USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 714 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 534 ASN : amide:sc= -1.07 K(o=-1.1,f=-3.3!) USER MOD Set 1.2: A 609 SER OG : rot 84:sc=-0.00636 USER MOD Set 1.3: A 610 THR OG1 : rot -120:sc= 0.0031 USER MOD Set 2.1: A 601 ASN : amide:sc= -2.67 K(o=-4.8,f=1.1) USER MOD Set 2.2: A 604 LYS NZ :NH3+ -128:sc= -2.09 (180deg=0) USER MOD Set 3.1: A 600 SER OG : rot -69:sc= -1.53 USER MOD Set 3.2: A 605 ASN : amide:sc= -0.85 K(o=-2.4,f=-3.6!) USER MOD Set 4.1: A 542 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 546 SER OG : rot 100:sc= 0.0154! USER MOD Single : A 532 THR OG1 : rot -130:sc= -3.55! USER MOD Single : A 533 THR OG1 : rot 1:sc= 0.822 USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 537 THR OG1 : rot 180:sc= 0 USER MOD Single : A 539 TYR OH : rot 165:sc= 0 USER MOD Single : A 540 TYR OH : rot 90:sc= -0.533 USER MOD Single : A 541 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 ASN : amide:sc= -0.754 X(o=-0.75,f=-0.75) USER MOD Single : A 548 TYR OH : rot 180:sc= 0 USER MOD Single : A 550 HIS : no HE2:sc= -5.42 X(o=-5.4,f=-5!) USER MOD Single : A 551 TYR OH : rot 180:sc= -1.65! USER MOD Single : A 557 SER OG : rot 180:sc= -0.798 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 -130:sc= -11.4! (180deg=-18.8!) USER MOD Single : A 567 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 572 SER OG : rot 69:sc= 0.237 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 578 THR OG1 : rot 180:sc= 0 USER MOD Single : A 583 SER OG : rot 180:sc= 0 USER MOD Single : A 585 SER OG : rot 180:sc= 0 USER MOD Single : A 586 GLN : amide:sc= -0.347 X(o=-0.35,f=0) USER MOD Single : A 592 ASN : amide:sc= -0.342 K(o=-0.34,f=-1.1) USER MOD Single : A 595 ASN : amide:sc= -4.91! C(o=-4.9!,f=-14!) USER MOD Single : A 596 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.8!) USER MOD Single : A 597 ASN : amide:sc= -0.853 K(o=-0.85,f=-5.4!) USER MOD Single : A 602 ASN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 603 THR OG1 : rot -32:sc= -0.12! USER MOD Single : A 606 TYR OH : rot 180:sc= 0 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 160:sc= -1.1 USER MOD Single : A 615 TYR OH : rot 61:sc= -1.05 USER MOD Single : A 616 THR OG1 : rot 180:sc= 0 USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 620 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 628 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 530 -12.032 15.201 -3.705 1.00 0.00 N ATOM 2 CA GLY A 530 -12.380 16.464 -3.075 1.00 0.00 C ATOM 3 C GLY A 530 -11.175 17.405 -3.031 1.00 0.00 C ATOM 4 O GLY A 530 -11.328 18.621 -3.131 1.00 0.00 O ATOM 0 HA2 GLY A 530 -13.195 16.936 -3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 530 -12.741 16.282 -2.063 1.00 0.00 H new ATOM 8 N GLY A 531 -10.002 16.807 -2.880 1.00 0.00 N ATOM 9 CA GLY A 531 -8.771 17.577 -2.822 1.00 0.00 C ATOM 10 C GLY A 531 -7.653 16.882 -3.602 1.00 0.00 C ATOM 11 O GLY A 531 -7.904 16.258 -4.631 1.00 0.00 O ATOM 0 H GLY A 531 -9.878 15.798 -2.796 1.00 0.00 H new ATOM 0 HA2 GLY A 531 -8.941 18.573 -3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 531 -8.468 17.707 -1.783 1.00 0.00 H new ATOM 15 N THR A 532 -6.442 17.015 -3.081 1.00 0.00 N ATOM 16 CA THR A 532 -5.284 16.408 -3.715 1.00 0.00 C ATOM 17 C THR A 532 -5.392 16.517 -5.238 1.00 0.00 C ATOM 18 O THR A 532 -6.122 17.362 -5.753 1.00 0.00 O ATOM 19 CB THR A 532 -5.172 14.966 -3.216 1.00 0.00 C ATOM 20 OG1 THR A 532 -6.485 14.438 -3.385 1.00 0.00 O ATOM 21 CG2 THR A 532 -4.930 14.887 -1.707 1.00 0.00 C ATOM 0 H THR A 532 -6.238 17.534 -2.227 1.00 0.00 H new ATOM 0 HA THR A 532 -4.367 16.932 -3.446 1.00 0.00 H new ATOM 0 HB THR A 532 -4.361 14.461 -3.741 1.00 0.00 H new ATOM 0 HG1 THR A 532 -6.774 14.006 -2.554 1.00 0.00 H new ATOM 0 HG21 THR A 532 -4.858 13.842 -1.404 1.00 0.00 H new ATOM 0 HG22 THR A 532 -4.001 15.401 -1.460 1.00 0.00 H new ATOM 0 HG23 THR A 532 -5.758 15.361 -1.180 1.00 0.00 H new ATOM 29 N THR A 533 -4.653 15.650 -5.915 1.00 0.00 N ATOM 30 CA THR A 533 -4.657 15.638 -7.368 1.00 0.00 C ATOM 31 C THR A 533 -4.286 14.248 -7.890 1.00 0.00 C ATOM 32 O THR A 533 -5.154 13.494 -8.327 1.00 0.00 O ATOM 33 CB THR A 533 -3.713 16.741 -7.852 1.00 0.00 C ATOM 34 OG1 THR A 533 -4.443 17.944 -7.631 1.00 0.00 O ATOM 35 CG2 THR A 533 -3.501 16.706 -9.367 1.00 0.00 C ATOM 0 H THR A 533 -4.048 14.951 -5.484 1.00 0.00 H new ATOM 0 HA THR A 533 -5.652 15.845 -7.763 1.00 0.00 H new ATOM 0 HB THR A 533 -2.751 16.643 -7.349 1.00 0.00 H new ATOM 0 HG1 THR A 533 -5.309 17.731 -7.226 1.00 0.00 H new ATOM 0 HG21 THR A 533 -2.824 17.509 -9.658 1.00 0.00 H new ATOM 0 HG22 THR A 533 -3.070 15.746 -9.652 1.00 0.00 H new ATOM 0 HG23 THR A 533 -4.458 16.838 -9.871 1.00 0.00 H new ATOM 43 N ASN A 534 -2.997 13.952 -7.828 1.00 0.00 N ATOM 44 CA ASN A 534 -2.501 12.667 -8.290 1.00 0.00 C ATOM 45 C ASN A 534 -2.964 11.571 -7.328 1.00 0.00 C ATOM 46 O ASN A 534 -3.512 11.863 -6.266 1.00 0.00 O ATOM 47 CB ASN A 534 -0.972 12.647 -8.328 1.00 0.00 C ATOM 48 CG ASN A 534 -0.462 12.303 -9.729 1.00 0.00 C ATOM 49 OD1 ASN A 534 -1.218 11.986 -10.632 1.00 0.00 O ATOM 50 ND2 ASN A 534 0.859 12.382 -9.858 1.00 0.00 N ATOM 0 H ASN A 534 -2.280 14.580 -7.465 1.00 0.00 H new ATOM 0 HA ASN A 534 -2.889 12.498 -9.295 1.00 0.00 H new ATOM 0 HB2 ASN A 534 -0.585 13.620 -8.025 1.00 0.00 H new ATOM 0 HB3 ASN A 534 -0.597 11.917 -7.611 1.00 0.00 H new ATOM 0 HD21 ASN A 534 1.297 12.171 -10.754 1.00 0.00 H new ATOM 0 HD22 ASN A 534 1.434 12.654 -9.061 1.00 0.00 H new ATOM 57 N LYS A 535 -2.726 10.332 -7.733 1.00 0.00 N ATOM 58 CA LYS A 535 -3.112 9.191 -6.920 1.00 0.00 C ATOM 59 C LYS A 535 -2.086 8.071 -7.101 1.00 0.00 C ATOM 60 O LYS A 535 -1.359 8.044 -8.094 1.00 0.00 O ATOM 61 CB LYS A 535 -4.547 8.768 -7.239 1.00 0.00 C ATOM 62 CG LYS A 535 -5.550 9.813 -6.744 1.00 0.00 C ATOM 63 CD LYS A 535 -6.000 10.725 -7.887 1.00 0.00 C ATOM 64 CE LYS A 535 -7.298 10.215 -8.516 1.00 0.00 C ATOM 65 NZ LYS A 535 -7.451 10.746 -9.889 1.00 0.00 N ATOM 0 H LYS A 535 -2.270 10.093 -8.614 1.00 0.00 H new ATOM 0 HA LYS A 535 -3.110 9.458 -5.863 1.00 0.00 H new ATOM 0 HB2 LYS A 535 -4.659 8.632 -8.315 1.00 0.00 H new ATOM 0 HB3 LYS A 535 -4.759 7.806 -6.772 1.00 0.00 H new ATOM 0 HG2 LYS A 535 -6.416 9.314 -6.310 1.00 0.00 H new ATOM 0 HG3 LYS A 535 -5.097 10.411 -5.953 1.00 0.00 H new ATOM 0 HD2 LYS A 535 -6.147 11.738 -7.513 1.00 0.00 H new ATOM 0 HD3 LYS A 535 -5.219 10.775 -8.646 1.00 0.00 H new ATOM 0 HE2 LYS A 535 -7.294 9.125 -8.539 1.00 0.00 H new ATOM 0 HE3 LYS A 535 -8.149 10.518 -7.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 -8.337 10.391 -10.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 -7.476 11.785 -9.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 -6.648 10.436 -10.473 1.00 0.00 H new ATOM 78 N VAL A 536 -2.059 7.174 -6.127 1.00 0.00 N ATOM 79 CA VAL A 536 -1.133 6.054 -6.166 1.00 0.00 C ATOM 80 C VAL A 536 -1.919 4.745 -6.063 1.00 0.00 C ATOM 81 O VAL A 536 -2.681 4.547 -5.119 1.00 0.00 O ATOM 82 CB VAL A 536 -0.080 6.207 -5.068 1.00 0.00 C ATOM 83 CG1 VAL A 536 1.268 5.641 -5.518 1.00 0.00 C ATOM 84 CG2 VAL A 536 0.056 7.669 -4.638 1.00 0.00 C ATOM 0 H VAL A 536 -2.663 7.199 -5.306 1.00 0.00 H new ATOM 0 HA VAL A 536 -0.594 6.036 -7.113 1.00 0.00 H new ATOM 0 HB VAL A 536 -0.413 5.633 -4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 536 1.999 5.763 -4.719 1.00 0.00 H new ATOM 0 HG12 VAL A 536 1.158 4.582 -5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 536 1.609 6.175 -6.405 1.00 0.00 H new ATOM 0 HG21 VAL A 536 0.811 7.750 -3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 536 0.354 8.274 -5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -0.900 8.027 -4.257 1.00 0.00 H new ATOM 94 N THR A 537 -1.706 3.885 -7.049 1.00 0.00 N ATOM 95 CA THR A 537 -2.384 2.601 -7.081 1.00 0.00 C ATOM 96 C THR A 537 -1.452 1.493 -6.587 1.00 0.00 C ATOM 97 O THR A 537 -0.358 1.313 -7.120 1.00 0.00 O ATOM 98 CB THR A 537 -2.898 2.373 -8.504 1.00 0.00 C ATOM 99 OG1 THR A 537 -4.067 3.185 -8.585 1.00 0.00 O ATOM 100 CG2 THR A 537 -3.417 0.950 -8.718 1.00 0.00 C ATOM 0 H THR A 537 -1.073 4.053 -7.831 1.00 0.00 H new ATOM 0 HA THR A 537 -3.239 2.589 -6.405 1.00 0.00 H new ATOM 0 HB THR A 537 -2.099 2.578 -9.216 1.00 0.00 H new ATOM 0 HG1 THR A 537 -4.464 3.099 -9.477 1.00 0.00 H new ATOM 0 HG21 THR A 537 -3.770 0.842 -9.744 1.00 0.00 H new ATOM 0 HG22 THR A 537 -2.613 0.238 -8.534 1.00 0.00 H new ATOM 0 HG23 THR A 537 -4.239 0.755 -8.029 1.00 0.00 H new ATOM 108 N VAL A 538 -1.919 0.779 -5.573 1.00 0.00 N ATOM 109 CA VAL A 538 -1.141 -0.307 -5.002 1.00 0.00 C ATOM 110 C VAL A 538 -1.982 -1.585 -4.997 1.00 0.00 C ATOM 111 O VAL A 538 -3.101 -1.594 -4.485 1.00 0.00 O ATOM 112 CB VAL A 538 -0.640 0.084 -3.610 1.00 0.00 C ATOM 113 CG1 VAL A 538 0.669 -0.634 -3.276 1.00 0.00 C ATOM 114 CG2 VAL A 538 -0.479 1.601 -3.492 1.00 0.00 C ATOM 0 H VAL A 538 -2.826 0.932 -5.132 1.00 0.00 H new ATOM 0 HA VAL A 538 -0.257 -0.503 -5.609 1.00 0.00 H new ATOM 0 HB VAL A 538 -1.389 -0.231 -2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 538 1.003 -0.338 -2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 538 0.509 -1.712 -3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 538 1.429 -0.364 -4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 538 -0.122 1.852 -2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 538 0.241 1.949 -4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 538 -1.441 2.084 -3.666 1.00 0.00 H new ATOM 124 N TYR A 539 -1.413 -2.633 -5.574 1.00 0.00 N ATOM 125 CA TYR A 539 -2.097 -3.913 -5.642 1.00 0.00 C ATOM 126 C TYR A 539 -1.421 -4.944 -4.737 1.00 0.00 C ATOM 127 O TYR A 539 -0.209 -5.137 -4.806 1.00 0.00 O ATOM 128 CB TYR A 539 -1.981 -4.375 -7.096 1.00 0.00 C ATOM 129 CG TYR A 539 -3.242 -4.133 -7.928 1.00 0.00 C ATOM 130 CD1 TYR A 539 -3.486 -2.884 -8.464 1.00 0.00 C ATOM 131 CD2 TYR A 539 -4.135 -5.162 -8.144 1.00 0.00 C ATOM 132 CE1 TYR A 539 -4.673 -2.656 -9.247 1.00 0.00 C ATOM 133 CE2 TYR A 539 -5.322 -4.934 -8.927 1.00 0.00 C ATOM 134 CZ TYR A 539 -5.532 -3.692 -9.440 1.00 0.00 C ATOM 135 OH TYR A 539 -6.653 -3.477 -10.179 1.00 0.00 O ATOM 0 H TYR A 539 -0.486 -2.622 -5.999 1.00 0.00 H new ATOM 0 HA TYR A 539 -3.132 -3.813 -5.316 1.00 0.00 H new ATOM 0 HB2 TYR A 539 -1.144 -3.858 -7.565 1.00 0.00 H new ATOM 0 HB3 TYR A 539 -1.747 -5.439 -7.111 1.00 0.00 H new ATOM 0 HD1 TYR A 539 -2.787 -2.078 -8.296 1.00 0.00 H new ATOM 0 HD2 TYR A 539 -3.944 -6.139 -7.726 1.00 0.00 H new ATOM 0 HE1 TYR A 539 -4.876 -1.684 -9.671 1.00 0.00 H new ATOM 0 HE2 TYR A 539 -6.029 -5.731 -9.103 1.00 0.00 H new ATOM 0 HH TYR A 539 -7.046 -4.337 -10.436 1.00 0.00 H new ATOM 145 N TYR A 540 -2.236 -5.580 -3.908 1.00 0.00 N ATOM 146 CA TYR A 540 -1.733 -6.588 -2.989 1.00 0.00 C ATOM 147 C TYR A 540 -2.384 -7.946 -3.255 1.00 0.00 C ATOM 148 O TYR A 540 -3.585 -8.024 -3.509 1.00 0.00 O ATOM 149 CB TYR A 540 -2.124 -6.113 -1.588 1.00 0.00 C ATOM 150 CG TYR A 540 -2.058 -7.207 -0.520 1.00 0.00 C ATOM 151 CD1 TYR A 540 -0.994 -8.086 -0.497 1.00 0.00 C ATOM 152 CD2 TYR A 540 -3.062 -7.315 0.420 1.00 0.00 C ATOM 153 CE1 TYR A 540 -0.932 -9.115 0.508 1.00 0.00 C ATOM 154 CE2 TYR A 540 -3.000 -8.344 1.425 1.00 0.00 C ATOM 155 CZ TYR A 540 -1.938 -9.193 1.420 1.00 0.00 C ATOM 156 OH TYR A 540 -1.880 -10.165 2.369 1.00 0.00 O ATOM 0 H TYR A 540 -3.241 -5.417 -3.853 1.00 0.00 H new ATOM 0 HA TYR A 540 -0.656 -6.709 -3.104 1.00 0.00 H new ATOM 0 HB2 TYR A 540 -1.466 -5.294 -1.296 1.00 0.00 H new ATOM 0 HB3 TYR A 540 -3.137 -5.712 -1.621 1.00 0.00 H new ATOM 0 HD1 TYR A 540 -0.208 -8.002 -1.233 1.00 0.00 H new ATOM 0 HD2 TYR A 540 -3.895 -6.627 0.402 1.00 0.00 H new ATOM 0 HE1 TYR A 540 -0.105 -9.809 0.537 1.00 0.00 H new ATOM 0 HE2 TYR A 540 -3.780 -8.439 2.166 1.00 0.00 H new ATOM 0 HH TYR A 540 -1.403 -9.826 3.155 1.00 0.00 H new ATOM 166 N LYS A 541 -1.563 -8.984 -3.187 1.00 0.00 N ATOM 167 CA LYS A 541 -2.044 -10.335 -3.417 1.00 0.00 C ATOM 168 C LYS A 541 -2.413 -10.976 -2.078 1.00 0.00 C ATOM 169 O LYS A 541 -1.640 -10.915 -1.123 1.00 0.00 O ATOM 170 CB LYS A 541 -1.020 -11.139 -4.222 1.00 0.00 C ATOM 171 CG LYS A 541 -1.638 -12.431 -4.760 1.00 0.00 C ATOM 172 CD LYS A 541 -0.676 -13.143 -5.713 1.00 0.00 C ATOM 173 CE LYS A 541 -0.521 -14.618 -5.335 1.00 0.00 C ATOM 174 NZ LYS A 541 -1.524 -15.443 -6.045 1.00 0.00 N ATOM 0 H LYS A 541 -0.567 -8.916 -2.976 1.00 0.00 H new ATOM 0 HA LYS A 541 -2.950 -10.318 -4.023 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -0.649 -10.536 -5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 541 -0.163 -11.376 -3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -1.889 -13.092 -3.930 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -2.569 -12.204 -5.280 1.00 0.00 H new ATOM 0 HD2 LYS A 541 -1.045 -13.063 -6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 541 0.297 -12.653 -5.686 1.00 0.00 H new ATOM 0 HE2 LYS A 541 0.483 -14.960 -5.585 1.00 0.00 H new ATOM 0 HE3 LYS A 541 -0.639 -14.738 -4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 -1.405 -16.441 -5.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 -2.480 -15.127 -5.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 -1.393 -15.342 -7.072 1.00 0.00 H new ATOM 187 N LYS A 542 -3.595 -11.575 -2.050 1.00 0.00 N ATOM 188 CA LYS A 542 -4.075 -12.225 -0.843 1.00 0.00 C ATOM 189 C LYS A 542 -3.436 -13.610 -0.726 1.00 0.00 C ATOM 190 O LYS A 542 -3.330 -14.334 -1.715 1.00 0.00 O ATOM 191 CB LYS A 542 -5.605 -12.250 -0.821 1.00 0.00 C ATOM 192 CG LYS A 542 -6.122 -13.179 0.280 1.00 0.00 C ATOM 193 CD LYS A 542 -6.742 -12.378 1.426 1.00 0.00 C ATOM 194 CE LYS A 542 -7.795 -11.398 0.904 1.00 0.00 C ATOM 195 NZ LYS A 542 -8.987 -11.402 1.782 1.00 0.00 N ATOM 0 H LYS A 542 -4.234 -11.624 -2.844 1.00 0.00 H new ATOM 0 HA LYS A 542 -3.775 -11.660 0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 542 -5.987 -11.242 -0.660 1.00 0.00 H new ATOM 0 HB3 LYS A 542 -5.981 -12.582 -1.789 1.00 0.00 H new ATOM 0 HG2 LYS A 542 -6.864 -13.862 -0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 542 -5.303 -13.790 0.660 1.00 0.00 H new ATOM 0 HD2 LYS A 542 -7.198 -13.059 2.145 1.00 0.00 H new ATOM 0 HD3 LYS A 542 -5.962 -11.831 1.956 1.00 0.00 H new ATOM 0 HE2 LYS A 542 -7.374 -10.394 0.857 1.00 0.00 H new ATOM 0 HE3 LYS A 542 -8.083 -11.671 -0.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 542 -9.692 -10.732 1.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 542 -9.397 -12.357 1.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 542 -8.711 -11.120 2.744 1.00 0.00 H new ATOM 208 N GLY A 543 -3.027 -13.938 0.491 1.00 0.00 N ATOM 209 CA GLY A 543 -3.191 -13.022 1.607 1.00 0.00 C ATOM 210 C GLY A 543 -3.255 -13.781 2.934 1.00 0.00 C ATOM 211 O GLY A 543 -2.437 -14.663 3.189 1.00 0.00 O ATOM 0 H GLY A 543 -2.583 -14.825 0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 543 -2.361 -12.316 1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 543 -4.102 -12.439 1.473 1.00 0.00 H new ATOM 215 N PHE A 544 -4.236 -13.409 3.744 1.00 0.00 N ATOM 216 CA PHE A 544 -4.418 -14.044 5.038 1.00 0.00 C ATOM 217 C PHE A 544 -5.884 -13.996 5.472 1.00 0.00 C ATOM 218 O PHE A 544 -6.622 -14.963 5.287 1.00 0.00 O ATOM 219 CB PHE A 544 -3.575 -13.258 6.045 1.00 0.00 C ATOM 220 CG PHE A 544 -2.287 -13.967 6.466 1.00 0.00 C ATOM 221 CD1 PHE A 544 -2.343 -15.040 7.300 1.00 0.00 C ATOM 222 CD2 PHE A 544 -1.085 -13.524 6.007 1.00 0.00 C ATOM 223 CE1 PHE A 544 -1.147 -15.698 7.692 1.00 0.00 C ATOM 224 CE2 PHE A 544 0.111 -14.183 6.398 1.00 0.00 C ATOM 225 CZ PHE A 544 0.055 -15.255 7.233 1.00 0.00 C ATOM 0 H PHE A 544 -4.912 -12.676 3.529 1.00 0.00 H new ATOM 0 HA PHE A 544 -4.117 -15.090 4.984 1.00 0.00 H new ATOM 0 HB2 PHE A 544 -3.320 -12.290 5.613 1.00 0.00 H new ATOM 0 HB3 PHE A 544 -4.177 -13.062 6.933 1.00 0.00 H new ATOM 0 HD1 PHE A 544 -3.297 -15.392 7.664 1.00 0.00 H new ATOM 0 HD2 PHE A 544 -1.040 -12.671 5.346 1.00 0.00 H new ATOM 0 HE1 PHE A 544 -1.191 -16.550 8.354 1.00 0.00 H new ATOM 0 HE2 PHE A 544 1.065 -13.833 6.032 1.00 0.00 H new ATOM 0 HZ PHE A 544 0.965 -15.755 7.532 1.00 0.00 H new ATOM 235 N ASN A 545 -6.263 -12.860 6.039 1.00 0.00 N ATOM 236 CA ASN A 545 -7.629 -12.673 6.500 1.00 0.00 C ATOM 237 C ASN A 545 -8.017 -11.201 6.348 1.00 0.00 C ATOM 238 O ASN A 545 -8.900 -10.712 7.051 1.00 0.00 O ATOM 239 CB ASN A 545 -7.768 -13.049 7.977 1.00 0.00 C ATOM 240 CG ASN A 545 -7.049 -14.365 8.278 1.00 0.00 C ATOM 241 OD1 ASN A 545 -7.574 -15.449 8.080 1.00 0.00 O ATOM 242 ND2 ASN A 545 -5.822 -14.212 8.767 1.00 0.00 N ATOM 0 H ASN A 545 -5.649 -12.060 6.190 1.00 0.00 H new ATOM 0 HA ASN A 545 -8.277 -13.314 5.902 1.00 0.00 H new ATOM 0 HB2 ASN A 545 -7.355 -12.255 8.599 1.00 0.00 H new ATOM 0 HB3 ASN A 545 -8.823 -13.140 8.235 1.00 0.00 H new ATOM 0 HD21 ASN A 545 -5.260 -15.031 9.001 1.00 0.00 H new ATOM 0 HD22 ASN A 545 -5.442 -13.276 8.908 1.00 0.00 H new ATOM 249 N SER A 546 -7.337 -10.536 5.425 1.00 0.00 N ATOM 250 CA SER A 546 -7.600 -9.129 5.172 1.00 0.00 C ATOM 251 C SER A 546 -6.709 -8.262 6.063 1.00 0.00 C ATOM 252 O SER A 546 -7.188 -7.644 7.013 1.00 0.00 O ATOM 253 CB SER A 546 -9.074 -8.793 5.407 1.00 0.00 C ATOM 254 OG SER A 546 -9.933 -9.863 5.025 1.00 0.00 O ATOM 0 H SER A 546 -6.605 -10.945 4.844 1.00 0.00 H new ATOM 0 HA SER A 546 -7.370 -8.921 4.127 1.00 0.00 H new ATOM 0 HB2 SER A 546 -9.230 -8.562 6.461 1.00 0.00 H new ATOM 0 HB3 SER A 546 -9.336 -7.898 4.842 1.00 0.00 H new ATOM 0 HG SER A 546 -10.203 -10.366 5.822 1.00 0.00 H new ATOM 260 N PRO A 547 -5.394 -8.242 5.716 1.00 0.00 N ATOM 261 CA PRO A 547 -4.432 -7.460 6.474 1.00 0.00 C ATOM 262 C PRO A 547 -4.571 -5.968 6.163 1.00 0.00 C ATOM 263 O PRO A 547 -4.953 -5.594 5.055 1.00 0.00 O ATOM 264 CB PRO A 547 -3.074 -8.023 6.085 1.00 0.00 C ATOM 265 CG PRO A 547 -3.293 -8.779 4.784 1.00 0.00 C ATOM 266 CD PRO A 547 -4.791 -8.961 4.598 1.00 0.00 C ATOM 0 HA PRO A 547 -4.586 -7.533 7.551 1.00 0.00 H new ATOM 0 HB2 PRO A 547 -2.343 -7.225 5.955 1.00 0.00 H new ATOM 0 HB3 PRO A 547 -2.689 -8.684 6.861 1.00 0.00 H new ATOM 0 HG2 PRO A 547 -2.868 -8.227 3.945 1.00 0.00 H new ATOM 0 HG3 PRO A 547 -2.792 -9.746 4.815 1.00 0.00 H new ATOM 0 HD2 PRO A 547 -5.123 -8.557 3.642 1.00 0.00 H new ATOM 0 HD3 PRO A 547 -5.066 -10.016 4.611 1.00 0.00 H new ATOM 274 N TYR A 548 -4.255 -5.157 7.161 1.00 0.00 N ATOM 275 CA TYR A 548 -4.340 -3.714 7.009 1.00 0.00 C ATOM 276 C TYR A 548 -3.007 -3.133 6.535 1.00 0.00 C ATOM 277 O TYR A 548 -1.956 -3.742 6.730 1.00 0.00 O ATOM 278 CB TYR A 548 -4.659 -3.161 8.399 1.00 0.00 C ATOM 279 CG TYR A 548 -6.154 -2.980 8.670 1.00 0.00 C ATOM 280 CD1 TYR A 548 -6.924 -4.063 9.041 1.00 0.00 C ATOM 281 CD2 TYR A 548 -6.732 -1.733 8.542 1.00 0.00 C ATOM 282 CE1 TYR A 548 -8.332 -3.892 9.295 1.00 0.00 C ATOM 283 CE2 TYR A 548 -8.139 -1.562 8.796 1.00 0.00 C ATOM 284 CZ TYR A 548 -8.869 -2.650 9.160 1.00 0.00 C ATOM 285 OH TYR A 548 -10.198 -2.489 9.400 1.00 0.00 O ATOM 0 H TYR A 548 -3.939 -5.471 8.079 1.00 0.00 H new ATOM 0 HA TYR A 548 -5.097 -3.450 6.271 1.00 0.00 H new ATOM 0 HB2 TYR A 548 -4.243 -3.833 9.150 1.00 0.00 H new ATOM 0 HB3 TYR A 548 -4.160 -2.200 8.519 1.00 0.00 H new ATOM 0 HD1 TYR A 548 -6.472 -5.039 9.141 1.00 0.00 H new ATOM 0 HD2 TYR A 548 -6.129 -0.886 8.251 1.00 0.00 H new ATOM 0 HE1 TYR A 548 -8.947 -4.731 9.586 1.00 0.00 H new ATOM 0 HE2 TYR A 548 -8.604 -0.592 8.700 1.00 0.00 H new ATOM 0 HH TYR A 548 -10.443 -1.550 9.266 1.00 0.00 H new ATOM 295 N ILE A 549 -3.093 -1.962 5.922 1.00 0.00 N ATOM 296 CA ILE A 549 -1.906 -1.291 5.419 1.00 0.00 C ATOM 297 C ILE A 549 -1.852 0.131 5.980 1.00 0.00 C ATOM 298 O ILE A 549 -2.887 0.770 6.161 1.00 0.00 O ATOM 299 CB ILE A 549 -1.864 -1.351 3.890 1.00 0.00 C ATOM 300 CG1 ILE A 549 -1.966 -2.795 3.395 1.00 0.00 C ATOM 301 CG2 ILE A 549 -0.620 -0.645 3.348 1.00 0.00 C ATOM 302 CD1 ILE A 549 -1.403 -2.930 1.978 1.00 0.00 C ATOM 0 H ILE A 549 -3.967 -1.460 5.762 1.00 0.00 H new ATOM 0 HA ILE A 549 -1.006 -1.803 5.760 1.00 0.00 H new ATOM 0 HB ILE A 549 -2.731 -0.817 3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -1.421 -3.454 4.071 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -3.008 -3.115 3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -0.614 -0.702 2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -0.632 0.400 3.656 1.00 0.00 H new ATOM 0 HG23 ILE A 549 0.274 -1.129 3.741 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -1.488 -3.966 1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -1.966 -2.288 1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -0.354 -2.632 1.973 1.00 0.00 H new ATOM 314 N HIS A 550 -0.635 0.584 6.241 1.00 0.00 N ATOM 315 CA HIS A 550 -0.432 1.918 6.779 1.00 0.00 C ATOM 316 C HIS A 550 0.613 2.656 5.940 1.00 0.00 C ATOM 317 O HIS A 550 1.772 2.247 5.886 1.00 0.00 O ATOM 318 CB HIS A 550 -0.066 1.857 8.263 1.00 0.00 C ATOM 319 CG HIS A 550 -0.175 3.182 8.978 1.00 0.00 C ATOM 320 ND1 HIS A 550 -1.016 4.196 8.553 1.00 0.00 N ATOM 321 CD2 HIS A 550 0.457 3.648 10.093 1.00 0.00 C ATOM 322 CE1 HIS A 550 -0.886 5.222 9.382 1.00 0.00 C ATOM 323 NE2 HIS A 550 0.028 4.880 10.335 1.00 0.00 N ATOM 0 H HIS A 550 0.221 0.050 6.090 1.00 0.00 H new ATOM 0 HA HIS A 550 -1.362 2.483 6.718 1.00 0.00 H new ATOM 0 HB2 HIS A 550 -0.716 1.135 8.757 1.00 0.00 H new ATOM 0 HB3 HIS A 550 0.955 1.487 8.360 1.00 0.00 H new ATOM 0 HD1 HIS A 550 -1.631 4.160 7.740 1.00 0.00 H new ATOM 0 HD2 HIS A 550 1.184 3.106 10.680 1.00 0.00 H new ATOM 0 HE1 HIS A 550 -1.411 6.163 9.315 1.00 0.00 H new ATOM 331 N TYR A 551 0.166 3.731 5.307 1.00 0.00 N ATOM 332 CA TYR A 551 1.049 4.529 4.473 1.00 0.00 C ATOM 333 C TYR A 551 1.024 5.999 4.899 1.00 0.00 C ATOM 334 O TYR A 551 0.079 6.445 5.548 1.00 0.00 O ATOM 335 CB TYR A 551 0.502 4.414 3.049 1.00 0.00 C ATOM 336 CG TYR A 551 -0.905 3.819 2.969 1.00 0.00 C ATOM 337 CD1 TYR A 551 -2.000 4.588 3.306 1.00 0.00 C ATOM 338 CD2 TYR A 551 -1.079 2.513 2.559 1.00 0.00 C ATOM 339 CE1 TYR A 551 -3.324 4.028 3.230 1.00 0.00 C ATOM 340 CE2 TYR A 551 -2.403 1.952 2.483 1.00 0.00 C ATOM 341 CZ TYR A 551 -3.460 2.737 2.823 1.00 0.00 C ATOM 342 OH TYR A 551 -4.711 2.208 2.751 1.00 0.00 O ATOM 0 H TYR A 551 -0.796 4.068 5.355 1.00 0.00 H new ATOM 0 HA TYR A 551 2.077 4.177 4.555 1.00 0.00 H new ATOM 0 HB2 TYR A 551 0.493 5.404 2.593 1.00 0.00 H new ATOM 0 HB3 TYR A 551 1.180 3.798 2.459 1.00 0.00 H new ATOM 0 HD1 TYR A 551 -1.864 5.610 3.627 1.00 0.00 H new ATOM 0 HD2 TYR A 551 -0.222 1.911 2.295 1.00 0.00 H new ATOM 0 HE1 TYR A 551 -4.190 4.619 3.490 1.00 0.00 H new ATOM 0 HE2 TYR A 551 -2.553 0.931 2.163 1.00 0.00 H new ATOM 0 HH TYR A 551 -4.656 1.279 2.445 1.00 0.00 H new ATOM 352 N ARG A 552 2.074 6.711 4.516 1.00 0.00 N ATOM 353 CA ARG A 552 2.184 8.120 4.850 1.00 0.00 C ATOM 354 C ARG A 552 2.702 8.912 3.648 1.00 0.00 C ATOM 355 O ARG A 552 3.684 8.522 3.019 1.00 0.00 O ATOM 356 CB ARG A 552 3.127 8.333 6.036 1.00 0.00 C ATOM 357 CG ARG A 552 3.975 9.592 5.843 1.00 0.00 C ATOM 358 CD ARG A 552 5.053 9.698 6.924 1.00 0.00 C ATOM 359 NE ARG A 552 4.507 10.377 8.120 1.00 0.00 N ATOM 360 CZ ARG A 552 5.261 10.826 9.146 1.00 0.00 C ATOM 361 NH1 ARG A 552 6.602 10.672 9.129 1.00 0.00 N ATOM 362 NH2 ARG A 552 4.667 11.418 10.165 1.00 0.00 N ATOM 0 H ARG A 552 2.856 6.338 3.978 1.00 0.00 H new ATOM 0 HA ARG A 552 1.190 8.474 5.122 1.00 0.00 H new ATOM 0 HB2 ARG A 552 2.547 8.418 6.955 1.00 0.00 H new ATOM 0 HB3 ARG A 552 3.778 7.466 6.148 1.00 0.00 H new ATOM 0 HG2 ARG A 552 4.443 9.572 4.859 1.00 0.00 H new ATOM 0 HG3 ARG A 552 3.335 10.474 5.874 1.00 0.00 H new ATOM 0 HD2 ARG A 552 5.410 8.703 7.192 1.00 0.00 H new ATOM 0 HD3 ARG A 552 5.910 10.252 6.541 1.00 0.00 H new ATOM 0 HE ARG A 552 3.498 10.514 8.173 1.00 0.00 H new ATOM 0 HH11 ARG A 552 7.053 10.214 8.337 1.00 0.00 H new ATOM 0 HH12 ARG A 552 7.165 11.014 9.908 1.00 0.00 H new ATOM 0 HH21 ARG A 552 3.653 11.530 10.169 1.00 0.00 H new ATOM 0 HH22 ARG A 552 5.222 11.763 10.948 1.00 0.00 H new ATOM 375 N PRO A 553 1.999 10.039 3.356 1.00 0.00 N ATOM 376 CA PRO A 553 2.377 10.889 2.239 1.00 0.00 C ATOM 377 C PRO A 553 3.623 11.711 2.574 1.00 0.00 C ATOM 378 O PRO A 553 3.951 11.900 3.745 1.00 0.00 O ATOM 379 CB PRO A 553 1.154 11.749 1.967 1.00 0.00 C ATOM 380 CG PRO A 553 0.306 11.678 3.227 1.00 0.00 C ATOM 381 CD PRO A 553 0.829 10.532 4.077 1.00 0.00 C ATOM 0 HA PRO A 553 2.652 10.320 1.351 1.00 0.00 H new ATOM 0 HB2 PRO A 553 1.441 12.777 1.747 1.00 0.00 H new ATOM 0 HB3 PRO A 553 0.601 11.380 1.103 1.00 0.00 H new ATOM 0 HG2 PRO A 553 0.361 12.617 3.777 1.00 0.00 H new ATOM 0 HG3 PRO A 553 -0.742 11.518 2.973 1.00 0.00 H new ATOM 0 HD2 PRO A 553 1.095 10.871 5.078 1.00 0.00 H new ATOM 0 HD3 PRO A 553 0.078 9.751 4.194 1.00 0.00 H new ATOM 389 N ALA A 554 4.284 12.179 1.526 1.00 0.00 N ATOM 390 CA ALA A 554 5.487 12.977 1.694 1.00 0.00 C ATOM 391 C ALA A 554 5.251 14.023 2.784 1.00 0.00 C ATOM 392 O ALA A 554 6.193 14.467 3.438 1.00 0.00 O ATOM 393 CB ALA A 554 5.873 13.607 0.354 1.00 0.00 C ATOM 0 H ALA A 554 4.009 12.021 0.556 1.00 0.00 H new ATOM 0 HA ALA A 554 6.321 12.352 2.012 1.00 0.00 H new ATOM 0 HB1 ALA A 554 6.775 14.206 0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 554 6.058 12.821 -0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 554 5.061 14.244 0.004 1.00 0.00 H new ATOM 399 N GLY A 555 3.987 14.388 2.947 1.00 0.00 N ATOM 400 CA GLY A 555 3.616 15.374 3.947 1.00 0.00 C ATOM 401 C GLY A 555 4.001 14.904 5.351 1.00 0.00 C ATOM 402 O GLY A 555 4.102 15.711 6.274 1.00 0.00 O ATOM 0 H GLY A 555 3.207 14.018 2.403 1.00 0.00 H new ATOM 0 HA2 GLY A 555 4.109 16.321 3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 555 2.542 15.556 3.902 1.00 0.00 H new ATOM 406 N GLY A 556 4.207 13.600 5.467 1.00 0.00 N ATOM 407 CA GLY A 556 4.579 13.013 6.743 1.00 0.00 C ATOM 408 C GLY A 556 3.347 12.780 7.620 1.00 0.00 C ATOM 409 O GLY A 556 3.385 13.020 8.826 1.00 0.00 O ATOM 0 H GLY A 556 4.123 12.934 4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 556 5.095 12.067 6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 556 5.278 13.670 7.260 1.00 0.00 H new ATOM 413 N SER A 557 2.284 12.316 6.980 1.00 0.00 N ATOM 414 CA SER A 557 1.043 12.049 7.687 1.00 0.00 C ATOM 415 C SER A 557 0.794 10.541 7.757 1.00 0.00 C ATOM 416 O SER A 557 1.003 9.828 6.776 1.00 0.00 O ATOM 417 CB SER A 557 -0.138 12.751 7.012 1.00 0.00 C ATOM 418 OG SER A 557 0.267 13.493 5.866 1.00 0.00 O ATOM 0 H SER A 557 2.256 12.118 5.980 1.00 0.00 H new ATOM 0 HA SER A 557 1.135 12.443 8.699 1.00 0.00 H new ATOM 0 HB2 SER A 557 -0.882 12.010 6.720 1.00 0.00 H new ATOM 0 HB3 SER A 557 -0.618 13.420 7.726 1.00 0.00 H new ATOM 0 HG SER A 557 -0.515 13.925 5.463 1.00 0.00 H new ATOM 424 N TRP A 558 0.353 10.099 8.925 1.00 0.00 N ATOM 425 CA TRP A 558 0.074 8.689 9.135 1.00 0.00 C ATOM 426 C TRP A 558 -1.401 8.550 9.517 1.00 0.00 C ATOM 427 O TRP A 558 -1.780 8.822 10.656 1.00 0.00 O ATOM 428 CB TRP A 558 1.020 8.093 10.179 1.00 0.00 C ATOM 429 CG TRP A 558 2.449 7.880 9.675 1.00 0.00 C ATOM 430 CD1 TRP A 558 3.539 8.607 9.955 1.00 0.00 C ATOM 431 CD2 TRP A 558 2.900 6.836 8.786 1.00 0.00 C ATOM 432 NE1 TRP A 558 4.656 8.110 9.313 1.00 0.00 N ATOM 433 CE2 TRP A 558 4.255 7.000 8.580 1.00 0.00 C ATOM 434 CE3 TRP A 558 2.187 5.789 8.176 1.00 0.00 C ATOM 435 CZ2 TRP A 558 5.014 6.153 7.764 1.00 0.00 C ATOM 436 CZ3 TRP A 558 2.960 4.952 7.363 1.00 0.00 C ATOM 437 CH2 TRP A 558 4.325 5.102 7.145 1.00 0.00 C ATOM 0 H TRP A 558 0.182 10.693 9.736 1.00 0.00 H new ATOM 0 HA TRP A 558 0.252 8.121 8.222 1.00 0.00 H new ATOM 0 HB2 TRP A 558 1.046 8.751 11.048 1.00 0.00 H new ATOM 0 HB3 TRP A 558 0.618 7.137 10.515 1.00 0.00 H new ATOM 0 HD1 TRP A 558 3.543 9.472 10.601 1.00 0.00 H new ATOM 0 HE1 TRP A 558 5.602 8.488 9.367 1.00 0.00 H new ATOM 0 HE3 TRP A 558 1.127 5.642 8.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 558 6.074 6.302 7.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 558 2.461 4.131 6.870 1.00 0.00 H new ATOM 0 HH2 TRP A 558 4.851 4.412 6.502 1.00 0.00 H new ATOM 448 N THR A 559 -2.195 8.128 8.544 1.00 0.00 N ATOM 449 CA THR A 559 -3.620 7.950 8.763 1.00 0.00 C ATOM 450 C THR A 559 -3.869 7.224 10.087 1.00 0.00 C ATOM 451 O THR A 559 -2.930 6.748 10.724 1.00 0.00 O ATOM 452 CB THR A 559 -4.197 7.218 7.551 1.00 0.00 C ATOM 453 OG1 THR A 559 -4.076 8.158 6.487 1.00 0.00 O ATOM 454 CG2 THR A 559 -5.705 6.985 7.671 1.00 0.00 C ATOM 0 H THR A 559 -1.878 7.904 7.601 1.00 0.00 H new ATOM 0 HA THR A 559 -4.129 8.909 8.853 1.00 0.00 H new ATOM 0 HB THR A 559 -3.690 6.261 7.430 1.00 0.00 H new ATOM 0 HG1 THR A 559 -4.426 7.764 5.661 1.00 0.00 H new ATOM 0 HG21 THR A 559 -6.064 6.462 6.785 1.00 0.00 H new ATOM 0 HG22 THR A 559 -5.911 6.383 8.556 1.00 0.00 H new ATOM 0 HG23 THR A 559 -6.216 7.944 7.758 1.00 0.00 H new ATOM 462 N ALA A 560 -5.138 7.161 10.461 1.00 0.00 N ATOM 463 CA ALA A 560 -5.522 6.501 11.697 1.00 0.00 C ATOM 464 C ALA A 560 -5.119 5.027 11.629 1.00 0.00 C ATOM 465 O ALA A 560 -5.734 4.244 10.907 1.00 0.00 O ATOM 466 CB ALA A 560 -7.024 6.685 11.929 1.00 0.00 C ATOM 0 H ALA A 560 -5.914 7.556 9.930 1.00 0.00 H new ATOM 0 HA ALA A 560 -5.004 6.946 12.547 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -7.312 6.190 12.856 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -7.254 7.748 11.999 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -7.577 6.248 11.097 1.00 0.00 H new ATOM 472 N ALA A 561 -4.088 4.693 12.392 1.00 0.00 N ATOM 473 CA ALA A 561 -3.595 3.326 12.427 1.00 0.00 C ATOM 474 C ALA A 561 -4.679 2.413 13.003 1.00 0.00 C ATOM 475 O ALA A 561 -5.272 2.722 14.036 1.00 0.00 O ATOM 476 CB ALA A 561 -2.297 3.273 13.235 1.00 0.00 C ATOM 0 H ALA A 561 -3.581 5.345 12.990 1.00 0.00 H new ATOM 0 HA ALA A 561 -3.367 2.973 11.421 1.00 0.00 H new ATOM 0 HB1 ALA A 561 -1.927 2.248 13.262 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -1.551 3.916 12.768 1.00 0.00 H new ATOM 0 HB3 ALA A 561 -2.487 3.617 14.252 1.00 0.00 H new ATOM 482 N PRO A 562 -4.911 1.277 12.292 1.00 0.00 N ATOM 483 CA PRO A 562 -4.165 0.988 11.080 1.00 0.00 C ATOM 484 C PRO A 562 -4.650 1.856 9.917 1.00 0.00 C ATOM 485 O PRO A 562 -5.837 2.162 9.819 1.00 0.00 O ATOM 486 CB PRO A 562 -4.370 -0.499 10.837 1.00 0.00 C ATOM 487 CG PRO A 562 -5.593 -0.889 11.651 1.00 0.00 C ATOM 488 CD PRO A 562 -5.887 0.242 12.623 1.00 0.00 C ATOM 0 HA PRO A 562 -3.104 1.221 11.174 1.00 0.00 H new ATOM 0 HB2 PRO A 562 -4.524 -0.704 9.778 1.00 0.00 H new ATOM 0 HB3 PRO A 562 -3.495 -1.070 11.148 1.00 0.00 H new ATOM 0 HG2 PRO A 562 -6.448 -1.062 10.997 1.00 0.00 H new ATOM 0 HG3 PRO A 562 -5.412 -1.819 12.191 1.00 0.00 H new ATOM 0 HD2 PRO A 562 -6.907 0.608 12.508 1.00 0.00 H new ATOM 0 HD3 PRO A 562 -5.781 -0.086 13.657 1.00 0.00 H new ATOM 496 N GLY A 563 -3.706 2.229 9.065 1.00 0.00 N ATOM 497 CA GLY A 563 -4.022 3.056 7.913 1.00 0.00 C ATOM 498 C GLY A 563 -5.432 2.761 7.397 1.00 0.00 C ATOM 499 O GLY A 563 -6.415 3.252 7.950 1.00 0.00 O ATOM 0 H GLY A 563 -2.722 1.974 9.150 1.00 0.00 H new ATOM 0 HA2 GLY A 563 -3.943 4.109 8.184 1.00 0.00 H new ATOM 0 HA3 GLY A 563 -3.296 2.875 7.121 1.00 0.00 H new ATOM 503 N VAL A 564 -5.486 1.961 6.342 1.00 0.00 N ATOM 504 CA VAL A 564 -6.759 1.595 5.745 1.00 0.00 C ATOM 505 C VAL A 564 -6.744 0.106 5.394 1.00 0.00 C ATOM 506 O VAL A 564 -5.678 -0.486 5.231 1.00 0.00 O ATOM 507 CB VAL A 564 -7.048 2.491 4.539 1.00 0.00 C ATOM 508 CG1 VAL A 564 -8.555 2.666 4.334 1.00 0.00 C ATOM 509 CG2 VAL A 564 -6.354 3.847 4.684 1.00 0.00 C ATOM 0 H VAL A 564 -4.669 1.556 5.885 1.00 0.00 H new ATOM 0 HA VAL A 564 -7.572 1.753 6.453 1.00 0.00 H new ATOM 0 HB VAL A 564 -6.644 2.001 3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 564 -8.733 3.307 3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 564 -9.015 1.692 4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 564 -8.992 3.123 5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 564 -6.576 4.464 3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 564 -6.714 4.346 5.584 1.00 0.00 H new ATOM 0 HG23 VAL A 564 -5.277 3.698 4.758 1.00 0.00 H new ATOM 519 N LYS A 565 -7.938 -0.456 5.286 1.00 0.00 N ATOM 520 CA LYS A 565 -8.075 -1.865 4.957 1.00 0.00 C ATOM 521 C LYS A 565 -8.144 -2.025 3.437 1.00 0.00 C ATOM 522 O LYS A 565 -9.154 -1.691 2.819 1.00 0.00 O ATOM 523 CB LYS A 565 -9.270 -2.474 5.694 1.00 0.00 C ATOM 524 CG LYS A 565 -9.217 -4.002 5.656 1.00 0.00 C ATOM 525 CD LYS A 565 -10.081 -4.554 4.521 1.00 0.00 C ATOM 526 CE LYS A 565 -11.164 -5.489 5.061 1.00 0.00 C ATOM 527 NZ LYS A 565 -12.083 -5.900 3.975 1.00 0.00 N ATOM 0 H LYS A 565 -8.820 0.038 5.420 1.00 0.00 H new ATOM 0 HA LYS A 565 -7.202 -2.422 5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -9.276 -2.132 6.729 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -10.198 -2.127 5.239 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -8.186 -4.330 5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -9.561 -4.405 6.608 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -10.544 -3.730 3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -9.453 -5.091 3.810 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -10.703 -6.370 5.508 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -11.725 -4.988 5.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -12.812 -6.535 4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -12.537 -5.058 3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -11.546 -6.397 3.235 1.00 0.00 H new ATOM 540 N MET A 566 -7.056 -2.535 2.878 1.00 0.00 N ATOM 541 CA MET A 566 -6.980 -2.743 1.442 1.00 0.00 C ATOM 542 C MET A 566 -8.351 -3.106 0.867 1.00 0.00 C ATOM 543 O MET A 566 -9.085 -3.897 1.456 1.00 0.00 O ATOM 544 CB MET A 566 -5.986 -3.866 1.141 1.00 0.00 C ATOM 545 CG MET A 566 -4.552 -3.335 1.110 1.00 0.00 C ATOM 546 SD MET A 566 -3.866 -3.523 -0.528 1.00 0.00 S ATOM 547 CE MET A 566 -2.683 -2.187 -0.524 1.00 0.00 C ATOM 0 H MET A 566 -6.220 -2.810 3.394 1.00 0.00 H new ATOM 0 HA MET A 566 -6.646 -1.816 0.976 1.00 0.00 H new ATOM 0 HB2 MET A 566 -6.073 -4.646 1.898 1.00 0.00 H new ATOM 0 HB3 MET A 566 -6.229 -4.324 0.182 1.00 0.00 H new ATOM 0 HG2 MET A 566 -4.538 -2.285 1.401 1.00 0.00 H new ATOM 0 HG3 MET A 566 -3.940 -3.874 1.833 1.00 0.00 H new ATOM 0 HE1 MET A 566 -2.810 -1.586 -1.424 1.00 0.00 H new ATOM 0 HE2 MET A 566 -2.842 -1.563 0.355 1.00 0.00 H new ATOM 0 HE3 MET A 566 -1.673 -2.596 -0.500 1.00 0.00 H new ATOM 557 N GLN A 567 -8.654 -2.510 -0.277 1.00 0.00 N ATOM 558 CA GLN A 567 -9.923 -2.761 -0.938 1.00 0.00 C ATOM 559 C GLN A 567 -9.720 -3.674 -2.148 1.00 0.00 C ATOM 560 O GLN A 567 -8.889 -3.393 -3.010 1.00 0.00 O ATOM 561 CB GLN A 567 -10.597 -1.449 -1.348 1.00 0.00 C ATOM 562 CG GLN A 567 -11.977 -1.317 -0.702 1.00 0.00 C ATOM 563 CD GLN A 567 -12.764 -0.159 -1.322 1.00 0.00 C ATOM 564 OE1 GLN A 567 -12.817 0.013 -2.528 1.00 0.00 O ATOM 565 NE2 GLN A 567 -13.369 0.621 -0.431 1.00 0.00 N ATOM 0 H GLN A 567 -8.042 -1.854 -0.763 1.00 0.00 H new ATOM 0 HA GLN A 567 -10.584 -3.266 -0.233 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -9.971 -0.607 -1.053 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -10.694 -1.409 -2.433 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -12.532 -2.247 -0.827 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -11.867 -1.154 0.370 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -13.283 0.419 0.565 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -13.919 1.421 -0.744 1.00 0.00 H new ATOM 574 N ASP A 568 -10.493 -4.750 -2.174 1.00 0.00 N ATOM 575 CA ASP A 568 -10.409 -5.706 -3.264 1.00 0.00 C ATOM 576 C ASP A 568 -10.279 -4.953 -4.589 1.00 0.00 C ATOM 577 O ASP A 568 -10.797 -3.846 -4.731 1.00 0.00 O ATOM 578 CB ASP A 568 -11.667 -6.574 -3.335 1.00 0.00 C ATOM 579 CG ASP A 568 -11.416 -8.082 -3.286 1.00 0.00 C ATOM 580 OD1 ASP A 568 -11.698 -8.808 -4.252 1.00 0.00 O ATOM 581 OD2 ASP A 568 -10.901 -8.514 -2.185 1.00 0.00 O ATOM 0 H ASP A 568 -11.181 -4.981 -1.457 1.00 0.00 H new ATOM 0 HA ASP A 568 -9.542 -6.342 -3.087 1.00 0.00 H new ATOM 0 HB2 ASP A 568 -12.324 -6.303 -2.508 1.00 0.00 H new ATOM 0 HB3 ASP A 568 -12.200 -6.339 -4.256 1.00 0.00 H new ATOM 587 N ALA A 569 -9.586 -5.583 -5.527 1.00 0.00 N ATOM 588 CA ALA A 569 -9.382 -4.985 -6.835 1.00 0.00 C ATOM 589 C ALA A 569 -10.556 -5.349 -7.746 1.00 0.00 C ATOM 590 O ALA A 569 -11.711 -5.306 -7.323 1.00 0.00 O ATOM 591 CB ALA A 569 -8.039 -5.447 -7.404 1.00 0.00 C ATOM 0 H ALA A 569 -9.159 -6.501 -5.407 1.00 0.00 H new ATOM 0 HA ALA A 569 -9.348 -3.898 -6.759 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -7.886 -4.998 -8.385 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -7.235 -5.139 -6.735 1.00 0.00 H new ATOM 0 HB3 ALA A 569 -8.038 -6.533 -7.497 1.00 0.00 H new ATOM 597 N GLU A 570 -10.221 -5.700 -8.979 1.00 0.00 N ATOM 598 CA GLU A 570 -11.234 -6.071 -9.953 1.00 0.00 C ATOM 599 C GLU A 570 -10.840 -7.370 -10.659 1.00 0.00 C ATOM 600 O GLU A 570 -11.493 -7.783 -11.616 1.00 0.00 O ATOM 601 CB GLU A 570 -11.462 -4.945 -10.963 1.00 0.00 C ATOM 602 CG GLU A 570 -10.237 -4.755 -11.859 1.00 0.00 C ATOM 603 CD GLU A 570 -10.404 -5.505 -13.182 1.00 0.00 C ATOM 604 OE1 GLU A 570 -9.488 -6.225 -13.607 1.00 0.00 O ATOM 605 OE2 GLU A 570 -11.535 -5.321 -13.774 1.00 0.00 O ATOM 0 H GLU A 570 -9.262 -5.735 -9.326 1.00 0.00 H new ATOM 0 HA GLU A 570 -12.174 -6.237 -9.426 1.00 0.00 H new ATOM 0 HB2 GLU A 570 -12.334 -5.173 -11.576 1.00 0.00 H new ATOM 0 HB3 GLU A 570 -11.678 -4.016 -10.435 1.00 0.00 H new ATOM 0 HG2 GLU A 570 -10.087 -3.693 -12.055 1.00 0.00 H new ATOM 0 HG3 GLU A 570 -9.346 -5.113 -11.344 1.00 0.00 H new ATOM 613 N ILE A 571 -9.773 -7.977 -10.160 1.00 0.00 N ATOM 614 CA ILE A 571 -9.285 -9.221 -10.732 1.00 0.00 C ATOM 615 C ILE A 571 -10.067 -10.393 -10.136 1.00 0.00 C ATOM 616 O ILE A 571 -11.051 -10.847 -10.718 1.00 0.00 O ATOM 617 CB ILE A 571 -7.770 -9.336 -10.548 1.00 0.00 C ATOM 618 CG1 ILE A 571 -7.048 -8.154 -11.198 1.00 0.00 C ATOM 619 CG2 ILE A 571 -7.255 -10.679 -11.069 1.00 0.00 C ATOM 620 CD1 ILE A 571 -6.794 -8.416 -12.684 1.00 0.00 C ATOM 0 H ILE A 571 -9.233 -7.631 -9.367 1.00 0.00 H new ATOM 0 HA ILE A 571 -9.455 -9.238 -11.808 1.00 0.00 H new ATOM 0 HB ILE A 571 -7.551 -9.300 -9.481 1.00 0.00 H new ATOM 0 HG12 ILE A 571 -7.645 -7.250 -11.082 1.00 0.00 H new ATOM 0 HG13 ILE A 571 -6.100 -7.978 -10.689 1.00 0.00 H new ATOM 0 HG21 ILE A 571 -6.176 -10.735 -10.926 1.00 0.00 H new ATOM 0 HG22 ILE A 571 -7.736 -11.490 -10.522 1.00 0.00 H new ATOM 0 HG23 ILE A 571 -7.486 -10.770 -12.130 1.00 0.00 H new ATOM 0 HD11 ILE A 571 -6.280 -7.560 -13.122 1.00 0.00 H new ATOM 0 HD12 ILE A 571 -6.176 -9.307 -12.796 1.00 0.00 H new ATOM 0 HD13 ILE A 571 -7.745 -8.568 -13.194 1.00 0.00 H new ATOM 632 N SER A 572 -9.600 -10.850 -8.983 1.00 0.00 N ATOM 633 CA SER A 572 -10.244 -11.960 -8.303 1.00 0.00 C ATOM 634 C SER A 572 -9.363 -12.450 -7.152 1.00 0.00 C ATOM 635 O SER A 572 -8.432 -13.226 -7.364 1.00 0.00 O ATOM 636 CB SER A 572 -10.535 -13.107 -9.273 1.00 0.00 C ATOM 637 OG SER A 572 -11.930 -13.249 -9.528 1.00 0.00 O ATOM 0 H SER A 572 -8.783 -10.471 -8.503 1.00 0.00 H new ATOM 0 HA SER A 572 -11.195 -11.610 -7.902 1.00 0.00 H new ATOM 0 HB2 SER A 572 -10.011 -12.930 -10.212 1.00 0.00 H new ATOM 0 HB3 SER A 572 -10.145 -14.038 -8.861 1.00 0.00 H new ATOM 0 HG SER A 572 -12.247 -12.483 -10.050 1.00 0.00 H new ATOM 643 N GLY A 573 -9.687 -11.977 -5.958 1.00 0.00 N ATOM 644 CA GLY A 573 -8.937 -12.357 -4.773 1.00 0.00 C ATOM 645 C GLY A 573 -7.758 -11.409 -4.543 1.00 0.00 C ATOM 646 O GLY A 573 -6.919 -11.655 -3.678 1.00 0.00 O ATOM 0 H GLY A 573 -10.459 -11.334 -5.785 1.00 0.00 H new ATOM 0 HA2 GLY A 573 -9.594 -12.344 -3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 573 -8.571 -13.378 -4.882 1.00 0.00 H new ATOM 650 N TYR A 574 -7.732 -10.346 -5.333 1.00 0.00 N ATOM 651 CA TYR A 574 -6.670 -9.360 -5.226 1.00 0.00 C ATOM 652 C TYR A 574 -7.162 -8.099 -4.512 1.00 0.00 C ATOM 653 O TYR A 574 -8.364 -7.848 -4.445 1.00 0.00 O ATOM 654 CB TYR A 574 -6.283 -9.000 -6.662 1.00 0.00 C ATOM 655 CG TYR A 574 -4.835 -9.342 -7.020 1.00 0.00 C ATOM 656 CD1 TYR A 574 -3.812 -8.503 -6.631 1.00 0.00 C ATOM 657 CD2 TYR A 574 -4.554 -10.490 -7.733 1.00 0.00 C ATOM 658 CE1 TYR A 574 -2.449 -8.825 -6.968 1.00 0.00 C ATOM 659 CE2 TYR A 574 -3.191 -10.811 -8.071 1.00 0.00 C ATOM 660 CZ TYR A 574 -2.206 -9.963 -7.672 1.00 0.00 C ATOM 661 OH TYR A 574 -0.919 -10.267 -7.990 1.00 0.00 O ATOM 0 H TYR A 574 -8.429 -10.146 -6.050 1.00 0.00 H new ATOM 0 HA TYR A 574 -5.832 -9.759 -4.654 1.00 0.00 H new ATOM 0 HB2 TYR A 574 -6.949 -9.522 -7.349 1.00 0.00 H new ATOM 0 HB3 TYR A 574 -6.442 -7.932 -6.813 1.00 0.00 H new ATOM 0 HD1 TYR A 574 -4.033 -7.605 -6.074 1.00 0.00 H new ATOM 0 HD2 TYR A 574 -5.355 -11.147 -8.037 1.00 0.00 H new ATOM 0 HE1 TYR A 574 -1.638 -8.177 -6.668 1.00 0.00 H new ATOM 0 HE2 TYR A 574 -2.957 -11.705 -8.629 1.00 0.00 H new ATOM 0 HH TYR A 574 -0.896 -11.108 -8.492 1.00 0.00 H new ATOM 671 N ALA A 575 -6.207 -7.339 -3.997 1.00 0.00 N ATOM 672 CA ALA A 575 -6.527 -6.110 -3.291 1.00 0.00 C ATOM 673 C ALA A 575 -5.958 -4.919 -4.064 1.00 0.00 C ATOM 674 O ALA A 575 -4.968 -5.056 -4.782 1.00 0.00 O ATOM 675 CB ALA A 575 -5.989 -6.188 -1.861 1.00 0.00 C ATOM 0 H ALA A 575 -5.211 -7.551 -4.055 1.00 0.00 H new ATOM 0 HA ALA A 575 -7.607 -5.975 -3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 575 -6.229 -5.266 -1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 575 -6.447 -7.032 -1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 575 -4.907 -6.321 -1.886 1.00 0.00 H new ATOM 681 N LYS A 576 -6.608 -3.777 -3.892 1.00 0.00 N ATOM 682 CA LYS A 576 -6.179 -2.563 -4.564 1.00 0.00 C ATOM 683 C LYS A 576 -6.599 -1.349 -3.733 1.00 0.00 C ATOM 684 O LYS A 576 -7.735 -1.274 -3.267 1.00 0.00 O ATOM 685 CB LYS A 576 -6.702 -2.534 -6.002 1.00 0.00 C ATOM 686 CG LYS A 576 -8.049 -1.813 -6.081 1.00 0.00 C ATOM 687 CD LYS A 576 -8.512 -1.673 -7.533 1.00 0.00 C ATOM 688 CE LYS A 576 -8.548 -0.203 -7.957 1.00 0.00 C ATOM 689 NZ LYS A 576 -9.750 0.465 -7.410 1.00 0.00 N ATOM 0 H LYS A 576 -7.429 -3.667 -3.297 1.00 0.00 H new ATOM 0 HA LYS A 576 -5.092 -2.535 -4.643 1.00 0.00 H new ATOM 0 HB2 LYS A 576 -5.979 -2.033 -6.646 1.00 0.00 H new ATOM 0 HB3 LYS A 576 -6.808 -3.553 -6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 576 -8.795 -2.365 -5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 576 -7.965 -0.826 -5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 576 -7.840 -2.228 -8.188 1.00 0.00 H new ATOM 0 HD3 LYS A 576 -9.503 -2.112 -7.647 1.00 0.00 H new ATOM 0 HE2 LYS A 576 -7.650 0.305 -7.605 1.00 0.00 H new ATOM 0 HE3 LYS A 576 -8.549 -0.132 -9.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 576 -9.759 1.462 -7.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 576 -10.604 -0.010 -7.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 576 -9.733 0.414 -6.371 1.00 0.00 H new ATOM 702 N ILE A 577 -5.659 -0.429 -3.572 1.00 0.00 N ATOM 703 CA ILE A 577 -5.917 0.778 -2.805 1.00 0.00 C ATOM 704 C ILE A 577 -5.388 1.989 -3.575 1.00 0.00 C ATOM 705 O ILE A 577 -4.444 1.870 -4.355 1.00 0.00 O ATOM 706 CB ILE A 577 -5.343 0.648 -1.393 1.00 0.00 C ATOM 707 CG1 ILE A 577 -3.990 1.352 -1.284 1.00 0.00 C ATOM 708 CG2 ILE A 577 -5.262 -0.819 -0.967 1.00 0.00 C ATOM 709 CD1 ILE A 577 -4.158 2.873 -1.317 1.00 0.00 C ATOM 0 H ILE A 577 -4.718 -0.495 -3.960 1.00 0.00 H new ATOM 0 HA ILE A 577 -6.989 0.926 -2.676 1.00 0.00 H new ATOM 0 HB ILE A 577 -6.022 1.147 -0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 577 -3.496 1.057 -0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 577 -3.345 1.036 -2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 577 -4.851 -0.883 0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 577 -6.260 -1.257 -0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 577 -4.618 -1.363 -1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 577 -3.181 3.349 -1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 577 -4.630 3.167 -2.255 1.00 0.00 H new ATOM 0 HD13 ILE A 577 -4.784 3.188 -0.482 1.00 0.00 H new ATOM 721 N THR A 578 -6.019 3.128 -3.329 1.00 0.00 N ATOM 722 CA THR A 578 -5.623 4.361 -3.990 1.00 0.00 C ATOM 723 C THR A 578 -5.353 5.456 -2.957 1.00 0.00 C ATOM 724 O THR A 578 -6.120 5.624 -2.010 1.00 0.00 O ATOM 725 CB THR A 578 -6.715 4.729 -4.996 1.00 0.00 C ATOM 726 OG1 THR A 578 -6.878 3.550 -5.780 1.00 0.00 O ATOM 727 CG2 THR A 578 -6.251 5.784 -6.003 1.00 0.00 C ATOM 0 H THR A 578 -6.801 3.223 -2.681 1.00 0.00 H new ATOM 0 HA THR A 578 -4.688 4.236 -4.536 1.00 0.00 H new ATOM 0 HB THR A 578 -7.591 5.096 -4.462 1.00 0.00 H new ATOM 0 HG1 THR A 578 -7.570 3.701 -6.457 1.00 0.00 H new ATOM 0 HG21 THR A 578 -7.063 6.009 -6.694 1.00 0.00 H new ATOM 0 HG22 THR A 578 -5.963 6.692 -5.472 1.00 0.00 H new ATOM 0 HG23 THR A 578 -5.395 5.403 -6.561 1.00 0.00 H new ATOM 735 N VAL A 579 -4.262 6.175 -3.174 1.00 0.00 N ATOM 736 CA VAL A 579 -3.881 7.250 -2.274 1.00 0.00 C ATOM 737 C VAL A 579 -3.542 8.498 -3.092 1.00 0.00 C ATOM 738 O VAL A 579 -2.739 8.436 -4.022 1.00 0.00 O ATOM 739 CB VAL A 579 -2.732 6.795 -1.372 1.00 0.00 C ATOM 740 CG1 VAL A 579 -2.103 7.985 -0.644 1.00 0.00 C ATOM 741 CG2 VAL A 579 -3.203 5.731 -0.379 1.00 0.00 C ATOM 0 H VAL A 579 -3.629 6.034 -3.961 1.00 0.00 H new ATOM 0 HA VAL A 579 -4.710 7.509 -1.615 1.00 0.00 H new ATOM 0 HB VAL A 579 -1.966 6.346 -2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 579 -1.289 7.634 -0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 579 -1.714 8.694 -1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 579 -2.857 8.475 -0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 579 -2.367 5.425 0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 579 -3.996 6.142 0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 579 -3.582 4.867 -0.924 1.00 0.00 H new ATOM 751 N ASP A 580 -4.170 9.602 -2.715 1.00 0.00 N ATOM 752 CA ASP A 580 -3.944 10.863 -3.402 1.00 0.00 C ATOM 753 C ASP A 580 -2.729 11.561 -2.790 1.00 0.00 C ATOM 754 O ASP A 580 -2.456 11.412 -1.600 1.00 0.00 O ATOM 755 CB ASP A 580 -5.149 11.794 -3.254 1.00 0.00 C ATOM 756 CG ASP A 580 -5.799 12.225 -4.570 1.00 0.00 C ATOM 757 OD1 ASP A 580 -5.301 13.124 -5.264 1.00 0.00 O ATOM 758 OD2 ASP A 580 -6.877 11.587 -4.880 1.00 0.00 O ATOM 0 H ASP A 580 -4.835 9.650 -1.943 1.00 0.00 H new ATOM 0 HA ASP A 580 -3.782 10.648 -4.458 1.00 0.00 H new ATOM 0 HB2 ASP A 580 -5.900 11.296 -2.641 1.00 0.00 H new ATOM 0 HB3 ASP A 580 -4.835 12.686 -2.712 1.00 0.00 H new ATOM 764 N ILE A 581 -2.030 12.309 -3.631 1.00 0.00 N ATOM 765 CA ILE A 581 -0.850 13.032 -3.188 1.00 0.00 C ATOM 766 C ILE A 581 -0.584 14.199 -4.141 1.00 0.00 C ATOM 767 O ILE A 581 0.536 14.370 -4.620 1.00 0.00 O ATOM 768 CB ILE A 581 0.337 12.078 -3.037 1.00 0.00 C ATOM 769 CG1 ILE A 581 0.733 11.478 -4.387 1.00 0.00 C ATOM 770 CG2 ILE A 581 0.043 10.998 -1.994 1.00 0.00 C ATOM 771 CD1 ILE A 581 2.049 10.705 -4.279 1.00 0.00 C ATOM 0 H ILE A 581 -2.258 12.430 -4.618 1.00 0.00 H new ATOM 0 HA ILE A 581 -1.014 13.459 -2.199 1.00 0.00 H new ATOM 0 HB ILE A 581 1.191 12.650 -2.676 1.00 0.00 H new ATOM 0 HG12 ILE A 581 -0.056 10.813 -4.739 1.00 0.00 H new ATOM 0 HG13 ILE A 581 0.833 12.272 -5.127 1.00 0.00 H new ATOM 0 HG21 ILE A 581 0.902 10.333 -1.906 1.00 0.00 H new ATOM 0 HG22 ILE A 581 -0.153 11.467 -1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 581 -0.830 10.423 -2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 581 2.307 10.289 -5.253 1.00 0.00 H new ATOM 0 HD12 ILE A 581 2.841 11.378 -3.951 1.00 0.00 H new ATOM 0 HD13 ILE A 581 1.938 9.896 -3.557 1.00 0.00 H new ATOM 783 N GLY A 582 -1.632 14.971 -4.387 1.00 0.00 N ATOM 784 CA GLY A 582 -1.525 16.117 -5.275 1.00 0.00 C ATOM 785 C GLY A 582 -0.391 17.046 -4.836 1.00 0.00 C ATOM 786 O GLY A 582 0.130 17.817 -5.640 1.00 0.00 O ATOM 0 H GLY A 582 -2.559 14.826 -3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -1.347 15.776 -6.295 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -2.467 16.665 -5.282 1.00 0.00 H new ATOM 790 N SER A 583 -0.043 16.942 -3.562 1.00 0.00 N ATOM 791 CA SER A 583 1.020 17.763 -3.007 1.00 0.00 C ATOM 792 C SER A 583 2.136 16.873 -2.456 1.00 0.00 C ATOM 793 O SER A 583 2.737 17.188 -1.430 1.00 0.00 O ATOM 794 CB SER A 583 0.486 18.686 -1.910 1.00 0.00 C ATOM 795 OG SER A 583 0.889 20.039 -2.108 1.00 0.00 O ATOM 0 H SER A 583 -0.478 16.302 -2.898 1.00 0.00 H new ATOM 0 HA SER A 583 1.423 18.387 -3.805 1.00 0.00 H new ATOM 0 HB2 SER A 583 -0.602 18.631 -1.888 1.00 0.00 H new ATOM 0 HB3 SER A 583 0.842 18.340 -0.940 1.00 0.00 H new ATOM 0 HG SER A 583 0.527 20.597 -1.388 1.00 0.00 H new ATOM 801 N ALA A 584 2.378 15.778 -3.161 1.00 0.00 N ATOM 802 CA ALA A 584 3.411 14.840 -2.755 1.00 0.00 C ATOM 803 C ALA A 584 3.807 13.974 -3.953 1.00 0.00 C ATOM 804 O ALA A 584 2.957 13.595 -4.757 1.00 0.00 O ATOM 805 CB ALA A 584 2.909 14.007 -1.574 1.00 0.00 C ATOM 0 H ALA A 584 1.877 15.519 -4.011 1.00 0.00 H new ATOM 0 HA ALA A 584 4.303 15.371 -2.423 1.00 0.00 H new ATOM 0 HB1 ALA A 584 3.684 13.303 -1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 584 2.669 14.666 -0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 584 2.016 13.457 -1.870 1.00 0.00 H new ATOM 811 N SER A 585 5.097 13.685 -4.033 1.00 0.00 N ATOM 812 CA SER A 585 5.616 12.870 -5.119 1.00 0.00 C ATOM 813 C SER A 585 6.122 11.533 -4.574 1.00 0.00 C ATOM 814 O SER A 585 6.611 10.696 -5.331 1.00 0.00 O ATOM 815 CB SER A 585 6.736 13.597 -5.866 1.00 0.00 C ATOM 816 OG SER A 585 6.682 13.360 -7.270 1.00 0.00 O ATOM 0 H SER A 585 5.799 14.000 -3.364 1.00 0.00 H new ATOM 0 HA SER A 585 4.806 12.684 -5.825 1.00 0.00 H new ATOM 0 HB2 SER A 585 6.663 14.668 -5.676 1.00 0.00 H new ATOM 0 HB3 SER A 585 7.701 13.270 -5.480 1.00 0.00 H new ATOM 0 HG SER A 585 7.412 13.842 -7.711 1.00 0.00 H new ATOM 822 N GLN A 586 5.988 11.374 -3.265 1.00 0.00 N ATOM 823 CA GLN A 586 6.425 10.153 -2.611 1.00 0.00 C ATOM 824 C GLN A 586 5.527 9.842 -1.412 1.00 0.00 C ATOM 825 O GLN A 586 5.154 10.742 -0.661 1.00 0.00 O ATOM 826 CB GLN A 586 7.891 10.255 -2.185 1.00 0.00 C ATOM 827 CG GLN A 586 8.815 10.295 -3.404 1.00 0.00 C ATOM 828 CD GLN A 586 10.249 9.926 -3.018 1.00 0.00 C ATOM 829 OE1 GLN A 586 10.931 9.180 -3.702 1.00 0.00 O ATOM 830 NE2 GLN A 586 10.666 10.488 -1.888 1.00 0.00 N ATOM 0 H GLN A 586 5.583 12.071 -2.640 1.00 0.00 H new ATOM 0 HA GLN A 586 6.343 9.333 -3.324 1.00 0.00 H new ATOM 0 HB2 GLN A 586 8.037 11.152 -1.584 1.00 0.00 H new ATOM 0 HB3 GLN A 586 8.150 9.404 -1.555 1.00 0.00 H new ATOM 0 HG2 GLN A 586 8.450 9.604 -4.164 1.00 0.00 H new ATOM 0 HG3 GLN A 586 8.798 11.292 -3.845 1.00 0.00 H new ATOM 0 HE21 GLN A 586 10.043 11.103 -1.364 1.00 0.00 H new ATOM 0 HE22 GLN A 586 11.609 10.304 -1.545 1.00 0.00 H new ATOM 839 N LEU A 587 5.204 8.565 -1.271 1.00 0.00 N ATOM 840 CA LEU A 587 4.356 8.124 -0.176 1.00 0.00 C ATOM 841 C LEU A 587 4.822 6.747 0.301 1.00 0.00 C ATOM 842 O LEU A 587 5.009 5.837 -0.505 1.00 0.00 O ATOM 843 CB LEU A 587 2.884 8.166 -0.589 1.00 0.00 C ATOM 844 CG LEU A 587 1.907 7.434 0.334 1.00 0.00 C ATOM 845 CD1 LEU A 587 0.741 8.342 0.729 1.00 0.00 C ATOM 846 CD2 LEU A 587 1.427 6.128 -0.301 1.00 0.00 C ATOM 0 H LEU A 587 5.514 7.821 -1.897 1.00 0.00 H new ATOM 0 HA LEU A 587 4.445 8.803 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 587 2.576 9.209 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 587 2.796 7.741 -1.589 1.00 0.00 H new ATOM 0 HG LEU A 587 2.435 7.171 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 587 0.062 7.797 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 587 1.124 9.219 1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 587 0.206 8.657 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 587 0.734 5.628 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 587 0.922 6.345 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 587 2.282 5.479 -0.489 1.00 0.00 H new ATOM 858 N GLU A 588 4.997 6.637 1.610 1.00 0.00 N ATOM 859 CA GLU A 588 5.437 5.387 2.204 1.00 0.00 C ATOM 860 C GLU A 588 4.231 4.518 2.568 1.00 0.00 C ATOM 861 O GLU A 588 3.187 5.034 2.963 1.00 0.00 O ATOM 862 CB GLU A 588 6.318 5.642 3.429 1.00 0.00 C ATOM 863 CG GLU A 588 5.745 6.768 4.291 1.00 0.00 C ATOM 864 CD GLU A 588 6.427 8.101 3.977 1.00 0.00 C ATOM 865 OE1 GLU A 588 6.132 8.720 2.944 1.00 0.00 O ATOM 866 OE2 GLU A 588 7.293 8.490 4.851 1.00 0.00 O ATOM 0 H GLU A 588 4.842 7.394 2.276 1.00 0.00 H new ATOM 0 HA GLU A 588 6.038 4.851 1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 588 6.397 4.730 4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 588 7.327 5.902 3.108 1.00 0.00 H new ATOM 0 HG2 GLU A 588 4.673 6.854 4.117 1.00 0.00 H new ATOM 0 HG3 GLU A 588 5.878 6.527 5.346 1.00 0.00 H new ATOM 874 N ALA A 589 4.415 3.214 2.420 1.00 0.00 N ATOM 875 CA ALA A 589 3.355 2.269 2.728 1.00 0.00 C ATOM 876 C ALA A 589 3.934 1.106 3.537 1.00 0.00 C ATOM 877 O ALA A 589 5.100 0.751 3.373 1.00 0.00 O ATOM 878 CB ALA A 589 2.693 1.804 1.430 1.00 0.00 C ATOM 0 H ALA A 589 5.282 2.790 2.091 1.00 0.00 H new ATOM 0 HA ALA A 589 2.584 2.742 3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 589 1.898 1.095 1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 589 2.273 2.663 0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 589 3.436 1.322 0.795 1.00 0.00 H new ATOM 884 N ALA A 590 3.092 0.546 4.393 1.00 0.00 N ATOM 885 CA ALA A 590 3.505 -0.569 5.228 1.00 0.00 C ATOM 886 C ALA A 590 2.392 -1.618 5.257 1.00 0.00 C ATOM 887 O ALA A 590 1.230 -1.303 5.004 1.00 0.00 O ATOM 888 CB ALA A 590 3.860 -0.056 6.626 1.00 0.00 C ATOM 0 H ALA A 590 2.126 0.844 4.526 1.00 0.00 H new ATOM 0 HA ALA A 590 4.396 -1.045 4.820 1.00 0.00 H new ATOM 0 HB1 ALA A 590 4.170 -0.892 7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 590 4.675 0.664 6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 590 2.988 0.426 7.069 1.00 0.00 H new ATOM 894 N PHE A 591 2.786 -2.844 5.568 1.00 0.00 N ATOM 895 CA PHE A 591 1.837 -3.942 5.633 1.00 0.00 C ATOM 896 C PHE A 591 1.860 -4.606 7.011 1.00 0.00 C ATOM 897 O PHE A 591 2.921 -4.984 7.504 1.00 0.00 O ATOM 898 CB PHE A 591 2.264 -4.966 4.579 1.00 0.00 C ATOM 899 CG PHE A 591 2.936 -4.351 3.350 1.00 0.00 C ATOM 900 CD1 PHE A 591 2.317 -3.354 2.664 1.00 0.00 C ATOM 901 CD2 PHE A 591 4.154 -4.802 2.945 1.00 0.00 C ATOM 902 CE1 PHE A 591 2.941 -2.783 1.523 1.00 0.00 C ATOM 903 CE2 PHE A 591 4.778 -4.231 1.804 1.00 0.00 C ATOM 904 CZ PHE A 591 4.159 -3.234 1.118 1.00 0.00 C ATOM 0 H PHE A 591 3.750 -3.101 5.778 1.00 0.00 H new ATOM 0 HA PHE A 591 0.827 -3.572 5.455 1.00 0.00 H new ATOM 0 HB2 PHE A 591 2.950 -5.679 5.037 1.00 0.00 H new ATOM 0 HB3 PHE A 591 1.387 -5.528 4.258 1.00 0.00 H new ATOM 0 HD1 PHE A 591 1.351 -2.996 2.987 1.00 0.00 H new ATOM 0 HD2 PHE A 591 4.646 -5.594 3.491 1.00 0.00 H new ATOM 0 HE1 PHE A 591 2.449 -1.991 0.977 1.00 0.00 H new ATOM 0 HE2 PHE A 591 5.744 -4.589 1.481 1.00 0.00 H new ATOM 0 HZ PHE A 591 4.634 -2.800 0.251 1.00 0.00 H new ATOM 914 N ASN A 592 0.676 -4.727 7.594 1.00 0.00 N ATOM 915 CA ASN A 592 0.547 -5.339 8.905 1.00 0.00 C ATOM 916 C ASN A 592 -0.802 -6.055 8.999 1.00 0.00 C ATOM 917 O ASN A 592 -1.825 -5.517 8.578 1.00 0.00 O ATOM 918 CB ASN A 592 0.601 -4.285 10.013 1.00 0.00 C ATOM 919 CG ASN A 592 -0.631 -3.378 9.966 1.00 0.00 C ATOM 920 OD1 ASN A 592 -1.604 -3.573 10.675 1.00 0.00 O ATOM 921 ND2 ASN A 592 -0.534 -2.378 9.095 1.00 0.00 N ATOM 0 H ASN A 592 -0.202 -4.411 7.182 1.00 0.00 H new ATOM 0 HA ASN A 592 1.373 -6.039 9.033 1.00 0.00 H new ATOM 0 HB2 ASN A 592 0.659 -4.776 10.985 1.00 0.00 H new ATOM 0 HB3 ASN A 592 1.504 -3.684 9.905 1.00 0.00 H new ATOM 0 HD21 ASN A 592 -1.303 -1.717 8.990 1.00 0.00 H new ATOM 0 HD22 ASN A 592 0.310 -2.272 8.532 1.00 0.00 H new ATOM 928 N ASP A 593 -0.760 -7.257 9.554 1.00 0.00 N ATOM 929 CA ASP A 593 -1.967 -8.052 9.708 1.00 0.00 C ATOM 930 C ASP A 593 -2.874 -7.398 10.752 1.00 0.00 C ATOM 931 O ASP A 593 -4.090 -7.578 10.724 1.00 0.00 O ATOM 932 CB ASP A 593 -1.637 -9.467 10.189 1.00 0.00 C ATOM 933 CG ASP A 593 -2.749 -10.157 10.981 1.00 0.00 C ATOM 934 OD1 ASP A 593 -2.988 -9.839 12.156 1.00 0.00 O ATOM 935 OD2 ASP A 593 -3.393 -11.069 10.335 1.00 0.00 O ATOM 0 H ASP A 593 0.090 -7.700 9.903 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.461 -8.106 8.738 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -1.394 -10.082 9.322 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -0.742 -9.424 10.810 1.00 0.00 H new ATOM 941 N GLY A 594 -2.247 -6.651 11.649 1.00 0.00 N ATOM 942 CA GLY A 594 -2.982 -5.969 12.701 1.00 0.00 C ATOM 943 C GLY A 594 -2.982 -6.791 13.991 1.00 0.00 C ATOM 944 O GLY A 594 -3.953 -6.767 14.746 1.00 0.00 O ATOM 0 H GLY A 594 -1.238 -6.503 11.669 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -2.535 -4.993 12.888 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -4.008 -5.793 12.378 1.00 0.00 H new ATOM 948 N ASN A 595 -1.883 -7.499 14.205 1.00 0.00 N ATOM 949 CA ASN A 595 -1.744 -8.326 15.391 1.00 0.00 C ATOM 950 C ASN A 595 -0.267 -8.407 15.782 1.00 0.00 C ATOM 951 O ASN A 595 0.218 -9.468 16.172 1.00 0.00 O ATOM 952 CB ASN A 595 -2.243 -9.749 15.131 1.00 0.00 C ATOM 953 CG ASN A 595 -1.354 -10.465 14.112 1.00 0.00 C ATOM 954 OD1 ASN A 595 -0.592 -9.856 13.379 1.00 0.00 O ATOM 955 ND2 ASN A 595 -1.494 -11.787 14.107 1.00 0.00 N ATOM 0 H ASN A 595 -1.080 -7.517 13.576 1.00 0.00 H new ATOM 0 HA ASN A 595 -2.336 -7.875 16.187 1.00 0.00 H new ATOM 0 HB2 ASN A 595 -2.256 -10.310 16.065 1.00 0.00 H new ATOM 0 HB3 ASN A 595 -3.269 -9.717 14.765 1.00 0.00 H new ATOM 0 HD21 ASN A 595 -0.945 -12.356 13.462 1.00 0.00 H new ATOM 0 HD22 ASN A 595 -2.151 -12.233 14.748 1.00 0.00 H new ATOM 962 N ASN A 596 0.406 -7.273 15.663 1.00 0.00 N ATOM 963 CA ASN A 596 1.818 -7.202 15.998 1.00 0.00 C ATOM 964 C ASN A 596 2.631 -7.925 14.922 1.00 0.00 C ATOM 965 O ASN A 596 3.652 -8.543 15.220 1.00 0.00 O ATOM 966 CB ASN A 596 2.100 -7.882 17.339 1.00 0.00 C ATOM 967 CG ASN A 596 3.367 -7.316 17.985 1.00 0.00 C ATOM 968 OD1 ASN A 596 3.801 -6.212 17.700 1.00 0.00 O ATOM 969 ND2 ASN A 596 3.934 -8.132 18.869 1.00 0.00 N ATOM 0 H ASN A 596 -0.000 -6.395 15.339 1.00 0.00 H new ATOM 0 HA ASN A 596 2.097 -6.150 16.060 1.00 0.00 H new ATOM 0 HB2 ASN A 596 1.252 -7.740 18.008 1.00 0.00 H new ATOM 0 HB3 ASN A 596 2.212 -8.956 17.190 1.00 0.00 H new ATOM 0 HD21 ASN A 596 4.784 -7.846 19.355 1.00 0.00 H new ATOM 0 HD22 ASN A 596 3.519 -9.044 19.061 1.00 0.00 H new ATOM 976 N ASN A 597 2.147 -7.823 13.692 1.00 0.00 N ATOM 977 CA ASN A 597 2.816 -8.459 12.570 1.00 0.00 C ATOM 978 C ASN A 597 3.000 -7.438 11.446 1.00 0.00 C ATOM 979 O ASN A 597 2.363 -7.541 10.398 1.00 0.00 O ATOM 980 CB ASN A 597 1.986 -9.622 12.022 1.00 0.00 C ATOM 981 CG ASN A 597 2.067 -10.837 12.947 1.00 0.00 C ATOM 982 OD1 ASN A 597 2.140 -10.723 14.160 1.00 0.00 O ATOM 983 ND2 ASN A 597 2.049 -12.005 12.310 1.00 0.00 N ATOM 0 H ASN A 597 1.300 -7.310 13.448 1.00 0.00 H new ATOM 0 HA ASN A 597 3.778 -8.835 12.919 1.00 0.00 H new ATOM 0 HB2 ASN A 597 0.947 -9.312 11.913 1.00 0.00 H new ATOM 0 HB3 ASN A 597 2.344 -9.892 11.029 1.00 0.00 H new ATOM 0 HD21 ASN A 597 2.098 -12.875 12.839 1.00 0.00 H new ATOM 0 HD22 ASN A 597 1.986 -12.030 11.292 1.00 0.00 H new ATOM 990 N TRP A 598 3.873 -6.475 11.701 1.00 0.00 N ATOM 991 CA TRP A 598 4.149 -5.436 10.724 1.00 0.00 C ATOM 992 C TRP A 598 5.319 -5.902 9.855 1.00 0.00 C ATOM 993 O TRP A 598 6.184 -6.643 10.319 1.00 0.00 O ATOM 994 CB TRP A 598 4.410 -4.093 11.409 1.00 0.00 C ATOM 995 CG TRP A 598 3.229 -3.574 12.232 1.00 0.00 C ATOM 996 CD1 TRP A 598 2.564 -4.204 13.209 1.00 0.00 C ATOM 997 CD2 TRP A 598 2.598 -2.282 12.108 1.00 0.00 C ATOM 998 NE1 TRP A 598 1.553 -3.417 13.722 1.00 0.00 N ATOM 999 CE2 TRP A 598 1.574 -2.211 13.031 1.00 0.00 C ATOM 1000 CE3 TRP A 598 2.881 -1.209 11.245 1.00 0.00 C ATOM 1001 CZ2 TRP A 598 0.753 -1.087 13.180 1.00 0.00 C ATOM 1002 CZ3 TRP A 598 2.051 -0.094 11.405 1.00 0.00 C ATOM 1003 CH2 TRP A 598 1.017 -0.006 12.330 1.00 0.00 C ATOM 0 H TRP A 598 4.399 -6.392 12.571 1.00 0.00 H new ATOM 0 HA TRP A 598 3.283 -5.271 10.082 1.00 0.00 H new ATOM 0 HB2 TRP A 598 5.278 -4.192 12.061 1.00 0.00 H new ATOM 0 HB3 TRP A 598 4.664 -3.353 10.650 1.00 0.00 H new ATOM 0 HD1 TRP A 598 2.790 -5.203 13.552 1.00 0.00 H new ATOM 0 HE1 TRP A 598 0.909 -3.673 14.470 1.00 0.00 H new ATOM 0 HE3 TRP A 598 3.677 -1.243 10.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 -0.041 -1.055 13.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 2.226 0.758 10.765 1.00 0.00 H new ATOM 0 HH2 TRP A 598 0.420 0.892 12.393 1.00 0.00 H new ATOM 1014 N ASP A 599 5.308 -5.448 8.610 1.00 0.00 N ATOM 1015 CA ASP A 599 6.358 -5.809 7.673 1.00 0.00 C ATOM 1016 C ASP A 599 6.942 -4.538 7.054 1.00 0.00 C ATOM 1017 O ASP A 599 7.076 -4.442 5.835 1.00 0.00 O ATOM 1018 CB ASP A 599 5.809 -6.678 6.540 1.00 0.00 C ATOM 1019 CG ASP A 599 6.805 -7.683 5.956 1.00 0.00 C ATOM 1020 OD1 ASP A 599 6.639 -8.904 6.099 1.00 0.00 O ATOM 1021 OD2 ASP A 599 7.799 -7.160 5.321 1.00 0.00 O ATOM 0 H ASP A 599 4.589 -4.834 8.229 1.00 0.00 H new ATOM 0 HA ASP A 599 7.120 -6.366 8.218 1.00 0.00 H new ATOM 0 HB2 ASP A 599 4.940 -7.223 6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 599 5.461 -6.027 5.738 1.00 0.00 H new ATOM 1027 N SER A 600 7.274 -3.594 7.922 1.00 0.00 N ATOM 1028 CA SER A 600 7.841 -2.333 7.475 1.00 0.00 C ATOM 1029 C SER A 600 9.365 -2.442 7.396 1.00 0.00 C ATOM 1030 O SER A 600 10.063 -1.430 7.363 1.00 0.00 O ATOM 1031 CB SER A 600 7.439 -1.188 8.407 1.00 0.00 C ATOM 1032 OG SER A 600 7.214 0.026 7.695 1.00 0.00 O ATOM 0 H SER A 600 7.161 -3.677 8.932 1.00 0.00 H new ATOM 0 HA SER A 600 7.447 -2.114 6.482 1.00 0.00 H new ATOM 0 HB2 SER A 600 6.535 -1.463 8.950 1.00 0.00 H new ATOM 0 HB3 SER A 600 8.222 -1.033 9.150 1.00 0.00 H new ATOM 0 HG SER A 600 8.066 0.363 7.346 1.00 0.00 H new ATOM 1038 N ASN A 601 9.837 -3.680 7.369 1.00 0.00 N ATOM 1039 CA ASN A 601 11.265 -3.936 7.295 1.00 0.00 C ATOM 1040 C ASN A 601 11.862 -3.881 8.702 1.00 0.00 C ATOM 1041 O ASN A 601 12.500 -4.835 9.147 1.00 0.00 O ATOM 1042 CB ASN A 601 11.970 -2.879 6.441 1.00 0.00 C ATOM 1043 CG ASN A 601 13.119 -3.497 5.642 1.00 0.00 C ATOM 1044 OD1 ASN A 601 13.578 -4.594 5.913 1.00 0.00 O ATOM 1045 ND2 ASN A 601 13.557 -2.733 4.645 1.00 0.00 N ATOM 0 H ASN A 601 9.255 -4.517 7.397 1.00 0.00 H new ATOM 0 HA ASN A 601 11.409 -4.918 6.845 1.00 0.00 H new ATOM 0 HB2 ASN A 601 11.254 -2.420 5.759 1.00 0.00 H new ATOM 0 HB3 ASN A 601 12.354 -2.085 7.082 1.00 0.00 H new ATOM 0 HD21 ASN A 601 14.322 -3.056 4.053 1.00 0.00 H new ATOM 0 HD22 ASN A 601 13.128 -1.824 4.473 1.00 0.00 H new ATOM 1052 N ASN A 602 11.634 -2.757 9.364 1.00 0.00 N ATOM 1053 CA ASN A 602 12.142 -2.566 10.712 1.00 0.00 C ATOM 1054 C ASN A 602 11.999 -1.094 11.103 1.00 0.00 C ATOM 1055 O ASN A 602 11.241 -0.760 12.013 1.00 0.00 O ATOM 1056 CB ASN A 602 13.624 -2.936 10.801 1.00 0.00 C ATOM 1057 CG ASN A 602 13.867 -3.965 11.907 1.00 0.00 C ATOM 1058 OD1 ASN A 602 13.670 -3.708 13.083 1.00 0.00 O ATOM 1059 ND2 ASN A 602 14.305 -5.140 11.466 1.00 0.00 N ATOM 0 H ASN A 602 11.104 -1.969 8.992 1.00 0.00 H new ATOM 0 HA ASN A 602 11.569 -3.208 11.381 1.00 0.00 H new ATOM 0 HB2 ASN A 602 13.960 -3.338 9.845 1.00 0.00 H new ATOM 0 HB3 ASN A 602 14.215 -2.041 10.996 1.00 0.00 H new ATOM 0 HD21 ASN A 602 14.497 -5.893 12.126 1.00 0.00 H new ATOM 0 HD22 ASN A 602 14.449 -5.288 10.467 1.00 0.00 H new ATOM 1066 N THR A 603 12.737 -0.252 10.395 1.00 0.00 N ATOM 1067 CA THR A 603 12.702 1.177 10.657 1.00 0.00 C ATOM 1068 C THR A 603 13.162 1.956 9.423 1.00 0.00 C ATOM 1069 O THR A 603 14.098 2.751 9.500 1.00 0.00 O ATOM 1070 CB THR A 603 13.550 1.451 11.900 1.00 0.00 C ATOM 1071 OG1 THR A 603 13.029 0.558 12.880 1.00 0.00 O ATOM 1072 CG2 THR A 603 13.295 2.841 12.488 1.00 0.00 C ATOM 0 H THR A 603 13.363 -0.532 9.640 1.00 0.00 H new ATOM 0 HA THR A 603 11.686 1.518 10.858 1.00 0.00 H new ATOM 0 HB THR A 603 14.606 1.352 11.648 1.00 0.00 H new ATOM 0 HG1 THR A 603 12.070 0.426 12.725 1.00 0.00 H new ATOM 0 HG21 THR A 603 13.922 2.984 13.368 1.00 0.00 H new ATOM 0 HG22 THR A 603 13.535 3.600 11.744 1.00 0.00 H new ATOM 0 HG23 THR A 603 12.246 2.929 12.771 1.00 0.00 H new ATOM 1080 N LYS A 604 12.483 1.701 8.314 1.00 0.00 N ATOM 1081 CA LYS A 604 12.810 2.369 7.066 1.00 0.00 C ATOM 1082 C LYS A 604 11.829 1.921 5.981 1.00 0.00 C ATOM 1083 O LYS A 604 12.190 1.152 5.092 1.00 0.00 O ATOM 1084 CB LYS A 604 14.278 2.135 6.702 1.00 0.00 C ATOM 1085 CG LYS A 604 14.556 0.649 6.471 1.00 0.00 C ATOM 1086 CD LYS A 604 14.826 0.364 4.992 1.00 0.00 C ATOM 1087 CE LYS A 604 16.020 -0.578 4.825 1.00 0.00 C ATOM 1088 NZ LYS A 604 15.816 -1.470 3.661 1.00 0.00 N ATOM 0 H LYS A 604 11.708 1.041 8.254 1.00 0.00 H new ATOM 0 HA LYS A 604 12.699 3.448 7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 604 14.528 2.699 5.803 1.00 0.00 H new ATOM 0 HB3 LYS A 604 14.918 2.508 7.501 1.00 0.00 H new ATOM 0 HG2 LYS A 604 15.414 0.339 7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 604 13.704 0.059 6.809 1.00 0.00 H new ATOM 0 HD2 LYS A 604 13.941 -0.080 4.536 1.00 0.00 H new ATOM 0 HD3 LYS A 604 15.020 1.299 4.467 1.00 0.00 H new ATOM 0 HE2 LYS A 604 16.933 0.002 4.691 1.00 0.00 H new ATOM 0 HE3 LYS A 604 16.151 -1.173 5.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 15.957 -2.458 3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 14.849 -1.351 3.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 16.499 -1.228 2.915 1.00 0.00 H new ATOM 1101 N ASN A 605 10.608 2.423 6.089 1.00 0.00 N ATOM 1102 CA ASN A 605 9.572 2.084 5.128 1.00 0.00 C ATOM 1103 C ASN A 605 10.095 2.332 3.712 1.00 0.00 C ATOM 1104 O ASN A 605 11.263 2.674 3.529 1.00 0.00 O ATOM 1105 CB ASN A 605 8.328 2.952 5.330 1.00 0.00 C ATOM 1106 CG ASN A 605 7.978 3.070 6.815 1.00 0.00 C ATOM 1107 OD1 ASN A 605 8.708 3.641 7.608 1.00 0.00 O ATOM 1108 ND2 ASN A 605 6.822 2.500 7.145 1.00 0.00 N ATOM 0 H ASN A 605 10.313 3.062 6.827 1.00 0.00 H new ATOM 0 HA ASN A 605 9.309 1.036 5.272 1.00 0.00 H new ATOM 0 HB2 ASN A 605 8.501 3.944 4.913 1.00 0.00 H new ATOM 0 HB3 ASN A 605 7.487 2.520 4.787 1.00 0.00 H new ATOM 0 HD21 ASN A 605 6.499 2.525 8.112 1.00 0.00 H new ATOM 0 HD22 ASN A 605 6.259 2.038 6.431 1.00 0.00 H new ATOM 1115 N TYR A 606 9.206 2.150 2.746 1.00 0.00 N ATOM 1116 CA TYR A 606 9.564 2.349 1.352 1.00 0.00 C ATOM 1117 C TYR A 606 8.937 3.632 0.803 1.00 0.00 C ATOM 1118 O TYR A 606 8.015 4.182 1.402 1.00 0.00 O ATOM 1119 CB TYR A 606 8.990 1.150 0.594 1.00 0.00 C ATOM 1120 CG TYR A 606 9.621 -0.189 0.979 1.00 0.00 C ATOM 1121 CD1 TYR A 606 10.742 -0.642 0.313 1.00 0.00 C ATOM 1122 CD2 TYR A 606 9.069 -0.946 1.993 1.00 0.00 C ATOM 1123 CE1 TYR A 606 11.335 -1.903 0.675 1.00 0.00 C ATOM 1124 CE2 TYR A 606 9.662 -2.207 2.355 1.00 0.00 C ATOM 1125 CZ TYR A 606 10.766 -2.623 1.678 1.00 0.00 C ATOM 1126 OH TYR A 606 11.326 -3.814 2.021 1.00 0.00 O ATOM 0 H TYR A 606 8.239 1.867 2.902 1.00 0.00 H new ATOM 0 HA TYR A 606 10.645 2.435 1.242 1.00 0.00 H new ATOM 0 HB2 TYR A 606 7.916 1.099 0.774 1.00 0.00 H new ATOM 0 HB3 TYR A 606 9.126 1.310 -0.476 1.00 0.00 H new ATOM 0 HD1 TYR A 606 11.175 -0.050 -0.480 1.00 0.00 H new ATOM 0 HD2 TYR A 606 8.192 -0.592 2.515 1.00 0.00 H new ATOM 0 HE1 TYR A 606 12.212 -2.269 0.161 1.00 0.00 H new ATOM 0 HE2 TYR A 606 9.240 -2.809 3.146 1.00 0.00 H new ATOM 0 HH TYR A 606 10.815 -4.217 2.753 1.00 0.00 H new ATOM 1136 N LEU A 607 9.464 4.072 -0.330 1.00 0.00 N ATOM 1137 CA LEU A 607 8.967 5.280 -0.967 1.00 0.00 C ATOM 1138 C LEU A 607 8.344 4.921 -2.317 1.00 0.00 C ATOM 1139 O LEU A 607 9.007 4.344 -3.177 1.00 0.00 O ATOM 1140 CB LEU A 607 10.076 6.331 -1.061 1.00 0.00 C ATOM 1141 CG LEU A 607 11.452 5.902 -0.547 1.00 0.00 C ATOM 1142 CD1 LEU A 607 12.520 6.935 -0.910 1.00 0.00 C ATOM 1143 CD2 LEU A 607 11.412 5.623 0.957 1.00 0.00 C ATOM 0 H LEU A 607 10.230 3.614 -0.823 1.00 0.00 H new ATOM 0 HA LEU A 607 8.180 5.733 -0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 607 10.177 6.631 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 607 9.761 7.214 -0.504 1.00 0.00 H new ATOM 0 HG LEU A 607 11.726 4.970 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 607 13.488 6.605 -0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 607 12.570 7.041 -1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 607 12.264 7.895 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 607 12.402 5.320 1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 607 11.107 6.526 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 607 10.698 4.824 1.160 1.00 0.00 H new ATOM 1155 N PHE A 608 7.076 5.277 -2.460 1.00 0.00 N ATOM 1156 CA PHE A 608 6.355 5.000 -3.691 1.00 0.00 C ATOM 1157 C PHE A 608 5.726 6.274 -4.257 1.00 0.00 C ATOM 1158 O PHE A 608 5.304 7.150 -3.504 1.00 0.00 O ATOM 1159 CB PHE A 608 5.244 4.006 -3.345 1.00 0.00 C ATOM 1160 CG PHE A 608 5.720 2.797 -2.538 1.00 0.00 C ATOM 1161 CD1 PHE A 608 6.949 2.263 -2.772 1.00 0.00 C ATOM 1162 CD2 PHE A 608 4.914 2.256 -1.585 1.00 0.00 C ATOM 1163 CE1 PHE A 608 7.391 1.141 -2.023 1.00 0.00 C ATOM 1164 CE2 PHE A 608 5.356 1.133 -0.836 1.00 0.00 C ATOM 1165 CZ PHE A 608 6.585 0.600 -1.070 1.00 0.00 C ATOM 0 H PHE A 608 6.529 5.755 -1.744 1.00 0.00 H new ATOM 0 HA PHE A 608 7.038 4.601 -4.441 1.00 0.00 H new ATOM 0 HB2 PHE A 608 4.469 4.525 -2.780 1.00 0.00 H new ATOM 0 HB3 PHE A 608 4.784 3.655 -4.269 1.00 0.00 H new ATOM 0 HD1 PHE A 608 7.589 2.693 -3.528 1.00 0.00 H new ATOM 0 HD2 PHE A 608 3.939 2.680 -1.398 1.00 0.00 H new ATOM 0 HE1 PHE A 608 8.367 0.717 -2.210 1.00 0.00 H new ATOM 0 HE2 PHE A 608 4.716 0.702 -0.080 1.00 0.00 H new ATOM 0 HZ PHE A 608 6.921 -0.253 -0.499 1.00 0.00 H new ATOM 1175 N SER A 609 5.682 6.337 -5.580 1.00 0.00 N ATOM 1176 CA SER A 609 5.111 7.489 -6.256 1.00 0.00 C ATOM 1177 C SER A 609 3.811 7.093 -6.960 1.00 0.00 C ATOM 1178 O SER A 609 3.524 5.907 -7.118 1.00 0.00 O ATOM 1179 CB SER A 609 6.099 8.084 -7.262 1.00 0.00 C ATOM 1180 OG SER A 609 5.597 9.274 -7.864 1.00 0.00 O ATOM 0 H SER A 609 6.033 5.608 -6.202 1.00 0.00 H new ATOM 0 HA SER A 609 4.894 8.251 -5.507 1.00 0.00 H new ATOM 0 HB2 SER A 609 7.041 8.302 -6.759 1.00 0.00 H new ATOM 0 HB3 SER A 609 6.314 7.349 -8.037 1.00 0.00 H new ATOM 0 HG SER A 609 5.774 10.038 -7.276 1.00 0.00 H new ATOM 1186 N THR A 610 3.061 8.107 -7.363 1.00 0.00 N ATOM 1187 CA THR A 610 1.799 7.879 -8.047 1.00 0.00 C ATOM 1188 C THR A 610 1.988 6.895 -9.202 1.00 0.00 C ATOM 1189 O THR A 610 3.116 6.615 -9.605 1.00 0.00 O ATOM 1190 CB THR A 610 1.248 9.237 -8.488 1.00 0.00 C ATOM 1191 OG1 THR A 610 2.315 9.818 -9.234 1.00 0.00 O ATOM 1192 CG2 THR A 610 1.047 10.197 -7.315 1.00 0.00 C ATOM 0 H THR A 610 3.302 9.089 -7.229 1.00 0.00 H new ATOM 0 HA THR A 610 1.068 7.416 -7.384 1.00 0.00 H new ATOM 0 HB THR A 610 0.299 9.093 -9.005 1.00 0.00 H new ATOM 0 HG1 THR A 610 2.587 10.661 -8.814 1.00 0.00 H new ATOM 0 HG21 THR A 610 0.655 11.145 -7.684 1.00 0.00 H new ATOM 0 HG22 THR A 610 0.341 9.763 -6.607 1.00 0.00 H new ATOM 0 HG23 THR A 610 2.002 10.368 -6.817 1.00 0.00 H new ATOM 1200 N GLY A 611 0.867 6.397 -9.704 1.00 0.00 N ATOM 1201 CA GLY A 611 0.896 5.450 -10.805 1.00 0.00 C ATOM 1202 C GLY A 611 0.341 4.091 -10.374 1.00 0.00 C ATOM 1203 O GLY A 611 -0.450 4.008 -9.436 1.00 0.00 O ATOM 0 H GLY A 611 -0.067 6.632 -9.368 1.00 0.00 H new ATOM 0 HA2 GLY A 611 0.311 5.838 -11.639 1.00 0.00 H new ATOM 0 HA3 GLY A 611 1.919 5.332 -11.161 1.00 0.00 H new ATOM 1207 N THR A 612 0.779 3.058 -11.080 1.00 0.00 N ATOM 1208 CA THR A 612 0.336 1.707 -10.782 1.00 0.00 C ATOM 1209 C THR A 612 1.496 0.875 -10.232 1.00 0.00 C ATOM 1210 O THR A 612 2.561 0.808 -10.843 1.00 0.00 O ATOM 1211 CB THR A 612 -0.283 1.121 -12.053 1.00 0.00 C ATOM 1212 OG1 THR A 612 -1.268 2.079 -12.432 1.00 0.00 O ATOM 1213 CG2 THR A 612 -1.086 -0.152 -11.780 1.00 0.00 C ATOM 0 H THR A 612 1.436 3.130 -11.857 1.00 0.00 H new ATOM 0 HA THR A 612 -0.425 1.703 -10.001 1.00 0.00 H new ATOM 0 HB THR A 612 0.505 0.905 -12.774 1.00 0.00 H new ATOM 0 HG1 THR A 612 -1.718 1.780 -13.249 1.00 0.00 H new ATOM 0 HG21 THR A 612 -1.503 -0.526 -12.715 1.00 0.00 H new ATOM 0 HG22 THR A 612 -0.432 -0.908 -11.346 1.00 0.00 H new ATOM 0 HG23 THR A 612 -1.895 0.070 -11.085 1.00 0.00 H new ATOM 1221 N SER A 613 1.249 0.260 -9.084 1.00 0.00 N ATOM 1222 CA SER A 613 2.260 -0.565 -8.445 1.00 0.00 C ATOM 1223 C SER A 613 1.606 -1.789 -7.801 1.00 0.00 C ATOM 1224 O SER A 613 0.412 -1.776 -7.507 1.00 0.00 O ATOM 1225 CB SER A 613 3.040 0.233 -7.398 1.00 0.00 C ATOM 1226 OG SER A 613 4.362 -0.270 -7.220 1.00 0.00 O ATOM 0 H SER A 613 0.364 0.317 -8.580 1.00 0.00 H new ATOM 0 HA SER A 613 2.964 -0.897 -9.208 1.00 0.00 H new ATOM 0 HB2 SER A 613 3.088 1.279 -7.701 1.00 0.00 H new ATOM 0 HB3 SER A 613 2.508 0.200 -6.447 1.00 0.00 H new ATOM 0 HG SER A 613 4.828 0.267 -6.545 1.00 0.00 H new ATOM 1232 N THR A 614 2.417 -2.817 -7.602 1.00 0.00 N ATOM 1233 CA THR A 614 1.932 -4.047 -6.998 1.00 0.00 C ATOM 1234 C THR A 614 2.894 -4.521 -5.907 1.00 0.00 C ATOM 1235 O THR A 614 4.056 -4.813 -6.183 1.00 0.00 O ATOM 1236 CB THR A 614 1.727 -5.073 -8.114 1.00 0.00 C ATOM 1237 OG1 THR A 614 0.961 -4.374 -9.092 1.00 0.00 O ATOM 1238 CG2 THR A 614 0.821 -6.229 -7.688 1.00 0.00 C ATOM 0 H THR A 614 3.407 -2.824 -7.848 1.00 0.00 H new ATOM 0 HA THR A 614 0.975 -3.892 -6.499 1.00 0.00 H new ATOM 0 HB THR A 614 2.694 -5.467 -8.427 1.00 0.00 H new ATOM 0 HG1 THR A 614 1.050 -4.822 -9.959 1.00 0.00 H new ATOM 0 HG21 THR A 614 0.709 -6.928 -8.517 1.00 0.00 H new ATOM 0 HG22 THR A 614 1.265 -6.744 -6.836 1.00 0.00 H new ATOM 0 HG23 THR A 614 -0.158 -5.840 -7.407 1.00 0.00 H new ATOM 1246 N TYR A 615 2.373 -4.582 -4.690 1.00 0.00 N ATOM 1247 CA TYR A 615 3.171 -5.015 -3.555 1.00 0.00 C ATOM 1248 C TYR A 615 2.904 -6.485 -3.227 1.00 0.00 C ATOM 1249 O TYR A 615 1.804 -6.841 -2.807 1.00 0.00 O ATOM 1250 CB TYR A 615 2.727 -4.152 -2.373 1.00 0.00 C ATOM 1251 CG TYR A 615 2.633 -4.912 -1.048 1.00 0.00 C ATOM 1252 CD1 TYR A 615 3.662 -5.743 -0.655 1.00 0.00 C ATOM 1253 CD2 TYR A 615 1.519 -4.766 -0.247 1.00 0.00 C ATOM 1254 CE1 TYR A 615 3.573 -6.459 0.592 1.00 0.00 C ATOM 1255 CE2 TYR A 615 1.430 -5.481 1.000 1.00 0.00 C ATOM 1256 CZ TYR A 615 2.462 -6.292 1.358 1.00 0.00 C ATOM 1257 OH TYR A 615 2.378 -6.967 2.535 1.00 0.00 O ATOM 0 H TYR A 615 1.408 -4.339 -4.465 1.00 0.00 H new ATOM 0 HA TYR A 615 4.234 -4.911 -3.771 1.00 0.00 H new ATOM 0 HB2 TYR A 615 3.428 -3.325 -2.257 1.00 0.00 H new ATOM 0 HB3 TYR A 615 1.754 -3.716 -2.600 1.00 0.00 H new ATOM 0 HD1 TYR A 615 4.534 -5.857 -1.282 1.00 0.00 H new ATOM 0 HD2 TYR A 615 0.714 -4.116 -0.555 1.00 0.00 H new ATOM 0 HE1 TYR A 615 4.371 -7.114 0.911 1.00 0.00 H new ATOM 0 HE2 TYR A 615 0.564 -5.376 1.636 1.00 0.00 H new ATOM 0 HH TYR A 615 3.111 -6.690 3.124 1.00 0.00 H new ATOM 1267 N THR A 616 3.929 -7.300 -3.430 1.00 0.00 N ATOM 1268 CA THR A 616 3.818 -8.724 -3.161 1.00 0.00 C ATOM 1269 C THR A 616 4.668 -9.104 -1.947 1.00 0.00 C ATOM 1270 O THR A 616 5.895 -9.121 -2.024 1.00 0.00 O ATOM 1271 CB THR A 616 4.207 -9.477 -4.435 1.00 0.00 C ATOM 1272 OG1 THR A 616 3.199 -9.113 -5.374 1.00 0.00 O ATOM 1273 CG2 THR A 616 4.050 -10.992 -4.289 1.00 0.00 C ATOM 0 H THR A 616 4.840 -7.001 -3.778 1.00 0.00 H new ATOM 0 HA THR A 616 2.796 -9.000 -2.902 1.00 0.00 H new ATOM 0 HB THR A 616 5.239 -9.242 -4.696 1.00 0.00 H new ATOM 0 HG1 THR A 616 3.374 -9.556 -6.230 1.00 0.00 H new ATOM 0 HG21 THR A 616 4.339 -11.479 -5.220 1.00 0.00 H new ATOM 0 HG22 THR A 616 4.688 -11.348 -3.480 1.00 0.00 H new ATOM 0 HG23 THR A 616 3.011 -11.230 -4.062 1.00 0.00 H new ATOM 1281 N PRO A 617 3.962 -9.408 -0.825 1.00 0.00 N ATOM 1282 CA PRO A 617 4.639 -9.788 0.404 1.00 0.00 C ATOM 1283 C PRO A 617 5.178 -11.217 0.314 1.00 0.00 C ATOM 1284 O PRO A 617 4.835 -11.957 -0.606 1.00 0.00 O ATOM 1285 CB PRO A 617 3.596 -9.614 1.497 1.00 0.00 C ATOM 1286 CG PRO A 617 2.251 -9.593 0.789 1.00 0.00 C ATOM 1287 CD PRO A 617 2.508 -9.399 -0.696 1.00 0.00 C ATOM 0 HA PRO A 617 5.517 -9.175 0.608 1.00 0.00 H new ATOM 0 HB2 PRO A 617 3.645 -10.430 2.218 1.00 0.00 H new ATOM 0 HB3 PRO A 617 3.761 -8.690 2.051 1.00 0.00 H new ATOM 0 HG2 PRO A 617 1.713 -10.524 0.965 1.00 0.00 H new ATOM 0 HG3 PRO A 617 1.628 -8.787 1.177 1.00 0.00 H new ATOM 0 HD2 PRO A 617 2.053 -10.196 -1.284 1.00 0.00 H new ATOM 0 HD3 PRO A 617 2.085 -8.460 -1.052 1.00 0.00 H new ATOM 1295 N GLY A 618 6.013 -11.562 1.283 1.00 0.00 N ATOM 1296 CA GLY A 618 6.604 -12.889 1.325 1.00 0.00 C ATOM 1297 C GLY A 618 6.044 -13.701 2.494 1.00 0.00 C ATOM 1298 O GLY A 618 4.941 -13.434 2.969 1.00 0.00 O ATOM 0 H GLY A 618 6.294 -10.946 2.045 1.00 0.00 H new ATOM 0 HA2 GLY A 618 6.406 -13.409 0.388 1.00 0.00 H new ATOM 0 HA3 GLY A 618 7.687 -12.806 1.421 1.00 0.00 H new ATOM 1302 N SER A 619 6.830 -14.677 2.925 1.00 0.00 N ATOM 1303 CA SER A 619 6.426 -15.530 4.030 1.00 0.00 C ATOM 1304 C SER A 619 7.531 -15.575 5.087 1.00 0.00 C ATOM 1305 O SER A 619 8.709 -15.421 4.767 1.00 0.00 O ATOM 1306 CB SER A 619 6.100 -16.944 3.544 1.00 0.00 C ATOM 1307 OG SER A 619 4.743 -17.064 3.126 1.00 0.00 O ATOM 0 H SER A 619 7.744 -14.896 2.529 1.00 0.00 H new ATOM 0 HA SER A 619 5.523 -15.110 4.474 1.00 0.00 H new ATOM 0 HB2 SER A 619 6.759 -17.204 2.716 1.00 0.00 H new ATOM 0 HB3 SER A 619 6.298 -17.657 4.344 1.00 0.00 H new ATOM 0 HG SER A 619 4.574 -17.980 2.821 1.00 0.00 H new ATOM 1313 N ASN A 620 7.112 -15.787 6.326 1.00 0.00 N ATOM 1314 CA ASN A 620 8.052 -15.853 7.433 1.00 0.00 C ATOM 1315 C ASN A 620 8.793 -14.520 7.548 1.00 0.00 C ATOM 1316 O ASN A 620 10.018 -14.476 7.452 1.00 0.00 O ATOM 1317 CB ASN A 620 9.091 -16.953 7.207 1.00 0.00 C ATOM 1318 CG ASN A 620 8.599 -18.294 7.757 1.00 0.00 C ATOM 1319 OD1 ASN A 620 7.906 -19.049 7.096 1.00 0.00 O ATOM 1320 ND2 ASN A 620 8.996 -18.546 9.002 1.00 0.00 N ATOM 0 H ASN A 620 6.135 -15.915 6.588 1.00 0.00 H new ATOM 0 HA ASN A 620 7.489 -16.069 8.341 1.00 0.00 H new ATOM 0 HB2 ASN A 620 9.300 -17.048 6.141 1.00 0.00 H new ATOM 0 HB3 ASN A 620 10.028 -16.679 7.692 1.00 0.00 H new ATOM 0 HD21 ASN A 620 8.720 -19.415 9.459 1.00 0.00 H new ATOM 0 HD22 ASN A 620 9.576 -17.870 9.499 1.00 0.00 H new ATOM 1327 N GLY A 621 8.018 -13.465 7.753 1.00 0.00 N ATOM 1328 CA GLY A 621 8.585 -12.133 7.883 1.00 0.00 C ATOM 1329 C GLY A 621 9.742 -11.932 6.902 1.00 0.00 C ATOM 1330 O GLY A 621 10.850 -11.582 7.305 1.00 0.00 O ATOM 0 H GLY A 621 7.002 -13.505 7.832 1.00 0.00 H new ATOM 0 HA2 GLY A 621 7.813 -11.386 7.699 1.00 0.00 H new ATOM 0 HA3 GLY A 621 8.938 -11.982 8.903 1.00 0.00 H new ATOM 1334 N ALA A 622 9.445 -12.162 5.631 1.00 0.00 N ATOM 1335 CA ALA A 622 10.446 -12.011 4.589 1.00 0.00 C ATOM 1336 C ALA A 622 9.958 -10.984 3.565 1.00 0.00 C ATOM 1337 O ALA A 622 9.087 -11.282 2.749 1.00 0.00 O ATOM 1338 CB ALA A 622 10.735 -13.374 3.956 1.00 0.00 C ATOM 0 H ALA A 622 8.525 -12.452 5.300 1.00 0.00 H new ATOM 0 HA ALA A 622 11.382 -11.641 5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 622 11.486 -13.260 3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 622 11.106 -14.058 4.719 1.00 0.00 H new ATOM 0 HB3 ALA A 622 9.819 -13.776 3.523 1.00 0.00 H new ATOM 1344 N ALA A 623 10.542 -9.797 3.640 1.00 0.00 N ATOM 1345 CA ALA A 623 10.178 -8.725 2.729 1.00 0.00 C ATOM 1346 C ALA A 623 10.018 -9.293 1.318 1.00 0.00 C ATOM 1347 O ALA A 623 10.684 -10.261 0.955 1.00 0.00 O ATOM 1348 CB ALA A 623 11.232 -7.618 2.797 1.00 0.00 C ATOM 0 H ALA A 623 11.265 -9.554 4.318 1.00 0.00 H new ATOM 0 HA ALA A 623 9.223 -8.284 3.016 1.00 0.00 H new ATOM 0 HB1 ALA A 623 10.959 -6.814 2.114 1.00 0.00 H new ATOM 0 HB2 ALA A 623 11.285 -7.228 3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 623 12.203 -8.022 2.512 1.00 0.00 H new ATOM 1354 N GLY A 624 9.131 -8.666 0.559 1.00 0.00 N ATOM 1355 CA GLY A 624 8.875 -9.097 -0.805 1.00 0.00 C ATOM 1356 C GLY A 624 9.438 -8.092 -1.812 1.00 0.00 C ATOM 1357 O GLY A 624 10.565 -7.623 -1.663 1.00 0.00 O ATOM 0 H GLY A 624 8.581 -7.863 0.863 1.00 0.00 H new ATOM 0 HA2 GLY A 624 9.325 -10.075 -0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 624 7.802 -9.210 -0.959 1.00 0.00 H new ATOM 1361 N THR A 625 8.626 -7.790 -2.815 1.00 0.00 N ATOM 1362 CA THR A 625 9.028 -6.849 -3.846 1.00 0.00 C ATOM 1363 C THR A 625 7.803 -6.147 -4.434 1.00 0.00 C ATOM 1364 O THR A 625 6.684 -6.645 -4.323 1.00 0.00 O ATOM 1365 CB THR A 625 9.850 -7.612 -4.887 1.00 0.00 C ATOM 1366 OG1 THR A 625 9.061 -8.763 -5.177 1.00 0.00 O ATOM 1367 CG2 THR A 625 11.145 -8.184 -4.307 1.00 0.00 C ATOM 0 H THR A 625 7.691 -8.181 -2.935 1.00 0.00 H new ATOM 0 HA THR A 625 9.652 -6.055 -3.436 1.00 0.00 H new ATOM 0 HB THR A 625 10.087 -6.949 -5.719 1.00 0.00 H new ATOM 0 HG1 THR A 625 9.519 -9.314 -5.846 1.00 0.00 H new ATOM 0 HG21 THR A 625 11.690 -8.715 -5.087 1.00 0.00 H new ATOM 0 HG22 THR A 625 11.762 -7.371 -3.923 1.00 0.00 H new ATOM 0 HG23 THR A 625 10.907 -8.873 -3.497 1.00 0.00 H new ATOM 1375 N ILE A 626 8.056 -5.000 -5.048 1.00 0.00 N ATOM 1376 CA ILE A 626 6.988 -4.224 -5.655 1.00 0.00 C ATOM 1377 C ILE A 626 7.189 -4.184 -7.171 1.00 0.00 C ATOM 1378 O ILE A 626 8.290 -3.911 -7.647 1.00 0.00 O ATOM 1379 CB ILE A 626 6.899 -2.840 -5.009 1.00 0.00 C ATOM 1380 CG1 ILE A 626 7.679 -2.796 -3.694 1.00 0.00 C ATOM 1381 CG2 ILE A 626 5.441 -2.413 -4.826 1.00 0.00 C ATOM 1382 CD1 ILE A 626 7.725 -1.375 -3.130 1.00 0.00 C ATOM 0 H ILE A 626 8.985 -4.590 -5.138 1.00 0.00 H new ATOM 0 HA ILE A 626 6.023 -4.698 -5.475 1.00 0.00 H new ATOM 0 HB ILE A 626 7.364 -2.119 -5.682 1.00 0.00 H new ATOM 0 HG12 ILE A 626 7.214 -3.464 -2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 626 8.694 -3.159 -3.857 1.00 0.00 H new ATOM 0 HG21 ILE A 626 5.406 -1.426 -4.365 1.00 0.00 H new ATOM 0 HG22 ILE A 626 4.948 -2.377 -5.797 1.00 0.00 H new ATOM 0 HG23 ILE A 626 4.929 -3.131 -4.185 1.00 0.00 H new ATOM 0 HD11 ILE A 626 8.285 -1.373 -2.195 1.00 0.00 H new ATOM 0 HD12 ILE A 626 8.213 -0.715 -3.847 1.00 0.00 H new ATOM 0 HD13 ILE A 626 6.710 -1.024 -2.945 1.00 0.00 H new ATOM 1394 N ARG A 627 6.109 -4.461 -7.887 1.00 0.00 N ATOM 1395 CA ARG A 627 6.154 -4.460 -9.339 1.00 0.00 C ATOM 1396 C ARG A 627 5.249 -3.359 -9.897 1.00 0.00 C ATOM 1397 O ARG A 627 4.048 -3.344 -9.632 1.00 0.00 O ATOM 1398 CB ARG A 627 5.710 -5.810 -9.904 1.00 0.00 C ATOM 1399 CG ARG A 627 6.876 -6.800 -9.940 1.00 0.00 C ATOM 1400 CD ARG A 627 7.415 -6.962 -11.363 1.00 0.00 C ATOM 1401 NE ARG A 627 8.375 -5.877 -11.667 1.00 0.00 N ATOM 1402 CZ ARG A 627 8.835 -5.599 -12.905 1.00 0.00 C ATOM 1403 NH1 ARG A 627 8.425 -6.323 -13.968 1.00 0.00 N ATOM 1404 NH2 ARG A 627 9.691 -4.606 -13.062 1.00 0.00 N ATOM 0 H ARG A 627 5.198 -4.688 -7.488 1.00 0.00 H new ATOM 0 HA ARG A 627 7.185 -4.275 -9.639 1.00 0.00 H new ATOM 0 HB2 ARG A 627 4.903 -6.216 -9.294 1.00 0.00 H new ATOM 0 HB3 ARG A 627 5.312 -5.674 -10.910 1.00 0.00 H new ATOM 0 HG2 ARG A 627 7.673 -6.452 -9.283 1.00 0.00 H new ATOM 0 HG3 ARG A 627 6.548 -7.767 -9.559 1.00 0.00 H new ATOM 0 HD2 ARG A 627 7.903 -7.931 -11.468 1.00 0.00 H new ATOM 0 HD3 ARG A 627 6.592 -6.941 -12.077 1.00 0.00 H new ATOM 0 HE ARG A 627 8.710 -5.304 -10.893 1.00 0.00 H new ATOM 0 HH11 ARG A 627 7.762 -7.087 -13.839 1.00 0.00 H new ATOM 0 HH12 ARG A 627 8.778 -6.106 -14.900 1.00 0.00 H new ATOM 0 HH21 ARG A 627 9.995 -4.062 -12.254 1.00 0.00 H new ATOM 0 HH22 ARG A 627 10.048 -4.383 -13.991 1.00 0.00 H new ATOM 1417 N THR A 628 5.861 -2.465 -10.659 1.00 0.00 N ATOM 1418 CA THR A 628 5.126 -1.363 -11.257 1.00 0.00 C ATOM 1419 C THR A 628 4.332 -1.848 -12.471 1.00 0.00 C ATOM 1420 O THR A 628 4.770 -2.750 -13.184 1.00 0.00 O ATOM 1421 CB THR A 628 6.125 -0.253 -11.588 1.00 0.00 C ATOM 1422 OG1 THR A 628 7.360 -0.728 -11.061 1.00 0.00 O ATOM 1423 CG2 THR A 628 5.855 1.032 -10.803 1.00 0.00 C ATOM 0 H THR A 628 6.857 -2.481 -10.876 1.00 0.00 H new ATOM 0 HA THR A 628 4.387 -0.959 -10.565 1.00 0.00 H new ATOM 0 HB THR A 628 6.089 -0.040 -12.656 1.00 0.00 H new ATOM 0 HG1 THR A 628 8.064 -0.069 -11.234 1.00 0.00 H new ATOM 0 HG21 THR A 628 6.593 1.787 -11.076 1.00 0.00 H new ATOM 0 HG22 THR A 628 4.856 1.399 -11.038 1.00 0.00 H new ATOM 0 HG23 THR A 628 5.924 0.827 -9.735 1.00 0.00 H new ATOM 1431 N GLY A 629 3.178 -1.228 -12.670 1.00 0.00 N ATOM 1432 CA GLY A 629 2.319 -1.585 -13.786 1.00 0.00 C ATOM 1433 C GLY A 629 1.060 -2.306 -13.300 1.00 0.00 C ATOM 1434 O GLY A 629 1.122 -3.119 -12.379 1.00 0.00 O ATOM 0 H GLY A 629 2.818 -0.480 -12.077 1.00 0.00 H new ATOM 0 HA2 GLY A 629 2.039 -0.686 -14.336 1.00 0.00 H new ATOM 0 HA3 GLY A 629 2.865 -2.225 -14.479 1.00 0.00 H new ATOM 1438 N ALA A 630 -0.053 -1.982 -13.941 1.00 0.00 N ATOM 1439 CA ALA A 630 -1.325 -2.588 -13.585 1.00 0.00 C ATOM 1440 C ALA A 630 -1.229 -4.105 -13.763 1.00 0.00 C ATOM 1441 O ALA A 630 -0.965 -4.589 -14.863 1.00 0.00 O ATOM 1442 CB ALA A 630 -2.440 -1.971 -14.432 1.00 0.00 C ATOM 0 H ALA A 630 -0.101 -1.308 -14.705 1.00 0.00 H new ATOM 0 HA ALA A 630 -1.564 -2.393 -12.540 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -3.394 -2.426 -14.165 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -2.485 -0.898 -14.248 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -2.236 -2.150 -15.488 1.00 0.00 H new ATOM 1448 N PRO A 631 -1.455 -4.831 -12.636 1.00 0.00 N ATOM 1449 CA PRO A 631 -1.397 -6.283 -12.657 1.00 0.00 C ATOM 1450 C PRO A 631 -2.640 -6.872 -13.326 1.00 0.00 C ATOM 1451 O PRO A 631 -3.696 -6.241 -13.347 1.00 0.00 O ATOM 1452 CB PRO A 631 -1.257 -6.692 -11.199 1.00 0.00 C ATOM 1453 CG PRO A 631 -1.708 -5.491 -10.384 1.00 0.00 C ATOM 1454 CD PRO A 631 -1.770 -4.292 -11.316 1.00 0.00 C ATOM 0 HA PRO A 631 -0.562 -6.662 -13.246 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -1.870 -7.566 -10.978 1.00 0.00 H new ATOM 0 HB3 PRO A 631 -0.226 -6.958 -10.965 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -2.684 -5.678 -9.937 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -1.013 -5.303 -9.565 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -2.757 -3.831 -11.302 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -1.055 -3.524 -11.021 1.00 0.00 H new ATOM 1462 N SER A 632 -2.473 -8.074 -13.859 1.00 0.00 N ATOM 1463 CA SER A 632 -3.569 -8.755 -14.527 1.00 0.00 C ATOM 1464 C SER A 632 -3.411 -10.269 -14.381 1.00 0.00 C ATOM 1465 O SER A 632 -3.013 -10.949 -15.326 1.00 0.00 O ATOM 1466 CB SER A 632 -3.636 -8.368 -16.006 1.00 0.00 C ATOM 1467 OG SER A 632 -4.788 -8.911 -16.648 1.00 0.00 O ATOM 0 H SER A 632 -1.595 -8.593 -13.842 1.00 0.00 H new ATOM 0 HA SER A 632 -4.502 -8.447 -14.055 1.00 0.00 H new ATOM 0 HB2 SER A 632 -3.649 -7.282 -16.096 1.00 0.00 H new ATOM 0 HB3 SER A 632 -2.738 -8.720 -16.514 1.00 0.00 H new ATOM 0 HG SER A 632 -4.796 -8.640 -17.590 1.00 0.00 H new ATOM 1473 N GLY A 633 -3.731 -10.753 -13.190 1.00 0.00 N ATOM 1474 CA GLY A 633 -3.629 -12.175 -12.908 1.00 0.00 C ATOM 1475 C GLY A 633 -4.769 -12.636 -11.998 1.00 0.00 C ATOM 1476 O GLY A 633 -5.141 -13.809 -12.008 1.00 0.00 O ATOM 0 H GLY A 633 -4.061 -10.186 -12.409 1.00 0.00 H new ATOM 0 HA2 GLY A 633 -3.654 -12.737 -13.841 1.00 0.00 H new ATOM 0 HA3 GLY A 633 -2.671 -12.388 -12.433 1.00 0.00 H new TER 1480 GLY A 633