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= 0.241 K(o=0.91,f=-4.9!) USER MOD Set 1.2: A 598 THR OG1 : rot 170:sc= 0.673 USER MOD Set 2.1: A 542 ASN : amide:sc= 0 X(o=0,f=0.017) USER MOD Set 2.2: A 601 HIS : no HD1:sc= 0 X(o=0,f=0.017) 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 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 -140:sc= 0 USER MOD Single : A 558 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 560 MET CE :methyl 157:sc= -0.251 (180deg=-1.67) USER MOD Single : A 563 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 LYS NZ :NH3+ 175:sc= 1.66 (180deg=1.63) 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 83:sc= 0.931 USER MOD Single : A 585 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 THR OG1 : rot 62:sc= 0.518 USER MOD Single : A 591 ASN : amide:sc= -0.0483 X(o=-0.048,f=-0.04) USER MOD Single : A 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 SER OG : rot -137:sc= 0.322 USER MOD Single : A 600 TYR OH : rot 180:sc= 0 USER MOD Single : A 603 THR OG1 : rot 82:sc= 0.566 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= -0.0808 X(o=-0.081,f=-0.47) 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 28.147 20.612 -7.608 1.00 0.00 N ATOM 2 CA GLY A 533 28.134 20.696 -9.086 1.00 0.00 C ATOM 3 C GLY A 533 27.255 19.621 -9.713 1.00 0.00 C ATOM 4 O GLY A 533 26.856 18.661 -9.048 1.00 0.00 O ATOM 0 HA2 GLY A 533 27.776 21.680 -9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 533 29.152 20.597 -9.463 1.00 0.00 H new ATOM 10 N GLY A 534 26.949 19.771 -11.006 1.00 0.00 N ATOM 11 CA GLY A 534 26.161 18.806 -11.790 1.00 0.00 C ATOM 12 C GLY A 534 26.909 17.503 -12.120 1.00 0.00 C ATOM 13 O GLY A 534 28.136 17.419 -12.009 1.00 0.00 O ATOM 0 H GLY A 534 27.246 20.581 -11.550 1.00 0.00 H new ATOM 0 HA2 GLY A 534 25.253 18.561 -11.238 1.00 0.00 H new ATOM 0 HA3 GLY A 534 25.850 19.279 -12.721 1.00 0.00 H new ATOM 17 N SER A 535 26.158 16.481 -12.538 1.00 0.00 N ATOM 18 CA SER A 535 26.664 15.142 -12.889 1.00 0.00 C ATOM 19 C SER A 535 25.760 14.424 -13.902 1.00 0.00 C ATOM 20 O SER A 535 24.559 14.692 -14.001 1.00 0.00 O ATOM 21 CB SER A 535 26.837 14.284 -11.624 1.00 0.00 C ATOM 22 OG SER A 535 25.610 14.105 -10.928 1.00 0.00 O ATOM 0 H SER A 535 25.147 16.560 -12.647 1.00 0.00 H new ATOM 0 HA SER A 535 27.635 15.280 -13.364 1.00 0.00 H new ATOM 0 HB2 SER A 535 27.243 13.310 -11.899 1.00 0.00 H new ATOM 0 HB3 SER A 535 27.563 14.756 -10.962 1.00 0.00 H new ATOM 0 HG SER A 535 25.763 13.554 -10.132 1.00 0.00 H new ATOM 28 N GLU A 536 26.343 13.507 -14.679 1.00 0.00 N ATOM 29 CA GLU A 536 25.626 12.651 -15.633 1.00 0.00 C ATOM 30 C GLU A 536 24.902 11.482 -14.933 1.00 0.00 C ATOM 31 O GLU A 536 25.345 10.980 -13.895 1.00 0.00 O ATOM 32 CB GLU A 536 26.584 12.107 -16.711 1.00 0.00 C ATOM 33 CG GLU A 536 27.171 13.182 -17.646 1.00 0.00 C ATOM 34 CD GLU A 536 28.234 14.101 -17.000 1.00 0.00 C ATOM 35 OE1 GLU A 536 28.229 15.325 -17.285 1.00 0.00 O ATOM 36 OE2 GLU A 536 29.100 13.615 -16.232 1.00 0.00 O ATOM 0 H GLU A 536 27.348 13.334 -14.663 1.00 0.00 H new ATOM 0 HA GLU A 536 24.870 13.274 -16.110 1.00 0.00 H new ATOM 0 HB2 GLU A 536 27.404 11.584 -16.219 1.00 0.00 H new ATOM 0 HB3 GLU A 536 26.052 11.371 -17.314 1.00 0.00 H new ATOM 0 HG2 GLU A 536 27.617 12.687 -18.509 1.00 0.00 H new ATOM 0 HG3 GLU A 536 26.356 13.802 -18.020 1.00 0.00 H new ATOM 43 N PHE A 537 23.803 11.008 -15.531 1.00 0.00 N ATOM 44 CA PHE A 537 22.971 9.901 -15.025 1.00 0.00 C ATOM 45 C PHE A 537 23.517 8.496 -15.392 1.00 0.00 C ATOM 46 O PHE A 537 22.824 7.487 -15.235 1.00 0.00 O ATOM 47 CB PHE A 537 21.528 10.144 -15.516 1.00 0.00 C ATOM 48 CG PHE A 537 20.400 9.313 -14.912 1.00 0.00 C ATOM 49 CD1 PHE A 537 19.256 9.050 -15.694 1.00 0.00 C ATOM 50 CD2 PHE A 537 20.436 8.859 -13.574 1.00 0.00 C ATOM 51 CE1 PHE A 537 18.172 8.330 -15.159 1.00 0.00 C ATOM 52 CE2 PHE A 537 19.353 8.132 -13.042 1.00 0.00 C ATOM 53 CZ PHE A 537 18.222 7.867 -13.833 1.00 0.00 C ATOM 0 H PHE A 537 23.454 11.394 -16.408 1.00 0.00 H new ATOM 0 HA PHE A 537 22.994 9.898 -13.935 1.00 0.00 H new ATOM 0 HB2 PHE A 537 21.293 11.195 -15.345 1.00 0.00 H new ATOM 0 HB3 PHE A 537 21.515 9.986 -16.594 1.00 0.00 H new ATOM 0 HD1 PHE A 537 19.212 9.405 -16.713 1.00 0.00 H new ATOM 0 HD2 PHE A 537 21.297 9.070 -12.957 1.00 0.00 H new ATOM 0 HE1 PHE A 537 17.302 8.133 -15.767 1.00 0.00 H new ATOM 0 HE2 PHE A 537 19.392 7.777 -12.023 1.00 0.00 H new ATOM 0 HZ PHE A 537 17.393 7.309 -13.423 1.00 0.00 H new ATOM 63 N SER A 538 24.746 8.414 -15.915 1.00 0.00 N ATOM 64 CA SER A 538 25.366 7.190 -16.446 1.00 0.00 C ATOM 65 C SER A 538 25.545 6.095 -15.382 1.00 0.00 C ATOM 66 O SER A 538 26.069 6.337 -14.291 1.00 0.00 O ATOM 67 CB SER A 538 26.713 7.513 -17.102 1.00 0.00 C ATOM 68 OG SER A 538 26.555 8.543 -18.071 1.00 0.00 O ATOM 0 H SER A 538 25.360 9.226 -15.983 1.00 0.00 H new ATOM 0 HA SER A 538 24.679 6.795 -17.194 1.00 0.00 H new ATOM 0 HB2 SER A 538 27.430 7.825 -16.342 1.00 0.00 H new ATOM 0 HB3 SER A 538 27.119 6.619 -17.575 1.00 0.00 H new ATOM 0 HG SER A 538 27.422 8.742 -18.482 1.00 0.00 H new ATOM 74 N ASP A 539 25.115 4.876 -15.705 1.00 0.00 N ATOM 75 CA ASP A 539 25.067 3.726 -14.793 1.00 0.00 C ATOM 76 C ASP A 539 26.449 3.104 -14.495 1.00 0.00 C ATOM 77 O ASP A 539 27.354 3.105 -15.336 1.00 0.00 O ATOM 78 CB ASP A 539 24.109 2.658 -15.349 1.00 0.00 C ATOM 79 CG ASP A 539 24.497 2.139 -16.751 1.00 0.00 C ATOM 80 OD1 ASP A 539 24.916 0.962 -16.866 1.00 0.00 O ATOM 81 OD2 ASP A 539 24.344 2.887 -17.748 1.00 0.00 O ATOM 0 H ASP A 539 24.778 4.651 -16.641 1.00 0.00 H new ATOM 0 HA ASP A 539 24.699 4.105 -13.840 1.00 0.00 H new ATOM 0 HB2 ASP A 539 24.077 1.817 -14.657 1.00 0.00 H new ATOM 0 HB3 ASP A 539 23.102 3.074 -15.392 1.00 0.00 H new ATOM 86 N ARG A 540 26.589 2.541 -13.286 1.00 0.00 N ATOM 87 CA ARG A 540 27.782 1.834 -12.775 1.00 0.00 C ATOM 88 C ARG A 540 27.488 0.348 -12.495 1.00 0.00 C ATOM 89 O ARG A 540 26.328 -0.071 -12.472 1.00 0.00 O ATOM 90 CB ARG A 540 28.312 2.570 -11.523 1.00 0.00 C ATOM 91 CG ARG A 540 29.324 3.693 -11.818 1.00 0.00 C ATOM 92 CD ARG A 540 28.762 4.922 -12.546 1.00 0.00 C ATOM 93 NE ARG A 540 29.815 5.939 -12.734 1.00 0.00 N ATOM 94 CZ ARG A 540 29.691 7.139 -13.271 1.00 0.00 C ATOM 95 NH1 ARG A 540 28.557 7.606 -13.709 1.00 0.00 N ATOM 96 NH2 ARG A 540 30.732 7.914 -13.379 1.00 0.00 N ATOM 0 H ARG A 540 25.836 2.566 -12.599 1.00 0.00 H new ATOM 0 HA ARG A 540 28.558 1.846 -13.540 1.00 0.00 H new ATOM 0 HB2 ARG A 540 27.466 2.994 -10.982 1.00 0.00 H new ATOM 0 HB3 ARG A 540 28.780 1.842 -10.861 1.00 0.00 H new ATOM 0 HG2 ARG A 540 29.760 4.021 -10.874 1.00 0.00 H new ATOM 0 HG3 ARG A 540 30.135 3.278 -12.417 1.00 0.00 H new ATOM 0 HD2 ARG A 540 28.358 4.625 -13.514 1.00 0.00 H new ATOM 0 HD3 ARG A 540 27.937 5.346 -11.973 1.00 0.00 H new ATOM 0 HE ARG A 540 30.749 5.685 -12.411 1.00 0.00 H new ATOM 0 HH11 ARG A 540 27.713 7.038 -13.645 1.00 0.00 H new ATOM 0 HH12 ARG A 540 28.513 8.540 -14.116 1.00 0.00 H new ATOM 0 HH21 ARG A 540 31.643 7.594 -13.049 1.00 0.00 H new ATOM 0 HH22 ARG A 540 30.637 8.841 -13.794 1.00 0.00 H new ATOM 110 N SER A 541 28.541 -0.446 -12.268 1.00 0.00 N ATOM 111 CA SER A 541 28.465 -1.905 -12.038 1.00 0.00 C ATOM 112 C SER A 541 27.643 -2.306 -10.795 1.00 0.00 C ATOM 113 O SER A 541 26.962 -3.335 -10.797 1.00 0.00 O ATOM 114 CB SER A 541 29.892 -2.465 -11.936 1.00 0.00 C ATOM 115 OG SER A 541 29.894 -3.882 -11.859 1.00 0.00 O ATOM 0 H SER A 541 29.496 -0.089 -12.237 1.00 0.00 H new ATOM 0 HA SER A 541 27.934 -2.335 -12.888 1.00 0.00 H new ATOM 0 HB2 SER A 541 30.471 -2.147 -12.803 1.00 0.00 H new ATOM 0 HB3 SER A 541 30.383 -2.052 -11.055 1.00 0.00 H new ATOM 0 HG SER A 541 30.817 -4.205 -11.797 1.00 0.00 H new ATOM 121 N ASN A 542 27.641 -1.462 -9.755 1.00 0.00 N ATOM 122 CA ASN A 542 26.836 -1.603 -8.534 1.00 0.00 C ATOM 123 C ASN A 542 26.377 -0.225 -8.014 1.00 0.00 C ATOM 124 O ASN A 542 27.050 0.786 -8.230 1.00 0.00 O ATOM 125 CB ASN A 542 27.623 -2.395 -7.467 1.00 0.00 C ATOM 126 CG ASN A 542 28.921 -1.712 -7.047 1.00 0.00 C ATOM 127 OD1 ASN A 542 29.953 -1.841 -7.691 1.00 0.00 O ATOM 128 ND2 ASN A 542 28.922 -0.974 -5.959 1.00 0.00 N ATOM 0 H ASN A 542 28.225 -0.626 -9.741 1.00 0.00 H new ATOM 0 HA ASN A 542 25.934 -2.168 -8.768 1.00 0.00 H new ATOM 0 HB2 ASN A 542 26.993 -2.534 -6.589 1.00 0.00 H new ATOM 0 HB3 ASN A 542 27.852 -3.387 -7.856 1.00 0.00 H new ATOM 0 HD21 ASN A 542 29.780 -0.513 -5.656 1.00 0.00 H new ATOM 0 HD22 ASN A 542 28.065 -0.862 -5.418 1.00 0.00 H new ATOM 135 N GLU A 543 25.230 -0.182 -7.325 1.00 0.00 N ATOM 136 CA GLU A 543 24.602 1.065 -6.857 1.00 0.00 C ATOM 137 C GLU A 543 25.045 1.462 -5.434 1.00 0.00 C ATOM 138 O GLU A 543 25.715 2.482 -5.259 1.00 0.00 O ATOM 139 CB GLU A 543 23.070 0.955 -6.993 1.00 0.00 C ATOM 140 CG GLU A 543 22.327 2.278 -6.739 1.00 0.00 C ATOM 141 CD GLU A 543 22.631 3.381 -7.780 1.00 0.00 C ATOM 142 OE1 GLU A 543 22.762 3.081 -8.991 1.00 0.00 O ATOM 143 OE2 GLU A 543 22.709 4.573 -7.395 1.00 0.00 O ATOM 0 H GLU A 543 24.705 -1.019 -7.073 1.00 0.00 H new ATOM 0 HA GLU A 543 24.947 1.880 -7.494 1.00 0.00 H new ATOM 0 HB2 GLU A 543 22.828 0.600 -7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 543 22.705 0.204 -6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 543 21.254 2.085 -6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 543 22.591 2.646 -5.747 1.00 0.00 H new ATOM 150 N LEU A 544 24.691 0.651 -4.423 1.00 0.00 N ATOM 151 CA LEU A 544 24.940 0.952 -2.995 1.00 0.00 C ATOM 152 C LEU A 544 25.020 -0.252 -2.032 1.00 0.00 C ATOM 153 O LEU A 544 25.363 -0.100 -0.861 1.00 0.00 O ATOM 154 CB LEU A 544 23.859 1.933 -2.505 1.00 0.00 C ATOM 155 CG LEU A 544 22.488 1.371 -2.062 1.00 0.00 C ATOM 156 CD1 LEU A 544 21.621 2.513 -1.533 1.00 0.00 C ATOM 157 CD2 LEU A 544 21.703 0.670 -3.171 1.00 0.00 C ATOM 0 H LEU A 544 24.219 -0.241 -4.571 1.00 0.00 H new ATOM 0 HA LEU A 544 25.944 1.376 -2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 544 24.275 2.489 -1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 544 23.678 2.651 -3.305 1.00 0.00 H new ATOM 0 HG LEU A 544 22.710 0.624 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 544 20.654 2.120 -1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 544 22.115 2.981 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 544 21.475 3.253 -2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 544 20.755 0.307 -2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 544 21.511 1.373 -3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 544 22.283 -0.171 -3.551 1.00 0.00 H new ATOM 169 N GLU A 545 24.689 -1.447 -2.520 1.00 0.00 N ATOM 170 CA GLU A 545 24.459 -2.666 -1.717 1.00 0.00 C ATOM 171 C GLU A 545 25.654 -3.154 -0.870 1.00 0.00 C ATOM 172 O GLU A 545 25.453 -3.837 0.135 1.00 0.00 O ATOM 173 CB GLU A 545 23.970 -3.767 -2.678 1.00 0.00 C ATOM 174 CG GLU A 545 23.538 -5.071 -1.989 1.00 0.00 C ATOM 175 CD GLU A 545 22.815 -6.011 -2.974 1.00 0.00 C ATOM 176 OE1 GLU A 545 21.568 -5.924 -3.094 1.00 0.00 O ATOM 177 OE2 GLU A 545 23.479 -6.853 -3.629 1.00 0.00 O ATOM 0 H GLU A 545 24.567 -1.607 -3.520 1.00 0.00 H new ATOM 0 HA GLU A 545 23.713 -2.415 -0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 545 23.130 -3.381 -3.255 1.00 0.00 H new ATOM 0 HB3 GLU A 545 24.767 -3.993 -3.387 1.00 0.00 H new ATOM 0 HG2 GLU A 545 24.413 -5.575 -1.578 1.00 0.00 H new ATOM 0 HG3 GLU A 545 22.879 -4.842 -1.152 1.00 0.00 H new ATOM 184 N ILE A 546 26.886 -2.772 -1.224 1.00 0.00 N ATOM 185 CA ILE A 546 28.134 -3.266 -0.610 1.00 0.00 C ATOM 186 C ILE A 546 28.144 -3.134 0.924 1.00 0.00 C ATOM 187 O ILE A 546 28.556 -4.063 1.626 1.00 0.00 O ATOM 188 CB ILE A 546 29.353 -2.526 -1.209 1.00 0.00 C ATOM 189 CG1 ILE A 546 29.461 -2.570 -2.754 1.00 0.00 C ATOM 190 CG2 ILE A 546 30.662 -3.049 -0.598 1.00 0.00 C ATOM 191 CD1 ILE A 546 29.815 -3.943 -3.339 1.00 0.00 C ATOM 0 H ILE A 546 27.052 -2.092 -1.966 1.00 0.00 H new ATOM 0 HA ILE A 546 28.194 -4.330 -0.839 1.00 0.00 H new ATOM 0 HB ILE A 546 29.188 -1.481 -0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 546 28.512 -2.244 -3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 546 30.216 -1.851 -3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 546 31.506 -2.514 -1.034 1.00 0.00 H new ATOM 0 HG22 ILE A 546 30.649 -2.890 0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 546 30.761 -4.114 -0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 546 29.868 -3.873 -4.425 1.00 0.00 H new ATOM 0 HD12 ILE A 546 30.780 -4.267 -2.949 1.00 0.00 H new ATOM 0 HD13 ILE A 546 29.049 -4.666 -3.059 1.00 0.00 H new ATOM 203 N ARG A 547 27.659 -2.001 1.455 1.00 0.00 N ATOM 204 CA ARG A 547 27.668 -1.700 2.898 1.00 0.00 C ATOM 205 C ARG A 547 26.659 -2.529 3.707 1.00 0.00 C ATOM 206 O ARG A 547 26.787 -2.633 4.926 1.00 0.00 O ATOM 207 CB ARG A 547 27.496 -0.183 3.139 1.00 0.00 C ATOM 208 CG ARG A 547 26.088 0.347 2.821 1.00 0.00 C ATOM 209 CD ARG A 547 25.970 1.841 3.148 1.00 0.00 C ATOM 210 NE ARG A 547 24.583 2.308 2.947 1.00 0.00 N ATOM 211 CZ ARG A 547 23.974 3.297 3.580 1.00 0.00 C ATOM 212 NH1 ARG A 547 22.719 3.560 3.344 1.00 0.00 N ATOM 213 NH2 ARG A 547 24.582 4.033 4.468 1.00 0.00 N ATOM 0 H ARG A 547 27.245 -1.259 0.890 1.00 0.00 H new ATOM 0 HA ARG A 547 28.647 -2.000 3.273 1.00 0.00 H new ATOM 0 HB2 ARG A 547 27.729 0.037 4.181 1.00 0.00 H new ATOM 0 HB3 ARG A 547 28.222 0.356 2.529 1.00 0.00 H new ATOM 0 HG2 ARG A 547 25.865 0.184 1.767 1.00 0.00 H new ATOM 0 HG3 ARG A 547 25.348 -0.213 3.393 1.00 0.00 H new ATOM 0 HD2 ARG A 547 26.273 2.018 4.180 1.00 0.00 H new ATOM 0 HD3 ARG A 547 26.648 2.413 2.514 1.00 0.00 H new ATOM 0 HE ARG A 547 24.035 1.814 2.243 1.00 0.00 H new ATOM 0 HH11 ARG A 547 22.199 3.001 2.667 1.00 0.00 H new ATOM 0 HH12 ARG A 547 22.257 4.324 3.836 1.00 0.00 H new ATOM 0 HH21 ARG A 547 25.560 3.855 4.695 1.00 0.00 H new ATOM 0 HH22 ARG A 547 24.079 4.787 4.936 1.00 0.00 H new ATOM 227 N GLY A 548 25.669 -3.126 3.036 1.00 0.00 N ATOM 228 CA GLY A 548 24.598 -3.920 3.651 1.00 0.00 C ATOM 229 C GLY A 548 25.035 -5.320 4.105 1.00 0.00 C ATOM 230 O GLY A 548 24.298 -5.981 4.841 1.00 0.00 O ATOM 0 H GLY A 548 25.587 -3.069 2.021 1.00 0.00 H new ATOM 0 HA2 GLY A 548 24.206 -3.377 4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 548 23.780 -4.020 2.938 1.00 0.00 H new ATOM 234 N LYS A 549 26.231 -5.778 3.709 1.00 0.00 N ATOM 235 CA LYS A 549 26.826 -7.050 4.155 1.00 0.00 C ATOM 236 C LYS A 549 27.249 -6.965 5.627 1.00 0.00 C ATOM 237 O LYS A 549 27.936 -6.023 6.023 1.00 0.00 O ATOM 238 CB LYS A 549 28.024 -7.416 3.257 1.00 0.00 C ATOM 239 CG LYS A 549 27.700 -7.516 1.756 1.00 0.00 C ATOM 240 CD LYS A 549 26.597 -8.531 1.415 1.00 0.00 C ATOM 241 CE LYS A 549 26.380 -8.600 -0.106 1.00 0.00 C ATOM 242 NZ LYS A 549 25.327 -9.586 -0.475 1.00 0.00 N ATOM 0 H LYS A 549 26.825 -5.266 3.057 1.00 0.00 H new ATOM 0 HA LYS A 549 26.076 -7.837 4.069 1.00 0.00 H new ATOM 0 HB2 LYS A 549 28.806 -6.669 3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 549 28.432 -8.370 3.591 1.00 0.00 H new ATOM 0 HG2 LYS A 549 27.398 -6.533 1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 549 28.608 -7.788 1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 549 26.871 -9.516 1.794 1.00 0.00 H new ATOM 0 HD3 LYS A 549 25.668 -8.246 1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 549 26.100 -7.614 -0.477 1.00 0.00 H new ATOM 0 HE3 LYS A 549 27.317 -8.870 -0.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 549 25.212 -9.601 -1.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 549 25.606 -10.532 -0.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 549 24.427 -9.315 -0.031 1.00 0.00 H new ATOM 256 N TYR A 550 26.875 -7.962 6.423 1.00 0.00 N ATOM 257 CA TYR A 550 27.279 -8.110 7.825 1.00 0.00 C ATOM 258 C TYR A 550 27.572 -9.570 8.186 1.00 0.00 C ATOM 259 O TYR A 550 27.162 -10.500 7.489 1.00 0.00 O ATOM 260 CB TYR A 550 26.230 -7.518 8.788 1.00 0.00 C ATOM 261 CG TYR A 550 24.857 -8.166 8.748 1.00 0.00 C ATOM 262 CD1 TYR A 550 23.856 -7.615 7.930 1.00 0.00 C ATOM 263 CD2 TYR A 550 24.576 -9.296 9.538 1.00 0.00 C ATOM 264 CE1 TYR A 550 22.577 -8.203 7.885 1.00 0.00 C ATOM 265 CE2 TYR A 550 23.298 -9.889 9.501 1.00 0.00 C ATOM 266 CZ TYR A 550 22.290 -9.335 8.681 1.00 0.00 C ATOM 267 OH TYR A 550 21.040 -9.881 8.637 1.00 0.00 O ATOM 0 H TYR A 550 26.264 -8.714 6.105 1.00 0.00 H new ATOM 0 HA TYR A 550 28.203 -7.544 7.941 1.00 0.00 H new ATOM 0 HB2 TYR A 550 26.616 -7.591 9.805 1.00 0.00 H new ATOM 0 HB3 TYR A 550 26.117 -6.457 8.565 1.00 0.00 H new ATOM 0 HD1 TYR A 550 24.068 -6.739 7.335 1.00 0.00 H new ATOM 0 HD2 TYR A 550 25.343 -9.711 10.175 1.00 0.00 H new ATOM 0 HE1 TYR A 550 21.815 -7.789 7.242 1.00 0.00 H new ATOM 0 HE2 TYR A 550 23.090 -10.765 10.098 1.00 0.00 H new ATOM 0 HH TYR A 550 20.999 -10.654 9.238 1.00 0.00 H new ATOM 277 N VAL A 551 28.253 -9.762 9.313 1.00 0.00 N ATOM 278 CA VAL A 551 28.525 -11.063 9.950 1.00 0.00 C ATOM 279 C VAL A 551 28.099 -11.018 11.420 1.00 0.00 C ATOM 280 O VAL A 551 28.241 -9.980 12.063 1.00 0.00 O ATOM 281 CB VAL A 551 30.011 -11.462 9.792 1.00 0.00 C ATOM 282 CG1 VAL A 551 30.353 -11.749 8.321 1.00 0.00 C ATOM 283 CG2 VAL A 551 31.013 -10.447 10.334 1.00 0.00 C ATOM 0 H VAL A 551 28.652 -8.983 9.837 1.00 0.00 H new ATOM 0 HA VAL A 551 27.939 -11.833 9.449 1.00 0.00 H new ATOM 0 HB VAL A 551 30.110 -12.360 10.401 1.00 0.00 H new ATOM 0 HG11 VAL A 551 31.404 -12.027 8.239 1.00 0.00 H new ATOM 0 HG12 VAL A 551 29.732 -12.567 7.956 1.00 0.00 H new ATOM 0 HG13 VAL A 551 30.166 -10.857 7.723 1.00 0.00 H new ATOM 0 HG21 VAL A 551 32.026 -10.817 10.177 1.00 0.00 H new ATOM 0 HG22 VAL A 551 30.888 -9.498 9.812 1.00 0.00 H new ATOM 0 HG23 VAL A 551 30.841 -10.300 11.400 1.00 0.00 H new ATOM 293 N VAL A 552 27.555 -12.103 11.986 1.00 0.00 N ATOM 294 CA VAL A 552 27.206 -12.164 13.425 1.00 0.00 C ATOM 295 C VAL A 552 28.482 -12.190 14.265 1.00 0.00 C ATOM 296 O VAL A 552 29.416 -12.930 13.940 1.00 0.00 O ATOM 297 CB VAL A 552 26.272 -13.361 13.740 1.00 0.00 C ATOM 298 CG1 VAL A 552 25.938 -13.515 15.230 1.00 0.00 C ATOM 299 CG2 VAL A 552 24.932 -13.213 12.994 1.00 0.00 C ATOM 0 H VAL A 552 27.343 -12.958 11.472 1.00 0.00 H new ATOM 0 HA VAL A 552 26.644 -11.267 13.687 1.00 0.00 H new ATOM 0 HB VAL A 552 26.828 -14.241 13.415 1.00 0.00 H new ATOM 0 HG11 VAL A 552 25.281 -14.374 15.369 1.00 0.00 H new ATOM 0 HG12 VAL A 552 26.858 -13.667 15.795 1.00 0.00 H new ATOM 0 HG13 VAL A 552 25.438 -12.614 15.586 1.00 0.00 H new ATOM 0 HG21 VAL A 552 24.290 -14.062 13.227 1.00 0.00 H new ATOM 0 HG22 VAL A 552 24.442 -12.291 13.306 1.00 0.00 H new ATOM 0 HG23 VAL A 552 25.115 -13.181 11.920 1.00 0.00 H new ATOM 309 N VAL A 553 28.541 -11.391 15.335 1.00 0.00 N ATOM 310 CA VAL A 553 29.703 -11.333 16.238 1.00 0.00 C ATOM 311 C VAL A 553 29.886 -12.708 16.917 1.00 0.00 C ATOM 312 O VAL A 553 28.949 -13.182 17.566 1.00 0.00 O ATOM 313 CB VAL A 553 29.552 -10.225 17.301 1.00 0.00 C ATOM 314 CG1 VAL A 553 30.745 -10.234 18.262 1.00 0.00 C ATOM 315 CG2 VAL A 553 29.489 -8.821 16.697 1.00 0.00 C ATOM 0 H VAL A 553 27.783 -10.763 15.603 1.00 0.00 H new ATOM 0 HA VAL A 553 30.585 -11.090 15.646 1.00 0.00 H new ATOM 0 HB VAL A 553 28.615 -10.442 17.813 1.00 0.00 H new ATOM 0 HG11 VAL A 553 30.620 -9.446 19.004 1.00 0.00 H new ATOM 0 HG12 VAL A 553 30.800 -11.200 18.764 1.00 0.00 H new ATOM 0 HG13 VAL A 553 31.664 -10.063 17.702 1.00 0.00 H new ATOM 0 HG21 VAL A 553 29.383 -8.086 17.495 1.00 0.00 H new ATOM 0 HG22 VAL A 553 30.405 -8.623 16.141 1.00 0.00 H new ATOM 0 HG23 VAL A 553 28.634 -8.752 16.024 1.00 0.00 H new ATOM 325 N PRO A 554 31.055 -13.362 16.791 1.00 0.00 N ATOM 326 CA PRO A 554 31.267 -14.708 17.327 1.00 0.00 C ATOM 327 C PRO A 554 31.385 -14.724 18.860 1.00 0.00 C ATOM 328 O PRO A 554 31.886 -13.776 19.472 1.00 0.00 O ATOM 329 CB PRO A 554 32.551 -15.218 16.662 1.00 0.00 C ATOM 330 CG PRO A 554 33.346 -13.938 16.408 1.00 0.00 C ATOM 331 CD PRO A 554 32.255 -12.908 16.099 1.00 0.00 C ATOM 0 HA PRO A 554 30.412 -15.348 17.108 1.00 0.00 H new ATOM 0 HB2 PRO A 554 33.093 -15.907 17.310 1.00 0.00 H new ATOM 0 HB3 PRO A 554 32.340 -15.751 15.735 1.00 0.00 H new ATOM 0 HG2 PRO A 554 33.937 -13.651 17.278 1.00 0.00 H new ATOM 0 HG3 PRO A 554 34.040 -14.053 15.575 1.00 0.00 H new ATOM 0 HD2 PRO A 554 32.549 -11.916 16.441 1.00 0.00 H new ATOM 0 HD3 PRO A 554 32.081 -12.836 15.025 1.00 0.00 H new ATOM 339 N GLU A 555 30.989 -15.841 19.472 1.00 0.00 N ATOM 340 CA GLU A 555 31.038 -16.052 20.932 1.00 0.00 C ATOM 341 C GLU A 555 32.462 -16.015 21.520 1.00 0.00 C ATOM 342 O GLU A 555 32.641 -15.772 22.711 1.00 0.00 O ATOM 343 CB GLU A 555 30.314 -17.372 21.283 1.00 0.00 C ATOM 344 CG GLU A 555 31.013 -18.650 20.764 1.00 0.00 C ATOM 345 CD GLU A 555 30.129 -19.905 20.913 1.00 0.00 C ATOM 346 OE1 GLU A 555 29.640 -20.179 22.039 1.00 0.00 O ATOM 347 OE2 GLU A 555 29.930 -20.643 19.914 1.00 0.00 O ATOM 0 H GLU A 555 30.617 -16.643 18.964 1.00 0.00 H new ATOM 0 HA GLU A 555 30.522 -15.212 21.397 1.00 0.00 H new ATOM 0 HB2 GLU A 555 30.218 -17.441 22.367 1.00 0.00 H new ATOM 0 HB3 GLU A 555 29.304 -17.336 20.876 1.00 0.00 H new ATOM 0 HG2 GLU A 555 31.276 -18.516 19.715 1.00 0.00 H new ATOM 0 HG3 GLU A 555 31.945 -18.798 21.310 1.00 0.00 H new ATOM 354 N THR A 556 33.489 -16.234 20.688 1.00 0.00 N ATOM 355 CA THR A 556 34.916 -16.157 21.047 1.00 0.00 C ATOM 356 C THR A 556 35.421 -14.718 21.212 1.00 0.00 C ATOM 357 O THR A 556 36.328 -14.471 22.013 1.00 0.00 O ATOM 358 CB THR A 556 35.785 -16.865 19.996 1.00 0.00 C ATOM 359 OG1 THR A 556 35.515 -16.319 18.716 1.00 0.00 O ATOM 360 CG2 THR A 556 35.530 -18.371 19.923 1.00 0.00 C ATOM 0 H THR A 556 33.346 -16.479 19.708 1.00 0.00 H new ATOM 0 HA THR A 556 35.003 -16.657 22.012 1.00 0.00 H new ATOM 0 HB THR A 556 36.821 -16.709 20.296 1.00 0.00 H new ATOM 0 HG1 THR A 556 36.070 -16.769 18.045 1.00 0.00 H new ATOM 0 HG21 THR A 556 36.174 -18.813 19.163 1.00 0.00 H new ATOM 0 HG22 THR A 556 35.747 -18.824 20.890 1.00 0.00 H new ATOM 0 HG23 THR A 556 34.487 -18.551 19.664 1.00 0.00 H new ATOM 368 N SER A 557 34.843 -13.757 20.482 1.00 0.00 N ATOM 369 CA SER A 557 35.262 -12.348 20.513 1.00 0.00 C ATOM 370 C SER A 557 34.560 -11.566 21.623 1.00 0.00 C ATOM 371 O SER A 557 33.607 -10.826 21.378 1.00 0.00 O ATOM 372 CB SER A 557 35.057 -11.696 19.142 1.00 0.00 C ATOM 373 OG SER A 557 35.969 -12.273 18.218 1.00 0.00 O ATOM 0 H SER A 557 34.065 -13.935 19.847 1.00 0.00 H new ATOM 0 HA SER A 557 36.327 -12.322 20.743 1.00 0.00 H new ATOM 0 HB2 SER A 557 34.032 -11.845 18.803 1.00 0.00 H new ATOM 0 HB3 SER A 557 35.218 -10.620 19.208 1.00 0.00 H new ATOM 0 HG SER A 557 36.324 -11.575 17.629 1.00 0.00 H new ATOM 379 N GLN A 558 35.048 -11.710 22.854 1.00 0.00 N ATOM 380 CA GLN A 558 34.488 -11.083 24.070 1.00 0.00 C ATOM 381 C GLN A 558 34.434 -9.547 23.999 1.00 0.00 C ATOM 382 O GLN A 558 33.515 -8.931 24.539 1.00 0.00 O ATOM 383 CB GLN A 558 35.317 -11.523 25.292 1.00 0.00 C ATOM 384 CG GLN A 558 35.254 -13.043 25.566 1.00 0.00 C ATOM 385 CD GLN A 558 36.058 -13.467 26.800 1.00 0.00 C ATOM 386 OE1 GLN A 558 36.680 -12.677 27.499 1.00 0.00 O ATOM 387 NE2 GLN A 558 36.082 -14.747 27.119 1.00 0.00 N ATOM 0 H GLN A 558 35.870 -12.282 23.048 1.00 0.00 H new ATOM 0 HA GLN A 558 33.456 -11.421 24.159 1.00 0.00 H new ATOM 0 HB2 GLN A 558 36.356 -11.232 25.139 1.00 0.00 H new ATOM 0 HB3 GLN A 558 34.962 -10.988 26.173 1.00 0.00 H new ATOM 0 HG2 GLN A 558 34.213 -13.339 25.699 1.00 0.00 H new ATOM 0 HG3 GLN A 558 35.629 -13.579 24.694 1.00 0.00 H new ATOM 0 HE21 GLN A 558 35.571 -15.424 26.552 1.00 0.00 H new ATOM 0 HE22 GLN A 558 36.611 -15.060 27.933 1.00 0.00 H new ATOM 396 N ASP A 559 35.393 -8.909 23.317 1.00 0.00 N ATOM 397 CA ASP A 559 35.441 -7.449 23.097 1.00 0.00 C ATOM 398 C ASP A 559 34.473 -6.965 21.994 1.00 0.00 C ATOM 399 O ASP A 559 34.251 -5.761 21.844 1.00 0.00 O ATOM 400 CB ASP A 559 36.884 -7.042 22.761 1.00 0.00 C ATOM 401 CG ASP A 559 37.196 -5.555 23.002 1.00 0.00 C ATOM 402 OD1 ASP A 559 36.673 -4.949 23.972 1.00 0.00 O ATOM 403 OD2 ASP A 559 38.035 -5.002 22.249 1.00 0.00 O ATOM 0 H ASP A 559 36.178 -9.401 22.891 1.00 0.00 H new ATOM 0 HA ASP A 559 35.112 -6.967 24.018 1.00 0.00 H new ATOM 0 HB2 ASP A 559 37.568 -7.646 23.358 1.00 0.00 H new ATOM 0 HB3 ASP A 559 37.081 -7.277 21.715 1.00 0.00 H new ATOM 408 N MET A 560 33.908 -7.889 21.200 1.00 0.00 N ATOM 409 CA MET A 560 33.030 -7.624 20.047 1.00 0.00 C ATOM 410 C MET A 560 33.639 -6.639 19.028 1.00 0.00 C ATOM 411 O MET A 560 32.930 -5.844 18.405 1.00 0.00 O ATOM 412 CB MET A 560 31.613 -7.234 20.507 1.00 0.00 C ATOM 413 CG MET A 560 31.024 -8.263 21.478 1.00 0.00 C ATOM 414 SD MET A 560 29.261 -8.061 21.823 1.00 0.00 S ATOM 415 CE MET A 560 28.672 -9.731 21.412 1.00 0.00 C ATOM 0 H MET A 560 34.057 -8.887 21.351 1.00 0.00 H new ATOM 0 HA MET A 560 32.937 -8.559 19.494 1.00 0.00 H new ATOM 0 HB2 MET A 560 31.644 -6.257 20.988 1.00 0.00 H new ATOM 0 HB3 MET A 560 30.962 -7.141 19.638 1.00 0.00 H new ATOM 0 HG2 MET A 560 31.188 -9.261 21.071 1.00 0.00 H new ATOM 0 HG3 MET A 560 31.572 -8.209 22.419 1.00 0.00 H new ATOM 0 HE1 MET A 560 27.732 -9.923 21.930 1.00 0.00 H new ATOM 0 HE2 MET A 560 28.516 -9.807 20.336 1.00 0.00 H new ATOM 0 HE3 MET A 560 29.414 -10.466 21.724 1.00 0.00 H new ATOM 425 N ALA A 561 34.957 -6.707 18.827 1.00 0.00 N ATOM 426 CA ALA A 561 35.700 -5.828 17.929 1.00 0.00 C ATOM 427 C ALA A 561 36.821 -6.567 17.177 1.00 0.00 C ATOM 428 O ALA A 561 37.406 -7.518 17.706 1.00 0.00 O ATOM 429 CB ALA A 561 36.248 -4.661 18.766 1.00 0.00 C ATOM 0 H ALA A 561 35.549 -7.392 19.297 1.00 0.00 H new ATOM 0 HA ALA A 561 35.033 -5.454 17.152 1.00 0.00 H new ATOM 0 HB1 ALA A 561 36.810 -3.984 18.122 1.00 0.00 H new ATOM 0 HB2 ALA A 561 35.419 -4.122 19.225 1.00 0.00 H new ATOM 0 HB3 ALA A 561 36.904 -5.049 19.545 1.00 0.00 H new ATOM 435 N PHE A 562 37.138 -6.113 15.957 1.00 0.00 N ATOM 436 CA PHE A 562 38.221 -6.667 15.128 1.00 0.00 C ATOM 437 C PHE A 562 38.768 -5.603 14.160 1.00 0.00 C ATOM 438 O PHE A 562 38.064 -4.653 13.823 1.00 0.00 O ATOM 439 CB PHE A 562 37.711 -7.898 14.357 1.00 0.00 C ATOM 440 CG PHE A 562 38.808 -8.874 13.972 1.00 0.00 C ATOM 441 CD1 PHE A 562 39.136 -9.939 14.826 1.00 0.00 C ATOM 442 CD2 PHE A 562 39.515 -8.710 12.764 1.00 0.00 C ATOM 443 CE1 PHE A 562 40.153 -10.841 14.471 1.00 0.00 C ATOM 444 CE2 PHE A 562 40.532 -9.611 12.402 1.00 0.00 C ATOM 445 CZ PHE A 562 40.851 -10.680 13.256 1.00 0.00 C ATOM 0 H PHE A 562 36.644 -5.340 15.511 1.00 0.00 H new ATOM 0 HA PHE A 562 39.039 -6.975 15.779 1.00 0.00 H new ATOM 0 HB2 PHE A 562 36.972 -8.418 14.967 1.00 0.00 H new ATOM 0 HB3 PHE A 562 37.200 -7.564 13.454 1.00 0.00 H new ATOM 0 HD1 PHE A 562 38.605 -10.065 15.758 1.00 0.00 H new ATOM 0 HD2 PHE A 562 39.274 -7.885 12.110 1.00 0.00 H new ATOM 0 HE1 PHE A 562 40.401 -11.660 15.130 1.00 0.00 H new ATOM 0 HE2 PHE A 562 41.065 -9.482 11.472 1.00 0.00 H new ATOM 0 HZ PHE A 562 41.629 -11.377 12.983 1.00 0.00 H new ATOM 455 N LYS A 563 40.020 -5.735 13.710 1.00 0.00 N ATOM 456 CA LYS A 563 40.699 -4.740 12.857 1.00 0.00 C ATOM 457 C LYS A 563 40.700 -5.116 11.372 1.00 0.00 C ATOM 458 O LYS A 563 41.046 -6.244 11.033 1.00 0.00 O ATOM 459 CB LYS A 563 42.116 -4.492 13.404 1.00 0.00 C ATOM 460 CG LYS A 563 42.863 -3.370 12.652 1.00 0.00 C ATOM 461 CD LYS A 563 44.134 -2.905 13.386 1.00 0.00 C ATOM 462 CE LYS A 563 45.157 -4.014 13.701 1.00 0.00 C ATOM 463 NZ LYS A 563 45.754 -4.608 12.473 1.00 0.00 N ATOM 0 H LYS A 563 40.602 -6.544 13.928 1.00 0.00 H new ATOM 0 HA LYS A 563 40.133 -3.810 12.901 1.00 0.00 H new ATOM 0 HB2 LYS A 563 42.052 -4.234 14.461 1.00 0.00 H new ATOM 0 HB3 LYS A 563 42.693 -5.414 13.336 1.00 0.00 H new ATOM 0 HG2 LYS A 563 43.132 -3.723 11.656 1.00 0.00 H new ATOM 0 HG3 LYS A 563 42.194 -2.520 12.519 1.00 0.00 H new ATOM 0 HD2 LYS A 563 44.625 -2.143 12.781 1.00 0.00 H new ATOM 0 HD3 LYS A 563 43.840 -2.429 14.321 1.00 0.00 H new ATOM 0 HE2 LYS A 563 45.951 -3.604 14.325 1.00 0.00 H new ATOM 0 HE3 LYS A 563 44.670 -4.799 14.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 46.434 -5.348 12.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 45.002 -5.025 11.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 46.243 -3.867 11.932 1.00 0.00 H new ATOM 477 N CYS A 564 40.379 -4.152 10.509 1.00 0.00 N ATOM 478 CA CYS A 564 40.516 -4.192 9.055 1.00 0.00 C ATOM 479 C CYS A 564 41.988 -3.997 8.643 1.00 0.00 C ATOM 480 O CYS A 564 42.501 -2.895 8.875 1.00 0.00 O ATOM 481 CB CYS A 564 39.701 -3.024 8.480 1.00 0.00 C ATOM 482 SG CYS A 564 39.632 -3.116 6.659 1.00 0.00 S ATOM 0 H CYS A 564 39.991 -3.265 10.829 1.00 0.00 H new ATOM 0 HA CYS A 564 40.167 -5.155 8.683 1.00 0.00 H new ATOM 0 HB2 CYS A 564 38.690 -3.044 8.888 1.00 0.00 H new ATOM 0 HB3 CYS A 564 40.149 -2.078 8.784 1.00 0.00 H new ATOM 487 N PRO A 565 42.651 -4.986 8.010 1.00 0.00 N ATOM 488 CA PRO A 565 44.019 -4.829 7.512 1.00 0.00 C ATOM 489 C PRO A 565 44.185 -3.753 6.420 1.00 0.00 C ATOM 490 O PRO A 565 45.263 -3.158 6.316 1.00 0.00 O ATOM 491 CB PRO A 565 44.428 -6.210 6.977 1.00 0.00 C ATOM 492 CG PRO A 565 43.530 -7.178 7.743 1.00 0.00 C ATOM 493 CD PRO A 565 42.243 -6.384 7.929 1.00 0.00 C ATOM 0 HA PRO A 565 44.655 -4.479 8.325 1.00 0.00 H new ATOM 0 HB2 PRO A 565 44.271 -6.285 5.901 1.00 0.00 H new ATOM 0 HB3 PRO A 565 45.483 -6.413 7.160 1.00 0.00 H new ATOM 0 HG2 PRO A 565 43.359 -8.097 7.183 1.00 0.00 H new ATOM 0 HG3 PRO A 565 43.969 -7.464 8.699 1.00 0.00 H new ATOM 0 HD2 PRO A 565 41.560 -6.545 7.095 1.00 0.00 H new ATOM 0 HD3 PRO A 565 41.720 -6.692 8.834 1.00 0.00 H new ATOM 501 N ILE A 566 43.144 -3.476 5.621 1.00 0.00 N ATOM 502 CA ILE A 566 43.221 -2.549 4.466 1.00 0.00 C ATOM 503 C ILE A 566 43.366 -1.096 4.924 1.00 0.00 C ATOM 504 O ILE A 566 44.388 -0.468 4.643 1.00 0.00 O ATOM 505 CB ILE A 566 42.017 -2.733 3.507 1.00 0.00 C ATOM 506 CG1 ILE A 566 42.085 -4.127 2.834 1.00 0.00 C ATOM 507 CG2 ILE A 566 41.979 -1.635 2.422 1.00 0.00 C ATOM 508 CD1 ILE A 566 40.784 -4.563 2.148 1.00 0.00 C ATOM 0 H ILE A 566 42.219 -3.886 5.752 1.00 0.00 H new ATOM 0 HA ILE A 566 44.120 -2.801 3.903 1.00 0.00 H new ATOM 0 HB ILE A 566 41.106 -2.653 4.100 1.00 0.00 H new ATOM 0 HG12 ILE A 566 42.887 -4.122 2.096 1.00 0.00 H new ATOM 0 HG13 ILE A 566 42.350 -4.868 3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 566 41.121 -1.798 1.769 1.00 0.00 H new ATOM 0 HG22 ILE A 566 41.893 -0.657 2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 566 42.895 -1.673 1.833 1.00 0.00 H new ATOM 0 HD11 ILE A 566 40.920 -5.549 1.704 1.00 0.00 H new ATOM 0 HD12 ILE A 566 39.981 -4.604 2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 566 40.526 -3.846 1.369 1.00 0.00 H new ATOM 520 N CYS A 567 42.395 -0.574 5.677 1.00 0.00 N ATOM 521 CA CYS A 567 42.407 0.802 6.187 1.00 0.00 C ATOM 522 C CYS A 567 43.001 0.930 7.612 1.00 0.00 C ATOM 523 O CYS A 567 43.154 2.040 8.124 1.00 0.00 O ATOM 524 CB CYS A 567 41.000 1.402 6.019 1.00 0.00 C ATOM 525 SG CYS A 567 39.807 0.724 7.223 1.00 0.00 S ATOM 0 H CYS A 567 41.567 -1.101 5.954 1.00 0.00 H new ATOM 0 HA CYS A 567 43.099 1.399 5.593 1.00 0.00 H new ATOM 0 HB2 CYS A 567 41.053 2.485 6.134 1.00 0.00 H new ATOM 0 HB3 CYS A 567 40.643 1.206 5.008 1.00 0.00 H new ATOM 530 N LYS A 568 43.386 -0.205 8.215 1.00 0.00 N ATOM 531 CA LYS A 568 43.928 -0.345 9.584 1.00 0.00 C ATOM 532 C LYS A 568 42.933 0.137 10.656 1.00 0.00 C ATOM 533 O LYS A 568 43.331 0.845 11.582 1.00 0.00 O ATOM 534 CB LYS A 568 45.348 0.256 9.695 1.00 0.00 C ATOM 535 CG LYS A 568 46.358 -0.333 8.684 1.00 0.00 C ATOM 536 CD LYS A 568 46.615 0.605 7.492 1.00 0.00 C ATOM 537 CE LYS A 568 47.618 0.005 6.495 1.00 0.00 C ATOM 538 NZ LYS A 568 46.992 -1.023 5.624 1.00 0.00 N ATOM 0 H LYS A 568 43.326 -1.104 7.737 1.00 0.00 H new ATOM 0 HA LYS A 568 44.053 -1.407 9.794 1.00 0.00 H new ATOM 0 HB2 LYS A 568 45.288 1.334 9.548 1.00 0.00 H new ATOM 0 HB3 LYS A 568 45.723 0.093 10.705 1.00 0.00 H new ATOM 0 HG2 LYS A 568 47.301 -0.535 9.193 1.00 0.00 H new ATOM 0 HG3 LYS A 568 45.983 -1.288 8.316 1.00 0.00 H new ATOM 0 HD2 LYS A 568 45.674 0.809 6.981 1.00 0.00 H new ATOM 0 HD3 LYS A 568 46.993 1.560 7.857 1.00 0.00 H new ATOM 0 HE2 LYS A 568 48.033 0.800 5.876 1.00 0.00 H new ATOM 0 HE3 LYS A 568 48.449 -0.441 7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 47.680 -1.340 4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 46.694 -1.834 6.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 46.163 -0.615 5.147 1.00 0.00 H new ATOM 552 N GLU A 569 41.643 -0.209 10.543 1.00 0.00 N ATOM 553 CA GLU A 569 40.601 0.325 11.451 1.00 0.00 C ATOM 554 C GLU A 569 39.804 -0.742 12.191 1.00 0.00 C ATOM 555 O GLU A 569 39.418 -1.755 11.614 1.00 0.00 O ATOM 556 CB GLU A 569 39.607 1.210 10.697 1.00 0.00 C ATOM 557 CG GLU A 569 40.152 2.563 10.218 1.00 0.00 C ATOM 558 CD GLU A 569 40.660 3.493 11.347 1.00 0.00 C ATOM 559 OE1 GLU A 569 41.488 4.394 11.063 1.00 0.00 O ATOM 560 OE2 GLU A 569 40.209 3.373 12.514 1.00 0.00 O ATOM 0 H GLU A 569 41.290 -0.854 9.836 1.00 0.00 H new ATOM 0 HA GLU A 569 41.160 0.899 12.189 1.00 0.00 H new ATOM 0 HB2 GLU A 569 39.242 0.659 9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 569 38.748 1.393 11.343 1.00 0.00 H new ATOM 0 HG2 GLU A 569 40.969 2.383 9.519 1.00 0.00 H new ATOM 0 HG3 GLU A 569 39.368 3.080 9.665 1.00 0.00 H new ATOM 567 N THR A 570 39.494 -0.492 13.465 1.00 0.00 N ATOM 568 CA THR A 570 38.713 -1.408 14.315 1.00 0.00 C ATOM 569 C THR A 570 37.204 -1.257 14.080 1.00 0.00 C ATOM 570 O THR A 570 36.625 -0.203 14.353 1.00 0.00 O ATOM 571 CB THR A 570 39.062 -1.191 15.798 1.00 0.00 C ATOM 572 OG1 THR A 570 40.436 -1.452 16.015 1.00 0.00 O ATOM 573 CG2 THR A 570 38.305 -2.132 16.731 1.00 0.00 C ATOM 0 H THR A 570 39.779 0.361 13.946 1.00 0.00 H new ATOM 0 HA THR A 570 38.981 -2.428 14.038 1.00 0.00 H new ATOM 0 HB THR A 570 38.790 -0.158 16.016 1.00 0.00 H new ATOM 0 HG1 THR A 570 40.651 -1.310 16.961 1.00 0.00 H new ATOM 0 HG21 THR A 570 38.593 -1.931 17.763 1.00 0.00 H new ATOM 0 HG22 THR A 570 37.233 -1.973 16.616 1.00 0.00 H new ATOM 0 HG23 THR A 570 38.548 -3.165 16.481 1.00 0.00 H new ATOM 581 N VAL A 571 36.557 -2.320 13.593 1.00 0.00 N ATOM 582 CA VAL A 571 35.087 -2.451 13.542 1.00 0.00 C ATOM 583 C VAL A 571 34.548 -2.855 14.915 1.00 0.00 C ATOM 584 O VAL A 571 35.227 -3.560 15.667 1.00 0.00 O ATOM 585 CB VAL A 571 34.637 -3.414 12.424 1.00 0.00 C ATOM 586 CG1 VAL A 571 34.732 -4.898 12.783 1.00 0.00 C ATOM 587 CG2 VAL A 571 33.191 -3.130 12.006 1.00 0.00 C ATOM 0 H VAL A 571 37.044 -3.132 13.215 1.00 0.00 H new ATOM 0 HA VAL A 571 34.660 -1.480 13.290 1.00 0.00 H new ATOM 0 HB VAL A 571 35.337 -3.224 11.610 1.00 0.00 H new ATOM 0 HG11 VAL A 571 34.395 -5.499 11.938 1.00 0.00 H new ATOM 0 HG12 VAL A 571 35.766 -5.150 13.018 1.00 0.00 H new ATOM 0 HG13 VAL A 571 34.102 -5.104 13.649 1.00 0.00 H new ATOM 0 HG21 VAL A 571 32.898 -3.822 11.217 1.00 0.00 H new ATOM 0 HG22 VAL A 571 32.532 -3.259 12.865 1.00 0.00 H new ATOM 0 HG23 VAL A 571 33.113 -2.107 11.639 1.00 0.00 H new ATOM 597 N THR A 572 33.323 -2.438 15.251 1.00 0.00 N ATOM 598 CA THR A 572 32.661 -2.724 16.532 1.00 0.00 C ATOM 599 C THR A 572 31.288 -3.361 16.318 1.00 0.00 C ATOM 600 O THR A 572 30.568 -3.027 15.379 1.00 0.00 O ATOM 601 CB THR A 572 32.542 -1.461 17.406 1.00 0.00 C ATOM 602 OG1 THR A 572 31.891 -0.395 16.740 1.00 0.00 O ATOM 603 CG2 THR A 572 33.910 -0.937 17.838 1.00 0.00 C ATOM 0 H THR A 572 32.747 -1.877 14.624 1.00 0.00 H new ATOM 0 HA THR A 572 33.289 -3.439 17.063 1.00 0.00 H new ATOM 0 HB THR A 572 31.956 -1.777 18.269 1.00 0.00 H new ATOM 0 HG1 THR A 572 31.839 0.381 17.337 1.00 0.00 H new ATOM 0 HG21 THR A 572 33.781 -0.046 18.452 1.00 0.00 H new ATOM 0 HG22 THR A 572 34.428 -1.704 18.415 1.00 0.00 H new ATOM 0 HG23 THR A 572 34.499 -0.687 16.956 1.00 0.00 H new ATOM 611 N GLY A 573 30.928 -4.310 17.187 1.00 0.00 N ATOM 612 CA GLY A 573 29.673 -5.061 17.130 1.00 0.00 C ATOM 613 C GLY A 573 28.460 -4.224 17.537 1.00 0.00 C ATOM 614 O GLY A 573 28.553 -3.361 18.413 1.00 0.00 O ATOM 0 H GLY A 573 31.519 -4.584 17.972 1.00 0.00 H new ATOM 0 HA2 GLY A 573 29.526 -5.436 16.117 1.00 0.00 H new ATOM 0 HA3 GLY A 573 29.745 -5.930 17.785 1.00 0.00 H new ATOM 618 N VAL A 574 27.310 -4.509 16.921 1.00 0.00 N ATOM 619 CA VAL A 574 26.043 -3.807 17.156 1.00 0.00 C ATOM 620 C VAL A 574 24.875 -4.780 17.298 1.00 0.00 C ATOM 621 O VAL A 574 24.697 -5.646 16.448 1.00 0.00 O ATOM 622 CB VAL A 574 25.756 -2.795 16.018 1.00 0.00 C ATOM 623 CG1 VAL A 574 24.436 -2.041 16.232 1.00 0.00 C ATOM 624 CG2 VAL A 574 26.870 -1.747 15.881 1.00 0.00 C ATOM 0 H VAL A 574 27.231 -5.253 16.227 1.00 0.00 H new ATOM 0 HA VAL A 574 26.145 -3.264 18.096 1.00 0.00 H new ATOM 0 HB VAL A 574 25.697 -3.397 15.111 1.00 0.00 H new ATOM 0 HG11 VAL A 574 24.278 -1.343 15.409 1.00 0.00 H new ATOM 0 HG12 VAL A 574 23.612 -2.753 16.267 1.00 0.00 H new ATOM 0 HG13 VAL A 574 24.480 -1.490 17.172 1.00 0.00 H new ATOM 0 HG21 VAL A 574 26.625 -1.060 15.071 1.00 0.00 H new ATOM 0 HG22 VAL A 574 26.963 -1.191 16.814 1.00 0.00 H new ATOM 0 HG23 VAL A 574 27.814 -2.246 15.661 1.00 0.00 H new ATOM 634 N TYR A 575 24.061 -4.640 18.342 1.00 0.00 N ATOM 635 CA TYR A 575 22.892 -5.491 18.560 1.00 0.00 C ATOM 636 C TYR A 575 21.794 -5.245 17.511 1.00 0.00 C ATOM 637 O TYR A 575 21.212 -4.158 17.450 1.00 0.00 O ATOM 638 CB TYR A 575 22.371 -5.284 19.987 1.00 0.00 C ATOM 639 CG TYR A 575 21.252 -6.234 20.363 1.00 0.00 C ATOM 640 CD1 TYR A 575 19.911 -5.823 20.285 1.00 0.00 C ATOM 641 CD2 TYR A 575 21.553 -7.545 20.793 1.00 0.00 C ATOM 642 CE1 TYR A 575 18.875 -6.706 20.646 1.00 0.00 C ATOM 643 CE2 TYR A 575 20.528 -8.435 21.160 1.00 0.00 C ATOM 644 CZ TYR A 575 19.182 -8.013 21.094 1.00 0.00 C ATOM 645 OH TYR A 575 18.177 -8.851 21.465 1.00 0.00 O ATOM 0 H TYR A 575 24.193 -3.931 19.063 1.00 0.00 H new ATOM 0 HA TYR A 575 23.194 -6.532 18.442 1.00 0.00 H new ATOM 0 HB2 TYR A 575 23.196 -5.410 20.689 1.00 0.00 H new ATOM 0 HB3 TYR A 575 22.017 -4.258 20.091 1.00 0.00 H new ATOM 0 HD1 TYR A 575 19.673 -4.825 19.947 1.00 0.00 H new ATOM 0 HD2 TYR A 575 22.583 -7.868 20.841 1.00 0.00 H new ATOM 0 HE1 TYR A 575 17.846 -6.386 20.581 1.00 0.00 H new ATOM 0 HE2 TYR A 575 20.769 -9.435 21.490 1.00 0.00 H new ATOM 0 HH TYR A 575 18.555 -9.710 21.746 1.00 0.00 H new ATOM 655 N ASP A 576 21.491 -6.255 16.693 1.00 0.00 N ATOM 656 CA ASP A 576 20.331 -6.262 15.799 1.00 0.00 C ATOM 657 C ASP A 576 19.095 -6.785 16.546 1.00 0.00 C ATOM 658 O ASP A 576 19.069 -7.936 16.984 1.00 0.00 O ATOM 659 CB ASP A 576 20.613 -7.146 14.576 1.00 0.00 C ATOM 660 CG ASP A 576 19.439 -7.203 13.577 1.00 0.00 C ATOM 661 OD1 ASP A 576 19.375 -8.193 12.817 1.00 0.00 O ATOM 662 OD2 ASP A 576 18.579 -6.291 13.556 1.00 0.00 O ATOM 0 H ASP A 576 22.053 -7.104 16.632 1.00 0.00 H new ATOM 0 HA ASP A 576 20.140 -5.243 15.463 1.00 0.00 H new ATOM 0 HB2 ASP A 576 21.499 -6.772 14.063 1.00 0.00 H new ATOM 0 HB3 ASP A 576 20.843 -8.157 14.913 1.00 0.00 H new ATOM 667 N GLU A 577 18.056 -5.959 16.652 1.00 0.00 N ATOM 668 CA GLU A 577 16.781 -6.330 17.283 1.00 0.00 C ATOM 669 C GLU A 577 15.976 -7.369 16.466 1.00 0.00 C ATOM 670 O GLU A 577 15.143 -8.074 17.030 1.00 0.00 O ATOM 671 CB GLU A 577 15.921 -5.072 17.510 1.00 0.00 C ATOM 672 CG GLU A 577 16.597 -4.025 18.406 1.00 0.00 C ATOM 673 CD GLU A 577 15.639 -2.877 18.811 1.00 0.00 C ATOM 674 OE1 GLU A 577 14.841 -2.403 17.967 1.00 0.00 O ATOM 675 OE2 GLU A 577 15.701 -2.420 19.983 1.00 0.00 O ATOM 0 H GLU A 577 18.071 -5.002 16.300 1.00 0.00 H new ATOM 0 HA GLU A 577 17.029 -6.798 18.236 1.00 0.00 H new ATOM 0 HB2 GLU A 577 15.691 -4.620 16.545 1.00 0.00 H new ATOM 0 HB3 GLU A 577 14.972 -5.366 17.959 1.00 0.00 H new ATOM 0 HG2 GLU A 577 16.975 -4.512 19.305 1.00 0.00 H new ATOM 0 HG3 GLU A 577 17.458 -3.607 17.884 1.00 0.00 H new ATOM 682 N GLU A 578 16.203 -7.480 15.149 1.00 0.00 N ATOM 683 CA GLU A 578 15.486 -8.423 14.280 1.00 0.00 C ATOM 684 C GLU A 578 16.056 -9.850 14.394 1.00 0.00 C ATOM 685 O GLU A 578 15.302 -10.797 14.627 1.00 0.00 O ATOM 686 CB GLU A 578 15.484 -7.902 12.829 1.00 0.00 C ATOM 687 CG GLU A 578 14.347 -8.484 11.961 1.00 0.00 C ATOM 688 CD GLU A 578 14.530 -9.961 11.533 1.00 0.00 C ATOM 689 OE1 GLU A 578 15.644 -10.353 11.108 1.00 0.00 O ATOM 690 OE2 GLU A 578 13.533 -10.724 11.564 1.00 0.00 O ATOM 0 H GLU A 578 16.893 -6.915 14.655 1.00 0.00 H new ATOM 0 HA GLU A 578 14.450 -8.488 14.613 1.00 0.00 H new ATOM 0 HB2 GLU A 578 15.399 -6.815 12.843 1.00 0.00 H new ATOM 0 HB3 GLU A 578 16.441 -8.141 12.366 1.00 0.00 H new ATOM 0 HG2 GLU A 578 13.411 -8.396 12.512 1.00 0.00 H new ATOM 0 HG3 GLU A 578 14.248 -7.873 11.064 1.00 0.00 H new ATOM 697 N SER A 579 17.385 -10.010 14.321 1.00 0.00 N ATOM 698 CA SER A 579 18.078 -11.280 14.626 1.00 0.00 C ATOM 699 C SER A 579 18.081 -11.598 16.127 1.00 0.00 C ATOM 700 O SER A 579 18.101 -12.767 16.522 1.00 0.00 O ATOM 701 CB SER A 579 19.537 -11.252 14.148 1.00 0.00 C ATOM 702 OG SER A 579 19.630 -11.004 12.760 1.00 0.00 O ATOM 0 H SER A 579 18.018 -9.259 14.047 1.00 0.00 H new ATOM 0 HA SER A 579 17.521 -12.052 14.095 1.00 0.00 H new ATOM 0 HB2 SER A 579 20.083 -10.481 14.692 1.00 0.00 H new ATOM 0 HB3 SER A 579 20.014 -12.204 14.380 1.00 0.00 H new ATOM 0 HG SER A 579 19.572 -10.040 12.595 1.00 0.00 H new ATOM 708 N GLY A 580 18.041 -10.558 16.963 1.00 0.00 N ATOM 709 CA GLY A 580 18.172 -10.653 18.416 1.00 0.00 C ATOM 710 C GLY A 580 19.606 -10.907 18.896 1.00 0.00 C ATOM 711 O GLY A 580 19.800 -11.484 19.967 1.00 0.00 O ATOM 0 H GLY A 580 17.913 -9.600 16.637 1.00 0.00 H new ATOM 0 HA2 GLY A 580 17.808 -9.729 18.865 1.00 0.00 H new ATOM 0 HA3 GLY A 580 17.531 -11.457 18.777 1.00 0.00 H new ATOM 715 N GLU A 581 20.609 -10.532 18.090 1.00 0.00 N ATOM 716 CA GLU A 581 22.031 -10.854 18.274 1.00 0.00 C ATOM 717 C GLU A 581 22.944 -9.737 17.739 1.00 0.00 C ATOM 718 O GLU A 581 22.542 -8.918 16.906 1.00 0.00 O ATOM 719 CB GLU A 581 22.376 -12.186 17.575 1.00 0.00 C ATOM 720 CG GLU A 581 21.747 -13.409 18.252 1.00 0.00 C ATOM 721 CD GLU A 581 22.328 -14.728 17.708 1.00 0.00 C ATOM 722 OE1 GLU A 581 22.036 -15.095 16.544 1.00 0.00 O ATOM 723 OE2 GLU A 581 23.072 -15.417 18.450 1.00 0.00 O ATOM 0 H GLU A 581 20.444 -9.971 17.254 1.00 0.00 H new ATOM 0 HA GLU A 581 22.205 -10.949 19.346 1.00 0.00 H new ATOM 0 HB2 GLU A 581 22.041 -12.141 16.539 1.00 0.00 H new ATOM 0 HB3 GLU A 581 23.459 -12.308 17.555 1.00 0.00 H new ATOM 0 HG2 GLU A 581 21.914 -13.355 19.328 1.00 0.00 H new ATOM 0 HG3 GLU A 581 20.668 -13.396 18.096 1.00 0.00 H new ATOM 730 N TRP A 582 24.192 -9.704 18.200 1.00 0.00 N ATOM 731 CA TRP A 582 25.189 -8.705 17.795 1.00 0.00 C ATOM 732 C TRP A 582 25.764 -9.007 16.400 1.00 0.00 C ATOM 733 O TRP A 582 26.062 -10.157 16.082 1.00 0.00 O ATOM 734 CB TRP A 582 26.286 -8.618 18.867 1.00 0.00 C ATOM 735 CG TRP A 582 25.827 -8.177 20.230 1.00 0.00 C ATOM 736 CD1 TRP A 582 25.226 -8.960 21.158 1.00 0.00 C ATOM 737 CD2 TRP A 582 25.906 -6.845 20.835 1.00 0.00 C ATOM 738 NE1 TRP A 582 24.925 -8.208 22.279 1.00 0.00 N ATOM 739 CE2 TRP A 582 25.317 -6.895 22.131 1.00 0.00 C ATOM 740 CE3 TRP A 582 26.434 -5.603 20.425 1.00 0.00 C ATOM 741 CZ2 TRP A 582 25.219 -5.768 22.963 1.00 0.00 C ATOM 742 CZ3 TRP A 582 26.341 -4.463 21.248 1.00 0.00 C ATOM 743 CH2 TRP A 582 25.732 -4.539 22.509 1.00 0.00 C ATOM 0 H TRP A 582 24.549 -10.379 18.876 1.00 0.00 H new ATOM 0 HA TRP A 582 24.704 -7.732 17.715 1.00 0.00 H new ATOM 0 HB2 TRP A 582 26.757 -9.597 18.960 1.00 0.00 H new ATOM 0 HB3 TRP A 582 27.054 -7.927 18.520 1.00 0.00 H new ATOM 0 HD1 TRP A 582 25.014 -10.012 21.040 1.00 0.00 H new ATOM 0 HE1 TRP A 582 24.469 -8.579 23.112 1.00 0.00 H new ATOM 0 HE3 TRP A 582 26.918 -5.524 19.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 582 24.757 -5.843 23.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 582 26.743 -3.521 20.904 1.00 0.00 H new ATOM 0 HH2 TRP A 582 25.657 -3.658 23.129 1.00 0.00 H new ATOM 754 N VAL A 583 25.966 -7.973 15.581 1.00 0.00 N ATOM 755 CA VAL A 583 26.490 -8.046 14.204 1.00 0.00 C ATOM 756 C VAL A 583 27.602 -7.015 13.939 1.00 0.00 C ATOM 757 O VAL A 583 27.624 -5.918 14.494 1.00 0.00 O ATOM 758 CB VAL A 583 25.384 -7.896 13.137 1.00 0.00 C ATOM 759 CG1 VAL A 583 24.444 -9.102 13.106 1.00 0.00 C ATOM 760 CG2 VAL A 583 24.535 -6.625 13.275 1.00 0.00 C ATOM 0 H VAL A 583 25.761 -7.016 15.867 1.00 0.00 H new ATOM 0 HA VAL A 583 26.917 -9.045 14.118 1.00 0.00 H new ATOM 0 HB VAL A 583 25.939 -7.825 12.202 1.00 0.00 H new ATOM 0 HG11 VAL A 583 23.683 -8.951 12.340 1.00 0.00 H new ATOM 0 HG12 VAL A 583 25.015 -10.002 12.878 1.00 0.00 H new ATOM 0 HG13 VAL A 583 23.963 -9.214 14.078 1.00 0.00 H new ATOM 0 HG21 VAL A 583 23.784 -6.602 12.485 1.00 0.00 H new ATOM 0 HG22 VAL A 583 24.041 -6.621 14.246 1.00 0.00 H new ATOM 0 HG23 VAL A 583 25.177 -5.748 13.191 1.00 0.00 H new ATOM 770 N TRP A 584 28.509 -7.372 13.036 1.00 0.00 N ATOM 771 CA TRP A 584 29.581 -6.553 12.487 1.00 0.00 C ATOM 772 C TRP A 584 29.129 -6.048 11.114 1.00 0.00 C ATOM 773 O TRP A 584 29.113 -6.799 10.136 1.00 0.00 O ATOM 774 CB TRP A 584 30.866 -7.403 12.448 1.00 0.00 C ATOM 775 CG TRP A 584 31.696 -7.428 13.698 1.00 0.00 C ATOM 776 CD1 TRP A 584 31.775 -6.442 14.627 1.00 0.00 C ATOM 777 CD2 TRP A 584 32.631 -8.461 14.154 1.00 0.00 C ATOM 778 NE1 TRP A 584 32.616 -6.830 15.652 1.00 0.00 N ATOM 779 CE2 TRP A 584 33.172 -8.066 15.414 1.00 0.00 C ATOM 780 CE3 TRP A 584 33.068 -9.704 13.642 1.00 0.00 C ATOM 781 CZ2 TRP A 584 34.046 -8.874 16.152 1.00 0.00 C ATOM 782 CZ3 TRP A 584 33.965 -10.517 14.362 1.00 0.00 C ATOM 783 CH2 TRP A 584 34.438 -10.110 15.622 1.00 0.00 C ATOM 0 H TRP A 584 28.513 -8.312 12.640 1.00 0.00 H new ATOM 0 HA TRP A 584 29.802 -5.677 13.096 1.00 0.00 H new ATOM 0 HB2 TRP A 584 30.588 -8.428 12.203 1.00 0.00 H new ATOM 0 HB3 TRP A 584 31.490 -7.039 11.632 1.00 0.00 H new ATOM 0 HD1 TRP A 584 31.258 -5.495 14.573 1.00 0.00 H new ATOM 0 HE1 TRP A 584 32.802 -6.269 16.483 1.00 0.00 H new ATOM 0 HE3 TRP A 584 32.707 -10.037 12.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 584 34.412 -8.549 17.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 584 34.291 -11.458 13.944 1.00 0.00 H new ATOM 0 HH2 TRP A 584 35.104 -10.751 16.181 1.00 0.00 H new ATOM 794 N LYS A 585 28.692 -4.782 11.070 1.00 0.00 N ATOM 795 CA LYS A 585 28.185 -4.103 9.861 1.00 0.00 C ATOM 796 C LYS A 585 29.313 -3.815 8.861 1.00 0.00 C ATOM 797 O LYS A 585 30.465 -3.627 9.264 1.00 0.00 O ATOM 798 CB LYS A 585 27.484 -2.784 10.258 1.00 0.00 C ATOM 799 CG LYS A 585 26.254 -2.947 11.166 1.00 0.00 C ATOM 800 CD LYS A 585 25.087 -3.682 10.490 1.00 0.00 C ATOM 801 CE LYS A 585 23.829 -3.555 11.364 1.00 0.00 C ATOM 802 NZ LYS A 585 22.654 -4.218 10.733 1.00 0.00 N ATOM 0 H LYS A 585 28.679 -4.182 11.895 1.00 0.00 H new ATOM 0 HA LYS A 585 27.470 -4.768 9.376 1.00 0.00 H new ATOM 0 HB2 LYS A 585 28.207 -2.144 10.764 1.00 0.00 H new ATOM 0 HB3 LYS A 585 27.179 -2.265 9.349 1.00 0.00 H new ATOM 0 HG2 LYS A 585 26.545 -3.492 12.064 1.00 0.00 H new ATOM 0 HG3 LYS A 585 25.916 -1.962 11.487 1.00 0.00 H new ATOM 0 HD2 LYS A 585 24.901 -3.261 9.502 1.00 0.00 H new ATOM 0 HD3 LYS A 585 25.339 -4.733 10.346 1.00 0.00 H new ATOM 0 HE2 LYS A 585 24.018 -4.000 12.341 1.00 0.00 H new ATOM 0 HE3 LYS A 585 23.606 -2.501 11.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 585 21.823 -4.113 11.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 585 22.459 -3.776 9.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 585 22.858 -5.229 10.596 1.00 0.00 H new ATOM 816 N ASN A 586 28.986 -3.759 7.565 1.00 0.00 N ATOM 817 CA ASN A 586 29.928 -3.540 6.456 1.00 0.00 C ATOM 818 C ASN A 586 31.162 -4.470 6.520 1.00 0.00 C ATOM 819 O ASN A 586 32.286 -4.031 6.296 1.00 0.00 O ATOM 820 CB ASN A 586 30.266 -2.034 6.353 1.00 0.00 C ATOM 821 CG ASN A 586 31.092 -1.659 5.127 1.00 0.00 C ATOM 822 OD1 ASN A 586 31.093 -2.330 4.109 1.00 0.00 O ATOM 823 ND2 ASN A 586 31.830 -0.576 5.175 1.00 0.00 N ATOM 0 H ASN A 586 28.024 -3.869 7.246 1.00 0.00 H new ATOM 0 HA ASN A 586 29.445 -3.827 5.522 1.00 0.00 H new ATOM 0 HB2 ASN A 586 29.336 -1.465 6.338 1.00 0.00 H new ATOM 0 HB3 ASN A 586 30.810 -1.733 7.249 1.00 0.00 H new ATOM 0 HD21 ASN A 586 32.393 -0.306 4.368 1.00 0.00 H new ATOM 0 HD22 ASN A 586 31.841 -0.003 6.019 1.00 0.00 H new ATOM 830 N THR A 587 30.979 -5.748 6.879 1.00 0.00 N ATOM 831 CA THR A 587 32.083 -6.700 7.163 1.00 0.00 C ATOM 832 C THR A 587 32.006 -7.960 6.298 1.00 0.00 C ATOM 833 O THR A 587 30.924 -8.418 5.934 1.00 0.00 O ATOM 834 CB THR A 587 32.152 -7.039 8.663 1.00 0.00 C ATOM 835 OG1 THR A 587 32.408 -5.862 9.400 1.00 0.00 O ATOM 836 CG2 THR A 587 33.276 -8.005 9.059 1.00 0.00 C ATOM 0 H THR A 587 30.053 -6.163 6.984 1.00 0.00 H new ATOM 0 HA THR A 587 33.013 -6.200 6.892 1.00 0.00 H new ATOM 0 HB THR A 587 31.192 -7.508 8.878 1.00 0.00 H new ATOM 0 HG1 THR A 587 31.675 -5.226 9.266 1.00 0.00 H new ATOM 0 HG21 THR A 587 33.242 -8.182 10.134 1.00 0.00 H new ATOM 0 HG22 THR A 587 33.146 -8.950 8.532 1.00 0.00 H new ATOM 0 HG23 THR A 587 34.240 -7.571 8.793 1.00 0.00 H new ATOM 844 N ILE A 588 33.174 -8.517 5.967 1.00 0.00 N ATOM 845 CA ILE A 588 33.400 -9.698 5.124 1.00 0.00 C ATOM 846 C ILE A 588 34.571 -10.530 5.683 1.00 0.00 C ATOM 847 O ILE A 588 35.508 -9.987 6.267 1.00 0.00 O ATOM 848 CB ILE A 588 33.612 -9.269 3.644 1.00 0.00 C ATOM 849 CG1 ILE A 588 33.857 -10.488 2.730 1.00 0.00 C ATOM 850 CG2 ILE A 588 34.783 -8.283 3.470 1.00 0.00 C ATOM 851 CD1 ILE A 588 33.765 -10.172 1.231 1.00 0.00 C ATOM 0 H ILE A 588 34.053 -8.126 6.306 1.00 0.00 H new ATOM 0 HA ILE A 588 32.519 -10.339 5.142 1.00 0.00 H new ATOM 0 HB ILE A 588 32.689 -8.767 3.354 1.00 0.00 H new ATOM 0 HG12 ILE A 588 34.844 -10.898 2.945 1.00 0.00 H new ATOM 0 HG13 ILE A 588 33.130 -11.263 2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 588 34.883 -8.019 2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 588 34.590 -7.382 4.053 1.00 0.00 H new ATOM 0 HG23 ILE A 588 35.705 -8.749 3.817 1.00 0.00 H new ATOM 0 HD11 ILE A 588 33.949 -11.079 0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 588 32.770 -9.791 1.000 1.00 0.00 H new ATOM 0 HD13 ILE A 588 34.510 -9.420 0.971 1.00 0.00 H new ATOM 863 N GLU A 589 34.530 -11.851 5.499 1.00 0.00 N ATOM 864 CA GLU A 589 35.645 -12.763 5.781 1.00 0.00 C ATOM 865 C GLU A 589 36.265 -13.290 4.472 1.00 0.00 C ATOM 866 O GLU A 589 35.546 -13.776 3.593 1.00 0.00 O ATOM 867 CB GLU A 589 35.156 -13.915 6.679 1.00 0.00 C ATOM 868 CG GLU A 589 36.320 -14.777 7.197 1.00 0.00 C ATOM 869 CD GLU A 589 35.889 -16.027 7.997 1.00 0.00 C ATOM 870 OE1 GLU A 589 34.706 -16.447 7.947 1.00 0.00 O ATOM 871 OE2 GLU A 589 36.765 -16.632 8.663 1.00 0.00 O ATOM 0 H GLU A 589 33.703 -12.329 5.142 1.00 0.00 H new ATOM 0 HA GLU A 589 36.427 -12.220 6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 589 34.604 -13.506 7.525 1.00 0.00 H new ATOM 0 HB3 GLU A 589 34.462 -14.542 6.119 1.00 0.00 H new ATOM 0 HG2 GLU A 589 36.924 -15.096 6.348 1.00 0.00 H new ATOM 0 HG3 GLU A 589 36.959 -14.160 7.829 1.00 0.00 H new ATOM 878 N VAL A 590 37.593 -13.219 4.337 1.00 0.00 N ATOM 879 CA VAL A 590 38.357 -13.731 3.181 1.00 0.00 C ATOM 880 C VAL A 590 39.790 -14.094 3.601 1.00 0.00 C ATOM 881 O VAL A 590 40.369 -13.468 4.492 1.00 0.00 O ATOM 882 CB VAL A 590 38.301 -12.738 1.992 1.00 0.00 C ATOM 883 CG1 VAL A 590 38.892 -11.363 2.319 1.00 0.00 C ATOM 884 CG2 VAL A 590 39.005 -13.281 0.743 1.00 0.00 C ATOM 0 H VAL A 590 38.189 -12.792 5.046 1.00 0.00 H new ATOM 0 HA VAL A 590 37.892 -14.651 2.827 1.00 0.00 H new ATOM 0 HB VAL A 590 37.236 -12.621 1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 590 38.820 -10.718 1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 590 38.338 -10.916 3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 590 39.939 -11.475 2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 590 38.937 -12.548 -0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 590 40.053 -13.474 0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 590 38.526 -14.208 0.429 1.00 0.00 H new ATOM 894 N ASN A 591 40.363 -15.143 2.995 1.00 0.00 N ATOM 895 CA ASN A 591 41.708 -15.666 3.303 1.00 0.00 C ATOM 896 C ASN A 591 41.919 -15.989 4.806 1.00 0.00 C ATOM 897 O ASN A 591 43.022 -15.874 5.344 1.00 0.00 O ATOM 898 CB ASN A 591 42.771 -14.735 2.678 1.00 0.00 C ATOM 899 CG ASN A 591 44.144 -15.378 2.560 1.00 0.00 C ATOM 900 OD1 ASN A 591 45.128 -14.944 3.144 1.00 0.00 O ATOM 901 ND2 ASN A 591 44.268 -16.432 1.781 1.00 0.00 N ATOM 0 H ASN A 591 39.894 -15.668 2.257 1.00 0.00 H new ATOM 0 HA ASN A 591 41.822 -16.645 2.838 1.00 0.00 H new ATOM 0 HB2 ASN A 591 42.436 -14.427 1.687 1.00 0.00 H new ATOM 0 HB3 ASN A 591 42.852 -13.831 3.282 1.00 0.00 H new ATOM 0 HD21 ASN A 591 45.178 -16.879 1.669 1.00 0.00 H new ATOM 0 HD22 ASN A 591 43.454 -16.802 1.290 1.00 0.00 H new ATOM 908 N GLY A 592 40.843 -16.385 5.500 1.00 0.00 N ATOM 909 CA GLY A 592 40.840 -16.720 6.929 1.00 0.00 C ATOM 910 C GLY A 592 40.874 -15.526 7.900 1.00 0.00 C ATOM 911 O GLY A 592 41.081 -15.735 9.098 1.00 0.00 O ATOM 0 H GLY A 592 39.924 -16.484 5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 592 39.949 -17.311 7.142 1.00 0.00 H new ATOM 0 HA3 GLY A 592 41.701 -17.356 7.135 1.00 0.00 H new ATOM 915 N LYS A 593 40.675 -14.290 7.417 1.00 0.00 N ATOM 916 CA LYS A 593 40.680 -13.039 8.206 1.00 0.00 C ATOM 917 C LYS A 593 39.514 -12.113 7.839 1.00 0.00 C ATOM 918 O LYS A 593 38.901 -12.243 6.778 1.00 0.00 O ATOM 919 CB LYS A 593 42.040 -12.321 8.046 1.00 0.00 C ATOM 920 CG LYS A 593 43.185 -13.078 8.734 1.00 0.00 C ATOM 921 CD LYS A 593 44.503 -12.300 8.656 1.00 0.00 C ATOM 922 CE LYS A 593 45.602 -13.089 9.373 1.00 0.00 C ATOM 923 NZ LYS A 593 46.913 -12.392 9.319 1.00 0.00 N ATOM 0 H LYS A 593 40.499 -14.123 6.426 1.00 0.00 H new ATOM 0 HA LYS A 593 40.541 -13.305 9.254 1.00 0.00 H new ATOM 0 HB2 LYS A 593 42.267 -12.210 6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 593 41.969 -11.317 8.464 1.00 0.00 H new ATOM 0 HG2 LYS A 593 42.928 -13.256 9.778 1.00 0.00 H new ATOM 0 HG3 LYS A 593 43.310 -14.054 8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 593 44.779 -12.134 7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 593 44.386 -11.318 9.115 1.00 0.00 H new ATOM 0 HE2 LYS A 593 45.317 -13.244 10.413 1.00 0.00 H new ATOM 0 HE3 LYS A 593 45.696 -14.075 8.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 47.629 -12.960 9.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 47.199 -12.266 8.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 46.831 -11.462 9.776 1.00 0.00 H new ATOM 937 N TYR A 594 39.202 -11.174 8.731 1.00 0.00 N ATOM 938 CA TYR A 594 38.140 -10.180 8.528 1.00 0.00 C ATOM 939 C TYR A 594 38.621 -8.898 7.855 1.00 0.00 C ATOM 940 O TYR A 594 39.757 -8.457 8.026 1.00 0.00 O ATOM 941 CB TYR A 594 37.478 -9.829 9.859 1.00 0.00 C ATOM 942 CG TYR A 594 36.738 -11.007 10.455 1.00 0.00 C ATOM 943 CD1 TYR A 594 35.586 -11.479 9.800 1.00 0.00 C ATOM 944 CD2 TYR A 594 37.219 -11.665 11.604 1.00 0.00 C ATOM 945 CE1 TYR A 594 34.924 -12.619 10.278 1.00 0.00 C ATOM 946 CE2 TYR A 594 36.547 -12.805 12.094 1.00 0.00 C ATOM 947 CZ TYR A 594 35.398 -13.287 11.429 1.00 0.00 C ATOM 948 OH TYR A 594 34.751 -14.393 11.886 1.00 0.00 O ATOM 0 H TYR A 594 39.682 -11.078 9.626 1.00 0.00 H new ATOM 0 HA TYR A 594 37.422 -10.647 7.853 1.00 0.00 H new ATOM 0 HB2 TYR A 594 38.237 -9.485 10.562 1.00 0.00 H new ATOM 0 HB3 TYR A 594 36.783 -9.002 9.711 1.00 0.00 H new ATOM 0 HD1 TYR A 594 35.211 -10.963 8.928 1.00 0.00 H new ATOM 0 HD2 TYR A 594 38.100 -11.298 12.109 1.00 0.00 H new ATOM 0 HE1 TYR A 594 34.048 -12.988 9.764 1.00 0.00 H new ATOM 0 HE2 TYR A 594 36.911 -13.309 12.977 1.00 0.00 H new ATOM 0 HH TYR A 594 35.206 -14.732 12.685 1.00 0.00 H new ATOM 958 N PHE A 595 37.698 -8.286 7.119 1.00 0.00 N ATOM 959 CA PHE A 595 37.867 -7.084 6.301 1.00 0.00 C ATOM 960 C PHE A 595 36.540 -6.299 6.238 1.00 0.00 C ATOM 961 O PHE A 595 35.473 -6.848 6.529 1.00 0.00 O ATOM 962 CB PHE A 595 38.305 -7.517 4.890 1.00 0.00 C ATOM 963 CG PHE A 595 39.707 -8.088 4.798 1.00 0.00 C ATOM 964 CD1 PHE A 595 39.933 -9.470 4.953 1.00 0.00 C ATOM 965 CD2 PHE A 595 40.790 -7.236 4.545 1.00 0.00 C ATOM 966 CE1 PHE A 595 41.236 -9.993 4.851 1.00 0.00 C ATOM 967 CE2 PHE A 595 42.089 -7.757 4.428 1.00 0.00 C ATOM 968 CZ PHE A 595 42.316 -9.138 4.578 1.00 0.00 C ATOM 0 H PHE A 595 36.743 -8.641 7.074 1.00 0.00 H new ATOM 0 HA PHE A 595 38.624 -6.433 6.738 1.00 0.00 H new ATOM 0 HB2 PHE A 595 37.601 -8.263 4.521 1.00 0.00 H new ATOM 0 HB3 PHE A 595 38.236 -6.656 4.225 1.00 0.00 H new ATOM 0 HD1 PHE A 595 39.103 -10.131 5.151 1.00 0.00 H new ATOM 0 HD2 PHE A 595 40.625 -6.174 4.439 1.00 0.00 H new ATOM 0 HE1 PHE A 595 41.405 -11.052 4.983 1.00 0.00 H new ATOM 0 HE2 PHE A 595 42.917 -7.095 4.222 1.00 0.00 H new ATOM 0 HZ PHE A 595 43.315 -9.538 4.484 1.00 0.00 H new ATOM 978 N HIS A 596 36.579 -5.029 5.835 1.00 0.00 N ATOM 979 CA HIS A 596 35.367 -4.263 5.506 1.00 0.00 C ATOM 980 C HIS A 596 34.920 -4.613 4.085 1.00 0.00 C ATOM 981 O HIS A 596 35.758 -4.753 3.192 1.00 0.00 O ATOM 982 CB HIS A 596 35.616 -2.755 5.583 1.00 0.00 C ATOM 983 CG HIS A 596 35.779 -2.134 6.944 1.00 0.00 C ATOM 984 ND1 HIS A 596 36.899 -1.381 7.270 1.00 0.00 N ATOM 985 CD2 HIS A 596 34.904 -2.113 7.989 1.00 0.00 C ATOM 986 CE1 HIS A 596 36.693 -0.920 8.512 1.00 0.00 C ATOM 987 NE2 HIS A 596 35.496 -1.344 8.967 1.00 0.00 N ATOM 0 H HIS A 596 37.445 -4.500 5.726 1.00 0.00 H new ATOM 0 HA HIS A 596 34.597 -4.525 6.232 1.00 0.00 H new ATOM 0 HB2 HIS A 596 36.514 -2.535 5.006 1.00 0.00 H new ATOM 0 HB3 HIS A 596 34.786 -2.254 5.085 1.00 0.00 H new ATOM 0 HD2 HIS A 596 33.942 -2.600 8.040 1.00 0.00 H new ATOM 0 HE1 HIS A 596 37.383 -0.301 9.066 1.00 0.00 H new ATOM 0 HE2 HIS A 596 35.096 -1.131 9.881 1.00 0.00 H new ATOM 995 N SER A 597 33.612 -4.735 3.855 1.00 0.00 N ATOM 996 CA SER A 597 33.051 -5.095 2.542 1.00 0.00 C ATOM 997 C SER A 597 33.377 -4.044 1.468 1.00 0.00 C ATOM 998 O SER A 597 33.870 -4.397 0.394 1.00 0.00 O ATOM 999 CB SER A 597 31.546 -5.342 2.671 1.00 0.00 C ATOM 1000 OG SER A 597 31.000 -5.827 1.465 1.00 0.00 O ATOM 0 H SER A 597 32.904 -4.587 4.575 1.00 0.00 H new ATOM 0 HA SER A 597 33.522 -6.019 2.207 1.00 0.00 H new ATOM 0 HB2 SER A 597 31.360 -6.059 3.471 1.00 0.00 H new ATOM 0 HB3 SER A 597 31.046 -4.415 2.952 1.00 0.00 H new ATOM 0 HG SER A 597 30.147 -5.378 1.288 1.00 0.00 H new ATOM 1006 N THR A 598 33.214 -2.749 1.780 1.00 0.00 N ATOM 1007 CA THR A 598 33.609 -1.633 0.896 1.00 0.00 C ATOM 1008 C THR A 598 35.120 -1.584 0.641 1.00 0.00 C ATOM 1009 O THR A 598 35.531 -1.447 -0.512 1.00 0.00 O ATOM 1010 CB THR A 598 33.143 -0.281 1.464 1.00 0.00 C ATOM 1011 OG1 THR A 598 33.516 -0.131 2.825 1.00 0.00 O ATOM 1012 CG2 THR A 598 31.627 -0.113 1.379 1.00 0.00 C ATOM 0 H THR A 598 32.801 -2.441 2.660 1.00 0.00 H new ATOM 0 HA THR A 598 33.115 -1.818 -0.058 1.00 0.00 H new ATOM 0 HB THR A 598 33.631 0.478 0.853 1.00 0.00 H new ATOM 0 HG1 THR A 598 33.351 0.792 3.109 1.00 0.00 H new ATOM 0 HG21 THR A 598 31.345 0.856 1.791 1.00 0.00 H new ATOM 0 HG22 THR A 598 31.313 -0.169 0.337 1.00 0.00 H new ATOM 0 HG23 THR A 598 31.141 -0.905 1.948 1.00 0.00 H new ATOM 1020 N CYS A 599 35.961 -1.754 1.670 1.00 0.00 N ATOM 1021 CA CYS A 599 37.421 -1.792 1.533 1.00 0.00 C ATOM 1022 C CYS A 599 37.867 -2.907 0.563 1.00 0.00 C ATOM 1023 O CYS A 599 38.596 -2.647 -0.394 1.00 0.00 O ATOM 1024 CB CYS A 599 38.054 -1.970 2.925 1.00 0.00 C ATOM 1025 SG CYS A 599 37.848 -0.472 3.945 1.00 0.00 S ATOM 0 H CYS A 599 35.642 -1.870 2.632 1.00 0.00 H new ATOM 0 HA CYS A 599 37.763 -0.850 1.105 1.00 0.00 H new ATOM 0 HB2 CYS A 599 37.596 -2.821 3.429 1.00 0.00 H new ATOM 0 HB3 CYS A 599 39.115 -2.196 2.818 1.00 0.00 H new ATOM 1030 N TYR A 600 37.416 -4.138 0.816 1.00 0.00 N ATOM 1031 CA TYR A 600 37.688 -5.305 -0.023 1.00 0.00 C ATOM 1032 C TYR A 600 37.210 -5.106 -1.475 1.00 0.00 C ATOM 1033 O TYR A 600 37.972 -5.344 -2.415 1.00 0.00 O ATOM 1034 CB TYR A 600 37.055 -6.541 0.633 1.00 0.00 C ATOM 1035 CG TYR A 600 37.117 -7.781 -0.238 1.00 0.00 C ATOM 1036 CD1 TYR A 600 38.311 -8.525 -0.311 1.00 0.00 C ATOM 1037 CD2 TYR A 600 36.001 -8.154 -1.006 1.00 0.00 C ATOM 1038 CE1 TYR A 600 38.382 -9.653 -1.151 1.00 0.00 C ATOM 1039 CE2 TYR A 600 36.059 -9.294 -1.831 1.00 0.00 C ATOM 1040 CZ TYR A 600 37.254 -10.047 -1.907 1.00 0.00 C ATOM 1041 OH TYR A 600 37.331 -11.147 -2.705 1.00 0.00 O ATOM 0 H TYR A 600 36.839 -4.355 1.628 1.00 0.00 H new ATOM 0 HA TYR A 600 38.766 -5.450 -0.093 1.00 0.00 H new ATOM 0 HB2 TYR A 600 37.562 -6.743 1.577 1.00 0.00 H new ATOM 0 HB3 TYR A 600 36.014 -6.324 0.871 1.00 0.00 H new ATOM 0 HD1 TYR A 600 39.169 -8.231 0.275 1.00 0.00 H new ATOM 0 HD2 TYR A 600 35.097 -7.565 -0.964 1.00 0.00 H new ATOM 0 HE1 TYR A 600 39.300 -10.218 -1.218 1.00 0.00 H new ATOM 0 HE2 TYR A 600 35.194 -9.592 -2.404 1.00 0.00 H new ATOM 0 HH TYR A 600 36.472 -11.284 -3.157 1.00 0.00 H new ATOM 1051 N HIS A 601 35.989 -4.594 -1.682 1.00 0.00 N ATOM 1052 CA HIS A 601 35.432 -4.307 -3.013 1.00 0.00 C ATOM 1053 C HIS A 601 36.228 -3.238 -3.780 1.00 0.00 C ATOM 1054 O HIS A 601 36.515 -3.417 -4.962 1.00 0.00 O ATOM 1055 CB HIS A 601 33.965 -3.896 -2.856 1.00 0.00 C ATOM 1056 CG HIS A 601 33.305 -3.486 -4.147 1.00 0.00 C ATOM 1057 ND1 HIS A 601 33.117 -2.170 -4.578 1.00 0.00 N ATOM 1058 CD2 HIS A 601 32.823 -4.338 -5.101 1.00 0.00 C ATOM 1059 CE1 HIS A 601 32.507 -2.256 -5.773 1.00 0.00 C ATOM 1060 NE2 HIS A 601 32.318 -3.543 -6.111 1.00 0.00 N ATOM 0 H HIS A 601 35.351 -4.364 -0.920 1.00 0.00 H new ATOM 0 HA HIS A 601 35.505 -5.214 -3.613 1.00 0.00 H new ATOM 0 HB2 HIS A 601 33.409 -4.728 -2.423 1.00 0.00 H new ATOM 0 HB3 HIS A 601 33.903 -3.069 -2.149 1.00 0.00 H new ATOM 0 HD2 HIS A 601 32.835 -5.418 -5.071 1.00 0.00 H new ATOM 0 HE1 HIS A 601 32.211 -1.410 -6.376 1.00 0.00 H new ATOM 0 HE2 HIS A 601 31.876 -3.876 -6.968 1.00 0.00 H new ATOM 1068 N GLU A 602 36.636 -2.150 -3.115 1.00 0.00 N ATOM 1069 CA GLU A 602 37.435 -1.069 -3.720 1.00 0.00 C ATOM 1070 C GLU A 602 38.906 -1.472 -3.977 1.00 0.00 C ATOM 1071 O GLU A 602 39.525 -0.994 -4.929 1.00 0.00 O ATOM 1072 CB GLU A 602 37.371 0.185 -2.834 1.00 0.00 C ATOM 1073 CG GLU A 602 35.987 0.855 -2.872 1.00 0.00 C ATOM 1074 CD GLU A 602 35.843 2.020 -1.866 1.00 0.00 C ATOM 1075 OE1 GLU A 602 34.715 2.254 -1.369 1.00 0.00 O ATOM 1076 OE2 GLU A 602 36.832 2.750 -1.606 1.00 0.00 O ATOM 0 H GLU A 602 36.420 -1.991 -2.131 1.00 0.00 H new ATOM 0 HA GLU A 602 36.998 -0.857 -4.696 1.00 0.00 H new ATOM 0 HB2 GLU A 602 37.613 -0.086 -1.806 1.00 0.00 H new ATOM 0 HB3 GLU A 602 38.127 0.898 -3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 602 35.799 1.228 -3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 602 35.223 0.107 -2.662 1.00 0.00 H new ATOM 1083 N THR A 603 39.466 -2.367 -3.154 1.00 0.00 N ATOM 1084 CA THR A 603 40.821 -2.928 -3.333 1.00 0.00 C ATOM 1085 C THR A 603 40.882 -3.932 -4.489 1.00 0.00 C ATOM 1086 O THR A 603 41.873 -3.976 -5.221 1.00 0.00 O ATOM 1087 CB THR A 603 41.303 -3.589 -2.027 1.00 0.00 C ATOM 1088 OG1 THR A 603 41.433 -2.603 -1.028 1.00 0.00 O ATOM 1089 CG2 THR A 603 42.668 -4.270 -2.128 1.00 0.00 C ATOM 0 H THR A 603 38.987 -2.731 -2.330 1.00 0.00 H new ATOM 0 HA THR A 603 41.484 -2.100 -3.585 1.00 0.00 H new ATOM 0 HB THR A 603 40.555 -4.349 -1.799 1.00 0.00 H new ATOM 0 HG1 THR A 603 40.556 -2.422 -0.631 1.00 0.00 H new ATOM 0 HG21 THR A 603 42.928 -4.708 -1.164 1.00 0.00 H new ATOM 0 HG22 THR A 603 42.628 -5.054 -2.884 1.00 0.00 H new ATOM 0 HG23 THR A 603 43.422 -3.534 -2.408 1.00 0.00 H new ATOM 1097 N SER A 604 39.818 -4.718 -4.697 1.00 0.00 N ATOM 1098 CA SER A 604 39.679 -5.638 -5.833 1.00 0.00 C ATOM 1099 C SER A 604 39.634 -4.893 -7.178 1.00 0.00 C ATOM 1100 O SER A 604 38.929 -3.889 -7.327 1.00 0.00 O ATOM 1101 CB SER A 604 38.424 -6.502 -5.651 1.00 0.00 C ATOM 1102 OG SER A 604 38.309 -7.457 -6.692 1.00 0.00 O ATOM 0 H SER A 604 39.015 -4.733 -4.069 1.00 0.00 H new ATOM 0 HA SER A 604 40.560 -6.279 -5.854 1.00 0.00 H new ATOM 0 HB2 SER A 604 38.465 -7.012 -4.688 1.00 0.00 H new ATOM 0 HB3 SER A 604 37.539 -5.866 -5.637 1.00 0.00 H new ATOM 0 HG SER A 604 37.503 -7.997 -6.553 1.00 0.00 H new ATOM 1108 N GLN A 605 40.397 -5.382 -8.164 1.00 0.00 N ATOM 1109 CA GLN A 605 40.569 -4.780 -9.495 1.00 0.00 C ATOM 1110 C GLN A 605 40.677 -5.856 -10.591 1.00 0.00 C ATOM 1111 O GLN A 605 40.975 -7.020 -10.310 1.00 0.00 O ATOM 1112 CB GLN A 605 41.812 -3.868 -9.510 1.00 0.00 C ATOM 1113 CG GLN A 605 41.666 -2.620 -8.622 1.00 0.00 C ATOM 1114 CD GLN A 605 42.890 -1.711 -8.678 1.00 0.00 C ATOM 1115 OE1 GLN A 605 43.322 -1.260 -9.735 1.00 0.00 O ATOM 1116 NE2 GLN A 605 43.495 -1.393 -7.550 1.00 0.00 N ATOM 0 H GLN A 605 40.933 -6.242 -8.053 1.00 0.00 H new ATOM 0 HA GLN A 605 39.685 -4.179 -9.708 1.00 0.00 H new ATOM 0 HB2 GLN A 605 42.678 -4.441 -9.179 1.00 0.00 H new ATOM 0 HB3 GLN A 605 42.011 -3.554 -10.535 1.00 0.00 H new ATOM 0 HG2 GLN A 605 40.786 -2.058 -8.935 1.00 0.00 H new ATOM 0 HG3 GLN A 605 41.496 -2.931 -7.591 1.00 0.00 H new ATOM 0 HE21 GLN A 605 43.148 -1.760 -6.664 1.00 0.00 H new ATOM 0 HE22 GLN A 605 44.310 -0.780 -7.564 1.00 0.00 H new ATOM 1125 N ASN A 606 40.443 -5.456 -11.849 1.00 0.00 N ATOM 1126 CA ASN A 606 40.495 -6.315 -13.045 1.00 0.00 C ATOM 1127 C ASN A 606 39.568 -7.555 -12.970 1.00 0.00 C ATOM 1128 O ASN A 606 39.886 -8.627 -13.494 1.00 0.00 O ATOM 1129 CB ASN A 606 41.971 -6.616 -13.385 1.00 0.00 C ATOM 1130 CG ASN A 606 42.162 -7.161 -14.794 1.00 0.00 C ATOM 1131 OD1 ASN A 606 41.557 -6.711 -15.757 1.00 0.00 O ATOM 1132 ND2 ASN A 606 43.029 -8.133 -14.969 1.00 0.00 N ATOM 0 H ASN A 606 40.203 -4.490 -12.072 1.00 0.00 H new ATOM 0 HA ASN A 606 40.070 -5.772 -13.889 1.00 0.00 H new ATOM 0 HB2 ASN A 606 42.557 -5.703 -13.273 1.00 0.00 H new ATOM 0 HB3 ASN A 606 42.363 -7.337 -12.667 1.00 0.00 H new ATOM 0 HD21 ASN A 606 43.194 -8.507 -15.903 1.00 0.00 H new ATOM 0 HD22 ASN A 606 43.537 -8.513 -14.170 1.00 0.00 H new ATOM 1139 N SER A 607 38.414 -7.414 -12.305 1.00 0.00 N ATOM 1140 CA SER A 607 37.451 -8.502 -12.054 1.00 0.00 C ATOM 1141 C SER A 607 36.766 -9.030 -13.333 1.00 0.00 C ATOM 1142 O SER A 607 36.404 -10.209 -13.403 1.00 0.00 O ATOM 1143 CB SER A 607 36.413 -8.011 -11.036 1.00 0.00 C ATOM 1144 OG SER A 607 35.528 -9.044 -10.632 1.00 0.00 O ATOM 0 H SER A 607 38.114 -6.520 -11.916 1.00 0.00 H new ATOM 0 HA SER A 607 38.005 -9.352 -11.656 1.00 0.00 H new ATOM 0 HB2 SER A 607 36.926 -7.611 -10.161 1.00 0.00 H new ATOM 0 HB3 SER A 607 35.839 -7.193 -11.471 1.00 0.00 H new ATOM 0 HG SER A 607 34.885 -8.689 -9.983 1.00 0.00 H new ATOM 1150 N SER A 608 36.644 -8.174 -14.365 1.00 0.00 N ATOM 1151 CA SER A 608 36.033 -8.448 -15.688 1.00 0.00 C ATOM 1152 C SER A 608 34.587 -8.981 -15.599 1.00 0.00 C ATOM 1153 O SER A 608 34.294 -10.108 -16.064 1.00 0.00 O ATOM 1154 CB SER A 608 36.963 -9.322 -16.543 1.00 0.00 C ATOM 1155 OG SER A 608 38.221 -8.680 -16.676 1.00 0.00 O ATOM 1156 OXT SER A 608 33.725 -8.231 -15.082 1.00 0.00 O ATOM 0 H SER A 608 36.988 -7.216 -14.298 1.00 0.00 H new ATOM 0 HA SER A 608 35.927 -7.493 -16.203 1.00 0.00 H new ATOM 0 HB2 SER A 608 37.089 -10.300 -16.079 1.00 0.00 H new ATOM 0 HB3 SER A 608 36.522 -9.489 -17.526 1.00 0.00 H new ATOM 0 HG SER A 608 38.817 -9.237 -17.220 1.00 0.00 H new TER 1162 SER A 608 HETATM 1163 ZN ZN A 701 38.691 -1.008 6.153 1.00 0.00 ZN