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= 0.739 K(o=1.4,f=-6.2!) USER MOD Set 1.2: A 598 THR OG1 : rot 170:sc= 0.665 USER MOD Single : A 535 SER OG : rot 180:sc= 0 USER MOD Single : A 538 SER OG : rot 180:sc=-0.00689 USER MOD Single : A 541 SER OG : rot 180:sc= 0 USER MOD Single : A 542 ASN : amide:sc= 0.79 K(o=0.79,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 115:sc= 0.24 USER MOD Single : A 558 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 560 MET CE :methyl 146:sc=-0.00694 (180deg=-0.424) USER MOD Single : A 563 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 LYS NZ :NH3+ -178:sc= 0.959 (180deg=0.958) USER MOD Single : A 570 THR OG1 : rot 180:sc= 0 USER MOD Single : A 572 THR OG1 : rot 180:sc= 0 USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 585 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 THR OG1 : rot 62:sc= 0.23 USER MOD Single : A 591 ASN : amide:sc= 0 X(o=0,f=-0.36) 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 -140: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=-0.045) USER MOD Single : A 603 THR OG1 : rot 77:sc= 0.547 USER MOD Single : A 604 SER OG : rot 77:sc= 0.909 USER MOD Single : A 605 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 606 ASN : amide:sc= 0.393 K(o=0.39,f=-3.2!) USER MOD Single : A 607 SER OG : rot 180:sc= 0 USER MOD Single : A 608 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 533 5.484 9.699 -16.553 1.00 0.00 N ATOM 2 CA GLY A 533 6.844 10.274 -16.616 1.00 0.00 C ATOM 3 C GLY A 533 7.763 9.629 -15.589 1.00 0.00 C ATOM 4 O GLY A 533 7.338 9.341 -14.468 1.00 0.00 O ATOM 0 HA2 GLY A 533 7.255 10.133 -17.615 1.00 0.00 H new ATOM 0 HA3 GLY A 533 6.796 11.349 -16.440 1.00 0.00 H new ATOM 10 N GLY A 534 9.025 9.389 -15.961 1.00 0.00 N ATOM 11 CA GLY A 534 10.064 8.825 -15.084 1.00 0.00 C ATOM 12 C GLY A 534 10.707 9.839 -14.120 1.00 0.00 C ATOM 13 O GLY A 534 10.230 10.966 -13.952 1.00 0.00 O ATOM 0 H GLY A 534 9.363 9.585 -16.903 1.00 0.00 H new ATOM 0 HA2 GLY A 534 9.628 8.014 -14.500 1.00 0.00 H new ATOM 0 HA3 GLY A 534 10.846 8.386 -15.704 1.00 0.00 H new ATOM 17 N SER A 535 11.819 9.433 -13.499 1.00 0.00 N ATOM 18 CA SER A 535 12.633 10.238 -12.572 1.00 0.00 C ATOM 19 C SER A 535 14.116 9.850 -12.665 1.00 0.00 C ATOM 20 O SER A 535 14.445 8.678 -12.869 1.00 0.00 O ATOM 21 CB SER A 535 12.108 10.067 -11.140 1.00 0.00 C ATOM 22 OG SER A 535 12.820 10.891 -10.231 1.00 0.00 O ATOM 0 H SER A 535 12.196 8.494 -13.632 1.00 0.00 H new ATOM 0 HA SER A 535 12.551 11.288 -12.852 1.00 0.00 H new ATOM 0 HB2 SER A 535 11.047 10.316 -11.107 1.00 0.00 H new ATOM 0 HB3 SER A 535 12.200 9.024 -10.838 1.00 0.00 H new ATOM 0 HG SER A 535 12.464 10.764 -9.327 1.00 0.00 H new ATOM 28 N GLU A 536 15.023 10.823 -12.558 1.00 0.00 N ATOM 29 CA GLU A 536 16.471 10.630 -12.712 1.00 0.00 C ATOM 30 C GLU A 536 17.120 9.920 -11.503 1.00 0.00 C ATOM 31 O GLU A 536 16.889 10.287 -10.346 1.00 0.00 O ATOM 32 CB GLU A 536 17.183 11.974 -12.966 1.00 0.00 C ATOM 33 CG GLU A 536 16.761 12.703 -14.259 1.00 0.00 C ATOM 34 CD GLU A 536 15.435 13.502 -14.199 1.00 0.00 C ATOM 35 OE1 GLU A 536 14.852 13.710 -13.105 1.00 0.00 O ATOM 36 OE2 GLU A 536 14.966 13.957 -15.273 1.00 0.00 O ATOM 0 H GLU A 536 14.768 11.790 -12.357 1.00 0.00 H new ATOM 0 HA GLU A 536 16.596 9.979 -13.577 1.00 0.00 H new ATOM 0 HB2 GLU A 536 16.996 12.633 -12.118 1.00 0.00 H new ATOM 0 HB3 GLU A 536 18.258 11.797 -13.001 1.00 0.00 H new ATOM 0 HG2 GLU A 536 17.560 13.388 -14.541 1.00 0.00 H new ATOM 0 HG3 GLU A 536 16.679 11.964 -15.056 1.00 0.00 H new ATOM 43 N PHE A 537 17.988 8.941 -11.780 1.00 0.00 N ATOM 44 CA PHE A 537 18.857 8.248 -10.815 1.00 0.00 C ATOM 45 C PHE A 537 20.083 7.632 -11.530 1.00 0.00 C ATOM 46 O PHE A 537 20.195 7.694 -12.759 1.00 0.00 O ATOM 47 CB PHE A 537 18.053 7.188 -10.032 1.00 0.00 C ATOM 48 CG PHE A 537 17.516 6.027 -10.851 1.00 0.00 C ATOM 49 CD1 PHE A 537 16.250 6.120 -11.461 1.00 0.00 C ATOM 50 CD2 PHE A 537 18.268 4.842 -10.990 1.00 0.00 C ATOM 51 CE1 PHE A 537 15.746 5.048 -12.218 1.00 0.00 C ATOM 52 CE2 PHE A 537 17.762 3.768 -11.744 1.00 0.00 C ATOM 53 CZ PHE A 537 16.502 3.871 -12.361 1.00 0.00 C ATOM 0 H PHE A 537 18.112 8.591 -12.730 1.00 0.00 H new ATOM 0 HA PHE A 537 19.234 8.973 -10.094 1.00 0.00 H new ATOM 0 HB2 PHE A 537 18.689 6.788 -9.242 1.00 0.00 H new ATOM 0 HB3 PHE A 537 17.213 7.683 -9.545 1.00 0.00 H new ATOM 0 HD1 PHE A 537 15.663 7.020 -11.347 1.00 0.00 H new ATOM 0 HD2 PHE A 537 19.235 4.759 -10.516 1.00 0.00 H new ATOM 0 HE1 PHE A 537 14.778 5.128 -12.690 1.00 0.00 H new ATOM 0 HE2 PHE A 537 18.342 2.863 -11.849 1.00 0.00 H new ATOM 0 HZ PHE A 537 16.116 3.048 -12.943 1.00 0.00 H new ATOM 63 N SER A 538 21.011 7.041 -10.769 1.00 0.00 N ATOM 64 CA SER A 538 22.252 6.428 -11.277 1.00 0.00 C ATOM 65 C SER A 538 22.601 5.118 -10.548 1.00 0.00 C ATOM 66 O SER A 538 22.020 4.786 -9.512 1.00 0.00 O ATOM 67 CB SER A 538 23.386 7.460 -11.192 1.00 0.00 C ATOM 68 OG SER A 538 24.559 6.991 -11.836 1.00 0.00 O ATOM 0 H SER A 538 20.921 6.972 -9.755 1.00 0.00 H new ATOM 0 HA SER A 538 22.105 6.145 -12.319 1.00 0.00 H new ATOM 0 HB2 SER A 538 23.065 8.395 -11.652 1.00 0.00 H new ATOM 0 HB3 SER A 538 23.605 7.678 -10.147 1.00 0.00 H new ATOM 0 HG SER A 538 25.263 7.669 -11.768 1.00 0.00 H new ATOM 74 N ASP A 539 23.569 4.364 -11.078 1.00 0.00 N ATOM 75 CA ASP A 539 23.984 3.024 -10.618 1.00 0.00 C ATOM 76 C ASP A 539 24.790 3.010 -9.294 1.00 0.00 C ATOM 77 O ASP A 539 25.349 1.980 -8.902 1.00 0.00 O ATOM 78 CB ASP A 539 24.735 2.296 -11.753 1.00 0.00 C ATOM 79 CG ASP A 539 23.926 2.109 -13.055 1.00 0.00 C ATOM 80 OD1 ASP A 539 22.675 2.009 -13.017 1.00 0.00 O ATOM 81 OD2 ASP A 539 24.552 2.012 -14.139 1.00 0.00 O ATOM 0 H ASP A 539 24.115 4.682 -11.879 1.00 0.00 H new ATOM 0 HA ASP A 539 23.068 2.485 -10.375 1.00 0.00 H new ATOM 0 HB2 ASP A 539 25.643 2.854 -11.984 1.00 0.00 H new ATOM 0 HB3 ASP A 539 25.046 1.316 -11.392 1.00 0.00 H new ATOM 86 N ARG A 540 24.828 4.134 -8.561 1.00 0.00 N ATOM 87 CA ARG A 540 25.437 4.264 -7.219 1.00 0.00 C ATOM 88 C ARG A 540 24.760 3.396 -6.145 1.00 0.00 C ATOM 89 O ARG A 540 25.321 3.211 -5.066 1.00 0.00 O ATOM 90 CB ARG A 540 25.426 5.740 -6.778 1.00 0.00 C ATOM 91 CG ARG A 540 26.254 6.653 -7.696 1.00 0.00 C ATOM 92 CD ARG A 540 26.267 8.078 -7.133 1.00 0.00 C ATOM 93 NE ARG A 540 27.065 8.988 -7.976 1.00 0.00 N ATOM 94 CZ ARG A 540 27.358 10.249 -7.708 1.00 0.00 C ATOM 95 NH1 ARG A 540 26.947 10.845 -6.622 1.00 0.00 N ATOM 96 NH2 ARG A 540 28.073 10.948 -8.543 1.00 0.00 N ATOM 0 H ARG A 540 24.423 5.009 -8.894 1.00 0.00 H new ATOM 0 HA ARG A 540 26.460 3.900 -7.311 1.00 0.00 H new ATOM 0 HB2 ARG A 540 24.397 6.097 -6.754 1.00 0.00 H new ATOM 0 HB3 ARG A 540 25.812 5.811 -5.761 1.00 0.00 H new ATOM 0 HG2 ARG A 540 27.273 6.275 -7.778 1.00 0.00 H new ATOM 0 HG3 ARG A 540 25.832 6.653 -8.701 1.00 0.00 H new ATOM 0 HD2 ARG A 540 25.245 8.451 -7.061 1.00 0.00 H new ATOM 0 HD3 ARG A 540 26.674 8.067 -6.122 1.00 0.00 H new ATOM 0 HE ARG A 540 27.426 8.607 -8.851 1.00 0.00 H new ATOM 0 HH11 ARG A 540 26.379 10.336 -5.945 1.00 0.00 H new ATOM 0 HH12 ARG A 540 27.194 11.820 -6.451 1.00 0.00 H new ATOM 0 HH21 ARG A 540 28.409 10.523 -9.407 1.00 0.00 H new ATOM 0 HH22 ARG A 540 28.297 11.921 -8.333 1.00 0.00 H new ATOM 110 N SER A 541 23.579 2.842 -6.430 1.00 0.00 N ATOM 111 CA SER A 541 22.765 2.036 -5.507 1.00 0.00 C ATOM 112 C SER A 541 23.485 0.809 -4.926 1.00 0.00 C ATOM 113 O SER A 541 23.162 0.402 -3.811 1.00 0.00 O ATOM 114 CB SER A 541 21.481 1.588 -6.216 1.00 0.00 C ATOM 115 OG SER A 541 21.786 0.797 -7.357 1.00 0.00 O ATOM 0 H SER A 541 23.143 2.945 -7.346 1.00 0.00 H new ATOM 0 HA SER A 541 22.545 2.683 -4.658 1.00 0.00 H new ATOM 0 HB2 SER A 541 20.860 1.016 -5.527 1.00 0.00 H new ATOM 0 HB3 SER A 541 20.902 2.461 -6.517 1.00 0.00 H new ATOM 0 HG SER A 541 20.954 0.520 -7.795 1.00 0.00 H new ATOM 121 N ASN A 542 24.498 0.249 -5.602 1.00 0.00 N ATOM 122 CA ASN A 542 25.289 -0.861 -5.054 1.00 0.00 C ATOM 123 C ASN A 542 26.066 -0.489 -3.772 1.00 0.00 C ATOM 124 O ASN A 542 26.357 -1.367 -2.962 1.00 0.00 O ATOM 125 CB ASN A 542 26.240 -1.422 -6.128 1.00 0.00 C ATOM 126 CG ASN A 542 25.550 -1.961 -7.372 1.00 0.00 C ATOM 127 OD1 ASN A 542 25.889 -1.602 -8.492 1.00 0.00 O ATOM 128 ND2 ASN A 542 24.580 -2.839 -7.246 1.00 0.00 N ATOM 0 H ASN A 542 24.789 0.548 -6.533 1.00 0.00 H new ATOM 0 HA ASN A 542 24.578 -1.633 -4.760 1.00 0.00 H new ATOM 0 HB2 ASN A 542 26.933 -0.635 -6.426 1.00 0.00 H new ATOM 0 HB3 ASN A 542 26.835 -2.220 -5.685 1.00 0.00 H new ATOM 0 HD21 ASN A 542 24.119 -3.213 -8.076 1.00 0.00 H new ATOM 0 HD22 ASN A 542 24.288 -3.147 -6.318 1.00 0.00 H new ATOM 135 N GLU A 543 26.372 0.792 -3.531 1.00 0.00 N ATOM 136 CA GLU A 543 27.076 1.233 -2.313 1.00 0.00 C ATOM 137 C GLU A 543 26.264 0.964 -1.036 1.00 0.00 C ATOM 138 O GLU A 543 26.818 0.505 -0.036 1.00 0.00 O ATOM 139 CB GLU A 543 27.436 2.726 -2.408 1.00 0.00 C ATOM 140 CG GLU A 543 28.447 3.026 -3.530 1.00 0.00 C ATOM 141 CD GLU A 543 28.942 4.492 -3.548 1.00 0.00 C ATOM 142 OE1 GLU A 543 30.084 4.732 -4.011 1.00 0.00 O ATOM 143 OE2 GLU A 543 28.213 5.420 -3.117 1.00 0.00 O ATOM 0 H GLU A 543 26.141 1.552 -4.170 1.00 0.00 H new ATOM 0 HA GLU A 543 27.991 0.645 -2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 543 26.528 3.304 -2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 543 27.849 3.057 -1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 543 29.306 2.364 -3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 543 27.988 2.795 -4.491 1.00 0.00 H new ATOM 150 N LEU A 544 24.942 1.177 -1.066 1.00 0.00 N ATOM 151 CA LEU A 544 24.071 0.886 0.083 1.00 0.00 C ATOM 152 C LEU A 544 23.933 -0.626 0.335 1.00 0.00 C ATOM 153 O LEU A 544 23.759 -1.055 1.470 1.00 0.00 O ATOM 154 CB LEU A 544 22.720 1.623 -0.067 1.00 0.00 C ATOM 155 CG LEU A 544 21.640 0.918 -0.916 1.00 0.00 C ATOM 156 CD1 LEU A 544 20.655 0.126 -0.052 1.00 0.00 C ATOM 157 CD2 LEU A 544 20.834 1.941 -1.720 1.00 0.00 C ATOM 0 H LEU A 544 24.449 1.551 -1.877 1.00 0.00 H new ATOM 0 HA LEU A 544 24.540 1.275 0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 544 22.312 1.794 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 544 22.913 2.602 -0.505 1.00 0.00 H new ATOM 0 HG LEU A 544 22.170 0.234 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 544 19.914 -0.353 -0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 544 21.195 -0.636 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 544 20.154 0.802 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 544 20.078 1.425 -2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 544 20.347 2.638 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 544 21.502 2.490 -2.384 1.00 0.00 H new ATOM 169 N GLU A 545 24.066 -1.449 -0.711 1.00 0.00 N ATOM 170 CA GLU A 545 24.073 -2.912 -0.597 1.00 0.00 C ATOM 171 C GLU A 545 25.362 -3.437 0.053 1.00 0.00 C ATOM 172 O GLU A 545 25.296 -4.302 0.926 1.00 0.00 O ATOM 173 CB GLU A 545 23.873 -3.576 -1.967 1.00 0.00 C ATOM 174 CG GLU A 545 22.568 -3.169 -2.668 1.00 0.00 C ATOM 175 CD GLU A 545 22.385 -3.908 -4.010 1.00 0.00 C ATOM 176 OE1 GLU A 545 23.309 -3.891 -4.859 1.00 0.00 O ATOM 177 OE2 GLU A 545 21.301 -4.497 -4.238 1.00 0.00 O ATOM 0 H GLU A 545 24.173 -1.116 -1.669 1.00 0.00 H new ATOM 0 HA GLU A 545 23.238 -3.176 0.052 1.00 0.00 H new ATOM 0 HB2 GLU A 545 24.715 -3.321 -2.610 1.00 0.00 H new ATOM 0 HB3 GLU A 545 23.885 -4.659 -1.841 1.00 0.00 H new ATOM 0 HG2 GLU A 545 21.722 -3.385 -2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 545 22.569 -2.093 -2.843 1.00 0.00 H new ATOM 184 N ILE A 546 26.519 -2.865 -0.298 1.00 0.00 N ATOM 185 CA ILE A 546 27.799 -3.154 0.365 1.00 0.00 C ATOM 186 C ILE A 546 27.763 -2.730 1.842 1.00 0.00 C ATOM 187 O ILE A 546 28.268 -3.447 2.709 1.00 0.00 O ATOM 188 CB ILE A 546 28.950 -2.488 -0.418 1.00 0.00 C ATOM 189 CG1 ILE A 546 29.110 -3.052 -1.853 1.00 0.00 C ATOM 190 CG2 ILE A 546 30.285 -2.582 0.329 1.00 0.00 C ATOM 191 CD1 ILE A 546 29.593 -4.506 -1.946 1.00 0.00 C ATOM 0 H ILE A 546 26.596 -2.185 -1.054 1.00 0.00 H new ATOM 0 HA ILE A 546 27.975 -4.230 0.362 1.00 0.00 H new ATOM 0 HB ILE A 546 28.670 -1.438 -0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 546 28.150 -2.974 -2.364 1.00 0.00 H new ATOM 0 HG13 ILE A 546 29.812 -2.420 -2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 546 31.066 -2.100 -0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 546 30.198 -2.083 1.294 1.00 0.00 H new ATOM 0 HG23 ILE A 546 30.542 -3.630 0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 546 29.670 -4.798 -2.993 1.00 0.00 H new ATOM 0 HD12 ILE A 546 30.570 -4.596 -1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 546 28.882 -5.159 -1.439 1.00 0.00 H new ATOM 203 N ARG A 547 27.102 -1.607 2.160 1.00 0.00 N ATOM 204 CA ARG A 547 26.890 -1.146 3.551 1.00 0.00 C ATOM 205 C ARG A 547 25.907 -2.039 4.321 1.00 0.00 C ATOM 206 O ARG A 547 26.017 -2.170 5.541 1.00 0.00 O ATOM 207 CB ARG A 547 26.406 0.319 3.543 1.00 0.00 C ATOM 208 CG ARG A 547 27.514 1.307 3.127 1.00 0.00 C ATOM 209 CD ARG A 547 26.921 2.704 2.910 1.00 0.00 C ATOM 210 NE ARG A 547 27.948 3.671 2.480 1.00 0.00 N ATOM 211 CZ ARG A 547 27.750 4.934 2.151 1.00 0.00 C ATOM 212 NH1 ARG A 547 26.568 5.488 2.198 1.00 0.00 N ATOM 213 NH2 ARG A 547 28.748 5.675 1.758 1.00 0.00 N ATOM 0 H ARG A 547 26.695 -0.986 1.460 1.00 0.00 H new ATOM 0 HA ARG A 547 27.845 -1.212 4.073 1.00 0.00 H new ATOM 0 HB2 ARG A 547 25.563 0.415 2.859 1.00 0.00 H new ATOM 0 HB3 ARG A 547 26.043 0.583 4.536 1.00 0.00 H new ATOM 0 HG2 ARG A 547 28.285 1.346 3.897 1.00 0.00 H new ATOM 0 HG3 ARG A 547 27.995 0.962 2.212 1.00 0.00 H new ATOM 0 HD2 ARG A 547 26.133 2.652 2.159 1.00 0.00 H new ATOM 0 HD3 ARG A 547 26.459 3.051 3.834 1.00 0.00 H new ATOM 0 HE ARG A 547 28.908 3.330 2.432 1.00 0.00 H new ATOM 0 HH11 ARG A 547 25.760 4.942 2.496 1.00 0.00 H new ATOM 0 HH12 ARG A 547 26.453 6.467 1.936 1.00 0.00 H new ATOM 0 HH21 ARG A 547 29.687 5.279 1.704 1.00 0.00 H new ATOM 0 HH22 ARG A 547 28.590 6.650 1.505 1.00 0.00 H new ATOM 227 N GLY A 548 24.969 -2.674 3.614 1.00 0.00 N ATOM 228 CA GLY A 548 23.989 -3.621 4.158 1.00 0.00 C ATOM 229 C GLY A 548 24.542 -5.022 4.472 1.00 0.00 C ATOM 230 O GLY A 548 23.831 -5.819 5.094 1.00 0.00 O ATOM 0 H GLY A 548 24.866 -2.538 2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 548 23.568 -3.200 5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 548 23.170 -3.722 3.446 1.00 0.00 H new ATOM 234 N LYS A 549 25.781 -5.347 4.074 1.00 0.00 N ATOM 235 CA LYS A 549 26.460 -6.596 4.464 1.00 0.00 C ATOM 236 C LYS A 549 26.769 -6.612 5.968 1.00 0.00 C ATOM 237 O LYS A 549 27.202 -5.602 6.527 1.00 0.00 O ATOM 238 CB LYS A 549 27.771 -6.794 3.670 1.00 0.00 C ATOM 239 CG LYS A 549 27.649 -6.855 2.139 1.00 0.00 C ATOM 240 CD LYS A 549 26.725 -7.969 1.615 1.00 0.00 C ATOM 241 CE LYS A 549 25.486 -7.376 0.935 1.00 0.00 C ATOM 242 NZ LYS A 549 24.506 -8.426 0.542 1.00 0.00 N ATOM 0 H LYS A 549 26.345 -4.749 3.470 1.00 0.00 H new ATOM 0 HA LYS A 549 25.779 -7.415 4.232 1.00 0.00 H new ATOM 0 HB2 LYS A 549 28.449 -5.980 3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 549 28.239 -7.717 4.011 1.00 0.00 H new ATOM 0 HG2 LYS A 549 27.280 -5.895 1.778 1.00 0.00 H new ATOM 0 HG3 LYS A 549 28.643 -6.995 1.713 1.00 0.00 H new ATOM 0 HD2 LYS A 549 27.269 -8.595 0.908 1.00 0.00 H new ATOM 0 HD3 LYS A 549 26.419 -8.612 2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 549 25.006 -6.668 1.611 1.00 0.00 H new ATOM 0 HE3 LYS A 549 25.791 -6.816 0.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 549 23.684 -7.981 0.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 549 24.954 -9.088 -0.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 549 24.194 -8.944 1.388 1.00 0.00 H new ATOM 256 N TYR A 550 26.619 -7.774 6.599 1.00 0.00 N ATOM 257 CA TYR A 550 27.047 -8.028 7.980 1.00 0.00 C ATOM 258 C TYR A 550 27.350 -9.509 8.231 1.00 0.00 C ATOM 259 O TYR A 550 26.945 -10.393 7.462 1.00 0.00 O ATOM 260 CB TYR A 550 26.013 -7.517 9.003 1.00 0.00 C ATOM 261 CG TYR A 550 24.641 -8.168 8.927 1.00 0.00 C ATOM 262 CD1 TYR A 550 23.620 -7.573 8.160 1.00 0.00 C ATOM 263 CD2 TYR A 550 24.386 -9.361 9.629 1.00 0.00 C ATOM 264 CE1 TYR A 550 22.343 -8.168 8.101 1.00 0.00 C ATOM 265 CE2 TYR A 550 23.109 -9.959 9.570 1.00 0.00 C ATOM 266 CZ TYR A 550 22.079 -9.362 8.809 1.00 0.00 C ATOM 267 OH TYR A 550 20.838 -9.926 8.761 1.00 0.00 O ATOM 0 H TYR A 550 26.187 -8.586 6.158 1.00 0.00 H new ATOM 0 HA TYR A 550 27.972 -7.469 8.117 1.00 0.00 H new ATOM 0 HB2 TYR A 550 26.413 -7.669 10.005 1.00 0.00 H new ATOM 0 HB3 TYR A 550 25.894 -6.442 8.867 1.00 0.00 H new ATOM 0 HD1 TYR A 550 23.816 -6.660 7.617 1.00 0.00 H new ATOM 0 HD2 TYR A 550 25.169 -9.820 10.214 1.00 0.00 H new ATOM 0 HE1 TYR A 550 21.563 -7.709 7.512 1.00 0.00 H new ATOM 0 HE2 TYR A 550 22.918 -10.876 10.108 1.00 0.00 H new ATOM 0 HH TYR A 550 20.829 -10.743 9.303 1.00 0.00 H new ATOM 277 N VAL A 551 28.035 -9.771 9.344 1.00 0.00 N ATOM 278 CA VAL A 551 28.267 -11.102 9.929 1.00 0.00 C ATOM 279 C VAL A 551 27.895 -11.065 11.412 1.00 0.00 C ATOM 280 O VAL A 551 28.184 -10.090 12.100 1.00 0.00 O ATOM 281 CB VAL A 551 29.717 -11.587 9.703 1.00 0.00 C ATOM 282 CG1 VAL A 551 29.923 -12.007 8.245 1.00 0.00 C ATOM 283 CG2 VAL A 551 30.806 -10.580 10.070 1.00 0.00 C ATOM 0 H VAL A 551 28.467 -9.028 9.893 1.00 0.00 H new ATOM 0 HA VAL A 551 27.631 -11.829 9.425 1.00 0.00 H new ATOM 0 HB VAL A 551 29.827 -12.430 10.386 1.00 0.00 H new ATOM 0 HG11 VAL A 551 30.950 -12.345 8.105 1.00 0.00 H new ATOM 0 HG12 VAL A 551 29.237 -12.818 8.000 1.00 0.00 H new ATOM 0 HG13 VAL A 551 29.729 -11.157 7.591 1.00 0.00 H new ATOM 0 HG21 VAL A 551 31.786 -11.016 9.875 1.00 0.00 H new ATOM 0 HG22 VAL A 551 30.684 -9.678 9.470 1.00 0.00 H new ATOM 0 HG23 VAL A 551 30.726 -10.326 11.127 1.00 0.00 H new ATOM 293 N VAL A 552 27.207 -12.091 11.921 1.00 0.00 N ATOM 294 CA VAL A 552 26.783 -12.152 13.335 1.00 0.00 C ATOM 295 C VAL A 552 28.010 -12.267 14.247 1.00 0.00 C ATOM 296 O VAL A 552 28.931 -13.043 13.979 1.00 0.00 O ATOM 297 CB VAL A 552 25.735 -13.264 13.568 1.00 0.00 C ATOM 298 CG1 VAL A 552 26.302 -14.683 13.403 1.00 0.00 C ATOM 299 CG2 VAL A 552 25.072 -13.171 14.943 1.00 0.00 C ATOM 0 H VAL A 552 26.926 -12.903 11.372 1.00 0.00 H new ATOM 0 HA VAL A 552 26.278 -11.222 13.596 1.00 0.00 H new ATOM 0 HB VAL A 552 24.991 -13.091 12.791 1.00 0.00 H new ATOM 0 HG11 VAL A 552 25.512 -15.413 13.581 1.00 0.00 H new ATOM 0 HG12 VAL A 552 26.688 -14.805 12.391 1.00 0.00 H new ATOM 0 HG13 VAL A 552 27.108 -14.838 14.120 1.00 0.00 H new ATOM 0 HG21 VAL A 552 24.345 -13.976 15.052 1.00 0.00 H new ATOM 0 HG22 VAL A 552 25.831 -13.260 15.720 1.00 0.00 H new ATOM 0 HG23 VAL A 552 24.566 -12.210 15.039 1.00 0.00 H new ATOM 309 N VAL A 553 28.036 -11.483 15.332 1.00 0.00 N ATOM 310 CA VAL A 553 29.080 -11.554 16.364 1.00 0.00 C ATOM 311 C VAL A 553 28.673 -12.596 17.422 1.00 0.00 C ATOM 312 O VAL A 553 27.679 -12.386 18.123 1.00 0.00 O ATOM 313 CB VAL A 553 29.370 -10.191 17.033 1.00 0.00 C ATOM 314 CG1 VAL A 553 30.722 -10.319 17.733 1.00 0.00 C ATOM 315 CG2 VAL A 553 29.462 -9.008 16.083 1.00 0.00 C ATOM 0 H VAL A 553 27.327 -10.775 15.521 1.00 0.00 H new ATOM 0 HA VAL A 553 30.006 -11.852 15.872 1.00 0.00 H new ATOM 0 HB VAL A 553 28.531 -9.984 17.697 1.00 0.00 H new ATOM 0 HG11 VAL A 553 30.969 -9.377 18.222 1.00 0.00 H new ATOM 0 HG12 VAL A 553 30.672 -11.112 18.479 1.00 0.00 H new ATOM 0 HG13 VAL A 553 31.491 -10.560 16.999 1.00 0.00 H new ATOM 0 HG21 VAL A 553 29.668 -8.101 16.651 1.00 0.00 H new ATOM 0 HG22 VAL A 553 30.266 -9.178 15.367 1.00 0.00 H new ATOM 0 HG23 VAL A 553 28.518 -8.896 15.549 1.00 0.00 H new ATOM 325 N PRO A 554 29.404 -13.718 17.571 1.00 0.00 N ATOM 326 CA PRO A 554 29.062 -14.762 18.538 1.00 0.00 C ATOM 327 C PRO A 554 29.380 -14.364 19.985 1.00 0.00 C ATOM 328 O PRO A 554 30.204 -13.485 20.243 1.00 0.00 O ATOM 329 CB PRO A 554 29.886 -15.980 18.110 1.00 0.00 C ATOM 330 CG PRO A 554 31.136 -15.357 17.491 1.00 0.00 C ATOM 331 CD PRO A 554 30.590 -14.100 16.818 1.00 0.00 C ATOM 0 HA PRO A 554 27.989 -14.956 18.535 1.00 0.00 H new ATOM 0 HB2 PRO A 554 30.132 -16.618 18.959 1.00 0.00 H new ATOM 0 HB3 PRO A 554 29.347 -16.599 17.392 1.00 0.00 H new ATOM 0 HG2 PRO A 554 31.885 -15.119 18.246 1.00 0.00 H new ATOM 0 HG3 PRO A 554 31.609 -16.027 16.773 1.00 0.00 H new ATOM 0 HD2 PRO A 554 31.331 -13.301 16.827 1.00 0.00 H new ATOM 0 HD3 PRO A 554 30.343 -14.294 15.774 1.00 0.00 H new ATOM 339 N GLU A 555 28.799 -15.076 20.953 1.00 0.00 N ATOM 340 CA GLU A 555 29.130 -14.929 22.385 1.00 0.00 C ATOM 341 C GLU A 555 30.570 -15.371 22.720 1.00 0.00 C ATOM 342 O GLU A 555 31.121 -14.964 23.743 1.00 0.00 O ATOM 343 CB GLU A 555 28.099 -15.698 23.230 1.00 0.00 C ATOM 344 CG GLU A 555 28.134 -17.226 23.044 1.00 0.00 C ATOM 345 CD GLU A 555 27.040 -17.929 23.871 1.00 0.00 C ATOM 346 OE1 GLU A 555 27.010 -17.785 25.115 1.00 0.00 O ATOM 347 OE2 GLU A 555 26.210 -18.665 23.280 1.00 0.00 O ATOM 0 H GLU A 555 28.080 -15.777 20.771 1.00 0.00 H new ATOM 0 HA GLU A 555 29.083 -13.868 22.629 1.00 0.00 H new ATOM 0 HB2 GLU A 555 28.267 -15.469 24.282 1.00 0.00 H new ATOM 0 HB3 GLU A 555 27.101 -15.337 22.980 1.00 0.00 H new ATOM 0 HG2 GLU A 555 28.003 -17.467 21.989 1.00 0.00 H new ATOM 0 HG3 GLU A 555 29.112 -17.606 23.338 1.00 0.00 H new ATOM 354 N THR A 556 31.198 -16.176 21.852 1.00 0.00 N ATOM 355 CA THR A 556 32.621 -16.574 21.907 1.00 0.00 C ATOM 356 C THR A 556 33.582 -15.515 21.336 1.00 0.00 C ATOM 357 O THR A 556 34.802 -15.674 21.439 1.00 0.00 O ATOM 358 CB THR A 556 32.828 -17.891 21.136 1.00 0.00 C ATOM 359 OG1 THR A 556 32.417 -17.745 19.793 1.00 0.00 O ATOM 360 CG2 THR A 556 32.046 -19.066 21.746 1.00 0.00 C ATOM 0 H THR A 556 30.711 -16.588 21.056 1.00 0.00 H new ATOM 0 HA THR A 556 32.858 -16.692 22.964 1.00 0.00 H new ATOM 0 HB THR A 556 33.893 -18.113 21.197 1.00 0.00 H new ATOM 0 HG1 THR A 556 32.556 -18.589 19.315 1.00 0.00 H new ATOM 0 HG21 THR A 556 32.230 -19.968 21.162 1.00 0.00 H new ATOM 0 HG22 THR A 556 32.373 -19.226 22.773 1.00 0.00 H new ATOM 0 HG23 THR A 556 30.980 -18.838 21.736 1.00 0.00 H new ATOM 368 N SER A 557 33.071 -14.424 20.745 1.00 0.00 N ATOM 369 CA SER A 557 33.892 -13.353 20.147 1.00 0.00 C ATOM 370 C SER A 557 34.837 -12.650 21.138 1.00 0.00 C ATOM 371 O SER A 557 34.515 -12.482 22.320 1.00 0.00 O ATOM 372 CB SER A 557 33.000 -12.300 19.488 1.00 0.00 C ATOM 373 OG SER A 557 33.780 -11.278 18.894 1.00 0.00 O ATOM 0 H SER A 557 32.068 -14.256 20.667 1.00 0.00 H new ATOM 0 HA SER A 557 34.519 -13.854 19.409 1.00 0.00 H new ATOM 0 HB2 SER A 557 32.373 -12.771 18.731 1.00 0.00 H new ATOM 0 HB3 SER A 557 32.331 -11.867 20.232 1.00 0.00 H new ATOM 0 HG SER A 557 33.657 -11.296 17.922 1.00 0.00 H new ATOM 379 N GLN A 558 35.993 -12.202 20.641 1.00 0.00 N ATOM 380 CA GLN A 558 36.943 -11.346 21.362 1.00 0.00 C ATOM 381 C GLN A 558 36.433 -9.894 21.465 1.00 0.00 C ATOM 382 O GLN A 558 36.690 -9.044 20.618 1.00 0.00 O ATOM 383 CB GLN A 558 38.362 -11.503 20.789 1.00 0.00 C ATOM 384 CG GLN A 558 38.503 -11.185 19.301 1.00 0.00 C ATOM 385 CD GLN A 558 39.852 -11.649 18.753 1.00 0.00 C ATOM 386 OE1 GLN A 558 40.789 -10.884 18.596 1.00 0.00 O ATOM 387 NE2 GLN A 558 40.020 -12.925 18.455 1.00 0.00 N ATOM 0 H GLN A 558 36.304 -12.431 19.697 1.00 0.00 H new ATOM 0 HA GLN A 558 37.015 -11.679 22.397 1.00 0.00 H new ATOM 0 HB2 GLN A 558 39.036 -10.854 21.348 1.00 0.00 H new ATOM 0 HB3 GLN A 558 38.693 -12.528 20.958 1.00 0.00 H new ATOM 0 HG2 GLN A 558 37.699 -11.669 18.747 1.00 0.00 H new ATOM 0 HG3 GLN A 558 38.396 -10.111 19.146 1.00 0.00 H new ATOM 0 HE21 GLN A 558 39.251 -13.583 18.578 1.00 0.00 H new ATOM 0 HE22 GLN A 558 40.919 -13.252 18.102 1.00 0.00 H new ATOM 396 N ASP A 559 35.659 -9.625 22.522 1.00 0.00 N ATOM 397 CA ASP A 559 35.109 -8.309 22.893 1.00 0.00 C ATOM 398 C ASP A 559 34.257 -7.618 21.798 1.00 0.00 C ATOM 399 O ASP A 559 34.037 -6.405 21.848 1.00 0.00 O ATOM 400 CB ASP A 559 36.221 -7.389 23.455 1.00 0.00 C ATOM 401 CG ASP A 559 37.078 -8.012 24.580 1.00 0.00 C ATOM 402 OD1 ASP A 559 36.566 -8.817 25.396 1.00 0.00 O ATOM 403 OD2 ASP A 559 38.276 -7.649 24.696 1.00 0.00 O ATOM 0 H ASP A 559 35.383 -10.355 23.179 1.00 0.00 H new ATOM 0 HA ASP A 559 34.388 -8.505 23.686 1.00 0.00 H new ATOM 0 HB2 ASP A 559 36.879 -7.098 22.636 1.00 0.00 H new ATOM 0 HB3 ASP A 559 35.760 -6.476 23.833 1.00 0.00 H new ATOM 408 N MET A 560 33.762 -8.381 20.811 1.00 0.00 N ATOM 409 CA MET A 560 33.038 -7.887 19.629 1.00 0.00 C ATOM 410 C MET A 560 33.787 -6.842 18.792 1.00 0.00 C ATOM 411 O MET A 560 33.164 -5.986 18.160 1.00 0.00 O ATOM 412 CB MET A 560 31.607 -7.446 19.986 1.00 0.00 C ATOM 413 CG MET A 560 30.848 -8.509 20.780 1.00 0.00 C ATOM 414 SD MET A 560 29.051 -8.289 20.749 1.00 0.00 S ATOM 415 CE MET A 560 28.537 -10.014 20.998 1.00 0.00 C ATOM 0 H MET A 560 33.858 -9.396 20.814 1.00 0.00 H new ATOM 0 HA MET A 560 32.969 -8.747 18.963 1.00 0.00 H new ATOM 0 HB2 MET A 560 31.648 -6.524 20.566 1.00 0.00 H new ATOM 0 HB3 MET A 560 31.060 -7.222 19.070 1.00 0.00 H new ATOM 0 HG2 MET A 560 31.092 -9.493 20.380 1.00 0.00 H new ATOM 0 HG3 MET A 560 31.190 -8.491 21.815 1.00 0.00 H new ATOM 0 HE1 MET A 560 27.617 -10.039 21.582 1.00 0.00 H new ATOM 0 HE2 MET A 560 28.365 -10.486 20.031 1.00 0.00 H new ATOM 0 HE3 MET A 560 29.320 -10.554 21.531 1.00 0.00 H new ATOM 425 N ALA A 561 35.117 -6.918 18.760 1.00 0.00 N ATOM 426 CA ALA A 561 35.980 -5.984 18.033 1.00 0.00 C ATOM 427 C ALA A 561 37.071 -6.700 17.213 1.00 0.00 C ATOM 428 O ALA A 561 37.679 -7.665 17.691 1.00 0.00 O ATOM 429 CB ALA A 561 36.568 -4.978 19.028 1.00 0.00 C ATOM 0 H ALA A 561 35.637 -7.646 19.249 1.00 0.00 H new ATOM 0 HA ALA A 561 35.378 -5.450 17.298 1.00 0.00 H new ATOM 0 HB1 ALA A 561 37.213 -4.277 18.498 1.00 0.00 H new ATOM 0 HB2 ALA A 561 35.759 -4.432 19.514 1.00 0.00 H new ATOM 0 HB3 ALA A 561 37.151 -5.509 19.781 1.00 0.00 H new ATOM 435 N PHE A 562 37.344 -6.227 15.989 1.00 0.00 N ATOM 436 CA PHE A 562 38.391 -6.784 15.123 1.00 0.00 C ATOM 437 C PHE A 562 38.926 -5.744 14.116 1.00 0.00 C ATOM 438 O PHE A 562 38.276 -4.737 13.849 1.00 0.00 O ATOM 439 CB PHE A 562 37.868 -8.047 14.410 1.00 0.00 C ATOM 440 CG PHE A 562 38.979 -9.029 14.089 1.00 0.00 C ATOM 441 CD1 PHE A 562 39.643 -8.977 12.847 1.00 0.00 C ATOM 442 CD2 PHE A 562 39.392 -9.959 15.063 1.00 0.00 C ATOM 443 CE1 PHE A 562 40.714 -9.846 12.584 1.00 0.00 C ATOM 444 CE2 PHE A 562 40.451 -10.842 14.790 1.00 0.00 C ATOM 445 CZ PHE A 562 41.118 -10.783 13.550 1.00 0.00 C ATOM 0 H PHE A 562 36.842 -5.444 15.571 1.00 0.00 H new ATOM 0 HA PHE A 562 39.236 -7.064 15.752 1.00 0.00 H new ATOM 0 HB2 PHE A 562 37.125 -8.536 15.040 1.00 0.00 H new ATOM 0 HB3 PHE A 562 37.364 -7.758 13.488 1.00 0.00 H new ATOM 0 HD1 PHE A 562 39.328 -8.268 12.096 1.00 0.00 H new ATOM 0 HD2 PHE A 562 38.894 -9.994 16.021 1.00 0.00 H new ATOM 0 HE1 PHE A 562 41.229 -9.794 11.636 1.00 0.00 H new ATOM 0 HE2 PHE A 562 40.754 -11.567 15.531 1.00 0.00 H new ATOM 0 HZ PHE A 562 41.937 -11.456 13.343 1.00 0.00 H new ATOM 455 N LYS A 563 40.126 -5.967 13.574 1.00 0.00 N ATOM 456 CA LYS A 563 40.867 -5.022 12.715 1.00 0.00 C ATOM 457 C LYS A 563 40.546 -5.152 11.213 1.00 0.00 C ATOM 458 O LYS A 563 40.232 -6.242 10.732 1.00 0.00 O ATOM 459 CB LYS A 563 42.369 -5.232 13.006 1.00 0.00 C ATOM 460 CG LYS A 563 43.300 -4.156 12.418 1.00 0.00 C ATOM 461 CD LYS A 563 44.751 -4.415 12.844 1.00 0.00 C ATOM 462 CE LYS A 563 45.672 -3.315 12.298 1.00 0.00 C ATOM 463 NZ LYS A 563 47.074 -3.508 12.744 1.00 0.00 N ATOM 0 H LYS A 563 40.632 -6.840 13.723 1.00 0.00 H new ATOM 0 HA LYS A 563 40.557 -4.005 12.956 1.00 0.00 H new ATOM 0 HB2 LYS A 563 42.514 -5.266 14.086 1.00 0.00 H new ATOM 0 HB3 LYS A 563 42.668 -6.204 12.614 1.00 0.00 H new ATOM 0 HG2 LYS A 563 43.228 -4.158 11.330 1.00 0.00 H new ATOM 0 HG3 LYS A 563 42.985 -3.169 12.757 1.00 0.00 H new ATOM 0 HD2 LYS A 563 44.817 -4.447 13.931 1.00 0.00 H new ATOM 0 HD3 LYS A 563 45.077 -5.388 12.476 1.00 0.00 H new ATOM 0 HE2 LYS A 563 45.633 -3.314 11.209 1.00 0.00 H new ATOM 0 HE3 LYS A 563 45.314 -2.341 12.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 47.669 -2.748 12.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 47.114 -3.485 13.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 47.423 -4.427 12.405 1.00 0.00 H new ATOM 477 N CYS A 564 40.696 -4.048 10.474 1.00 0.00 N ATOM 478 CA CYS A 564 40.733 -3.974 9.012 1.00 0.00 C ATOM 479 C CYS A 564 42.194 -3.767 8.546 1.00 0.00 C ATOM 480 O CYS A 564 42.687 -2.643 8.679 1.00 0.00 O ATOM 481 CB CYS A 564 39.891 -2.793 8.506 1.00 0.00 C ATOM 482 SG CYS A 564 39.726 -2.951 6.687 1.00 0.00 S ATOM 0 H CYS A 564 40.801 -3.130 10.906 1.00 0.00 H new ATOM 0 HA CYS A 564 40.329 -4.903 8.611 1.00 0.00 H new ATOM 0 HB2 CYS A 564 38.909 -2.795 8.979 1.00 0.00 H new ATOM 0 HB3 CYS A 564 40.367 -1.847 8.764 1.00 0.00 H new ATOM 487 N PRO A 565 42.892 -4.789 8.012 1.00 0.00 N ATOM 488 CA PRO A 565 44.263 -4.653 7.519 1.00 0.00 C ATOM 489 C PRO A 565 44.445 -3.673 6.345 1.00 0.00 C ATOM 490 O PRO A 565 45.551 -3.175 6.136 1.00 0.00 O ATOM 491 CB PRO A 565 44.676 -6.069 7.096 1.00 0.00 C ATOM 492 CG PRO A 565 43.783 -6.989 7.926 1.00 0.00 C ATOM 493 CD PRO A 565 42.492 -6.191 8.026 1.00 0.00 C ATOM 0 HA PRO A 565 44.882 -4.226 8.308 1.00 0.00 H new ATOM 0 HB2 PRO A 565 44.524 -6.225 6.028 1.00 0.00 H new ATOM 0 HB3 PRO A 565 45.731 -6.252 7.298 1.00 0.00 H new ATOM 0 HG2 PRO A 565 43.628 -7.952 7.439 1.00 0.00 H new ATOM 0 HG3 PRO A 565 44.211 -7.193 8.907 1.00 0.00 H new ATOM 0 HD2 PRO A 565 41.827 -6.417 7.192 1.00 0.00 H new ATOM 0 HD3 PRO A 565 41.951 -6.435 8.940 1.00 0.00 H new ATOM 501 N ILE A 566 43.384 -3.405 5.569 1.00 0.00 N ATOM 502 CA ILE A 566 43.431 -2.542 4.373 1.00 0.00 C ATOM 503 C ILE A 566 43.567 -1.063 4.765 1.00 0.00 C ATOM 504 O ILE A 566 44.502 -0.390 4.322 1.00 0.00 O ATOM 505 CB ILE A 566 42.183 -2.766 3.484 1.00 0.00 C ATOM 506 CG1 ILE A 566 42.169 -4.203 2.907 1.00 0.00 C ATOM 507 CG2 ILE A 566 42.127 -1.751 2.322 1.00 0.00 C ATOM 508 CD1 ILE A 566 40.812 -4.653 2.347 1.00 0.00 C ATOM 0 H ILE A 566 42.456 -3.785 5.755 1.00 0.00 H new ATOM 0 HA ILE A 566 44.313 -2.817 3.794 1.00 0.00 H new ATOM 0 HB ILE A 566 41.308 -2.621 4.118 1.00 0.00 H new ATOM 0 HG12 ILE A 566 42.915 -4.270 2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 566 42.473 -4.898 3.690 1.00 0.00 H new ATOM 0 HG21 ILE A 566 41.239 -1.937 1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 566 42.086 -0.739 2.725 1.00 0.00 H new ATOM 0 HG23 ILE A 566 43.016 -1.859 1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 566 40.895 -5.670 1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 566 40.064 -4.623 3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 566 40.512 -3.985 1.539 1.00 0.00 H new ATOM 520 N CYS A 567 42.664 -0.552 5.610 1.00 0.00 N ATOM 521 CA CYS A 567 42.660 0.850 6.037 1.00 0.00 C ATOM 522 C CYS A 567 43.222 1.071 7.466 1.00 0.00 C ATOM 523 O CYS A 567 43.247 2.207 7.945 1.00 0.00 O ATOM 524 CB CYS A 567 41.256 1.432 5.816 1.00 0.00 C ATOM 525 SG CYS A 567 40.080 0.866 7.075 1.00 0.00 S ATOM 0 H CYS A 567 41.911 -1.105 6.019 1.00 0.00 H new ATOM 0 HA CYS A 567 43.362 1.406 5.416 1.00 0.00 H new ATOM 0 HB2 CYS A 567 41.308 2.521 5.832 1.00 0.00 H new ATOM 0 HB3 CYS A 567 40.896 1.145 4.828 1.00 0.00 H new ATOM 530 N LYS A 568 43.661 -0.019 8.123 1.00 0.00 N ATOM 531 CA LYS A 568 44.162 -0.100 9.515 1.00 0.00 C ATOM 532 C LYS A 568 43.174 0.435 10.557 1.00 0.00 C ATOM 533 O LYS A 568 43.576 1.158 11.475 1.00 0.00 O ATOM 534 CB LYS A 568 45.621 0.386 9.668 1.00 0.00 C ATOM 535 CG LYS A 568 45.868 1.886 9.416 1.00 0.00 C ATOM 536 CD LYS A 568 47.106 2.421 10.154 1.00 0.00 C ATOM 537 CE LYS A 568 46.745 3.179 11.448 1.00 0.00 C ATOM 538 NZ LYS A 568 46.034 2.333 12.446 1.00 0.00 N ATOM 0 H LYS A 568 43.678 -0.931 7.667 1.00 0.00 H new ATOM 0 HA LYS A 568 44.219 -1.162 9.752 1.00 0.00 H new ATOM 0 HB2 LYS A 568 45.957 0.148 10.677 1.00 0.00 H new ATOM 0 HB3 LYS A 568 46.246 -0.184 8.981 1.00 0.00 H new ATOM 0 HG2 LYS A 568 45.988 2.054 8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 568 44.991 2.451 9.731 1.00 0.00 H new ATOM 0 HD2 LYS A 568 47.767 1.589 10.397 1.00 0.00 H new ATOM 0 HD3 LYS A 568 47.660 3.085 9.491 1.00 0.00 H new ATOM 0 HE2 LYS A 568 47.657 3.571 11.898 1.00 0.00 H new ATOM 0 HE3 LYS A 568 46.120 4.036 11.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 45.790 2.908 13.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 45.165 1.951 12.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 46.650 1.548 12.737 1.00 0.00 H new ATOM 552 N GLU A 569 41.894 0.083 10.423 1.00 0.00 N ATOM 553 CA GLU A 569 40.836 0.517 11.358 1.00 0.00 C ATOM 554 C GLU A 569 40.291 -0.643 12.205 1.00 0.00 C ATOM 555 O GLU A 569 40.782 -1.762 12.097 1.00 0.00 O ATOM 556 CB GLU A 569 39.723 1.241 10.589 1.00 0.00 C ATOM 557 CG GLU A 569 40.127 2.645 10.110 1.00 0.00 C ATOM 558 CD GLU A 569 40.469 3.641 11.246 1.00 0.00 C ATOM 559 OE1 GLU A 569 41.193 4.630 10.985 1.00 0.00 O ATOM 560 OE2 GLU A 569 39.995 3.485 12.401 1.00 0.00 O ATOM 0 H GLU A 569 41.554 -0.510 9.666 1.00 0.00 H new ATOM 0 HA GLU A 569 41.278 1.218 12.066 1.00 0.00 H new ATOM 0 HB2 GLU A 569 39.436 0.639 9.727 1.00 0.00 H new ATOM 0 HB3 GLU A 569 38.843 1.322 11.228 1.00 0.00 H new ATOM 0 HG2 GLU A 569 40.991 2.555 9.451 1.00 0.00 H new ATOM 0 HG3 GLU A 569 39.314 3.059 9.514 1.00 0.00 H new ATOM 567 N THR A 570 39.293 -0.390 13.057 1.00 0.00 N ATOM 568 CA THR A 570 38.634 -1.397 13.900 1.00 0.00 C ATOM 569 C THR A 570 37.110 -1.388 13.695 1.00 0.00 C ATOM 570 O THR A 570 36.466 -0.344 13.820 1.00 0.00 O ATOM 571 CB THR A 570 38.966 -1.173 15.388 1.00 0.00 C ATOM 572 OG1 THR A 570 40.360 -1.292 15.599 1.00 0.00 O ATOM 573 CG2 THR A 570 38.301 -2.181 16.329 1.00 0.00 C ATOM 0 H THR A 570 38.909 0.546 13.184 1.00 0.00 H new ATOM 0 HA THR A 570 39.015 -2.373 13.598 1.00 0.00 H new ATOM 0 HB THR A 570 38.589 -0.176 15.615 1.00 0.00 H new ATOM 0 HG1 THR A 570 40.561 -1.146 16.547 1.00 0.00 H new ATOM 0 HG21 THR A 570 38.582 -1.958 17.358 1.00 0.00 H new ATOM 0 HG22 THR A 570 37.218 -2.115 16.226 1.00 0.00 H new ATOM 0 HG23 THR A 570 38.629 -3.189 16.073 1.00 0.00 H new ATOM 581 N VAL A 571 36.536 -2.557 13.391 1.00 0.00 N ATOM 582 CA VAL A 571 35.082 -2.802 13.391 1.00 0.00 C ATOM 583 C VAL A 571 34.609 -3.223 14.777 1.00 0.00 C ATOM 584 O VAL A 571 35.304 -3.958 15.481 1.00 0.00 O ATOM 585 CB VAL A 571 34.631 -3.879 12.381 1.00 0.00 C ATOM 586 CG1 VAL A 571 34.474 -3.276 10.993 1.00 0.00 C ATOM 587 CG2 VAL A 571 35.534 -5.108 12.302 1.00 0.00 C ATOM 0 H VAL A 571 37.078 -3.381 13.132 1.00 0.00 H new ATOM 0 HA VAL A 571 34.632 -1.855 13.092 1.00 0.00 H new ATOM 0 HB VAL A 571 33.673 -4.234 12.761 1.00 0.00 H new ATOM 0 HG11 VAL A 571 34.156 -4.050 10.294 1.00 0.00 H new ATOM 0 HG12 VAL A 571 33.726 -2.484 11.023 1.00 0.00 H new ATOM 0 HG13 VAL A 571 35.428 -2.862 10.666 1.00 0.00 H new ATOM 0 HG21 VAL A 571 35.135 -5.806 11.566 1.00 0.00 H new ATOM 0 HG22 VAL A 571 36.538 -4.804 12.006 1.00 0.00 H new ATOM 0 HG23 VAL A 571 35.575 -5.593 13.277 1.00 0.00 H new ATOM 597 N THR A 572 33.402 -2.803 15.156 1.00 0.00 N ATOM 598 CA THR A 572 32.750 -3.174 16.430 1.00 0.00 C ATOM 599 C THR A 572 31.314 -3.659 16.200 1.00 0.00 C ATOM 600 O THR A 572 30.619 -3.167 15.305 1.00 0.00 O ATOM 601 CB THR A 572 32.790 -2.028 17.457 1.00 0.00 C ATOM 602 OG1 THR A 572 32.213 -0.838 16.944 1.00 0.00 O ATOM 603 CG2 THR A 572 34.216 -1.694 17.905 1.00 0.00 C ATOM 0 H THR A 572 32.832 -2.183 14.581 1.00 0.00 H new ATOM 0 HA THR A 572 33.322 -4.001 16.850 1.00 0.00 H new ATOM 0 HB THR A 572 32.214 -2.389 18.309 1.00 0.00 H new ATOM 0 HG1 THR A 572 32.255 -0.134 17.625 1.00 0.00 H new ATOM 0 HG21 THR A 572 34.189 -0.880 18.629 1.00 0.00 H new ATOM 0 HG22 THR A 572 34.668 -2.573 18.364 1.00 0.00 H new ATOM 0 HG23 THR A 572 34.807 -1.391 17.041 1.00 0.00 H new ATOM 611 N GLY A 573 30.871 -4.643 16.981 1.00 0.00 N ATOM 612 CA GLY A 573 29.524 -5.219 16.898 1.00 0.00 C ATOM 613 C GLY A 573 28.409 -4.253 17.321 1.00 0.00 C ATOM 614 O GLY A 573 28.626 -3.370 18.157 1.00 0.00 O ATOM 0 H GLY A 573 31.448 -5.073 17.704 1.00 0.00 H new ATOM 0 HA2 GLY A 573 29.341 -5.544 15.874 1.00 0.00 H new ATOM 0 HA3 GLY A 573 29.480 -6.108 17.527 1.00 0.00 H new ATOM 618 N VAL A 574 27.205 -4.448 16.779 1.00 0.00 N ATOM 619 CA VAL A 574 25.989 -3.681 17.111 1.00 0.00 C ATOM 620 C VAL A 574 24.756 -4.582 17.244 1.00 0.00 C ATOM 621 O VAL A 574 24.627 -5.556 16.511 1.00 0.00 O ATOM 622 CB VAL A 574 25.783 -2.537 16.094 1.00 0.00 C ATOM 623 CG1 VAL A 574 25.369 -2.991 14.702 1.00 0.00 C ATOM 624 CG2 VAL A 574 24.731 -1.530 16.591 1.00 0.00 C ATOM 0 H VAL A 574 27.038 -5.166 16.074 1.00 0.00 H new ATOM 0 HA VAL A 574 26.129 -3.229 18.093 1.00 0.00 H new ATOM 0 HB VAL A 574 26.768 -2.076 16.014 1.00 0.00 H new ATOM 0 HG11 VAL A 574 25.248 -2.121 14.057 1.00 0.00 H new ATOM 0 HG12 VAL A 574 26.137 -3.645 14.289 1.00 0.00 H new ATOM 0 HG13 VAL A 574 24.425 -3.533 14.762 1.00 0.00 H new ATOM 0 HG21 VAL A 574 24.609 -0.737 15.853 1.00 0.00 H new ATOM 0 HG22 VAL A 574 23.779 -2.040 16.736 1.00 0.00 H new ATOM 0 HG23 VAL A 574 25.059 -1.098 17.537 1.00 0.00 H new ATOM 634 N TYR A 575 23.851 -4.317 18.187 1.00 0.00 N ATOM 635 CA TYR A 575 22.719 -5.210 18.477 1.00 0.00 C ATOM 636 C TYR A 575 21.582 -5.097 17.441 1.00 0.00 C ATOM 637 O TYR A 575 21.030 -4.016 17.229 1.00 0.00 O ATOM 638 CB TYR A 575 22.195 -4.935 19.894 1.00 0.00 C ATOM 639 CG TYR A 575 21.103 -5.886 20.347 1.00 0.00 C ATOM 640 CD1 TYR A 575 21.434 -7.211 20.711 1.00 0.00 C ATOM 641 CD2 TYR A 575 19.764 -5.453 20.423 1.00 0.00 C ATOM 642 CE1 TYR A 575 20.435 -8.084 21.181 1.00 0.00 C ATOM 643 CE2 TYR A 575 18.762 -6.328 20.893 1.00 0.00 C ATOM 644 CZ TYR A 575 19.096 -7.646 21.274 1.00 0.00 C ATOM 645 OH TYR A 575 18.119 -8.469 21.743 1.00 0.00 O ATOM 0 H TYR A 575 23.878 -3.482 18.772 1.00 0.00 H new ATOM 0 HA TYR A 575 23.087 -6.234 18.413 1.00 0.00 H new ATOM 0 HB2 TYR A 575 23.027 -4.994 20.595 1.00 0.00 H new ATOM 0 HB3 TYR A 575 21.814 -3.915 19.937 1.00 0.00 H new ATOM 0 HD1 TYR A 575 22.455 -7.554 20.628 1.00 0.00 H new ATOM 0 HD2 TYR A 575 19.504 -4.449 20.121 1.00 0.00 H new ATOM 0 HE1 TYR A 575 20.693 -9.092 21.471 1.00 0.00 H new ATOM 0 HE2 TYR A 575 17.739 -5.989 20.961 1.00 0.00 H new ATOM 0 HH TYR A 575 17.261 -7.995 21.736 1.00 0.00 H new ATOM 655 N ASP A 576 21.221 -6.218 16.813 1.00 0.00 N ATOM 656 CA ASP A 576 20.028 -6.356 15.974 1.00 0.00 C ATOM 657 C ASP A 576 18.811 -6.808 16.798 1.00 0.00 C ATOM 658 O ASP A 576 18.809 -7.906 17.359 1.00 0.00 O ATOM 659 CB ASP A 576 20.266 -7.363 14.843 1.00 0.00 C ATOM 660 CG ASP A 576 19.058 -7.453 13.884 1.00 0.00 C ATOM 661 OD1 ASP A 576 18.732 -8.574 13.429 1.00 0.00 O ATOM 662 OD2 ASP A 576 18.417 -6.411 13.601 1.00 0.00 O ATOM 0 H ASP A 576 21.765 -7.078 16.876 1.00 0.00 H new ATOM 0 HA ASP A 576 19.824 -5.373 15.549 1.00 0.00 H new ATOM 0 HB2 ASP A 576 21.154 -7.074 14.281 1.00 0.00 H new ATOM 0 HB3 ASP A 576 20.465 -8.346 15.269 1.00 0.00 H new ATOM 667 N GLU A 577 17.767 -5.985 16.851 1.00 0.00 N ATOM 668 CA GLU A 577 16.537 -6.268 17.622 1.00 0.00 C ATOM 669 C GLU A 577 15.659 -7.379 17.003 1.00 0.00 C ATOM 670 O GLU A 577 14.930 -8.062 17.721 1.00 0.00 O ATOM 671 CB GLU A 577 15.706 -4.984 17.794 1.00 0.00 C ATOM 672 CG GLU A 577 16.439 -3.887 18.591 1.00 0.00 C ATOM 673 CD GLU A 577 15.518 -2.697 18.939 1.00 0.00 C ATOM 674 OE1 GLU A 577 15.559 -2.217 20.098 1.00 0.00 O ATOM 675 OE2 GLU A 577 14.758 -2.215 18.064 1.00 0.00 O ATOM 0 H GLU A 577 17.741 -5.092 16.359 1.00 0.00 H new ATOM 0 HA GLU A 577 16.868 -6.636 18.593 1.00 0.00 H new ATOM 0 HB2 GLU A 577 15.443 -4.595 16.810 1.00 0.00 H new ATOM 0 HB3 GLU A 577 14.772 -5.229 18.300 1.00 0.00 H new ATOM 0 HG2 GLU A 577 16.838 -4.315 19.511 1.00 0.00 H new ATOM 0 HG3 GLU A 577 17.289 -3.527 18.012 1.00 0.00 H new ATOM 682 N GLU A 578 15.714 -7.571 15.677 1.00 0.00 N ATOM 683 CA GLU A 578 14.904 -8.572 14.959 1.00 0.00 C ATOM 684 C GLU A 578 15.436 -10.002 15.168 1.00 0.00 C ATOM 685 O GLU A 578 14.663 -10.895 15.540 1.00 0.00 O ATOM 686 CB GLU A 578 14.825 -8.232 13.454 1.00 0.00 C ATOM 687 CG GLU A 578 13.656 -7.301 13.091 1.00 0.00 C ATOM 688 CD GLU A 578 13.664 -5.940 13.821 1.00 0.00 C ATOM 689 OE1 GLU A 578 14.592 -5.122 13.603 1.00 0.00 O ATOM 690 OE2 GLU A 578 12.722 -5.663 14.608 1.00 0.00 O ATOM 0 H GLU A 578 16.327 -7.032 15.065 1.00 0.00 H new ATOM 0 HA GLU A 578 13.898 -8.537 15.378 1.00 0.00 H new ATOM 0 HB2 GLU A 578 15.760 -7.763 13.147 1.00 0.00 H new ATOM 0 HB3 GLU A 578 14.731 -9.157 12.886 1.00 0.00 H new ATOM 0 HG2 GLU A 578 13.673 -7.121 12.016 1.00 0.00 H new ATOM 0 HG3 GLU A 578 12.720 -7.812 13.314 1.00 0.00 H new ATOM 697 N SER A 579 16.739 -10.235 14.964 1.00 0.00 N ATOM 698 CA SER A 579 17.395 -11.506 15.293 1.00 0.00 C ATOM 699 C SER A 579 17.598 -11.682 16.806 1.00 0.00 C ATOM 700 O SER A 579 17.611 -12.812 17.302 1.00 0.00 O ATOM 701 CB SER A 579 18.738 -11.619 14.574 1.00 0.00 C ATOM 702 OG SER A 579 19.277 -12.927 14.677 1.00 0.00 O ATOM 0 H SER A 579 17.371 -9.542 14.563 1.00 0.00 H new ATOM 0 HA SER A 579 16.732 -12.302 14.953 1.00 0.00 H new ATOM 0 HB2 SER A 579 18.612 -11.359 13.523 1.00 0.00 H new ATOM 0 HB3 SER A 579 19.440 -10.901 14.998 1.00 0.00 H new ATOM 0 HG SER A 579 20.135 -12.965 14.205 1.00 0.00 H new ATOM 708 N GLY A 580 17.748 -10.575 17.541 1.00 0.00 N ATOM 709 CA GLY A 580 18.056 -10.587 18.972 1.00 0.00 C ATOM 710 C GLY A 580 19.530 -10.911 19.259 1.00 0.00 C ATOM 711 O GLY A 580 19.845 -11.500 20.290 1.00 0.00 O ATOM 0 H GLY A 580 17.658 -9.636 17.153 1.00 0.00 H new ATOM 0 HA2 GLY A 580 17.812 -9.615 19.400 1.00 0.00 H new ATOM 0 HA3 GLY A 580 17.423 -11.322 19.469 1.00 0.00 H new ATOM 715 N GLU A 581 20.425 -10.555 18.334 1.00 0.00 N ATOM 716 CA GLU A 581 21.852 -10.899 18.353 1.00 0.00 C ATOM 717 C GLU A 581 22.709 -9.730 17.849 1.00 0.00 C ATOM 718 O GLU A 581 22.246 -8.854 17.124 1.00 0.00 O ATOM 719 CB GLU A 581 22.127 -12.131 17.466 1.00 0.00 C ATOM 720 CG GLU A 581 21.485 -13.454 17.923 1.00 0.00 C ATOM 721 CD GLU A 581 21.978 -13.978 19.292 1.00 0.00 C ATOM 722 OE1 GLU A 581 23.065 -13.585 19.774 1.00 0.00 O ATOM 723 OE2 GLU A 581 21.289 -14.842 19.889 1.00 0.00 O ATOM 0 H GLU A 581 20.167 -9.998 17.519 1.00 0.00 H new ATOM 0 HA GLU A 581 22.117 -11.122 19.386 1.00 0.00 H new ATOM 0 HB2 GLU A 581 21.778 -11.911 16.457 1.00 0.00 H new ATOM 0 HB3 GLU A 581 23.206 -12.276 17.406 1.00 0.00 H new ATOM 0 HG2 GLU A 581 20.404 -13.320 17.970 1.00 0.00 H new ATOM 0 HG3 GLU A 581 21.679 -14.215 17.168 1.00 0.00 H new ATOM 730 N TRP A 582 23.987 -9.707 18.229 1.00 0.00 N ATOM 731 CA TRP A 582 24.945 -8.685 17.783 1.00 0.00 C ATOM 732 C TRP A 582 25.477 -8.972 16.371 1.00 0.00 C ATOM 733 O TRP A 582 25.666 -10.126 15.990 1.00 0.00 O ATOM 734 CB TRP A 582 26.062 -8.569 18.825 1.00 0.00 C ATOM 735 CG TRP A 582 25.625 -8.066 20.170 1.00 0.00 C ATOM 736 CD1 TRP A 582 25.030 -8.808 21.135 1.00 0.00 C ATOM 737 CD2 TRP A 582 25.710 -6.708 20.715 1.00 0.00 C ATOM 738 NE1 TRP A 582 24.732 -8.008 22.226 1.00 0.00 N ATOM 739 CE2 TRP A 582 25.111 -6.702 22.010 1.00 0.00 C ATOM 740 CE3 TRP A 582 26.239 -5.487 20.245 1.00 0.00 C ATOM 741 CZ2 TRP A 582 25.009 -5.533 22.788 1.00 0.00 C ATOM 742 CZ3 TRP A 582 26.149 -4.310 21.022 1.00 0.00 C ATOM 743 CH2 TRP A 582 25.528 -4.329 22.283 1.00 0.00 C ATOM 0 H TRP A 582 24.393 -10.399 18.859 1.00 0.00 H new ATOM 0 HA TRP A 582 24.439 -7.723 17.706 1.00 0.00 H new ATOM 0 HB2 TRP A 582 26.523 -9.549 18.952 1.00 0.00 H new ATOM 0 HB3 TRP A 582 26.832 -7.902 18.437 1.00 0.00 H new ATOM 0 HD1 TRP A 582 24.820 -9.865 21.064 1.00 0.00 H new ATOM 0 HE1 TRP A 582 24.288 -8.344 23.081 1.00 0.00 H new ATOM 0 HE3 TRP A 582 26.719 -5.452 19.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 582 24.538 -5.561 23.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 582 26.561 -3.387 20.643 1.00 0.00 H new ATOM 0 HH2 TRP A 582 25.450 -3.421 22.862 1.00 0.00 H new ATOM 754 N VAL A 583 25.760 -7.933 15.589 1.00 0.00 N ATOM 755 CA VAL A 583 26.221 -7.995 14.187 1.00 0.00 C ATOM 756 C VAL A 583 27.391 -7.039 13.912 1.00 0.00 C ATOM 757 O VAL A 583 27.394 -5.897 14.366 1.00 0.00 O ATOM 758 CB VAL A 583 25.069 -7.744 13.189 1.00 0.00 C ATOM 759 CG1 VAL A 583 24.118 -8.942 13.112 1.00 0.00 C ATOM 760 CG2 VAL A 583 24.228 -6.489 13.457 1.00 0.00 C ATOM 0 H VAL A 583 25.673 -6.974 15.924 1.00 0.00 H new ATOM 0 HA VAL A 583 26.585 -9.011 14.035 1.00 0.00 H new ATOM 0 HB VAL A 583 25.588 -7.588 12.243 1.00 0.00 H new ATOM 0 HG11 VAL A 583 23.321 -8.728 12.400 1.00 0.00 H new ATOM 0 HG12 VAL A 583 24.669 -9.824 12.786 1.00 0.00 H new ATOM 0 HG13 VAL A 583 23.686 -9.128 14.095 1.00 0.00 H new ATOM 0 HG21 VAL A 583 23.448 -6.406 12.701 1.00 0.00 H new ATOM 0 HG22 VAL A 583 23.771 -6.561 14.444 1.00 0.00 H new ATOM 0 HG23 VAL A 583 24.867 -5.607 13.417 1.00 0.00 H new ATOM 770 N TRP A 584 28.381 -7.488 13.144 1.00 0.00 N ATOM 771 CA TRP A 584 29.481 -6.686 12.596 1.00 0.00 C ATOM 772 C TRP A 584 29.026 -6.166 11.228 1.00 0.00 C ATOM 773 O TRP A 584 29.036 -6.911 10.245 1.00 0.00 O ATOM 774 CB TRP A 584 30.745 -7.569 12.473 1.00 0.00 C ATOM 775 CG TRP A 584 31.732 -7.548 13.606 1.00 0.00 C ATOM 776 CD1 TRP A 584 32.228 -6.441 14.207 1.00 0.00 C ATOM 777 CD2 TRP A 584 32.463 -8.671 14.185 1.00 0.00 C ATOM 778 NE1 TRP A 584 33.119 -6.810 15.199 1.00 0.00 N ATOM 779 CE2 TRP A 584 33.346 -8.169 15.190 1.00 0.00 C ATOM 780 CE3 TRP A 584 32.476 -10.068 13.965 1.00 0.00 C ATOM 781 CZ2 TRP A 584 34.203 -9.008 15.915 1.00 0.00 C ATOM 782 CZ3 TRP A 584 33.330 -10.918 14.696 1.00 0.00 C ATOM 783 CH2 TRP A 584 34.206 -10.389 15.663 1.00 0.00 C ATOM 0 H TRP A 584 28.444 -8.469 12.871 1.00 0.00 H new ATOM 0 HA TRP A 584 29.729 -5.845 13.243 1.00 0.00 H new ATOM 0 HB2 TRP A 584 30.420 -8.600 12.332 1.00 0.00 H new ATOM 0 HB3 TRP A 584 31.272 -7.274 11.565 1.00 0.00 H new ATOM 0 HD1 TRP A 584 31.968 -5.425 13.951 1.00 0.00 H new ATOM 0 HE1 TRP A 584 33.553 -6.159 15.854 1.00 0.00 H new ATOM 0 HE3 TRP A 584 31.818 -10.492 13.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 584 34.859 -8.593 16.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 584 33.312 -11.982 14.513 1.00 0.00 H new ATOM 0 HH2 TRP A 584 34.875 -11.040 16.206 1.00 0.00 H new ATOM 794 N LYS A 585 28.585 -4.902 11.164 1.00 0.00 N ATOM 795 CA LYS A 585 28.131 -4.250 9.917 1.00 0.00 C ATOM 796 C LYS A 585 29.296 -3.858 9.008 1.00 0.00 C ATOM 797 O LYS A 585 30.396 -3.600 9.494 1.00 0.00 O ATOM 798 CB LYS A 585 27.231 -3.044 10.234 1.00 0.00 C ATOM 799 CG LYS A 585 25.930 -3.474 10.933 1.00 0.00 C ATOM 800 CD LYS A 585 24.833 -2.396 10.887 1.00 0.00 C ATOM 801 CE LYS A 585 25.315 -1.011 11.353 1.00 0.00 C ATOM 802 NZ LYS A 585 24.202 -0.027 11.374 1.00 0.00 N ATOM 0 H LYS A 585 28.531 -4.294 11.981 1.00 0.00 H new ATOM 0 HA LYS A 585 27.542 -4.980 9.363 1.00 0.00 H new ATOM 0 HB2 LYS A 585 27.772 -2.344 10.870 1.00 0.00 H new ATOM 0 HB3 LYS A 585 26.991 -2.516 9.311 1.00 0.00 H new ATOM 0 HG2 LYS A 585 25.556 -4.384 10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 585 26.147 -3.718 11.973 1.00 0.00 H new ATOM 0 HD2 LYS A 585 24.455 -2.317 9.868 1.00 0.00 H new ATOM 0 HD3 LYS A 585 23.998 -2.711 11.513 1.00 0.00 H new ATOM 0 HE2 LYS A 585 25.750 -1.092 12.349 1.00 0.00 H new ATOM 0 HE3 LYS A 585 26.103 -0.656 10.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 585 24.560 0.896 11.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 585 23.804 0.067 10.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 585 23.461 -0.355 12.026 1.00 0.00 H new ATOM 816 N ASN A 586 29.063 -3.844 7.694 1.00 0.00 N ATOM 817 CA ASN A 586 30.070 -3.605 6.647 1.00 0.00 C ATOM 818 C ASN A 586 31.315 -4.517 6.804 1.00 0.00 C ATOM 819 O ASN A 586 32.446 -4.061 6.646 1.00 0.00 O ATOM 820 CB ASN A 586 30.370 -2.091 6.563 1.00 0.00 C ATOM 821 CG ASN A 586 31.300 -1.699 5.415 1.00 0.00 C ATOM 822 OD1 ASN A 586 31.440 -2.391 4.420 1.00 0.00 O ATOM 823 ND2 ASN A 586 31.969 -0.576 5.517 1.00 0.00 N ATOM 0 H ASN A 586 28.132 -4.005 7.310 1.00 0.00 H new ATOM 0 HA ASN A 586 29.670 -3.898 5.677 1.00 0.00 H new ATOM 0 HB2 ASN A 586 29.429 -1.551 6.454 1.00 0.00 H new ATOM 0 HB3 ASN A 586 30.816 -1.768 7.504 1.00 0.00 H new ATOM 0 HD21 ASN A 586 32.599 -0.288 4.769 1.00 0.00 H new ATOM 0 HD22 ASN A 586 31.859 0.010 6.345 1.00 0.00 H new ATOM 830 N THR A 587 31.124 -5.794 7.160 1.00 0.00 N ATOM 831 CA THR A 587 32.220 -6.748 7.459 1.00 0.00 C ATOM 832 C THR A 587 32.142 -8.026 6.621 1.00 0.00 C ATOM 833 O THR A 587 31.053 -8.526 6.326 1.00 0.00 O ATOM 834 CB THR A 587 32.275 -7.088 8.959 1.00 0.00 C ATOM 835 OG1 THR A 587 32.427 -5.911 9.723 1.00 0.00 O ATOM 836 CG2 THR A 587 33.451 -7.986 9.341 1.00 0.00 C ATOM 0 H THR A 587 30.196 -6.207 7.252 1.00 0.00 H new ATOM 0 HA THR A 587 33.145 -6.242 7.183 1.00 0.00 H new ATOM 0 HB THR A 587 31.339 -7.608 9.163 1.00 0.00 H new ATOM 0 HG1 THR A 587 31.654 -5.326 9.580 1.00 0.00 H new ATOM 0 HG21 THR A 587 33.425 -8.183 10.413 1.00 0.00 H new ATOM 0 HG22 THR A 587 33.381 -8.928 8.797 1.00 0.00 H new ATOM 0 HG23 THR A 587 34.387 -7.488 9.086 1.00 0.00 H new ATOM 844 N ILE A 588 33.311 -8.568 6.274 1.00 0.00 N ATOM 845 CA ILE A 588 33.535 -9.772 5.458 1.00 0.00 C ATOM 846 C ILE A 588 34.738 -10.574 5.988 1.00 0.00 C ATOM 847 O ILE A 588 35.701 -10.005 6.503 1.00 0.00 O ATOM 848 CB ILE A 588 33.675 -9.384 3.960 1.00 0.00 C ATOM 849 CG1 ILE A 588 34.099 -10.586 3.092 1.00 0.00 C ATOM 850 CG2 ILE A 588 34.679 -8.242 3.743 1.00 0.00 C ATOM 851 CD1 ILE A 588 33.997 -10.365 1.579 1.00 0.00 C ATOM 0 H ILE A 588 34.191 -8.150 6.575 1.00 0.00 H new ATOM 0 HA ILE A 588 32.670 -10.430 5.537 1.00 0.00 H new ATOM 0 HB ILE A 588 32.685 -9.047 3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 588 35.129 -10.845 3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 588 33.482 -11.443 3.360 1.00 0.00 H new ATOM 0 HG21 ILE A 588 34.740 -8.009 2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 588 34.349 -7.359 4.290 1.00 0.00 H new ATOM 0 HG23 ILE A 588 35.661 -8.547 4.105 1.00 0.00 H new ATOM 0 HD11 ILE A 588 34.317 -11.267 1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 588 32.964 -10.139 1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 588 34.637 -9.532 1.289 1.00 0.00 H new ATOM 863 N GLU A 589 34.690 -11.902 5.839 1.00 0.00 N ATOM 864 CA GLU A 589 35.811 -12.823 6.075 1.00 0.00 C ATOM 865 C GLU A 589 36.293 -13.407 4.727 1.00 0.00 C ATOM 866 O GLU A 589 35.504 -13.977 3.971 1.00 0.00 O ATOM 867 CB GLU A 589 35.386 -13.938 7.044 1.00 0.00 C ATOM 868 CG GLU A 589 36.586 -14.810 7.459 1.00 0.00 C ATOM 869 CD GLU A 589 36.219 -15.988 8.395 1.00 0.00 C ATOM 870 OE1 GLU A 589 37.082 -16.402 9.206 1.00 0.00 O ATOM 871 OE2 GLU A 589 35.105 -16.557 8.287 1.00 0.00 O ATOM 0 H GLU A 589 33.842 -12.383 5.541 1.00 0.00 H new ATOM 0 HA GLU A 589 36.639 -12.281 6.532 1.00 0.00 H new ATOM 0 HB2 GLU A 589 34.931 -13.497 7.931 1.00 0.00 H new ATOM 0 HB3 GLU A 589 34.627 -14.562 6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 589 37.060 -15.207 6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 589 37.324 -14.181 7.957 1.00 0.00 H new ATOM 878 N VAL A 590 37.589 -13.280 4.441 1.00 0.00 N ATOM 879 CA VAL A 590 38.253 -13.703 3.197 1.00 0.00 C ATOM 880 C VAL A 590 39.639 -14.250 3.512 1.00 0.00 C ATOM 881 O VAL A 590 40.432 -13.623 4.211 1.00 0.00 O ATOM 882 CB VAL A 590 38.254 -12.549 2.160 1.00 0.00 C ATOM 883 CG1 VAL A 590 39.443 -12.553 1.190 1.00 0.00 C ATOM 884 CG2 VAL A 590 36.986 -12.588 1.301 1.00 0.00 C ATOM 0 H VAL A 590 38.242 -12.858 5.101 1.00 0.00 H new ATOM 0 HA VAL A 590 37.696 -14.517 2.733 1.00 0.00 H new ATOM 0 HB VAL A 590 38.316 -11.649 2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 590 39.356 -11.710 0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 590 40.372 -12.468 1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 590 39.446 -13.484 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 590 37.009 -11.770 0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 590 36.936 -13.538 0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 590 36.110 -12.484 1.941 1.00 0.00 H new ATOM 894 N ASN A 591 39.928 -15.443 2.986 1.00 0.00 N ATOM 895 CA ASN A 591 41.235 -16.102 3.061 1.00 0.00 C ATOM 896 C ASN A 591 41.802 -16.221 4.500 1.00 0.00 C ATOM 897 O ASN A 591 43.003 -16.069 4.733 1.00 0.00 O ATOM 898 CB ASN A 591 42.180 -15.438 2.043 1.00 0.00 C ATOM 899 CG ASN A 591 41.710 -15.500 0.596 1.00 0.00 C ATOM 900 OD1 ASN A 591 40.911 -16.341 0.200 1.00 0.00 O ATOM 901 ND2 ASN A 591 42.193 -14.619 -0.249 1.00 0.00 N ATOM 0 H ASN A 591 39.236 -15.995 2.479 1.00 0.00 H new ATOM 0 HA ASN A 591 41.121 -17.149 2.781 1.00 0.00 H new ATOM 0 HB2 ASN A 591 42.314 -14.393 2.322 1.00 0.00 H new ATOM 0 HB3 ASN A 591 43.158 -15.914 2.113 1.00 0.00 H new ATOM 0 HD21 ASN A 591 41.903 -14.638 -1.227 1.00 0.00 H new ATOM 0 HD22 ASN A 591 42.858 -13.916 0.072 1.00 0.00 H new ATOM 908 N GLY A 592 40.921 -16.469 5.480 1.00 0.00 N ATOM 909 CA GLY A 592 41.264 -16.606 6.904 1.00 0.00 C ATOM 910 C GLY A 592 41.475 -15.287 7.663 1.00 0.00 C ATOM 911 O GLY A 592 41.908 -15.328 8.818 1.00 0.00 O ATOM 0 H GLY A 592 39.924 -16.583 5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 592 40.471 -17.167 7.399 1.00 0.00 H new ATOM 0 HA3 GLY A 592 42.174 -17.201 6.985 1.00 0.00 H new ATOM 915 N LYS A 593 41.176 -14.130 7.048 1.00 0.00 N ATOM 916 CA LYS A 593 41.279 -12.783 7.642 1.00 0.00 C ATOM 917 C LYS A 593 39.965 -12.001 7.490 1.00 0.00 C ATOM 918 O LYS A 593 39.167 -12.266 6.593 1.00 0.00 O ATOM 919 CB LYS A 593 42.457 -12.022 7.004 1.00 0.00 C ATOM 920 CG LYS A 593 43.815 -12.600 7.432 1.00 0.00 C ATOM 921 CD LYS A 593 45.005 -11.862 6.808 1.00 0.00 C ATOM 922 CE LYS A 593 45.114 -12.134 5.298 1.00 0.00 C ATOM 923 NZ LYS A 593 46.326 -11.505 4.713 1.00 0.00 N ATOM 0 H LYS A 593 40.842 -14.105 6.084 1.00 0.00 H new ATOM 0 HA LYS A 593 41.466 -12.888 8.711 1.00 0.00 H new ATOM 0 HB2 LYS A 593 42.371 -12.065 5.918 1.00 0.00 H new ATOM 0 HB3 LYS A 593 42.405 -10.971 7.287 1.00 0.00 H new ATOM 0 HG2 LYS A 593 43.896 -12.556 8.518 1.00 0.00 H new ATOM 0 HG3 LYS A 593 43.860 -13.652 7.152 1.00 0.00 H new ATOM 0 HD2 LYS A 593 44.899 -10.791 6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 593 45.926 -12.173 7.301 1.00 0.00 H new ATOM 0 HE2 LYS A 593 45.142 -13.209 5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 593 44.226 -11.752 4.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 46.366 -11.710 3.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 46.288 -10.476 4.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 47.174 -11.889 5.177 1.00 0.00 H new ATOM 937 N TYR A 594 39.742 -11.032 8.373 1.00 0.00 N ATOM 938 CA TYR A 594 38.583 -10.132 8.326 1.00 0.00 C ATOM 939 C TYR A 594 38.919 -8.779 7.690 1.00 0.00 C ATOM 940 O TYR A 594 40.042 -8.288 7.803 1.00 0.00 O ATOM 941 CB TYR A 594 37.999 -9.936 9.725 1.00 0.00 C ATOM 942 CG TYR A 594 37.207 -11.132 10.206 1.00 0.00 C ATOM 943 CD1 TYR A 594 35.828 -11.188 9.939 1.00 0.00 C ATOM 944 CD2 TYR A 594 37.842 -12.198 10.876 1.00 0.00 C ATOM 945 CE1 TYR A 594 35.071 -12.297 10.357 1.00 0.00 C ATOM 946 CE2 TYR A 594 37.092 -13.322 11.273 1.00 0.00 C ATOM 947 CZ TYR A 594 35.704 -13.369 11.020 1.00 0.00 C ATOM 948 OH TYR A 594 34.965 -14.446 11.411 1.00 0.00 O ATOM 0 H TYR A 594 40.369 -10.843 9.155 1.00 0.00 H new ATOM 0 HA TYR A 594 37.835 -10.607 7.691 1.00 0.00 H new ATOM 0 HB2 TYR A 594 38.809 -9.737 10.427 1.00 0.00 H new ATOM 0 HB3 TYR A 594 37.355 -9.057 9.724 1.00 0.00 H new ATOM 0 HD1 TYR A 594 35.348 -10.377 9.411 1.00 0.00 H new ATOM 0 HD2 TYR A 594 38.901 -12.153 11.084 1.00 0.00 H new ATOM 0 HE1 TYR A 594 34.008 -12.328 10.171 1.00 0.00 H new ATOM 0 HE2 TYR A 594 37.579 -14.148 11.771 1.00 0.00 H new ATOM 0 HH TYR A 594 35.547 -15.099 11.853 1.00 0.00 H new ATOM 958 N PHE A 595 37.919 -8.184 7.044 1.00 0.00 N ATOM 959 CA PHE A 595 38.009 -6.948 6.270 1.00 0.00 C ATOM 960 C PHE A 595 36.678 -6.177 6.280 1.00 0.00 C ATOM 961 O PHE A 595 35.617 -6.743 6.563 1.00 0.00 O ATOM 962 CB PHE A 595 38.399 -7.307 4.822 1.00 0.00 C ATOM 963 CG PHE A 595 39.726 -8.014 4.640 1.00 0.00 C ATOM 964 CD1 PHE A 595 39.764 -9.409 4.438 1.00 0.00 C ATOM 965 CD2 PHE A 595 40.923 -7.278 4.669 1.00 0.00 C ATOM 966 CE1 PHE A 595 40.997 -10.052 4.232 1.00 0.00 C ATOM 967 CE2 PHE A 595 42.155 -7.925 4.465 1.00 0.00 C ATOM 968 CZ PHE A 595 42.192 -9.311 4.234 1.00 0.00 C ATOM 0 H PHE A 595 36.975 -8.571 7.046 1.00 0.00 H new ATOM 0 HA PHE A 595 38.763 -6.302 6.720 1.00 0.00 H new ATOM 0 HB2 PHE A 595 37.615 -7.938 4.403 1.00 0.00 H new ATOM 0 HB3 PHE A 595 38.417 -6.389 4.235 1.00 0.00 H new ATOM 0 HD1 PHE A 595 38.848 -9.982 4.442 1.00 0.00 H new ATOM 0 HD2 PHE A 595 40.897 -6.213 4.848 1.00 0.00 H new ATOM 0 HE1 PHE A 595 41.027 -11.120 4.072 1.00 0.00 H new ATOM 0 HE2 PHE A 595 43.073 -7.357 4.486 1.00 0.00 H new ATOM 0 HZ PHE A 595 43.136 -9.806 4.058 1.00 0.00 H new ATOM 978 N HIS A 596 36.718 -4.887 5.938 1.00 0.00 N ATOM 979 CA HIS A 596 35.504 -4.112 5.635 1.00 0.00 C ATOM 980 C HIS A 596 34.994 -4.526 4.254 1.00 0.00 C ATOM 981 O HIS A 596 35.797 -4.698 3.334 1.00 0.00 O ATOM 982 CB HIS A 596 35.779 -2.613 5.582 1.00 0.00 C ATOM 983 CG HIS A 596 35.894 -1.859 6.873 1.00 0.00 C ATOM 984 ND1 HIS A 596 37.007 -1.091 7.173 1.00 0.00 N ATOM 985 CD2 HIS A 596 34.945 -1.680 7.838 1.00 0.00 C ATOM 986 CE1 HIS A 596 36.721 -0.456 8.324 1.00 0.00 C ATOM 987 NE2 HIS A 596 35.489 -0.795 8.748 1.00 0.00 N ATOM 0 H HIS A 596 37.582 -4.351 5.863 1.00 0.00 H new ATOM 0 HA HIS A 596 34.780 -4.312 6.424 1.00 0.00 H new ATOM 0 HB2 HIS A 596 36.707 -2.466 5.029 1.00 0.00 H new ATOM 0 HB3 HIS A 596 34.983 -2.151 4.998 1.00 0.00 H new ATOM 0 HD2 HIS A 596 33.968 -2.137 7.881 1.00 0.00 H new ATOM 0 HE1 HIS A 596 37.384 0.227 8.834 1.00 0.00 H new ATOM 0 HE2 HIS A 596 35.035 -0.456 9.596 1.00 0.00 H new ATOM 995 N SER A 597 33.674 -4.634 4.074 1.00 0.00 N ATOM 996 CA SER A 597 33.098 -4.973 2.765 1.00 0.00 C ATOM 997 C SER A 597 33.368 -3.872 1.729 1.00 0.00 C ATOM 998 O SER A 597 33.776 -4.186 0.611 1.00 0.00 O ATOM 999 CB SER A 597 31.610 -5.305 2.889 1.00 0.00 C ATOM 1000 OG SER A 597 31.145 -5.911 1.697 1.00 0.00 O ATOM 0 H SER A 597 32.985 -4.493 4.813 1.00 0.00 H new ATOM 0 HA SER A 597 33.596 -5.871 2.400 1.00 0.00 H new ATOM 0 HB2 SER A 597 31.448 -5.975 3.734 1.00 0.00 H new ATOM 0 HB3 SER A 597 31.042 -4.396 3.089 1.00 0.00 H new ATOM 0 HG SER A 597 30.251 -5.570 1.484 1.00 0.00 H new ATOM 1006 N THR A 598 33.272 -2.589 2.106 1.00 0.00 N ATOM 1007 CA THR A 598 33.669 -1.445 1.259 1.00 0.00 C ATOM 1008 C THR A 598 35.152 -1.445 0.862 1.00 0.00 C ATOM 1009 O THR A 598 35.465 -1.260 -0.313 1.00 0.00 O ATOM 1010 CB THR A 598 33.330 -0.100 1.932 1.00 0.00 C ATOM 1011 OG1 THR A 598 33.780 -0.050 3.274 1.00 0.00 O ATOM 1012 CG2 THR A 598 31.831 0.174 1.939 1.00 0.00 C ATOM 0 H THR A 598 32.912 -2.309 3.018 1.00 0.00 H new ATOM 0 HA THR A 598 33.088 -1.565 0.345 1.00 0.00 H new ATOM 0 HB THR A 598 33.843 0.657 1.339 1.00 0.00 H new ATOM 0 HG1 THR A 598 33.693 0.865 3.614 1.00 0.00 H new ATOM 0 HG21 THR A 598 31.638 1.132 2.423 1.00 0.00 H new ATOM 0 HG22 THR A 598 31.462 0.204 0.914 1.00 0.00 H new ATOM 0 HG23 THR A 598 31.319 -0.618 2.486 1.00 0.00 H new ATOM 1020 N CYS A 599 36.067 -1.702 1.802 1.00 0.00 N ATOM 1021 CA CYS A 599 37.504 -1.782 1.541 1.00 0.00 C ATOM 1022 C CYS A 599 37.846 -2.921 0.562 1.00 0.00 C ATOM 1023 O CYS A 599 38.541 -2.709 -0.436 1.00 0.00 O ATOM 1024 CB CYS A 599 38.230 -1.932 2.885 1.00 0.00 C ATOM 1025 SG CYS A 599 38.116 -0.382 3.846 1.00 0.00 S ATOM 0 H CYS A 599 35.824 -1.862 2.780 1.00 0.00 H new ATOM 0 HA CYS A 599 37.840 -0.868 1.052 1.00 0.00 H new ATOM 0 HB2 CYS A 599 37.792 -2.753 3.453 1.00 0.00 H new ATOM 0 HB3 CYS A 599 39.276 -2.186 2.714 1.00 0.00 H new ATOM 1030 N TYR A 600 37.360 -4.131 0.848 1.00 0.00 N ATOM 1031 CA TYR A 600 37.553 -5.304 -0.006 1.00 0.00 C ATOM 1032 C TYR A 600 36.935 -5.108 -1.406 1.00 0.00 C ATOM 1033 O TYR A 600 37.573 -5.419 -2.412 1.00 0.00 O ATOM 1034 CB TYR A 600 36.981 -6.530 0.720 1.00 0.00 C ATOM 1035 CG TYR A 600 36.903 -7.769 -0.152 1.00 0.00 C ATOM 1036 CD1 TYR A 600 38.057 -8.550 -0.363 1.00 0.00 C ATOM 1037 CD2 TYR A 600 35.698 -8.101 -0.807 1.00 0.00 C ATOM 1038 CE1 TYR A 600 38.007 -9.663 -1.224 1.00 0.00 C ATOM 1039 CE2 TYR A 600 35.647 -9.219 -1.660 1.00 0.00 C ATOM 1040 CZ TYR A 600 36.800 -10.005 -1.874 1.00 0.00 C ATOM 1041 OH TYR A 600 36.736 -11.086 -2.697 1.00 0.00 O ATOM 0 H TYR A 600 36.816 -4.325 1.688 1.00 0.00 H new ATOM 0 HA TYR A 600 38.618 -5.457 -0.181 1.00 0.00 H new ATOM 0 HB2 TYR A 600 37.599 -6.747 1.591 1.00 0.00 H new ATOM 0 HB3 TYR A 600 35.983 -6.291 1.088 1.00 0.00 H new ATOM 0 HD1 TYR A 600 38.980 -8.295 0.136 1.00 0.00 H new ATOM 0 HD2 TYR A 600 34.816 -7.497 -0.654 1.00 0.00 H new ATOM 0 HE1 TYR A 600 38.894 -10.257 -1.388 1.00 0.00 H new ATOM 0 HE2 TYR A 600 34.721 -9.477 -2.153 1.00 0.00 H new ATOM 0 HH TYR A 600 35.828 -11.170 -3.056 1.00 0.00 H new ATOM 1051 N HIS A 601 35.734 -4.526 -1.495 1.00 0.00 N ATOM 1052 CA HIS A 601 35.050 -4.246 -2.768 1.00 0.00 C ATOM 1053 C HIS A 601 35.749 -3.163 -3.608 1.00 0.00 C ATOM 1054 O HIS A 601 35.804 -3.284 -4.828 1.00 0.00 O ATOM 1055 CB HIS A 601 33.590 -3.870 -2.481 1.00 0.00 C ATOM 1056 CG HIS A 601 32.728 -3.708 -3.707 1.00 0.00 C ATOM 1057 ND1 HIS A 601 32.058 -2.536 -4.076 1.00 0.00 N ATOM 1058 CD2 HIS A 601 32.403 -4.703 -4.583 1.00 0.00 C ATOM 1059 CE1 HIS A 601 31.344 -2.857 -5.170 1.00 0.00 C ATOM 1060 NE2 HIS A 601 31.535 -4.146 -5.496 1.00 0.00 N ATOM 0 H HIS A 601 35.201 -4.232 -0.677 1.00 0.00 H new ATOM 0 HA HIS A 601 35.089 -5.152 -3.372 1.00 0.00 H new ATOM 0 HB2 HIS A 601 33.150 -4.637 -1.843 1.00 0.00 H new ATOM 0 HB3 HIS A 601 33.574 -2.938 -1.916 1.00 0.00 H new ATOM 0 HD2 HIS A 601 32.756 -5.723 -4.564 1.00 0.00 H new ATOM 0 HE1 HIS A 601 30.706 -2.174 -5.711 1.00 0.00 H new ATOM 0 HE2 HIS A 601 31.109 -4.630 -6.286 1.00 0.00 H new ATOM 1068 N GLU A 602 36.341 -2.146 -2.973 1.00 0.00 N ATOM 1069 CA GLU A 602 37.185 -1.130 -3.628 1.00 0.00 C ATOM 1070 C GLU A 602 38.532 -1.708 -4.112 1.00 0.00 C ATOM 1071 O GLU A 602 39.041 -1.307 -5.160 1.00 0.00 O ATOM 1072 CB GLU A 602 37.400 0.034 -2.641 1.00 0.00 C ATOM 1073 CG GLU A 602 38.303 1.182 -3.131 1.00 0.00 C ATOM 1074 CD GLU A 602 37.848 1.856 -4.444 1.00 0.00 C ATOM 1075 OE1 GLU A 602 36.625 2.003 -4.683 1.00 0.00 O ATOM 1076 OE2 GLU A 602 38.721 2.305 -5.229 1.00 0.00 O ATOM 0 H GLU A 602 36.247 -1.999 -1.968 1.00 0.00 H new ATOM 0 HA GLU A 602 36.675 -0.772 -4.522 1.00 0.00 H new ATOM 0 HB2 GLU A 602 36.426 0.450 -2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 602 37.827 -0.370 -1.723 1.00 0.00 H new ATOM 0 HG2 GLU A 602 38.356 1.941 -2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 602 39.313 0.796 -3.269 1.00 0.00 H new ATOM 1083 N THR A 603 39.100 -2.673 -3.378 1.00 0.00 N ATOM 1084 CA THR A 603 40.313 -3.418 -3.782 1.00 0.00 C ATOM 1085 C THR A 603 40.033 -4.369 -4.960 1.00 0.00 C ATOM 1086 O THR A 603 40.868 -4.530 -5.855 1.00 0.00 O ATOM 1087 CB THR A 603 40.878 -4.197 -2.577 1.00 0.00 C ATOM 1088 OG1 THR A 603 41.221 -3.299 -1.540 1.00 0.00 O ATOM 1089 CG2 THR A 603 42.150 -4.989 -2.891 1.00 0.00 C ATOM 0 H THR A 603 38.730 -2.967 -2.474 1.00 0.00 H new ATOM 0 HA THR A 603 41.055 -2.695 -4.120 1.00 0.00 H new ATOM 0 HB THR A 603 40.088 -4.893 -2.294 1.00 0.00 H new ATOM 0 HG1 THR A 603 40.408 -3.010 -1.075 1.00 0.00 H new ATOM 0 HG21 THR A 603 42.485 -5.509 -1.994 1.00 0.00 H new ATOM 0 HG22 THR A 603 41.941 -5.716 -3.676 1.00 0.00 H new ATOM 0 HG23 THR A 603 42.930 -4.306 -3.227 1.00 0.00 H new ATOM 1097 N SER A 604 38.849 -4.983 -4.970 1.00 0.00 N ATOM 1098 CA SER A 604 38.352 -5.892 -6.015 1.00 0.00 C ATOM 1099 C SER A 604 37.953 -5.168 -7.316 1.00 0.00 C ATOM 1100 O SER A 604 37.858 -3.940 -7.372 1.00 0.00 O ATOM 1101 CB SER A 604 37.154 -6.699 -5.484 1.00 0.00 C ATOM 1102 OG SER A 604 37.520 -7.473 -4.354 1.00 0.00 O ATOM 0 H SER A 604 38.175 -4.857 -4.215 1.00 0.00 H new ATOM 0 HA SER A 604 39.179 -6.557 -6.265 1.00 0.00 H new ATOM 0 HB2 SER A 604 36.344 -6.020 -5.217 1.00 0.00 H new ATOM 0 HB3 SER A 604 36.775 -7.353 -6.269 1.00 0.00 H new ATOM 0 HG SER A 604 37.586 -6.892 -3.567 1.00 0.00 H new ATOM 1108 N GLN A 605 37.689 -5.946 -8.371 1.00 0.00 N ATOM 1109 CA GLN A 605 37.206 -5.479 -9.679 1.00 0.00 C ATOM 1110 C GLN A 605 36.077 -6.383 -10.218 1.00 0.00 C ATOM 1111 O GLN A 605 35.885 -7.512 -9.754 1.00 0.00 O ATOM 1112 CB GLN A 605 38.372 -5.411 -10.687 1.00 0.00 C ATOM 1113 CG GLN A 605 39.481 -4.420 -10.292 1.00 0.00 C ATOM 1114 CD GLN A 605 40.529 -4.196 -11.386 1.00 0.00 C ATOM 1115 OE1 GLN A 605 40.542 -4.810 -12.447 1.00 0.00 O ATOM 1116 NE2 GLN A 605 41.467 -3.297 -11.172 1.00 0.00 N ATOM 0 H GLN A 605 37.810 -6.958 -8.338 1.00 0.00 H new ATOM 0 HA GLN A 605 36.795 -4.478 -9.547 1.00 0.00 H new ATOM 0 HB2 GLN A 605 38.807 -6.405 -10.792 1.00 0.00 H new ATOM 0 HB3 GLN A 605 37.979 -5.130 -11.664 1.00 0.00 H new ATOM 0 HG2 GLN A 605 39.026 -3.463 -10.037 1.00 0.00 H new ATOM 0 HG3 GLN A 605 39.979 -4.786 -9.394 1.00 0.00 H new ATOM 0 HE21 GLN A 605 41.480 -2.772 -10.298 1.00 0.00 H new ATOM 0 HE22 GLN A 605 42.181 -3.126 -11.880 1.00 0.00 H new ATOM 1125 N ASN A 606 35.335 -5.890 -11.214 1.00 0.00 N ATOM 1126 CA ASN A 606 34.350 -6.669 -11.974 1.00 0.00 C ATOM 1127 C ASN A 606 35.025 -7.770 -12.838 1.00 0.00 C ATOM 1128 O ASN A 606 36.250 -7.793 -12.998 1.00 0.00 O ATOM 1129 CB ASN A 606 33.513 -5.673 -12.808 1.00 0.00 C ATOM 1130 CG ASN A 606 32.211 -6.245 -13.353 1.00 0.00 C ATOM 1131 OD1 ASN A 606 31.749 -7.313 -12.974 1.00 0.00 O ATOM 1132 ND2 ASN A 606 31.578 -5.554 -14.272 1.00 0.00 N ATOM 0 H ASN A 606 35.403 -4.920 -11.521 1.00 0.00 H new ATOM 0 HA ASN A 606 33.691 -7.214 -11.298 1.00 0.00 H new ATOM 0 HB2 ASN A 606 33.283 -4.805 -12.191 1.00 0.00 H new ATOM 0 HB3 ASN A 606 34.118 -5.320 -13.643 1.00 0.00 H new ATOM 0 HD21 ASN A 606 30.706 -5.908 -14.666 1.00 0.00 H new ATOM 0 HD22 ASN A 606 31.958 -4.663 -14.592 1.00 0.00 H new ATOM 1139 N SER A 607 34.230 -8.686 -13.402 1.00 0.00 N ATOM 1140 CA SER A 607 34.701 -9.830 -14.203 1.00 0.00 C ATOM 1141 C SER A 607 35.623 -9.416 -15.365 1.00 0.00 C ATOM 1142 O SER A 607 35.343 -8.454 -16.090 1.00 0.00 O ATOM 1143 CB SER A 607 33.502 -10.630 -14.724 1.00 0.00 C ATOM 1144 OG SER A 607 33.934 -11.796 -15.406 1.00 0.00 O ATOM 0 H SER A 607 33.214 -8.655 -13.314 1.00 0.00 H new ATOM 0 HA SER A 607 35.303 -10.456 -13.544 1.00 0.00 H new ATOM 0 HB2 SER A 607 32.855 -10.908 -13.892 1.00 0.00 H new ATOM 0 HB3 SER A 607 32.909 -10.009 -15.395 1.00 0.00 H new ATOM 0 HG SER A 607 33.154 -12.294 -15.729 1.00 0.00 H new ATOM 1150 N SER A 608 36.741 -10.136 -15.522 1.00 0.00 N ATOM 1151 CA SER A 608 37.843 -9.847 -16.461 1.00 0.00 C ATOM 1152 C SER A 608 38.597 -11.126 -16.861 1.00 0.00 C ATOM 1153 O SER A 608 39.062 -11.861 -15.957 1.00 0.00 O ATOM 1154 CB SER A 608 38.778 -8.807 -15.832 1.00 0.00 C ATOM 1155 OG SER A 608 39.784 -8.438 -16.763 1.00 0.00 O ATOM 1156 OXT SER A 608 38.677 -11.422 -18.076 1.00 0.00 O ATOM 0 H SER A 608 36.914 -10.978 -14.973 1.00 0.00 H new ATOM 0 HA SER A 608 37.429 -9.438 -17.382 1.00 0.00 H new ATOM 0 HB2 SER A 608 38.208 -7.928 -15.531 1.00 0.00 H new ATOM 0 HB3 SER A 608 39.236 -9.214 -14.931 1.00 0.00 H new ATOM 0 HG SER A 608 40.377 -7.772 -16.357 1.00 0.00 H new TER 1162 SER A 608 HETATM 1163 ZN ZN A 701 38.862 -0.860 6.091 1.00 0.00 ZN