USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=22 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= 0.384 K(o=0.98,f=-1.3) USER MOD Set 1.2: A 598 THR OG1 : rot 170:sc= 0.601 USER MOD Set 2.1: A 563 LYS NZ :NH3+ -162:sc= 0.833 (180deg=0) USER MOD Set 2.2: A 570 THR OG1 : rot 180:sc= 0.731 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 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 180:sc= 0.122 USER MOD Single : A 558 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 560 MET CE :methyl 151:sc= -0.164 (180deg=-1.17) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=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 106:sc= 0.635 USER MOD Single : A 585 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 THR OG1 : rot 63:sc= 0.264 USER MOD Single : A 591 ASN : amide:sc= -0.0219 X(o=-0.022,f=-0.43) USER MOD Single : A 593 LYS NZ :NH3+ -162:sc= 0.528 (180deg=0.466) USER MOD Single : A 594 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 SER OG : rot 180: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=-0.02) USER MOD Single : A 603 THR OG1 : rot 180:sc= 0 USER MOD Single : A 604 SER OG : rot 180:sc= 0 USER MOD Single : A 605 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 606 ASN : amide:sc= 0 X(o=0,f=0) 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 19.087 16.839 -4.333 1.00 0.00 N ATOM 2 CA GLY A 533 19.962 16.651 -5.512 1.00 0.00 C ATOM 3 C GLY A 533 19.721 15.306 -6.185 1.00 0.00 C ATOM 4 O GLY A 533 19.440 14.312 -5.509 1.00 0.00 O ATOM 0 HA2 GLY A 533 19.784 17.453 -6.228 1.00 0.00 H new ATOM 0 HA3 GLY A 533 21.006 16.723 -5.206 1.00 0.00 H new ATOM 10 N GLY A 534 19.838 15.256 -7.517 1.00 0.00 N ATOM 11 CA GLY A 534 19.632 14.042 -8.323 1.00 0.00 C ATOM 12 C GLY A 534 19.846 14.286 -9.820 1.00 0.00 C ATOM 13 O GLY A 534 18.887 14.499 -10.566 1.00 0.00 O ATOM 0 H GLY A 534 20.083 16.072 -8.078 1.00 0.00 H new ATOM 0 HA2 GLY A 534 20.317 13.265 -7.984 1.00 0.00 H new ATOM 0 HA3 GLY A 534 18.621 13.669 -8.160 1.00 0.00 H new ATOM 17 N SER A 535 21.109 14.278 -10.260 1.00 0.00 N ATOM 18 CA SER A 535 21.499 14.523 -11.660 1.00 0.00 C ATOM 19 C SER A 535 21.027 13.410 -12.617 1.00 0.00 C ATOM 20 O SER A 535 20.621 13.678 -13.751 1.00 0.00 O ATOM 21 CB SER A 535 23.024 14.685 -11.725 1.00 0.00 C ATOM 22 OG SER A 535 23.479 14.976 -13.038 1.00 0.00 O ATOM 0 H SER A 535 21.904 14.099 -9.647 1.00 0.00 H new ATOM 0 HA SER A 535 21.006 15.436 -11.995 1.00 0.00 H new ATOM 0 HB2 SER A 535 23.331 15.484 -11.051 1.00 0.00 H new ATOM 0 HB3 SER A 535 23.500 13.770 -11.372 1.00 0.00 H new ATOM 0 HG SER A 535 24.454 15.072 -13.032 1.00 0.00 H new ATOM 28 N GLU A 536 21.024 12.160 -12.144 1.00 0.00 N ATOM 29 CA GLU A 536 20.488 10.982 -12.840 1.00 0.00 C ATOM 30 C GLU A 536 19.996 9.928 -11.824 1.00 0.00 C ATOM 31 O GLU A 536 20.564 9.789 -10.736 1.00 0.00 O ATOM 32 CB GLU A 536 21.562 10.416 -13.789 1.00 0.00 C ATOM 33 CG GLU A 536 21.113 9.221 -14.643 1.00 0.00 C ATOM 34 CD GLU A 536 19.926 9.564 -15.566 1.00 0.00 C ATOM 35 OE1 GLU A 536 18.760 9.401 -15.132 1.00 0.00 O ATOM 36 OE2 GLU A 536 20.152 9.991 -16.725 1.00 0.00 O ATOM 0 H GLU A 536 21.410 11.930 -11.228 1.00 0.00 H new ATOM 0 HA GLU A 536 19.624 11.270 -13.439 1.00 0.00 H new ATOM 0 HB2 GLU A 536 21.894 11.213 -14.454 1.00 0.00 H new ATOM 0 HB3 GLU A 536 22.426 10.115 -13.196 1.00 0.00 H new ATOM 0 HG2 GLU A 536 21.951 8.876 -15.248 1.00 0.00 H new ATOM 0 HG3 GLU A 536 20.833 8.396 -13.988 1.00 0.00 H new ATOM 43 N PHE A 537 18.925 9.204 -12.160 1.00 0.00 N ATOM 44 CA PHE A 537 18.204 8.298 -11.251 1.00 0.00 C ATOM 45 C PHE A 537 18.676 6.827 -11.289 1.00 0.00 C ATOM 46 O PHE A 537 18.164 5.997 -10.534 1.00 0.00 O ATOM 47 CB PHE A 537 16.698 8.412 -11.534 1.00 0.00 C ATOM 48 CG PHE A 537 16.150 9.823 -11.396 1.00 0.00 C ATOM 49 CD1 PHE A 537 15.889 10.353 -10.117 1.00 0.00 C ATOM 50 CD2 PHE A 537 15.929 10.617 -12.539 1.00 0.00 C ATOM 51 CE1 PHE A 537 15.418 11.672 -9.981 1.00 0.00 C ATOM 52 CE2 PHE A 537 15.457 11.935 -12.402 1.00 0.00 C ATOM 53 CZ PHE A 537 15.208 12.464 -11.123 1.00 0.00 C ATOM 0 H PHE A 537 18.522 9.230 -13.096 1.00 0.00 H new ATOM 0 HA PHE A 537 18.431 8.620 -10.235 1.00 0.00 H new ATOM 0 HB2 PHE A 537 16.500 8.053 -12.544 1.00 0.00 H new ATOM 0 HB3 PHE A 537 16.159 7.755 -10.851 1.00 0.00 H new ATOM 0 HD1 PHE A 537 16.051 9.746 -9.239 1.00 0.00 H new ATOM 0 HD2 PHE A 537 16.122 10.213 -13.522 1.00 0.00 H new ATOM 0 HE1 PHE A 537 15.218 12.076 -8.999 1.00 0.00 H new ATOM 0 HE2 PHE A 537 15.286 12.541 -13.279 1.00 0.00 H new ATOM 0 HZ PHE A 537 14.855 13.479 -11.018 1.00 0.00 H new ATOM 63 N SER A 538 19.641 6.483 -12.152 1.00 0.00 N ATOM 64 CA SER A 538 20.181 5.123 -12.305 1.00 0.00 C ATOM 65 C SER A 538 21.629 5.119 -12.825 1.00 0.00 C ATOM 66 O SER A 538 22.004 5.948 -13.658 1.00 0.00 O ATOM 67 CB SER A 538 19.279 4.315 -13.247 1.00 0.00 C ATOM 68 OG SER A 538 19.700 2.963 -13.326 1.00 0.00 O ATOM 0 H SER A 538 20.079 7.158 -12.779 1.00 0.00 H new ATOM 0 HA SER A 538 20.197 4.663 -11.317 1.00 0.00 H new ATOM 0 HB2 SER A 538 18.249 4.358 -12.894 1.00 0.00 H new ATOM 0 HB3 SER A 538 19.294 4.762 -14.241 1.00 0.00 H new ATOM 0 HG SER A 538 19.107 2.471 -13.931 1.00 0.00 H new ATOM 74 N ASP A 539 22.438 4.169 -12.351 1.00 0.00 N ATOM 75 CA ASP A 539 23.801 3.876 -12.822 1.00 0.00 C ATOM 76 C ASP A 539 24.153 2.390 -12.573 1.00 0.00 C ATOM 77 O ASP A 539 23.432 1.680 -11.861 1.00 0.00 O ATOM 78 CB ASP A 539 24.825 4.823 -12.165 1.00 0.00 C ATOM 79 CG ASP A 539 25.031 4.553 -10.665 1.00 0.00 C ATOM 80 OD1 ASP A 539 24.392 5.229 -9.822 1.00 0.00 O ATOM 81 OD2 ASP A 539 25.868 3.678 -10.337 1.00 0.00 O ATOM 0 H ASP A 539 22.150 3.551 -11.592 1.00 0.00 H new ATOM 0 HA ASP A 539 23.842 4.050 -13.897 1.00 0.00 H new ATOM 0 HB2 ASP A 539 25.781 4.725 -12.679 1.00 0.00 H new ATOM 0 HB3 ASP A 539 24.495 5.853 -12.299 1.00 0.00 H new ATOM 86 N ARG A 540 25.249 1.905 -13.178 1.00 0.00 N ATOM 87 CA ARG A 540 25.630 0.476 -13.204 1.00 0.00 C ATOM 88 C ARG A 540 26.815 0.096 -12.298 1.00 0.00 C ATOM 89 O ARG A 540 27.346 -1.010 -12.418 1.00 0.00 O ATOM 90 CB ARG A 540 25.815 0.040 -14.678 1.00 0.00 C ATOM 91 CG ARG A 540 25.368 -1.403 -14.982 1.00 0.00 C ATOM 92 CD ARG A 540 23.847 -1.592 -14.854 1.00 0.00 C ATOM 93 NE ARG A 540 23.429 -2.945 -15.275 1.00 0.00 N ATOM 94 CZ ARG A 540 23.027 -3.326 -16.476 1.00 0.00 C ATOM 95 NH1 ARG A 540 22.973 -2.506 -17.487 1.00 0.00 N ATOM 96 NH2 ARG A 540 22.668 -4.560 -16.688 1.00 0.00 N ATOM 0 H ARG A 540 25.910 2.503 -13.673 1.00 0.00 H new ATOM 0 HA ARG A 540 24.813 -0.090 -12.757 1.00 0.00 H new ATOM 0 HB2 ARG A 540 25.255 0.722 -15.318 1.00 0.00 H new ATOM 0 HB3 ARG A 540 26.867 0.144 -14.945 1.00 0.00 H new ATOM 0 HG2 ARG A 540 25.680 -1.671 -15.992 1.00 0.00 H new ATOM 0 HG3 ARG A 540 25.874 -2.087 -14.300 1.00 0.00 H new ATOM 0 HD2 ARG A 540 23.545 -1.422 -13.821 1.00 0.00 H new ATOM 0 HD3 ARG A 540 23.335 -0.847 -15.462 1.00 0.00 H new ATOM 0 HE ARG A 540 23.453 -3.669 -14.557 1.00 0.00 H new ATOM 0 HH11 ARG A 540 23.247 -1.531 -17.368 1.00 0.00 H new ATOM 0 HH12 ARG A 540 22.657 -2.839 -18.398 1.00 0.00 H new ATOM 0 HH21 ARG A 540 22.696 -5.237 -15.926 1.00 0.00 H new ATOM 0 HH22 ARG A 540 22.359 -4.849 -17.616 1.00 0.00 H new ATOM 110 N SER A 541 27.255 0.982 -11.398 1.00 0.00 N ATOM 111 CA SER A 541 28.350 0.688 -10.458 1.00 0.00 C ATOM 112 C SER A 541 27.926 -0.328 -9.385 1.00 0.00 C ATOM 113 O SER A 541 26.905 -0.157 -8.713 1.00 0.00 O ATOM 114 CB SER A 541 28.864 1.967 -9.790 1.00 0.00 C ATOM 115 OG SER A 541 29.937 1.647 -8.918 1.00 0.00 O ATOM 0 H SER A 541 26.866 1.920 -11.298 1.00 0.00 H new ATOM 0 HA SER A 541 29.157 0.247 -11.043 1.00 0.00 H new ATOM 0 HB2 SER A 541 29.196 2.677 -10.547 1.00 0.00 H new ATOM 0 HB3 SER A 541 28.060 2.448 -9.233 1.00 0.00 H new ATOM 0 HG SER A 541 30.267 2.465 -8.492 1.00 0.00 H new ATOM 121 N ASN A 542 28.733 -1.377 -9.194 1.00 0.00 N ATOM 122 CA ASN A 542 28.502 -2.387 -8.154 1.00 0.00 C ATOM 123 C ASN A 542 28.867 -1.898 -6.739 1.00 0.00 C ATOM 124 O ASN A 542 28.370 -2.462 -5.764 1.00 0.00 O ATOM 125 CB ASN A 542 29.269 -3.673 -8.513 1.00 0.00 C ATOM 126 CG ASN A 542 28.841 -4.262 -9.847 1.00 0.00 C ATOM 127 OD1 ASN A 542 27.679 -4.566 -10.082 1.00 0.00 O ATOM 128 ND2 ASN A 542 29.764 -4.445 -10.767 1.00 0.00 N ATOM 0 H ASN A 542 29.566 -1.550 -9.757 1.00 0.00 H new ATOM 0 HA ASN A 542 27.432 -2.591 -8.126 1.00 0.00 H new ATOM 0 HB2 ASN A 542 30.337 -3.457 -8.542 1.00 0.00 H new ATOM 0 HB3 ASN A 542 29.115 -4.413 -7.728 1.00 0.00 H new ATOM 0 HD21 ASN A 542 29.510 -4.839 -11.673 1.00 0.00 H new ATOM 0 HD22 ASN A 542 30.733 -4.193 -10.574 1.00 0.00 H new ATOM 135 N GLU A 543 29.689 -0.849 -6.601 1.00 0.00 N ATOM 136 CA GLU A 543 30.158 -0.328 -5.300 1.00 0.00 C ATOM 137 C GLU A 543 29.008 0.157 -4.395 1.00 0.00 C ATOM 138 O GLU A 543 29.098 0.088 -3.166 1.00 0.00 O ATOM 139 CB GLU A 543 31.194 0.785 -5.540 1.00 0.00 C ATOM 140 CG GLU A 543 31.821 1.311 -4.237 1.00 0.00 C ATOM 141 CD GLU A 543 33.026 2.255 -4.445 1.00 0.00 C ATOM 142 OE1 GLU A 543 33.800 2.451 -3.475 1.00 0.00 O ATOM 143 OE2 GLU A 543 33.205 2.828 -5.547 1.00 0.00 O ATOM 0 H GLU A 543 30.055 -0.328 -7.398 1.00 0.00 H new ATOM 0 HA GLU A 543 30.627 -1.151 -4.760 1.00 0.00 H new ATOM 0 HB2 GLU A 543 31.983 0.406 -6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 543 30.717 1.611 -6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 543 31.056 1.838 -3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 543 32.140 0.462 -3.633 1.00 0.00 H new ATOM 150 N LEU A 544 27.897 0.598 -4.993 1.00 0.00 N ATOM 151 CA LEU A 544 26.680 0.982 -4.275 1.00 0.00 C ATOM 152 C LEU A 544 26.104 -0.177 -3.435 1.00 0.00 C ATOM 153 O LEU A 544 25.698 0.034 -2.294 1.00 0.00 O ATOM 154 CB LEU A 544 25.662 1.500 -5.309 1.00 0.00 C ATOM 155 CG LEU A 544 24.316 1.963 -4.720 1.00 0.00 C ATOM 156 CD1 LEU A 544 24.481 3.113 -3.723 1.00 0.00 C ATOM 157 CD2 LEU A 544 23.410 2.451 -5.849 1.00 0.00 C ATOM 0 H LEU A 544 27.818 0.699 -6.005 1.00 0.00 H new ATOM 0 HA LEU A 544 26.916 1.769 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 544 26.110 2.332 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 544 25.471 0.711 -6.036 1.00 0.00 H new ATOM 0 HG LEU A 544 23.885 1.109 -4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 544 23.504 3.403 -3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 544 25.116 2.791 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 544 24.940 3.965 -4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 544 22.457 2.779 -5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 544 23.888 3.284 -6.364 1.00 0.00 H new ATOM 0 HD23 LEU A 544 23.238 1.638 -6.555 1.00 0.00 H new ATOM 169 N GLU A 545 26.110 -1.398 -3.971 1.00 0.00 N ATOM 170 CA GLU A 545 25.487 -2.589 -3.369 1.00 0.00 C ATOM 171 C GLU A 545 26.277 -3.186 -2.189 1.00 0.00 C ATOM 172 O GLU A 545 25.723 -3.935 -1.377 1.00 0.00 O ATOM 173 CB GLU A 545 25.310 -3.665 -4.460 1.00 0.00 C ATOM 174 CG GLU A 545 24.534 -3.214 -5.712 1.00 0.00 C ATOM 175 CD GLU A 545 23.146 -2.606 -5.420 1.00 0.00 C ATOM 176 OE1 GLU A 545 22.761 -1.615 -6.089 1.00 0.00 O ATOM 177 OE2 GLU A 545 22.406 -3.132 -4.551 1.00 0.00 O ATOM 0 H GLU A 545 26.561 -1.597 -4.864 1.00 0.00 H new ATOM 0 HA GLU A 545 24.529 -2.267 -2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 545 26.296 -4.010 -4.769 1.00 0.00 H new ATOM 0 HB3 GLU A 545 24.795 -4.521 -4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 545 25.133 -2.479 -6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 545 24.409 -4.070 -6.375 1.00 0.00 H new ATOM 184 N ILE A 546 27.568 -2.863 -2.073 1.00 0.00 N ATOM 185 CA ILE A 546 28.520 -3.501 -1.148 1.00 0.00 C ATOM 186 C ILE A 546 28.157 -3.271 0.331 1.00 0.00 C ATOM 187 O ILE A 546 28.322 -4.155 1.174 1.00 0.00 O ATOM 188 CB ILE A 546 29.940 -2.971 -1.459 1.00 0.00 C ATOM 189 CG1 ILE A 546 30.395 -3.229 -2.911 1.00 0.00 C ATOM 190 CG2 ILE A 546 30.980 -3.573 -0.514 1.00 0.00 C ATOM 191 CD1 ILE A 546 30.646 -4.689 -3.308 1.00 0.00 C ATOM 0 H ILE A 546 27.997 -2.128 -2.636 1.00 0.00 H new ATOM 0 HA ILE A 546 28.478 -4.579 -1.301 1.00 0.00 H new ATOM 0 HB ILE A 546 29.872 -1.893 -1.314 1.00 0.00 H new ATOM 0 HG12 ILE A 546 29.639 -2.820 -3.582 1.00 0.00 H new ATOM 0 HG13 ILE A 546 31.313 -2.667 -3.084 1.00 0.00 H new ATOM 0 HG21 ILE A 546 31.966 -3.179 -0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 546 30.731 -3.312 0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 546 30.985 -4.658 -0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 546 30.960 -4.734 -4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 546 31.428 -5.109 -2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 546 29.729 -5.264 -3.180 1.00 0.00 H new ATOM 203 N ARG A 547 27.640 -2.080 0.652 1.00 0.00 N ATOM 204 CA ARG A 547 27.403 -1.594 2.028 1.00 0.00 C ATOM 205 C ARG A 547 26.271 -2.291 2.796 1.00 0.00 C ATOM 206 O ARG A 547 26.163 -2.110 4.009 1.00 0.00 O ATOM 207 CB ARG A 547 27.229 -0.063 1.981 1.00 0.00 C ATOM 208 CG ARG A 547 25.941 0.397 1.268 1.00 0.00 C ATOM 209 CD ARG A 547 26.072 1.814 0.701 1.00 0.00 C ATOM 210 NE ARG A 547 27.027 1.834 -0.425 1.00 0.00 N ATOM 211 CZ ARG A 547 28.070 2.625 -0.595 1.00 0.00 C ATOM 212 NH1 ARG A 547 28.294 3.654 0.172 1.00 0.00 N ATOM 213 NH2 ARG A 547 28.930 2.387 -1.543 1.00 0.00 N ATOM 0 H ARG A 547 27.364 -1.401 -0.057 1.00 0.00 H new ATOM 0 HA ARG A 547 28.281 -1.862 2.615 1.00 0.00 H new ATOM 0 HB2 ARG A 547 27.227 0.324 3.000 1.00 0.00 H new ATOM 0 HB3 ARG A 547 28.089 0.375 1.475 1.00 0.00 H new ATOM 0 HG2 ARG A 547 25.707 -0.296 0.460 1.00 0.00 H new ATOM 0 HG3 ARG A 547 25.107 0.363 1.969 1.00 0.00 H new ATOM 0 HD2 ARG A 547 25.098 2.169 0.366 1.00 0.00 H new ATOM 0 HD3 ARG A 547 26.408 2.495 1.483 1.00 0.00 H new ATOM 0 HE ARG A 547 26.860 1.151 -1.164 1.00 0.00 H new ATOM 0 HH11 ARG A 547 27.652 3.871 0.935 1.00 0.00 H new ATOM 0 HH12 ARG A 547 29.111 4.243 0.010 1.00 0.00 H new ATOM 0 HH21 ARG A 547 28.800 1.585 -2.160 1.00 0.00 H new ATOM 0 HH22 ARG A 547 29.734 3.002 -1.669 1.00 0.00 H new ATOM 227 N GLY A 548 25.456 -3.102 2.123 1.00 0.00 N ATOM 228 CA GLY A 548 24.359 -3.863 2.743 1.00 0.00 C ATOM 229 C GLY A 548 24.799 -5.121 3.512 1.00 0.00 C ATOM 230 O GLY A 548 24.005 -5.674 4.274 1.00 0.00 O ATOM 0 H GLY A 548 25.536 -3.255 1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 548 23.821 -3.206 3.427 1.00 0.00 H new ATOM 0 HA3 GLY A 548 23.655 -4.158 1.965 1.00 0.00 H new ATOM 234 N LYS A 549 26.041 -5.593 3.324 1.00 0.00 N ATOM 235 CA LYS A 549 26.577 -6.821 3.946 1.00 0.00 C ATOM 236 C LYS A 549 26.840 -6.679 5.453 1.00 0.00 C ATOM 237 O LYS A 549 27.274 -5.627 5.924 1.00 0.00 O ATOM 238 CB LYS A 549 27.871 -7.245 3.220 1.00 0.00 C ATOM 239 CG LYS A 549 27.711 -7.543 1.718 1.00 0.00 C ATOM 240 CD LYS A 549 26.722 -8.675 1.414 1.00 0.00 C ATOM 241 CE LYS A 549 26.735 -8.964 -0.097 1.00 0.00 C ATOM 242 NZ LYS A 549 25.793 -10.056 -0.451 1.00 0.00 N ATOM 0 H LYS A 549 26.718 -5.124 2.723 1.00 0.00 H new ATOM 0 HA LYS A 549 25.811 -7.589 3.840 1.00 0.00 H new ATOM 0 HB2 LYS A 549 28.612 -6.455 3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 549 28.269 -8.133 3.710 1.00 0.00 H new ATOM 0 HG2 LYS A 549 27.379 -6.637 1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 549 28.685 -7.802 1.303 1.00 0.00 H new ATOM 0 HD2 LYS A 549 26.995 -9.572 1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 549 25.719 -8.394 1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 549 26.467 -8.060 -0.644 1.00 0.00 H new ATOM 0 HE3 LYS A 549 27.743 -9.237 -0.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 549 25.827 -10.225 -1.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 549 26.064 -10.925 0.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 549 24.827 -9.784 -0.177 1.00 0.00 H new ATOM 256 N TYR A 550 26.658 -7.776 6.193 1.00 0.00 N ATOM 257 CA TYR A 550 27.052 -7.934 7.598 1.00 0.00 C ATOM 258 C TYR A 550 27.282 -9.409 7.961 1.00 0.00 C ATOM 259 O TYR A 550 26.831 -10.320 7.263 1.00 0.00 O ATOM 260 CB TYR A 550 26.013 -7.309 8.557 1.00 0.00 C ATOM 261 CG TYR A 550 24.607 -7.864 8.451 1.00 0.00 C ATOM 262 CD1 TYR A 550 23.676 -7.262 7.580 1.00 0.00 C ATOM 263 CD2 TYR A 550 24.224 -8.978 9.226 1.00 0.00 C ATOM 264 CE1 TYR A 550 22.371 -7.790 7.467 1.00 0.00 C ATOM 265 CE2 TYR A 550 22.920 -9.505 9.116 1.00 0.00 C ATOM 266 CZ TYR A 550 21.988 -8.909 8.234 1.00 0.00 C ATOM 267 OH TYR A 550 20.726 -9.405 8.124 1.00 0.00 O ATOM 0 H TYR A 550 26.214 -8.613 5.815 1.00 0.00 H new ATOM 0 HA TYR A 550 27.995 -7.400 7.718 1.00 0.00 H new ATOM 0 HB2 TYR A 550 26.362 -7.445 9.581 1.00 0.00 H new ATOM 0 HB3 TYR A 550 25.975 -6.235 8.373 1.00 0.00 H new ATOM 0 HD1 TYR A 550 23.961 -6.397 6.999 1.00 0.00 H new ATOM 0 HD2 TYR A 550 24.931 -9.429 9.906 1.00 0.00 H new ATOM 0 HE1 TYR A 550 21.663 -7.334 6.790 1.00 0.00 H new ATOM 0 HE2 TYR A 550 22.633 -10.364 9.705 1.00 0.00 H new ATOM 0 HH TYR A 550 20.625 -10.177 8.719 1.00 0.00 H new ATOM 277 N VAL A 551 27.979 -9.629 9.076 1.00 0.00 N ATOM 278 CA VAL A 551 28.289 -10.953 9.658 1.00 0.00 C ATOM 279 C VAL A 551 28.038 -10.941 11.171 1.00 0.00 C ATOM 280 O VAL A 551 28.364 -9.968 11.840 1.00 0.00 O ATOM 281 CB VAL A 551 29.727 -11.409 9.316 1.00 0.00 C ATOM 282 CG1 VAL A 551 29.788 -12.077 7.940 1.00 0.00 C ATOM 283 CG2 VAL A 551 30.784 -10.301 9.326 1.00 0.00 C ATOM 0 H VAL A 551 28.363 -8.863 9.628 1.00 0.00 H new ATOM 0 HA VAL A 551 27.618 -11.686 9.210 1.00 0.00 H new ATOM 0 HB VAL A 551 29.966 -12.106 10.120 1.00 0.00 H new ATOM 0 HG11 VAL A 551 30.812 -12.386 7.730 1.00 0.00 H new ATOM 0 HG12 VAL A 551 29.137 -12.951 7.931 1.00 0.00 H new ATOM 0 HG13 VAL A 551 29.459 -11.371 7.178 1.00 0.00 H new ATOM 0 HG21 VAL A 551 31.757 -10.724 9.074 1.00 0.00 H new ATOM 0 HG22 VAL A 551 30.519 -9.539 8.593 1.00 0.00 H new ATOM 0 HG23 VAL A 551 30.830 -9.851 10.318 1.00 0.00 H new ATOM 293 N VAL A 552 27.430 -12.000 11.717 1.00 0.00 N ATOM 294 CA VAL A 552 27.111 -12.110 13.156 1.00 0.00 C ATOM 295 C VAL A 552 28.410 -12.239 13.974 1.00 0.00 C ATOM 296 O VAL A 552 29.268 -13.063 13.665 1.00 0.00 O ATOM 297 CB VAL A 552 26.127 -13.265 13.433 1.00 0.00 C ATOM 298 CG1 VAL A 552 26.001 -13.645 14.914 1.00 0.00 C ATOM 299 CG2 VAL A 552 24.725 -12.914 12.920 1.00 0.00 C ATOM 0 H VAL A 552 27.141 -12.814 11.174 1.00 0.00 H new ATOM 0 HA VAL A 552 26.605 -11.198 13.472 1.00 0.00 H new ATOM 0 HB VAL A 552 26.547 -14.121 12.904 1.00 0.00 H new ATOM 0 HG11 VAL A 552 25.290 -14.464 15.020 1.00 0.00 H new ATOM 0 HG12 VAL A 552 26.974 -13.957 15.294 1.00 0.00 H new ATOM 0 HG13 VAL A 552 25.649 -12.784 15.482 1.00 0.00 H new ATOM 0 HG21 VAL A 552 24.045 -13.741 13.125 1.00 0.00 H new ATOM 0 HG22 VAL A 552 24.367 -12.017 13.425 1.00 0.00 H new ATOM 0 HG23 VAL A 552 24.765 -12.735 11.846 1.00 0.00 H new ATOM 309 N VAL A 553 28.526 -11.445 15.042 1.00 0.00 N ATOM 310 CA VAL A 553 29.601 -11.558 16.044 1.00 0.00 C ATOM 311 C VAL A 553 29.343 -12.799 16.925 1.00 0.00 C ATOM 312 O VAL A 553 28.261 -12.882 17.526 1.00 0.00 O ATOM 313 CB VAL A 553 29.703 -10.303 16.953 1.00 0.00 C ATOM 314 CG1 VAL A 553 30.963 -10.414 17.812 1.00 0.00 C ATOM 315 CG2 VAL A 553 29.780 -8.977 16.200 1.00 0.00 C ATOM 0 H VAL A 553 27.867 -10.692 15.242 1.00 0.00 H new ATOM 0 HA VAL A 553 30.543 -11.650 15.504 1.00 0.00 H new ATOM 0 HB VAL A 553 28.785 -10.289 17.540 1.00 0.00 H new ATOM 0 HG11 VAL A 553 31.044 -9.537 18.454 1.00 0.00 H new ATOM 0 HG12 VAL A 553 30.905 -11.311 18.428 1.00 0.00 H new ATOM 0 HG13 VAL A 553 31.839 -10.473 17.167 1.00 0.00 H new ATOM 0 HG21 VAL A 553 29.849 -8.156 16.914 1.00 0.00 H new ATOM 0 HG22 VAL A 553 30.661 -8.974 15.558 1.00 0.00 H new ATOM 0 HG23 VAL A 553 28.885 -8.853 15.590 1.00 0.00 H new ATOM 325 N PRO A 554 30.284 -13.758 17.032 1.00 0.00 N ATOM 326 CA PRO A 554 30.113 -14.938 17.886 1.00 0.00 C ATOM 327 C PRO A 554 30.178 -14.575 19.374 1.00 0.00 C ATOM 328 O PRO A 554 30.967 -13.719 19.781 1.00 0.00 O ATOM 329 CB PRO A 554 31.254 -15.876 17.478 1.00 0.00 C ATOM 330 CG PRO A 554 32.365 -14.917 17.048 1.00 0.00 C ATOM 331 CD PRO A 554 31.594 -13.778 16.388 1.00 0.00 C ATOM 0 HA PRO A 554 29.136 -15.402 17.754 1.00 0.00 H new ATOM 0 HB2 PRO A 554 31.569 -16.510 18.307 1.00 0.00 H new ATOM 0 HB3 PRO A 554 30.958 -16.539 16.665 1.00 0.00 H new ATOM 0 HG2 PRO A 554 32.950 -14.569 17.899 1.00 0.00 H new ATOM 0 HG3 PRO A 554 33.061 -15.389 16.354 1.00 0.00 H new ATOM 0 HD2 PRO A 554 32.110 -12.827 16.522 1.00 0.00 H new ATOM 0 HD3 PRO A 554 31.499 -13.941 15.314 1.00 0.00 H new ATOM 339 N GLU A 555 29.414 -15.277 20.220 1.00 0.00 N ATOM 340 CA GLU A 555 29.473 -15.116 21.684 1.00 0.00 C ATOM 341 C GLU A 555 30.844 -15.494 22.281 1.00 0.00 C ATOM 342 O GLU A 555 31.195 -15.064 23.380 1.00 0.00 O ATOM 343 CB GLU A 555 28.362 -15.931 22.367 1.00 0.00 C ATOM 344 CG GLU A 555 26.951 -15.409 22.041 1.00 0.00 C ATOM 345 CD GLU A 555 25.892 -15.974 23.016 1.00 0.00 C ATOM 346 OE1 GLU A 555 25.170 -15.176 23.666 1.00 0.00 O ATOM 347 OE2 GLU A 555 25.764 -17.216 23.137 1.00 0.00 O ATOM 0 H GLU A 555 28.736 -15.974 19.912 1.00 0.00 H new ATOM 0 HA GLU A 555 29.321 -14.054 21.879 1.00 0.00 H new ATOM 0 HB2 GLU A 555 28.439 -16.973 22.057 1.00 0.00 H new ATOM 0 HB3 GLU A 555 28.512 -15.908 23.446 1.00 0.00 H new ATOM 0 HG2 GLU A 555 26.946 -14.320 22.089 1.00 0.00 H new ATOM 0 HG3 GLU A 555 26.688 -15.684 21.019 1.00 0.00 H new ATOM 354 N THR A 556 31.648 -16.256 21.534 1.00 0.00 N ATOM 355 CA THR A 556 33.063 -16.531 21.830 1.00 0.00 C ATOM 356 C THR A 556 33.889 -15.238 21.910 1.00 0.00 C ATOM 357 O THR A 556 34.817 -15.141 22.714 1.00 0.00 O ATOM 358 CB THR A 556 33.652 -17.463 20.766 1.00 0.00 C ATOM 359 OG1 THR A 556 32.811 -18.583 20.560 1.00 0.00 O ATOM 360 CG2 THR A 556 35.053 -17.981 21.102 1.00 0.00 C ATOM 0 H THR A 556 31.326 -16.713 20.681 1.00 0.00 H new ATOM 0 HA THR A 556 33.109 -17.017 22.805 1.00 0.00 H new ATOM 0 HB THR A 556 33.726 -16.853 19.866 1.00 0.00 H new ATOM 0 HG1 THR A 556 33.203 -19.165 19.876 1.00 0.00 H new ATOM 0 HG21 THR A 556 35.401 -18.634 20.301 1.00 0.00 H new ATOM 0 HG22 THR A 556 35.737 -17.139 21.207 1.00 0.00 H new ATOM 0 HG23 THR A 556 35.020 -18.540 22.037 1.00 0.00 H new ATOM 368 N SER A 557 33.535 -14.213 21.121 1.00 0.00 N ATOM 369 CA SER A 557 34.126 -12.874 21.215 1.00 0.00 C ATOM 370 C SER A 557 33.475 -12.052 22.339 1.00 0.00 C ATOM 371 O SER A 557 32.377 -11.511 22.183 1.00 0.00 O ATOM 372 CB SER A 557 34.022 -12.126 19.880 1.00 0.00 C ATOM 373 OG SER A 557 34.775 -10.927 19.947 1.00 0.00 O ATOM 0 H SER A 557 32.824 -14.293 20.394 1.00 0.00 H new ATOM 0 HA SER A 557 35.181 -13.003 21.455 1.00 0.00 H new ATOM 0 HB2 SER A 557 34.391 -12.755 19.070 1.00 0.00 H new ATOM 0 HB3 SER A 557 32.979 -11.900 19.658 1.00 0.00 H new ATOM 0 HG SER A 557 34.709 -10.451 19.093 1.00 0.00 H new ATOM 379 N GLN A 558 34.157 -11.948 23.485 1.00 0.00 N ATOM 380 CA GLN A 558 33.719 -11.114 24.610 1.00 0.00 C ATOM 381 C GLN A 558 33.880 -9.609 24.318 1.00 0.00 C ATOM 382 O GLN A 558 33.105 -8.788 24.815 1.00 0.00 O ATOM 383 CB GLN A 558 34.497 -11.491 25.878 1.00 0.00 C ATOM 384 CG GLN A 558 34.223 -12.935 26.325 1.00 0.00 C ATOM 385 CD GLN A 558 34.920 -13.302 27.638 1.00 0.00 C ATOM 386 OE1 GLN A 558 35.989 -12.810 27.986 1.00 0.00 O ATOM 387 NE2 GLN A 558 34.360 -14.206 28.412 1.00 0.00 N ATOM 0 H GLN A 558 35.032 -12.442 23.659 1.00 0.00 H new ATOM 0 HA GLN A 558 32.656 -11.304 24.762 1.00 0.00 H new ATOM 0 HB2 GLN A 558 35.565 -11.366 25.697 1.00 0.00 H new ATOM 0 HB3 GLN A 558 34.228 -10.807 26.683 1.00 0.00 H new ATOM 0 HG2 GLN A 558 33.148 -13.075 26.440 1.00 0.00 H new ATOM 0 HG3 GLN A 558 34.552 -13.619 25.543 1.00 0.00 H new ATOM 0 HE21 GLN A 558 33.471 -14.628 28.143 1.00 0.00 H new ATOM 0 HE22 GLN A 558 34.814 -14.485 29.282 1.00 0.00 H new ATOM 396 N ASP A 559 34.878 -9.241 23.505 1.00 0.00 N ATOM 397 CA ASP A 559 35.200 -7.844 23.172 1.00 0.00 C ATOM 398 C ASP A 559 34.476 -7.331 21.910 1.00 0.00 C ATOM 399 O ASP A 559 34.352 -6.118 21.733 1.00 0.00 O ATOM 400 CB ASP A 559 36.724 -7.689 23.025 1.00 0.00 C ATOM 401 CG ASP A 559 37.552 -7.996 24.290 1.00 0.00 C ATOM 402 OD1 ASP A 559 38.776 -8.241 24.151 1.00 0.00 O ATOM 403 OD2 ASP A 559 37.020 -7.971 25.425 1.00 0.00 O ATOM 0 H ASP A 559 35.495 -9.915 23.052 1.00 0.00 H new ATOM 0 HA ASP A 559 34.838 -7.227 23.994 1.00 0.00 H new ATOM 0 HB2 ASP A 559 37.062 -8.346 22.223 1.00 0.00 H new ATOM 0 HB3 ASP A 559 36.938 -6.667 22.712 1.00 0.00 H new ATOM 408 N MET A 560 33.987 -8.225 21.039 1.00 0.00 N ATOM 409 CA MET A 560 33.252 -7.911 19.806 1.00 0.00 C ATOM 410 C MET A 560 33.991 -6.978 18.829 1.00 0.00 C ATOM 411 O MET A 560 33.361 -6.193 18.116 1.00 0.00 O ATOM 412 CB MET A 560 31.809 -7.466 20.116 1.00 0.00 C ATOM 413 CG MET A 560 31.092 -8.495 20.997 1.00 0.00 C ATOM 414 SD MET A 560 29.289 -8.339 21.015 1.00 0.00 S ATOM 415 CE MET A 560 28.831 -10.092 20.921 1.00 0.00 C ATOM 0 H MET A 560 34.098 -9.229 21.181 1.00 0.00 H new ATOM 0 HA MET A 560 33.192 -8.846 19.249 1.00 0.00 H new ATOM 0 HB2 MET A 560 31.823 -6.499 20.619 1.00 0.00 H new ATOM 0 HB3 MET A 560 31.258 -7.333 19.185 1.00 0.00 H new ATOM 0 HG2 MET A 560 31.354 -9.495 20.653 1.00 0.00 H new ATOM 0 HG3 MET A 560 31.463 -8.402 22.018 1.00 0.00 H new ATOM 0 HE1 MET A 560 27.872 -10.245 21.417 1.00 0.00 H new ATOM 0 HE2 MET A 560 28.751 -10.392 19.876 1.00 0.00 H new ATOM 0 HE3 MET A 560 29.594 -10.694 21.414 1.00 0.00 H new ATOM 425 N ALA A 561 35.323 -7.069 18.771 1.00 0.00 N ATOM 426 CA ALA A 561 36.170 -6.186 17.968 1.00 0.00 C ATOM 427 C ALA A 561 37.230 -6.943 17.146 1.00 0.00 C ATOM 428 O ALA A 561 37.903 -7.844 17.659 1.00 0.00 O ATOM 429 CB ALA A 561 36.795 -5.125 18.888 1.00 0.00 C ATOM 0 H ALA A 561 35.851 -7.771 19.290 1.00 0.00 H new ATOM 0 HA ALA A 561 35.544 -5.695 17.223 1.00 0.00 H new ATOM 0 HB1 ALA A 561 37.429 -4.461 18.300 1.00 0.00 H new ATOM 0 HB2 ALA A 561 36.004 -4.545 19.364 1.00 0.00 H new ATOM 0 HB3 ALA A 561 37.396 -5.616 19.654 1.00 0.00 H new ATOM 435 N PHE A 562 37.396 -6.537 15.882 1.00 0.00 N ATOM 436 CA PHE A 562 38.402 -7.035 14.932 1.00 0.00 C ATOM 437 C PHE A 562 38.917 -5.896 14.037 1.00 0.00 C ATOM 438 O PHE A 562 38.296 -4.835 13.941 1.00 0.00 O ATOM 439 CB PHE A 562 37.829 -8.205 14.109 1.00 0.00 C ATOM 440 CG PHE A 562 38.283 -9.572 14.588 1.00 0.00 C ATOM 441 CD1 PHE A 562 37.511 -10.292 15.517 1.00 0.00 C ATOM 442 CD2 PHE A 562 39.486 -10.125 14.100 1.00 0.00 C ATOM 443 CE1 PHE A 562 37.916 -11.570 15.934 1.00 0.00 C ATOM 444 CE2 PHE A 562 39.892 -11.405 14.525 1.00 0.00 C ATOM 445 CZ PHE A 562 39.101 -12.131 15.435 1.00 0.00 C ATOM 0 H PHE A 562 36.803 -5.816 15.472 1.00 0.00 H new ATOM 0 HA PHE A 562 39.258 -7.415 15.490 1.00 0.00 H new ATOM 0 HB2 PHE A 562 36.740 -8.162 14.143 1.00 0.00 H new ATOM 0 HB3 PHE A 562 38.121 -8.080 13.066 1.00 0.00 H new ATOM 0 HD1 PHE A 562 36.603 -9.860 15.911 1.00 0.00 H new ATOM 0 HD2 PHE A 562 40.094 -9.568 13.402 1.00 0.00 H new ATOM 0 HE1 PHE A 562 37.314 -12.122 16.640 1.00 0.00 H new ATOM 0 HE2 PHE A 562 40.812 -11.830 14.152 1.00 0.00 H new ATOM 0 HZ PHE A 562 39.406 -13.118 15.749 1.00 0.00 H new ATOM 455 N LYS A 563 40.080 -6.082 13.403 1.00 0.00 N ATOM 456 CA LYS A 563 40.774 -5.048 12.613 1.00 0.00 C ATOM 457 C LYS A 563 40.456 -5.105 11.106 1.00 0.00 C ATOM 458 O LYS A 563 40.089 -6.156 10.586 1.00 0.00 O ATOM 459 CB LYS A 563 42.296 -5.181 12.870 1.00 0.00 C ATOM 460 CG LYS A 563 43.071 -3.852 12.786 1.00 0.00 C ATOM 461 CD LYS A 563 42.837 -2.968 14.021 1.00 0.00 C ATOM 462 CE LYS A 563 43.311 -1.536 13.763 1.00 0.00 C ATOM 463 NZ LYS A 563 42.964 -0.640 14.896 1.00 0.00 N ATOM 0 H LYS A 563 40.578 -6.972 13.422 1.00 0.00 H new ATOM 0 HA LYS A 563 40.413 -4.073 12.940 1.00 0.00 H new ATOM 0 HB2 LYS A 563 42.449 -5.616 13.858 1.00 0.00 H new ATOM 0 HB3 LYS A 563 42.715 -5.879 12.146 1.00 0.00 H new ATOM 0 HG2 LYS A 563 44.136 -4.060 12.686 1.00 0.00 H new ATOM 0 HG3 LYS A 563 42.766 -3.311 11.890 1.00 0.00 H new ATOM 0 HD2 LYS A 563 41.777 -2.965 14.276 1.00 0.00 H new ATOM 0 HD3 LYS A 563 43.369 -3.383 14.877 1.00 0.00 H new ATOM 0 HE2 LYS A 563 44.390 -1.530 13.609 1.00 0.00 H new ATOM 0 HE3 LYS A 563 42.856 -1.160 12.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 43.013 0.351 14.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 42.000 -0.852 15.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 43.636 -0.790 15.676 1.00 0.00 H new ATOM 477 N CYS A 564 40.657 -3.979 10.421 1.00 0.00 N ATOM 478 CA CYS A 564 40.717 -3.839 8.973 1.00 0.00 C ATOM 479 C CYS A 564 42.183 -3.522 8.595 1.00 0.00 C ATOM 480 O CYS A 564 42.572 -2.352 8.690 1.00 0.00 O ATOM 481 CB CYS A 564 39.802 -2.701 8.487 1.00 0.00 C ATOM 482 SG CYS A 564 39.626 -2.844 6.668 1.00 0.00 S ATOM 0 H CYS A 564 40.790 -3.086 10.896 1.00 0.00 H new ATOM 0 HA CYS A 564 40.378 -4.761 8.501 1.00 0.00 H new ATOM 0 HB2 CYS A 564 38.827 -2.765 8.969 1.00 0.00 H new ATOM 0 HB3 CYS A 564 40.226 -1.733 8.753 1.00 0.00 H new ATOM 487 N PRO A 565 43.016 -4.505 8.202 1.00 0.00 N ATOM 488 CA PRO A 565 44.393 -4.249 7.780 1.00 0.00 C ATOM 489 C PRO A 565 44.548 -3.312 6.558 1.00 0.00 C ATOM 490 O PRO A 565 45.632 -2.773 6.341 1.00 0.00 O ATOM 491 CB PRO A 565 44.993 -5.628 7.489 1.00 0.00 C ATOM 492 CG PRO A 565 44.164 -6.583 8.344 1.00 0.00 C ATOM 493 CD PRO A 565 42.787 -5.931 8.413 1.00 0.00 C ATOM 0 HA PRO A 565 44.909 -3.709 8.574 1.00 0.00 H new ATOM 0 HB2 PRO A 565 44.923 -5.878 6.430 1.00 0.00 H new ATOM 0 HB3 PRO A 565 46.049 -5.668 7.757 1.00 0.00 H new ATOM 0 HG2 PRO A 565 44.112 -7.575 7.895 1.00 0.00 H new ATOM 0 HG3 PRO A 565 44.596 -6.705 9.337 1.00 0.00 H new ATOM 0 HD2 PRO A 565 42.122 -6.338 7.651 1.00 0.00 H new ATOM 0 HD3 PRO A 565 42.315 -6.113 9.378 1.00 0.00 H new ATOM 501 N ILE A 566 43.487 -3.098 5.771 1.00 0.00 N ATOM 502 CA ILE A 566 43.486 -2.233 4.574 1.00 0.00 C ATOM 503 C ILE A 566 43.542 -0.749 4.965 1.00 0.00 C ATOM 504 O ILE A 566 44.482 -0.048 4.577 1.00 0.00 O ATOM 505 CB ILE A 566 42.272 -2.539 3.662 1.00 0.00 C ATOM 506 CG1 ILE A 566 42.360 -3.982 3.102 1.00 0.00 C ATOM 507 CG2 ILE A 566 42.177 -1.534 2.495 1.00 0.00 C ATOM 508 CD1 ILE A 566 41.038 -4.529 2.544 1.00 0.00 C ATOM 0 H ILE A 566 42.580 -3.530 5.949 1.00 0.00 H new ATOM 0 HA ILE A 566 44.386 -2.454 4.000 1.00 0.00 H new ATOM 0 HB ILE A 566 41.374 -2.445 4.272 1.00 0.00 H new ATOM 0 HG12 ILE A 566 43.111 -4.007 2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 566 42.708 -4.645 3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 566 41.314 -1.777 1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 566 42.065 -0.525 2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 566 43.084 -1.589 1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 566 41.191 -5.543 2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 566 40.287 -4.541 3.334 1.00 0.00 H new ATOM 0 HD13 ILE A 566 40.696 -3.892 1.728 1.00 0.00 H new ATOM 520 N CYS A 567 42.572 -0.264 5.750 1.00 0.00 N ATOM 521 CA CYS A 567 42.486 1.135 6.191 1.00 0.00 C ATOM 522 C CYS A 567 42.959 1.366 7.652 1.00 0.00 C ATOM 523 O CYS A 567 42.940 2.497 8.151 1.00 0.00 O ATOM 524 CB CYS A 567 41.067 1.660 5.886 1.00 0.00 C ATOM 525 SG CYS A 567 39.836 1.046 7.076 1.00 0.00 S ATOM 0 H CYS A 567 41.810 -0.843 6.103 1.00 0.00 H new ATOM 0 HA CYS A 567 43.200 1.730 5.622 1.00 0.00 H new ATOM 0 HB2 CYS A 567 41.073 2.750 5.902 1.00 0.00 H new ATOM 0 HB3 CYS A 567 40.778 1.358 4.879 1.00 0.00 H new ATOM 530 N LYS A 568 43.413 0.290 8.313 1.00 0.00 N ATOM 531 CA LYS A 568 43.903 0.214 9.706 1.00 0.00 C ATOM 532 C LYS A 568 42.834 0.576 10.747 1.00 0.00 C ATOM 533 O LYS A 568 43.140 1.182 11.775 1.00 0.00 O ATOM 534 CB LYS A 568 45.249 0.957 9.857 1.00 0.00 C ATOM 535 CG LYS A 568 46.341 0.397 8.922 1.00 0.00 C ATOM 536 CD LYS A 568 47.692 1.107 9.089 1.00 0.00 C ATOM 537 CE LYS A 568 47.647 2.566 8.611 1.00 0.00 C ATOM 538 NZ LYS A 568 48.982 3.210 8.708 1.00 0.00 N ATOM 0 H LYS A 568 43.452 -0.621 7.856 1.00 0.00 H new ATOM 0 HA LYS A 568 44.116 -0.831 9.932 1.00 0.00 H new ATOM 0 HB2 LYS A 568 45.102 2.016 9.645 1.00 0.00 H new ATOM 0 HB3 LYS A 568 45.587 0.883 10.891 1.00 0.00 H new ATOM 0 HG2 LYS A 568 46.469 -0.668 9.118 1.00 0.00 H new ATOM 0 HG3 LYS A 568 46.011 0.493 7.888 1.00 0.00 H new ATOM 0 HD2 LYS A 568 47.987 1.080 10.138 1.00 0.00 H new ATOM 0 HD3 LYS A 568 48.455 0.567 8.529 1.00 0.00 H new ATOM 0 HE2 LYS A 568 47.298 2.602 7.579 1.00 0.00 H new ATOM 0 HE3 LYS A 568 46.928 3.125 9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 48.918 4.194 8.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 49.303 3.197 9.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 49.662 2.690 8.117 1.00 0.00 H new ATOM 552 N GLU A 569 41.574 0.199 10.501 1.00 0.00 N ATOM 553 CA GLU A 569 40.442 0.526 11.399 1.00 0.00 C ATOM 554 C GLU A 569 40.044 -0.653 12.297 1.00 0.00 C ATOM 555 O GLU A 569 40.547 -1.760 12.131 1.00 0.00 O ATOM 556 CB GLU A 569 39.237 1.026 10.586 1.00 0.00 C ATOM 557 CG GLU A 569 39.357 2.503 10.167 1.00 0.00 C ATOM 558 CD GLU A 569 39.346 3.501 11.346 1.00 0.00 C ATOM 559 OE1 GLU A 569 38.868 3.174 12.462 1.00 0.00 O ATOM 560 OE2 GLU A 569 39.812 4.650 11.158 1.00 0.00 O ATOM 0 H GLU A 569 41.303 -0.340 9.679 1.00 0.00 H new ATOM 0 HA GLU A 569 40.778 1.325 12.061 1.00 0.00 H new ATOM 0 HB2 GLU A 569 39.129 0.410 9.693 1.00 0.00 H new ATOM 0 HB3 GLU A 569 38.330 0.895 11.176 1.00 0.00 H new ATOM 0 HG2 GLU A 569 40.281 2.635 9.603 1.00 0.00 H new ATOM 0 HG3 GLU A 569 38.535 2.745 9.493 1.00 0.00 H new ATOM 567 N THR A 570 39.132 -0.427 13.243 1.00 0.00 N ATOM 568 CA THR A 570 38.527 -1.473 14.088 1.00 0.00 C ATOM 569 C THR A 570 37.012 -1.541 13.865 1.00 0.00 C ATOM 570 O THR A 570 36.300 -0.564 14.098 1.00 0.00 O ATOM 571 CB THR A 570 38.860 -1.232 15.570 1.00 0.00 C ATOM 572 OG1 THR A 570 40.253 -1.342 15.782 1.00 0.00 O ATOM 573 CG2 THR A 570 38.186 -2.222 16.526 1.00 0.00 C ATOM 0 H THR A 570 38.781 0.508 13.453 1.00 0.00 H new ATOM 0 HA THR A 570 38.950 -2.435 13.801 1.00 0.00 H new ATOM 0 HB THR A 570 38.486 -0.231 15.786 1.00 0.00 H new ATOM 0 HG1 THR A 570 40.453 -1.185 16.728 1.00 0.00 H new ATOM 0 HG21 THR A 570 38.469 -1.987 17.552 1.00 0.00 H new ATOM 0 HG22 THR A 570 37.103 -2.148 16.422 1.00 0.00 H new ATOM 0 HG23 THR A 570 38.505 -3.236 16.284 1.00 0.00 H new ATOM 581 N VAL A 571 36.504 -2.703 13.440 1.00 0.00 N ATOM 582 CA VAL A 571 35.067 -3.025 13.389 1.00 0.00 C ATOM 583 C VAL A 571 34.599 -3.500 14.759 1.00 0.00 C ATOM 584 O VAL A 571 35.101 -4.493 15.283 1.00 0.00 O ATOM 585 CB VAL A 571 34.698 -4.066 12.313 1.00 0.00 C ATOM 586 CG1 VAL A 571 34.564 -3.367 10.961 1.00 0.00 C ATOM 587 CG2 VAL A 571 35.672 -5.235 12.167 1.00 0.00 C ATOM 0 H VAL A 571 37.094 -3.468 13.113 1.00 0.00 H new ATOM 0 HA VAL A 571 34.554 -2.106 13.107 1.00 0.00 H new ATOM 0 HB VAL A 571 33.758 -4.504 12.650 1.00 0.00 H new ATOM 0 HG11 VAL A 571 34.303 -4.099 10.197 1.00 0.00 H new ATOM 0 HG12 VAL A 571 33.783 -2.609 11.019 1.00 0.00 H new ATOM 0 HG13 VAL A 571 35.511 -2.893 10.701 1.00 0.00 H new ATOM 0 HG21 VAL A 571 35.319 -5.907 11.385 1.00 0.00 H new ATOM 0 HG22 VAL A 571 36.659 -4.855 11.902 1.00 0.00 H new ATOM 0 HG23 VAL A 571 35.734 -5.777 13.111 1.00 0.00 H new ATOM 597 N THR A 572 33.617 -2.804 15.326 1.00 0.00 N ATOM 598 CA THR A 572 32.956 -3.161 16.592 1.00 0.00 C ATOM 599 C THR A 572 31.549 -3.716 16.347 1.00 0.00 C ATOM 600 O THR A 572 30.832 -3.247 15.463 1.00 0.00 O ATOM 601 CB THR A 572 32.903 -1.970 17.570 1.00 0.00 C ATOM 602 OG1 THR A 572 32.281 -0.843 16.988 1.00 0.00 O ATOM 603 CG2 THR A 572 34.302 -1.546 18.025 1.00 0.00 C ATOM 0 H THR A 572 33.244 -1.950 14.911 1.00 0.00 H new ATOM 0 HA THR A 572 33.559 -3.943 17.054 1.00 0.00 H new ATOM 0 HB THR A 572 32.323 -2.315 18.426 1.00 0.00 H new ATOM 0 HG1 THR A 572 32.263 -0.108 17.636 1.00 0.00 H new ATOM 0 HG21 THR A 572 34.221 -0.704 18.713 1.00 0.00 H new ATOM 0 HG22 THR A 572 34.789 -2.381 18.529 1.00 0.00 H new ATOM 0 HG23 THR A 572 34.893 -1.251 17.158 1.00 0.00 H new ATOM 611 N GLY A 573 31.151 -4.728 17.121 1.00 0.00 N ATOM 612 CA GLY A 573 29.836 -5.362 17.030 1.00 0.00 C ATOM 613 C GLY A 573 28.686 -4.435 17.421 1.00 0.00 C ATOM 614 O GLY A 573 28.825 -3.579 18.298 1.00 0.00 O ATOM 0 H GLY A 573 31.746 -5.137 17.842 1.00 0.00 H new ATOM 0 HA2 GLY A 573 29.680 -5.712 16.010 1.00 0.00 H new ATOM 0 HA3 GLY A 573 29.819 -6.241 17.675 1.00 0.00 H new ATOM 618 N VAL A 574 27.529 -4.638 16.791 1.00 0.00 N ATOM 619 CA VAL A 574 26.289 -3.874 17.003 1.00 0.00 C ATOM 620 C VAL A 574 25.094 -4.803 17.203 1.00 0.00 C ATOM 621 O VAL A 574 24.871 -5.701 16.396 1.00 0.00 O ATOM 622 CB VAL A 574 26.047 -2.891 15.833 1.00 0.00 C ATOM 623 CG1 VAL A 574 24.760 -2.083 16.020 1.00 0.00 C ATOM 624 CG2 VAL A 574 27.201 -1.892 15.676 1.00 0.00 C ATOM 0 H VAL A 574 27.420 -5.369 16.088 1.00 0.00 H new ATOM 0 HA VAL A 574 26.404 -3.290 17.916 1.00 0.00 H new ATOM 0 HB VAL A 574 25.969 -3.515 14.942 1.00 0.00 H new ATOM 0 HG11 VAL A 574 24.630 -1.406 15.176 1.00 0.00 H new ATOM 0 HG12 VAL A 574 23.909 -2.762 16.076 1.00 0.00 H new ATOM 0 HG13 VAL A 574 24.824 -1.505 16.942 1.00 0.00 H new ATOM 0 HG21 VAL A 574 26.990 -1.221 14.843 1.00 0.00 H new ATOM 0 HG22 VAL A 574 27.307 -1.311 16.592 1.00 0.00 H new ATOM 0 HG23 VAL A 574 28.127 -2.433 15.480 1.00 0.00 H new ATOM 634 N TYR A 575 24.307 -4.602 18.265 1.00 0.00 N ATOM 635 CA TYR A 575 23.193 -5.497 18.612 1.00 0.00 C ATOM 636 C TYR A 575 21.976 -5.324 17.693 1.00 0.00 C ATOM 637 O TYR A 575 21.420 -4.230 17.571 1.00 0.00 O ATOM 638 CB TYR A 575 22.791 -5.293 20.080 1.00 0.00 C ATOM 639 CG TYR A 575 21.749 -6.275 20.587 1.00 0.00 C ATOM 640 CD1 TYR A 575 20.533 -5.807 21.123 1.00 0.00 C ATOM 641 CD2 TYR A 575 22.019 -7.659 20.565 1.00 0.00 C ATOM 642 CE1 TYR A 575 19.594 -6.720 21.638 1.00 0.00 C ATOM 643 CE2 TYR A 575 21.083 -8.576 21.074 1.00 0.00 C ATOM 644 CZ TYR A 575 19.870 -8.105 21.613 1.00 0.00 C ATOM 645 OH TYR A 575 18.969 -8.995 22.126 1.00 0.00 O ATOM 0 H TYR A 575 24.422 -3.818 18.907 1.00 0.00 H new ATOM 0 HA TYR A 575 23.548 -6.517 18.467 1.00 0.00 H new ATOM 0 HB2 TYR A 575 23.682 -5.374 20.703 1.00 0.00 H new ATOM 0 HB3 TYR A 575 22.408 -4.280 20.202 1.00 0.00 H new ATOM 0 HD1 TYR A 575 20.322 -4.748 21.139 1.00 0.00 H new ATOM 0 HD2 TYR A 575 22.951 -8.017 20.154 1.00 0.00 H new ATOM 0 HE1 TYR A 575 18.663 -6.362 22.052 1.00 0.00 H new ATOM 0 HE2 TYR A 575 21.293 -9.635 21.052 1.00 0.00 H new ATOM 0 HH TYR A 575 19.316 -9.906 22.027 1.00 0.00 H new ATOM 655 N ASP A 576 21.525 -6.411 17.065 1.00 0.00 N ATOM 656 CA ASP A 576 20.253 -6.496 16.346 1.00 0.00 C ATOM 657 C ASP A 576 19.156 -6.971 17.315 1.00 0.00 C ATOM 658 O ASP A 576 19.111 -8.150 17.687 1.00 0.00 O ATOM 659 CB ASP A 576 20.389 -7.435 15.140 1.00 0.00 C ATOM 660 CG ASP A 576 19.161 -7.442 14.207 1.00 0.00 C ATOM 661 OD1 ASP A 576 19.230 -8.111 13.149 1.00 0.00 O ATOM 662 OD2 ASP A 576 18.120 -6.831 14.534 1.00 0.00 O ATOM 0 H ASP A 576 22.052 -7.284 17.042 1.00 0.00 H new ATOM 0 HA ASP A 576 19.974 -5.514 15.964 1.00 0.00 H new ATOM 0 HB2 ASP A 576 21.268 -7.145 14.564 1.00 0.00 H new ATOM 0 HB3 ASP A 576 20.564 -8.449 15.500 1.00 0.00 H new ATOM 667 N GLU A 577 18.271 -6.051 17.721 1.00 0.00 N ATOM 668 CA GLU A 577 17.180 -6.320 18.672 1.00 0.00 C ATOM 669 C GLU A 577 16.110 -7.286 18.121 1.00 0.00 C ATOM 670 O GLU A 577 15.449 -7.971 18.902 1.00 0.00 O ATOM 671 CB GLU A 577 16.501 -5.001 19.093 1.00 0.00 C ATOM 672 CG GLU A 577 17.430 -4.066 19.882 1.00 0.00 C ATOM 673 CD GLU A 577 16.803 -2.694 20.216 1.00 0.00 C ATOM 674 OE1 GLU A 577 17.531 -1.670 20.185 1.00 0.00 O ATOM 675 OE2 GLU A 577 15.586 -2.605 20.533 1.00 0.00 O ATOM 0 H GLU A 577 18.292 -5.085 17.395 1.00 0.00 H new ATOM 0 HA GLU A 577 17.642 -6.805 19.532 1.00 0.00 H new ATOM 0 HB2 GLU A 577 16.146 -4.483 18.202 1.00 0.00 H new ATOM 0 HB3 GLU A 577 15.625 -5.229 19.700 1.00 0.00 H new ATOM 0 HG2 GLU A 577 17.720 -4.557 20.811 1.00 0.00 H new ATOM 0 HG3 GLU A 577 18.342 -3.907 19.307 1.00 0.00 H new ATOM 682 N GLU A 578 15.932 -7.358 16.796 1.00 0.00 N ATOM 683 CA GLU A 578 14.932 -8.211 16.138 1.00 0.00 C ATOM 684 C GLU A 578 15.425 -9.664 15.994 1.00 0.00 C ATOM 685 O GLU A 578 14.690 -10.601 16.320 1.00 0.00 O ATOM 686 CB GLU A 578 14.545 -7.600 14.779 1.00 0.00 C ATOM 687 CG GLU A 578 13.446 -8.345 13.995 1.00 0.00 C ATOM 688 CD GLU A 578 12.009 -8.065 14.489 1.00 0.00 C ATOM 689 OE1 GLU A 578 11.772 -7.945 15.717 1.00 0.00 O ATOM 690 OE2 GLU A 578 11.089 -7.982 13.635 1.00 0.00 O ATOM 0 H GLU A 578 16.490 -6.814 16.137 1.00 0.00 H new ATOM 0 HA GLU A 578 14.042 -8.252 16.766 1.00 0.00 H new ATOM 0 HB2 GLU A 578 14.215 -6.574 14.944 1.00 0.00 H new ATOM 0 HB3 GLU A 578 15.439 -7.551 14.157 1.00 0.00 H new ATOM 0 HG2 GLU A 578 13.516 -8.068 12.943 1.00 0.00 H new ATOM 0 HG3 GLU A 578 13.636 -9.417 14.056 1.00 0.00 H new ATOM 697 N SER A 579 16.684 -9.859 15.566 1.00 0.00 N ATOM 698 CA SER A 579 17.325 -11.187 15.498 1.00 0.00 C ATOM 699 C SER A 579 17.789 -11.698 16.868 1.00 0.00 C ATOM 700 O SER A 579 17.875 -12.907 17.085 1.00 0.00 O ATOM 701 CB SER A 579 18.523 -11.178 14.551 1.00 0.00 C ATOM 702 OG SER A 579 18.156 -10.826 13.224 1.00 0.00 O ATOM 0 H SER A 579 17.289 -9.099 15.256 1.00 0.00 H new ATOM 0 HA SER A 579 16.556 -11.862 15.122 1.00 0.00 H new ATOM 0 HB2 SER A 579 19.269 -10.474 14.919 1.00 0.00 H new ATOM 0 HB3 SER A 579 18.989 -12.163 14.548 1.00 0.00 H new ATOM 0 HG SER A 579 18.453 -9.911 13.034 1.00 0.00 H new ATOM 708 N GLY A 580 18.088 -10.783 17.795 1.00 0.00 N ATOM 709 CA GLY A 580 18.617 -11.079 19.132 1.00 0.00 C ATOM 710 C GLY A 580 20.114 -11.436 19.135 1.00 0.00 C ATOM 711 O GLY A 580 20.556 -12.218 19.972 1.00 0.00 O ATOM 0 H GLY A 580 17.965 -9.784 17.631 1.00 0.00 H new ATOM 0 HA2 GLY A 580 18.456 -10.215 19.777 1.00 0.00 H new ATOM 0 HA3 GLY A 580 18.053 -11.907 19.562 1.00 0.00 H new ATOM 715 N GLU A 581 20.882 -10.903 18.181 1.00 0.00 N ATOM 716 CA GLU A 581 22.298 -11.229 17.930 1.00 0.00 C ATOM 717 C GLU A 581 23.110 -9.963 17.601 1.00 0.00 C ATOM 718 O GLU A 581 22.586 -9.008 17.035 1.00 0.00 O ATOM 719 CB GLU A 581 22.425 -12.232 16.767 1.00 0.00 C ATOM 720 CG GLU A 581 21.776 -13.609 16.997 1.00 0.00 C ATOM 721 CD GLU A 581 22.378 -14.425 18.162 1.00 0.00 C ATOM 722 OE1 GLU A 581 21.704 -15.379 18.627 1.00 0.00 O ATOM 723 OE2 GLU A 581 23.534 -14.180 18.579 1.00 0.00 O ATOM 0 H GLU A 581 20.524 -10.202 17.532 1.00 0.00 H new ATOM 0 HA GLU A 581 22.698 -11.677 18.840 1.00 0.00 H new ATOM 0 HB2 GLU A 581 21.981 -11.786 15.877 1.00 0.00 H new ATOM 0 HB3 GLU A 581 23.484 -12.381 16.554 1.00 0.00 H new ATOM 0 HG2 GLU A 581 20.712 -13.466 17.185 1.00 0.00 H new ATOM 0 HG3 GLU A 581 21.863 -14.193 16.081 1.00 0.00 H new ATOM 730 N TRP A 582 24.403 -9.955 17.923 1.00 0.00 N ATOM 731 CA TRP A 582 25.307 -8.866 17.535 1.00 0.00 C ATOM 732 C TRP A 582 25.850 -9.086 16.117 1.00 0.00 C ATOM 733 O TRP A 582 26.096 -10.221 15.714 1.00 0.00 O ATOM 734 CB TRP A 582 26.419 -8.737 18.583 1.00 0.00 C ATOM 735 CG TRP A 582 25.969 -8.313 19.958 1.00 0.00 C ATOM 736 CD1 TRP A 582 25.360 -9.116 20.864 1.00 0.00 C ATOM 737 CD2 TRP A 582 26.097 -7.011 20.614 1.00 0.00 C ATOM 738 NE1 TRP A 582 25.097 -8.408 22.022 1.00 0.00 N ATOM 739 CE2 TRP A 582 25.531 -7.105 21.922 1.00 0.00 C ATOM 740 CE3 TRP A 582 26.654 -5.766 20.248 1.00 0.00 C ATOM 741 CZ2 TRP A 582 25.495 -6.016 22.798 1.00 0.00 C ATOM 742 CZ3 TRP A 582 26.624 -4.664 21.123 1.00 0.00 C ATOM 743 CH2 TRP A 582 26.039 -4.785 22.395 1.00 0.00 C ATOM 0 H TRP A 582 24.854 -10.698 18.457 1.00 0.00 H new ATOM 0 HA TRP A 582 24.762 -7.923 17.507 1.00 0.00 H new ATOM 0 HB2 TRP A 582 26.929 -9.697 18.666 1.00 0.00 H new ATOM 0 HB3 TRP A 582 27.153 -8.017 18.222 1.00 0.00 H new ATOM 0 HD1 TRP A 582 25.116 -10.156 20.705 1.00 0.00 H new ATOM 0 HE1 TRP A 582 24.640 -8.801 22.845 1.00 0.00 H new ATOM 0 HE3 TRP A 582 27.113 -5.657 19.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 582 25.052 -6.120 23.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 582 27.052 -3.721 20.816 1.00 0.00 H new ATOM 0 HH2 TRP A 582 26.008 -3.935 23.060 1.00 0.00 H new ATOM 754 N VAL A 583 26.074 -8.010 15.361 1.00 0.00 N ATOM 755 CA VAL A 583 26.561 -8.019 13.965 1.00 0.00 C ATOM 756 C VAL A 583 27.696 -7.021 13.702 1.00 0.00 C ATOM 757 O VAL A 583 27.778 -5.973 14.336 1.00 0.00 O ATOM 758 CB VAL A 583 25.426 -7.793 12.939 1.00 0.00 C ATOM 759 CG1 VAL A 583 24.399 -8.928 12.947 1.00 0.00 C ATOM 760 CG2 VAL A 583 24.675 -6.471 13.127 1.00 0.00 C ATOM 0 H VAL A 583 25.917 -7.065 15.712 1.00 0.00 H new ATOM 0 HA VAL A 583 26.965 -9.022 13.828 1.00 0.00 H new ATOM 0 HB VAL A 583 25.944 -7.763 11.980 1.00 0.00 H new ATOM 0 HG11 VAL A 583 23.623 -8.722 12.210 1.00 0.00 H new ATOM 0 HG12 VAL A 583 24.893 -9.868 12.701 1.00 0.00 H new ATOM 0 HG13 VAL A 583 23.948 -9.004 13.936 1.00 0.00 H new ATOM 0 HG21 VAL A 583 23.895 -6.385 12.371 1.00 0.00 H new ATOM 0 HG22 VAL A 583 24.223 -6.447 14.119 1.00 0.00 H new ATOM 0 HG23 VAL A 583 25.372 -5.639 13.026 1.00 0.00 H new ATOM 770 N TRP A 584 28.551 -7.331 12.736 1.00 0.00 N ATOM 771 CA TRP A 584 29.604 -6.482 12.180 1.00 0.00 C ATOM 772 C TRP A 584 29.122 -6.007 10.806 1.00 0.00 C ATOM 773 O TRP A 584 29.005 -6.810 9.878 1.00 0.00 O ATOM 774 CB TRP A 584 30.896 -7.311 12.079 1.00 0.00 C ATOM 775 CG TRP A 584 31.780 -7.411 13.287 1.00 0.00 C ATOM 776 CD1 TRP A 584 32.192 -6.385 14.068 1.00 0.00 C ATOM 777 CD2 TRP A 584 32.444 -8.598 13.821 1.00 0.00 C ATOM 778 NE1 TRP A 584 33.011 -6.856 15.079 1.00 0.00 N ATOM 779 CE2 TRP A 584 33.210 -8.214 14.962 1.00 0.00 C ATOM 780 CE3 TRP A 584 32.437 -9.971 13.483 1.00 0.00 C ATOM 781 CZ2 TRP A 584 33.953 -9.137 15.721 1.00 0.00 C ATOM 782 CZ3 TRP A 584 33.169 -10.906 14.246 1.00 0.00 C ATOM 783 CH2 TRP A 584 33.932 -10.494 15.356 1.00 0.00 C ATOM 0 H TRP A 584 28.528 -8.246 12.287 1.00 0.00 H new ATOM 0 HA TRP A 584 29.813 -5.614 12.805 1.00 0.00 H new ATOM 0 HB2 TRP A 584 30.618 -8.324 11.787 1.00 0.00 H new ATOM 0 HB3 TRP A 584 31.492 -6.897 11.266 1.00 0.00 H new ATOM 0 HD1 TRP A 584 31.921 -5.350 13.923 1.00 0.00 H new ATOM 0 HE1 TRP A 584 33.414 -6.275 15.814 1.00 0.00 H new ATOM 0 HE3 TRP A 584 31.865 -10.308 12.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 584 34.531 -8.807 16.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 584 33.144 -11.951 13.975 1.00 0.00 H new ATOM 0 HH2 TRP A 584 34.498 -11.217 15.924 1.00 0.00 H new ATOM 794 N LYS A 585 28.763 -4.723 10.694 1.00 0.00 N ATOM 795 CA LYS A 585 28.172 -4.110 9.486 1.00 0.00 C ATOM 796 C LYS A 585 29.238 -3.625 8.487 1.00 0.00 C ATOM 797 O LYS A 585 30.348 -3.277 8.896 1.00 0.00 O ATOM 798 CB LYS A 585 27.184 -3.007 9.903 1.00 0.00 C ATOM 799 CG LYS A 585 25.980 -3.590 10.666 1.00 0.00 C ATOM 800 CD LYS A 585 24.908 -2.521 10.922 1.00 0.00 C ATOM 801 CE LYS A 585 23.696 -3.133 11.636 1.00 0.00 C ATOM 802 NZ LYS A 585 22.635 -2.116 11.865 1.00 0.00 N ATOM 0 H LYS A 585 28.876 -4.058 11.459 1.00 0.00 H new ATOM 0 HA LYS A 585 27.615 -4.873 8.943 1.00 0.00 H new ATOM 0 HB2 LYS A 585 27.695 -2.277 10.530 1.00 0.00 H new ATOM 0 HB3 LYS A 585 26.833 -2.477 9.018 1.00 0.00 H new ATOM 0 HG2 LYS A 585 25.548 -4.411 10.094 1.00 0.00 H new ATOM 0 HG3 LYS A 585 26.316 -4.005 11.616 1.00 0.00 H new ATOM 0 HD2 LYS A 585 25.326 -1.717 11.528 1.00 0.00 H new ATOM 0 HD3 LYS A 585 24.595 -2.078 9.976 1.00 0.00 H new ATOM 0 HE2 LYS A 585 23.295 -3.952 11.039 1.00 0.00 H new ATOM 0 HE3 LYS A 585 24.009 -3.557 12.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 585 21.828 -2.559 12.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 585 23.013 -1.347 12.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 585 22.321 -1.730 10.952 1.00 0.00 H new ATOM 816 N ASN A 586 28.915 -3.643 7.185 1.00 0.00 N ATOM 817 CA ASN A 586 29.841 -3.432 6.057 1.00 0.00 C ATOM 818 C ASN A 586 31.107 -4.322 6.138 1.00 0.00 C ATOM 819 O ASN A 586 32.197 -3.919 5.735 1.00 0.00 O ATOM 820 CB ASN A 586 30.123 -1.929 5.857 1.00 0.00 C ATOM 821 CG ASN A 586 30.889 -1.632 4.568 1.00 0.00 C ATOM 822 OD1 ASN A 586 30.725 -2.288 3.549 1.00 0.00 O ATOM 823 ND2 ASN A 586 31.752 -0.639 4.581 1.00 0.00 N ATOM 0 H ASN A 586 27.959 -3.812 6.873 1.00 0.00 H new ATOM 0 HA ASN A 586 29.348 -3.773 5.146 1.00 0.00 H new ATOM 0 HB2 ASN A 586 29.178 -1.386 5.845 1.00 0.00 H new ATOM 0 HB3 ASN A 586 30.694 -1.556 6.707 1.00 0.00 H new ATOM 0 HD21 ASN A 586 32.285 -0.416 3.741 1.00 0.00 H new ATOM 0 HD22 ASN A 586 31.888 -0.093 5.431 1.00 0.00 H new ATOM 830 N THR A 587 30.984 -5.532 6.690 1.00 0.00 N ATOM 831 CA THR A 587 32.114 -6.435 6.982 1.00 0.00 C ATOM 832 C THR A 587 32.072 -7.703 6.123 1.00 0.00 C ATOM 833 O THR A 587 30.997 -8.225 5.814 1.00 0.00 O ATOM 834 CB THR A 587 32.158 -6.776 8.479 1.00 0.00 C ATOM 835 OG1 THR A 587 32.335 -5.590 9.217 1.00 0.00 O ATOM 836 CG2 THR A 587 33.312 -7.692 8.874 1.00 0.00 C ATOM 0 H THR A 587 30.080 -5.925 6.954 1.00 0.00 H new ATOM 0 HA THR A 587 33.033 -5.909 6.722 1.00 0.00 H new ATOM 0 HB THR A 587 31.218 -7.287 8.690 1.00 0.00 H new ATOM 0 HG1 THR A 587 31.569 -4.996 9.070 1.00 0.00 H new ATOM 0 HG21 THR A 587 33.273 -7.885 9.946 1.00 0.00 H new ATOM 0 HG22 THR A 587 33.230 -8.634 8.332 1.00 0.00 H new ATOM 0 HG23 THR A 587 34.259 -7.212 8.626 1.00 0.00 H new ATOM 844 N ILE A 588 33.254 -8.215 5.769 1.00 0.00 N ATOM 845 CA ILE A 588 33.486 -9.466 5.041 1.00 0.00 C ATOM 846 C ILE A 588 34.488 -10.358 5.794 1.00 0.00 C ATOM 847 O ILE A 588 35.507 -9.890 6.307 1.00 0.00 O ATOM 848 CB ILE A 588 33.887 -9.177 3.573 1.00 0.00 C ATOM 849 CG1 ILE A 588 34.280 -10.480 2.844 1.00 0.00 C ATOM 850 CG2 ILE A 588 35.060 -8.192 3.457 1.00 0.00 C ATOM 851 CD1 ILE A 588 34.325 -10.364 1.316 1.00 0.00 C ATOM 0 H ILE A 588 34.127 -7.739 5.997 1.00 0.00 H new ATOM 0 HA ILE A 588 32.557 -10.034 4.994 1.00 0.00 H new ATOM 0 HB ILE A 588 33.009 -8.727 3.110 1.00 0.00 H new ATOM 0 HG12 ILE A 588 35.259 -10.800 3.201 1.00 0.00 H new ATOM 0 HG13 ILE A 588 33.571 -11.262 3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 588 35.295 -8.029 2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 588 34.786 -7.244 3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 588 35.932 -8.604 3.964 1.00 0.00 H new ATOM 0 HD11 ILE A 588 34.609 -11.325 0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 588 33.342 -10.077 0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 588 35.056 -9.608 1.030 1.00 0.00 H new ATOM 863 N GLU A 589 34.188 -11.659 5.848 1.00 0.00 N ATOM 864 CA GLU A 589 35.091 -12.720 6.315 1.00 0.00 C ATOM 865 C GLU A 589 35.823 -13.359 5.120 1.00 0.00 C ATOM 866 O GLU A 589 35.187 -13.757 4.141 1.00 0.00 O ATOM 867 CB GLU A 589 34.273 -13.765 7.095 1.00 0.00 C ATOM 868 CG GLU A 589 35.137 -14.861 7.733 1.00 0.00 C ATOM 869 CD GLU A 589 34.285 -16.087 8.129 1.00 0.00 C ATOM 870 OE1 GLU A 589 33.864 -16.854 7.228 1.00 0.00 O ATOM 871 OE2 GLU A 589 34.048 -16.308 9.340 1.00 0.00 O ATOM 0 H GLU A 589 33.278 -12.017 5.558 1.00 0.00 H new ATOM 0 HA GLU A 589 35.848 -12.300 6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 589 33.703 -13.261 7.876 1.00 0.00 H new ATOM 0 HB3 GLU A 589 33.551 -14.227 6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 589 35.915 -15.167 7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 589 35.639 -14.464 8.615 1.00 0.00 H new ATOM 878 N VAL A 590 37.150 -13.496 5.204 1.00 0.00 N ATOM 879 CA VAL A 590 37.990 -14.188 4.208 1.00 0.00 C ATOM 880 C VAL A 590 39.229 -14.792 4.855 1.00 0.00 C ATOM 881 O VAL A 590 39.921 -14.145 5.637 1.00 0.00 O ATOM 882 CB VAL A 590 38.305 -13.270 3.004 1.00 0.00 C ATOM 883 CG1 VAL A 590 39.108 -12.022 3.380 1.00 0.00 C ATOM 884 CG2 VAL A 590 39.066 -14.012 1.898 1.00 0.00 C ATOM 0 H VAL A 590 37.688 -13.121 5.985 1.00 0.00 H new ATOM 0 HA VAL A 590 37.425 -15.028 3.803 1.00 0.00 H new ATOM 0 HB VAL A 590 37.326 -12.956 2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 590 39.292 -11.425 2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 590 38.545 -11.431 4.102 1.00 0.00 H new ATOM 0 HG13 VAL A 590 40.060 -12.320 3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 590 39.266 -13.329 1.073 1.00 0.00 H new ATOM 0 HG22 VAL A 590 40.009 -14.388 2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 590 38.464 -14.847 1.540 1.00 0.00 H new ATOM 894 N ASN A 591 39.505 -16.060 4.535 1.00 0.00 N ATOM 895 CA ASN A 591 40.704 -16.788 4.953 1.00 0.00 C ATOM 896 C ASN A 591 40.979 -16.751 6.478 1.00 0.00 C ATOM 897 O ASN A 591 42.121 -16.587 6.923 1.00 0.00 O ATOM 898 CB ASN A 591 41.880 -16.329 4.070 1.00 0.00 C ATOM 899 CG ASN A 591 41.728 -16.614 2.581 1.00 0.00 C ATOM 900 OD1 ASN A 591 40.915 -17.422 2.148 1.00 0.00 O ATOM 901 ND2 ASN A 591 42.511 -15.965 1.746 1.00 0.00 N ATOM 0 H ASN A 591 38.880 -16.624 3.960 1.00 0.00 H new ATOM 0 HA ASN A 591 40.546 -17.854 4.790 1.00 0.00 H new ATOM 0 HB2 ASN A 591 42.017 -15.256 4.205 1.00 0.00 H new ATOM 0 HB3 ASN A 591 42.790 -16.814 4.425 1.00 0.00 H new ATOM 0 HD21 ASN A 591 42.440 -16.135 0.743 1.00 0.00 H new ATOM 0 HD22 ASN A 591 43.189 -15.291 2.102 1.00 0.00 H new ATOM 908 N GLY A 592 39.917 -16.865 7.289 1.00 0.00 N ATOM 909 CA GLY A 592 39.960 -16.830 8.760 1.00 0.00 C ATOM 910 C GLY A 592 40.115 -15.428 9.380 1.00 0.00 C ATOM 911 O GLY A 592 40.368 -15.323 10.585 1.00 0.00 O ATOM 0 H GLY A 592 38.971 -16.988 6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 592 39.045 -17.280 9.145 1.00 0.00 H new ATOM 0 HA3 GLY A 592 40.788 -17.453 9.098 1.00 0.00 H new ATOM 915 N LYS A 593 39.987 -14.365 8.575 1.00 0.00 N ATOM 916 CA LYS A 593 40.279 -12.959 8.912 1.00 0.00 C ATOM 917 C LYS A 593 39.141 -12.036 8.457 1.00 0.00 C ATOM 918 O LYS A 593 38.235 -12.462 7.737 1.00 0.00 O ATOM 919 CB LYS A 593 41.626 -12.550 8.267 1.00 0.00 C ATOM 920 CG LYS A 593 42.788 -13.477 8.657 1.00 0.00 C ATOM 921 CD LYS A 593 44.080 -13.118 7.911 1.00 0.00 C ATOM 922 CE LYS A 593 45.123 -14.236 8.071 1.00 0.00 C ATOM 923 NZ LYS A 593 44.809 -15.428 7.238 1.00 0.00 N ATOM 0 H LYS A 593 39.658 -14.466 7.615 1.00 0.00 H new ATOM 0 HA LYS A 593 40.359 -12.858 9.994 1.00 0.00 H new ATOM 0 HB2 LYS A 593 41.517 -12.550 7.182 1.00 0.00 H new ATOM 0 HB3 LYS A 593 41.868 -11.529 8.563 1.00 0.00 H new ATOM 0 HG2 LYS A 593 42.959 -13.413 9.732 1.00 0.00 H new ATOM 0 HG3 LYS A 593 42.518 -14.510 8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 593 43.865 -12.962 6.854 1.00 0.00 H new ATOM 0 HD3 LYS A 593 44.481 -12.181 8.297 1.00 0.00 H new ATOM 0 HE2 LYS A 593 46.106 -13.854 7.797 1.00 0.00 H new ATOM 0 HE3 LYS A 593 45.176 -14.532 9.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 45.340 -16.249 7.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 43.790 -15.628 7.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 45.077 -15.242 6.251 1.00 0.00 H new ATOM 937 N TYR A 594 39.199 -10.764 8.852 1.00 0.00 N ATOM 938 CA TYR A 594 38.169 -9.760 8.565 1.00 0.00 C ATOM 939 C TYR A 594 38.694 -8.542 7.803 1.00 0.00 C ATOM 940 O TYR A 594 39.860 -8.158 7.910 1.00 0.00 O ATOM 941 CB TYR A 594 37.478 -9.329 9.866 1.00 0.00 C ATOM 942 CG TYR A 594 36.622 -10.423 10.466 1.00 0.00 C ATOM 943 CD1 TYR A 594 37.106 -11.193 11.546 1.00 0.00 C ATOM 944 CD2 TYR A 594 35.363 -10.708 9.902 1.00 0.00 C ATOM 945 CE1 TYR A 594 36.325 -12.242 12.071 1.00 0.00 C ATOM 946 CE2 TYR A 594 34.580 -11.747 10.429 1.00 0.00 C ATOM 947 CZ TYR A 594 35.058 -12.522 11.507 1.00 0.00 C ATOM 948 OH TYR A 594 34.301 -13.546 11.990 1.00 0.00 O ATOM 0 H TYR A 594 39.980 -10.393 9.393 1.00 0.00 H new ATOM 0 HA TYR A 594 37.446 -10.237 7.903 1.00 0.00 H new ATOM 0 HB2 TYR A 594 38.234 -9.027 10.591 1.00 0.00 H new ATOM 0 HB3 TYR A 594 36.857 -8.455 9.670 1.00 0.00 H new ATOM 0 HD1 TYR A 594 38.076 -10.978 11.970 1.00 0.00 H new ATOM 0 HD2 TYR A 594 35.001 -10.128 9.066 1.00 0.00 H new ATOM 0 HE1 TYR A 594 36.692 -12.829 12.900 1.00 0.00 H new ATOM 0 HE2 TYR A 594 33.607 -11.954 10.008 1.00 0.00 H new ATOM 0 HH TYR A 594 33.461 -13.597 11.488 1.00 0.00 H new ATOM 958 N PHE A 595 37.777 -7.924 7.058 1.00 0.00 N ATOM 959 CA PHE A 595 37.953 -6.692 6.287 1.00 0.00 C ATOM 960 C PHE A 595 36.609 -5.952 6.166 1.00 0.00 C ATOM 961 O PHE A 595 35.538 -6.533 6.377 1.00 0.00 O ATOM 962 CB PHE A 595 38.444 -7.055 4.869 1.00 0.00 C ATOM 963 CG PHE A 595 39.880 -7.518 4.717 1.00 0.00 C ATOM 964 CD1 PHE A 595 40.153 -8.717 4.029 1.00 0.00 C ATOM 965 CD2 PHE A 595 40.947 -6.736 5.189 1.00 0.00 C ATOM 966 CE1 PHE A 595 41.479 -9.151 3.842 1.00 0.00 C ATOM 967 CE2 PHE A 595 42.273 -7.166 4.997 1.00 0.00 C ATOM 968 CZ PHE A 595 42.542 -8.375 4.335 1.00 0.00 C ATOM 0 H PHE A 595 36.830 -8.294 6.971 1.00 0.00 H new ATOM 0 HA PHE A 595 38.678 -6.053 6.792 1.00 0.00 H new ATOM 0 HB2 PHE A 595 37.796 -7.840 4.480 1.00 0.00 H new ATOM 0 HB3 PHE A 595 38.304 -6.182 4.232 1.00 0.00 H new ATOM 0 HD1 PHE A 595 39.337 -9.309 3.641 1.00 0.00 H new ATOM 0 HD2 PHE A 595 40.750 -5.805 5.699 1.00 0.00 H new ATOM 0 HE1 PHE A 595 41.679 -10.076 3.322 1.00 0.00 H new ATOM 0 HE2 PHE A 595 43.090 -6.561 5.362 1.00 0.00 H new ATOM 0 HZ PHE A 595 43.561 -8.707 4.205 1.00 0.00 H new ATOM 978 N HIS A 596 36.646 -4.677 5.771 1.00 0.00 N ATOM 979 CA HIS A 596 35.445 -3.958 5.328 1.00 0.00 C ATOM 980 C HIS A 596 35.143 -4.409 3.902 1.00 0.00 C ATOM 981 O HIS A 596 36.059 -4.529 3.085 1.00 0.00 O ATOM 982 CB HIS A 596 35.672 -2.450 5.296 1.00 0.00 C ATOM 983 CG HIS A 596 35.691 -1.727 6.609 1.00 0.00 C ATOM 984 ND1 HIS A 596 36.792 -0.982 7.000 1.00 0.00 N ATOM 985 CD2 HIS A 596 34.693 -1.599 7.529 1.00 0.00 C ATOM 986 CE1 HIS A 596 36.454 -0.419 8.171 1.00 0.00 C ATOM 987 NE2 HIS A 596 35.194 -0.772 8.515 1.00 0.00 N ATOM 0 H HIS A 596 37.498 -4.117 5.748 1.00 0.00 H new ATOM 0 HA HIS A 596 34.631 -4.173 6.020 1.00 0.00 H new ATOM 0 HB2 HIS A 596 36.622 -2.263 4.795 1.00 0.00 H new ATOM 0 HB3 HIS A 596 34.892 -2.005 4.678 1.00 0.00 H new ATOM 0 HD2 HIS A 596 33.713 -2.051 7.494 1.00 0.00 H new ATOM 0 HE1 HIS A 596 37.096 0.224 8.755 1.00 0.00 H new ATOM 0 HE2 HIS A 596 34.699 -0.478 9.357 1.00 0.00 H new ATOM 995 N SER A 597 33.875 -4.634 3.566 1.00 0.00 N ATOM 996 CA SER A 597 33.501 -5.122 2.235 1.00 0.00 C ATOM 997 C SER A 597 33.844 -4.105 1.132 1.00 0.00 C ATOM 998 O SER A 597 34.394 -4.479 0.096 1.00 0.00 O ATOM 999 CB SER A 597 32.027 -5.554 2.233 1.00 0.00 C ATOM 1000 OG SER A 597 31.771 -6.406 1.135 1.00 0.00 O ATOM 0 H SER A 597 33.086 -4.487 4.196 1.00 0.00 H new ATOM 0 HA SER A 597 34.097 -6.004 2.000 1.00 0.00 H new ATOM 0 HB2 SER A 597 31.789 -6.068 3.165 1.00 0.00 H new ATOM 0 HB3 SER A 597 31.383 -4.676 2.180 1.00 0.00 H new ATOM 0 HG SER A 597 30.829 -6.677 1.144 1.00 0.00 H new ATOM 1006 N THR A 598 33.646 -2.805 1.389 1.00 0.00 N ATOM 1007 CA THR A 598 34.052 -1.700 0.498 1.00 0.00 C ATOM 1008 C THR A 598 35.572 -1.557 0.350 1.00 0.00 C ATOM 1009 O THR A 598 36.051 -1.291 -0.754 1.00 0.00 O ATOM 1010 CB THR A 598 33.463 -0.366 0.992 1.00 0.00 C ATOM 1011 OG1 THR A 598 33.671 -0.194 2.385 1.00 0.00 O ATOM 1012 CG2 THR A 598 31.960 -0.263 0.751 1.00 0.00 C ATOM 0 H THR A 598 33.189 -2.481 2.241 1.00 0.00 H new ATOM 0 HA THR A 598 33.656 -1.951 -0.486 1.00 0.00 H new ATOM 0 HB THR A 598 33.981 0.404 0.421 1.00 0.00 H new ATOM 0 HG1 THR A 598 33.434 0.722 2.640 1.00 0.00 H new ATOM 0 HG21 THR A 598 31.598 0.697 1.118 1.00 0.00 H new ATOM 0 HG22 THR A 598 31.756 -0.343 -0.317 1.00 0.00 H new ATOM 0 HG23 THR A 598 31.451 -1.069 1.279 1.00 0.00 H new ATOM 1020 N CYS A 599 36.351 -1.778 1.419 1.00 0.00 N ATOM 1021 CA CYS A 599 37.815 -1.810 1.368 1.00 0.00 C ATOM 1022 C CYS A 599 38.304 -2.981 0.486 1.00 0.00 C ATOM 1023 O CYS A 599 39.047 -2.777 -0.475 1.00 0.00 O ATOM 1024 CB CYS A 599 38.347 -1.897 2.812 1.00 0.00 C ATOM 1025 SG CYS A 599 38.110 -0.329 3.716 1.00 0.00 S ATOM 0 H CYS A 599 35.975 -1.941 2.353 1.00 0.00 H new ATOM 0 HA CYS A 599 38.202 -0.901 0.908 1.00 0.00 H new ATOM 0 HB2 CYS A 599 37.836 -2.702 3.340 1.00 0.00 H new ATOM 0 HB3 CYS A 599 39.407 -2.150 2.794 1.00 0.00 H new ATOM 1030 N TYR A 600 37.858 -4.200 0.801 1.00 0.00 N ATOM 1031 CA TYR A 600 38.206 -5.433 0.090 1.00 0.00 C ATOM 1032 C TYR A 600 37.836 -5.381 -1.405 1.00 0.00 C ATOM 1033 O TYR A 600 38.605 -5.838 -2.253 1.00 0.00 O ATOM 1034 CB TYR A 600 37.535 -6.601 0.817 1.00 0.00 C ATOM 1035 CG TYR A 600 37.719 -7.941 0.133 1.00 0.00 C ATOM 1036 CD1 TYR A 600 38.871 -8.703 0.392 1.00 0.00 C ATOM 1037 CD2 TYR A 600 36.758 -8.415 -0.781 1.00 0.00 C ATOM 1038 CE1 TYR A 600 39.071 -9.934 -0.261 1.00 0.00 C ATOM 1039 CE2 TYR A 600 36.948 -9.650 -1.434 1.00 0.00 C ATOM 1040 CZ TYR A 600 38.112 -10.409 -1.180 1.00 0.00 C ATOM 1041 OH TYR A 600 38.316 -11.602 -1.802 1.00 0.00 O ATOM 0 H TYR A 600 37.224 -4.361 1.584 1.00 0.00 H new ATOM 0 HA TYR A 600 39.288 -5.566 0.102 1.00 0.00 H new ATOM 0 HB2 TYR A 600 37.935 -6.663 1.829 1.00 0.00 H new ATOM 0 HB3 TYR A 600 36.469 -6.394 0.908 1.00 0.00 H new ATOM 0 HD1 TYR A 600 39.607 -8.342 1.096 1.00 0.00 H new ATOM 0 HD2 TYR A 600 35.872 -7.830 -0.982 1.00 0.00 H new ATOM 0 HE1 TYR A 600 39.959 -10.515 -0.058 1.00 0.00 H new ATOM 0 HE2 TYR A 600 36.205 -10.015 -2.127 1.00 0.00 H new ATOM 0 HH TYR A 600 37.565 -11.790 -2.403 1.00 0.00 H new ATOM 1051 N HIS A 601 36.700 -4.762 -1.751 1.00 0.00 N ATOM 1052 CA HIS A 601 36.255 -4.563 -3.141 1.00 0.00 C ATOM 1053 C HIS A 601 37.241 -3.728 -3.980 1.00 0.00 C ATOM 1054 O HIS A 601 37.438 -4.017 -5.160 1.00 0.00 O ATOM 1055 CB HIS A 601 34.859 -3.912 -3.127 1.00 0.00 C ATOM 1056 CG HIS A 601 34.238 -3.691 -4.487 1.00 0.00 C ATOM 1057 ND1 HIS A 601 33.501 -2.563 -4.859 1.00 0.00 N ATOM 1058 CD2 HIS A 601 34.193 -4.594 -5.509 1.00 0.00 C ATOM 1059 CE1 HIS A 601 33.063 -2.799 -6.108 1.00 0.00 C ATOM 1060 NE2 HIS A 601 33.467 -4.011 -6.525 1.00 0.00 N ATOM 0 H HIS A 601 36.052 -4.378 -1.063 1.00 0.00 H new ATOM 0 HA HIS A 601 36.213 -5.540 -3.622 1.00 0.00 H new ATOM 0 HB2 HIS A 601 34.190 -4.538 -2.537 1.00 0.00 H new ATOM 0 HB3 HIS A 601 34.929 -2.951 -2.617 1.00 0.00 H new ATOM 0 HD2 HIS A 601 34.640 -5.577 -5.520 1.00 0.00 H new ATOM 0 HE1 HIS A 601 32.470 -2.112 -6.693 1.00 0.00 H new ATOM 0 HE2 HIS A 601 33.270 -4.427 -7.435 1.00 0.00 H new ATOM 1068 N GLU A 602 37.900 -2.730 -3.381 1.00 0.00 N ATOM 1069 CA GLU A 602 38.923 -1.912 -4.051 1.00 0.00 C ATOM 1070 C GLU A 602 40.302 -2.595 -4.137 1.00 0.00 C ATOM 1071 O GLU A 602 41.028 -2.385 -5.115 1.00 0.00 O ATOM 1072 CB GLU A 602 39.050 -0.555 -3.338 1.00 0.00 C ATOM 1073 CG GLU A 602 37.855 0.383 -3.577 1.00 0.00 C ATOM 1074 CD GLU A 602 37.955 1.098 -4.942 1.00 0.00 C ATOM 1075 OE1 GLU A 602 38.457 2.248 -4.994 1.00 0.00 O ATOM 1076 OE2 GLU A 602 37.541 0.522 -5.978 1.00 0.00 O ATOM 0 H GLU A 602 37.739 -2.463 -2.410 1.00 0.00 H new ATOM 0 HA GLU A 602 38.587 -1.773 -5.079 1.00 0.00 H new ATOM 0 HB2 GLU A 602 39.158 -0.726 -2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 602 39.961 -0.061 -3.675 1.00 0.00 H new ATOM 0 HG2 GLU A 602 36.928 -0.189 -3.533 1.00 0.00 H new ATOM 0 HG3 GLU A 602 37.810 1.125 -2.780 1.00 0.00 H new ATOM 1083 N THR A 603 40.686 -3.407 -3.144 1.00 0.00 N ATOM 1084 CA THR A 603 42.028 -4.026 -3.072 1.00 0.00 C ATOM 1085 C THR A 603 42.141 -5.387 -3.763 1.00 0.00 C ATOM 1086 O THR A 603 43.241 -5.765 -4.173 1.00 0.00 O ATOM 1087 CB THR A 603 42.502 -4.180 -1.619 1.00 0.00 C ATOM 1088 OG1 THR A 603 41.610 -4.981 -0.867 1.00 0.00 O ATOM 1089 CG2 THR A 603 42.648 -2.838 -0.907 1.00 0.00 C ATOM 0 H THR A 603 40.079 -3.658 -2.364 1.00 0.00 H new ATOM 0 HA THR A 603 42.667 -3.330 -3.615 1.00 0.00 H new ATOM 0 HB THR A 603 43.479 -4.659 -1.679 1.00 0.00 H new ATOM 0 HG1 THR A 603 41.939 -5.062 0.053 1.00 0.00 H new ATOM 0 HG21 THR A 603 42.985 -3.004 0.116 1.00 0.00 H new ATOM 0 HG22 THR A 603 43.378 -2.224 -1.435 1.00 0.00 H new ATOM 0 HG23 THR A 603 41.685 -2.327 -0.893 1.00 0.00 H new ATOM 1097 N SER A 604 41.045 -6.142 -3.895 1.00 0.00 N ATOM 1098 CA SER A 604 41.040 -7.487 -4.491 1.00 0.00 C ATOM 1099 C SER A 604 41.469 -7.466 -5.970 1.00 0.00 C ATOM 1100 O SER A 604 40.865 -6.783 -6.804 1.00 0.00 O ATOM 1101 CB SER A 604 39.656 -8.127 -4.332 1.00 0.00 C ATOM 1102 OG SER A 604 39.653 -9.456 -4.833 1.00 0.00 O ATOM 0 H SER A 604 40.123 -5.834 -3.587 1.00 0.00 H new ATOM 0 HA SER A 604 41.774 -8.091 -3.957 1.00 0.00 H new ATOM 0 HB2 SER A 604 39.371 -8.130 -3.280 1.00 0.00 H new ATOM 0 HB3 SER A 604 38.912 -7.532 -4.862 1.00 0.00 H new ATOM 0 HG SER A 604 38.761 -9.846 -4.720 1.00 0.00 H new ATOM 1108 N GLN A 605 42.529 -8.218 -6.288 1.00 0.00 N ATOM 1109 CA GLN A 605 43.184 -8.315 -7.604 1.00 0.00 C ATOM 1110 C GLN A 605 43.784 -9.720 -7.819 1.00 0.00 C ATOM 1111 O GLN A 605 43.963 -10.476 -6.858 1.00 0.00 O ATOM 1112 CB GLN A 605 44.295 -7.249 -7.727 1.00 0.00 C ATOM 1113 CG GLN A 605 43.776 -5.806 -7.803 1.00 0.00 C ATOM 1114 CD GLN A 605 44.912 -4.810 -8.012 1.00 0.00 C ATOM 1115 OE1 GLN A 605 45.196 -4.368 -9.119 1.00 0.00 O ATOM 1116 NE2 GLN A 605 45.611 -4.429 -6.963 1.00 0.00 N ATOM 0 H GLN A 605 42.982 -8.812 -5.594 1.00 0.00 H new ATOM 0 HA GLN A 605 42.429 -8.139 -8.371 1.00 0.00 H new ATOM 0 HB2 GLN A 605 44.965 -7.338 -6.872 1.00 0.00 H new ATOM 0 HB3 GLN A 605 44.887 -7.458 -8.618 1.00 0.00 H new ATOM 0 HG2 GLN A 605 43.060 -5.719 -8.620 1.00 0.00 H new ATOM 0 HG3 GLN A 605 43.242 -5.562 -6.885 1.00 0.00 H new ATOM 0 HE21 GLN A 605 45.381 -4.792 -6.038 1.00 0.00 H new ATOM 0 HE22 GLN A 605 46.382 -3.771 -7.076 1.00 0.00 H new ATOM 1125 N ASN A 606 44.118 -10.063 -9.075 1.00 0.00 N ATOM 1126 CA ASN A 606 44.730 -11.345 -9.474 1.00 0.00 C ATOM 1127 C ASN A 606 43.904 -12.579 -9.033 1.00 0.00 C ATOM 1128 O ASN A 606 44.441 -13.564 -8.519 1.00 0.00 O ATOM 1129 CB ASN A 606 46.218 -11.383 -9.063 1.00 0.00 C ATOM 1130 CG ASN A 606 47.012 -10.192 -9.574 1.00 0.00 C ATOM 1131 OD1 ASN A 606 47.246 -9.217 -8.871 1.00 0.00 O ATOM 1132 ND2 ASN A 606 47.438 -10.214 -10.819 1.00 0.00 N ATOM 0 H ASN A 606 43.965 -9.437 -9.866 1.00 0.00 H new ATOM 0 HA ASN A 606 44.709 -11.408 -10.562 1.00 0.00 H new ATOM 0 HB2 ASN A 606 46.287 -11.418 -7.976 1.00 0.00 H new ATOM 0 HB3 ASN A 606 46.669 -12.301 -9.440 1.00 0.00 H new ATOM 0 HD21 ASN A 606 47.960 -9.422 -11.193 1.00 0.00 H new ATOM 0 HD22 ASN A 606 47.246 -11.023 -11.409 1.00 0.00 H new ATOM 1139 N SER A 607 42.582 -12.508 -9.221 1.00 0.00 N ATOM 1140 CA SER A 607 41.579 -13.465 -8.709 1.00 0.00 C ATOM 1141 C SER A 607 41.607 -14.871 -9.345 1.00 0.00 C ATOM 1142 O SER A 607 40.908 -15.767 -8.861 1.00 0.00 O ATOM 1143 CB SER A 607 40.176 -12.872 -8.903 1.00 0.00 C ATOM 1144 OG SER A 607 40.116 -11.539 -8.408 1.00 0.00 O ATOM 0 H SER A 607 42.157 -11.751 -9.757 1.00 0.00 H new ATOM 0 HA SER A 607 41.836 -13.611 -7.660 1.00 0.00 H new ATOM 0 HB2 SER A 607 39.915 -12.883 -9.961 1.00 0.00 H new ATOM 0 HB3 SER A 607 39.441 -13.490 -8.387 1.00 0.00 H new ATOM 0 HG SER A 607 39.214 -11.180 -8.543 1.00 0.00 H new ATOM 1150 N SER A 608 42.374 -15.067 -10.427 1.00 0.00 N ATOM 1151 CA SER A 608 42.484 -16.316 -11.214 1.00 0.00 C ATOM 1152 C SER A 608 42.953 -17.531 -10.399 1.00 0.00 C ATOM 1153 O SER A 608 42.300 -18.595 -10.499 1.00 0.00 O ATOM 1154 CB SER A 608 43.430 -16.109 -12.403 1.00 0.00 C ATOM 1155 OG SER A 608 42.965 -15.025 -13.197 1.00 0.00 O ATOM 1156 OXT SER A 608 43.987 -17.438 -9.696 1.00 0.00 O ATOM 0 H SER A 608 42.966 -14.325 -10.800 1.00 0.00 H new ATOM 0 HA SER A 608 41.473 -16.540 -11.556 1.00 0.00 H new ATOM 0 HB2 SER A 608 44.440 -15.905 -12.047 1.00 0.00 H new ATOM 0 HB3 SER A 608 43.481 -17.017 -13.003 1.00 0.00 H new ATOM 0 HG SER A 608 43.571 -14.892 -13.956 1.00 0.00 H new TER 1162 SER A 608 HETATM 1163 ZN ZN A 701 38.731 -0.748 6.032 1.00 0.00 ZN