USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 554 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 NoAdj-H: A 596 HIS HD1 : A 596 HIS ND1 : A 701 ZNZN :(H bumps) USER MOD Set 1.1: A 586 ASN : amide:sc= 0.551 K(o=1.3,f=-5.2!) USER MOD Set 1.2: A 598 THR OG1 : rot 170:sc= 0.741 USER MOD Single : A 535 SER OG : rot 180:sc= 0 USER MOD Single : A 538 SER OG : rot 180:sc= 0 USER MOD Single : A 541 SER OG : rot 180:sc= -0.0201 USER MOD Single : A 542 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 549 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 550 TYR OH : rot 180:sc= 0 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 SER OG : rot -71:sc= 1.1 USER MOD Single : A 558 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 560 MET CE :methyl 173:sc= -0.751 (180deg=-0.791) USER MOD Single : A 563 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 570 THR OG1 : rot 180:sc= 0 USER MOD Single : A 572 THR OG1 : rot 180:sc= 0 USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 585 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 THR OG1 : rot 63:sc= 0.595 USER MOD Single : A 591 ASN : amide:sc= -0.0143 X(o=-0.014,f=-0.0015) USER MOD Single : A 593 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00243) USER MOD Single : A 594 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 SER OG : rot -160:sc= 0 USER MOD Single : A 600 TYR OH : rot 180:sc= 0 USER MOD Single : A 601 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 603 THR OG1 : rot 55:sc= 1.14 USER MOD Single : A 604 SER OG : rot 180:sc=-0.00382 USER MOD Single : A 605 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 606 ASN : amide:sc= -0.0077 X(o=-0.0077,f=-0.2) USER MOD Single : A 607 SER OG : rot 180:sc= 0 USER MOD Single : A 608 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 533 34.184 -3.709 -10.219 1.00 0.00 N ATOM 2 CA GLY A 533 33.523 -2.601 -9.497 1.00 0.00 C ATOM 3 C GLY A 533 32.125 -2.347 -10.040 1.00 0.00 C ATOM 4 O GLY A 533 31.397 -3.291 -10.351 1.00 0.00 O ATOM 0 HA2 GLY A 533 33.466 -2.839 -8.435 1.00 0.00 H new ATOM 0 HA3 GLY A 533 34.122 -1.695 -9.589 1.00 0.00 H new ATOM 10 N GLY A 534 31.736 -1.074 -10.161 1.00 0.00 N ATOM 11 CA GLY A 534 30.436 -0.646 -10.701 1.00 0.00 C ATOM 12 C GLY A 534 30.294 0.880 -10.811 1.00 0.00 C ATOM 13 O GLY A 534 31.091 1.635 -10.245 1.00 0.00 O ATOM 0 H GLY A 534 32.328 -0.292 -9.880 1.00 0.00 H new ATOM 0 HA2 GLY A 534 30.297 -1.089 -11.687 1.00 0.00 H new ATOM 0 HA3 GLY A 534 29.641 -1.033 -10.063 1.00 0.00 H new ATOM 17 N SER A 535 29.279 1.334 -11.552 1.00 0.00 N ATOM 18 CA SER A 535 28.926 2.754 -11.721 1.00 0.00 C ATOM 19 C SER A 535 28.201 3.342 -10.496 1.00 0.00 C ATOM 20 O SER A 535 27.699 2.617 -9.631 1.00 0.00 O ATOM 21 CB SER A 535 28.077 2.925 -12.989 1.00 0.00 C ATOM 22 OG SER A 535 26.868 2.183 -12.911 1.00 0.00 O ATOM 0 H SER A 535 28.660 0.709 -12.068 1.00 0.00 H new ATOM 0 HA SER A 535 29.856 3.313 -11.821 1.00 0.00 H new ATOM 0 HB2 SER A 535 27.848 3.981 -13.135 1.00 0.00 H new ATOM 0 HB3 SER A 535 28.649 2.600 -13.858 1.00 0.00 H new ATOM 0 HG SER A 535 26.350 2.314 -13.732 1.00 0.00 H new ATOM 28 N GLU A 536 28.132 4.676 -10.417 1.00 0.00 N ATOM 29 CA GLU A 536 27.362 5.403 -9.395 1.00 0.00 C ATOM 30 C GLU A 536 25.847 5.331 -9.681 1.00 0.00 C ATOM 31 O GLU A 536 25.294 6.147 -10.426 1.00 0.00 O ATOM 32 CB GLU A 536 27.835 6.866 -9.300 1.00 0.00 C ATOM 33 CG GLU A 536 29.275 6.997 -8.774 1.00 0.00 C ATOM 34 CD GLU A 536 29.761 8.463 -8.675 1.00 0.00 C ATOM 35 OE1 GLU A 536 30.968 8.717 -8.912 1.00 0.00 O ATOM 36 OE2 GLU A 536 28.969 9.376 -8.330 1.00 0.00 O ATOM 0 H GLU A 536 28.616 5.292 -11.070 1.00 0.00 H new ATOM 0 HA GLU A 536 27.540 4.922 -8.433 1.00 0.00 H new ATOM 0 HB2 GLU A 536 27.770 7.328 -10.285 1.00 0.00 H new ATOM 0 HB3 GLU A 536 27.162 7.418 -8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 536 29.338 6.534 -7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 536 29.946 6.443 -9.431 1.00 0.00 H new ATOM 43 N PHE A 537 25.170 4.346 -9.080 1.00 0.00 N ATOM 44 CA PHE A 537 23.715 4.147 -9.147 1.00 0.00 C ATOM 45 C PHE A 537 23.206 3.541 -7.825 1.00 0.00 C ATOM 46 O PHE A 537 23.833 2.624 -7.289 1.00 0.00 O ATOM 47 CB PHE A 537 23.374 3.267 -10.361 1.00 0.00 C ATOM 48 CG PHE A 537 21.922 3.347 -10.795 1.00 0.00 C ATOM 49 CD1 PHE A 537 21.529 4.301 -11.754 1.00 0.00 C ATOM 50 CD2 PHE A 537 20.959 2.482 -10.240 1.00 0.00 C ATOM 51 CE1 PHE A 537 20.184 4.391 -12.157 1.00 0.00 C ATOM 52 CE2 PHE A 537 19.614 2.575 -10.642 1.00 0.00 C ATOM 53 CZ PHE A 537 19.226 3.529 -11.599 1.00 0.00 C ATOM 0 H PHE A 537 25.636 3.639 -8.512 1.00 0.00 H new ATOM 0 HA PHE A 537 23.210 5.104 -9.279 1.00 0.00 H new ATOM 0 HB2 PHE A 537 24.009 3.559 -11.198 1.00 0.00 H new ATOM 0 HB3 PHE A 537 23.615 2.231 -10.124 1.00 0.00 H new ATOM 0 HD1 PHE A 537 22.264 4.967 -12.182 1.00 0.00 H new ATOM 0 HD2 PHE A 537 21.253 1.747 -9.505 1.00 0.00 H new ATOM 0 HE1 PHE A 537 19.889 5.122 -12.895 1.00 0.00 H new ATOM 0 HE2 PHE A 537 18.877 1.911 -10.214 1.00 0.00 H new ATOM 0 HZ PHE A 537 18.193 3.599 -11.905 1.00 0.00 H new ATOM 63 N SER A 538 22.101 4.065 -7.278 1.00 0.00 N ATOM 64 CA SER A 538 21.642 3.769 -5.909 1.00 0.00 C ATOM 65 C SER A 538 20.874 2.444 -5.746 1.00 0.00 C ATOM 66 O SER A 538 21.436 1.446 -5.293 1.00 0.00 O ATOM 67 CB SER A 538 20.848 4.965 -5.363 1.00 0.00 C ATOM 68 OG SER A 538 20.487 4.770 -4.005 1.00 0.00 O ATOM 0 H SER A 538 21.492 4.714 -7.777 1.00 0.00 H new ATOM 0 HA SER A 538 22.541 3.617 -5.312 1.00 0.00 H new ATOM 0 HB2 SER A 538 21.445 5.873 -5.456 1.00 0.00 H new ATOM 0 HB3 SER A 538 19.950 5.111 -5.963 1.00 0.00 H new ATOM 0 HG SER A 538 19.984 5.548 -3.685 1.00 0.00 H new ATOM 74 N ASP A 539 19.576 2.426 -6.066 1.00 0.00 N ATOM 75 CA ASP A 539 18.665 1.309 -5.789 1.00 0.00 C ATOM 76 C ASP A 539 18.778 0.170 -6.823 1.00 0.00 C ATOM 77 O ASP A 539 19.161 0.398 -7.975 1.00 0.00 O ATOM 78 CB ASP A 539 17.219 1.823 -5.665 1.00 0.00 C ATOM 79 CG ASP A 539 16.627 2.433 -6.952 1.00 0.00 C ATOM 80 OD1 ASP A 539 15.564 1.935 -7.402 1.00 0.00 O ATOM 81 OD2 ASP A 539 17.173 3.433 -7.480 1.00 0.00 O ATOM 0 H ASP A 539 19.118 3.207 -6.536 1.00 0.00 H new ATOM 0 HA ASP A 539 18.965 0.873 -4.836 1.00 0.00 H new ATOM 0 HB2 ASP A 539 16.583 0.997 -5.347 1.00 0.00 H new ATOM 0 HB3 ASP A 539 17.184 2.574 -4.876 1.00 0.00 H new ATOM 86 N ARG A 540 18.443 -1.067 -6.410 1.00 0.00 N ATOM 87 CA ARG A 540 18.558 -2.297 -7.231 1.00 0.00 C ATOM 88 C ARG A 540 19.960 -2.453 -7.862 1.00 0.00 C ATOM 89 O ARG A 540 20.111 -2.805 -9.034 1.00 0.00 O ATOM 90 CB ARG A 540 17.392 -2.409 -8.245 1.00 0.00 C ATOM 91 CG ARG A 540 16.006 -2.655 -7.613 1.00 0.00 C ATOM 92 CD ARG A 540 15.279 -1.379 -7.168 1.00 0.00 C ATOM 93 NE ARG A 540 13.991 -1.675 -6.512 1.00 0.00 N ATOM 94 CZ ARG A 540 13.126 -0.777 -6.071 1.00 0.00 C ATOM 95 NH1 ARG A 540 13.313 0.504 -6.224 1.00 0.00 N ATOM 96 NH2 ARG A 540 12.041 -1.152 -5.457 1.00 0.00 N ATOM 0 H ARG A 540 18.076 -1.248 -5.476 1.00 0.00 H new ATOM 0 HA ARG A 540 18.457 -3.154 -6.565 1.00 0.00 H new ATOM 0 HB2 ARG A 540 17.350 -1.492 -8.832 1.00 0.00 H new ATOM 0 HB3 ARG A 540 17.609 -3.222 -8.938 1.00 0.00 H new ATOM 0 HG2 ARG A 540 15.380 -3.183 -8.332 1.00 0.00 H new ATOM 0 HG3 ARG A 540 16.124 -3.311 -6.751 1.00 0.00 H new ATOM 0 HD2 ARG A 540 15.915 -0.820 -6.481 1.00 0.00 H new ATOM 0 HD3 ARG A 540 15.106 -0.740 -8.034 1.00 0.00 H new ATOM 0 HE ARG A 540 13.746 -2.657 -6.388 1.00 0.00 H new ATOM 0 HH11 ARG A 540 14.150 0.844 -6.698 1.00 0.00 H new ATOM 0 HH12 ARG A 540 12.623 1.166 -5.870 1.00 0.00 H new ATOM 0 HH21 ARG A 540 11.853 -2.144 -5.313 1.00 0.00 H new ATOM 0 HH22 ARG A 540 11.379 -0.454 -5.120 1.00 0.00 H new ATOM 110 N SER A 541 20.987 -2.162 -7.061 1.00 0.00 N ATOM 111 CA SER A 541 22.409 -2.124 -7.430 1.00 0.00 C ATOM 112 C SER A 541 23.300 -2.565 -6.257 1.00 0.00 C ATOM 113 O SER A 541 22.862 -2.584 -5.101 1.00 0.00 O ATOM 114 CB SER A 541 22.768 -0.706 -7.897 1.00 0.00 C ATOM 115 OG SER A 541 24.133 -0.612 -8.269 1.00 0.00 O ATOM 0 H SER A 541 20.843 -1.932 -6.078 1.00 0.00 H new ATOM 0 HA SER A 541 22.586 -2.826 -8.245 1.00 0.00 H new ATOM 0 HB2 SER A 541 22.139 -0.430 -8.744 1.00 0.00 H new ATOM 0 HB3 SER A 541 22.557 0.006 -7.099 1.00 0.00 H new ATOM 0 HG SER A 541 24.330 0.302 -8.563 1.00 0.00 H new ATOM 121 N ASN A 542 24.567 -2.896 -6.527 1.00 0.00 N ATOM 122 CA ASN A 542 25.545 -3.306 -5.508 1.00 0.00 C ATOM 123 C ASN A 542 25.797 -2.229 -4.434 1.00 0.00 C ATOM 124 O ASN A 542 26.129 -2.560 -3.298 1.00 0.00 O ATOM 125 CB ASN A 542 26.857 -3.711 -6.201 1.00 0.00 C ATOM 126 CG ASN A 542 26.695 -4.917 -7.112 1.00 0.00 C ATOM 127 OD1 ASN A 542 26.204 -5.964 -6.717 1.00 0.00 O ATOM 128 ND2 ASN A 542 27.102 -4.822 -8.359 1.00 0.00 N ATOM 0 H ASN A 542 24.950 -2.887 -7.472 1.00 0.00 H new ATOM 0 HA ASN A 542 25.125 -4.159 -4.974 1.00 0.00 H new ATOM 0 HB2 ASN A 542 27.229 -2.869 -6.784 1.00 0.00 H new ATOM 0 HB3 ASN A 542 27.609 -3.932 -5.444 1.00 0.00 H new ATOM 0 HD21 ASN A 542 27.007 -5.619 -8.989 1.00 0.00 H new ATOM 0 HD22 ASN A 542 27.513 -3.952 -8.696 1.00 0.00 H new ATOM 135 N GLU A 543 25.583 -0.949 -4.755 1.00 0.00 N ATOM 136 CA GLU A 543 25.648 0.167 -3.796 1.00 0.00 C ATOM 137 C GLU A 543 24.659 0.013 -2.621 1.00 0.00 C ATOM 138 O GLU A 543 24.991 0.366 -1.489 1.00 0.00 O ATOM 139 CB GLU A 543 25.375 1.467 -4.571 1.00 0.00 C ATOM 140 CG GLU A 543 25.367 2.759 -3.739 1.00 0.00 C ATOM 141 CD GLU A 543 26.652 3.006 -2.917 1.00 0.00 C ATOM 142 OE1 GLU A 543 27.775 2.705 -3.388 1.00 0.00 O ATOM 143 OE2 GLU A 543 26.539 3.555 -1.795 1.00 0.00 O ATOM 0 H GLU A 543 25.356 -0.651 -5.704 1.00 0.00 H new ATOM 0 HA GLU A 543 26.639 0.181 -3.343 1.00 0.00 H new ATOM 0 HB2 GLU A 543 26.129 1.566 -5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 543 24.410 1.374 -5.069 1.00 0.00 H new ATOM 0 HG2 GLU A 543 25.212 3.605 -4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 543 24.516 2.731 -3.058 1.00 0.00 H new ATOM 150 N LEU A 544 23.472 -0.555 -2.869 1.00 0.00 N ATOM 151 CA LEU A 544 22.498 -0.907 -1.831 1.00 0.00 C ATOM 152 C LEU A 544 22.927 -2.181 -1.084 1.00 0.00 C ATOM 153 O LEU A 544 22.852 -2.241 0.143 1.00 0.00 O ATOM 154 CB LEU A 544 21.107 -1.032 -2.496 1.00 0.00 C ATOM 155 CG LEU A 544 19.937 -1.332 -1.531 1.00 0.00 C ATOM 156 CD1 LEU A 544 18.636 -0.751 -2.092 1.00 0.00 C ATOM 157 CD2 LEU A 544 19.696 -2.834 -1.337 1.00 0.00 C ATOM 0 H LEU A 544 23.158 -0.786 -3.811 1.00 0.00 H new ATOM 0 HA LEU A 544 22.447 -0.127 -1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 544 20.891 -0.104 -3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 544 21.150 -1.823 -3.245 1.00 0.00 H new ATOM 0 HG LEU A 544 20.213 -0.884 -0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 544 17.816 -0.966 -1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 544 18.739 0.328 -2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 544 18.425 -1.201 -3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 544 18.863 -2.983 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 544 19.460 -3.292 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 544 20.593 -3.296 -0.925 1.00 0.00 H new ATOM 169 N GLU A 545 23.387 -3.196 -1.816 1.00 0.00 N ATOM 170 CA GLU A 545 23.664 -4.534 -1.278 1.00 0.00 C ATOM 171 C GLU A 545 24.885 -4.597 -0.349 1.00 0.00 C ATOM 172 O GLU A 545 24.787 -5.157 0.744 1.00 0.00 O ATOM 173 CB GLU A 545 23.801 -5.521 -2.452 1.00 0.00 C ATOM 174 CG GLU A 545 24.023 -6.998 -2.073 1.00 0.00 C ATOM 175 CD GLU A 545 22.735 -7.711 -1.606 1.00 0.00 C ATOM 176 OE1 GLU A 545 22.270 -8.646 -2.304 1.00 0.00 O ATOM 177 OE2 GLU A 545 22.187 -7.369 -0.531 1.00 0.00 O ATOM 0 H GLU A 545 23.581 -3.114 -2.814 1.00 0.00 H new ATOM 0 HA GLU A 545 22.822 -4.811 -0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 545 22.901 -5.455 -3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 545 24.634 -5.198 -3.076 1.00 0.00 H new ATOM 0 HG2 GLU A 545 24.432 -7.529 -2.933 1.00 0.00 H new ATOM 0 HG3 GLU A 545 24.769 -7.054 -1.280 1.00 0.00 H new ATOM 184 N ILE A 546 26.024 -3.998 -0.732 1.00 0.00 N ATOM 185 CA ILE A 546 27.288 -4.086 0.031 1.00 0.00 C ATOM 186 C ILE A 546 27.129 -3.500 1.450 1.00 0.00 C ATOM 187 O ILE A 546 27.728 -4.010 2.399 1.00 0.00 O ATOM 188 CB ILE A 546 28.437 -3.399 -0.756 1.00 0.00 C ATOM 189 CG1 ILE A 546 28.769 -4.099 -2.099 1.00 0.00 C ATOM 190 CG2 ILE A 546 29.720 -3.256 0.075 1.00 0.00 C ATOM 191 CD1 ILE A 546 29.466 -5.460 -1.991 1.00 0.00 C ATOM 0 H ILE A 546 26.099 -3.437 -1.581 1.00 0.00 H new ATOM 0 HA ILE A 546 27.548 -5.137 0.154 1.00 0.00 H new ATOM 0 HB ILE A 546 28.052 -2.405 -0.982 1.00 0.00 H new ATOM 0 HG12 ILE A 546 27.842 -4.231 -2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 546 29.402 -3.434 -2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 546 30.489 -2.770 -0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 546 29.515 -2.654 0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 546 30.068 -4.243 0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 546 29.649 -5.855 -2.990 1.00 0.00 H new ATOM 0 HD12 ILE A 546 30.415 -5.342 -1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 546 28.830 -6.151 -1.438 1.00 0.00 H new ATOM 203 N ARG A 547 26.271 -2.479 1.618 1.00 0.00 N ATOM 204 CA ARG A 547 25.965 -1.860 2.925 1.00 0.00 C ATOM 205 C ARG A 547 25.152 -2.777 3.845 1.00 0.00 C ATOM 206 O ARG A 547 25.286 -2.694 5.066 1.00 0.00 O ATOM 207 CB ARG A 547 25.187 -0.551 2.715 1.00 0.00 C ATOM 208 CG ARG A 547 25.969 0.529 1.952 1.00 0.00 C ATOM 209 CD ARG A 547 25.054 1.729 1.680 1.00 0.00 C ATOM 210 NE ARG A 547 25.772 2.817 0.994 1.00 0.00 N ATOM 211 CZ ARG A 547 26.304 3.903 1.518 1.00 0.00 C ATOM 212 NH1 ARG A 547 26.302 4.146 2.797 1.00 0.00 N ATOM 213 NH2 ARG A 547 26.859 4.775 0.730 1.00 0.00 N ATOM 0 H ARG A 547 25.763 -2.053 0.843 1.00 0.00 H new ATOM 0 HA ARG A 547 26.922 -1.669 3.410 1.00 0.00 H new ATOM 0 HB2 ARG A 547 24.268 -0.771 2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 547 24.896 -0.154 3.688 1.00 0.00 H new ATOM 0 HG2 ARG A 547 26.836 0.844 2.533 1.00 0.00 H new ATOM 0 HG3 ARG A 547 26.345 0.125 1.012 1.00 0.00 H new ATOM 0 HD2 ARG A 547 24.208 1.411 1.071 1.00 0.00 H new ATOM 0 HD3 ARG A 547 24.648 2.098 2.622 1.00 0.00 H new ATOM 0 HE ARG A 547 25.870 2.717 -0.016 1.00 0.00 H new ATOM 0 HH11 ARG A 547 25.875 3.481 3.442 1.00 0.00 H new ATOM 0 HH12 ARG A 547 26.727 5.002 3.154 1.00 0.00 H new ATOM 0 HH21 ARG A 547 26.878 4.613 -0.277 1.00 0.00 H new ATOM 0 HH22 ARG A 547 27.276 5.621 1.119 1.00 0.00 H new ATOM 227 N GLY A 548 24.319 -3.643 3.262 1.00 0.00 N ATOM 228 CA GLY A 548 23.478 -4.623 3.960 1.00 0.00 C ATOM 229 C GLY A 548 24.216 -5.894 4.406 1.00 0.00 C ATOM 230 O GLY A 548 23.653 -6.689 5.163 1.00 0.00 O ATOM 0 H GLY A 548 24.206 -3.683 2.249 1.00 0.00 H new ATOM 0 HA2 GLY A 548 23.039 -4.147 4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 548 22.654 -4.907 3.305 1.00 0.00 H new ATOM 234 N LYS A 549 25.465 -6.095 3.971 1.00 0.00 N ATOM 235 CA LYS A 549 26.315 -7.229 4.361 1.00 0.00 C ATOM 236 C LYS A 549 26.865 -7.046 5.783 1.00 0.00 C ATOM 237 O LYS A 549 27.405 -5.992 6.116 1.00 0.00 O ATOM 238 CB LYS A 549 27.458 -7.418 3.347 1.00 0.00 C ATOM 239 CG LYS A 549 26.929 -7.802 1.952 1.00 0.00 C ATOM 240 CD LYS A 549 28.011 -7.833 0.866 1.00 0.00 C ATOM 241 CE LYS A 549 29.073 -8.905 1.117 1.00 0.00 C ATOM 242 NZ LYS A 549 29.909 -9.148 -0.087 1.00 0.00 N ATOM 0 H LYS A 549 25.926 -5.458 3.321 1.00 0.00 H new ATOM 0 HA LYS A 549 25.702 -8.130 4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 549 28.036 -6.497 3.275 1.00 0.00 H new ATOM 0 HB3 LYS A 549 28.136 -8.193 3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 549 26.458 -8.783 2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 549 26.154 -7.093 1.660 1.00 0.00 H new ATOM 0 HD2 LYS A 549 27.543 -8.012 -0.102 1.00 0.00 H new ATOM 0 HD3 LYS A 549 28.493 -6.857 0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 549 29.711 -8.598 1.946 1.00 0.00 H new ATOM 0 HE3 LYS A 549 28.588 -9.834 1.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 549 30.616 -9.881 0.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 549 29.304 -9.466 -0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 549 30.392 -8.268 -0.357 1.00 0.00 H new ATOM 256 N TYR A 550 26.767 -8.091 6.601 1.00 0.00 N ATOM 257 CA TYR A 550 27.300 -8.150 7.965 1.00 0.00 C ATOM 258 C TYR A 550 27.615 -9.591 8.380 1.00 0.00 C ATOM 259 O TYR A 550 27.161 -10.547 7.746 1.00 0.00 O ATOM 260 CB TYR A 550 26.326 -7.499 8.968 1.00 0.00 C ATOM 261 CG TYR A 550 24.898 -8.015 8.953 1.00 0.00 C ATOM 262 CD1 TYR A 550 23.885 -7.269 8.321 1.00 0.00 C ATOM 263 CD2 TYR A 550 24.576 -9.237 9.576 1.00 0.00 C ATOM 264 CE1 TYR A 550 22.557 -7.736 8.300 1.00 0.00 C ATOM 265 CE2 TYR A 550 23.254 -9.717 9.548 1.00 0.00 C ATOM 266 CZ TYR A 550 22.242 -8.974 8.905 1.00 0.00 C ATOM 267 OH TYR A 550 20.974 -9.464 8.868 1.00 0.00 O ATOM 0 H TYR A 550 26.297 -8.953 6.325 1.00 0.00 H new ATOM 0 HA TYR A 550 28.232 -7.586 7.976 1.00 0.00 H new ATOM 0 HB2 TYR A 550 26.728 -7.635 9.972 1.00 0.00 H new ATOM 0 HB3 TYR A 550 26.304 -6.426 8.776 1.00 0.00 H new ATOM 0 HD1 TYR A 550 24.129 -6.329 7.848 1.00 0.00 H new ATOM 0 HD2 TYR A 550 25.346 -9.806 10.076 1.00 0.00 H new ATOM 0 HE1 TYR A 550 21.783 -7.152 7.824 1.00 0.00 H new ATOM 0 HE2 TYR A 550 23.013 -10.658 10.021 1.00 0.00 H new ATOM 0 HH TYR A 550 20.943 -10.326 9.333 1.00 0.00 H new ATOM 277 N VAL A 551 28.357 -9.742 9.482 1.00 0.00 N ATOM 278 CA VAL A 551 28.695 -11.037 10.101 1.00 0.00 C ATOM 279 C VAL A 551 28.408 -11.003 11.608 1.00 0.00 C ATOM 280 O VAL A 551 28.738 -10.030 12.280 1.00 0.00 O ATOM 281 CB VAL A 551 30.153 -11.469 9.802 1.00 0.00 C ATOM 282 CG1 VAL A 551 30.215 -12.199 8.462 1.00 0.00 C ATOM 283 CG2 VAL A 551 31.183 -10.334 9.752 1.00 0.00 C ATOM 0 H VAL A 551 28.752 -8.948 9.985 1.00 0.00 H new ATOM 0 HA VAL A 551 28.055 -11.795 9.650 1.00 0.00 H new ATOM 0 HB VAL A 551 30.422 -12.105 10.645 1.00 0.00 H new ATOM 0 HG11 VAL A 551 31.243 -12.500 8.259 1.00 0.00 H new ATOM 0 HG12 VAL A 551 29.579 -13.083 8.500 1.00 0.00 H new ATOM 0 HG13 VAL A 551 29.867 -11.536 7.670 1.00 0.00 H new ATOM 0 HG21 VAL A 551 32.169 -10.746 9.536 1.00 0.00 H new ATOM 0 HG22 VAL A 551 30.907 -9.626 8.970 1.00 0.00 H new ATOM 0 HG23 VAL A 551 31.207 -9.821 10.714 1.00 0.00 H new ATOM 293 N VAL A 552 27.753 -12.043 12.132 1.00 0.00 N ATOM 294 CA VAL A 552 27.365 -12.148 13.552 1.00 0.00 C ATOM 295 C VAL A 552 28.611 -12.203 14.444 1.00 0.00 C ATOM 296 O VAL A 552 29.542 -12.953 14.153 1.00 0.00 O ATOM 297 CB VAL A 552 26.447 -13.364 13.779 1.00 0.00 C ATOM 298 CG1 VAL A 552 26.153 -13.660 15.259 1.00 0.00 C ATOM 299 CG2 VAL A 552 25.097 -13.163 13.077 1.00 0.00 C ATOM 0 H VAL A 552 27.470 -12.851 11.577 1.00 0.00 H new ATOM 0 HA VAL A 552 26.799 -11.258 13.827 1.00 0.00 H new ATOM 0 HB VAL A 552 26.998 -14.208 13.364 1.00 0.00 H new ATOM 0 HG11 VAL A 552 25.501 -14.530 15.333 1.00 0.00 H new ATOM 0 HG12 VAL A 552 27.088 -13.862 15.782 1.00 0.00 H new ATOM 0 HG13 VAL A 552 25.662 -12.799 15.712 1.00 0.00 H new ATOM 0 HG21 VAL A 552 24.464 -14.033 13.250 1.00 0.00 H new ATOM 0 HG22 VAL A 552 24.608 -12.274 13.476 1.00 0.00 H new ATOM 0 HG23 VAL A 552 25.259 -13.039 12.006 1.00 0.00 H new ATOM 309 N VAL A 553 28.619 -11.431 15.532 1.00 0.00 N ATOM 310 CA VAL A 553 29.683 -11.478 16.547 1.00 0.00 C ATOM 311 C VAL A 553 29.577 -12.797 17.343 1.00 0.00 C ATOM 312 O VAL A 553 28.558 -13.004 18.015 1.00 0.00 O ATOM 313 CB VAL A 553 29.624 -10.278 17.521 1.00 0.00 C ATOM 314 CG1 VAL A 553 30.794 -10.396 18.507 1.00 0.00 C ATOM 315 CG2 VAL A 553 29.740 -8.905 16.874 1.00 0.00 C ATOM 0 H VAL A 553 27.887 -10.752 15.738 1.00 0.00 H new ATOM 0 HA VAL A 553 30.638 -11.425 16.023 1.00 0.00 H new ATOM 0 HB VAL A 553 28.639 -10.333 17.984 1.00 0.00 H new ATOM 0 HG11 VAL A 553 30.769 -9.557 19.203 1.00 0.00 H new ATOM 0 HG12 VAL A 553 30.710 -11.331 19.062 1.00 0.00 H new ATOM 0 HG13 VAL A 553 31.735 -10.384 17.958 1.00 0.00 H new ATOM 0 HG21 VAL A 553 29.687 -8.135 17.643 1.00 0.00 H new ATOM 0 HG22 VAL A 553 30.692 -8.829 16.349 1.00 0.00 H new ATOM 0 HG23 VAL A 553 28.924 -8.767 16.165 1.00 0.00 H new ATOM 325 N PRO A 554 30.575 -13.700 17.292 1.00 0.00 N ATOM 326 CA PRO A 554 30.553 -14.966 18.013 1.00 0.00 C ATOM 327 C PRO A 554 31.016 -14.797 19.465 1.00 0.00 C ATOM 328 O PRO A 554 31.840 -13.937 19.789 1.00 0.00 O ATOM 329 CB PRO A 554 31.505 -15.870 17.238 1.00 0.00 C ATOM 330 CG PRO A 554 32.582 -14.907 16.753 1.00 0.00 C ATOM 331 CD PRO A 554 31.815 -13.597 16.543 1.00 0.00 C ATOM 0 HA PRO A 554 29.546 -15.379 18.073 1.00 0.00 H new ATOM 0 HB2 PRO A 554 31.921 -16.654 17.871 1.00 0.00 H new ATOM 0 HB3 PRO A 554 31.003 -16.365 16.406 1.00 0.00 H new ATOM 0 HG2 PRO A 554 33.380 -14.793 17.487 1.00 0.00 H new ATOM 0 HG3 PRO A 554 33.046 -15.254 15.830 1.00 0.00 H new ATOM 0 HD2 PRO A 554 32.404 -12.747 16.888 1.00 0.00 H new ATOM 0 HD3 PRO A 554 31.613 -13.435 15.484 1.00 0.00 H new ATOM 339 N GLU A 555 30.574 -15.694 20.347 1.00 0.00 N ATOM 340 CA GLU A 555 31.022 -15.736 21.747 1.00 0.00 C ATOM 341 C GLU A 555 32.520 -16.062 21.881 1.00 0.00 C ATOM 342 O GLU A 555 33.154 -15.689 22.872 1.00 0.00 O ATOM 343 CB GLU A 555 30.150 -16.726 22.545 1.00 0.00 C ATOM 344 CG GLU A 555 30.251 -18.217 22.170 1.00 0.00 C ATOM 345 CD GLU A 555 29.199 -18.663 21.136 1.00 0.00 C ATOM 346 OE1 GLU A 555 29.215 -18.184 19.978 1.00 0.00 O ATOM 347 OE2 GLU A 555 28.361 -19.533 21.472 1.00 0.00 O ATOM 0 H GLU A 555 29.893 -16.416 20.114 1.00 0.00 H new ATOM 0 HA GLU A 555 30.897 -14.738 22.167 1.00 0.00 H new ATOM 0 HB2 GLU A 555 30.405 -16.625 23.600 1.00 0.00 H new ATOM 0 HB3 GLU A 555 29.109 -16.421 22.438 1.00 0.00 H new ATOM 0 HG2 GLU A 555 31.246 -18.417 21.773 1.00 0.00 H new ATOM 0 HG3 GLU A 555 30.140 -18.819 23.072 1.00 0.00 H new ATOM 354 N THR A 556 33.112 -16.697 20.863 1.00 0.00 N ATOM 355 CA THR A 556 34.548 -17.012 20.781 1.00 0.00 C ATOM 356 C THR A 556 35.423 -15.773 20.535 1.00 0.00 C ATOM 357 O THR A 556 36.628 -15.831 20.788 1.00 0.00 O ATOM 358 CB THR A 556 34.813 -18.055 19.683 1.00 0.00 C ATOM 359 OG1 THR A 556 34.382 -17.583 18.414 1.00 0.00 O ATOM 360 CG2 THR A 556 34.076 -19.373 19.945 1.00 0.00 C ATOM 0 H THR A 556 32.591 -17.017 20.047 1.00 0.00 H new ATOM 0 HA THR A 556 34.825 -17.418 21.754 1.00 0.00 H new ATOM 0 HB THR A 556 35.890 -18.225 19.692 1.00 0.00 H new ATOM 0 HG1 THR A 556 34.563 -18.264 17.733 1.00 0.00 H new ATOM 0 HG21 THR A 556 34.294 -20.078 19.143 1.00 0.00 H new ATOM 0 HG22 THR A 556 34.406 -19.792 20.896 1.00 0.00 H new ATOM 0 HG23 THR A 556 33.002 -19.188 19.983 1.00 0.00 H new ATOM 368 N SER A 557 34.853 -14.647 20.070 1.00 0.00 N ATOM 369 CA SER A 557 35.606 -13.385 19.892 1.00 0.00 C ATOM 370 C SER A 557 35.909 -12.699 21.228 1.00 0.00 C ATOM 371 O SER A 557 36.985 -12.119 21.387 1.00 0.00 O ATOM 372 CB SER A 557 34.861 -12.413 18.964 1.00 0.00 C ATOM 373 OG SER A 557 33.711 -11.865 19.571 1.00 0.00 O ATOM 0 H SER A 557 33.869 -14.582 19.809 1.00 0.00 H new ATOM 0 HA SER A 557 36.555 -13.657 19.429 1.00 0.00 H new ATOM 0 HB2 SER A 557 35.534 -11.607 18.672 1.00 0.00 H new ATOM 0 HB3 SER A 557 34.573 -12.935 18.051 1.00 0.00 H new ATOM 0 HG SER A 557 33.022 -12.557 19.650 1.00 0.00 H new ATOM 379 N GLN A 558 34.980 -12.789 22.193 1.00 0.00 N ATOM 380 CA GLN A 558 34.959 -12.200 23.545 1.00 0.00 C ATOM 381 C GLN A 558 35.027 -10.657 23.613 1.00 0.00 C ATOM 382 O GLN A 558 34.193 -10.033 24.275 1.00 0.00 O ATOM 383 CB GLN A 558 35.998 -12.905 24.433 1.00 0.00 C ATOM 384 CG GLN A 558 35.858 -12.539 25.924 1.00 0.00 C ATOM 385 CD GLN A 558 36.719 -13.416 26.836 1.00 0.00 C ATOM 386 OE1 GLN A 558 37.571 -14.189 26.414 1.00 0.00 O ATOM 387 NE2 GLN A 558 36.534 -13.337 28.135 1.00 0.00 N ATOM 0 H GLN A 558 34.134 -13.334 22.029 1.00 0.00 H new ATOM 0 HA GLN A 558 33.963 -12.390 23.946 1.00 0.00 H new ATOM 0 HB2 GLN A 558 35.895 -13.984 24.317 1.00 0.00 H new ATOM 0 HB3 GLN A 558 36.999 -12.642 24.092 1.00 0.00 H new ATOM 0 HG2 GLN A 558 36.137 -11.495 26.064 1.00 0.00 H new ATOM 0 HG3 GLN A 558 34.813 -12.633 26.219 1.00 0.00 H new ATOM 0 HE21 GLN A 558 35.831 -12.701 28.512 1.00 0.00 H new ATOM 0 HE22 GLN A 558 37.093 -13.911 28.766 1.00 0.00 H new ATOM 396 N ASP A 559 35.969 -10.033 22.907 1.00 0.00 N ATOM 397 CA ASP A 559 36.148 -8.576 22.818 1.00 0.00 C ATOM 398 C ASP A 559 35.186 -7.887 21.824 1.00 0.00 C ATOM 399 O ASP A 559 35.100 -6.659 21.803 1.00 0.00 O ATOM 400 CB ASP A 559 37.612 -8.260 22.447 1.00 0.00 C ATOM 401 CG ASP A 559 38.670 -8.764 23.454 1.00 0.00 C ATOM 402 OD1 ASP A 559 39.846 -8.920 23.044 1.00 0.00 O ATOM 403 OD2 ASP A 559 38.367 -8.966 24.655 1.00 0.00 O ATOM 0 H ASP A 559 36.659 -10.545 22.357 1.00 0.00 H new ATOM 0 HA ASP A 559 35.904 -8.170 23.800 1.00 0.00 H new ATOM 0 HB2 ASP A 559 37.825 -8.697 21.471 1.00 0.00 H new ATOM 0 HB3 ASP A 559 37.719 -7.180 22.343 1.00 0.00 H new ATOM 408 N MET A 560 34.466 -8.657 20.991 1.00 0.00 N ATOM 409 CA MET A 560 33.514 -8.174 19.972 1.00 0.00 C ATOM 410 C MET A 560 34.124 -7.209 18.931 1.00 0.00 C ATOM 411 O MET A 560 33.418 -6.382 18.350 1.00 0.00 O ATOM 412 CB MET A 560 32.227 -7.615 20.620 1.00 0.00 C ATOM 413 CG MET A 560 31.607 -8.589 21.629 1.00 0.00 C ATOM 414 SD MET A 560 30.023 -8.060 22.332 1.00 0.00 S ATOM 415 CE MET A 560 28.919 -8.486 20.959 1.00 0.00 C ATOM 0 H MET A 560 34.533 -9.675 21.008 1.00 0.00 H new ATOM 0 HA MET A 560 33.238 -9.053 19.390 1.00 0.00 H new ATOM 0 HB2 MET A 560 32.455 -6.674 21.121 1.00 0.00 H new ATOM 0 HB3 MET A 560 31.499 -7.392 19.840 1.00 0.00 H new ATOM 0 HG2 MET A 560 31.466 -9.553 21.141 1.00 0.00 H new ATOM 0 HG3 MET A 560 32.315 -8.744 22.443 1.00 0.00 H new ATOM 0 HE1 MET A 560 27.883 -8.342 21.267 1.00 0.00 H new ATOM 0 HE2 MET A 560 29.136 -7.844 20.105 1.00 0.00 H new ATOM 0 HE3 MET A 560 29.073 -9.528 20.678 1.00 0.00 H new ATOM 425 N ALA A 561 35.433 -7.318 18.669 1.00 0.00 N ATOM 426 CA ALA A 561 36.172 -6.423 17.788 1.00 0.00 C ATOM 427 C ALA A 561 37.301 -7.125 17.005 1.00 0.00 C ATOM 428 O ALA A 561 37.946 -8.051 17.506 1.00 0.00 O ATOM 429 CB ALA A 561 36.706 -5.251 18.624 1.00 0.00 C ATOM 0 H ALA A 561 36.015 -8.050 19.076 1.00 0.00 H new ATOM 0 HA ALA A 561 35.488 -6.058 17.022 1.00 0.00 H new ATOM 0 HB1 ALA A 561 37.263 -4.569 17.981 1.00 0.00 H new ATOM 0 HB2 ALA A 561 35.871 -4.719 19.080 1.00 0.00 H new ATOM 0 HB3 ALA A 561 37.364 -5.631 19.405 1.00 0.00 H new ATOM 435 N PHE A 562 37.552 -6.636 15.786 1.00 0.00 N ATOM 436 CA PHE A 562 38.628 -7.048 14.869 1.00 0.00 C ATOM 437 C PHE A 562 39.062 -5.863 13.990 1.00 0.00 C ATOM 438 O PHE A 562 38.351 -4.861 13.921 1.00 0.00 O ATOM 439 CB PHE A 562 38.180 -8.235 13.993 1.00 0.00 C ATOM 440 CG PHE A 562 38.156 -9.588 14.686 1.00 0.00 C ATOM 441 CD1 PHE A 562 39.353 -10.150 15.173 1.00 0.00 C ATOM 442 CD2 PHE A 562 36.963 -10.325 14.776 1.00 0.00 C ATOM 443 CE1 PHE A 562 39.350 -11.418 15.787 1.00 0.00 C ATOM 444 CE2 PHE A 562 36.967 -11.609 15.358 1.00 0.00 C ATOM 445 CZ PHE A 562 38.153 -12.145 15.879 1.00 0.00 C ATOM 0 H PHE A 562 36.975 -5.896 15.386 1.00 0.00 H new ATOM 0 HA PHE A 562 39.481 -7.372 15.466 1.00 0.00 H new ATOM 0 HB2 PHE A 562 37.181 -8.025 13.610 1.00 0.00 H new ATOM 0 HB3 PHE A 562 38.845 -8.299 13.132 1.00 0.00 H new ATOM 0 HD1 PHE A 562 40.280 -9.604 15.075 1.00 0.00 H new ATOM 0 HD2 PHE A 562 36.041 -9.907 14.399 1.00 0.00 H new ATOM 0 HE1 PHE A 562 40.266 -11.829 16.186 1.00 0.00 H new ATOM 0 HE2 PHE A 562 36.053 -12.182 15.403 1.00 0.00 H new ATOM 0 HZ PHE A 562 38.146 -13.116 16.351 1.00 0.00 H new ATOM 455 N LYS A 563 40.221 -5.951 13.315 1.00 0.00 N ATOM 456 CA LYS A 563 40.782 -4.875 12.471 1.00 0.00 C ATOM 457 C LYS A 563 40.830 -5.249 10.985 1.00 0.00 C ATOM 458 O LYS A 563 41.347 -6.308 10.628 1.00 0.00 O ATOM 459 CB LYS A 563 42.172 -4.499 13.005 1.00 0.00 C ATOM 460 CG LYS A 563 42.715 -3.189 12.401 1.00 0.00 C ATOM 461 CD LYS A 563 44.174 -2.908 12.789 1.00 0.00 C ATOM 462 CE LYS A 563 44.381 -2.769 14.305 1.00 0.00 C ATOM 463 NZ LYS A 563 45.801 -2.474 14.638 1.00 0.00 N ATOM 0 H LYS A 563 40.807 -6.786 13.339 1.00 0.00 H new ATOM 0 HA LYS A 563 40.120 -4.011 12.531 1.00 0.00 H new ATOM 0 HB2 LYS A 563 42.124 -4.400 14.089 1.00 0.00 H new ATOM 0 HB3 LYS A 563 42.869 -5.309 12.789 1.00 0.00 H new ATOM 0 HG2 LYS A 563 42.637 -3.236 11.315 1.00 0.00 H new ATOM 0 HG3 LYS A 563 42.091 -2.358 12.730 1.00 0.00 H new ATOM 0 HD2 LYS A 563 44.804 -3.715 12.415 1.00 0.00 H new ATOM 0 HD3 LYS A 563 44.504 -1.992 12.298 1.00 0.00 H new ATOM 0 HE2 LYS A 563 43.743 -1.972 14.689 1.00 0.00 H new ATOM 0 HE3 LYS A 563 44.074 -3.690 14.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 45.905 -2.387 15.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 46.406 -3.246 14.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 46.086 -1.582 14.185 1.00 0.00 H new ATOM 477 N CYS A 564 40.354 -4.342 10.131 1.00 0.00 N ATOM 478 CA CYS A 564 40.504 -4.360 8.681 1.00 0.00 C ATOM 479 C CYS A 564 41.986 -4.154 8.308 1.00 0.00 C ATOM 480 O CYS A 564 42.479 -3.049 8.544 1.00 0.00 O ATOM 481 CB CYS A 564 39.668 -3.201 8.110 1.00 0.00 C ATOM 482 SG CYS A 564 39.450 -3.381 6.303 1.00 0.00 S ATOM 0 H CYS A 564 39.825 -3.532 10.453 1.00 0.00 H new ATOM 0 HA CYS A 564 40.170 -5.315 8.276 1.00 0.00 H new ATOM 0 HB2 CYS A 564 38.693 -3.176 8.597 1.00 0.00 H new ATOM 0 HB3 CYS A 564 40.158 -2.252 8.328 1.00 0.00 H new ATOM 487 N PRO A 565 42.714 -5.131 7.738 1.00 0.00 N ATOM 488 CA PRO A 565 44.101 -4.931 7.308 1.00 0.00 C ATOM 489 C PRO A 565 44.224 -4.010 6.080 1.00 0.00 C ATOM 490 O PRO A 565 45.304 -3.467 5.834 1.00 0.00 O ATOM 491 CB PRO A 565 44.626 -6.340 7.015 1.00 0.00 C ATOM 492 CG PRO A 565 43.376 -7.096 6.570 1.00 0.00 C ATOM 493 CD PRO A 565 42.274 -6.484 7.429 1.00 0.00 C ATOM 0 HA PRO A 565 44.681 -4.423 8.079 1.00 0.00 H new ATOM 0 HB2 PRO A 565 45.389 -6.331 6.237 1.00 0.00 H new ATOM 0 HB3 PRO A 565 45.077 -6.793 7.898 1.00 0.00 H new ATOM 0 HG2 PRO A 565 43.180 -6.959 5.506 1.00 0.00 H new ATOM 0 HG3 PRO A 565 43.472 -8.168 6.741 1.00 0.00 H new ATOM 0 HD2 PRO A 565 41.323 -6.473 6.896 1.00 0.00 H new ATOM 0 HD3 PRO A 565 42.122 -7.063 8.340 1.00 0.00 H new ATOM 501 N ILE A 566 43.134 -3.814 5.318 1.00 0.00 N ATOM 502 CA ILE A 566 43.110 -3.033 4.065 1.00 0.00 C ATOM 503 C ILE A 566 43.268 -1.531 4.350 1.00 0.00 C ATOM 504 O ILE A 566 44.130 -0.880 3.750 1.00 0.00 O ATOM 505 CB ILE A 566 41.807 -3.320 3.281 1.00 0.00 C ATOM 506 CG1 ILE A 566 41.670 -4.820 2.907 1.00 0.00 C ATOM 507 CG2 ILE A 566 41.724 -2.459 2.007 1.00 0.00 C ATOM 508 CD1 ILE A 566 40.213 -5.251 2.684 1.00 0.00 C ATOM 0 H ILE A 566 42.223 -4.203 5.560 1.00 0.00 H new ATOM 0 HA ILE A 566 43.955 -3.340 3.449 1.00 0.00 H new ATOM 0 HB ILE A 566 40.982 -3.058 3.943 1.00 0.00 H new ATOM 0 HG12 ILE A 566 42.244 -5.017 2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 566 42.106 -5.428 3.700 1.00 0.00 H new ATOM 0 HG21 ILE A 566 40.798 -2.682 1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 566 41.741 -1.404 2.279 1.00 0.00 H new ATOM 0 HG23 ILE A 566 42.574 -2.681 1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 566 40.182 -6.309 2.425 1.00 0.00 H new ATOM 0 HD12 ILE A 566 39.640 -5.083 3.596 1.00 0.00 H new ATOM 0 HD13 ILE A 566 39.781 -4.666 1.872 1.00 0.00 H new ATOM 520 N CYS A 567 42.468 -0.992 5.281 1.00 0.00 N ATOM 521 CA CYS A 567 42.501 0.414 5.706 1.00 0.00 C ATOM 522 C CYS A 567 43.080 0.619 7.131 1.00 0.00 C ATOM 523 O CYS A 567 43.226 1.756 7.582 1.00 0.00 O ATOM 524 CB CYS A 567 41.107 1.027 5.491 1.00 0.00 C ATOM 525 SG CYS A 567 39.891 0.455 6.713 1.00 0.00 S ATOM 0 H CYS A 567 41.760 -1.538 5.773 1.00 0.00 H new ATOM 0 HA CYS A 567 43.210 0.958 5.082 1.00 0.00 H new ATOM 0 HB2 CYS A 567 41.181 2.113 5.540 1.00 0.00 H new ATOM 0 HB3 CYS A 567 40.755 0.776 4.490 1.00 0.00 H new ATOM 530 N LYS A 568 43.436 -0.479 7.818 1.00 0.00 N ATOM 531 CA LYS A 568 43.956 -0.531 9.195 1.00 0.00 C ATOM 532 C LYS A 568 42.968 0.041 10.224 1.00 0.00 C ATOM 533 O LYS A 568 43.360 0.844 11.072 1.00 0.00 O ATOM 534 CB LYS A 568 45.398 0.027 9.269 1.00 0.00 C ATOM 535 CG LYS A 568 46.375 -0.750 8.369 1.00 0.00 C ATOM 536 CD LYS A 568 47.811 -0.223 8.501 1.00 0.00 C ATOM 537 CE LYS A 568 48.749 -1.014 7.583 1.00 0.00 C ATOM 538 NZ LYS A 568 50.151 -0.531 7.690 1.00 0.00 N ATOM 0 H LYS A 568 43.365 -1.408 7.403 1.00 0.00 H new ATOM 0 HA LYS A 568 44.044 -1.576 9.491 1.00 0.00 H new ATOM 0 HB2 LYS A 568 45.394 1.077 8.975 1.00 0.00 H new ATOM 0 HB3 LYS A 568 45.748 -0.014 10.301 1.00 0.00 H new ATOM 0 HG2 LYS A 568 46.350 -1.807 8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 568 46.053 -0.673 7.331 1.00 0.00 H new ATOM 0 HD2 LYS A 568 47.843 0.835 8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 568 48.144 -0.309 9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 568 48.707 -2.072 7.842 1.00 0.00 H new ATOM 0 HE3 LYS A 568 48.410 -0.925 6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 50.759 -1.088 7.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 50.194 0.472 7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 50.482 -0.639 8.670 1.00 0.00 H new ATOM 552 N GLU A 569 41.684 -0.350 10.148 1.00 0.00 N ATOM 553 CA GLU A 569 40.637 0.188 11.046 1.00 0.00 C ATOM 554 C GLU A 569 39.832 -0.877 11.802 1.00 0.00 C ATOM 555 O GLU A 569 39.486 -1.916 11.254 1.00 0.00 O ATOM 556 CB GLU A 569 39.657 1.066 10.259 1.00 0.00 C ATOM 557 CG GLU A 569 40.215 2.421 9.793 1.00 0.00 C ATOM 558 CD GLU A 569 40.654 3.371 10.934 1.00 0.00 C ATOM 559 OE1 GLU A 569 41.438 4.310 10.660 1.00 0.00 O ATOM 560 OE2 GLU A 569 40.198 3.227 12.097 1.00 0.00 O ATOM 0 H GLU A 569 41.342 -1.036 9.475 1.00 0.00 H new ATOM 0 HA GLU A 569 41.181 0.766 11.793 1.00 0.00 H new ATOM 0 HB2 GLU A 569 39.320 0.511 9.384 1.00 0.00 H new ATOM 0 HB3 GLU A 569 38.779 1.247 10.879 1.00 0.00 H new ATOM 0 HG2 GLU A 569 41.069 2.241 9.141 1.00 0.00 H new ATOM 0 HG3 GLU A 569 39.456 2.923 9.193 1.00 0.00 H new ATOM 567 N THR A 570 39.501 -0.591 13.064 1.00 0.00 N ATOM 568 CA THR A 570 38.796 -1.525 13.957 1.00 0.00 C ATOM 569 C THR A 570 37.271 -1.456 13.812 1.00 0.00 C ATOM 570 O THR A 570 36.686 -0.373 13.880 1.00 0.00 O ATOM 571 CB THR A 570 39.203 -1.279 15.425 1.00 0.00 C ATOM 572 OG1 THR A 570 40.598 -1.470 15.560 1.00 0.00 O ATOM 573 CG2 THR A 570 38.539 -2.231 16.422 1.00 0.00 C ATOM 0 H THR A 570 39.716 0.304 13.503 1.00 0.00 H new ATOM 0 HA THR A 570 39.097 -2.529 13.658 1.00 0.00 H new ATOM 0 HB THR A 570 38.883 -0.262 15.652 1.00 0.00 H new ATOM 0 HG1 THR A 570 40.861 -1.313 16.491 1.00 0.00 H new ATOM 0 HG21 THR A 570 38.876 -1.994 17.431 1.00 0.00 H new ATOM 0 HG22 THR A 570 37.456 -2.120 16.365 1.00 0.00 H new ATOM 0 HG23 THR A 570 38.811 -3.258 16.181 1.00 0.00 H new ATOM 581 N VAL A 571 36.628 -2.615 13.655 1.00 0.00 N ATOM 582 CA VAL A 571 35.168 -2.813 13.756 1.00 0.00 C ATOM 583 C VAL A 571 34.769 -3.265 15.165 1.00 0.00 C ATOM 584 O VAL A 571 35.534 -3.954 15.832 1.00 0.00 O ATOM 585 CB VAL A 571 34.610 -3.831 12.740 1.00 0.00 C ATOM 586 CG1 VAL A 571 34.471 -3.215 11.354 1.00 0.00 C ATOM 587 CG2 VAL A 571 35.410 -5.130 12.652 1.00 0.00 C ATOM 0 H VAL A 571 37.125 -3.481 13.445 1.00 0.00 H new ATOM 0 HA VAL A 571 34.733 -1.840 13.528 1.00 0.00 H new ATOM 0 HB VAL A 571 33.625 -4.097 13.123 1.00 0.00 H new ATOM 0 HG11 VAL A 571 34.075 -3.959 10.663 1.00 0.00 H new ATOM 0 HG12 VAL A 571 33.790 -2.365 11.400 1.00 0.00 H new ATOM 0 HG13 VAL A 571 35.448 -2.879 11.005 1.00 0.00 H new ATOM 0 HG21 VAL A 571 34.952 -5.790 11.916 1.00 0.00 H new ATOM 0 HG22 VAL A 571 36.434 -4.907 12.352 1.00 0.00 H new ATOM 0 HG23 VAL A 571 35.416 -5.620 13.625 1.00 0.00 H new ATOM 597 N THR A 572 33.546 -2.929 15.579 1.00 0.00 N ATOM 598 CA THR A 572 32.954 -3.295 16.876 1.00 0.00 C ATOM 599 C THR A 572 31.516 -3.810 16.707 1.00 0.00 C ATOM 600 O THR A 572 30.806 -3.398 15.788 1.00 0.00 O ATOM 601 CB THR A 572 32.999 -2.120 17.873 1.00 0.00 C ATOM 602 OG1 THR A 572 32.342 -0.966 17.370 1.00 0.00 O ATOM 603 CG2 THR A 572 34.428 -1.710 18.229 1.00 0.00 C ATOM 0 H THR A 572 32.914 -2.374 15.002 1.00 0.00 H new ATOM 0 HA THR A 572 33.558 -4.104 17.288 1.00 0.00 H new ATOM 0 HB THR A 572 32.487 -2.489 18.762 1.00 0.00 H new ATOM 0 HG1 THR A 572 32.392 -0.246 18.033 1.00 0.00 H new ATOM 0 HG21 THR A 572 34.403 -0.879 18.934 1.00 0.00 H new ATOM 0 HG22 THR A 572 34.947 -2.555 18.682 1.00 0.00 H new ATOM 0 HG23 THR A 572 34.954 -1.404 17.325 1.00 0.00 H new ATOM 611 N GLY A 573 31.088 -4.714 17.588 1.00 0.00 N ATOM 612 CA GLY A 573 29.768 -5.349 17.542 1.00 0.00 C ATOM 613 C GLY A 573 28.588 -4.407 17.823 1.00 0.00 C ATOM 614 O GLY A 573 28.681 -3.531 18.684 1.00 0.00 O ATOM 0 H GLY A 573 31.660 -5.033 18.370 1.00 0.00 H new ATOM 0 HA2 GLY A 573 29.630 -5.797 16.558 1.00 0.00 H new ATOM 0 HA3 GLY A 573 29.746 -6.162 18.268 1.00 0.00 H new ATOM 618 N VAL A 574 27.462 -4.622 17.131 1.00 0.00 N ATOM 619 CA VAL A 574 26.221 -3.833 17.244 1.00 0.00 C ATOM 620 C VAL A 574 24.976 -4.713 17.202 1.00 0.00 C ATOM 621 O VAL A 574 24.908 -5.614 16.377 1.00 0.00 O ATOM 622 CB VAL A 574 26.154 -2.774 16.112 1.00 0.00 C ATOM 623 CG1 VAL A 574 24.856 -1.945 16.164 1.00 0.00 C ATOM 624 CG2 VAL A 574 27.331 -1.789 16.180 1.00 0.00 C ATOM 0 H VAL A 574 27.384 -5.378 16.451 1.00 0.00 H new ATOM 0 HA VAL A 574 26.242 -3.334 18.213 1.00 0.00 H new ATOM 0 HB VAL A 574 26.192 -3.345 15.184 1.00 0.00 H new ATOM 0 HG11 VAL A 574 24.856 -1.218 15.352 1.00 0.00 H new ATOM 0 HG12 VAL A 574 23.997 -2.607 16.058 1.00 0.00 H new ATOM 0 HG13 VAL A 574 24.796 -1.423 17.119 1.00 0.00 H new ATOM 0 HG21 VAL A 574 27.246 -1.064 15.370 1.00 0.00 H new ATOM 0 HG22 VAL A 574 27.314 -1.267 17.137 1.00 0.00 H new ATOM 0 HG23 VAL A 574 28.269 -2.335 16.081 1.00 0.00 H new ATOM 634 N TYR A 575 23.975 -4.502 18.058 1.00 0.00 N ATOM 635 CA TYR A 575 22.774 -5.350 18.109 1.00 0.00 C ATOM 636 C TYR A 575 21.823 -5.120 16.915 1.00 0.00 C ATOM 637 O TYR A 575 21.359 -3.997 16.688 1.00 0.00 O ATOM 638 CB TYR A 575 22.062 -5.133 19.453 1.00 0.00 C ATOM 639 CG TYR A 575 20.868 -6.045 19.668 1.00 0.00 C ATOM 640 CD1 TYR A 575 21.081 -7.369 20.104 1.00 0.00 C ATOM 641 CD2 TYR A 575 19.558 -5.581 19.428 1.00 0.00 C ATOM 642 CE1 TYR A 575 19.986 -8.223 20.328 1.00 0.00 C ATOM 643 CE2 TYR A 575 18.460 -6.431 19.648 1.00 0.00 C ATOM 644 CZ TYR A 575 18.671 -7.748 20.109 1.00 0.00 C ATOM 645 OH TYR A 575 17.599 -8.559 20.341 1.00 0.00 O ATOM 0 H TYR A 575 23.970 -3.740 18.736 1.00 0.00 H new ATOM 0 HA TYR A 575 23.090 -6.390 18.029 1.00 0.00 H new ATOM 0 HB2 TYR A 575 22.776 -5.289 20.261 1.00 0.00 H new ATOM 0 HB3 TYR A 575 21.731 -4.096 19.515 1.00 0.00 H new ATOM 0 HD1 TYR A 575 22.087 -7.728 20.266 1.00 0.00 H new ATOM 0 HD2 TYR A 575 19.398 -4.573 19.075 1.00 0.00 H new ATOM 0 HE1 TYR A 575 20.148 -9.236 20.665 1.00 0.00 H new ATOM 0 HE2 TYR A 575 17.456 -6.077 19.464 1.00 0.00 H new ATOM 0 HH TYR A 575 16.772 -8.073 20.140 1.00 0.00 H new ATOM 655 N ASP A 576 21.511 -6.185 16.172 1.00 0.00 N ATOM 656 CA ASP A 576 20.477 -6.229 15.134 1.00 0.00 C ATOM 657 C ASP A 576 19.126 -6.685 15.711 1.00 0.00 C ATOM 658 O ASP A 576 19.011 -7.800 16.233 1.00 0.00 O ATOM 659 CB ASP A 576 20.909 -7.215 14.032 1.00 0.00 C ATOM 660 CG ASP A 576 19.837 -7.401 12.945 1.00 0.00 C ATOM 661 OD1 ASP A 576 19.124 -6.426 12.600 1.00 0.00 O ATOM 662 OD2 ASP A 576 19.697 -8.543 12.451 1.00 0.00 O ATOM 0 H ASP A 576 21.992 -7.078 16.282 1.00 0.00 H new ATOM 0 HA ASP A 576 20.358 -5.225 14.727 1.00 0.00 H new ATOM 0 HB2 ASP A 576 21.829 -6.857 13.571 1.00 0.00 H new ATOM 0 HB3 ASP A 576 21.134 -8.181 14.483 1.00 0.00 H new ATOM 667 N GLU A 577 18.083 -5.871 15.553 1.00 0.00 N ATOM 668 CA GLU A 577 16.720 -6.197 15.995 1.00 0.00 C ATOM 669 C GLU A 577 16.016 -7.274 15.134 1.00 0.00 C ATOM 670 O GLU A 577 15.114 -7.954 15.635 1.00 0.00 O ATOM 671 CB GLU A 577 15.863 -4.919 15.995 1.00 0.00 C ATOM 672 CG GLU A 577 16.331 -3.839 16.990 1.00 0.00 C ATOM 673 CD GLU A 577 16.409 -2.438 16.346 1.00 0.00 C ATOM 674 OE1 GLU A 577 17.303 -2.196 15.498 1.00 0.00 O ATOM 675 OE2 GLU A 577 15.573 -1.568 16.691 1.00 0.00 O ATOM 0 H GLU A 577 18.157 -4.955 15.110 1.00 0.00 H new ATOM 0 HA GLU A 577 16.818 -6.614 16.997 1.00 0.00 H new ATOM 0 HB2 GLU A 577 15.864 -4.495 14.991 1.00 0.00 H new ATOM 0 HB3 GLU A 577 14.832 -5.187 16.227 1.00 0.00 H new ATOM 0 HG2 GLU A 577 15.646 -3.809 17.837 1.00 0.00 H new ATOM 0 HG3 GLU A 577 17.311 -4.111 17.382 1.00 0.00 H new ATOM 682 N GLU A 578 16.408 -7.452 13.863 1.00 0.00 N ATOM 683 CA GLU A 578 15.759 -8.391 12.928 1.00 0.00 C ATOM 684 C GLU A 578 16.110 -9.855 13.257 1.00 0.00 C ATOM 685 O GLU A 578 15.217 -10.681 13.462 1.00 0.00 O ATOM 686 CB GLU A 578 16.131 -8.078 11.469 1.00 0.00 C ATOM 687 CG GLU A 578 15.702 -6.699 10.941 1.00 0.00 C ATOM 688 CD GLU A 578 14.246 -6.666 10.424 1.00 0.00 C ATOM 689 OE1 GLU A 578 14.021 -6.168 9.294 1.00 0.00 O ATOM 690 OE2 GLU A 578 13.315 -7.112 11.138 1.00 0.00 O ATOM 0 H GLU A 578 17.191 -6.945 13.450 1.00 0.00 H new ATOM 0 HA GLU A 578 14.683 -8.261 13.048 1.00 0.00 H new ATOM 0 HB2 GLU A 578 17.213 -8.164 11.365 1.00 0.00 H new ATOM 0 HB3 GLU A 578 15.688 -8.842 10.831 1.00 0.00 H new ATOM 0 HG2 GLU A 578 15.814 -5.963 11.737 1.00 0.00 H new ATOM 0 HG3 GLU A 578 16.373 -6.402 10.135 1.00 0.00 H new ATOM 697 N SER A 579 17.404 -10.181 13.349 1.00 0.00 N ATOM 698 CA SER A 579 17.887 -11.492 13.804 1.00 0.00 C ATOM 699 C SER A 579 17.836 -11.631 15.337 1.00 0.00 C ATOM 700 O SER A 579 17.713 -12.745 15.850 1.00 0.00 O ATOM 701 CB SER A 579 19.314 -11.727 13.287 1.00 0.00 C ATOM 702 OG SER A 579 19.744 -13.063 13.504 1.00 0.00 O ATOM 0 H SER A 579 18.155 -9.535 13.107 1.00 0.00 H new ATOM 0 HA SER A 579 17.222 -12.253 13.395 1.00 0.00 H new ATOM 0 HB2 SER A 579 19.356 -11.501 12.221 1.00 0.00 H new ATOM 0 HB3 SER A 579 19.998 -11.040 13.785 1.00 0.00 H new ATOM 0 HG SER A 579 20.655 -13.173 13.160 1.00 0.00 H new ATOM 708 N GLY A 580 17.935 -10.516 16.075 1.00 0.00 N ATOM 709 CA GLY A 580 17.992 -10.504 17.543 1.00 0.00 C ATOM 710 C GLY A 580 19.380 -10.844 18.096 1.00 0.00 C ATOM 711 O GLY A 580 19.487 -11.505 19.131 1.00 0.00 O ATOM 0 H GLY A 580 17.978 -9.584 15.663 1.00 0.00 H new ATOM 0 HA2 GLY A 580 17.696 -9.519 17.904 1.00 0.00 H new ATOM 0 HA3 GLY A 580 17.267 -11.218 17.934 1.00 0.00 H new ATOM 715 N GLU A 581 20.445 -10.467 17.376 1.00 0.00 N ATOM 716 CA GLU A 581 21.841 -10.868 17.629 1.00 0.00 C ATOM 717 C GLU A 581 22.821 -9.711 17.378 1.00 0.00 C ATOM 718 O GLU A 581 22.537 -8.802 16.596 1.00 0.00 O ATOM 719 CB GLU A 581 22.227 -12.067 16.738 1.00 0.00 C ATOM 720 CG GLU A 581 21.478 -13.381 17.019 1.00 0.00 C ATOM 721 CD GLU A 581 21.740 -13.991 18.412 1.00 0.00 C ATOM 722 OE1 GLU A 581 22.731 -13.632 19.094 1.00 0.00 O ATOM 723 OE2 GLU A 581 20.962 -14.890 18.819 1.00 0.00 O ATOM 0 H GLU A 581 20.357 -9.850 16.569 1.00 0.00 H new ATOM 0 HA GLU A 581 21.909 -11.153 18.679 1.00 0.00 H new ATOM 0 HB2 GLU A 581 22.058 -11.791 15.697 1.00 0.00 H new ATOM 0 HB3 GLU A 581 23.296 -12.249 16.850 1.00 0.00 H new ATOM 0 HG2 GLU A 581 20.408 -13.203 16.911 1.00 0.00 H new ATOM 0 HG3 GLU A 581 21.757 -14.111 16.260 1.00 0.00 H new ATOM 730 N TRP A 582 24.000 -9.737 18.001 1.00 0.00 N ATOM 731 CA TRP A 582 25.071 -8.770 17.743 1.00 0.00 C ATOM 732 C TRP A 582 25.789 -9.067 16.420 1.00 0.00 C ATOM 733 O TRP A 582 26.085 -10.215 16.103 1.00 0.00 O ATOM 734 CB TRP A 582 26.043 -8.717 18.926 1.00 0.00 C ATOM 735 CG TRP A 582 25.420 -8.268 20.220 1.00 0.00 C ATOM 736 CD1 TRP A 582 24.737 -9.053 21.089 1.00 0.00 C ATOM 737 CD2 TRP A 582 25.393 -6.925 20.798 1.00 0.00 C ATOM 738 NE1 TRP A 582 24.276 -8.288 22.144 1.00 0.00 N ATOM 739 CE2 TRP A 582 24.644 -6.970 22.010 1.00 0.00 C ATOM 740 CE3 TRP A 582 25.948 -5.684 20.437 1.00 0.00 C ATOM 741 CZ2 TRP A 582 24.422 -5.838 22.806 1.00 0.00 C ATOM 742 CZ3 TRP A 582 25.731 -4.537 21.225 1.00 0.00 C ATOM 743 CH2 TRP A 582 24.966 -4.608 22.399 1.00 0.00 C ATOM 0 H TRP A 582 24.242 -10.435 18.705 1.00 0.00 H new ATOM 0 HA TRP A 582 24.622 -7.782 17.639 1.00 0.00 H new ATOM 0 HB2 TRP A 582 26.477 -9.707 19.069 1.00 0.00 H new ATOM 0 HB3 TRP A 582 26.863 -8.043 18.678 1.00 0.00 H new ATOM 0 HD1 TRP A 582 24.577 -10.115 20.974 1.00 0.00 H new ATOM 0 HE1 TRP A 582 23.731 -8.655 22.924 1.00 0.00 H new ATOM 0 HE3 TRP A 582 26.549 -5.610 19.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 582 23.844 -5.910 23.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 582 26.158 -3.592 20.922 1.00 0.00 H new ATOM 0 HH2 TRP A 582 24.796 -3.719 22.989 1.00 0.00 H new ATOM 754 N VAL A 583 26.095 -8.024 15.647 1.00 0.00 N ATOM 755 CA VAL A 583 26.656 -8.073 14.279 1.00 0.00 C ATOM 756 C VAL A 583 27.743 -7.027 14.042 1.00 0.00 C ATOM 757 O VAL A 583 27.734 -5.943 14.623 1.00 0.00 O ATOM 758 CB VAL A 583 25.557 -7.912 13.203 1.00 0.00 C ATOM 759 CG1 VAL A 583 24.610 -9.116 13.162 1.00 0.00 C ATOM 760 CG2 VAL A 583 24.708 -6.642 13.333 1.00 0.00 C ATOM 0 H VAL A 583 25.954 -7.066 15.968 1.00 0.00 H new ATOM 0 HA VAL A 583 27.110 -9.060 14.190 1.00 0.00 H new ATOM 0 HB VAL A 583 26.124 -7.836 12.275 1.00 0.00 H new ATOM 0 HG11 VAL A 583 23.855 -8.959 12.392 1.00 0.00 H new ATOM 0 HG12 VAL A 583 25.178 -10.018 12.934 1.00 0.00 H new ATOM 0 HG13 VAL A 583 24.123 -9.229 14.130 1.00 0.00 H new ATOM 0 HG21 VAL A 583 23.966 -6.617 12.535 1.00 0.00 H new ATOM 0 HG22 VAL A 583 24.203 -6.639 14.299 1.00 0.00 H new ATOM 0 HG23 VAL A 583 25.351 -5.765 13.257 1.00 0.00 H new ATOM 770 N TRP A 584 28.670 -7.349 13.150 1.00 0.00 N ATOM 771 CA TRP A 584 29.669 -6.451 12.576 1.00 0.00 C ATOM 772 C TRP A 584 29.135 -5.911 11.245 1.00 0.00 C ATOM 773 O TRP A 584 29.090 -6.634 10.248 1.00 0.00 O ATOM 774 CB TRP A 584 30.964 -7.252 12.395 1.00 0.00 C ATOM 775 CG TRP A 584 31.793 -7.454 13.623 1.00 0.00 C ATOM 776 CD1 TRP A 584 32.212 -6.473 14.453 1.00 0.00 C ATOM 777 CD2 TRP A 584 32.345 -8.695 14.153 1.00 0.00 C ATOM 778 NE1 TRP A 584 32.957 -7.023 15.481 1.00 0.00 N ATOM 779 CE2 TRP A 584 33.097 -8.384 15.328 1.00 0.00 C ATOM 780 CE3 TRP A 584 32.287 -10.055 13.767 1.00 0.00 C ATOM 781 CZ2 TRP A 584 33.746 -9.370 16.083 1.00 0.00 C ATOM 782 CZ3 TRP A 584 32.949 -11.048 14.507 1.00 0.00 C ATOM 783 CH2 TRP A 584 33.658 -10.708 15.672 1.00 0.00 C ATOM 0 H TRP A 584 28.751 -8.298 12.785 1.00 0.00 H new ATOM 0 HA TRP A 584 29.873 -5.597 13.222 1.00 0.00 H new ATOM 0 HB2 TRP A 584 30.707 -8.231 11.990 1.00 0.00 H new ATOM 0 HB3 TRP A 584 31.577 -6.748 11.647 1.00 0.00 H new ATOM 0 HD1 TRP A 584 31.998 -5.421 14.332 1.00 0.00 H new ATOM 0 HE1 TRP A 584 33.352 -6.488 16.254 1.00 0.00 H new ATOM 0 HE3 TRP A 584 31.724 -10.334 12.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 584 34.305 -9.104 16.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 584 32.913 -12.077 14.180 1.00 0.00 H new ATOM 0 HH2 TRP A 584 34.138 -11.481 16.254 1.00 0.00 H new ATOM 794 N LYS A 585 28.689 -4.652 11.246 1.00 0.00 N ATOM 795 CA LYS A 585 28.091 -3.980 10.075 1.00 0.00 C ATOM 796 C LYS A 585 29.138 -3.711 8.988 1.00 0.00 C ATOM 797 O LYS A 585 30.295 -3.440 9.307 1.00 0.00 O ATOM 798 CB LYS A 585 27.381 -2.685 10.493 1.00 0.00 C ATOM 799 CG LYS A 585 26.189 -2.956 11.424 1.00 0.00 C ATOM 800 CD LYS A 585 25.290 -1.723 11.613 1.00 0.00 C ATOM 801 CE LYS A 585 26.022 -0.549 12.280 1.00 0.00 C ATOM 802 NZ LYS A 585 25.125 0.630 12.442 1.00 0.00 N ATOM 0 H LYS A 585 28.731 -4.055 12.072 1.00 0.00 H new ATOM 0 HA LYS A 585 27.346 -4.652 9.650 1.00 0.00 H new ATOM 0 HB2 LYS A 585 28.091 -2.028 10.995 1.00 0.00 H new ATOM 0 HB3 LYS A 585 27.034 -2.159 9.604 1.00 0.00 H new ATOM 0 HG2 LYS A 585 25.595 -3.775 11.018 1.00 0.00 H new ATOM 0 HG3 LYS A 585 26.559 -3.283 12.396 1.00 0.00 H new ATOM 0 HD2 LYS A 585 24.910 -1.404 10.642 1.00 0.00 H new ATOM 0 HD3 LYS A 585 24.427 -1.998 12.219 1.00 0.00 H new ATOM 0 HE2 LYS A 585 26.397 -0.859 13.255 1.00 0.00 H new ATOM 0 HE3 LYS A 585 26.888 -0.270 11.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 585 25.649 1.405 12.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 585 24.787 0.940 11.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 585 24.312 0.369 13.035 1.00 0.00 H new ATOM 816 N ASN A 586 28.741 -3.782 7.712 1.00 0.00 N ATOM 817 CA ASN A 586 29.609 -3.592 6.539 1.00 0.00 C ATOM 818 C ASN A 586 30.912 -4.430 6.632 1.00 0.00 C ATOM 819 O ASN A 586 32.006 -3.916 6.396 1.00 0.00 O ATOM 820 CB ASN A 586 29.803 -2.075 6.290 1.00 0.00 C ATOM 821 CG ASN A 586 30.644 -1.751 5.057 1.00 0.00 C ATOM 822 OD1 ASN A 586 30.747 -2.510 4.108 1.00 0.00 O ATOM 823 ND2 ASN A 586 31.275 -0.605 5.021 1.00 0.00 N ATOM 0 H ASN A 586 27.774 -3.980 7.457 1.00 0.00 H new ATOM 0 HA ASN A 586 29.128 -3.990 5.645 1.00 0.00 H new ATOM 0 HB2 ASN A 586 28.825 -1.607 6.183 1.00 0.00 H new ATOM 0 HB3 ASN A 586 30.275 -1.631 7.166 1.00 0.00 H new ATOM 0 HD21 ASN A 586 31.841 -0.360 4.209 1.00 0.00 H new ATOM 0 HD22 ASN A 586 31.201 0.043 5.805 1.00 0.00 H new ATOM 830 N THR A 587 30.805 -5.705 7.030 1.00 0.00 N ATOM 831 CA THR A 587 31.955 -6.596 7.313 1.00 0.00 C ATOM 832 C THR A 587 31.807 -7.961 6.627 1.00 0.00 C ATOM 833 O THR A 587 30.704 -8.505 6.524 1.00 0.00 O ATOM 834 CB THR A 587 32.173 -6.753 8.832 1.00 0.00 C ATOM 835 OG1 THR A 587 32.387 -5.493 9.429 1.00 0.00 O ATOM 836 CG2 THR A 587 33.388 -7.594 9.226 1.00 0.00 C ATOM 0 H THR A 587 29.903 -6.161 7.169 1.00 0.00 H new ATOM 0 HA THR A 587 32.842 -6.123 6.892 1.00 0.00 H new ATOM 0 HB THR A 587 31.267 -7.254 9.174 1.00 0.00 H new ATOM 0 HG1 THR A 587 31.590 -4.935 9.310 1.00 0.00 H new ATOM 0 HG21 THR A 587 33.457 -7.646 10.313 1.00 0.00 H new ATOM 0 HG22 THR A 587 33.281 -8.600 8.820 1.00 0.00 H new ATOM 0 HG23 THR A 587 34.293 -7.136 8.826 1.00 0.00 H new ATOM 844 N ILE A 588 32.940 -8.533 6.216 1.00 0.00 N ATOM 845 CA ILE A 588 33.105 -9.822 5.535 1.00 0.00 C ATOM 846 C ILE A 588 34.344 -10.557 6.090 1.00 0.00 C ATOM 847 O ILE A 588 35.292 -9.925 6.560 1.00 0.00 O ATOM 848 CB ILE A 588 33.155 -9.584 4.002 1.00 0.00 C ATOM 849 CG1 ILE A 588 33.261 -10.918 3.229 1.00 0.00 C ATOM 850 CG2 ILE A 588 34.303 -8.659 3.557 1.00 0.00 C ATOM 851 CD1 ILE A 588 33.268 -10.778 1.703 1.00 0.00 C ATOM 0 H ILE A 588 33.838 -8.072 6.361 1.00 0.00 H new ATOM 0 HA ILE A 588 32.255 -10.476 5.728 1.00 0.00 H new ATOM 0 HB ILE A 588 32.216 -9.085 3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 588 34.173 -11.429 3.537 1.00 0.00 H new ATOM 0 HG13 ILE A 588 32.426 -11.556 3.517 1.00 0.00 H new ATOM 0 HG21 ILE A 588 34.275 -8.539 2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 588 34.191 -7.685 4.033 1.00 0.00 H new ATOM 0 HG23 ILE A 588 35.257 -9.097 3.849 1.00 0.00 H new ATOM 0 HD11 ILE A 588 33.345 -11.765 1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 588 32.345 -10.299 1.377 1.00 0.00 H new ATOM 0 HD13 ILE A 588 34.119 -10.170 1.397 1.00 0.00 H new ATOM 863 N GLU A 589 34.359 -11.892 6.057 1.00 0.00 N ATOM 864 CA GLU A 589 35.535 -12.711 6.395 1.00 0.00 C ATOM 865 C GLU A 589 36.139 -13.345 5.130 1.00 0.00 C ATOM 866 O GLU A 589 35.485 -14.141 4.455 1.00 0.00 O ATOM 867 CB GLU A 589 35.161 -13.774 7.436 1.00 0.00 C ATOM 868 CG GLU A 589 36.401 -14.516 7.951 1.00 0.00 C ATOM 869 CD GLU A 589 36.105 -15.660 8.949 1.00 0.00 C ATOM 870 OE1 GLU A 589 34.925 -16.047 9.153 1.00 0.00 O ATOM 871 OE2 GLU A 589 37.073 -16.225 9.515 1.00 0.00 O ATOM 0 H GLU A 589 33.545 -12.446 5.791 1.00 0.00 H new ATOM 0 HA GLU A 589 36.298 -12.067 6.833 1.00 0.00 H new ATOM 0 HB2 GLU A 589 34.645 -13.301 8.272 1.00 0.00 H new ATOM 0 HB3 GLU A 589 34.465 -14.488 6.995 1.00 0.00 H new ATOM 0 HG2 GLU A 589 36.941 -14.927 7.098 1.00 0.00 H new ATOM 0 HG3 GLU A 589 37.064 -13.796 8.431 1.00 0.00 H new ATOM 878 N VAL A 590 37.389 -12.998 4.815 1.00 0.00 N ATOM 879 CA VAL A 590 38.114 -13.417 3.602 1.00 0.00 C ATOM 880 C VAL A 590 39.589 -13.636 3.911 1.00 0.00 C ATOM 881 O VAL A 590 40.214 -12.887 4.658 1.00 0.00 O ATOM 882 CB VAL A 590 37.858 -12.434 2.427 1.00 0.00 C ATOM 883 CG1 VAL A 590 38.930 -12.470 1.335 1.00 0.00 C ATOM 884 CG2 VAL A 590 36.531 -12.731 1.713 1.00 0.00 C ATOM 0 H VAL A 590 37.950 -12.395 5.417 1.00 0.00 H new ATOM 0 HA VAL A 590 37.726 -14.379 3.267 1.00 0.00 H new ATOM 0 HB VAL A 590 37.857 -11.458 2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 590 38.676 -11.755 0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 590 39.897 -12.209 1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 590 38.981 -13.472 0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 590 36.390 -12.021 0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 590 36.552 -13.744 1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 590 35.708 -12.638 2.422 1.00 0.00 H new ATOM 894 N ASN A 591 40.132 -14.715 3.336 1.00 0.00 N ATOM 895 CA ASN A 591 41.526 -15.137 3.491 1.00 0.00 C ATOM 896 C ASN A 591 41.965 -15.306 4.969 1.00 0.00 C ATOM 897 O ASN A 591 43.103 -15.007 5.344 1.00 0.00 O ATOM 898 CB ASN A 591 42.429 -14.207 2.662 1.00 0.00 C ATOM 899 CG ASN A 591 42.106 -14.077 1.178 1.00 0.00 C ATOM 900 OD1 ASN A 591 42.212 -13.008 0.596 1.00 0.00 O ATOM 901 ND2 ASN A 591 41.715 -15.135 0.502 1.00 0.00 N ATOM 0 H ASN A 591 39.595 -15.337 2.731 1.00 0.00 H new ATOM 0 HA ASN A 591 41.631 -16.147 3.094 1.00 0.00 H new ATOM 0 HB2 ASN A 591 42.391 -13.212 3.106 1.00 0.00 H new ATOM 0 HB3 ASN A 591 43.456 -14.559 2.756 1.00 0.00 H new ATOM 0 HD21 ASN A 591 41.505 -15.056 -0.493 1.00 0.00 H new ATOM 0 HD22 ASN A 591 41.621 -16.035 0.973 1.00 0.00 H new ATOM 908 N GLY A 592 41.044 -15.757 5.831 1.00 0.00 N ATOM 909 CA GLY A 592 41.272 -15.966 7.269 1.00 0.00 C ATOM 910 C GLY A 592 41.308 -14.692 8.127 1.00 0.00 C ATOM 911 O GLY A 592 41.709 -14.759 9.291 1.00 0.00 O ATOM 0 H GLY A 592 40.095 -15.993 5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 592 40.487 -16.619 7.652 1.00 0.00 H new ATOM 0 HA3 GLY A 592 42.217 -16.495 7.396 1.00 0.00 H new ATOM 915 N LYS A 593 40.910 -13.539 7.573 1.00 0.00 N ATOM 916 CA LYS A 593 40.890 -12.220 8.236 1.00 0.00 C ATOM 917 C LYS A 593 39.552 -11.498 8.019 1.00 0.00 C ATOM 918 O LYS A 593 38.826 -11.780 7.061 1.00 0.00 O ATOM 919 CB LYS A 593 42.067 -11.361 7.730 1.00 0.00 C ATOM 920 CG LYS A 593 43.436 -11.958 8.098 1.00 0.00 C ATOM 921 CD LYS A 593 44.575 -11.007 7.708 1.00 0.00 C ATOM 922 CE LYS A 593 45.957 -11.572 8.077 1.00 0.00 C ATOM 923 NZ LYS A 593 46.326 -12.758 7.255 1.00 0.00 N ATOM 0 H LYS A 593 40.578 -13.494 6.610 1.00 0.00 H new ATOM 0 HA LYS A 593 41.001 -12.376 9.309 1.00 0.00 H new ATOM 0 HB2 LYS A 593 41.998 -11.259 6.647 1.00 0.00 H new ATOM 0 HB3 LYS A 593 41.987 -10.358 8.150 1.00 0.00 H new ATOM 0 HG2 LYS A 593 43.474 -12.156 9.169 1.00 0.00 H new ATOM 0 HG3 LYS A 593 43.567 -12.915 7.592 1.00 0.00 H new ATOM 0 HD2 LYS A 593 44.537 -10.818 6.635 1.00 0.00 H new ATOM 0 HD3 LYS A 593 44.432 -10.048 8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 593 46.710 -10.795 7.947 1.00 0.00 H new ATOM 0 HE3 LYS A 593 45.963 -11.848 9.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 47.272 -13.091 7.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 45.633 -13.518 7.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 46.331 -12.495 6.249 1.00 0.00 H new ATOM 937 N TYR A 594 39.228 -10.564 8.912 1.00 0.00 N ATOM 938 CA TYR A 594 38.048 -9.705 8.775 1.00 0.00 C ATOM 939 C TYR A 594 38.362 -8.444 7.975 1.00 0.00 C ATOM 940 O TYR A 594 39.335 -7.738 8.237 1.00 0.00 O ATOM 941 CB TYR A 594 37.462 -9.354 10.136 1.00 0.00 C ATOM 942 CG TYR A 594 36.809 -10.568 10.764 1.00 0.00 C ATOM 943 CD1 TYR A 594 35.541 -10.969 10.301 1.00 0.00 C ATOM 944 CD2 TYR A 594 37.502 -11.369 11.689 1.00 0.00 C ATOM 945 CE1 TYR A 594 34.958 -12.158 10.766 1.00 0.00 C ATOM 946 CE2 TYR A 594 36.915 -12.561 12.166 1.00 0.00 C ATOM 947 CZ TYR A 594 35.640 -12.954 11.713 1.00 0.00 C ATOM 948 OH TYR A 594 35.086 -14.109 12.174 1.00 0.00 O ATOM 0 H TYR A 594 39.776 -10.380 9.753 1.00 0.00 H new ATOM 0 HA TYR A 594 37.298 -10.269 8.220 1.00 0.00 H new ATOM 0 HB2 TYR A 594 38.248 -8.978 10.790 1.00 0.00 H new ATOM 0 HB3 TYR A 594 36.728 -8.555 10.027 1.00 0.00 H new ATOM 0 HD1 TYR A 594 35.014 -10.358 9.584 1.00 0.00 H new ATOM 0 HD2 TYR A 594 38.482 -11.073 12.034 1.00 0.00 H new ATOM 0 HE1 TYR A 594 33.989 -12.464 10.400 1.00 0.00 H new ATOM 0 HE2 TYR A 594 37.445 -13.174 12.880 1.00 0.00 H new ATOM 0 HH TYR A 594 35.693 -14.529 12.818 1.00 0.00 H new ATOM 958 N PHE A 595 37.498 -8.184 7.001 1.00 0.00 N ATOM 959 CA PHE A 595 37.569 -7.097 6.026 1.00 0.00 C ATOM 960 C PHE A 595 36.270 -6.271 6.074 1.00 0.00 C ATOM 961 O PHE A 595 35.214 -6.786 6.448 1.00 0.00 O ATOM 962 CB PHE A 595 37.714 -7.703 4.611 1.00 0.00 C ATOM 963 CG PHE A 595 39.017 -8.342 4.142 1.00 0.00 C ATOM 964 CD1 PHE A 595 39.068 -8.821 2.817 1.00 0.00 C ATOM 965 CD2 PHE A 595 40.162 -8.479 4.952 1.00 0.00 C ATOM 966 CE1 PHE A 595 40.237 -9.410 2.301 1.00 0.00 C ATOM 967 CE2 PHE A 595 41.318 -9.109 4.454 1.00 0.00 C ATOM 968 CZ PHE A 595 41.360 -9.569 3.128 1.00 0.00 C ATOM 0 H PHE A 595 36.672 -8.766 6.860 1.00 0.00 H new ATOM 0 HA PHE A 595 38.421 -6.458 6.258 1.00 0.00 H new ATOM 0 HB2 PHE A 595 36.937 -8.461 4.511 1.00 0.00 H new ATOM 0 HB3 PHE A 595 37.478 -6.909 3.902 1.00 0.00 H new ATOM 0 HD1 PHE A 595 38.195 -8.734 2.187 1.00 0.00 H new ATOM 0 HD2 PHE A 595 40.152 -8.098 5.962 1.00 0.00 H new ATOM 0 HE1 PHE A 595 40.270 -9.738 1.273 1.00 0.00 H new ATOM 0 HE2 PHE A 595 42.177 -9.239 5.095 1.00 0.00 H new ATOM 0 HZ PHE A 595 42.252 -10.043 2.746 1.00 0.00 H new ATOM 978 N HIS A 596 36.300 -5.008 5.641 1.00 0.00 N ATOM 979 CA HIS A 596 35.071 -4.241 5.389 1.00 0.00 C ATOM 980 C HIS A 596 34.519 -4.658 4.022 1.00 0.00 C ATOM 981 O HIS A 596 35.300 -4.831 3.084 1.00 0.00 O ATOM 982 CB HIS A 596 35.348 -2.741 5.354 1.00 0.00 C ATOM 983 CG HIS A 596 35.619 -2.064 6.664 1.00 0.00 C ATOM 984 ND1 HIS A 596 36.814 -1.407 6.909 1.00 0.00 N ATOM 985 CD2 HIS A 596 34.792 -1.937 7.741 1.00 0.00 C ATOM 986 CE1 HIS A 596 36.700 -0.899 8.146 1.00 0.00 C ATOM 987 NE2 HIS A 596 35.491 -1.194 8.668 1.00 0.00 N ATOM 0 H HIS A 596 37.161 -4.492 5.457 1.00 0.00 H new ATOM 0 HA HIS A 596 34.362 -4.445 6.191 1.00 0.00 H new ATOM 0 HB2 HIS A 596 36.205 -2.571 4.702 1.00 0.00 H new ATOM 0 HB3 HIS A 596 34.492 -2.250 4.891 1.00 0.00 H new ATOM 0 HD2 HIS A 596 33.794 -2.337 7.846 1.00 0.00 H new ATOM 0 HE1 HIS A 596 37.468 -0.333 8.653 1.00 0.00 H new ATOM 0 HE2 HIS A 596 35.153 -0.915 9.589 1.00 0.00 H new ATOM 995 N SER A 597 33.201 -4.783 3.872 1.00 0.00 N ATOM 996 CA SER A 597 32.603 -5.195 2.594 1.00 0.00 C ATOM 997 C SER A 597 32.800 -4.142 1.493 1.00 0.00 C ATOM 998 O SER A 597 33.117 -4.507 0.362 1.00 0.00 O ATOM 999 CB SER A 597 31.126 -5.556 2.770 1.00 0.00 C ATOM 1000 OG SER A 597 30.985 -6.519 3.799 1.00 0.00 O ATOM 0 H SER A 597 32.525 -4.606 4.615 1.00 0.00 H new ATOM 0 HA SER A 597 33.130 -6.091 2.266 1.00 0.00 H new ATOM 0 HB2 SER A 597 30.551 -4.663 3.014 1.00 0.00 H new ATOM 0 HB3 SER A 597 30.724 -5.948 1.836 1.00 0.00 H new ATOM 0 HG SER A 597 30.124 -6.976 3.703 1.00 0.00 H new ATOM 1006 N THR A 598 32.710 -2.846 1.814 1.00 0.00 N ATOM 1007 CA THR A 598 33.045 -1.741 0.887 1.00 0.00 C ATOM 1008 C THR A 598 34.533 -1.696 0.513 1.00 0.00 C ATOM 1009 O THR A 598 34.850 -1.442 -0.651 1.00 0.00 O ATOM 1010 CB THR A 598 32.618 -0.372 1.448 1.00 0.00 C ATOM 1011 OG1 THR A 598 33.068 -0.195 2.776 1.00 0.00 O ATOM 1012 CG2 THR A 598 31.103 -0.195 1.446 1.00 0.00 C ATOM 0 H THR A 598 32.400 -2.524 2.731 1.00 0.00 H new ATOM 0 HA THR A 598 32.479 -1.950 -0.021 1.00 0.00 H new ATOM 0 HB THR A 598 33.073 0.369 0.791 1.00 0.00 H new ATOM 0 HG1 THR A 598 32.925 0.735 3.049 1.00 0.00 H new ATOM 0 HG21 THR A 598 30.851 0.785 1.850 1.00 0.00 H new ATOM 0 HG22 THR A 598 30.729 -0.274 0.425 1.00 0.00 H new ATOM 0 HG23 THR A 598 30.645 -0.970 2.061 1.00 0.00 H new ATOM 1020 N CYS A 599 35.444 -1.986 1.454 1.00 0.00 N ATOM 1021 CA CYS A 599 36.876 -2.128 1.187 1.00 0.00 C ATOM 1022 C CYS A 599 37.119 -3.292 0.201 1.00 0.00 C ATOM 1023 O CYS A 599 37.662 -3.083 -0.884 1.00 0.00 O ATOM 1024 CB CYS A 599 37.639 -2.298 2.517 1.00 0.00 C ATOM 1025 SG CYS A 599 37.707 -0.737 3.474 1.00 0.00 S ATOM 0 H CYS A 599 35.199 -2.130 2.434 1.00 0.00 H new ATOM 0 HA CYS A 599 37.260 -1.227 0.709 1.00 0.00 H new ATOM 0 HB2 CYS A 599 37.156 -3.070 3.116 1.00 0.00 H new ATOM 0 HB3 CYS A 599 38.653 -2.642 2.312 1.00 0.00 H new ATOM 1030 N TYR A 600 36.689 -4.506 0.563 1.00 0.00 N ATOM 1031 CA TYR A 600 36.832 -5.729 -0.234 1.00 0.00 C ATOM 1032 C TYR A 600 36.281 -5.597 -1.667 1.00 0.00 C ATOM 1033 O TYR A 600 36.931 -6.038 -2.617 1.00 0.00 O ATOM 1034 CB TYR A 600 36.144 -6.867 0.538 1.00 0.00 C ATOM 1035 CG TYR A 600 35.967 -8.143 -0.262 1.00 0.00 C ATOM 1036 CD1 TYR A 600 37.081 -8.955 -0.556 1.00 0.00 C ATOM 1037 CD2 TYR A 600 34.692 -8.491 -0.749 1.00 0.00 C ATOM 1038 CE1 TYR A 600 36.923 -10.121 -1.331 1.00 0.00 C ATOM 1039 CE2 TYR A 600 34.531 -9.659 -1.524 1.00 0.00 C ATOM 1040 CZ TYR A 600 35.645 -10.478 -1.813 1.00 0.00 C ATOM 1041 OH TYR A 600 35.501 -11.596 -2.576 1.00 0.00 O ATOM 0 H TYR A 600 36.215 -4.669 1.451 1.00 0.00 H new ATOM 0 HA TYR A 600 37.893 -5.940 -0.370 1.00 0.00 H new ATOM 0 HB2 TYR A 600 36.728 -7.090 1.431 1.00 0.00 H new ATOM 0 HB3 TYR A 600 35.166 -6.523 0.874 1.00 0.00 H new ATOM 0 HD1 TYR A 600 38.058 -8.683 -0.186 1.00 0.00 H new ATOM 0 HD2 TYR A 600 33.840 -7.865 -0.530 1.00 0.00 H new ATOM 0 HE1 TYR A 600 37.778 -10.741 -1.556 1.00 0.00 H new ATOM 0 HE2 TYR A 600 33.554 -9.927 -1.897 1.00 0.00 H new ATOM 0 HH TYR A 600 34.560 -11.702 -2.827 1.00 0.00 H new ATOM 1051 N HIS A 601 35.142 -4.917 -1.849 1.00 0.00 N ATOM 1052 CA HIS A 601 34.527 -4.668 -3.164 1.00 0.00 C ATOM 1053 C HIS A 601 35.420 -3.860 -4.127 1.00 0.00 C ATOM 1054 O HIS A 601 35.317 -4.016 -5.345 1.00 0.00 O ATOM 1055 CB HIS A 601 33.187 -3.954 -2.930 1.00 0.00 C ATOM 1056 CG HIS A 601 32.345 -3.763 -4.166 1.00 0.00 C ATOM 1057 ND1 HIS A 601 31.716 -4.787 -4.885 1.00 0.00 N ATOM 1058 CD2 HIS A 601 31.991 -2.561 -4.710 1.00 0.00 C ATOM 1059 CE1 HIS A 601 31.002 -4.175 -5.847 1.00 0.00 C ATOM 1060 NE2 HIS A 601 31.149 -2.839 -5.767 1.00 0.00 N ATOM 0 H HIS A 601 34.611 -4.517 -1.075 1.00 0.00 H new ATOM 0 HA HIS A 601 34.381 -5.629 -3.657 1.00 0.00 H new ATOM 0 HB2 HIS A 601 32.611 -4.523 -2.200 1.00 0.00 H new ATOM 0 HB3 HIS A 601 33.385 -2.977 -2.488 1.00 0.00 H new ATOM 0 HD2 HIS A 601 32.308 -1.584 -4.378 1.00 0.00 H new ATOM 0 HE1 HIS A 601 30.395 -4.684 -6.581 1.00 0.00 H new ATOM 0 HE2 HIS A 601 30.713 -2.151 -6.382 1.00 0.00 H new ATOM 1068 N GLU A 602 36.318 -3.024 -3.595 1.00 0.00 N ATOM 1069 CA GLU A 602 37.254 -2.172 -4.355 1.00 0.00 C ATOM 1070 C GLU A 602 38.733 -2.617 -4.267 1.00 0.00 C ATOM 1071 O GLU A 602 39.584 -2.077 -4.979 1.00 0.00 O ATOM 1072 CB GLU A 602 37.090 -0.713 -3.886 1.00 0.00 C ATOM 1073 CG GLU A 602 35.767 -0.068 -4.336 1.00 0.00 C ATOM 1074 CD GLU A 602 35.723 0.197 -5.858 1.00 0.00 C ATOM 1075 OE1 GLU A 602 36.566 0.970 -6.375 1.00 0.00 O ATOM 1076 OE2 GLU A 602 34.832 -0.352 -6.549 1.00 0.00 O ATOM 0 H GLU A 602 36.421 -2.914 -2.586 1.00 0.00 H new ATOM 0 HA GLU A 602 36.995 -2.271 -5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 602 37.149 -0.681 -2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 602 37.922 -0.121 -4.268 1.00 0.00 H new ATOM 0 HG2 GLU A 602 34.937 -0.719 -4.060 1.00 0.00 H new ATOM 0 HG3 GLU A 602 35.626 0.872 -3.803 1.00 0.00 H new ATOM 1083 N THR A 603 39.065 -3.594 -3.415 1.00 0.00 N ATOM 1084 CA THR A 603 40.448 -4.027 -3.135 1.00 0.00 C ATOM 1085 C THR A 603 41.124 -4.690 -4.337 1.00 0.00 C ATOM 1086 O THR A 603 42.319 -4.489 -4.551 1.00 0.00 O ATOM 1087 CB THR A 603 40.465 -4.979 -1.921 1.00 0.00 C ATOM 1088 OG1 THR A 603 40.178 -4.239 -0.762 1.00 0.00 O ATOM 1089 CG2 THR A 603 41.800 -5.673 -1.633 1.00 0.00 C ATOM 0 H THR A 603 38.368 -4.120 -2.887 1.00 0.00 H new ATOM 0 HA THR A 603 41.023 -3.128 -2.911 1.00 0.00 H new ATOM 0 HB THR A 603 39.735 -5.748 -2.173 1.00 0.00 H new ATOM 0 HG1 THR A 603 39.327 -3.766 -0.878 1.00 0.00 H new ATOM 0 HG21 THR A 603 41.695 -6.317 -0.760 1.00 0.00 H new ATOM 0 HG22 THR A 603 42.090 -6.275 -2.494 1.00 0.00 H new ATOM 0 HG23 THR A 603 42.566 -4.922 -1.440 1.00 0.00 H new ATOM 1097 N SER A 604 40.377 -5.466 -5.131 1.00 0.00 N ATOM 1098 CA SER A 604 40.888 -6.160 -6.323 1.00 0.00 C ATOM 1099 C SER A 604 39.793 -6.390 -7.380 1.00 0.00 C ATOM 1100 O SER A 604 38.600 -6.237 -7.100 1.00 0.00 O ATOM 1101 CB SER A 604 41.538 -7.485 -5.901 1.00 0.00 C ATOM 1102 OG SER A 604 42.260 -8.064 -6.978 1.00 0.00 O ATOM 0 H SER A 604 39.385 -5.633 -4.962 1.00 0.00 H new ATOM 0 HA SER A 604 41.637 -5.522 -6.793 1.00 0.00 H new ATOM 0 HB2 SER A 604 42.209 -7.313 -5.060 1.00 0.00 H new ATOM 0 HB3 SER A 604 40.770 -8.178 -5.559 1.00 0.00 H new ATOM 0 HG SER A 604 42.666 -8.906 -6.684 1.00 0.00 H new ATOM 1108 N GLN A 605 40.194 -6.755 -8.600 1.00 0.00 N ATOM 1109 CA GLN A 605 39.296 -7.130 -9.700 1.00 0.00 C ATOM 1110 C GLN A 605 38.425 -8.355 -9.358 1.00 0.00 C ATOM 1111 O GLN A 605 38.832 -9.228 -8.584 1.00 0.00 O ATOM 1112 CB GLN A 605 40.110 -7.338 -10.991 1.00 0.00 C ATOM 1113 CG GLN A 605 41.132 -8.491 -10.936 1.00 0.00 C ATOM 1114 CD GLN A 605 42.022 -8.545 -12.181 1.00 0.00 C ATOM 1115 OE1 GLN A 605 41.609 -8.275 -13.304 1.00 0.00 O ATOM 1116 NE2 GLN A 605 43.285 -8.899 -12.044 1.00 0.00 N ATOM 0 H GLN A 605 41.179 -6.800 -8.859 1.00 0.00 H new ATOM 0 HA GLN A 605 38.597 -6.310 -9.861 1.00 0.00 H new ATOM 0 HB2 GLN A 605 39.419 -7.524 -11.813 1.00 0.00 H new ATOM 0 HB3 GLN A 605 40.639 -6.414 -11.222 1.00 0.00 H new ATOM 0 HG2 GLN A 605 41.758 -8.376 -10.051 1.00 0.00 H new ATOM 0 HG3 GLN A 605 40.602 -9.438 -10.831 1.00 0.00 H new ATOM 0 HE21 GLN A 605 43.653 -9.128 -11.121 1.00 0.00 H new ATOM 0 HE22 GLN A 605 43.894 -8.943 -12.861 1.00 0.00 H new ATOM 1125 N ASN A 606 37.216 -8.414 -9.926 1.00 0.00 N ATOM 1126 CA ASN A 606 36.218 -9.447 -9.620 1.00 0.00 C ATOM 1127 C ASN A 606 36.500 -10.774 -10.358 1.00 0.00 C ATOM 1128 O ASN A 606 37.208 -11.634 -9.827 1.00 0.00 O ATOM 1129 CB ASN A 606 34.796 -8.885 -9.844 1.00 0.00 C ATOM 1130 CG ASN A 606 34.515 -7.642 -9.018 1.00 0.00 C ATOM 1131 OD1 ASN A 606 34.553 -6.522 -9.508 1.00 0.00 O ATOM 1132 ND2 ASN A 606 34.239 -7.790 -7.742 1.00 0.00 N ATOM 0 H ASN A 606 36.898 -7.738 -10.620 1.00 0.00 H new ATOM 0 HA ASN A 606 36.292 -9.711 -8.565 1.00 0.00 H new ATOM 0 HB2 ASN A 606 34.666 -8.650 -10.900 1.00 0.00 H new ATOM 0 HB3 ASN A 606 34.064 -9.653 -9.596 1.00 0.00 H new ATOM 0 HD21 ASN A 606 34.057 -6.971 -7.161 1.00 0.00 H new ATOM 0 HD22 ASN A 606 34.207 -8.723 -7.332 1.00 0.00 H new ATOM 1139 N SER A 607 35.974 -10.940 -11.579 1.00 0.00 N ATOM 1140 CA SER A 607 36.062 -12.178 -12.389 1.00 0.00 C ATOM 1141 C SER A 607 35.562 -13.442 -11.647 1.00 0.00 C ATOM 1142 O SER A 607 34.844 -13.344 -10.646 1.00 0.00 O ATOM 1143 CB SER A 607 37.486 -12.336 -12.961 1.00 0.00 C ATOM 1144 OG SER A 607 37.851 -11.194 -13.723 1.00 0.00 O ATOM 0 H SER A 607 35.458 -10.198 -12.051 1.00 0.00 H new ATOM 0 HA SER A 607 35.371 -12.072 -13.225 1.00 0.00 H new ATOM 0 HB2 SER A 607 38.197 -12.478 -12.147 1.00 0.00 H new ATOM 0 HB3 SER A 607 37.535 -13.227 -13.586 1.00 0.00 H new ATOM 0 HG SER A 607 38.758 -11.312 -14.076 1.00 0.00 H new ATOM 1150 N SER A 608 35.896 -14.636 -12.159 1.00 0.00 N ATOM 1151 CA SER A 608 35.561 -15.961 -11.595 1.00 0.00 C ATOM 1152 C SER A 608 36.632 -17.028 -11.885 1.00 0.00 C ATOM 1153 O SER A 608 36.655 -18.046 -11.154 1.00 0.00 O ATOM 1154 CB SER A 608 34.173 -16.406 -12.075 1.00 0.00 C ATOM 1155 OG SER A 608 34.129 -16.508 -13.493 1.00 0.00 O ATOM 1156 OXT SER A 608 37.473 -16.841 -12.800 1.00 0.00 O ATOM 0 H SER A 608 36.435 -14.712 -13.022 1.00 0.00 H new ATOM 0 HA SER A 608 35.539 -15.854 -10.510 1.00 0.00 H new ATOM 0 HB2 SER A 608 33.923 -17.369 -11.630 1.00 0.00 H new ATOM 0 HB3 SER A 608 33.422 -15.693 -11.735 1.00 0.00 H new ATOM 0 HG SER A 608 33.235 -16.795 -13.773 1.00 0.00 H new TER 1162 SER A 608 HETATM 1163 ZN ZN A 701 38.613 -1.241 5.699 1.00 0.00 ZN