00 H new ATOM 0 HD21 ASN A 601 11.227 0.890 5.167 1.00 0.00 H new ATOM 0 HD22 ASN A 601 11.946 -0.312 4.090 1.00 0.00 H new ATOM 1052 N ASN A 602 12.644 -2.662 6.015 1.00 0.00 N ATOM 1053 CA ASN A 602 14.013 -2.755 6.494 1.00 0.00 C ATOM 1054 C ASN A 602 14.301 -1.582 7.434 1.00 0.00 C ATOM 1055 O ASN A 602 15.418 -1.439 7.929 1.00 0.00 O ATOM 1056 CB ASN A 602 15.008 -2.687 5.334 1.00 0.00 C ATOM 1057 CG ASN A 602 15.753 -4.014 5.173 1.00 0.00 C ATOM 1058 OD1 ASN A 602 15.205 -5.015 4.741 1.00 0.00 O ATOM 1059 ND2 ASN A 602 17.030 -3.966 5.541 1.00 0.00 N ATOM 0 H ASN A 602 12.391 -1.756 5.620 1.00 0.00 H new ATOM 0 HA ASN A 602 14.126 -3.708 7.010 1.00 0.00 H new ATOM 0 HB2 ASN A 602 14.480 -2.448 4.411 1.00 0.00 H new ATOM 0 HB3 ASN A 602 15.723 -1.883 5.510 1.00 0.00 H new ATOM 0 HD21 ASN A 602 17.613 -4.800 5.470 1.00 0.00 H new ATOM 0 HD22 ASN A 602 17.426 -3.095 5.894 1.00 0.00 H new ATOM 1066 N THR A 603 13.274 -0.773 7.651 1.00 0.00 N ATOM 1067 CA THR A 603 13.403 0.382 8.522 1.00 0.00 C ATOM 1068 C THR A 603 12.024 0.862 8.979 1.00 0.00 C ATOM 1069 O THR A 603 11.646 0.670 10.133 1.00 0.00 O ATOM 1070 CB THR A 603 14.201 1.452 7.774 1.00 0.00 C ATOM 1071 OG1 THR A 603 15.528 1.308 8.273 1.00 0.00 O ATOM 1072 CG2 THR A 603 13.802 2.872 8.180 1.00 0.00 C ATOM 0 H THR A 603 12.349 -0.895 7.238 1.00 0.00 H new ATOM 0 HA THR A 603 13.944 0.131 9.434 1.00 0.00 H new ATOM 0 HB THR A 603 14.056 1.328 6.701 1.00 0.00 H new ATOM 0 HG1 THR A 603 15.778 0.361 8.268 1.00 0.00 H new ATOM 0 HG21 THR A 603 14.399 3.592 7.620 1.00 0.00 H new ATOM 0 HG22 THR A 603 12.745 3.029 7.963 1.00 0.00 H new ATOM 0 HG23 THR A 603 13.977 3.008 9.247 1.00 0.00 H new ATOM 1080 N LYS A 604 11.309 1.478 8.048 1.00 0.00 N ATOM 1081 CA LYS A 604 9.979 1.987 8.341 1.00 0.00 C ATOM 1082 C LYS A 604 9.002 1.491 7.274 1.00 0.00 C ATOM 1083 O LYS A 604 8.203 0.591 7.529 1.00 0.00 O ATOM 1084 CB LYS A 604 10.009 3.510 8.488 1.00 0.00 C ATOM 1085 CG LYS A 604 8.600 4.098 8.387 1.00 0.00 C ATOM 1086 CD LYS A 604 8.652 5.613 8.184 1.00 0.00 C ATOM 1087 CE LYS A 604 8.942 6.333 9.502 1.00 0.00 C ATOM 1088 NZ LYS A 604 9.671 7.597 9.253 1.00 0.00 N ATOM 0 H LYS A 604 11.625 1.636 7.091 1.00 0.00 H new ATOM 0 HA LYS A 604 9.626 1.604 9.299 1.00 0.00 H new ATOM 0 HB2 LYS A 604 10.451 3.778 9.448 1.00 0.00 H new ATOM 0 HB3 LYS A 604 10.643 3.941 7.714 1.00 0.00 H new ATOM 0 HG2 LYS A 604 8.067 3.634 7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 604 8.040 3.868 9.293 1.00 0.00 H new ATOM 0 HD2 LYS A 604 9.423 5.859 7.454 1.00 0.00 H new ATOM 0 HD3 LYS A 604 7.703 5.962 7.776 1.00 0.00 H new ATOM 0 HE2 LYS A 604 8.007 6.542 10.022 1.00 0.00 H new ATOM 0 HE3 LYS A 604 9.532 5.688 10.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 9.367 8.314 9.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 10.693 7.433 9.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 9.465 7.933 8.290 1.00 0.00 H new ATOM 1101 N ASN A 605 9.097 2.099 6.101 1.00 0.00 N ATOM 1102 CA ASN A 605 8.231 1.731 4.994 1.00 0.00 C ATOM 1103 C ASN A 605 8.890 2.146 3.677 1.00 0.00 C ATOM 1104 O ASN A 605 10.032 2.602 3.666 1.00 0.00 O ATOM 1105 CB ASN A 605 6.880 2.442 5.091 1.00 0.00 C ATOM 1106 CG ASN A 605 6.080 1.936 6.294 1.00 0.00 C ATOM 1107 OD1 ASN A 605 5.608 2.697 7.122 1.00 0.00 O ATOM 1108 ND2 ASN A 605 5.954 0.613 6.342 1.00 0.00 N ATOM 0 H ASN A 605 9.761 2.845 5.893 1.00 0.00 H new ATOM 0 HA ASN A 605 8.075 0.653 5.033 1.00 0.00 H new ATOM 0 HB2 ASN A 605 7.036 3.517 5.180 1.00 0.00 H new ATOM 0 HB3 ASN A 605 6.311 2.277 4.176 1.00 0.00 H new ATOM 0 HD21 ASN A 605 5.437 0.177 7.106 1.00 0.00 H new ATOM 0 HD22 ASN A 605 6.375 0.034 5.615 1.00 0.00 H new ATOM 1115 N TYR A 606 8.141 1.973 2.597 1.00 0.00 N ATOM 1116 CA TYR A 606 8.638 2.323 1.278 1.00 0.00 C ATOM 1117 C TYR A 606 7.914 3.555 0.729 1.00 0.00 C ATOM 1118 O TYR A 606 6.846 3.920 1.217 1.00 0.00 O ATOM 1119 CB TYR A 606 8.332 1.124 0.379 1.00 0.00 C ATOM 1120 CG TYR A 606 9.079 -0.153 0.770 1.00 0.00 C ATOM 1121 CD1 TYR A 606 10.448 -0.125 0.947 1.00 0.00 C ATOM 1122 CD2 TYR A 606 8.385 -1.333 0.945 1.00 0.00 C ATOM 1123 CE1 TYR A 606 11.151 -1.326 1.314 1.00 0.00 C ATOM 1124 CE2 TYR A 606 9.088 -2.534 1.312 1.00 0.00 C ATOM 1125 CZ TYR A 606 10.437 -2.472 1.479 1.00 0.00 C ATOM 1126 OH TYR A 606 11.101 -3.606 1.826 1.00 0.00 O ATOM 0 H TYR A 606 7.194 1.595 2.609 1.00 0.00 H new ATOM 0 HA TYR A 606 9.703 2.554 1.318 1.00 0.00 H new ATOM 0 HB2 TYR A 606 7.260 0.928 0.404 1.00 0.00 H new ATOM 0 HB3 TYR A 606 8.585 1.380 -0.650 1.00 0.00 H new ATOM 0 HD1 TYR A 606 10.991 0.798 0.810 1.00 0.00 H new ATOM 0 HD2 TYR A 606 7.314 -1.355 0.807 1.00 0.00 H new ATOM 0 HE1 TYR A 606 12.222 -1.318 1.455 1.00 0.00 H new ATOM 0 HE2 TYR A 606 8.557 -3.464 1.452 1.00 0.00 H new ATOM 0 HH TYR A 606 11.179 -4.192 1.044 1.00 0.00 H new ATOM 1136 N LEU A 607 8.525 4.160 -0.279 1.00 0.00 N ATOM 1137 CA LEU A 607 7.952 5.342 -0.900 1.00 0.00 C ATOM 1138 C LEU A 607 7.352 4.962 -2.255 1.00 0.00 C ATOM 1139 O LEU A 607 8.053 4.448 -3.126 1.00 0.00 O ATOM 1140 CB LEU A 607 8.991 6.462 -0.980 1.00 0.00 C ATOM 1141 CG LEU A 607 9.392 7.102 0.351 1.00 0.00 C ATOM 1142 CD1 LEU A 607 10.862 7.525 0.336 1.00 0.00 C ATOM 1143 CD2 LEU A 607 8.464 8.267 0.701 1.00 0.00 C ATOM 0 H LEU A 607 9.411 3.854 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 607 7.139 5.736 -0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 607 9.888 6.065 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 607 8.604 7.243 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 607 9.281 6.354 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 607 11.120 7.977 1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 607 11.490 6.651 0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 607 11.024 8.249 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 607 8.771 8.704 1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 607 8.519 9.024 -0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 607 7.439 7.904 0.783 1.00 0.00 H new ATOM 1155 N PHE A 608 6.062 5.229 -2.391 1.00 0.00 N ATOM 1156 CA PHE A 608 5.360 4.921 -3.626 1.00 0.00 C ATOM 1157 C PHE A 608 4.823 6.194 -4.283 1.00 0.00 C ATOM 1158 O PHE A 608 4.407 7.125 -3.595 1.00 0.00 O ATOM 1159 CB PHE A 608 4.183 4.016 -3.257 1.00 0.00 C ATOM 1160 CG PHE A 608 4.556 2.855 -2.333 1.00 0.00 C ATOM 1161 CD1 PHE A 608 5.754 2.228 -2.479 1.00 0.00 C ATOM 1162 CD2 PHE A 608 3.690 2.450 -1.366 1.00 0.00 C ATOM 1163 CE1 PHE A 608 6.100 1.150 -1.622 1.00 0.00 C ATOM 1164 CE2 PHE A 608 4.036 1.373 -0.509 1.00 0.00 C ATOM 1165 CZ PHE A 608 5.234 0.745 -0.654 1.00 0.00 C ATOM 0 H PHE A 608 5.484 5.655 -1.667 1.00 0.00 H new ATOM 0 HA PHE A 608 6.039 4.439 -4.330 1.00 0.00 H new ATOM 0 HB2 PHE A 608 3.413 4.618 -2.775 1.00 0.00 H new ATOM 0 HB3 PHE A 608 3.747 3.613 -4.171 1.00 0.00 H new ATOM 0 HD1 PHE A 608 6.442 2.550 -3.247 1.00 0.00 H new ATOM 0 HD2 PHE A 608 2.739 2.948 -1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 608 7.051 0.651 -1.739 1.00 0.00 H new ATOM 0 HE2 PHE A 608 3.348 1.052 0.259 1.00 0.00 H new ATOM 0 HZ PHE A 608 5.497 -0.074 -0.001 1.00 0.00 H new ATOM 1175 N SER A 609 4.850 6.194 -5.608 1.00 0.00 N ATOM 1176 CA SER A 609 4.371 7.337 -6.366 1.00 0.00 C ATOM 1177 C SER A 609 3.102 6.962 -7.134 1.00 0.00 C ATOM 1178 O SER A 609 2.769 5.783 -7.251 1.00 0.00 O ATOM 1179 CB SER A 609 5.444 7.847 -7.331 1.00 0.00 C ATOM 1180 OG SER A 609 5.084 9.094 -7.918 1.00 0.00 O ATOM 0 H SER A 609 5.196 5.420 -6.176 1.00 0.00 H new ATOM 0 HA SER A 609 4.140 8.139 -5.665 1.00 0.00 H new ATOM 0 HB2 SER A 609 6.389 7.956 -6.798 1.00 0.00 H new ATOM 0 HB3 SER A 609 5.605 7.109 -8.117 1.00 0.00 H new ATOM 0 HG SER A 609 5.123 9.799 -7.238 1.00 0.00 H new ATOM 1186 N THR A 610 2.429 7.985 -7.638 1.00 0.00 N ATOM 1187 CA THR A 610 1.204 7.777 -8.392 1.00 0.00 C ATOM 1188 C THR A 610 1.441 6.784 -9.531 1.00 0.00 C ATOM 1189 O THR A 610 2.584 6.531 -9.911 1.00 0.00 O ATOM 1190 CB THR A 610 0.706 9.143 -8.870 1.00 0.00 C ATOM 1191 OG1 THR A 610 1.837 9.718 -9.517 1.00 0.00 O ATOM 1192 CG2 THR A 610 0.413 10.098 -7.711 1.00 0.00 C ATOM 0 H THR A 610 2.708 8.961 -7.539 1.00 0.00 H new ATOM 0 HA THR A 610 0.428 7.331 -7.771 1.00 0.00 H new ATOM 0 HB THR A 610 -0.196 9.011 -9.468 1.00 0.00 H new ATOM 0 HG1 THR A 610 1.602 10.606 -9.859 1.00 0.00 H new ATOM 0 HG21 THR A 610 0.063 11.052 -8.105 1.00 0.00 H new ATOM 0 HG22 THR A 610 -0.355 9.667 -7.069 1.00 0.00 H new ATOM 0 HG23 THR A 610 1.322 10.257 -7.131 1.00 0.00 H new ATOM 1200 N GLY A 611 0.344 6.249 -10.045 1.00 0.00 N ATOM 1201 CA GLY A 611 0.418 5.289 -11.133 1.00 0.00 C ATOM 1202 C GLY A 611 -0.057 3.907 -10.679 1.00 0.00 C ATOM 1203 O GLY A 611 -0.985 3.798 -9.879 1.00 0.00 O ATOM 0 H GLY A 611 -0.602 6.462 -9.728 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -0.194 5.632 -11.967 1.00 0.00 H new ATOM 0 HA3 GLY A 611 1.444 5.224 -11.496 1.00 0.00 H new ATOM 1207 N THR A 612 0.600 2.887 -11.210 1.00 0.00 N ATOM 1208 CA THR A 612 0.257 1.517 -10.870 1.00 0.00 C ATOM 1209 C THR A 612 1.407 0.852 -10.111 1.00 0.00 C ATOM 1210 O THR A 612 2.545 0.850 -10.578 1.00 0.00 O ATOM 1211 CB THR A 612 -0.120 0.789 -12.161 1.00 0.00 C ATOM 1212 OG1 THR A 612 -0.825 1.768 -12.919 1.00 0.00 O ATOM 1213 CG2 THR A 612 -1.152 -0.317 -11.931 1.00 0.00 C ATOM 0 H THR A 612 1.369 2.982 -11.874 1.00 0.00 H new ATOM 0 HA THR A 612 -0.600 1.480 -10.197 1.00 0.00 H new ATOM 0 HB THR A 612 0.776 0.361 -12.610 1.00 0.00 H new ATOM 0 HG1 THR A 612 -1.105 1.380 -13.774 1.00 0.00 H new ATOM 0 HG21 THR A 612 -1.384 -0.801 -12.880 1.00 0.00 H new ATOM 0 HG22 THR A 612 -0.747 -1.054 -11.237 1.00 0.00 H new ATOM 0 HG23 THR A 612 -2.061 0.115 -11.512 1.00 0.00 H new ATOM 1221 N SER A 613 1.070 0.303 -8.953 1.00 0.00 N ATOM 1222 CA SER A 613 2.060 -0.364 -8.125 1.00 0.00 C ATOM 1223 C SER A 613 1.466 -1.638 -7.521 1.00 0.00 C ATOM 1224 O SER A 613 0.247 -1.771 -7.421 1.00 0.00 O ATOM 1225 CB SER A 613 2.565 0.562 -7.017 1.00 0.00 C ATOM 1226 OG SER A 613 3.028 1.807 -7.532 1.00 0.00 O ATOM 0 H SER A 613 0.125 0.307 -8.569 1.00 0.00 H new ATOM 0 HA SER A 613 2.909 -0.630 -8.755 1.00 0.00 H new ATOM 0 HB2 SER A 613 1.763 0.742 -6.301 1.00 0.00 H new ATOM 0 HB3 SER A 613 3.373 0.071 -6.474 1.00 0.00 H new ATOM 0 HG SER A 613 3.341 2.371 -6.794 1.00 0.00 H new ATOM 1232 N THR A 614 2.354 -2.543 -7.136 1.00 0.00 N ATOM 1233 CA THR A 614 1.932 -3.801 -6.545 1.00 0.00 C ATOM 1234 C THR A 614 2.746 -4.098 -5.285 1.00 0.00 C ATOM 1235 O THR A 614 3.973 -4.171 -5.336 1.00 0.00 O ATOM 1236 CB THR A 614 2.050 -4.889 -7.615 1.00 0.00 C ATOM 1237 OG1 THR A 614 1.489 -4.291 -8.781 1.00 0.00 O ATOM 1238 CG2 THR A 614 1.140 -6.087 -7.336 1.00 0.00 C ATOM 0 H THR A 614 3.364 -2.430 -7.222 1.00 0.00 H new ATOM 0 HA THR A 614 0.893 -3.756 -6.219 1.00 0.00 H new ATOM 0 HB THR A 614 3.085 -5.226 -7.677 1.00 0.00 H new ATOM 0 HG1 THR A 614 2.192 -3.824 -9.280 1.00 0.00 H new ATOM 0 HG21 THR A 614 1.263 -6.829 -8.125 1.00 0.00 H new ATOM 0 HG22 THR A 614 1.406 -6.530 -6.376 1.00 0.00 H new ATOM 0 HG23 THR A 614 0.102 -5.756 -7.307 1.00 0.00 H new ATOM 1246 N TYR A 615 2.031 -4.263 -4.182 1.00 0.00 N ATOM 1247 CA TYR A 615 2.672 -4.550 -2.910 1.00 0.00 C ATOM 1248 C TYR A 615 2.654 -6.051 -2.613 1.00 0.00 C ATOM 1249 O TYR A 615 1.589 -6.664 -2.561 1.00 0.00 O ATOM 1250 CB TYR A 615 1.846 -3.823 -1.847 1.00 0.00 C ATOM 1251 CG TYR A 615 2.666 -3.318 -0.658 1.00 0.00 C ATOM 1252 CD1 TYR A 615 3.925 -3.832 -0.421 1.00 0.00 C ATOM 1253 CD2 TYR A 615 2.148 -2.350 0.177 1.00 0.00 C ATOM 1254 CE1 TYR A 615 4.697 -3.357 0.697 1.00 0.00 C ATOM 1255 CE2 TYR A 615 2.920 -1.875 1.296 1.00 0.00 C ATOM 1256 CZ TYR A 615 4.157 -2.402 1.501 1.00 0.00 C ATOM 1257 OH TYR A 615 4.886 -1.954 2.558 1.00 0.00 O ATOM 0 H TYR A 615 1.013 -4.203 -4.143 1.00 0.00 H new ATOM 0 HA TYR A 615 3.713 -4.227 -2.924 1.00 0.00 H new ATOM 0 HB2 TYR A 615 1.340 -2.977 -2.311 1.00 0.00 H new ATOM 0 HB3 TYR A 615 1.071 -4.496 -1.481 1.00 0.00 H new ATOM 0 HD1 TYR A 615 4.331 -4.590 -1.074 1.00 0.00 H new ATOM 0 HD2 TYR A 615 1.163 -1.948 -0.009 1.00 0.00 H new ATOM 0 HE1 TYR A 615 5.684 -3.750 0.893 1.00 0.00 H new ATOM 0 HE2 TYR A 615 2.526 -1.118 1.957 1.00 0.00 H new ATOM 0 HH TYR A 615 4.522 -1.098 2.867 1.00 0.00 H new ATOM 1267 N THR A 616 3.845 -6.600 -2.427 1.00 0.00 N ATOM 1268 CA THR A 616 3.979 -8.017 -2.138 1.00 0.00 C ATOM 1269 C THR A 616 4.905 -8.231 -0.938 1.00 0.00 C ATOM 1270 O THR A 616 6.031 -7.736 -0.923 1.00 0.00 O ATOM 1271 CB THR A 616 4.462 -8.716 -3.410 1.00 0.00 C ATOM 1272 OG1 THR A 616 3.383 -8.553 -4.326 1.00 0.00 O ATOM 1273 CG2 THR A 616 4.578 -10.232 -3.237 1.00 0.00 C ATOM 0 H THR A 616 4.726 -6.089 -2.471 1.00 0.00 H new ATOM 0 HA THR A 616 3.022 -8.455 -1.853 1.00 0.00 H new ATOM 0 HB THR A 616 5.430 -8.309 -3.703 1.00 0.00 H new ATOM 0 HG1 THR A 616 3.612 -8.976 -5.180 1.00 0.00 H new ATOM 0 HG21 THR A 616 4.924 -10.679 -4.169 1.00 0.00 H new ATOM 0 HG22 THR A 616 5.289 -10.454 -2.441 1.00 0.00 H new ATOM 0 HG23 THR A 616 3.603 -10.644 -2.977 1.00 0.00 H new ATOM 1281 N PRO A 617 4.383 -8.989 0.063 1.00 0.00 N ATOM 1282 CA PRO A 617 5.150 -9.275 1.263 1.00 0.00 C ATOM 1283 C PRO A 617 6.230 -10.322 0.987 1.00 0.00 C ATOM 1284 O PRO A 617 7.333 -10.239 1.525 1.00 0.00 O ATOM 1285 CB PRO A 617 4.124 -9.735 2.286 1.00 0.00 C ATOM 1286 CG PRO A 617 2.892 -10.134 1.490 1.00 0.00 C ATOM 1287 CD PRO A 617 3.053 -9.591 0.079 1.00 0.00 C ATOM 0 HA PRO A 617 5.696 -8.406 1.630 1.00 0.00 H new ATOM 0 HB2 PRO A 617 4.502 -10.576 2.868 1.00 0.00 H new ATOM 0 HB3 PRO A 617 3.892 -8.938 2.992 1.00 0.00 H new ATOM 0 HG2 PRO A 617 2.784 -11.218 1.472 1.00 0.00 H new ATOM 0 HG3 PRO A 617 1.991 -9.732 1.953 1.00 0.00 H new ATOM 0 HD2 PRO A 617 2.969 -10.385 -0.663 1.00 0.00 H new ATOM 0 HD3 PRO A 617 2.283 -8.855 -0.153 1.00 0.00 H new ATOM 1295 N GLY A 618 5.875 -11.285 0.149 1.00 0.00 N ATOM 1296 CA GLY A 618 6.801 -12.348 -0.205 1.00 0.00 C ATOM 1297 C GLY A 618 7.058 -13.271 0.988 1.00 0.00 C ATOM 1298 O GLY A 618 6.739 -12.926 2.124 1.00 0.00 O ATOM 0 H GLY A 618 4.959 -11.352 -0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 618 6.396 -12.926 -1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 618 7.742 -11.917 -0.545 1.00 0.00 H new ATOM 1302 N SER A 619 7.633 -14.426 0.688 1.00 0.00 N ATOM 1303 CA SER A 619 7.937 -15.401 1.721 1.00 0.00 C ATOM 1304 C SER A 619 9.404 -15.824 1.626 1.00 0.00 C ATOM 1305 O SER A 619 10.086 -15.944 2.643 1.00 0.00 O ATOM 1306 CB SER A 619 7.024 -16.624 1.610 1.00 0.00 C ATOM 1307 OG SER A 619 6.455 -16.981 2.867 1.00 0.00 O ATOM 0 H SER A 619 7.896 -14.709 -0.256 1.00 0.00 H new ATOM 0 HA SER A 619 7.761 -14.937 2.691 1.00 0.00 H new ATOM 0 HB2 SER A 619 6.226 -16.417 0.896 1.00 0.00 H new ATOM 0 HB3 SER A 619 7.593 -17.467 1.217 1.00 0.00 H new ATOM 0 HG SER A 619 5.878 -17.765 2.754 1.00 0.00 H new ATOM 1313 N ASN A 620 9.847 -16.037 0.396 1.00 0.00 N ATOM 1314 CA ASN A 620 11.221 -16.444 0.155 1.00 0.00 C ATOM 1315 C ASN A 620 12.167 -15.350 0.655 1.00 0.00 C ATOM 1316 O ASN A 620 11.948 -14.773 1.719 1.00 0.00 O ATOM 1317 CB ASN A 620 11.482 -16.648 -1.338 1.00 0.00 C ATOM 1318 CG ASN A 620 10.326 -17.403 -1.998 1.00 0.00 C ATOM 1319 OD1 ASN A 620 9.181 -16.985 -1.969 1.00 0.00 O ATOM 1320 ND2 ASN A 620 10.690 -18.536 -2.593 1.00 0.00 N ATOM 0 H ASN A 620 9.279 -15.935 -0.445 1.00 0.00 H new ATOM 0 HA ASN A 620 11.392 -17.383 0.682 1.00 0.00 H new ATOM 0 HB2 ASN A 620 11.614 -15.681 -1.823 1.00 0.00 H new ATOM 0 HB3 ASN A 620 12.410 -17.203 -1.476 1.00 0.00 H new ATOM 0 HD21 ASN A 620 9.992 -19.113 -3.062 1.00 0.00 H new ATOM 0 HD22 ASN A 620 11.667 -18.828 -2.580 1.00 0.00 H new ATOM 1327 N GLY A 621 13.199 -15.097 -0.137 1.00 0.00 N ATOM 1328 CA GLY A 621 14.179 -14.083 0.211 1.00 0.00 C ATOM 1329 C GLY A 621 13.706 -12.693 -0.219 1.00 0.00 C ATOM 1330 O GLY A 621 14.505 -11.874 -0.673 1.00 0.00 O ATOM 0 H GLY A 621 13.377 -15.577 -1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 621 14.354 -14.095 1.287 1.00 0.00 H new ATOM 0 HA3 GLY A 621 15.131 -14.312 -0.269 1.00 0.00 H new ATOM 1334 N ALA A 622 12.410 -12.469 -0.062 1.00 0.00 N ATOM 1335 CA ALA A 622 11.821 -11.192 -0.428 1.00 0.00 C ATOM 1336 C ALA A 622 11.149 -10.574 0.799 1.00 0.00 C ATOM 1337 O ALA A 622 10.068 -11.002 1.200 1.00 0.00 O ATOM 1338 CB ALA A 622 10.844 -11.394 -1.588 1.00 0.00 C ATOM 0 H ALA A 622 11.751 -13.151 0.314 1.00 0.00 H new ATOM 0 HA ALA A 622 12.590 -10.498 -0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 622 10.402 -10.436 -1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 622 11.377 -11.807 -2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 622 10.056 -12.083 -1.284 1.00 0.00 H new ATOM 1344 N ALA A 623 11.817 -9.578 1.361 1.00 0.00 N ATOM 1345 CA ALA A 623 11.298 -8.896 2.535 1.00 0.00 C ATOM 1346 C ALA A 623 10.632 -7.587 2.107 1.00 0.00 C ATOM 1347 O ALA A 623 11.307 -6.579 1.909 1.00 0.00 O ATOM 1348 CB ALA A 623 12.430 -8.673 3.539 1.00 0.00 C ATOM 0 H ALA A 623 12.714 -9.226 1.025 1.00 0.00 H new ATOM 0 HA ALA A 623 10.541 -9.505 3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 623 12.040 -8.162 4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 623 12.849 -9.635 3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 623 13.208 -8.063 3.080 1.00 0.00 H new ATOM 1354 N GLY A 624 9.314 -7.646 1.976 1.00 0.00 N ATOM 1355 CA GLY A 624 8.549 -6.478 1.575 1.00 0.00 C ATOM 1356 C GLY A 624 9.102 -5.878 0.280 1.00 0.00 C ATOM 1357 O GLY A 624 10.176 -5.278 0.279 1.00 0.00 O ATOM 0 H GLY A 624 8.757 -8.485 2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 624 7.504 -6.754 1.435 1.00 0.00 H new ATOM 0 HA3 GLY A 624 8.578 -5.730 2.368 1.00 0.00 H new ATOM 1361 N THR A 625 8.344 -6.062 -0.790 1.00 0.00 N ATOM 1362 CA THR A 625 8.745 -5.546 -2.089 1.00 0.00 C ATOM 1363 C THR A 625 7.524 -5.044 -2.863 1.00 0.00 C ATOM 1364 O THR A 625 6.428 -5.582 -2.718 1.00 0.00 O ATOM 1365 CB THR A 625 9.515 -6.649 -2.818 1.00 0.00 C ATOM 1366 OG1 THR A 625 8.621 -7.759 -2.812 1.00 0.00 O ATOM 1367 CG2 THR A 625 10.725 -7.142 -2.022 1.00 0.00 C ATOM 0 H THR A 625 7.454 -6.561 -0.785 1.00 0.00 H new ATOM 0 HA THR A 625 9.403 -4.683 -1.986 1.00 0.00 H new ATOM 0 HB THR A 625 9.845 -6.280 -3.789 1.00 0.00 H new ATOM 0 HG1 THR A 625 9.040 -8.519 -3.267 1.00 0.00 H new ATOM 0 HG21 THR A 625 11.236 -7.924 -2.584 1.00 0.00 H new ATOM 0 HG22 THR A 625 11.410 -6.312 -1.850 1.00 0.00 H new ATOM 0 HG23 THR A 625 10.392 -7.542 -1.064 1.00 0.00 H new ATOM 1375 N ILE A 626 7.756 -4.018 -3.669 1.00 0.00 N ATOM 1376 CA ILE A 626 6.690 -3.437 -4.466 1.00 0.00 C ATOM 1377 C ILE A 626 7.089 -3.464 -5.943 1.00 0.00 C ATOM 1378 O ILE A 626 8.183 -3.030 -6.301 1.00 0.00 O ATOM 1379 CB ILE A 626 6.336 -2.040 -3.951 1.00 0.00 C ATOM 1380 CG1 ILE A 626 6.820 -1.847 -2.512 1.00 0.00 C ATOM 1381 CG2 ILE A 626 4.837 -1.767 -4.092 1.00 0.00 C ATOM 1382 CD1 ILE A 626 8.249 -1.300 -2.484 1.00 0.00 C ATOM 0 H ILE A 626 8.667 -3.574 -3.787 1.00 0.00 H new ATOM 0 HA ILE A 626 5.779 -4.028 -4.371 1.00 0.00 H new ATOM 0 HB ILE A 626 6.857 -1.307 -4.567 1.00 0.00 H new ATOM 0 HG12 ILE A 626 6.154 -1.161 -1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 626 6.780 -2.798 -1.980 1.00 0.00 H new ATOM 0 HG21 ILE A 626 4.612 -0.768 -3.719 1.00 0.00 H new ATOM 0 HG22 ILE A 626 4.552 -1.835 -5.142 1.00 0.00 H new ATOM 0 HG23 ILE A 626 4.277 -2.504 -3.516 1.00 0.00 H new ATOM 0 HD11 ILE A 626 8.569 -1.172 -1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 626 8.916 -2.000 -2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 626 8.280 -0.338 -2.995 1.00 0.00 H new ATOM 1394 N ARG A 627 6.182 -3.979 -6.759 1.00 0.00 N ATOM 1395 CA ARG A 627 6.426 -4.069 -8.188 1.00 0.00 C ATOM 1396 C ARG A 627 5.495 -3.121 -8.947 1.00 0.00 C ATOM 1397 O ARG A 627 4.274 -3.218 -8.829 1.00 0.00 O ATOM 1398 CB ARG A 627 6.211 -5.497 -8.695 1.00 0.00 C ATOM 1399 CG ARG A 627 7.474 -6.034 -9.372 1.00 0.00 C ATOM 1400 CD ARG A 627 7.298 -6.096 -10.890 1.00 0.00 C ATOM 1401 NE ARG A 627 7.792 -7.393 -11.404 1.00 0.00 N ATOM 1402 CZ ARG A 627 7.190 -8.578 -11.169 1.00 0.00 C ATOM 1403 NH1 ARG A 627 6.066 -8.641 -10.425 1.00 0.00 N ATOM 1404 NH2 ARG A 627 7.718 -9.676 -11.678 1.00 0.00 N ATOM 0 H ARG A 627 5.276 -4.339 -6.458 1.00 0.00 H new ATOM 0 HA ARG A 627 7.463 -3.784 -8.365 1.00 0.00 H new ATOM 0 HB2 ARG A 627 5.937 -6.145 -7.863 1.00 0.00 H new ATOM 0 HB3 ARG A 627 5.380 -5.515 -9.400 1.00 0.00 H new ATOM 0 HG2 ARG A 627 8.322 -5.395 -9.126 1.00 0.00 H new ATOM 0 HG3 ARG A 627 7.702 -7.028 -8.988 1.00 0.00 H new ATOM 0 HD2 ARG A 627 6.246 -5.970 -11.148 1.00 0.00 H new ATOM 0 HD3 ARG A 627 7.842 -5.278 -11.361 1.00 0.00 H new ATOM 0 HE ARG A 627 8.640 -7.391 -11.971 1.00 0.00 H new ATOM 0 HH11 ARG A 627 5.664 -7.789 -10.035 1.00 0.00 H new ATOM 0 HH12 ARG A 627 5.618 -9.541 -10.253 1.00 0.00 H new ATOM 0 HH21 ARG A 627 8.568 -9.620 -12.239 1.00 0.00 H new ATOM 0 HH22 ARG A 627 7.276 -10.580 -11.510 1.00 0.00 H new ATOM 1417 N THR A 628 6.107 -2.225 -9.708 1.00 0.00 N ATOM 1418 CA THR A 628 5.348 -1.260 -10.485 1.00 0.00 C ATOM 1419 C THR A 628 4.732 -1.931 -11.714 1.00 0.00 C ATOM 1420 O THR A 628 5.315 -2.857 -12.278 1.00 0.00 O ATOM 1421 CB THR A 628 6.278 -0.096 -10.831 1.00 0.00 C ATOM 1422 OG1 THR A 628 7.469 -0.374 -10.100 1.00 0.00 O ATOM 1423 CG2 THR A 628 5.790 1.235 -10.254 1.00 0.00 C ATOM 0 H THR A 628 7.120 -2.147 -9.803 1.00 0.00 H new ATOM 0 HA THR A 628 4.508 -0.865 -9.914 1.00 0.00 H new ATOM 0 HB THR A 628 6.366 -0.012 -11.914 1.00 0.00 H new ATOM 0 HG1 THR A 628 8.128 0.331 -10.268 1.00 0.00 H new ATOM 0 HG21 THR A 628 6.486 2.028 -10.529 1.00 0.00 H new ATOM 0 HG22 THR A 628 4.802 1.465 -10.654 1.00 0.00 H new ATOM 0 HG23 THR A 628 5.734 1.162 -9.168 1.00 0.00 H new ATOM 1431 N GLY A 629 3.562 -1.439 -12.094 1.00 0.00 N ATOM 1432 CA GLY A 629 2.861 -1.980 -13.246 1.00 0.00 C ATOM 1433 C GLY A 629 1.605 -2.741 -12.816 1.00 0.00 C ATOM 1434 O GLY A 629 1.618 -3.449 -11.810 1.00 0.00 O ATOM 0 H GLY A 629 3.082 -0.671 -11.624 1.00 0.00 H new ATOM 0 HA2 GLY A 629 2.586 -1.170 -13.922 1.00 0.00 H new ATOM 0 HA3 GLY A 629 3.523 -2.646 -13.799 1.00 0.00 H new ATOM 1438 N ALA A 630 0.551 -2.570 -13.599 1.00 0.00 N ATOM 1439 CA ALA A 630 -0.710 -3.232 -13.312 1.00 0.00 C ATOM 1440 C ALA A 630 -0.498 -4.747 -13.317 1.00 0.00 C ATOM 1441 O ALA A 630 -0.117 -5.321 -14.336 1.00 0.00 O ATOM 1442 CB ALA A 630 -1.764 -2.787 -14.329 1.00 0.00 C ATOM 0 H ALA A 630 0.544 -1.982 -14.433 1.00 0.00 H new ATOM 0 HA ALA A 630 -1.074 -2.953 -12.323 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -2.710 -3.284 -14.114 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -1.898 -1.707 -14.265 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -1.435 -3.053 -15.334 1.00 0.00 H new ATOM 1448 N PRO A 631 -0.762 -5.368 -12.136 1.00 0.00 N ATOM 1449 CA PRO A 631 -0.604 -6.806 -11.995 1.00 0.00 C ATOM 1450 C PRO A 631 -1.748 -7.553 -12.682 1.00 0.00 C ATOM 1451 O PRO A 631 -2.828 -6.997 -12.880 1.00 0.00 O ATOM 1452 CB PRO A 631 -0.551 -7.050 -10.496 1.00 0.00 C ATOM 1453 CG PRO A 631 -1.144 -5.809 -9.849 1.00 0.00 C ATOM 1454 CD PRO A 631 -1.215 -4.721 -10.908 1.00 0.00 C ATOM 0 HA PRO A 631 0.299 -7.180 -12.478 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -1.118 -7.940 -10.225 1.00 0.00 H new ATOM 0 HB3 PRO A 631 0.474 -7.212 -10.163 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -2.137 -6.022 -9.453 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -0.529 -5.485 -9.009 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -2.230 -4.337 -11.014 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -0.579 -3.874 -10.649 1.00 0.00 H new ATOM 1462 N SER A 632 -1.474 -8.802 -13.029 1.00 0.00 N ATOM 1463 CA SER A 632 -2.467 -9.631 -13.690 1.00 0.00 C ATOM 1464 C SER A 632 -2.339 -11.080 -13.216 1.00 0.00 C ATOM 1465 O SER A 632 -1.706 -11.900 -13.878 1.00 0.00 O ATOM 1466 CB SER A 632 -2.322 -9.556 -15.211 1.00 0.00 C ATOM 1467 OG SER A 632 -0.986 -9.816 -15.634 1.00 0.00 O ATOM 0 H SER A 632 -0.578 -9.260 -12.865 1.00 0.00 H new ATOM 0 HA SER A 632 -3.456 -9.255 -13.427 1.00 0.00 H new ATOM 0 HB2 SER A 632 -2.996 -10.276 -15.675 1.00 0.00 H new ATOM 0 HB3 SER A 632 -2.625 -8.567 -15.556 1.00 0.00 H new ATOM 0 HG SER A 632 -0.675 -10.656 -15.237 1.00 0.00 H new ATOM 1473 N GLY A 633 -2.950 -11.350 -12.072 1.00 0.00 N ATOM 1474 CA GLY A 633 -2.913 -12.686 -11.501 1.00 0.00 C ATOM 1475 C GLY A 633 -1.611 -12.917 -10.730 1.00 0.00 C ATOM 1476 O GLY A 633 -1.038 -14.004 -10.784 1.00 0.00 O ATOM 0 H GLY A 633 -3.474 -10.667 -11.525 1.00 0.00 H new ATOM 0 HA2 GLY A 633 -3.764 -12.824 -10.834 1.00 0.00 H new ATOM 0 HA3 GLY A 633 -3.006 -13.427 -12.295 1.00 0.00 H new TER 1480 GLY A 633