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 609 SER OG : rot 180:sc= -0.152 USER MOD Set 1.2: A 610 THR OG1 : rot 180:sc= 0.00363 USER MOD Set 2.1: A 537 THR OG1 : rot 180:sc= -0.0659 USER MOD Set 2.2: A 578 THR OG1 : rot 180:sc= 0 USER MOD Single : A 532 THR OG1 : rot 180:sc= 0 USER MOD Single : A 533 THR OG1 : rot -78:sc= 0.503 USER MOD Single : A 534 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.3!) USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 539 TYR OH : rot 165:sc=-0.00486 USER MOD Single : A 540 TYR OH : rot 180:sc= 0 USER MOD Single : A 541 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 542 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 546 SER OG : rot 56:sc= 0.0113 USER MOD Single : A 548 TYR OH : rot 180:sc= 0 USER MOD Single : A 550 HIS :FLIP no HE2:sc= -4.35! F(o=-6.1,f=-4.4!) USER MOD Single : A 551 TYR OH : rot 165:sc= -4.66! USER MOD Single : A 557 SER OG : rot 180:sc= 0 USER MOD Single : A 559 THR OG1 : rot 104:sc= 0.0622 USER MOD Single : A 565 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.417) USER MOD Single : A 566 MET CE :methyl -156:sc= -8.66! (180deg=-12.3!) USER MOD Single : A 567 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 572 SER OG : rot 70:sc= 0.239 USER MOD Single : A 574 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 583 SER OG : rot 180:sc= 0 USER MOD Single : A 585 SER OG : rot 180:sc= 0 USER MOD Single : A 586 GLN : amide:sc= -0.0198 X(o=-0.02,f=-0.11) USER MOD Single : A 592 ASN : amide:sc= -0.306 K(o=-0.31,f=-1.7) USER MOD Single : A 595 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 596 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 597 ASN : amide:sc=-0.00999 X(o=-0.01,f=0) USER MOD Single : A 600 SER OG : rot 180:sc= 0.495 USER MOD Single : A 601 ASN : amide:sc= -1.83 K(o=-1.8,f=-4.2!) USER MOD Single : A 602 ASN : amide:sc=-0.00837 X(o=-0.0084,f=0) USER MOD Single : A 603 THR OG1 : rot -55:sc= 1.18 USER MOD Single : A 604 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 605 ASN : amide:sc= -0.0538 X(o=-0.054,f=-0.087) USER MOD Single : A 606 TYR OH : rot 30:sc= 0 USER MOD Single : A 612 THR OG1 : rot 180:sc= 0 USER MOD Single : A 613 SER OG : rot -33:sc= 0.00598 USER MOD Single : A 614 THR OG1 : rot 180:sc= -0.0901 USER MOD Single : A 615 TYR OH : rot -101:sc= -1.86 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=-0.1) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 628 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 632 SER OG : rot 50:sc= 0.641 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 530 0.107 22.418 -10.346 1.00 0.00 N ATOM 2 CA GLY A 530 0.148 23.011 -9.020 1.00 0.00 C ATOM 3 C GLY A 530 -0.892 22.369 -8.100 1.00 0.00 C ATOM 4 O GLY A 530 -0.698 21.254 -7.620 1.00 0.00 O ATOM 0 HA2 GLY A 530 1.143 22.887 -8.593 1.00 0.00 H new ATOM 0 HA3 GLY A 530 -0.037 24.083 -9.091 1.00 0.00 H new ATOM 8 N GLY A 531 -1.974 23.102 -7.882 1.00 0.00 N ATOM 9 CA GLY A 531 -3.046 22.618 -7.028 1.00 0.00 C ATOM 10 C GLY A 531 -3.860 21.531 -7.732 1.00 0.00 C ATOM 11 O GLY A 531 -4.697 21.830 -8.582 1.00 0.00 O ATOM 0 H GLY A 531 -2.132 24.027 -8.282 1.00 0.00 H new ATOM 0 HA2 GLY A 531 -2.628 22.222 -6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 531 -3.699 23.446 -6.754 1.00 0.00 H new ATOM 15 N THR A 532 -3.585 20.292 -7.352 1.00 0.00 N ATOM 16 CA THR A 532 -4.282 19.158 -7.936 1.00 0.00 C ATOM 17 C THR A 532 -4.409 18.026 -6.915 1.00 0.00 C ATOM 18 O THR A 532 -3.875 18.119 -5.811 1.00 0.00 O ATOM 19 CB THR A 532 -3.535 18.748 -9.207 1.00 0.00 C ATOM 20 OG1 THR A 532 -2.162 18.767 -8.825 1.00 0.00 O ATOM 21 CG2 THR A 532 -3.629 19.807 -10.309 1.00 0.00 C ATOM 0 H THR A 532 -2.889 20.048 -6.647 1.00 0.00 H new ATOM 0 HA THR A 532 -5.303 19.421 -8.211 1.00 0.00 H new ATOM 0 HB THR A 532 -3.937 17.804 -9.575 1.00 0.00 H new ATOM 0 HG1 THR A 532 -1.606 18.512 -9.590 1.00 0.00 H new ATOM 0 HG21 THR A 532 -3.082 19.467 -11.188 1.00 0.00 H new ATOM 0 HG22 THR A 532 -4.675 19.967 -10.571 1.00 0.00 H new ATOM 0 HG23 THR A 532 -3.197 20.742 -9.953 1.00 0.00 H new ATOM 29 N THR A 533 -5.119 16.984 -7.320 1.00 0.00 N ATOM 30 CA THR A 533 -5.323 15.835 -6.454 1.00 0.00 C ATOM 31 C THR A 533 -5.033 14.538 -7.212 1.00 0.00 C ATOM 32 O THR A 533 -5.791 14.151 -8.100 1.00 0.00 O ATOM 33 CB THR A 533 -6.746 15.909 -5.898 1.00 0.00 C ATOM 34 OG1 THR A 533 -6.577 15.773 -4.490 1.00 0.00 O ATOM 35 CG2 THR A 533 -7.592 14.696 -6.291 1.00 0.00 C ATOM 0 H THR A 533 -5.561 16.911 -8.237 1.00 0.00 H new ATOM 0 HA THR A 533 -4.629 15.845 -5.613 1.00 0.00 H new ATOM 0 HB THR A 533 -7.228 16.819 -6.256 1.00 0.00 H new ATOM 0 HG1 THR A 533 -6.422 14.831 -4.269 1.00 0.00 H new ATOM 0 HG21 THR A 533 -8.593 14.799 -5.871 1.00 0.00 H new ATOM 0 HG22 THR A 533 -7.659 14.636 -7.377 1.00 0.00 H new ATOM 0 HG23 THR A 533 -7.128 13.788 -5.905 1.00 0.00 H new ATOM 43 N ASN A 534 -3.935 13.901 -6.832 1.00 0.00 N ATOM 44 CA ASN A 534 -3.536 12.655 -7.465 1.00 0.00 C ATOM 45 C ASN A 534 -3.913 11.483 -6.556 1.00 0.00 C ATOM 46 O ASN A 534 -4.399 11.687 -5.445 1.00 0.00 O ATOM 47 CB ASN A 534 -2.023 12.612 -7.689 1.00 0.00 C ATOM 48 CG ASN A 534 -1.691 12.559 -9.182 1.00 0.00 C ATOM 49 OD1 ASN A 534 -2.452 12.062 -9.996 1.00 0.00 O ATOM 50 ND2 ASN A 534 -0.517 13.099 -9.495 1.00 0.00 N ATOM 0 H ASN A 534 -3.309 14.224 -6.094 1.00 0.00 H new ATOM 0 HA ASN A 534 -4.045 12.586 -8.426 1.00 0.00 H new ATOM 0 HB2 ASN A 534 -1.560 13.491 -7.241 1.00 0.00 H new ATOM 0 HB3 ASN A 534 -1.602 11.740 -7.188 1.00 0.00 H new ATOM 0 HD21 ASN A 534 -0.205 13.114 -10.466 1.00 0.00 H new ATOM 0 HD22 ASN A 534 0.072 13.498 -8.764 1.00 0.00 H new ATOM 57 N LYS A 535 -3.674 10.283 -7.063 1.00 0.00 N ATOM 58 CA LYS A 535 -3.982 9.078 -6.311 1.00 0.00 C ATOM 59 C LYS A 535 -2.942 8.002 -6.630 1.00 0.00 C ATOM 60 O LYS A 535 -2.388 7.976 -7.728 1.00 0.00 O ATOM 61 CB LYS A 535 -5.424 8.637 -6.573 1.00 0.00 C ATOM 62 CG LYS A 535 -6.417 9.692 -6.081 1.00 0.00 C ATOM 63 CD LYS A 535 -6.734 10.703 -7.185 1.00 0.00 C ATOM 64 CE LYS A 535 -7.973 10.280 -7.977 1.00 0.00 C ATOM 65 NZ LYS A 535 -8.675 11.467 -8.514 1.00 0.00 N ATOM 0 H LYS A 535 -3.271 10.119 -7.985 1.00 0.00 H new ATOM 0 HA LYS A 535 -3.922 9.272 -5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 535 -5.568 8.466 -7.640 1.00 0.00 H new ATOM 0 HB3 LYS A 535 -5.616 7.689 -6.070 1.00 0.00 H new ATOM 0 HG2 LYS A 535 -7.336 9.207 -5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 535 -6.004 10.210 -5.216 1.00 0.00 H new ATOM 0 HD2 LYS A 535 -6.897 11.687 -6.746 1.00 0.00 H new ATOM 0 HD3 LYS A 535 -5.881 10.792 -7.858 1.00 0.00 H new ATOM 0 HE2 LYS A 535 -7.682 9.621 -8.795 1.00 0.00 H new ATOM 0 HE3 LYS A 535 -8.646 9.712 -7.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 -9.513 11.162 -9.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 -8.970 12.081 -7.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 -8.036 11.993 -9.143 1.00 0.00 H new ATOM 78 N VAL A 536 -2.709 7.141 -5.651 1.00 0.00 N ATOM 79 CA VAL A 536 -1.745 6.066 -5.814 1.00 0.00 C ATOM 80 C VAL A 536 -2.459 4.721 -5.669 1.00 0.00 C ATOM 81 O VAL A 536 -3.051 4.437 -4.629 1.00 0.00 O ATOM 82 CB VAL A 536 -0.593 6.241 -4.823 1.00 0.00 C ATOM 83 CG1 VAL A 536 0.750 5.912 -5.480 1.00 0.00 C ATOM 84 CG2 VAL A 536 -0.585 7.654 -4.236 1.00 0.00 C ATOM 0 H VAL A 536 -3.171 7.166 -4.742 1.00 0.00 H new ATOM 0 HA VAL A 536 -1.305 6.095 -6.811 1.00 0.00 H new ATOM 0 HB VAL A 536 -0.746 5.539 -4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 536 1.552 6.044 -4.754 1.00 0.00 H new ATOM 0 HG12 VAL A 536 0.742 4.879 -5.827 1.00 0.00 H new ATOM 0 HG13 VAL A 536 0.914 6.578 -6.327 1.00 0.00 H new ATOM 0 HG21 VAL A 536 0.244 7.752 -3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -0.468 8.381 -5.040 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -1.525 7.837 -3.715 1.00 0.00 H new ATOM 94 N THR A 537 -2.380 3.927 -6.727 1.00 0.00 N ATOM 95 CA THR A 537 -3.011 2.619 -6.731 1.00 0.00 C ATOM 96 C THR A 537 -1.967 1.522 -6.510 1.00 0.00 C ATOM 97 O THR A 537 -1.012 1.407 -7.276 1.00 0.00 O ATOM 98 CB THR A 537 -3.782 2.469 -8.044 1.00 0.00 C ATOM 99 OG1 THR A 537 -4.861 3.390 -7.921 1.00 0.00 O ATOM 100 CG2 THR A 537 -4.467 1.106 -8.169 1.00 0.00 C ATOM 0 H THR A 537 -1.888 4.165 -7.588 1.00 0.00 H new ATOM 0 HA THR A 537 -3.720 2.520 -5.909 1.00 0.00 H new ATOM 0 HB THR A 537 -3.100 2.611 -8.883 1.00 0.00 H new ATOM 0 HG1 THR A 537 -5.412 3.359 -8.731 1.00 0.00 H new ATOM 0 HG21 THR A 537 -5.000 1.052 -9.118 1.00 0.00 H new ATOM 0 HG22 THR A 537 -3.716 0.317 -8.129 1.00 0.00 H new ATOM 0 HG23 THR A 537 -5.173 0.977 -7.349 1.00 0.00 H new ATOM 108 N VAL A 538 -2.185 0.745 -5.459 1.00 0.00 N ATOM 109 CA VAL A 538 -1.275 -0.338 -5.128 1.00 0.00 C ATOM 110 C VAL A 538 -2.068 -1.639 -4.985 1.00 0.00 C ATOM 111 O VAL A 538 -3.090 -1.675 -4.301 1.00 0.00 O ATOM 112 CB VAL A 538 -0.475 0.016 -3.873 1.00 0.00 C ATOM 113 CG1 VAL A 538 0.869 -0.715 -3.855 1.00 0.00 C ATOM 114 CG2 VAL A 538 -0.279 1.529 -3.756 1.00 0.00 C ATOM 0 H VAL A 538 -2.979 0.844 -4.826 1.00 0.00 H new ATOM 0 HA VAL A 538 -0.550 -0.486 -5.928 1.00 0.00 H new ATOM 0 HB VAL A 538 -1.047 -0.315 -3.006 1.00 0.00 H new ATOM 0 HG11 VAL A 538 1.418 -0.446 -2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 538 0.698 -1.791 -3.868 1.00 0.00 H new ATOM 0 HG13 VAL A 538 1.450 -0.429 -4.732 1.00 0.00 H new ATOM 0 HG21 VAL A 538 0.293 1.753 -2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 538 0.261 1.894 -4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 538 -1.251 2.019 -3.700 1.00 0.00 H new ATOM 124 N TYR A 539 -1.567 -2.675 -5.641 1.00 0.00 N ATOM 125 CA TYR A 539 -2.215 -3.974 -5.596 1.00 0.00 C ATOM 126 C TYR A 539 -1.428 -4.950 -4.719 1.00 0.00 C ATOM 127 O TYR A 539 -0.223 -5.119 -4.900 1.00 0.00 O ATOM 128 CB TYR A 539 -2.223 -4.493 -7.035 1.00 0.00 C ATOM 129 CG TYR A 539 -3.529 -4.226 -7.786 1.00 0.00 C ATOM 130 CD1 TYR A 539 -3.925 -2.929 -8.042 1.00 0.00 C ATOM 131 CD2 TYR A 539 -4.310 -5.283 -8.208 1.00 0.00 C ATOM 132 CE1 TYR A 539 -5.154 -2.678 -8.749 1.00 0.00 C ATOM 133 CE2 TYR A 539 -5.540 -5.032 -8.915 1.00 0.00 C ATOM 134 CZ TYR A 539 -5.901 -3.742 -9.150 1.00 0.00 C ATOM 135 OH TYR A 539 -7.062 -3.505 -9.818 1.00 0.00 O ATOM 0 H TYR A 539 -0.719 -2.641 -6.207 1.00 0.00 H new ATOM 0 HA TYR A 539 -3.218 -3.887 -5.178 1.00 0.00 H new ATOM 0 HB2 TYR A 539 -1.401 -4.031 -7.581 1.00 0.00 H new ATOM 0 HB3 TYR A 539 -2.035 -5.567 -7.024 1.00 0.00 H new ATOM 0 HD1 TYR A 539 -3.313 -2.102 -7.712 1.00 0.00 H new ATOM 0 HD2 TYR A 539 -3.999 -6.298 -8.008 1.00 0.00 H new ATOM 0 HE1 TYR A 539 -5.476 -1.668 -8.956 1.00 0.00 H new ATOM 0 HE2 TYR A 539 -6.161 -5.849 -9.251 1.00 0.00 H new ATOM 0 HH TYR A 539 -7.366 -4.331 -10.249 1.00 0.00 H new ATOM 145 N TYR A 540 -2.141 -5.566 -3.787 1.00 0.00 N ATOM 146 CA TYR A 540 -1.523 -6.520 -2.882 1.00 0.00 C ATOM 147 C TYR A 540 -2.158 -7.905 -3.029 1.00 0.00 C ATOM 148 O TYR A 540 -3.373 -8.022 -3.174 1.00 0.00 O ATOM 149 CB TYR A 540 -1.792 -5.996 -1.470 1.00 0.00 C ATOM 150 CG TYR A 540 -1.656 -7.058 -0.376 1.00 0.00 C ATOM 151 CD1 TYR A 540 -0.587 -7.930 -0.391 1.00 0.00 C ATOM 152 CD2 TYR A 540 -2.602 -7.142 0.625 1.00 0.00 C ATOM 153 CE1 TYR A 540 -0.459 -8.929 0.639 1.00 0.00 C ATOM 154 CE2 TYR A 540 -2.474 -8.141 1.655 1.00 0.00 C ATOM 155 CZ TYR A 540 -1.409 -8.985 1.611 1.00 0.00 C ATOM 156 OH TYR A 540 -1.288 -9.928 2.583 1.00 0.00 O ATOM 0 H TYR A 540 -3.140 -5.423 -3.639 1.00 0.00 H new ATOM 0 HA TYR A 540 -0.459 -6.619 -3.096 1.00 0.00 H new ATOM 0 HB2 TYR A 540 -1.101 -5.180 -1.258 1.00 0.00 H new ATOM 0 HB3 TYR A 540 -2.798 -5.579 -1.434 1.00 0.00 H new ATOM 0 HD1 TYR A 540 0.153 -7.864 -1.174 1.00 0.00 H new ATOM 0 HD2 TYR A 540 -3.438 -6.459 0.636 1.00 0.00 H new ATOM 0 HE1 TYR A 540 0.373 -9.618 0.639 1.00 0.00 H new ATOM 0 HE2 TYR A 540 -3.207 -8.218 2.444 1.00 0.00 H new ATOM 0 HH TYR A 540 -2.037 -9.849 3.210 1.00 0.00 H new ATOM 166 N LYS A 541 -1.305 -8.918 -2.986 1.00 0.00 N ATOM 167 CA LYS A 541 -1.767 -10.290 -3.112 1.00 0.00 C ATOM 168 C LYS A 541 -2.041 -10.862 -1.720 1.00 0.00 C ATOM 169 O LYS A 541 -1.116 -11.061 -0.934 1.00 0.00 O ATOM 170 CB LYS A 541 -0.774 -11.116 -3.932 1.00 0.00 C ATOM 171 CG LYS A 541 -1.470 -12.304 -4.601 1.00 0.00 C ATOM 172 CD LYS A 541 -0.576 -13.546 -4.580 1.00 0.00 C ATOM 173 CE LYS A 541 -0.425 -14.136 -5.984 1.00 0.00 C ATOM 174 NZ LYS A 541 0.751 -15.033 -6.044 1.00 0.00 N ATOM 0 H LYS A 541 -0.297 -8.816 -2.866 1.00 0.00 H new ATOM 0 HA LYS A 541 -2.707 -10.326 -3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -0.311 -10.486 -4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 541 0.026 -11.476 -3.286 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -2.407 -12.517 -4.087 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -1.722 -12.050 -5.631 1.00 0.00 H new ATOM 0 HD2 LYS A 541 0.405 -13.286 -4.184 1.00 0.00 H new ATOM 0 HD3 LYS A 541 -1.002 -14.294 -3.911 1.00 0.00 H new ATOM 0 HE2 LYS A 541 -1.326 -14.689 -6.252 1.00 0.00 H new ATOM 0 HE3 LYS A 541 -0.315 -13.333 -6.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 0.840 -15.425 -7.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 1.610 -14.496 -5.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 0.631 -15.809 -5.362 1.00 0.00 H new ATOM 187 N LYS A 542 -3.315 -11.110 -1.457 1.00 0.00 N ATOM 188 CA LYS A 542 -3.722 -11.656 -0.173 1.00 0.00 C ATOM 189 C LYS A 542 -4.069 -13.136 -0.339 1.00 0.00 C ATOM 190 O LYS A 542 -4.618 -13.538 -1.365 1.00 0.00 O ATOM 191 CB LYS A 542 -4.856 -10.822 0.428 1.00 0.00 C ATOM 192 CG LYS A 542 -6.194 -11.557 0.319 1.00 0.00 C ATOM 193 CD LYS A 542 -6.442 -12.430 1.551 1.00 0.00 C ATOM 194 CE LYS A 542 -6.505 -13.910 1.170 1.00 0.00 C ATOM 195 NZ LYS A 542 -7.863 -14.449 1.406 1.00 0.00 N ATOM 0 H LYS A 542 -4.080 -10.943 -2.111 1.00 0.00 H new ATOM 0 HA LYS A 542 -2.901 -11.600 0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 542 -4.639 -10.607 1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 542 -4.920 -9.864 -0.088 1.00 0.00 H new ATOM 0 HG2 LYS A 542 -7.003 -10.834 0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 542 -6.201 -12.177 -0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 542 -5.647 -12.272 2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 542 -7.376 -12.134 2.029 1.00 0.00 H new ATOM 0 HE2 LYS A 542 -6.236 -14.033 0.121 1.00 0.00 H new ATOM 0 HE3 LYS A 542 -5.777 -14.473 1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 542 -7.888 -15.455 1.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 542 -8.106 -14.349 2.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 542 -8.550 -13.923 0.830 1.00 0.00 H new ATOM 208 N GLY A 543 -3.735 -13.908 0.684 1.00 0.00 N ATOM 209 CA GLY A 543 -3.088 -13.352 1.861 1.00 0.00 C ATOM 210 C GLY A 543 -3.682 -13.941 3.142 1.00 0.00 C ATOM 211 O GLY A 543 -3.844 -15.155 3.255 1.00 0.00 O ATOM 0 H GLY A 543 -3.900 -14.914 0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 543 -2.018 -13.558 1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 543 -3.204 -12.268 1.867 1.00 0.00 H new ATOM 215 N PHE A 544 -3.989 -13.053 4.076 1.00 0.00 N ATOM 216 CA PHE A 544 -4.561 -13.469 5.346 1.00 0.00 C ATOM 217 C PHE A 544 -6.090 -13.458 5.288 1.00 0.00 C ATOM 218 O PHE A 544 -6.673 -13.337 4.212 1.00 0.00 O ATOM 219 CB PHE A 544 -4.094 -12.462 6.398 1.00 0.00 C ATOM 220 CG PHE A 544 -2.582 -12.461 6.632 1.00 0.00 C ATOM 221 CD1 PHE A 544 -1.749 -11.941 5.692 1.00 0.00 C ATOM 222 CD2 PHE A 544 -2.072 -12.981 7.781 1.00 0.00 C ATOM 223 CE1 PHE A 544 -0.346 -11.940 5.909 1.00 0.00 C ATOM 224 CE2 PHE A 544 -0.668 -12.981 7.998 1.00 0.00 C ATOM 225 CZ PHE A 544 0.165 -12.460 7.057 1.00 0.00 C ATOM 0 H PHE A 544 -3.853 -12.047 3.979 1.00 0.00 H new ATOM 0 HA PHE A 544 -4.241 -14.483 5.584 1.00 0.00 H new ATOM 0 HB2 PHE A 544 -4.404 -11.463 6.092 1.00 0.00 H new ATOM 0 HB3 PHE A 544 -4.597 -12.678 7.341 1.00 0.00 H new ATOM 0 HD1 PHE A 544 -2.155 -11.529 4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 544 -2.734 -13.394 8.528 1.00 0.00 H new ATOM 0 HE1 PHE A 544 0.316 -11.526 5.162 1.00 0.00 H new ATOM 0 HE2 PHE A 544 -0.262 -13.394 8.909 1.00 0.00 H new ATOM 0 HZ PHE A 544 1.232 -12.459 7.222 1.00 0.00 H new ATOM 235 N ASN A 545 -6.695 -13.585 6.460 1.00 0.00 N ATOM 236 CA ASN A 545 -8.145 -13.591 6.557 1.00 0.00 C ATOM 237 C ASN A 545 -8.636 -12.179 6.880 1.00 0.00 C ATOM 238 O ASN A 545 -9.825 -11.970 7.117 1.00 0.00 O ATOM 239 CB ASN A 545 -8.619 -14.524 7.673 1.00 0.00 C ATOM 240 CG ASN A 545 -8.403 -15.990 7.292 1.00 0.00 C ATOM 241 OD1 ASN A 545 -9.280 -16.657 6.769 1.00 0.00 O ATOM 242 ND2 ASN A 545 -7.190 -16.451 7.583 1.00 0.00 N ATOM 0 H ASN A 545 -6.208 -13.685 7.350 1.00 0.00 H new ATOM 0 HA ASN A 545 -8.545 -13.937 5.604 1.00 0.00 H new ATOM 0 HB2 ASN A 545 -8.078 -14.300 8.593 1.00 0.00 H new ATOM 0 HB3 ASN A 545 -9.676 -14.349 7.874 1.00 0.00 H new ATOM 0 HD21 ASN A 545 -6.947 -17.418 7.368 1.00 0.00 H new ATOM 0 HD22 ASN A 545 -6.503 -15.838 8.021 1.00 0.00 H new ATOM 249 N SER A 546 -7.696 -11.245 6.879 1.00 0.00 N ATOM 250 CA SER A 546 -8.018 -9.858 7.169 1.00 0.00 C ATOM 251 C SER A 546 -6.732 -9.041 7.309 1.00 0.00 C ATOM 252 O SER A 546 -6.429 -8.535 8.389 1.00 0.00 O ATOM 253 CB SER A 546 -8.862 -9.743 8.440 1.00 0.00 C ATOM 254 OG SER A 546 -8.323 -10.515 9.510 1.00 0.00 O ATOM 0 H SER A 546 -6.711 -11.422 6.682 1.00 0.00 H new ATOM 0 HA SER A 546 -8.604 -9.462 6.340 1.00 0.00 H new ATOM 0 HB2 SER A 546 -8.922 -8.697 8.742 1.00 0.00 H new ATOM 0 HB3 SER A 546 -9.879 -10.074 8.231 1.00 0.00 H new ATOM 0 HG SER A 546 -7.393 -10.250 9.668 1.00 0.00 H new ATOM 260 N PRO A 547 -5.992 -8.934 6.173 1.00 0.00 N ATOM 261 CA PRO A 547 -4.747 -8.186 6.160 1.00 0.00 C ATOM 262 C PRO A 547 -5.012 -6.679 6.170 1.00 0.00 C ATOM 263 O PRO A 547 -5.981 -6.211 5.575 1.00 0.00 O ATOM 264 CB PRO A 547 -4.022 -8.652 4.908 1.00 0.00 C ATOM 265 CG PRO A 547 -5.082 -9.292 4.026 1.00 0.00 C ATOM 266 CD PRO A 547 -6.321 -9.519 4.877 1.00 0.00 C ATOM 0 HA PRO A 547 -4.140 -8.365 7.047 1.00 0.00 H new ATOM 0 HB2 PRO A 547 -3.544 -7.815 4.399 1.00 0.00 H new ATOM 0 HB3 PRO A 547 -3.236 -9.366 5.155 1.00 0.00 H new ATOM 0 HG2 PRO A 547 -5.314 -8.647 3.179 1.00 0.00 H new ATOM 0 HG3 PRO A 547 -4.720 -10.236 3.618 1.00 0.00 H new ATOM 0 HD2 PRO A 547 -7.196 -9.041 4.437 1.00 0.00 H new ATOM 0 HD3 PRO A 547 -6.550 -10.581 4.968 1.00 0.00 H new ATOM 274 N TYR A 548 -4.133 -5.961 6.854 1.00 0.00 N ATOM 275 CA TYR A 548 -4.259 -4.516 6.950 1.00 0.00 C ATOM 276 C TYR A 548 -2.987 -3.821 6.463 1.00 0.00 C ATOM 277 O TYR A 548 -1.889 -4.359 6.601 1.00 0.00 O ATOM 278 CB TYR A 548 -4.458 -4.209 8.435 1.00 0.00 C ATOM 279 CG TYR A 548 -5.909 -3.916 8.821 1.00 0.00 C ATOM 280 CD1 TYR A 548 -6.525 -2.766 8.370 1.00 0.00 C ATOM 281 CD2 TYR A 548 -6.603 -4.801 9.621 1.00 0.00 C ATOM 282 CE1 TYR A 548 -7.891 -2.491 8.733 1.00 0.00 C ATOM 283 CE2 TYR A 548 -7.969 -4.526 9.984 1.00 0.00 C ATOM 284 CZ TYR A 548 -8.545 -3.384 9.522 1.00 0.00 C ATOM 285 OH TYR A 548 -9.835 -3.123 9.865 1.00 0.00 O ATOM 0 H TYR A 548 -3.331 -6.353 7.347 1.00 0.00 H new ATOM 0 HA TYR A 548 -5.086 -4.161 6.335 1.00 0.00 H new ATOM 0 HB2 TYR A 548 -4.101 -5.055 9.021 1.00 0.00 H new ATOM 0 HB3 TYR A 548 -3.841 -3.352 8.704 1.00 0.00 H new ATOM 0 HD1 TYR A 548 -5.982 -2.072 7.745 1.00 0.00 H new ATOM 0 HD2 TYR A 548 -6.121 -5.700 9.975 1.00 0.00 H new ATOM 0 HE1 TYR A 548 -8.385 -1.595 8.386 1.00 0.00 H new ATOM 0 HE2 TYR A 548 -8.523 -5.211 10.609 1.00 0.00 H new ATOM 0 HH TYR A 548 -10.176 -3.847 10.430 1.00 0.00 H new ATOM 295 N ILE A 549 -3.176 -2.635 5.903 1.00 0.00 N ATOM 296 CA ILE A 549 -2.057 -1.860 5.395 1.00 0.00 C ATOM 297 C ILE A 549 -2.092 -0.459 6.008 1.00 0.00 C ATOM 298 O ILE A 549 -3.165 0.101 6.224 1.00 0.00 O ATOM 299 CB ILE A 549 -2.055 -1.862 3.865 1.00 0.00 C ATOM 300 CG1 ILE A 549 -1.253 -0.680 3.316 1.00 0.00 C ATOM 301 CG2 ILE A 549 -3.482 -1.890 3.315 1.00 0.00 C ATOM 302 CD1 ILE A 549 -0.848 -0.920 1.861 1.00 0.00 C ATOM 0 H ILE A 549 -4.088 -2.192 5.790 1.00 0.00 H new ATOM 0 HA ILE A 549 -1.112 -2.315 5.693 1.00 0.00 H new ATOM 0 HB ILE A 549 -1.561 -2.772 3.526 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -1.847 0.231 3.386 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -0.362 -0.527 3.925 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -3.452 -1.891 2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -3.989 -2.789 3.665 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -4.023 -1.010 3.662 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -0.279 -0.065 1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -0.234 -1.818 1.798 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -1.742 -1.048 1.251 1.00 0.00 H new ATOM 314 N HIS A 550 -0.905 0.067 6.271 1.00 0.00 N ATOM 315 CA HIS A 550 -0.786 1.392 6.856 1.00 0.00 C ATOM 316 C HIS A 550 0.202 2.227 6.038 1.00 0.00 C ATOM 317 O HIS A 550 1.385 1.899 5.963 1.00 0.00 O ATOM 318 CB HIS A 550 -0.404 1.301 8.334 1.00 0.00 C ATOM 319 CG HIS A 550 -0.653 2.571 9.112 1.00 0.00 C ATOM 320 ND1 HIS A 550 -0.401 2.882 10.416 1.00 0.00 N flip ATOM 321 CD2 HIS A 550 -1.226 3.697 8.546 1.00 0.00 C flip ATOM 322 CE1 HIS A 550 -0.798 4.129 10.635 1.00 0.00 C flip ATOM 323 NE2 HIS A 550 -1.311 4.636 9.477 1.00 0.00 N flip ATOM 0 H HIS A 550 -0.017 -0.400 6.090 1.00 0.00 H new ATOM 0 HA HIS A 550 -1.751 1.897 6.821 1.00 0.00 H new ATOM 0 HB2 HIS A 550 -0.966 0.489 8.795 1.00 0.00 H new ATOM 0 HB3 HIS A 550 0.652 1.041 8.410 1.00 0.00 H new ATOM 0 HD1 HIS A 550 0.021 2.261 11.106 1.00 0.00 H new ATOM 0 HD2 HIS A 550 -1.549 3.794 7.520 1.00 0.00 H new ATOM 0 HE1 HIS A 550 -0.727 4.656 11.575 1.00 0.00 H new ATOM 331 N TYR A 551 -0.321 3.291 5.446 1.00 0.00 N ATOM 332 CA TYR A 551 0.500 4.175 4.636 1.00 0.00 C ATOM 333 C TYR A 551 0.341 5.630 5.081 1.00 0.00 C ATOM 334 O TYR A 551 -0.624 5.973 5.763 1.00 0.00 O ATOM 335 CB TYR A 551 -0.015 4.033 3.203 1.00 0.00 C ATOM 336 CG TYR A 551 -1.493 3.651 3.107 1.00 0.00 C ATOM 337 CD1 TYR A 551 -2.463 4.528 3.549 1.00 0.00 C ATOM 338 CD2 TYR A 551 -1.858 2.430 2.578 1.00 0.00 C ATOM 339 CE1 TYR A 551 -3.854 4.169 3.459 1.00 0.00 C ATOM 340 CE2 TYR A 551 -3.249 2.070 2.488 1.00 0.00 C ATOM 341 CZ TYR A 551 -4.179 2.958 2.933 1.00 0.00 C ATOM 342 OH TYR A 551 -5.493 2.618 2.848 1.00 0.00 O ATOM 0 H TYR A 551 -1.303 3.561 5.511 1.00 0.00 H new ATOM 0 HA TYR A 551 1.554 3.913 4.729 1.00 0.00 H new ATOM 0 HB2 TYR A 551 0.141 4.975 2.677 1.00 0.00 H new ATOM 0 HB3 TYR A 551 0.579 3.278 2.688 1.00 0.00 H new ATOM 0 HD1 TYR A 551 -2.178 5.484 3.963 1.00 0.00 H new ATOM 0 HD2 TYR A 551 -1.100 1.744 2.231 1.00 0.00 H new ATOM 0 HE1 TYR A 551 -4.622 4.846 3.802 1.00 0.00 H new ATOM 0 HE2 TYR A 551 -3.547 1.117 2.077 1.00 0.00 H new ATOM 0 HH TYR A 551 -5.594 1.851 2.247 1.00 0.00 H new ATOM 352 N ARG A 552 1.302 6.448 4.676 1.00 0.00 N ATOM 353 CA ARG A 552 1.280 7.858 5.025 1.00 0.00 C ATOM 354 C ARG A 552 1.724 8.707 3.831 1.00 0.00 C ATOM 355 O ARG A 552 2.464 8.234 2.970 1.00 0.00 O ATOM 356 CB ARG A 552 2.198 8.146 6.215 1.00 0.00 C ATOM 357 CG ARG A 552 3.483 8.840 5.761 1.00 0.00 C ATOM 358 CD ARG A 552 4.583 8.702 6.817 1.00 0.00 C ATOM 359 NE ARG A 552 4.591 9.892 7.697 1.00 0.00 N ATOM 360 CZ ARG A 552 5.616 10.224 8.510 1.00 0.00 C ATOM 361 NH1 ARG A 552 6.726 9.458 8.562 1.00 0.00 N ATOM 362 NH2 ARG A 552 5.517 11.310 9.254 1.00 0.00 N ATOM 0 H ARG A 552 2.100 6.161 4.110 1.00 0.00 H new ATOM 0 HA ARG A 552 0.257 8.116 5.299 1.00 0.00 H new ATOM 0 HB2 ARG A 552 1.677 8.774 6.937 1.00 0.00 H new ATOM 0 HB3 ARG A 552 2.444 7.214 6.723 1.00 0.00 H new ATOM 0 HG2 ARG A 552 3.821 8.407 4.820 1.00 0.00 H new ATOM 0 HG3 ARG A 552 3.284 9.895 5.574 1.00 0.00 H new ATOM 0 HD2 ARG A 552 4.419 7.802 7.410 1.00 0.00 H new ATOM 0 HD3 ARG A 552 5.553 8.592 6.332 1.00 0.00 H new ATOM 0 HE ARG A 552 3.771 10.499 7.689 1.00 0.00 H new ATOM 0 HH11 ARG A 552 6.795 8.620 7.984 1.00 0.00 H new ATOM 0 HH12 ARG A 552 7.496 9.717 9.179 1.00 0.00 H new ATOM 0 HH21 ARG A 552 4.675 11.884 9.209 1.00 0.00 H new ATOM 0 HH22 ARG A 552 6.282 11.575 9.874 1.00 0.00 H new ATOM 375 N PRO A 553 1.241 9.978 3.818 1.00 0.00 N ATOM 376 CA PRO A 553 1.581 10.897 2.745 1.00 0.00 C ATOM 377 C PRO A 553 3.016 11.406 2.893 1.00 0.00 C ATOM 378 O PRO A 553 3.430 11.798 3.983 1.00 0.00 O ATOM 379 CB PRO A 553 0.545 12.005 2.834 1.00 0.00 C ATOM 380 CG PRO A 553 -0.049 11.911 4.230 1.00 0.00 C ATOM 381 CD PRO A 553 0.363 10.572 4.821 1.00 0.00 C ATOM 0 HA PRO A 553 1.557 10.425 1.763 1.00 0.00 H new ATOM 0 HB2 PRO A 553 1.002 12.981 2.669 1.00 0.00 H new ATOM 0 HB3 PRO A 553 -0.225 11.881 2.073 1.00 0.00 H new ATOM 0 HG2 PRO A 553 0.309 12.730 4.854 1.00 0.00 H new ATOM 0 HG3 PRO A 553 -1.135 11.993 4.189 1.00 0.00 H new ATOM 0 HD2 PRO A 553 0.879 10.701 5.772 1.00 0.00 H new ATOM 0 HD3 PRO A 553 -0.504 9.940 5.012 1.00 0.00 H new ATOM 389 N ALA A 554 3.735 11.384 1.780 1.00 0.00 N ATOM 390 CA ALA A 554 5.115 11.839 1.772 1.00 0.00 C ATOM 391 C ALA A 554 5.532 12.213 3.196 1.00 0.00 C ATOM 392 O ALA A 554 5.601 13.393 3.536 1.00 0.00 O ATOM 393 CB ALA A 554 5.262 13.007 0.795 1.00 0.00 C ATOM 0 H ALA A 554 3.388 11.058 0.878 1.00 0.00 H new ATOM 0 HA ALA A 554 5.779 11.045 1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 554 6.297 13.348 0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 554 4.982 12.681 -0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 554 4.612 13.825 1.106 1.00 0.00 H new ATOM 399 N GLY A 555 5.800 11.186 3.989 1.00 0.00 N ATOM 400 CA GLY A 555 6.209 11.393 5.368 1.00 0.00 C ATOM 401 C GLY A 555 5.519 12.620 5.967 1.00 0.00 C ATOM 402 O GLY A 555 6.150 13.657 6.166 1.00 0.00 O ATOM 0 H GLY A 555 5.742 10.209 3.703 1.00 0.00 H new ATOM 0 HA2 GLY A 555 5.966 10.510 5.959 1.00 0.00 H new ATOM 0 HA3 GLY A 555 7.290 11.521 5.415 1.00 0.00 H new ATOM 406 N GLY A 556 4.231 12.462 6.238 1.00 0.00 N ATOM 407 CA GLY A 556 3.448 13.544 6.810 1.00 0.00 C ATOM 408 C GLY A 556 2.701 13.078 8.061 1.00 0.00 C ATOM 409 O GLY A 556 3.234 13.145 9.167 1.00 0.00 O ATOM 0 H GLY A 556 3.711 11.601 6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 556 4.103 14.378 7.063 1.00 0.00 H new ATOM 0 HA3 GLY A 556 2.735 13.911 6.072 1.00 0.00 H new ATOM 413 N SER A 557 1.478 12.616 7.843 1.00 0.00 N ATOM 414 CA SER A 557 0.652 12.139 8.939 1.00 0.00 C ATOM 415 C SER A 557 0.396 10.638 8.787 1.00 0.00 C ATOM 416 O SER A 557 0.142 10.157 7.684 1.00 0.00 O ATOM 417 CB SER A 557 -0.673 12.900 9.002 1.00 0.00 C ATOM 418 OG SER A 557 -0.782 13.868 7.962 1.00 0.00 O ATOM 0 H SER A 557 1.040 12.562 6.924 1.00 0.00 H new ATOM 0 HA SER A 557 1.186 12.317 9.872 1.00 0.00 H new ATOM 0 HB2 SER A 557 -1.500 12.194 8.929 1.00 0.00 H new ATOM 0 HB3 SER A 557 -0.761 13.395 9.969 1.00 0.00 H new ATOM 0 HG SER A 557 -1.642 14.331 8.035 1.00 0.00 H new ATOM 424 N TRP A 558 0.472 9.940 9.911 1.00 0.00 N ATOM 425 CA TRP A 558 0.252 8.504 9.916 1.00 0.00 C ATOM 426 C TRP A 558 -1.236 8.255 10.175 1.00 0.00 C ATOM 427 O TRP A 558 -1.709 8.415 11.298 1.00 0.00 O ATOM 428 CB TRP A 558 1.159 7.814 10.936 1.00 0.00 C ATOM 429 CG TRP A 558 2.526 7.410 10.379 1.00 0.00 C ATOM 430 CD1 TRP A 558 3.717 7.970 10.630 1.00 0.00 C ATOM 431 CD2 TRP A 558 2.796 6.329 9.462 1.00 0.00 C ATOM 432 NE1 TRP A 558 4.731 7.332 9.944 1.00 0.00 N ATOM 433 CE2 TRP A 558 4.153 6.302 9.212 1.00 0.00 C ATOM 434 CE3 TRP A 558 1.922 5.403 8.865 1.00 0.00 C ATOM 435 CZ2 TRP A 558 4.756 5.370 8.359 1.00 0.00 C ATOM 436 CZ3 TRP A 558 2.541 4.479 8.015 1.00 0.00 C ATOM 437 CH2 TRP A 558 3.905 4.439 7.752 1.00 0.00 C ATOM 0 H TRP A 558 0.683 10.342 10.824 1.00 0.00 H new ATOM 0 HA TRP A 558 0.516 8.070 8.951 1.00 0.00 H new ATOM 0 HB2 TRP A 558 1.307 8.481 11.785 1.00 0.00 H new ATOM 0 HB3 TRP A 558 0.654 6.925 11.313 1.00 0.00 H new ATOM 0 HD1 TRP A 558 3.865 8.815 11.287 1.00 0.00 H new ATOM 0 HE1 TRP A 558 5.722 7.572 9.970 1.00 0.00 H new ATOM 0 HE3 TRP A 558 0.858 5.405 9.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 558 5.821 5.369 8.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 558 1.914 3.746 7.529 1.00 0.00 H new ATOM 0 HH2 TRP A 558 4.307 3.693 7.082 1.00 0.00 H new ATOM 448 N THR A 559 -1.931 7.867 9.116 1.00 0.00 N ATOM 449 CA THR A 559 -3.355 7.595 9.214 1.00 0.00 C ATOM 450 C THR A 559 -3.656 6.779 10.473 1.00 0.00 C ATOM 451 O THR A 559 -2.742 6.278 11.125 1.00 0.00 O ATOM 452 CB THR A 559 -3.794 6.903 7.922 1.00 0.00 C ATOM 453 OG1 THR A 559 -3.250 7.720 6.888 1.00 0.00 O ATOM 454 CG2 THR A 559 -5.306 6.980 7.701 1.00 0.00 C ATOM 0 H THR A 559 -1.534 7.734 8.186 1.00 0.00 H new ATOM 0 HA THR A 559 -3.928 8.517 9.317 1.00 0.00 H new ATOM 0 HB THR A 559 -3.484 5.858 7.947 1.00 0.00 H new ATOM 0 HG1 THR A 559 -2.466 7.278 6.500 1.00 0.00 H new ATOM 0 HG21 THR A 559 -5.564 6.474 6.771 1.00 0.00 H new ATOM 0 HG22 THR A 559 -5.820 6.497 8.532 1.00 0.00 H new ATOM 0 HG23 THR A 559 -5.612 8.024 7.643 1.00 0.00 H new ATOM 462 N ALA A 560 -4.941 6.672 10.776 1.00 0.00 N ATOM 463 CA ALA A 560 -5.374 5.925 11.945 1.00 0.00 C ATOM 464 C ALA A 560 -4.988 4.454 11.778 1.00 0.00 C ATOM 465 O ALA A 560 -5.568 3.747 10.955 1.00 0.00 O ATOM 466 CB ALA A 560 -6.879 6.114 12.143 1.00 0.00 C ATOM 0 H ALA A 560 -5.696 7.090 10.233 1.00 0.00 H new ATOM 0 HA ALA A 560 -4.878 6.296 12.842 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -7.204 5.554 13.020 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -7.097 7.172 12.287 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -7.410 5.751 11.263 1.00 0.00 H new ATOM 472 N ALA A 561 -4.012 4.037 12.570 1.00 0.00 N ATOM 473 CA ALA A 561 -3.542 2.663 12.520 1.00 0.00 C ATOM 474 C ALA A 561 -4.572 1.752 13.192 1.00 0.00 C ATOM 475 O ALA A 561 -5.063 2.059 14.277 1.00 0.00 O ATOM 476 CB ALA A 561 -2.164 2.570 13.178 1.00 0.00 C ATOM 0 H ALA A 561 -3.533 4.627 13.251 1.00 0.00 H new ATOM 0 HA ALA A 561 -3.433 2.332 11.487 1.00 0.00 H new ATOM 0 HB1 ALA A 561 -1.812 1.539 13.140 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -1.463 3.213 12.646 1.00 0.00 H new ATOM 0 HB3 ALA A 561 -2.235 2.892 14.217 1.00 0.00 H new ATOM 482 N PRO A 562 -4.875 0.620 12.501 1.00 0.00 N ATOM 483 CA PRO A 562 -4.247 0.333 11.223 1.00 0.00 C ATOM 484 C PRO A 562 -4.835 1.209 10.114 1.00 0.00 C ATOM 485 O PRO A 562 -6.017 1.550 10.149 1.00 0.00 O ATOM 486 CB PRO A 562 -4.482 -1.151 10.994 1.00 0.00 C ATOM 487 CG PRO A 562 -5.624 -1.540 11.918 1.00 0.00 C ATOM 488 CD PRO A 562 -5.820 -0.412 12.918 1.00 0.00 C ATOM 0 HA PRO A 562 -3.181 0.560 11.218 1.00 0.00 H new ATOM 0 HB2 PRO A 562 -4.737 -1.350 9.953 1.00 0.00 H new ATOM 0 HB3 PRO A 562 -3.585 -1.728 11.218 1.00 0.00 H new ATOM 0 HG2 PRO A 562 -6.537 -1.707 11.347 1.00 0.00 H new ATOM 0 HG3 PRO A 562 -5.396 -2.473 12.434 1.00 0.00 H new ATOM 0 HD2 PRO A 562 -6.845 -0.041 12.901 1.00 0.00 H new ATOM 0 HD3 PRO A 562 -5.619 -0.746 13.936 1.00 0.00 H new ATOM 496 N GLY A 563 -3.984 1.547 9.157 1.00 0.00 N ATOM 497 CA GLY A 563 -4.405 2.376 8.040 1.00 0.00 C ATOM 498 C GLY A 563 -5.787 1.957 7.536 1.00 0.00 C ATOM 499 O GLY A 563 -6.802 2.299 8.141 1.00 0.00 O ATOM 0 H GLY A 563 -3.005 1.262 9.132 1.00 0.00 H new ATOM 0 HA2 GLY A 563 -4.428 3.422 8.347 1.00 0.00 H new ATOM 0 HA3 GLY A 563 -3.679 2.297 7.230 1.00 0.00 H new ATOM 503 N VAL A 564 -5.782 1.223 6.434 1.00 0.00 N ATOM 504 CA VAL A 564 -7.023 0.753 5.841 1.00 0.00 C ATOM 505 C VAL A 564 -6.865 -0.712 5.432 1.00 0.00 C ATOM 506 O VAL A 564 -5.748 -1.194 5.253 1.00 0.00 O ATOM 507 CB VAL A 564 -7.422 1.660 4.675 1.00 0.00 C ATOM 508 CG1 VAL A 564 -8.932 1.611 4.435 1.00 0.00 C ATOM 509 CG2 VAL A 564 -6.951 3.097 4.912 1.00 0.00 C ATOM 0 H VAL A 564 -4.938 0.942 5.935 1.00 0.00 H new ATOM 0 HA VAL A 564 -7.835 0.802 6.566 1.00 0.00 H new ATOM 0 HB VAL A 564 -6.927 1.289 3.777 1.00 0.00 H new ATOM 0 HG11 VAL A 564 -9.189 2.264 3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 564 -9.230 0.589 4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 564 -9.454 1.945 5.332 1.00 0.00 H new ATOM 0 HG21 VAL A 564 -7.247 3.721 4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 564 -7.404 3.482 5.825 1.00 0.00 H new ATOM 0 HG23 VAL A 564 -5.866 3.112 5.011 1.00 0.00 H new ATOM 519 N LYS A 565 -8.001 -1.381 5.295 1.00 0.00 N ATOM 520 CA LYS A 565 -8.003 -2.782 4.910 1.00 0.00 C ATOM 521 C LYS A 565 -8.011 -2.887 3.384 1.00 0.00 C ATOM 522 O LYS A 565 -8.964 -2.461 2.734 1.00 0.00 O ATOM 523 CB LYS A 565 -9.161 -3.521 5.583 1.00 0.00 C ATOM 524 CG LYS A 565 -9.318 -4.931 5.011 1.00 0.00 C ATOM 525 CD LYS A 565 -9.045 -5.991 6.081 1.00 0.00 C ATOM 526 CE LYS A 565 -10.350 -6.483 6.711 1.00 0.00 C ATOM 527 NZ LYS A 565 -10.886 -7.638 5.958 1.00 0.00 N ATOM 0 H LYS A 565 -8.926 -0.978 5.444 1.00 0.00 H new ATOM 0 HA LYS A 565 -7.095 -3.274 5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -8.985 -3.578 6.657 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -10.086 -2.962 5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -10.327 -5.057 4.618 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -8.631 -5.067 4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -8.512 -6.832 5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -8.398 -5.575 6.853 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -10.175 -6.767 7.749 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -11.083 -5.676 6.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -11.926 -7.609 5.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -10.551 -7.596 4.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -10.558 -8.522 6.398 1.00 0.00 H new ATOM 540 N MET A 566 -6.938 -3.456 2.856 1.00 0.00 N ATOM 541 CA MET A 566 -6.809 -3.623 1.418 1.00 0.00 C ATOM 542 C MET A 566 -8.174 -3.861 0.770 1.00 0.00 C ATOM 543 O MET A 566 -8.940 -4.710 1.222 1.00 0.00 O ATOM 544 CB MET A 566 -5.888 -4.808 1.122 1.00 0.00 C ATOM 545 CG MET A 566 -4.738 -4.392 0.202 1.00 0.00 C ATOM 546 SD MET A 566 -3.305 -3.959 1.174 1.00 0.00 S ATOM 547 CE MET A 566 -2.343 -3.099 -0.058 1.00 0.00 C ATOM 0 H MET A 566 -6.149 -3.808 3.398 1.00 0.00 H new ATOM 0 HA MET A 566 -6.384 -2.710 1.001 1.00 0.00 H new ATOM 0 HB2 MET A 566 -5.487 -5.204 2.055 1.00 0.00 H new ATOM 0 HB3 MET A 566 -6.460 -5.610 0.655 1.00 0.00 H new ATOM 0 HG2 MET A 566 -4.493 -5.207 -0.479 1.00 0.00 H new ATOM 0 HG3 MET A 566 -5.041 -3.544 -0.412 1.00 0.00 H new ATOM 0 HE1 MET A 566 -1.288 -3.132 0.215 1.00 0.00 H new ATOM 0 HE2 MET A 566 -2.482 -3.578 -1.027 1.00 0.00 H new ATOM 0 HE3 MET A 566 -2.670 -2.061 -0.116 1.00 0.00 H new ATOM 557 N GLN A 567 -8.436 -3.097 -0.280 1.00 0.00 N ATOM 558 CA GLN A 567 -9.695 -3.215 -0.996 1.00 0.00 C ATOM 559 C GLN A 567 -9.551 -4.186 -2.169 1.00 0.00 C ATOM 560 O GLN A 567 -8.765 -3.947 -3.085 1.00 0.00 O ATOM 561 CB GLN A 567 -10.184 -1.846 -1.475 1.00 0.00 C ATOM 562 CG GLN A 567 -11.375 -1.367 -0.642 1.00 0.00 C ATOM 563 CD GLN A 567 -12.112 -0.225 -1.345 1.00 0.00 C ATOM 564 OE1 GLN A 567 -11.715 0.927 -1.295 1.00 0.00 O ATOM 565 NE2 GLN A 567 -13.203 -0.608 -2.002 1.00 0.00 N ATOM 0 H GLN A 567 -7.798 -2.394 -0.652 1.00 0.00 H new ATOM 0 HA GLN A 567 -10.443 -3.613 -0.311 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -9.373 -1.121 -1.406 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -10.470 -1.905 -2.525 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -12.061 -2.197 -0.471 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -11.029 -1.033 0.336 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -13.479 -1.590 -2.003 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -13.763 0.080 -2.505 1.00 0.00 H new ATOM 574 N ASP A 568 -10.321 -5.263 -2.103 1.00 0.00 N ATOM 575 CA ASP A 568 -10.288 -6.272 -3.148 1.00 0.00 C ATOM 576 C ASP A 568 -10.343 -5.586 -4.514 1.00 0.00 C ATOM 577 O ASP A 568 -11.154 -4.686 -4.729 1.00 0.00 O ATOM 578 CB ASP A 568 -11.489 -7.213 -3.042 1.00 0.00 C ATOM 579 CG ASP A 568 -12.278 -7.111 -1.735 1.00 0.00 C ATOM 580 OD1 ASP A 568 -12.098 -7.924 -0.816 1.00 0.00 O ATOM 581 OD2 ASP A 568 -13.119 -6.135 -1.680 1.00 0.00 O ATOM 0 H ASP A 568 -10.971 -5.458 -1.342 1.00 0.00 H new ATOM 0 HA ASP A 568 -9.369 -6.847 -3.034 1.00 0.00 H new ATOM 0 HB2 ASP A 568 -12.164 -7.010 -3.873 1.00 0.00 H new ATOM 0 HB3 ASP A 568 -11.139 -8.239 -3.158 1.00 0.00 H new ATOM 587 N ALA A 569 -9.471 -6.038 -5.403 1.00 0.00 N ATOM 588 CA ALA A 569 -9.411 -5.479 -6.743 1.00 0.00 C ATOM 589 C ALA A 569 -10.581 -6.017 -7.569 1.00 0.00 C ATOM 590 O ALA A 569 -11.632 -6.346 -7.021 1.00 0.00 O ATOM 591 CB ALA A 569 -8.055 -5.806 -7.372 1.00 0.00 C ATOM 0 H ALA A 569 -8.800 -6.785 -5.222 1.00 0.00 H new ATOM 0 HA ALA A 569 -9.503 -4.393 -6.710 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -8.010 -5.387 -8.377 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -7.259 -5.377 -6.764 1.00 0.00 H new ATOM 0 HB3 ALA A 569 -7.929 -6.887 -7.424 1.00 0.00 H new ATOM 597 N GLU A 570 -10.359 -6.091 -8.873 1.00 0.00 N ATOM 598 CA GLU A 570 -11.382 -6.583 -9.780 1.00 0.00 C ATOM 599 C GLU A 570 -10.845 -7.759 -10.598 1.00 0.00 C ATOM 600 O GLU A 570 -11.279 -7.984 -11.727 1.00 0.00 O ATOM 601 CB GLU A 570 -11.890 -5.466 -10.693 1.00 0.00 C ATOM 602 CG GLU A 570 -11.883 -4.119 -9.968 1.00 0.00 C ATOM 603 CD GLU A 570 -13.137 -3.309 -10.302 1.00 0.00 C ATOM 604 OE1 GLU A 570 -14.257 -3.746 -9.997 1.00 0.00 O ATOM 605 OE2 GLU A 570 -12.918 -2.187 -10.900 1.00 0.00 O ATOM 0 H GLU A 570 -9.485 -5.818 -9.323 1.00 0.00 H new ATOM 0 HA GLU A 570 -12.227 -6.934 -9.187 1.00 0.00 H new ATOM 0 HB2 GLU A 570 -11.264 -5.407 -11.584 1.00 0.00 H new ATOM 0 HB3 GLU A 570 -12.901 -5.697 -11.028 1.00 0.00 H new ATOM 0 HG2 GLU A 570 -11.827 -4.282 -8.892 1.00 0.00 H new ATOM 0 HG3 GLU A 570 -10.995 -3.554 -10.252 1.00 0.00 H new ATOM 613 N ILE A 571 -9.908 -8.478 -9.997 1.00 0.00 N ATOM 614 CA ILE A 571 -9.307 -9.625 -10.656 1.00 0.00 C ATOM 615 C ILE A 571 -9.860 -10.910 -10.038 1.00 0.00 C ATOM 616 O ILE A 571 -10.816 -11.490 -10.553 1.00 0.00 O ATOM 617 CB ILE A 571 -7.781 -9.529 -10.613 1.00 0.00 C ATOM 618 CG1 ILE A 571 -7.293 -8.246 -11.288 1.00 0.00 C ATOM 619 CG2 ILE A 571 -7.135 -10.777 -11.218 1.00 0.00 C ATOM 620 CD1 ILE A 571 -7.132 -8.447 -12.797 1.00 0.00 C ATOM 0 H ILE A 571 -9.550 -8.288 -9.061 1.00 0.00 H new ATOM 0 HA ILE A 571 -9.572 -9.639 -11.713 1.00 0.00 H new ATOM 0 HB ILE A 571 -7.471 -9.481 -9.569 1.00 0.00 H new ATOM 0 HG12 ILE A 571 -8.001 -7.439 -11.099 1.00 0.00 H new ATOM 0 HG13 ILE A 571 -6.340 -7.942 -10.854 1.00 0.00 H new ATOM 0 HG21 ILE A 571 -6.050 -10.682 -11.175 1.00 0.00 H new ATOM 0 HG22 ILE A 571 -7.445 -11.657 -10.654 1.00 0.00 H new ATOM 0 HG23 ILE A 571 -7.449 -10.882 -12.257 1.00 0.00 H new ATOM 0 HD11 ILE A 571 -6.784 -7.520 -13.252 1.00 0.00 H new ATOM 0 HD12 ILE A 571 -6.405 -9.238 -12.983 1.00 0.00 H new ATOM 0 HD13 ILE A 571 -8.092 -8.727 -13.231 1.00 0.00 H new ATOM 632 N SER A 572 -9.236 -11.319 -8.944 1.00 0.00 N ATOM 633 CA SER A 572 -9.654 -12.526 -8.250 1.00 0.00 C ATOM 634 C SER A 572 -8.608 -12.917 -7.204 1.00 0.00 C ATOM 635 O SER A 572 -7.541 -13.423 -7.547 1.00 0.00 O ATOM 636 CB SER A 572 -9.877 -13.677 -9.233 1.00 0.00 C ATOM 637 OG SER A 572 -11.257 -14.005 -9.366 1.00 0.00 O ATOM 0 H SER A 572 -8.444 -10.836 -8.520 1.00 0.00 H new ATOM 0 HA SER A 572 -10.601 -12.322 -7.750 1.00 0.00 H new ATOM 0 HB2 SER A 572 -9.473 -13.404 -10.208 1.00 0.00 H new ATOM 0 HB3 SER A 572 -9.327 -14.555 -8.894 1.00 0.00 H new ATOM 0 HG SER A 572 -11.722 -13.281 -9.835 1.00 0.00 H new ATOM 643 N GLY A 573 -8.951 -12.667 -5.949 1.00 0.00 N ATOM 644 CA GLY A 573 -8.056 -12.986 -4.850 1.00 0.00 C ATOM 645 C GLY A 573 -6.973 -11.916 -4.696 1.00 0.00 C ATOM 646 O GLY A 573 -6.020 -12.096 -3.940 1.00 0.00 O ATOM 0 H GLY A 573 -9.837 -12.247 -5.669 1.00 0.00 H new ATOM 0 HA2 GLY A 573 -8.626 -13.068 -3.924 1.00 0.00 H new ATOM 0 HA3 GLY A 573 -7.591 -13.956 -5.025 1.00 0.00 H new ATOM 650 N TYR A 574 -7.156 -10.826 -5.426 1.00 0.00 N ATOM 651 CA TYR A 574 -6.207 -9.727 -5.381 1.00 0.00 C ATOM 652 C TYR A 574 -6.768 -8.550 -4.579 1.00 0.00 C ATOM 653 O TYR A 574 -7.982 -8.423 -4.423 1.00 0.00 O ATOM 654 CB TYR A 574 -6.000 -9.287 -6.831 1.00 0.00 C ATOM 655 CG TYR A 574 -4.812 -9.959 -7.522 1.00 0.00 C ATOM 656 CD1 TYR A 574 -4.954 -11.216 -8.072 1.00 0.00 C ATOM 657 CD2 TYR A 574 -3.598 -9.307 -7.595 1.00 0.00 C ATOM 658 CE1 TYR A 574 -3.836 -11.849 -8.722 1.00 0.00 C ATOM 659 CE2 TYR A 574 -2.479 -9.939 -8.245 1.00 0.00 C ATOM 660 CZ TYR A 574 -2.653 -11.179 -8.777 1.00 0.00 C ATOM 661 OH TYR A 574 -1.597 -11.776 -9.390 1.00 0.00 O ATOM 0 H TYR A 574 -7.948 -10.680 -6.052 1.00 0.00 H new ATOM 0 HA TYR A 574 -5.279 -10.042 -4.903 1.00 0.00 H new ATOM 0 HB2 TYR A 574 -6.906 -9.502 -7.398 1.00 0.00 H new ATOM 0 HB3 TYR A 574 -5.858 -8.207 -6.855 1.00 0.00 H new ATOM 0 HD1 TYR A 574 -5.904 -11.726 -8.015 1.00 0.00 H new ATOM 0 HD2 TYR A 574 -3.487 -8.323 -7.165 1.00 0.00 H new ATOM 0 HE1 TYR A 574 -3.934 -12.833 -9.156 1.00 0.00 H new ATOM 0 HE2 TYR A 574 -1.523 -9.440 -8.309 1.00 0.00 H new ATOM 0 HH TYR A 574 -0.819 -11.181 -9.355 1.00 0.00 H new ATOM 671 N ALA A 575 -5.858 -7.720 -4.091 1.00 0.00 N ATOM 672 CA ALA A 575 -6.247 -6.559 -3.310 1.00 0.00 C ATOM 673 C ALA A 575 -5.737 -5.291 -3.999 1.00 0.00 C ATOM 674 O ALA A 575 -4.795 -5.346 -4.788 1.00 0.00 O ATOM 675 CB ALA A 575 -5.713 -6.701 -1.883 1.00 0.00 C ATOM 0 H ALA A 575 -4.852 -7.829 -4.222 1.00 0.00 H new ATOM 0 HA ALA A 575 -7.333 -6.486 -3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 575 -6.005 -5.830 -1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 575 -6.127 -7.600 -1.427 1.00 0.00 H new ATOM 0 HB3 ALA A 575 -4.626 -6.774 -1.907 1.00 0.00 H new ATOM 681 N LYS A 576 -6.381 -4.180 -3.675 1.00 0.00 N ATOM 682 CA LYS A 576 -6.005 -2.901 -4.253 1.00 0.00 C ATOM 683 C LYS A 576 -6.452 -1.773 -3.321 1.00 0.00 C ATOM 684 O LYS A 576 -7.495 -1.873 -2.675 1.00 0.00 O ATOM 685 CB LYS A 576 -6.551 -2.775 -5.677 1.00 0.00 C ATOM 686 CG LYS A 576 -7.905 -2.063 -5.683 1.00 0.00 C ATOM 687 CD LYS A 576 -8.394 -1.829 -7.114 1.00 0.00 C ATOM 688 CE LYS A 576 -8.980 -0.424 -7.270 1.00 0.00 C ATOM 689 NZ LYS A 576 -10.436 -0.495 -7.526 1.00 0.00 N ATOM 0 H LYS A 576 -7.161 -4.139 -3.019 1.00 0.00 H new ATOM 0 HA LYS A 576 -4.921 -2.829 -4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 576 -5.843 -2.223 -6.294 1.00 0.00 H new ATOM 0 HB3 LYS A 576 -6.655 -3.766 -6.120 1.00 0.00 H new ATOM 0 HG2 LYS A 576 -8.636 -2.660 -5.138 1.00 0.00 H new ATOM 0 HG3 LYS A 576 -7.821 -1.109 -5.163 1.00 0.00 H new ATOM 0 HD2 LYS A 576 -7.567 -1.961 -7.811 1.00 0.00 H new ATOM 0 HD3 LYS A 576 -9.149 -2.572 -7.370 1.00 0.00 H new ATOM 0 HE2 LYS A 576 -8.791 0.157 -6.367 1.00 0.00 H new ATOM 0 HE3 LYS A 576 -8.485 0.094 -8.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 576 -10.818 0.467 -7.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 576 -10.609 -1.032 -8.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 576 -10.906 -0.970 -6.729 1.00 0.00 H new ATOM 702 N ILE A 577 -5.641 -0.726 -3.279 1.00 0.00 N ATOM 703 CA ILE A 577 -5.941 0.419 -2.437 1.00 0.00 C ATOM 704 C ILE A 577 -5.535 1.702 -3.165 1.00 0.00 C ATOM 705 O ILE A 577 -4.574 1.707 -3.933 1.00 0.00 O ATOM 706 CB ILE A 577 -5.287 0.259 -1.063 1.00 0.00 C ATOM 707 CG1 ILE A 577 -4.086 1.194 -0.914 1.00 0.00 C ATOM 708 CG2 ILE A 577 -4.913 -1.201 -0.801 1.00 0.00 C ATOM 709 CD1 ILE A 577 -3.072 0.967 -2.037 1.00 0.00 C ATOM 0 H ILE A 577 -4.777 -0.647 -3.815 1.00 0.00 H new ATOM 0 HA ILE A 577 -7.013 0.484 -2.249 1.00 0.00 H new ATOM 0 HB ILE A 577 -6.014 0.547 -0.304 1.00 0.00 H new ATOM 0 HG12 ILE A 577 -4.423 2.230 -0.928 1.00 0.00 H new ATOM 0 HG13 ILE A 577 -3.608 1.027 0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 577 -4.450 -1.287 0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 577 -5.811 -1.818 -0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 577 -4.211 -1.539 -1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 577 -2.228 1.644 -1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 577 -2.718 -0.064 -2.005 1.00 0.00 H new ATOM 0 HD13 ILE A 577 -3.546 1.158 -3.000 1.00 0.00 H new ATOM 721 N THR A 578 -6.287 2.760 -2.897 1.00 0.00 N ATOM 722 CA THR A 578 -6.017 4.046 -3.517 1.00 0.00 C ATOM 723 C THR A 578 -5.799 5.118 -2.447 1.00 0.00 C ATOM 724 O THR A 578 -6.578 5.224 -1.502 1.00 0.00 O ATOM 725 CB THR A 578 -7.173 4.363 -4.468 1.00 0.00 C ATOM 726 OG1 THR A 578 -7.451 3.119 -5.104 1.00 0.00 O ATOM 727 CG2 THR A 578 -6.750 5.282 -5.617 1.00 0.00 C ATOM 0 H THR A 578 -7.083 2.753 -2.259 1.00 0.00 H new ATOM 0 HA THR A 578 -5.096 4.020 -4.099 1.00 0.00 H new ATOM 0 HB THR A 578 -7.985 4.829 -3.910 1.00 0.00 H new ATOM 0 HG1 THR A 578 -8.190 3.233 -5.737 1.00 0.00 H new ATOM 0 HG21 THR A 578 -7.607 5.476 -6.262 1.00 0.00 H new ATOM 0 HG22 THR A 578 -6.380 6.224 -5.212 1.00 0.00 H new ATOM 0 HG23 THR A 578 -5.961 4.801 -6.196 1.00 0.00 H new ATOM 735 N VAL A 579 -4.735 5.885 -2.633 1.00 0.00 N ATOM 736 CA VAL A 579 -4.404 6.945 -1.696 1.00 0.00 C ATOM 737 C VAL A 579 -4.162 8.245 -2.467 1.00 0.00 C ATOM 738 O VAL A 579 -3.367 8.274 -3.406 1.00 0.00 O ATOM 739 CB VAL A 579 -3.209 6.529 -0.836 1.00 0.00 C ATOM 740 CG1 VAL A 579 -2.853 7.623 0.173 1.00 0.00 C ATOM 741 CG2 VAL A 579 -3.479 5.199 -0.130 1.00 0.00 C ATOM 0 H VAL A 579 -4.091 5.794 -3.419 1.00 0.00 H new ATOM 0 HA VAL A 579 -5.234 7.122 -1.012 1.00 0.00 H new ATOM 0 HB VAL A 579 -2.353 6.390 -1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 579 -2.001 7.302 0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 579 -2.599 8.540 -0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 579 -3.706 7.807 0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 579 -2.614 4.926 0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 579 -4.354 5.299 0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 579 -3.662 4.423 -0.873 1.00 0.00 H new ATOM 751 N ASP A 580 -4.860 9.287 -2.042 1.00 0.00 N ATOM 752 CA ASP A 580 -4.731 10.585 -2.681 1.00 0.00 C ATOM 753 C ASP A 580 -3.470 11.280 -2.163 1.00 0.00 C ATOM 754 O ASP A 580 -3.059 11.061 -1.025 1.00 0.00 O ATOM 755 CB ASP A 580 -5.930 11.480 -2.358 1.00 0.00 C ATOM 756 CG ASP A 580 -5.854 12.895 -2.934 1.00 0.00 C ATOM 757 OD1 ASP A 580 -5.572 13.864 -2.213 1.00 0.00 O ATOM 758 OD2 ASP A 580 -6.102 12.984 -4.197 1.00 0.00 O ATOM 0 H ASP A 580 -5.517 9.259 -1.262 1.00 0.00 H new ATOM 0 HA ASP A 580 -4.679 10.427 -3.758 1.00 0.00 H new ATOM 0 HB2 ASP A 580 -6.834 11.000 -2.732 1.00 0.00 H new ATOM 0 HB3 ASP A 580 -6.031 11.550 -1.275 1.00 0.00 H new ATOM 764 N ILE A 581 -2.891 12.104 -3.024 1.00 0.00 N ATOM 765 CA ILE A 581 -1.685 12.833 -2.668 1.00 0.00 C ATOM 766 C ILE A 581 -1.605 14.114 -3.500 1.00 0.00 C ATOM 767 O ILE A 581 -0.583 14.388 -4.127 1.00 0.00 O ATOM 768 CB ILE A 581 -0.456 11.932 -2.805 1.00 0.00 C ATOM 769 CG1 ILE A 581 -0.242 11.514 -4.261 1.00 0.00 C ATOM 770 CG2 ILE A 581 -0.553 10.725 -1.870 1.00 0.00 C ATOM 771 CD1 ILE A 581 1.054 10.715 -4.417 1.00 0.00 C ATOM 0 H ILE A 581 -3.235 12.283 -3.968 1.00 0.00 H new ATOM 0 HA ILE A 581 -1.716 13.134 -1.621 1.00 0.00 H new ATOM 0 HB ILE A 581 0.421 12.503 -2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 581 -1.087 10.913 -4.599 1.00 0.00 H new ATOM 0 HG13 ILE A 581 -0.206 12.399 -4.896 1.00 0.00 H new ATOM 0 HG21 ILE A 581 0.333 10.101 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 581 -0.620 11.069 -0.838 1.00 0.00 H new ATOM 0 HG23 ILE A 581 -1.441 10.144 -2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 581 1.182 10.430 -5.461 1.00 0.00 H new ATOM 0 HD12 ILE A 581 1.899 11.327 -4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 581 1.005 9.818 -3.800 1.00 0.00 H new ATOM 783 N GLY A 582 -2.696 14.866 -3.478 1.00 0.00 N ATOM 784 CA GLY A 582 -2.761 16.112 -4.223 1.00 0.00 C ATOM 785 C GLY A 582 -1.596 17.032 -3.854 1.00 0.00 C ATOM 786 O GLY A 582 -1.275 17.960 -4.595 1.00 0.00 O ATOM 0 H GLY A 582 -3.542 14.636 -2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -2.739 15.902 -5.292 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -3.706 16.615 -4.016 1.00 0.00 H new ATOM 790 N SER A 583 -0.995 16.743 -2.709 1.00 0.00 N ATOM 791 CA SER A 583 0.128 17.534 -2.234 1.00 0.00 C ATOM 792 C SER A 583 1.262 16.612 -1.780 1.00 0.00 C ATOM 793 O SER A 583 1.850 16.821 -0.720 1.00 0.00 O ATOM 794 CB SER A 583 -0.294 18.458 -1.090 1.00 0.00 C ATOM 795 OG SER A 583 -0.627 19.764 -1.554 1.00 0.00 O ATOM 0 H SER A 583 -1.264 15.973 -2.097 1.00 0.00 H new ATOM 0 HA SER A 583 0.481 18.156 -3.057 1.00 0.00 H new ATOM 0 HB2 SER A 583 -1.152 18.027 -0.573 1.00 0.00 H new ATOM 0 HB3 SER A 583 0.515 18.527 -0.362 1.00 0.00 H new ATOM 0 HG SER A 583 -0.893 20.323 -0.794 1.00 0.00 H new ATOM 801 N ALA A 584 1.535 15.612 -2.605 1.00 0.00 N ATOM 802 CA ALA A 584 2.588 14.657 -2.302 1.00 0.00 C ATOM 803 C ALA A 584 2.955 13.889 -3.574 1.00 0.00 C ATOM 804 O ALA A 584 2.082 13.547 -4.370 1.00 0.00 O ATOM 805 CB ALA A 584 2.129 13.732 -1.174 1.00 0.00 C ATOM 0 H ALA A 584 1.045 15.442 -3.483 1.00 0.00 H new ATOM 0 HA ALA A 584 3.485 15.171 -1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 584 2.919 13.016 -0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 584 1.909 14.323 -0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 584 1.232 13.197 -1.485 1.00 0.00 H new ATOM 811 N SER A 585 4.248 13.641 -3.724 1.00 0.00 N ATOM 812 CA SER A 585 4.741 12.920 -4.884 1.00 0.00 C ATOM 813 C SER A 585 5.237 11.534 -4.467 1.00 0.00 C ATOM 814 O SER A 585 5.705 10.760 -5.302 1.00 0.00 O ATOM 815 CB SER A 585 5.860 13.696 -5.581 1.00 0.00 C ATOM 816 OG SER A 585 6.896 14.068 -4.675 1.00 0.00 O ATOM 0 H SER A 585 4.969 13.927 -3.061 1.00 0.00 H new ATOM 0 HA SER A 585 3.919 12.808 -5.591 1.00 0.00 H new ATOM 0 HB2 SER A 585 6.280 13.087 -6.381 1.00 0.00 H new ATOM 0 HB3 SER A 585 5.446 14.591 -6.045 1.00 0.00 H new ATOM 0 HG SER A 585 7.592 14.560 -5.158 1.00 0.00 H new ATOM 822 N GLN A 586 5.118 11.261 -3.176 1.00 0.00 N ATOM 823 CA GLN A 586 5.548 9.982 -2.638 1.00 0.00 C ATOM 824 C GLN A 586 4.685 9.595 -1.436 1.00 0.00 C ATOM 825 O GLN A 586 4.366 10.438 -0.599 1.00 0.00 O ATOM 826 CB GLN A 586 7.031 10.017 -2.261 1.00 0.00 C ATOM 827 CG GLN A 586 7.895 9.431 -3.379 1.00 0.00 C ATOM 828 CD GLN A 586 9.339 9.923 -3.271 1.00 0.00 C ATOM 829 OE1 GLN A 586 9.616 11.110 -3.225 1.00 0.00 O ATOM 830 NE2 GLN A 586 10.242 8.947 -3.233 1.00 0.00 N ATOM 0 H GLN A 586 4.730 11.904 -2.486 1.00 0.00 H new ATOM 0 HA GLN A 586 5.421 9.223 -3.410 1.00 0.00 H new ATOM 0 HB2 GLN A 586 7.335 11.045 -2.062 1.00 0.00 H new ATOM 0 HB3 GLN A 586 7.189 9.454 -1.341 1.00 0.00 H new ATOM 0 HG2 GLN A 586 7.873 8.342 -3.328 1.00 0.00 H new ATOM 0 HG3 GLN A 586 7.483 9.713 -4.348 1.00 0.00 H new ATOM 0 HE21 GLN A 586 9.942 7.973 -3.276 1.00 0.00 H new ATOM 0 HE22 GLN A 586 11.234 9.173 -3.161 1.00 0.00 H new ATOM 839 N LEU A 587 4.332 8.319 -1.388 1.00 0.00 N ATOM 840 CA LEU A 587 3.512 7.809 -0.302 1.00 0.00 C ATOM 841 C LEU A 587 4.067 6.461 0.162 1.00 0.00 C ATOM 842 O LEU A 587 4.330 5.580 -0.655 1.00 0.00 O ATOM 843 CB LEU A 587 2.041 7.757 -0.720 1.00 0.00 C ATOM 844 CG LEU A 587 1.137 6.851 0.118 1.00 0.00 C ATOM 845 CD1 LEU A 587 0.512 7.623 1.281 1.00 0.00 C ATOM 846 CD2 LEU A 587 0.079 6.173 -0.755 1.00 0.00 C ATOM 0 H LEU A 587 4.599 7.623 -2.084 1.00 0.00 H new ATOM 0 HA LEU A 587 3.553 8.482 0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 587 1.638 8.769 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 587 1.990 7.428 -1.758 1.00 0.00 H new ATOM 0 HG LEU A 587 1.752 6.061 0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -0.126 6.955 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 587 1.301 8.017 1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 587 -0.085 8.447 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 587 -0.550 5.535 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 587 -0.537 6.933 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 587 0.570 5.568 -1.517 1.00 0.00 H new ATOM 858 N GLU A 588 4.230 6.343 1.471 1.00 0.00 N ATOM 859 CA GLU A 588 4.749 5.117 2.053 1.00 0.00 C ATOM 860 C GLU A 588 3.601 4.243 2.562 1.00 0.00 C ATOM 861 O GLU A 588 2.616 4.753 3.092 1.00 0.00 O ATOM 862 CB GLU A 588 5.744 5.421 3.175 1.00 0.00 C ATOM 863 CG GLU A 588 5.246 6.570 4.054 1.00 0.00 C ATOM 864 CD GLU A 588 5.793 7.913 3.564 1.00 0.00 C ATOM 865 OE1 GLU A 588 6.878 8.333 3.993 1.00 0.00 O ATOM 866 OE2 GLU A 588 5.049 8.525 2.707 1.00 0.00 O ATOM 0 H GLU A 588 4.012 7.076 2.146 1.00 0.00 H new ATOM 0 HA GLU A 588 5.282 4.568 1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 588 5.893 4.530 3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 588 6.712 5.680 2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 588 4.156 6.593 4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 588 5.554 6.403 5.086 1.00 0.00 H new ATOM 874 N ALA A 589 3.767 2.941 2.381 1.00 0.00 N ATOM 875 CA ALA A 589 2.756 1.990 2.815 1.00 0.00 C ATOM 876 C ALA A 589 3.441 0.777 3.447 1.00 0.00 C ATOM 877 O ALA A 589 4.463 0.307 2.948 1.00 0.00 O ATOM 878 CB ALA A 589 1.872 1.607 1.626 1.00 0.00 C ATOM 0 H ALA A 589 4.586 2.522 1.940 1.00 0.00 H new ATOM 0 HA ALA A 589 2.110 2.435 3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 589 1.114 0.894 1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 589 1.386 2.499 1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 589 2.486 1.154 0.847 1.00 0.00 H new ATOM 884 N ALA A 590 2.852 0.306 4.536 1.00 0.00 N ATOM 885 CA ALA A 590 3.393 -0.843 5.242 1.00 0.00 C ATOM 886 C ALA A 590 2.343 -1.956 5.276 1.00 0.00 C ATOM 887 O ALA A 590 1.164 -1.709 5.026 1.00 0.00 O ATOM 888 CB ALA A 590 3.838 -0.419 6.642 1.00 0.00 C ATOM 0 H ALA A 590 2.005 0.699 4.947 1.00 0.00 H new ATOM 0 HA ALA A 590 4.270 -1.233 4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 590 4.244 -1.281 7.171 1.00 0.00 H new ATOM 0 HB2 ALA A 590 4.605 0.352 6.562 1.00 0.00 H new ATOM 0 HB3 ALA A 590 2.983 -0.025 7.192 1.00 0.00 H new ATOM 894 N PHE A 591 2.808 -3.156 5.588 1.00 0.00 N ATOM 895 CA PHE A 591 1.924 -4.307 5.658 1.00 0.00 C ATOM 896 C PHE A 591 2.005 -4.977 7.031 1.00 0.00 C ATOM 897 O PHE A 591 3.093 -5.301 7.505 1.00 0.00 O ATOM 898 CB PHE A 591 2.394 -5.298 4.592 1.00 0.00 C ATOM 899 CG PHE A 591 2.995 -4.637 3.350 1.00 0.00 C ATOM 900 CD1 PHE A 591 2.406 -3.534 2.814 1.00 0.00 C ATOM 901 CD2 PHE A 591 4.118 -5.151 2.781 1.00 0.00 C ATOM 902 CE1 PHE A 591 2.964 -2.921 1.661 1.00 0.00 C ATOM 903 CE2 PHE A 591 4.676 -4.538 1.629 1.00 0.00 C ATOM 904 CZ PHE A 591 4.087 -3.435 1.093 1.00 0.00 C ATOM 0 H PHE A 591 3.786 -3.357 5.795 1.00 0.00 H new ATOM 0 HA PHE A 591 0.893 -3.994 5.496 1.00 0.00 H new ATOM 0 HB2 PHE A 591 3.136 -5.964 5.032 1.00 0.00 H new ATOM 0 HB3 PHE A 591 1.550 -5.917 4.289 1.00 0.00 H new ATOM 0 HD1 PHE A 591 1.514 -3.125 3.265 1.00 0.00 H new ATOM 0 HD2 PHE A 591 4.586 -6.027 3.206 1.00 0.00 H new ATOM 0 HE1 PHE A 591 2.496 -2.046 1.235 1.00 0.00 H new ATOM 0 HE2 PHE A 591 5.568 -4.947 1.178 1.00 0.00 H new ATOM 0 HZ PHE A 591 4.511 -2.968 0.217 1.00 0.00 H new ATOM 914 N ASN A 592 0.839 -5.166 7.632 1.00 0.00 N ATOM 915 CA ASN A 592 0.764 -5.792 8.941 1.00 0.00 C ATOM 916 C ASN A 592 -0.618 -6.423 9.121 1.00 0.00 C ATOM 917 O ASN A 592 -1.632 -5.810 8.791 1.00 0.00 O ATOM 918 CB ASN A 592 0.964 -4.763 10.056 1.00 0.00 C ATOM 919 CG ASN A 592 -0.221 -3.799 10.130 1.00 0.00 C ATOM 920 OD1 ASN A 592 -1.113 -3.932 10.951 1.00 0.00 O ATOM 921 ND2 ASN A 592 -0.181 -2.822 9.228 1.00 0.00 N ATOM 0 H ASN A 592 -0.062 -4.896 7.236 1.00 0.00 H new ATOM 0 HA ASN A 592 1.550 -6.545 9.001 1.00 0.00 H new ATOM 0 HB2 ASN A 592 1.082 -5.275 11.011 1.00 0.00 H new ATOM 0 HB3 ASN A 592 1.882 -4.203 9.879 1.00 0.00 H new ATOM 0 HD21 ASN A 592 -0.927 -2.127 9.196 1.00 0.00 H new ATOM 0 HD22 ASN A 592 0.595 -2.768 8.569 1.00 0.00 H new ATOM 928 N ASP A 593 -0.614 -7.640 9.646 1.00 0.00 N ATOM 929 CA ASP A 593 -1.855 -8.360 9.874 1.00 0.00 C ATOM 930 C ASP A 593 -2.606 -7.717 11.042 1.00 0.00 C ATOM 931 O ASP A 593 -3.804 -7.936 11.210 1.00 0.00 O ATOM 932 CB ASP A 593 -1.585 -9.822 10.233 1.00 0.00 C ATOM 933 CG ASP A 593 -0.353 -10.436 9.565 1.00 0.00 C ATOM 934 OD1 ASP A 593 0.392 -11.209 10.185 1.00 0.00 O ATOM 935 OD2 ASP A 593 -0.168 -10.085 8.337 1.00 0.00 O ATOM 0 H ASP A 593 0.229 -8.145 9.920 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.443 -8.316 8.958 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -1.470 -9.899 11.314 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -2.459 -10.414 9.962 1.00 0.00 H new ATOM 941 N GLY A 594 -1.869 -6.936 11.819 1.00 0.00 N ATOM 942 CA GLY A 594 -2.450 -6.260 12.966 1.00 0.00 C ATOM 943 C GLY A 594 -2.120 -7.001 14.264 1.00 0.00 C ATOM 944 O GLY A 594 -2.368 -6.489 15.355 1.00 0.00 O ATOM 0 H GLY A 594 -0.875 -6.757 11.676 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -2.073 -5.239 13.020 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -3.531 -6.195 12.845 1.00 0.00 H new ATOM 948 N ASN A 595 -1.566 -8.193 14.103 1.00 0.00 N ATOM 949 CA ASN A 595 -1.200 -9.009 15.248 1.00 0.00 C ATOM 950 C ASN A 595 0.275 -8.777 15.584 1.00 0.00 C ATOM 951 O ASN A 595 1.000 -9.721 15.895 1.00 0.00 O ATOM 952 CB ASN A 595 -1.387 -10.497 14.947 1.00 0.00 C ATOM 953 CG ASN A 595 -2.862 -10.827 14.709 1.00 0.00 C ATOM 954 OD1 ASN A 595 -3.311 -11.013 13.589 1.00 0.00 O ATOM 955 ND2 ASN A 595 -3.589 -10.889 15.821 1.00 0.00 N ATOM 0 H ASN A 595 -1.361 -8.614 13.197 1.00 0.00 H new ATOM 0 HA ASN A 595 -1.842 -8.726 16.082 1.00 0.00 H new ATOM 0 HB2 ASN A 595 -0.803 -10.770 14.068 1.00 0.00 H new ATOM 0 HB3 ASN A 595 -1.007 -11.090 15.779 1.00 0.00 H new ATOM 0 HD21 ASN A 595 -4.585 -11.103 15.768 1.00 0.00 H new ATOM 0 HD22 ASN A 595 -3.151 -10.723 16.727 1.00 0.00 H new ATOM 962 N ASN A 596 0.674 -7.516 15.509 1.00 0.00 N ATOM 963 CA ASN A 596 2.049 -7.148 15.801 1.00 0.00 C ATOM 964 C ASN A 596 2.978 -7.814 14.783 1.00 0.00 C ATOM 965 O ASN A 596 4.162 -8.009 15.052 1.00 0.00 O ATOM 966 CB ASN A 596 2.462 -7.620 17.196 1.00 0.00 C ATOM 967 CG ASN A 596 1.498 -7.092 18.261 1.00 0.00 C ATOM 968 OD1 ASN A 596 0.698 -7.819 18.826 1.00 0.00 O ATOM 969 ND2 ASN A 596 1.618 -5.790 18.501 1.00 0.00 N ATOM 0 H ASN A 596 0.069 -6.736 15.250 1.00 0.00 H new ATOM 0 HA ASN A 596 2.125 -6.062 15.751 1.00 0.00 H new ATOM 0 HB2 ASN A 596 2.480 -8.709 17.225 1.00 0.00 H new ATOM 0 HB3 ASN A 596 3.474 -7.279 17.415 1.00 0.00 H new ATOM 0 HD21 ASN A 596 1.019 -5.342 19.194 1.00 0.00 H new ATOM 0 HD22 ASN A 596 2.309 -5.239 17.992 1.00 0.00 H new ATOM 976 N ASN A 597 2.405 -8.145 13.635 1.00 0.00 N ATOM 977 CA ASN A 597 3.167 -8.785 12.576 1.00 0.00 C ATOM 978 C ASN A 597 3.294 -7.823 11.393 1.00 0.00 C ATOM 979 O ASN A 597 2.439 -7.805 10.508 1.00 0.00 O ATOM 980 CB ASN A 597 2.466 -10.052 12.082 1.00 0.00 C ATOM 981 CG ASN A 597 3.444 -11.226 12.009 1.00 0.00 C ATOM 982 OD1 ASN A 597 4.395 -11.229 11.244 1.00 0.00 O ATOM 983 ND2 ASN A 597 3.159 -12.220 12.845 1.00 0.00 N ATOM 0 H ASN A 597 1.422 -7.982 13.415 1.00 0.00 H new ATOM 0 HA ASN A 597 4.146 -9.047 12.976 1.00 0.00 H new ATOM 0 HB2 ASN A 597 1.643 -10.301 12.751 1.00 0.00 H new ATOM 0 HB3 ASN A 597 2.033 -9.872 11.098 1.00 0.00 H new ATOM 0 HD21 ASN A 597 3.752 -13.049 12.872 1.00 0.00 H new ATOM 0 HD22 ASN A 597 2.347 -12.153 13.459 1.00 0.00 H new ATOM 990 N TRP A 598 4.368 -7.047 11.414 1.00 0.00 N ATOM 991 CA TRP A 598 4.618 -6.085 10.354 1.00 0.00 C ATOM 992 C TRP A 598 5.720 -6.648 9.455 1.00 0.00 C ATOM 993 O TRP A 598 6.558 -7.426 9.908 1.00 0.00 O ATOM 994 CB TRP A 598 4.960 -4.710 10.931 1.00 0.00 C ATOM 995 CG TRP A 598 3.789 -4.022 11.635 1.00 0.00 C ATOM 996 CD1 TRP A 598 3.048 -4.486 12.650 1.00 0.00 C ATOM 997 CD2 TRP A 598 3.252 -2.716 11.333 1.00 0.00 C ATOM 998 NE1 TRP A 598 2.076 -3.580 13.023 1.00 0.00 N ATOM 999 CE2 TRP A 598 2.205 -2.469 12.197 1.00 0.00 C ATOM 1000 CE3 TRP A 598 3.639 -1.776 10.362 1.00 0.00 C ATOM 1001 CZ2 TRP A 598 1.457 -1.286 12.176 1.00 0.00 C ATOM 1002 CZ3 TRP A 598 2.882 -0.598 10.355 1.00 0.00 C ATOM 1003 CH2 TRP A 598 1.824 -0.334 11.217 1.00 0.00 C ATOM 0 H TRP A 598 5.075 -7.065 12.149 1.00 0.00 H new ATOM 0 HA TRP A 598 3.722 -5.933 9.752 1.00 0.00 H new ATOM 0 HB2 TRP A 598 5.783 -4.818 11.638 1.00 0.00 H new ATOM 0 HB3 TRP A 598 5.315 -4.067 10.125 1.00 0.00 H new ATOM 0 HD1 TRP A 598 3.193 -5.449 13.118 1.00 0.00 H new ATOM 0 HE1 TRP A 598 1.390 -3.703 13.767 1.00 0.00 H new ATOM 0 HE3 TRP A 598 4.455 -1.949 9.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 0.641 -1.117 12.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 3.138 0.159 9.629 1.00 0.00 H new ATOM 0 HH2 TRP A 598 1.288 0.601 11.147 1.00 0.00 H new ATOM 1014 N ASP A 599 5.684 -6.233 8.198 1.00 0.00 N ATOM 1015 CA ASP A 599 6.670 -6.686 7.231 1.00 0.00 C ATOM 1016 C ASP A 599 7.157 -5.492 6.408 1.00 0.00 C ATOM 1017 O ASP A 599 7.380 -5.613 5.205 1.00 0.00 O ATOM 1018 CB ASP A 599 6.067 -7.710 6.268 1.00 0.00 C ATOM 1019 CG ASP A 599 5.572 -9.001 6.922 1.00 0.00 C ATOM 1020 OD1 ASP A 599 5.762 -9.219 8.128 1.00 0.00 O ATOM 1021 OD2 ASP A 599 4.960 -9.815 6.130 1.00 0.00 O ATOM 0 H ASP A 599 4.987 -5.588 7.826 1.00 0.00 H new ATOM 0 HA ASP A 599 7.492 -7.147 7.779 1.00 0.00 H new ATOM 0 HB2 ASP A 599 5.233 -7.244 5.742 1.00 0.00 H new ATOM 0 HB3 ASP A 599 6.815 -7.965 5.517 1.00 0.00 H new ATOM 1027 N SER A 600 7.308 -4.366 7.090 1.00 0.00 N ATOM 1028 CA SER A 600 7.765 -3.151 6.437 1.00 0.00 C ATOM 1029 C SER A 600 9.287 -3.176 6.291 1.00 0.00 C ATOM 1030 O SER A 600 9.814 -3.747 5.337 1.00 0.00 O ATOM 1031 CB SER A 600 7.327 -1.909 7.216 1.00 0.00 C ATOM 1032 OG SER A 600 7.736 -1.963 8.580 1.00 0.00 O ATOM 0 H SER A 600 7.122 -4.270 8.088 1.00 0.00 H new ATOM 0 HA SER A 600 7.312 -3.104 5.447 1.00 0.00 H new ATOM 0 HB2 SER A 600 7.747 -1.020 6.746 1.00 0.00 H new ATOM 0 HB3 SER A 600 6.242 -1.814 7.166 1.00 0.00 H new ATOM 0 HG SER A 600 7.439 -1.152 9.043 1.00 0.00 H new ATOM 1038 N ASN A 601 9.953 -2.550 7.250 1.00 0.00 N ATOM 1039 CA ASN A 601 11.405 -2.494 7.240 1.00 0.00 C ATOM 1040 C ASN A 601 11.895 -1.863 8.545 1.00 0.00 C ATOM 1041 O ASN A 601 12.905 -1.161 8.558 1.00 0.00 O ATOM 1042 CB ASN A 601 11.914 -1.636 6.080 1.00 0.00 C ATOM 1043 CG ASN A 601 12.385 -2.512 4.917 1.00 0.00 C ATOM 1044 OD1 ASN A 601 12.194 -3.716 4.896 1.00 0.00 O ATOM 1045 ND2 ASN A 601 13.009 -1.841 3.953 1.00 0.00 N ATOM 0 H ASN A 601 9.514 -2.077 8.040 1.00 0.00 H new ATOM 0 HA ASN A 601 11.782 -3.511 7.129 1.00 0.00 H new ATOM 0 HB2 ASN A 601 11.121 -0.970 5.740 1.00 0.00 H new ATOM 0 HB3 ASN A 601 12.735 -1.006 6.422 1.00 0.00 H new ATOM 0 HD21 ASN A 601 13.361 -2.335 3.133 1.00 0.00 H new ATOM 0 HD22 ASN A 601 13.136 -0.832 4.034 1.00 0.00 H new ATOM 1052 N ASN A 602 11.158 -2.137 9.611 1.00 0.00 N ATOM 1053 CA ASN A 602 11.505 -1.606 10.918 1.00 0.00 C ATOM 1054 C ASN A 602 11.031 -0.155 11.016 1.00 0.00 C ATOM 1055 O ASN A 602 10.296 0.201 11.936 1.00 0.00 O ATOM 1056 CB ASN A 602 13.020 -1.624 11.135 1.00 0.00 C ATOM 1057 CG ASN A 602 13.363 -2.041 12.567 1.00 0.00 C ATOM 1058 OD1 ASN A 602 13.252 -3.195 12.949 1.00 0.00 O ATOM 1059 ND2 ASN A 602 13.786 -1.041 13.335 1.00 0.00 N ATOM 0 H ASN A 602 10.321 -2.720 9.596 1.00 0.00 H new ATOM 0 HA ASN A 602 11.025 -2.228 11.673 1.00 0.00 H new ATOM 0 HB2 ASN A 602 13.484 -2.314 10.430 1.00 0.00 H new ATOM 0 HB3 ASN A 602 13.432 -0.636 10.931 1.00 0.00 H new ATOM 0 HD21 ASN A 602 14.041 -1.217 14.307 1.00 0.00 H new ATOM 0 HD22 ASN A 602 13.856 -0.098 12.952 1.00 0.00 H new ATOM 1066 N THR A 603 11.472 0.645 10.056 1.00 0.00 N ATOM 1067 CA THR A 603 11.102 2.049 10.022 1.00 0.00 C ATOM 1068 C THR A 603 11.666 2.720 8.768 1.00 0.00 C ATOM 1069 O THR A 603 12.026 3.895 8.797 1.00 0.00 O ATOM 1070 CB THR A 603 11.581 2.696 11.324 1.00 0.00 C ATOM 1071 OG1 THR A 603 11.268 4.076 11.162 1.00 0.00 O ATOM 1072 CG2 THR A 603 13.105 2.673 11.463 1.00 0.00 C ATOM 0 H THR A 603 12.083 0.347 9.295 1.00 0.00 H new ATOM 0 HA THR A 603 10.021 2.171 9.959 1.00 0.00 H new ATOM 0 HB THR A 603 11.131 2.180 12.172 1.00 0.00 H new ATOM 0 HG1 THR A 603 11.672 4.408 10.333 1.00 0.00 H new ATOM 0 HG21 THR A 603 13.392 3.144 12.403 1.00 0.00 H new ATOM 0 HG22 THR A 603 13.456 1.641 11.452 1.00 0.00 H new ATOM 0 HG23 THR A 603 13.554 3.218 10.633 1.00 0.00 H new ATOM 1080 N LYS A 604 11.725 1.943 7.696 1.00 0.00 N ATOM 1081 CA LYS A 604 12.239 2.446 6.434 1.00 0.00 C ATOM 1082 C LYS A 604 11.123 2.418 5.387 1.00 0.00 C ATOM 1083 O LYS A 604 11.073 3.275 4.505 1.00 0.00 O ATOM 1084 CB LYS A 604 13.492 1.673 6.019 1.00 0.00 C ATOM 1085 CG LYS A 604 14.660 2.624 5.752 1.00 0.00 C ATOM 1086 CD LYS A 604 14.363 3.535 4.559 1.00 0.00 C ATOM 1087 CE LYS A 604 15.654 4.123 3.984 1.00 0.00 C ATOM 1088 NZ LYS A 604 15.522 5.586 3.805 1.00 0.00 N ATOM 0 H LYS A 604 11.425 0.968 7.676 1.00 0.00 H new ATOM 0 HA LYS A 604 12.554 3.484 6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 604 13.765 0.968 6.804 1.00 0.00 H new ATOM 0 HB3 LYS A 604 13.283 1.088 5.123 1.00 0.00 H new ATOM 0 HG2 LYS A 604 14.851 3.230 6.638 1.00 0.00 H new ATOM 0 HG3 LYS A 604 15.565 2.049 5.558 1.00 0.00 H new ATOM 0 HD2 LYS A 604 13.841 2.970 3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 604 13.698 4.341 4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 604 16.488 3.906 4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 604 15.880 3.652 3.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 16.406 5.969 3.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 14.739 5.786 3.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 15.328 6.032 4.724 1.00 0.00 H new ATOM 1101 N ASN A 605 10.257 1.425 5.518 1.00 0.00 N ATOM 1102 CA ASN A 605 9.145 1.274 4.595 1.00 0.00 C ATOM 1103 C ASN A 605 9.622 1.585 3.175 1.00 0.00 C ATOM 1104 O ASN A 605 10.823 1.587 2.906 1.00 0.00 O ATOM 1105 CB ASN A 605 8.011 2.243 4.935 1.00 0.00 C ATOM 1106 CG ASN A 605 7.972 2.536 6.436 1.00 0.00 C ATOM 1107 OD1 ASN A 605 7.447 1.772 7.230 1.00 0.00 O ATOM 1108 ND2 ASN A 605 8.554 3.681 6.779 1.00 0.00 N ATOM 0 H ASN A 605 10.303 0.716 6.250 1.00 0.00 H new ATOM 0 HA ASN A 605 8.779 0.250 4.672 1.00 0.00 H new ATOM 0 HB2 ASN A 605 8.145 3.173 4.383 1.00 0.00 H new ATOM 0 HB3 ASN A 605 7.058 1.819 4.619 1.00 0.00 H new ATOM 0 HD21 ASN A 605 8.580 3.967 7.758 1.00 0.00 H new ATOM 0 HD22 ASN A 605 8.975 4.274 6.063 1.00 0.00 H new ATOM 1115 N TYR A 606 8.658 1.841 2.303 1.00 0.00 N ATOM 1116 CA TYR A 606 8.964 2.152 0.917 1.00 0.00 C ATOM 1117 C TYR A 606 8.233 3.418 0.465 1.00 0.00 C ATOM 1118 O TYR A 606 7.272 3.845 1.103 1.00 0.00 O ATOM 1119 CB TYR A 606 8.458 0.965 0.096 1.00 0.00 C ATOM 1120 CG TYR A 606 9.305 -0.301 0.246 1.00 0.00 C ATOM 1121 CD1 TYR A 606 10.656 -0.264 -0.031 1.00 0.00 C ATOM 1122 CD2 TYR A 606 8.716 -1.480 0.657 1.00 0.00 C ATOM 1123 CE1 TYR A 606 11.453 -1.455 0.110 1.00 0.00 C ATOM 1124 CE2 TYR A 606 9.513 -2.671 0.798 1.00 0.00 C ATOM 1125 CZ TYR A 606 10.842 -2.600 0.517 1.00 0.00 C ATOM 1126 OH TYR A 606 11.594 -3.725 0.650 1.00 0.00 O ATOM 0 H TYR A 606 7.664 1.839 2.530 1.00 0.00 H new ATOM 0 HA TYR A 606 10.033 2.323 0.789 1.00 0.00 H new ATOM 0 HB2 TYR A 606 7.433 0.742 0.393 1.00 0.00 H new ATOM 0 HB3 TYR A 606 8.431 1.249 -0.956 1.00 0.00 H new ATOM 0 HD1 TYR A 606 11.116 0.658 -0.354 1.00 0.00 H new ATOM 0 HD2 TYR A 606 7.658 -1.509 0.873 1.00 0.00 H new ATOM 0 HE1 TYR A 606 12.512 -1.439 -0.103 1.00 0.00 H new ATOM 0 HE2 TYR A 606 9.066 -3.600 1.120 1.00 0.00 H new ATOM 0 HH TYR A 606 12.511 -3.479 0.891 1.00 0.00 H new ATOM 1136 N LEU A 607 8.717 3.983 -0.631 1.00 0.00 N ATOM 1137 CA LEU A 607 8.122 5.191 -1.176 1.00 0.00 C ATOM 1138 C LEU A 607 7.540 4.889 -2.558 1.00 0.00 C ATOM 1139 O LEU A 607 8.248 4.410 -3.443 1.00 0.00 O ATOM 1140 CB LEU A 607 9.136 6.337 -1.172 1.00 0.00 C ATOM 1141 CG LEU A 607 9.676 6.750 0.198 1.00 0.00 C ATOM 1142 CD1 LEU A 607 10.941 5.964 0.549 1.00 0.00 C ATOM 1143 CD2 LEU A 607 9.904 8.261 0.265 1.00 0.00 C ATOM 0 H LEU A 607 9.515 3.626 -1.157 1.00 0.00 H new ATOM 0 HA LEU A 607 7.296 5.525 -0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 607 9.979 6.052 -1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 607 8.672 7.208 -1.635 1.00 0.00 H new ATOM 0 HG LEU A 607 8.925 6.504 0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 607 11.304 6.277 1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 607 10.713 4.898 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 607 11.708 6.156 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 607 10.288 8.528 1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 607 10.626 8.554 -0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 607 8.961 8.779 0.091 1.00 0.00 H new ATOM 1155 N PHE A 608 6.256 5.183 -2.702 1.00 0.00 N ATOM 1156 CA PHE A 608 5.571 4.949 -3.962 1.00 0.00 C ATOM 1157 C PHE A 608 4.957 6.243 -4.500 1.00 0.00 C ATOM 1158 O PHE A 608 4.532 7.101 -3.728 1.00 0.00 O ATOM 1159 CB PHE A 608 4.451 3.945 -3.682 1.00 0.00 C ATOM 1160 CG PHE A 608 4.873 2.774 -2.793 1.00 0.00 C ATOM 1161 CD1 PHE A 608 6.005 2.075 -3.079 1.00 0.00 C ATOM 1162 CD2 PHE A 608 4.117 2.431 -1.716 1.00 0.00 C ATOM 1163 CE1 PHE A 608 6.396 0.988 -2.254 1.00 0.00 C ATOM 1164 CE2 PHE A 608 4.509 1.344 -0.890 1.00 0.00 C ATOM 1165 CZ PHE A 608 5.640 0.645 -1.177 1.00 0.00 C ATOM 0 H PHE A 608 5.672 5.581 -1.967 1.00 0.00 H new ATOM 0 HA PHE A 608 6.275 4.576 -4.705 1.00 0.00 H new ATOM 0 HB2 PHE A 608 3.620 4.467 -3.208 1.00 0.00 H new ATOM 0 HB3 PHE A 608 4.082 3.554 -4.630 1.00 0.00 H new ATOM 0 HD1 PHE A 608 6.606 2.347 -3.934 1.00 0.00 H new ATOM 0 HD2 PHE A 608 3.218 2.985 -1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 608 7.294 0.433 -2.482 1.00 0.00 H new ATOM 0 HE2 PHE A 608 3.909 1.072 -0.034 1.00 0.00 H new ATOM 0 HZ PHE A 608 5.938 -0.182 -0.550 1.00 0.00 H new ATOM 1175 N SER A 609 4.930 6.342 -5.821 1.00 0.00 N ATOM 1176 CA SER A 609 4.375 7.517 -6.472 1.00 0.00 C ATOM 1177 C SER A 609 3.077 7.151 -7.194 1.00 0.00 C ATOM 1178 O SER A 609 2.793 5.973 -7.411 1.00 0.00 O ATOM 1179 CB SER A 609 5.376 8.126 -7.456 1.00 0.00 C ATOM 1180 OG SER A 609 4.833 9.250 -8.142 1.00 0.00 O ATOM 0 H SER A 609 5.283 5.628 -6.458 1.00 0.00 H new ATOM 0 HA SER A 609 4.160 8.262 -5.706 1.00 0.00 H new ATOM 0 HB2 SER A 609 6.275 8.429 -6.918 1.00 0.00 H new ATOM 0 HB3 SER A 609 5.678 7.370 -8.181 1.00 0.00 H new ATOM 0 HG SER A 609 5.503 9.611 -8.759 1.00 0.00 H new ATOM 1186 N THR A 610 2.323 8.181 -7.548 1.00 0.00 N ATOM 1187 CA THR A 610 1.061 7.983 -8.241 1.00 0.00 C ATOM 1188 C THR A 610 1.244 7.017 -9.413 1.00 0.00 C ATOM 1189 O THR A 610 2.354 6.843 -9.913 1.00 0.00 O ATOM 1190 CB THR A 610 0.532 9.355 -8.661 1.00 0.00 C ATOM 1191 OG1 THR A 610 1.628 9.956 -9.345 1.00 0.00 O ATOM 1192 CG2 THR A 610 0.287 10.279 -7.466 1.00 0.00 C ATOM 0 H THR A 610 2.562 9.156 -7.368 1.00 0.00 H new ATOM 0 HA THR A 610 0.320 7.519 -7.590 1.00 0.00 H new ATOM 0 HB THR A 610 -0.395 9.230 -9.220 1.00 0.00 H new ATOM 0 HG1 THR A 610 1.371 10.850 -9.654 1.00 0.00 H new ATOM 0 HG21 THR A 610 -0.088 11.240 -7.820 1.00 0.00 H new ATOM 0 HG22 THR A 610 -0.447 9.826 -6.800 1.00 0.00 H new ATOM 0 HG23 THR A 610 1.222 10.431 -6.926 1.00 0.00 H new ATOM 1200 N GLY A 611 0.136 6.413 -9.819 1.00 0.00 N ATOM 1201 CA GLY A 611 0.159 5.469 -10.923 1.00 0.00 C ATOM 1202 C GLY A 611 -0.268 4.075 -10.462 1.00 0.00 C ATOM 1203 O GLY A 611 -0.953 3.935 -9.450 1.00 0.00 O ATOM 0 H GLY A 611 -0.784 6.560 -9.403 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -0.506 5.814 -11.715 1.00 0.00 H new ATOM 0 HA3 GLY A 611 1.162 5.424 -11.347 1.00 0.00 H new ATOM 1207 N THR A 612 0.153 3.078 -11.226 1.00 0.00 N ATOM 1208 CA THR A 612 -0.178 1.699 -10.909 1.00 0.00 C ATOM 1209 C THR A 612 1.037 0.982 -10.317 1.00 0.00 C ATOM 1210 O THR A 612 2.121 1.008 -10.898 1.00 0.00 O ATOM 1211 CB THR A 612 -0.715 1.037 -12.179 1.00 0.00 C ATOM 1212 OG1 THR A 612 -1.500 2.055 -12.795 1.00 0.00 O ATOM 1213 CG2 THR A 612 -1.719 -0.077 -11.878 1.00 0.00 C ATOM 0 H THR A 612 0.721 3.198 -12.065 1.00 0.00 H new ATOM 0 HA THR A 612 -0.953 1.644 -10.145 1.00 0.00 H new ATOM 0 HB THR A 612 0.116 0.631 -12.756 1.00 0.00 H new ATOM 0 HG1 THR A 612 -1.886 1.712 -13.628 1.00 0.00 H new ATOM 0 HG21 THR A 612 -2.069 -0.514 -12.813 1.00 0.00 H new ATOM 0 HG22 THR A 612 -1.238 -0.847 -11.276 1.00 0.00 H new ATOM 0 HG23 THR A 612 -2.566 0.335 -11.330 1.00 0.00 H new ATOM 1221 N SER A 613 0.816 0.358 -9.169 1.00 0.00 N ATOM 1222 CA SER A 613 1.879 -0.365 -8.493 1.00 0.00 C ATOM 1223 C SER A 613 1.320 -1.636 -7.850 1.00 0.00 C ATOM 1224 O SER A 613 0.122 -1.730 -7.590 1.00 0.00 O ATOM 1225 CB SER A 613 2.555 0.511 -7.436 1.00 0.00 C ATOM 1226 OG SER A 613 1.625 0.998 -6.472 1.00 0.00 O ATOM 0 H SER A 613 -0.084 0.338 -8.690 1.00 0.00 H new ATOM 0 HA SER A 613 2.630 -0.640 -9.233 1.00 0.00 H new ATOM 0 HB2 SER A 613 3.332 -0.064 -6.932 1.00 0.00 H new ATOM 0 HB3 SER A 613 3.046 1.353 -7.923 1.00 0.00 H new ATOM 0 HG SER A 613 0.755 1.141 -6.900 1.00 0.00 H new ATOM 1232 N THR A 614 2.216 -2.583 -7.613 1.00 0.00 N ATOM 1233 CA THR A 614 1.828 -3.845 -7.006 1.00 0.00 C ATOM 1234 C THR A 614 2.796 -4.216 -5.881 1.00 0.00 C ATOM 1235 O THR A 614 3.966 -4.501 -6.133 1.00 0.00 O ATOM 1236 CB THR A 614 1.750 -4.898 -8.113 1.00 0.00 C ATOM 1237 OG1 THR A 614 1.198 -4.195 -9.223 1.00 0.00 O ATOM 1238 CG2 THR A 614 0.719 -5.988 -7.813 1.00 0.00 C ATOM 0 H THR A 614 3.209 -2.502 -7.830 1.00 0.00 H new ATOM 0 HA THR A 614 0.847 -3.773 -6.537 1.00 0.00 H new ATOM 0 HB THR A 614 2.731 -5.354 -8.250 1.00 0.00 H new ATOM 0 HG1 THR A 614 1.114 -4.803 -9.987 1.00 0.00 H new ATOM 0 HG21 THR A 614 0.704 -6.709 -8.630 1.00 0.00 H new ATOM 0 HG22 THR A 614 0.985 -6.495 -6.886 1.00 0.00 H new ATOM 0 HG23 THR A 614 -0.268 -5.537 -7.709 1.00 0.00 H new ATOM 1246 N TYR A 615 2.273 -4.201 -4.664 1.00 0.00 N ATOM 1247 CA TYR A 615 3.077 -4.532 -3.500 1.00 0.00 C ATOM 1248 C TYR A 615 2.878 -5.994 -3.094 1.00 0.00 C ATOM 1249 O TYR A 615 1.782 -6.388 -2.696 1.00 0.00 O ATOM 1250 CB TYR A 615 2.576 -3.629 -2.371 1.00 0.00 C ATOM 1251 CG TYR A 615 2.128 -4.387 -1.120 1.00 0.00 C ATOM 1252 CD1 TYR A 615 2.986 -5.279 -0.508 1.00 0.00 C ATOM 1253 CD2 TYR A 615 0.865 -4.180 -0.602 1.00 0.00 C ATOM 1254 CE1 TYR A 615 2.564 -5.992 0.669 1.00 0.00 C ATOM 1255 CE2 TYR A 615 0.443 -4.894 0.575 1.00 0.00 C ATOM 1256 CZ TYR A 615 1.314 -5.765 1.152 1.00 0.00 C ATOM 1257 OH TYR A 615 0.915 -6.439 2.264 1.00 0.00 O ATOM 0 H TYR A 615 1.302 -3.965 -4.459 1.00 0.00 H new ATOM 0 HA TYR A 615 4.136 -4.388 -3.712 1.00 0.00 H new ATOM 0 HB2 TYR A 615 3.369 -2.933 -2.097 1.00 0.00 H new ATOM 0 HB3 TYR A 615 1.742 -3.032 -2.740 1.00 0.00 H new ATOM 0 HD1 TYR A 615 3.974 -5.442 -0.913 1.00 0.00 H new ATOM 0 HD2 TYR A 615 0.193 -3.482 -1.080 1.00 0.00 H new ATOM 0 HE1 TYR A 615 3.226 -6.692 1.157 1.00 0.00 H new ATOM 0 HE2 TYR A 615 -0.542 -4.742 0.990 1.00 0.00 H new ATOM 0 HH TYR A 615 0.334 -7.184 2.004 1.00 0.00 H new ATOM 1267 N THR A 616 3.954 -6.758 -3.208 1.00 0.00 N ATOM 1268 CA THR A 616 3.911 -8.168 -2.858 1.00 0.00 C ATOM 1269 C THR A 616 4.850 -8.454 -1.684 1.00 0.00 C ATOM 1270 O THR A 616 6.069 -8.390 -1.829 1.00 0.00 O ATOM 1271 CB THR A 616 4.244 -8.977 -4.113 1.00 0.00 C ATOM 1272 OG1 THR A 616 3.259 -8.571 -5.059 1.00 0.00 O ATOM 1273 CG2 THR A 616 3.990 -10.474 -3.929 1.00 0.00 C ATOM 0 H THR A 616 4.861 -6.428 -3.538 1.00 0.00 H new ATOM 0 HA THR A 616 2.918 -8.462 -2.519 1.00 0.00 H new ATOM 0 HB THR A 616 5.288 -8.817 -4.382 1.00 0.00 H new ATOM 0 HG1 THR A 616 3.402 -9.046 -5.904 1.00 0.00 H new ATOM 0 HG21 THR A 616 4.242 -11.002 -4.849 1.00 0.00 H new ATOM 0 HG22 THR A 616 4.608 -10.850 -3.114 1.00 0.00 H new ATOM 0 HG23 THR A 616 2.939 -10.638 -3.693 1.00 0.00 H new ATOM 1281 N PRO A 617 4.229 -8.773 -0.516 1.00 0.00 N ATOM 1282 CA PRO A 617 4.995 -9.070 0.682 1.00 0.00 C ATOM 1283 C PRO A 617 5.626 -10.461 0.598 1.00 0.00 C ATOM 1284 O PRO A 617 5.597 -11.098 -0.454 1.00 0.00 O ATOM 1285 CB PRO A 617 4.003 -8.935 1.826 1.00 0.00 C ATOM 1286 CG PRO A 617 2.623 -9.025 1.195 1.00 0.00 C ATOM 1287 CD PRO A 617 2.786 -8.858 -0.307 1.00 0.00 C ATOM 0 HA PRO A 617 5.838 -8.393 0.822 1.00 0.00 H new ATOM 0 HB2 PRO A 617 4.147 -9.725 2.563 1.00 0.00 H new ATOM 0 HB3 PRO A 617 4.133 -7.986 2.346 1.00 0.00 H new ATOM 0 HG2 PRO A 617 2.160 -9.985 1.424 1.00 0.00 H new ATOM 0 HG3 PRO A 617 1.968 -8.251 1.596 1.00 0.00 H new ATOM 0 HD2 PRO A 617 2.356 -9.701 -0.848 1.00 0.00 H new ATOM 0 HD3 PRO A 617 2.281 -7.960 -0.663 1.00 0.00 H new ATOM 1295 N GLY A 618 6.182 -10.892 1.721 1.00 0.00 N ATOM 1296 CA GLY A 618 6.820 -12.196 1.788 1.00 0.00 C ATOM 1297 C GLY A 618 5.922 -13.209 2.500 1.00 0.00 C ATOM 1298 O GLY A 618 4.698 -13.080 2.483 1.00 0.00 O ATOM 0 H GLY A 618 6.204 -10.361 2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 618 7.044 -12.548 0.781 1.00 0.00 H new ATOM 0 HA3 GLY A 618 7.770 -12.113 2.315 1.00 0.00 H new ATOM 1302 N SER A 619 6.563 -14.196 3.109 1.00 0.00 N ATOM 1303 CA SER A 619 5.838 -15.231 3.825 1.00 0.00 C ATOM 1304 C SER A 619 6.313 -15.293 5.278 1.00 0.00 C ATOM 1305 O SER A 619 5.502 -15.394 6.197 1.00 0.00 O ATOM 1306 CB SER A 619 6.013 -16.593 3.151 1.00 0.00 C ATOM 1307 OG SER A 619 7.385 -16.954 3.024 1.00 0.00 O ATOM 0 H SER A 619 7.578 -14.300 3.121 1.00 0.00 H new ATOM 0 HA SER A 619 4.777 -14.980 3.806 1.00 0.00 H new ATOM 0 HB2 SER A 619 5.490 -17.354 3.730 1.00 0.00 H new ATOM 0 HB3 SER A 619 5.551 -16.571 2.164 1.00 0.00 H new ATOM 0 HG SER A 619 7.454 -17.830 2.591 1.00 0.00 H new ATOM 1313 N ASN A 620 7.627 -15.230 5.441 1.00 0.00 N ATOM 1314 CA ASN A 620 8.220 -15.278 6.766 1.00 0.00 C ATOM 1315 C ASN A 620 8.712 -13.881 7.151 1.00 0.00 C ATOM 1316 O ASN A 620 9.916 -13.649 7.250 1.00 0.00 O ATOM 1317 CB ASN A 620 9.419 -16.228 6.799 1.00 0.00 C ATOM 1318 CG ASN A 620 8.985 -17.647 7.169 1.00 0.00 C ATOM 1319 OD1 ASN A 620 7.955 -18.141 6.740 1.00 0.00 O ATOM 1320 ND2 ASN A 620 9.825 -18.274 7.987 1.00 0.00 N ATOM 0 H ASN A 620 8.297 -15.146 4.677 1.00 0.00 H new ATOM 0 HA ASN A 620 7.460 -15.632 7.463 1.00 0.00 H new ATOM 0 HB2 ASN A 620 9.908 -16.236 5.825 1.00 0.00 H new ATOM 0 HB3 ASN A 620 10.152 -15.869 7.521 1.00 0.00 H new ATOM 0 HD21 ASN A 620 9.624 -19.226 8.292 1.00 0.00 H new ATOM 0 HD22 ASN A 620 10.670 -17.803 8.309 1.00 0.00 H new ATOM 1327 N GLY A 621 7.756 -12.988 7.356 1.00 0.00 N ATOM 1328 CA GLY A 621 8.077 -11.620 7.728 1.00 0.00 C ATOM 1329 C GLY A 621 9.347 -11.144 7.021 1.00 0.00 C ATOM 1330 O GLY A 621 10.281 -10.671 7.667 1.00 0.00 O ATOM 0 H GLY A 621 6.759 -13.184 7.272 1.00 0.00 H new ATOM 0 HA2 GLY A 621 7.245 -10.964 7.470 1.00 0.00 H new ATOM 0 HA3 GLY A 621 8.211 -11.555 8.808 1.00 0.00 H new ATOM 1334 N ALA A 622 9.341 -11.285 5.703 1.00 0.00 N ATOM 1335 CA ALA A 622 10.482 -10.875 4.902 1.00 0.00 C ATOM 1336 C ALA A 622 10.025 -9.855 3.857 1.00 0.00 C ATOM 1337 O ALA A 622 9.343 -10.209 2.896 1.00 0.00 O ATOM 1338 CB ALA A 622 11.130 -12.108 4.269 1.00 0.00 C ATOM 0 H ALA A 622 8.565 -11.677 5.170 1.00 0.00 H new ATOM 0 HA ALA A 622 11.236 -10.394 5.525 1.00 0.00 H new ATOM 0 HB1 ALA A 622 11.986 -11.801 3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 622 11.463 -12.788 5.054 1.00 0.00 H new ATOM 0 HB3 ALA A 622 10.404 -12.615 3.634 1.00 0.00 H new ATOM 1344 N ALA A 623 10.418 -8.610 4.080 1.00 0.00 N ATOM 1345 CA ALA A 623 10.058 -7.536 3.170 1.00 0.00 C ATOM 1346 C ALA A 623 10.043 -8.072 1.737 1.00 0.00 C ATOM 1347 O ALA A 623 10.966 -8.771 1.321 1.00 0.00 O ATOM 1348 CB ALA A 623 11.031 -6.369 3.345 1.00 0.00 C ATOM 0 H ALA A 623 10.983 -8.321 4.878 1.00 0.00 H new ATOM 0 HA ALA A 623 9.059 -7.163 3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 623 10.760 -5.564 2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 623 10.983 -6.006 4.372 1.00 0.00 H new ATOM 0 HB3 ALA A 623 12.045 -6.705 3.126 1.00 0.00 H new ATOM 1354 N GLY A 624 8.983 -7.725 1.020 1.00 0.00 N ATOM 1355 CA GLY A 624 8.836 -8.162 -0.357 1.00 0.00 C ATOM 1356 C GLY A 624 9.343 -7.095 -1.329 1.00 0.00 C ATOM 1357 O GLY A 624 10.411 -6.519 -1.122 1.00 0.00 O ATOM 0 H GLY A 624 8.218 -7.146 1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 624 9.389 -9.089 -0.509 1.00 0.00 H new ATOM 0 HA3 GLY A 624 7.788 -8.378 -0.564 1.00 0.00 H new ATOM 1361 N THR A 625 8.555 -6.863 -2.368 1.00 0.00 N ATOM 1362 CA THR A 625 8.911 -5.875 -3.372 1.00 0.00 C ATOM 1363 C THR A 625 7.652 -5.292 -4.017 1.00 0.00 C ATOM 1364 O THR A 625 6.564 -5.851 -3.880 1.00 0.00 O ATOM 1365 CB THR A 625 9.855 -6.540 -4.376 1.00 0.00 C ATOM 1366 OG1 THR A 625 9.259 -7.810 -4.625 1.00 0.00 O ATOM 1367 CG2 THR A 625 11.215 -6.881 -3.763 1.00 0.00 C ATOM 0 H THR A 625 7.671 -7.343 -2.537 1.00 0.00 H new ATOM 0 HA THR A 625 9.432 -5.028 -2.926 1.00 0.00 H new ATOM 0 HB THR A 625 9.997 -5.880 -5.232 1.00 0.00 H new ATOM 0 HG1 THR A 625 9.806 -8.308 -5.268 1.00 0.00 H new ATOM 0 HG21 THR A 625 11.847 -7.351 -4.517 1.00 0.00 H new ATOM 0 HG22 THR A 625 11.693 -5.968 -3.407 1.00 0.00 H new ATOM 0 HG23 THR A 625 11.076 -7.567 -2.928 1.00 0.00 H new ATOM 1375 N ILE A 626 7.841 -4.176 -4.706 1.00 0.00 N ATOM 1376 CA ILE A 626 6.734 -3.512 -5.372 1.00 0.00 C ATOM 1377 C ILE A 626 7.026 -3.422 -6.871 1.00 0.00 C ATOM 1378 O ILE A 626 8.080 -2.930 -7.273 1.00 0.00 O ATOM 1379 CB ILE A 626 6.451 -2.157 -4.718 1.00 0.00 C ATOM 1380 CG1 ILE A 626 7.080 -2.078 -3.326 1.00 0.00 C ATOM 1381 CG2 ILE A 626 4.949 -1.868 -4.687 1.00 0.00 C ATOM 1382 CD1 ILE A 626 8.531 -1.601 -3.406 1.00 0.00 C ATOM 0 H ILE A 626 8.744 -3.715 -4.817 1.00 0.00 H new ATOM 0 HA ILE A 626 5.818 -4.092 -5.260 1.00 0.00 H new ATOM 0 HB ILE A 626 6.916 -1.380 -5.325 1.00 0.00 H new ATOM 0 HG12 ILE A 626 6.503 -1.396 -2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 626 7.041 -3.058 -2.849 1.00 0.00 H new ATOM 0 HG21 ILE A 626 4.774 -0.900 -4.218 1.00 0.00 H new ATOM 0 HG22 ILE A 626 4.560 -1.853 -5.705 1.00 0.00 H new ATOM 0 HG23 ILE A 626 4.441 -2.645 -4.116 1.00 0.00 H new ATOM 0 HD11 ILE A 626 8.954 -1.554 -2.403 1.00 0.00 H new ATOM 0 HD12 ILE A 626 9.110 -2.298 -4.012 1.00 0.00 H new ATOM 0 HD13 ILE A 626 8.564 -0.611 -3.861 1.00 0.00 H new ATOM 1394 N ARG A 627 6.075 -3.904 -7.657 1.00 0.00 N ATOM 1395 CA ARG A 627 6.217 -3.885 -9.103 1.00 0.00 C ATOM 1396 C ARG A 627 5.225 -2.898 -9.721 1.00 0.00 C ATOM 1397 O ARG A 627 4.018 -3.017 -9.519 1.00 0.00 O ATOM 1398 CB ARG A 627 5.982 -5.274 -9.698 1.00 0.00 C ATOM 1399 CG ARG A 627 6.371 -5.310 -11.178 1.00 0.00 C ATOM 1400 CD ARG A 627 5.246 -5.905 -12.027 1.00 0.00 C ATOM 1401 NE ARG A 627 5.807 -6.829 -13.036 1.00 0.00 N ATOM 1402 CZ ARG A 627 6.651 -6.453 -14.021 1.00 0.00 C ATOM 1403 NH1 ARG A 627 7.037 -5.165 -14.137 1.00 0.00 N ATOM 1404 NH2 ARG A 627 7.092 -7.364 -14.869 1.00 0.00 N ATOM 0 H ARG A 627 5.202 -4.310 -7.320 1.00 0.00 H new ATOM 0 HA ARG A 627 7.236 -3.572 -9.332 1.00 0.00 H new ATOM 0 HB2 ARG A 627 6.564 -6.013 -9.147 1.00 0.00 H new ATOM 0 HB3 ARG A 627 4.933 -5.548 -9.587 1.00 0.00 H new ATOM 0 HG2 ARG A 627 6.597 -4.301 -11.523 1.00 0.00 H new ATOM 0 HG3 ARG A 627 7.278 -5.901 -11.305 1.00 0.00 H new ATOM 0 HD2 ARG A 627 4.540 -6.436 -11.389 1.00 0.00 H new ATOM 0 HD3 ARG A 627 4.692 -5.107 -12.521 1.00 0.00 H new ATOM 0 HE ARG A 627 5.540 -7.812 -12.985 1.00 0.00 H new ATOM 0 HH11 ARG A 627 6.691 -4.468 -13.478 1.00 0.00 H new ATOM 0 HH12 ARG A 627 7.675 -4.889 -14.884 1.00 0.00 H new ATOM 0 HH21 ARG A 627 6.795 -8.335 -14.774 1.00 0.00 H new ATOM 0 HH22 ARG A 627 7.730 -7.097 -15.619 1.00 0.00 H new ATOM 1417 N THR A 628 5.771 -1.944 -10.461 1.00 0.00 N ATOM 1418 CA THR A 628 4.949 -0.937 -11.110 1.00 0.00 C ATOM 1419 C THR A 628 4.270 -1.520 -12.350 1.00 0.00 C ATOM 1420 O THR A 628 4.826 -2.396 -13.013 1.00 0.00 O ATOM 1421 CB THR A 628 5.835 0.273 -11.414 1.00 0.00 C ATOM 1422 OG1 THR A 628 7.069 -0.030 -10.769 1.00 0.00 O ATOM 1423 CG2 THR A 628 5.351 1.544 -10.715 1.00 0.00 C ATOM 0 H THR A 628 6.773 -1.847 -10.625 1.00 0.00 H new ATOM 0 HA THR A 628 4.139 -0.609 -10.459 1.00 0.00 H new ATOM 0 HB THR A 628 5.864 0.440 -12.491 1.00 0.00 H new ATOM 0 HG1 THR A 628 7.704 0.702 -10.917 1.00 0.00 H new ATOM 0 HG21 THR A 628 6.015 2.372 -10.964 1.00 0.00 H new ATOM 0 HG22 THR A 628 4.339 1.778 -11.045 1.00 0.00 H new ATOM 0 HG23 THR A 628 5.354 1.389 -9.636 1.00 0.00 H new ATOM 1431 N GLY A 629 3.078 -1.012 -12.628 1.00 0.00 N ATOM 1432 CA GLY A 629 2.318 -1.472 -13.777 1.00 0.00 C ATOM 1433 C GLY A 629 1.060 -2.225 -13.337 1.00 0.00 C ATOM 1434 O GLY A 629 1.079 -2.941 -12.337 1.00 0.00 O ATOM 0 H GLY A 629 2.620 -0.286 -12.077 1.00 0.00 H new ATOM 0 HA2 GLY A 629 2.038 -0.620 -14.397 1.00 0.00 H new ATOM 0 HA3 GLY A 629 2.940 -2.123 -14.392 1.00 0.00 H new ATOM 1438 N ALA A 630 -0.002 -2.037 -14.106 1.00 0.00 N ATOM 1439 CA ALA A 630 -1.266 -2.690 -13.808 1.00 0.00 C ATOM 1440 C ALA A 630 -1.068 -4.207 -13.824 1.00 0.00 C ATOM 1441 O ALA A 630 -0.534 -4.756 -14.786 1.00 0.00 O ATOM 1442 CB ALA A 630 -2.327 -2.229 -14.810 1.00 0.00 C ATOM 0 H ALA A 630 -0.014 -1.442 -14.935 1.00 0.00 H new ATOM 0 HA ALA A 630 -1.616 -2.414 -12.813 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -3.275 -2.718 -14.587 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -2.451 -1.148 -14.738 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -2.012 -2.491 -15.820 1.00 0.00 H new ATOM 1448 N PRO A 631 -1.520 -4.857 -12.719 1.00 0.00 N ATOM 1449 CA PRO A 631 -1.399 -6.300 -12.597 1.00 0.00 C ATOM 1450 C PRO A 631 -2.425 -7.013 -13.479 1.00 0.00 C ATOM 1451 O PRO A 631 -3.399 -6.405 -13.920 1.00 0.00 O ATOM 1452 CB PRO A 631 -1.586 -6.587 -11.116 1.00 0.00 C ATOM 1453 CG PRO A 631 -2.265 -5.357 -10.536 1.00 0.00 C ATOM 1454 CD PRO A 631 -2.157 -4.238 -11.560 1.00 0.00 C ATOM 0 HA PRO A 631 -0.434 -6.672 -12.942 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -2.196 -7.478 -10.965 1.00 0.00 H new ATOM 0 HB3 PRO A 631 -0.628 -6.770 -10.630 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -3.310 -5.569 -10.311 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -1.790 -5.065 -9.600 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -3.138 -3.838 -11.814 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -1.563 -3.408 -11.178 1.00 0.00 H new ATOM 1462 N SER A 632 -2.172 -8.293 -13.710 1.00 0.00 N ATOM 1463 CA SER A 632 -3.063 -9.095 -14.531 1.00 0.00 C ATOM 1464 C SER A 632 -2.963 -10.568 -14.127 1.00 0.00 C ATOM 1465 O SER A 632 -2.336 -11.365 -14.823 1.00 0.00 O ATOM 1466 CB SER A 632 -2.739 -8.930 -16.018 1.00 0.00 C ATOM 1467 OG SER A 632 -1.408 -9.335 -16.323 1.00 0.00 O ATOM 0 H SER A 632 -1.363 -8.794 -13.343 1.00 0.00 H new ATOM 0 HA SER A 632 -4.083 -8.748 -14.368 1.00 0.00 H new ATOM 0 HB2 SER A 632 -3.441 -9.518 -16.609 1.00 0.00 H new ATOM 0 HB3 SER A 632 -2.875 -7.887 -16.305 1.00 0.00 H new ATOM 0 HG SER A 632 -1.243 -10.226 -15.949 1.00 0.00 H new ATOM 1473 N GLY A 633 -3.590 -10.884 -13.003 1.00 0.00 N ATOM 1474 CA GLY A 633 -3.579 -12.246 -12.498 1.00 0.00 C ATOM 1475 C GLY A 633 -2.179 -12.856 -12.596 1.00 0.00 C ATOM 1476 O GLY A 633 -2.006 -14.057 -12.392 1.00 0.00 O ATOM 0 H GLY A 633 -4.109 -10.220 -12.428 1.00 0.00 H new ATOM 0 HA2 GLY A 633 -3.912 -12.255 -11.460 1.00 0.00 H new ATOM 0 HA3 GLY A 633 -4.285 -12.853 -13.065 1.00 0.00 H new TER 1480 GLY A 633