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= 0.385 K(o=1.1,f=-3!) USER MOD Set 1.2: A 598 THR OG1 : rot 170:sc= 0.678 USER MOD Single : A 535 SER OG : rot 180:sc= 0 USER MOD Single : A 538 SER OG : rot 32:sc= 0.0368 USER MOD Single : A 541 SER OG : rot 180:sc= 0.258 USER MOD Single : A 542 ASN : amide:sc= -0.0085 K(o=-0.0085,f=-0.81) USER MOD Single : A 549 LYS NZ :NH3+ -150:sc= 1.12 (180deg=0.558) USER MOD Single : A 550 TYR OH : rot 180:sc= 0 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 SER OG : rot 180:sc= 0 USER MOD Single : A 558 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 560 MET CE :methyl 141:sc= -0.0011 (180deg=-0.761) USER MOD Single : A 563 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 570 THR OG1 : rot 180:sc= 0 USER MOD Single : A 572 THR OG1 : rot 180:sc= 0 USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 579 SER OG : rot -87:sc= 1.13 USER MOD Single : A 585 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 THR OG1 : rot 62:sc= 0.221 USER MOD Single : A 591 ASN : amide:sc= 0 X(o=0,f=-0.15) 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 180:sc= 0 USER MOD Single : A 600 TYR OH : rot 180:sc= 0 USER MOD Single : A 601 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 603 THR OG1 : rot 82:sc= 0.347 USER MOD Single : A 604 SER OG : rot 180:sc= 0 USER MOD Single : A 605 GLN : amide:sc= -0.326 X(o=-0.33,f=-0.2) USER MOD Single : A 606 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 607 SER OG : rot 180:sc= 0 USER MOD Single : A 608 SER OG : rot 45:sc= 0.00202 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 533 10.039 14.072 -5.735 1.00 0.00 N ATOM 2 CA GLY A 533 11.412 14.445 -6.144 1.00 0.00 C ATOM 3 C GLY A 533 12.402 13.301 -5.953 1.00 0.00 C ATOM 4 O GLY A 533 12.024 12.192 -5.571 1.00 0.00 O ATOM 0 HA2 GLY A 533 11.407 14.748 -7.191 1.00 0.00 H new ATOM 0 HA3 GLY A 533 11.740 15.308 -5.564 1.00 0.00 H new ATOM 10 N GLY A 534 13.687 13.560 -6.227 1.00 0.00 N ATOM 11 CA GLY A 534 14.791 12.589 -6.086 1.00 0.00 C ATOM 12 C GLY A 534 14.948 11.586 -7.243 1.00 0.00 C ATOM 13 O GLY A 534 15.801 10.698 -7.167 1.00 0.00 O ATOM 0 H GLY A 534 14.000 14.471 -6.561 1.00 0.00 H new ATOM 0 HA2 GLY A 534 15.725 13.141 -5.979 1.00 0.00 H new ATOM 0 HA3 GLY A 534 14.643 12.030 -5.162 1.00 0.00 H new ATOM 17 N SER A 535 14.153 11.718 -8.311 1.00 0.00 N ATOM 18 CA SER A 535 14.167 10.871 -9.521 1.00 0.00 C ATOM 19 C SER A 535 15.353 11.198 -10.452 1.00 0.00 C ATOM 20 O SER A 535 15.176 11.579 -11.611 1.00 0.00 O ATOM 21 CB SER A 535 12.825 10.986 -10.265 1.00 0.00 C ATOM 22 OG SER A 535 11.739 10.664 -9.408 1.00 0.00 O ATOM 0 H SER A 535 13.447 12.452 -8.363 1.00 0.00 H new ATOM 0 HA SER A 535 14.303 9.838 -9.200 1.00 0.00 H new ATOM 0 HB2 SER A 535 12.703 11.999 -10.648 1.00 0.00 H new ATOM 0 HB3 SER A 535 12.824 10.318 -11.126 1.00 0.00 H new ATOM 0 HG SER A 535 10.897 10.746 -9.902 1.00 0.00 H new ATOM 28 N GLU A 536 16.579 11.084 -9.936 1.00 0.00 N ATOM 29 CA GLU A 536 17.823 11.485 -10.610 1.00 0.00 C ATOM 30 C GLU A 536 18.994 10.530 -10.307 1.00 0.00 C ATOM 31 O GLU A 536 19.030 9.865 -9.266 1.00 0.00 O ATOM 32 CB GLU A 536 18.161 12.947 -10.251 1.00 0.00 C ATOM 33 CG GLU A 536 18.520 13.180 -8.772 1.00 0.00 C ATOM 34 CD GLU A 536 18.779 14.671 -8.461 1.00 0.00 C ATOM 35 OE1 GLU A 536 19.841 14.993 -7.875 1.00 0.00 O ATOM 36 OE2 GLU A 536 17.920 15.534 -8.766 1.00 0.00 O ATOM 0 H GLU A 536 16.742 10.697 -9.006 1.00 0.00 H new ATOM 0 HA GLU A 536 17.662 11.418 -11.686 1.00 0.00 H new ATOM 0 HB2 GLU A 536 18.997 13.275 -10.870 1.00 0.00 H new ATOM 0 HB3 GLU A 536 17.309 13.576 -10.507 1.00 0.00 H new ATOM 0 HG2 GLU A 536 17.709 12.815 -8.141 1.00 0.00 H new ATOM 0 HG3 GLU A 536 19.407 12.599 -8.519 1.00 0.00 H new ATOM 43 N PHE A 537 19.958 10.460 -11.230 1.00 0.00 N ATOM 44 CA PHE A 537 21.161 9.627 -11.111 1.00 0.00 C ATOM 45 C PHE A 537 22.206 10.216 -10.145 1.00 0.00 C ATOM 46 O PHE A 537 22.286 11.431 -9.942 1.00 0.00 O ATOM 47 CB PHE A 537 21.760 9.381 -12.503 1.00 0.00 C ATOM 48 CG PHE A 537 20.819 8.660 -13.456 1.00 0.00 C ATOM 49 CD1 PHE A 537 20.589 7.278 -13.305 1.00 0.00 C ATOM 50 CD2 PHE A 537 20.150 9.369 -14.473 1.00 0.00 C ATOM 51 CE1 PHE A 537 19.699 6.610 -14.165 1.00 0.00 C ATOM 52 CE2 PHE A 537 19.258 8.700 -15.331 1.00 0.00 C ATOM 53 CZ PHE A 537 19.033 7.321 -15.178 1.00 0.00 C ATOM 0 H PHE A 537 19.924 10.992 -12.100 1.00 0.00 H new ATOM 0 HA PHE A 537 20.860 8.674 -10.676 1.00 0.00 H new ATOM 0 HB2 PHE A 537 22.043 10.338 -12.941 1.00 0.00 H new ATOM 0 HB3 PHE A 537 22.674 8.796 -12.397 1.00 0.00 H new ATOM 0 HD1 PHE A 537 21.098 6.730 -12.526 1.00 0.00 H new ATOM 0 HD2 PHE A 537 20.322 10.428 -14.594 1.00 0.00 H new ATOM 0 HE1 PHE A 537 19.527 5.550 -14.047 1.00 0.00 H new ATOM 0 HE2 PHE A 537 18.745 9.247 -16.108 1.00 0.00 H new ATOM 0 HZ PHE A 537 18.349 6.808 -15.838 1.00 0.00 H new ATOM 63 N SER A 538 23.024 9.339 -9.555 1.00 0.00 N ATOM 64 CA SER A 538 24.076 9.659 -8.578 1.00 0.00 C ATOM 65 C SER A 538 25.131 8.535 -8.523 1.00 0.00 C ATOM 66 O SER A 538 25.053 7.558 -9.272 1.00 0.00 O ATOM 67 CB SER A 538 23.414 9.879 -7.204 1.00 0.00 C ATOM 68 OG SER A 538 24.319 10.420 -6.252 1.00 0.00 O ATOM 0 H SER A 538 22.970 8.340 -9.753 1.00 0.00 H new ATOM 0 HA SER A 538 24.598 10.569 -8.876 1.00 0.00 H new ATOM 0 HB2 SER A 538 22.563 10.551 -7.316 1.00 0.00 H new ATOM 0 HB3 SER A 538 23.025 8.930 -6.834 1.00 0.00 H new ATOM 0 HG SER A 538 24.967 10.997 -6.708 1.00 0.00 H new ATOM 74 N ASP A 539 26.098 8.628 -7.608 1.00 0.00 N ATOM 75 CA ASP A 539 27.124 7.602 -7.335 1.00 0.00 C ATOM 76 C ASP A 539 26.578 6.325 -6.648 1.00 0.00 C ATOM 77 O ASP A 539 27.346 5.416 -6.318 1.00 0.00 O ATOM 78 CB ASP A 539 28.268 8.225 -6.511 1.00 0.00 C ATOM 79 CG ASP A 539 28.981 9.415 -7.186 1.00 0.00 C ATOM 80 OD1 ASP A 539 29.065 9.475 -8.438 1.00 0.00 O ATOM 81 OD2 ASP A 539 29.507 10.289 -6.455 1.00 0.00 O ATOM 0 H ASP A 539 26.198 9.449 -7.011 1.00 0.00 H new ATOM 0 HA ASP A 539 27.496 7.266 -8.303 1.00 0.00 H new ATOM 0 HB2 ASP A 539 27.868 8.556 -5.553 1.00 0.00 H new ATOM 0 HB3 ASP A 539 29.006 7.451 -6.298 1.00 0.00 H new ATOM 86 N ARG A 540 25.256 6.242 -6.430 1.00 0.00 N ATOM 87 CA ARG A 540 24.519 5.127 -5.812 1.00 0.00 C ATOM 88 C ARG A 540 24.453 3.874 -6.711 1.00 0.00 C ATOM 89 O ARG A 540 23.383 3.476 -7.179 1.00 0.00 O ATOM 90 CB ARG A 540 23.138 5.637 -5.359 1.00 0.00 C ATOM 91 CG ARG A 540 22.544 4.707 -4.285 1.00 0.00 C ATOM 92 CD ARG A 540 21.079 4.354 -4.547 1.00 0.00 C ATOM 93 NE ARG A 540 20.949 3.459 -5.712 1.00 0.00 N ATOM 94 CZ ARG A 540 19.885 2.783 -6.100 1.00 0.00 C ATOM 95 NH1 ARG A 540 18.748 2.848 -5.467 1.00 0.00 N ATOM 96 NH2 ARG A 540 19.955 2.020 -7.152 1.00 0.00 N ATOM 0 H ARG A 540 24.632 7.002 -6.699 1.00 0.00 H new ATOM 0 HA ARG A 540 25.064 4.784 -4.933 1.00 0.00 H new ATOM 0 HB2 ARG A 540 23.230 6.648 -4.962 1.00 0.00 H new ATOM 0 HB3 ARG A 540 22.465 5.690 -6.215 1.00 0.00 H new ATOM 0 HG2 ARG A 540 23.131 3.790 -4.241 1.00 0.00 H new ATOM 0 HG3 ARG A 540 22.628 5.186 -3.310 1.00 0.00 H new ATOM 0 HD2 ARG A 540 20.654 3.873 -3.666 1.00 0.00 H new ATOM 0 HD3 ARG A 540 20.507 5.266 -4.719 1.00 0.00 H new ATOM 0 HE ARG A 540 21.784 3.349 -6.288 1.00 0.00 H new ATOM 0 HH11 ARG A 540 18.658 3.437 -4.639 1.00 0.00 H new ATOM 0 HH12 ARG A 540 17.948 2.309 -5.799 1.00 0.00 H new ATOM 0 HH21 ARG A 540 20.830 1.947 -7.672 1.00 0.00 H new ATOM 0 HH22 ARG A 540 19.135 1.495 -7.457 1.00 0.00 H new ATOM 110 N SER A 541 25.609 3.259 -6.953 1.00 0.00 N ATOM 111 CA SER A 541 25.772 1.953 -7.611 1.00 0.00 C ATOM 112 C SER A 541 25.365 0.801 -6.659 1.00 0.00 C ATOM 113 O SER A 541 24.479 0.967 -5.816 1.00 0.00 O ATOM 114 CB SER A 541 27.222 1.865 -8.119 1.00 0.00 C ATOM 115 OG SER A 541 27.415 0.734 -8.954 1.00 0.00 O ATOM 0 H SER A 541 26.502 3.672 -6.685 1.00 0.00 H new ATOM 0 HA SER A 541 25.106 1.852 -8.468 1.00 0.00 H new ATOM 0 HB2 SER A 541 27.471 2.772 -8.670 1.00 0.00 H new ATOM 0 HB3 SER A 541 27.903 1.811 -7.270 1.00 0.00 H new ATOM 0 HG SER A 541 28.345 0.709 -9.261 1.00 0.00 H new ATOM 121 N ASN A 542 26.024 -0.362 -6.725 1.00 0.00 N ATOM 122 CA ASN A 542 25.851 -1.511 -5.817 1.00 0.00 C ATOM 123 C ASN A 542 26.269 -1.264 -4.344 1.00 0.00 C ATOM 124 O ASN A 542 26.334 -2.208 -3.556 1.00 0.00 O ATOM 125 CB ASN A 542 26.559 -2.744 -6.417 1.00 0.00 C ATOM 126 CG ASN A 542 28.084 -2.696 -6.360 1.00 0.00 C ATOM 127 OD1 ASN A 542 28.715 -1.673 -6.130 1.00 0.00 O ATOM 128 ND2 ASN A 542 28.729 -3.822 -6.567 1.00 0.00 N ATOM 0 H ASN A 542 26.725 -0.540 -7.444 1.00 0.00 H new ATOM 0 HA ASN A 542 24.778 -1.688 -5.747 1.00 0.00 H new ATOM 0 HB2 ASN A 542 26.217 -3.634 -5.889 1.00 0.00 H new ATOM 0 HB3 ASN A 542 26.251 -2.852 -7.457 1.00 0.00 H new ATOM 0 HD21 ASN A 542 29.748 -3.839 -6.535 1.00 0.00 H new ATOM 0 HD22 ASN A 542 28.210 -4.679 -6.759 1.00 0.00 H new ATOM 135 N GLU A 543 26.520 -0.013 -3.952 1.00 0.00 N ATOM 136 CA GLU A 543 26.915 0.415 -2.602 1.00 0.00 C ATOM 137 C GLU A 543 25.980 -0.126 -1.510 1.00 0.00 C ATOM 138 O GLU A 543 26.451 -0.599 -0.478 1.00 0.00 O ATOM 139 CB GLU A 543 26.908 1.954 -2.538 1.00 0.00 C ATOM 140 CG GLU A 543 27.967 2.656 -3.408 1.00 0.00 C ATOM 141 CD GLU A 543 29.349 2.783 -2.722 1.00 0.00 C ATOM 142 OE1 GLU A 543 30.017 3.829 -2.907 1.00 0.00 O ATOM 143 OE2 GLU A 543 29.786 1.854 -2.002 1.00 0.00 O ATOM 0 H GLU A 543 26.450 0.772 -4.599 1.00 0.00 H new ATOM 0 HA GLU A 543 27.911 0.013 -2.415 1.00 0.00 H new ATOM 0 HB2 GLU A 543 25.922 2.309 -2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 543 27.054 2.258 -1.502 1.00 0.00 H new ATOM 0 HG2 GLU A 543 28.083 2.104 -4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 543 27.608 3.651 -3.670 1.00 0.00 H new ATOM 150 N LEU A 544 24.665 -0.123 -1.754 1.00 0.00 N ATOM 151 CA LEU A 544 23.651 -0.626 -0.817 1.00 0.00 C ATOM 152 C LEU A 544 23.829 -2.127 -0.532 1.00 0.00 C ATOM 153 O LEU A 544 23.584 -2.576 0.587 1.00 0.00 O ATOM 154 CB LEU A 544 22.241 -0.347 -1.388 1.00 0.00 C ATOM 155 CG LEU A 544 21.704 1.079 -1.153 1.00 0.00 C ATOM 156 CD1 LEU A 544 22.562 2.171 -1.792 1.00 0.00 C ATOM 157 CD2 LEU A 544 20.296 1.195 -1.745 1.00 0.00 C ATOM 0 H LEU A 544 24.267 0.235 -2.622 1.00 0.00 H new ATOM 0 HA LEU A 544 23.773 -0.103 0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 544 22.257 -0.539 -2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 544 21.542 -1.058 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 544 21.715 1.231 -0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 544 22.123 3.147 -1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 544 23.569 2.131 -1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 544 22.607 2.015 -2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 544 19.914 2.202 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 544 20.333 0.992 -2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 544 19.637 0.474 -1.261 1.00 0.00 H new ATOM 169 N GLU A 545 24.280 -2.907 -1.517 1.00 0.00 N ATOM 170 CA GLU A 545 24.494 -4.349 -1.374 1.00 0.00 C ATOM 171 C GLU A 545 25.845 -4.686 -0.726 1.00 0.00 C ATOM 172 O GLU A 545 25.908 -5.594 0.101 1.00 0.00 O ATOM 173 CB GLU A 545 24.328 -5.013 -2.752 1.00 0.00 C ATOM 174 CG GLU A 545 24.387 -6.548 -2.747 1.00 0.00 C ATOM 175 CD GLU A 545 23.285 -7.220 -1.896 1.00 0.00 C ATOM 176 OE1 GLU A 545 23.579 -8.242 -1.230 1.00 0.00 O ATOM 177 OE2 GLU A 545 22.117 -6.766 -1.916 1.00 0.00 O ATOM 0 H GLU A 545 24.509 -2.552 -2.445 1.00 0.00 H new ATOM 0 HA GLU A 545 23.745 -4.748 -0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 545 23.372 -4.703 -3.175 1.00 0.00 H new ATOM 0 HB3 GLU A 545 25.107 -4.637 -3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 545 24.308 -6.907 -3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 545 25.362 -6.862 -2.373 1.00 0.00 H new ATOM 184 N ILE A 546 26.902 -3.925 -1.025 1.00 0.00 N ATOM 185 CA ILE A 546 28.200 -4.044 -0.348 1.00 0.00 C ATOM 186 C ILE A 546 28.081 -3.661 1.139 1.00 0.00 C ATOM 187 O ILE A 546 28.629 -4.334 2.008 1.00 0.00 O ATOM 188 CB ILE A 546 29.266 -3.174 -1.060 1.00 0.00 C ATOM 189 CG1 ILE A 546 29.474 -3.530 -2.554 1.00 0.00 C ATOM 190 CG2 ILE A 546 30.611 -3.257 -0.327 1.00 0.00 C ATOM 191 CD1 ILE A 546 30.123 -4.892 -2.840 1.00 0.00 C ATOM 0 H ILE A 546 26.883 -3.205 -1.747 1.00 0.00 H new ATOM 0 HA ILE A 546 28.519 -5.085 -0.401 1.00 0.00 H new ATOM 0 HB ILE A 546 28.877 -2.156 -1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 546 28.505 -3.501 -3.052 1.00 0.00 H new ATOM 0 HG13 ILE A 546 30.090 -2.754 -3.009 1.00 0.00 H new ATOM 0 HG21 ILE A 546 31.346 -2.639 -0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 546 30.491 -2.900 0.696 1.00 0.00 H new ATOM 0 HG23 ILE A 546 30.954 -4.292 -0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 546 30.218 -5.031 -3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 546 31.111 -4.928 -2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 546 29.502 -5.685 -2.425 1.00 0.00 H new ATOM 203 N ARG A 547 27.329 -2.594 1.448 1.00 0.00 N ATOM 204 CA ARG A 547 27.202 -2.046 2.818 1.00 0.00 C ATOM 205 C ARG A 547 26.120 -2.736 3.650 1.00 0.00 C ATOM 206 O ARG A 547 26.186 -2.721 4.878 1.00 0.00 O ATOM 207 CB ARG A 547 26.988 -0.525 2.747 1.00 0.00 C ATOM 208 CG ARG A 547 28.237 0.193 2.194 1.00 0.00 C ATOM 209 CD ARG A 547 28.022 1.700 2.009 1.00 0.00 C ATOM 210 NE ARG A 547 27.936 2.414 3.299 1.00 0.00 N ATOM 211 CZ ARG A 547 27.910 3.724 3.472 1.00 0.00 C ATOM 212 NH1 ARG A 547 27.923 4.556 2.468 1.00 0.00 N ATOM 213 NH2 ARG A 547 27.860 4.228 4.672 1.00 0.00 N ATOM 0 H ARG A 547 26.786 -2.080 0.754 1.00 0.00 H new ATOM 0 HA ARG A 547 28.135 -2.252 3.342 1.00 0.00 H new ATOM 0 HB2 ARG A 547 26.129 -0.306 2.112 1.00 0.00 H new ATOM 0 HB3 ARG A 547 26.756 -0.142 3.741 1.00 0.00 H new ATOM 0 HG2 ARG A 547 29.074 0.031 2.873 1.00 0.00 H new ATOM 0 HG3 ARG A 547 28.512 -0.251 1.237 1.00 0.00 H new ATOM 0 HD2 ARG A 547 28.842 2.113 1.421 1.00 0.00 H new ATOM 0 HD3 ARG A 547 27.107 1.868 1.441 1.00 0.00 H new ATOM 0 HE ARG A 547 27.892 1.839 4.140 1.00 0.00 H new ATOM 0 HH11 ARG A 547 27.954 4.201 1.512 1.00 0.00 H new ATOM 0 HH12 ARG A 547 27.902 5.561 2.639 1.00 0.00 H new ATOM 0 HH21 ARG A 547 27.841 3.611 5.484 1.00 0.00 H new ATOM 0 HH22 ARG A 547 27.840 5.240 4.800 1.00 0.00 H new ATOM 227 N GLY A 548 25.168 -3.396 2.991 1.00 0.00 N ATOM 228 CA GLY A 548 24.152 -4.258 3.602 1.00 0.00 C ATOM 229 C GLY A 548 24.687 -5.606 4.120 1.00 0.00 C ATOM 230 O GLY A 548 23.972 -6.296 4.847 1.00 0.00 O ATOM 0 H GLY A 548 25.078 -3.344 1.976 1.00 0.00 H new ATOM 0 HA2 GLY A 548 23.690 -3.722 4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 548 23.368 -4.450 2.869 1.00 0.00 H new ATOM 234 N LYS A 549 25.930 -5.984 3.790 1.00 0.00 N ATOM 235 CA LYS A 549 26.604 -7.179 4.338 1.00 0.00 C ATOM 236 C LYS A 549 26.878 -7.038 5.840 1.00 0.00 C ATOM 237 O LYS A 549 27.308 -5.984 6.312 1.00 0.00 O ATOM 238 CB LYS A 549 27.933 -7.438 3.601 1.00 0.00 C ATOM 239 CG LYS A 549 27.839 -7.652 2.082 1.00 0.00 C ATOM 240 CD LYS A 549 26.769 -8.653 1.635 1.00 0.00 C ATOM 241 CE LYS A 549 26.915 -8.909 0.132 1.00 0.00 C ATOM 242 NZ LYS A 549 25.833 -9.781 -0.392 1.00 0.00 N ATOM 0 H LYS A 549 26.506 -5.465 3.127 1.00 0.00 H new ATOM 0 HA LYS A 549 25.931 -8.023 4.188 1.00 0.00 H new ATOM 0 HB2 LYS A 549 28.597 -6.594 3.787 1.00 0.00 H new ATOM 0 HB3 LYS A 549 28.403 -8.317 4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 549 27.638 -6.692 1.607 1.00 0.00 H new ATOM 0 HG3 LYS A 549 28.808 -7.992 1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 549 26.875 -9.587 2.187 1.00 0.00 H new ATOM 0 HD3 LYS A 549 25.775 -8.263 1.855 1.00 0.00 H new ATOM 0 HE2 LYS A 549 26.904 -7.958 -0.400 1.00 0.00 H new ATOM 0 HE3 LYS A 549 27.882 -9.373 -0.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 549 26.191 -10.332 -1.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 549 25.516 -10.429 0.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 549 25.033 -9.193 -0.703 1.00 0.00 H new ATOM 256 N TYR A 550 26.688 -8.128 6.584 1.00 0.00 N ATOM 257 CA TYR A 550 27.101 -8.253 7.985 1.00 0.00 C ATOM 258 C TYR A 550 27.354 -9.715 8.374 1.00 0.00 C ATOM 259 O TYR A 550 26.929 -10.650 7.683 1.00 0.00 O ATOM 260 CB TYR A 550 26.061 -7.620 8.937 1.00 0.00 C ATOM 261 CG TYR A 550 24.660 -8.201 8.876 1.00 0.00 C ATOM 262 CD1 TYR A 550 23.685 -7.591 8.065 1.00 0.00 C ATOM 263 CD2 TYR A 550 24.326 -9.341 9.640 1.00 0.00 C ATOM 264 CE1 TYR A 550 22.382 -8.113 8.005 1.00 0.00 C ATOM 265 CE2 TYR A 550 23.021 -9.866 9.587 1.00 0.00 C ATOM 266 CZ TYR A 550 22.049 -9.257 8.761 1.00 0.00 C ATOM 267 OH TYR A 550 20.791 -9.779 8.698 1.00 0.00 O ATOM 0 H TYR A 550 26.233 -8.967 6.223 1.00 0.00 H new ATOM 0 HA TYR A 550 28.040 -7.708 8.087 1.00 0.00 H new ATOM 0 HB2 TYR A 550 26.428 -7.716 9.959 1.00 0.00 H new ATOM 0 HB3 TYR A 550 26.000 -6.554 8.719 1.00 0.00 H new ATOM 0 HD1 TYR A 550 23.940 -6.716 7.485 1.00 0.00 H new ATOM 0 HD2 TYR A 550 25.072 -9.810 10.265 1.00 0.00 H new ATOM 0 HE1 TYR A 550 21.637 -7.640 7.382 1.00 0.00 H new ATOM 0 HE2 TYR A 550 22.763 -10.733 10.177 1.00 0.00 H new ATOM 0 HH TYR A 550 20.734 -10.566 9.280 1.00 0.00 H new ATOM 277 N VAL A 551 28.026 -9.895 9.512 1.00 0.00 N ATOM 278 CA VAL A 551 28.301 -11.193 10.147 1.00 0.00 C ATOM 279 C VAL A 551 28.007 -11.107 11.650 1.00 0.00 C ATOM 280 O VAL A 551 28.338 -10.116 12.289 1.00 0.00 O ATOM 281 CB VAL A 551 29.744 -11.676 9.867 1.00 0.00 C ATOM 282 CG1 VAL A 551 29.819 -12.385 8.508 1.00 0.00 C ATOM 283 CG2 VAL A 551 30.814 -10.578 9.855 1.00 0.00 C ATOM 0 H VAL A 551 28.411 -9.112 10.041 1.00 0.00 H new ATOM 0 HA VAL A 551 27.640 -11.941 9.709 1.00 0.00 H new ATOM 0 HB VAL A 551 29.962 -12.341 10.703 1.00 0.00 H new ATOM 0 HG11 VAL A 551 30.841 -12.718 8.327 1.00 0.00 H new ATOM 0 HG12 VAL A 551 29.151 -13.247 8.510 1.00 0.00 H new ATOM 0 HG13 VAL A 551 29.518 -11.694 7.720 1.00 0.00 H new ATOM 0 HG21 VAL A 551 31.788 -11.022 9.650 1.00 0.00 H new ATOM 0 HG22 VAL A 551 30.578 -9.848 9.081 1.00 0.00 H new ATOM 0 HG23 VAL A 551 30.838 -10.083 10.826 1.00 0.00 H new ATOM 293 N VAL A 552 27.327 -12.112 12.213 1.00 0.00 N ATOM 294 CA VAL A 552 26.924 -12.136 13.638 1.00 0.00 C ATOM 295 C VAL A 552 28.153 -12.263 14.548 1.00 0.00 C ATOM 296 O VAL A 552 29.009 -13.120 14.316 1.00 0.00 O ATOM 297 CB VAL A 552 25.903 -13.264 13.907 1.00 0.00 C ATOM 298 CG1 VAL A 552 25.633 -13.527 15.394 1.00 0.00 C ATOM 299 CG2 VAL A 552 24.551 -12.945 13.250 1.00 0.00 C ATOM 0 H VAL A 552 27.035 -12.941 11.695 1.00 0.00 H new ATOM 0 HA VAL A 552 26.435 -11.190 13.870 1.00 0.00 H new ATOM 0 HB VAL A 552 26.362 -14.155 13.479 1.00 0.00 H new ATOM 0 HG11 VAL A 552 24.906 -14.333 15.495 1.00 0.00 H new ATOM 0 HG12 VAL A 552 26.562 -13.813 15.887 1.00 0.00 H new ATOM 0 HG13 VAL A 552 25.239 -12.623 15.858 1.00 0.00 H new ATOM 0 HG21 VAL A 552 23.848 -13.753 13.453 1.00 0.00 H new ATOM 0 HG22 VAL A 552 24.159 -12.013 13.657 1.00 0.00 H new ATOM 0 HG23 VAL A 552 24.685 -12.842 12.173 1.00 0.00 H new ATOM 309 N VAL A 553 28.229 -11.439 15.597 1.00 0.00 N ATOM 310 CA VAL A 553 29.268 -11.518 16.634 1.00 0.00 C ATOM 311 C VAL A 553 28.858 -12.544 17.708 1.00 0.00 C ATOM 312 O VAL A 553 27.847 -12.320 18.379 1.00 0.00 O ATOM 313 CB VAL A 553 29.563 -10.154 17.301 1.00 0.00 C ATOM 314 CG1 VAL A 553 30.883 -10.304 18.073 1.00 0.00 C ATOM 315 CG2 VAL A 553 29.745 -9.004 16.312 1.00 0.00 C ATOM 0 H VAL A 553 27.560 -10.685 15.754 1.00 0.00 H new ATOM 0 HA VAL A 553 30.186 -11.834 16.138 1.00 0.00 H new ATOM 0 HB VAL A 553 28.706 -9.907 17.928 1.00 0.00 H new ATOM 0 HG11 VAL A 553 31.129 -9.360 18.560 1.00 0.00 H new ATOM 0 HG12 VAL A 553 30.777 -11.085 18.826 1.00 0.00 H new ATOM 0 HG13 VAL A 553 31.681 -10.573 17.381 1.00 0.00 H new ATOM 0 HG21 VAL A 553 29.948 -8.083 16.858 1.00 0.00 H new ATOM 0 HG22 VAL A 553 30.581 -9.224 15.648 1.00 0.00 H new ATOM 0 HG23 VAL A 553 28.836 -8.883 15.723 1.00 0.00 H new ATOM 325 N PRO A 554 29.597 -13.655 17.893 1.00 0.00 N ATOM 326 CA PRO A 554 29.298 -14.634 18.941 1.00 0.00 C ATOM 327 C PRO A 554 29.742 -14.150 20.330 1.00 0.00 C ATOM 328 O PRO A 554 30.586 -13.261 20.467 1.00 0.00 O ATOM 329 CB PRO A 554 30.052 -15.891 18.503 1.00 0.00 C ATOM 330 CG PRO A 554 31.299 -15.323 17.828 1.00 0.00 C ATOM 331 CD PRO A 554 30.773 -14.066 17.133 1.00 0.00 C ATOM 0 HA PRO A 554 28.227 -14.809 19.047 1.00 0.00 H new ATOM 0 HB2 PRO A 554 30.306 -16.526 19.352 1.00 0.00 H new ATOM 0 HB3 PRO A 554 29.462 -16.498 17.816 1.00 0.00 H new ATOM 0 HG2 PRO A 554 32.078 -15.087 18.553 1.00 0.00 H new ATOM 0 HG3 PRO A 554 31.729 -16.028 17.116 1.00 0.00 H new ATOM 0 HD2 PRO A 554 31.527 -13.279 17.124 1.00 0.00 H new ATOM 0 HD3 PRO A 554 30.515 -14.272 16.094 1.00 0.00 H new ATOM 339 N GLU A 555 29.225 -14.785 21.386 1.00 0.00 N ATOM 340 CA GLU A 555 29.676 -14.525 22.766 1.00 0.00 C ATOM 341 C GLU A 555 31.168 -14.879 22.980 1.00 0.00 C ATOM 342 O GLU A 555 31.856 -14.245 23.785 1.00 0.00 O ATOM 343 CB GLU A 555 28.808 -15.325 23.747 1.00 0.00 C ATOM 344 CG GLU A 555 27.310 -14.949 23.748 1.00 0.00 C ATOM 345 CD GLU A 555 26.957 -13.616 24.461 1.00 0.00 C ATOM 346 OE1 GLU A 555 27.861 -12.847 24.874 1.00 0.00 O ATOM 347 OE2 GLU A 555 25.741 -13.342 24.625 1.00 0.00 O ATOM 0 H GLU A 555 28.489 -15.488 21.316 1.00 0.00 H new ATOM 0 HA GLU A 555 29.569 -13.456 22.949 1.00 0.00 H new ATOM 0 HB2 GLU A 555 28.901 -16.385 23.510 1.00 0.00 H new ATOM 0 HB3 GLU A 555 29.203 -15.187 24.754 1.00 0.00 H new ATOM 0 HG2 GLU A 555 26.967 -14.890 22.715 1.00 0.00 H new ATOM 0 HG3 GLU A 555 26.751 -15.755 24.224 1.00 0.00 H new ATOM 354 N THR A 556 31.699 -15.846 22.223 1.00 0.00 N ATOM 355 CA THR A 556 33.119 -16.247 22.234 1.00 0.00 C ATOM 356 C THR A 556 34.060 -15.168 21.677 1.00 0.00 C ATOM 357 O THR A 556 35.253 -15.200 21.973 1.00 0.00 O ATOM 358 CB THR A 556 33.321 -17.550 21.441 1.00 0.00 C ATOM 359 OG1 THR A 556 32.868 -17.399 20.115 1.00 0.00 O ATOM 360 CG2 THR A 556 32.583 -18.742 22.048 1.00 0.00 C ATOM 0 H THR A 556 31.140 -16.390 21.565 1.00 0.00 H new ATOM 0 HA THR A 556 33.378 -16.398 23.282 1.00 0.00 H new ATOM 0 HB THR A 556 34.392 -17.749 21.473 1.00 0.00 H new ATOM 0 HG1 THR A 556 33.006 -18.236 19.625 1.00 0.00 H new ATOM 0 HG21 THR A 556 32.766 -19.630 21.443 1.00 0.00 H new ATOM 0 HG22 THR A 556 32.943 -18.914 23.062 1.00 0.00 H new ATOM 0 HG23 THR A 556 31.513 -18.534 22.073 1.00 0.00 H new ATOM 368 N SER A 557 33.536 -14.187 20.926 1.00 0.00 N ATOM 369 CA SER A 557 34.267 -12.977 20.509 1.00 0.00 C ATOM 370 C SER A 557 34.340 -11.876 21.586 1.00 0.00 C ATOM 371 O SER A 557 34.955 -10.838 21.345 1.00 0.00 O ATOM 372 CB SER A 557 33.699 -12.447 19.186 1.00 0.00 C ATOM 373 OG SER A 557 34.155 -13.263 18.117 1.00 0.00 O ATOM 0 H SER A 557 32.575 -14.211 20.585 1.00 0.00 H new ATOM 0 HA SER A 557 35.303 -13.279 20.358 1.00 0.00 H new ATOM 0 HB2 SER A 557 32.610 -12.447 19.219 1.00 0.00 H new ATOM 0 HB3 SER A 557 34.013 -11.415 19.030 1.00 0.00 H new ATOM 0 HG SER A 557 33.792 -12.927 17.271 1.00 0.00 H new ATOM 379 N GLN A 558 33.741 -12.100 22.768 1.00 0.00 N ATOM 380 CA GLN A 558 33.846 -11.316 24.019 1.00 0.00 C ATOM 381 C GLN A 558 33.741 -9.785 23.885 1.00 0.00 C ATOM 382 O GLN A 558 32.657 -9.226 24.058 1.00 0.00 O ATOM 383 CB GLN A 558 35.091 -11.755 24.817 1.00 0.00 C ATOM 384 CG GLN A 558 34.986 -13.212 25.297 1.00 0.00 C ATOM 385 CD GLN A 558 36.159 -13.646 26.179 1.00 0.00 C ATOM 386 OE1 GLN A 558 37.199 -13.006 26.265 1.00 0.00 O ATOM 387 NE2 GLN A 558 36.037 -14.752 26.886 1.00 0.00 N ATOM 0 H GLN A 558 33.119 -12.899 22.887 1.00 0.00 H new ATOM 0 HA GLN A 558 32.943 -11.559 24.580 1.00 0.00 H new ATOM 0 HB2 GLN A 558 35.979 -11.642 24.194 1.00 0.00 H new ATOM 0 HB3 GLN A 558 35.220 -11.099 25.678 1.00 0.00 H new ATOM 0 HG2 GLN A 558 34.057 -13.338 25.853 1.00 0.00 H new ATOM 0 HG3 GLN A 558 34.930 -13.870 24.430 1.00 0.00 H new ATOM 0 HE21 GLN A 558 35.179 -15.301 26.830 1.00 0.00 H new ATOM 0 HE22 GLN A 558 36.800 -15.059 27.489 1.00 0.00 H new ATOM 396 N ASP A 559 34.842 -9.099 23.578 1.00 0.00 N ATOM 397 CA ASP A 559 34.914 -7.639 23.386 1.00 0.00 C ATOM 398 C ASP A 559 34.226 -7.142 22.093 1.00 0.00 C ATOM 399 O ASP A 559 34.061 -5.932 21.919 1.00 0.00 O ATOM 400 CB ASP A 559 36.387 -7.182 23.413 1.00 0.00 C ATOM 401 CG ASP A 559 37.137 -7.489 24.719 1.00 0.00 C ATOM 402 OD1 ASP A 559 38.374 -7.685 24.660 1.00 0.00 O ATOM 403 OD2 ASP A 559 36.534 -7.495 25.825 1.00 0.00 O ATOM 0 H ASP A 559 35.745 -9.556 23.450 1.00 0.00 H new ATOM 0 HA ASP A 559 34.361 -7.192 24.212 1.00 0.00 H new ATOM 0 HB2 ASP A 559 36.915 -7.659 22.587 1.00 0.00 H new ATOM 0 HB3 ASP A 559 36.422 -6.107 23.235 1.00 0.00 H new ATOM 408 N MET A 560 33.815 -8.053 21.198 1.00 0.00 N ATOM 409 CA MET A 560 33.110 -7.771 19.940 1.00 0.00 C ATOM 410 C MET A 560 33.854 -6.841 18.973 1.00 0.00 C ATOM 411 O MET A 560 33.225 -6.111 18.211 1.00 0.00 O ATOM 412 CB MET A 560 31.663 -7.310 20.210 1.00 0.00 C ATOM 413 CG MET A 560 30.877 -8.331 21.036 1.00 0.00 C ATOM 414 SD MET A 560 29.079 -8.124 20.888 1.00 0.00 S ATOM 415 CE MET A 560 28.539 -9.829 21.155 1.00 0.00 C ATOM 0 H MET A 560 33.972 -9.051 21.338 1.00 0.00 H new ATOM 0 HA MET A 560 33.075 -8.721 19.406 1.00 0.00 H new ATOM 0 HB2 MET A 560 31.679 -6.355 20.735 1.00 0.00 H new ATOM 0 HB3 MET A 560 31.153 -7.143 19.261 1.00 0.00 H new ATOM 0 HG2 MET A 560 31.150 -9.337 20.716 1.00 0.00 H new ATOM 0 HG3 MET A 560 31.163 -8.241 22.084 1.00 0.00 H new ATOM 0 HE1 MET A 560 27.630 -9.833 21.757 1.00 0.00 H new ATOM 0 HE2 MET A 560 28.339 -10.302 20.194 1.00 0.00 H new ATOM 0 HE3 MET A 560 29.321 -10.381 21.675 1.00 0.00 H new ATOM 425 N ALA A 561 35.188 -6.872 18.976 1.00 0.00 N ATOM 426 CA ALA A 561 36.029 -6.005 18.150 1.00 0.00 C ATOM 427 C ALA A 561 36.983 -6.793 17.229 1.00 0.00 C ATOM 428 O ALA A 561 37.545 -7.816 17.629 1.00 0.00 O ATOM 429 CB ALA A 561 36.755 -5.010 19.060 1.00 0.00 C ATOM 0 H ALA A 561 35.723 -7.512 19.563 1.00 0.00 H new ATOM 0 HA ALA A 561 35.394 -5.448 17.461 1.00 0.00 H new ATOM 0 HB1 ALA A 561 37.386 -4.358 18.456 1.00 0.00 H new ATOM 0 HB2 ALA A 561 36.023 -4.409 19.599 1.00 0.00 H new ATOM 0 HB3 ALA A 561 37.374 -5.554 19.773 1.00 0.00 H new ATOM 435 N PHE A 562 37.182 -6.298 16.000 1.00 0.00 N ATOM 436 CA PHE A 562 38.060 -6.900 14.977 1.00 0.00 C ATOM 437 C PHE A 562 38.662 -5.828 14.051 1.00 0.00 C ATOM 438 O PHE A 562 38.121 -4.729 13.948 1.00 0.00 O ATOM 439 CB PHE A 562 37.285 -7.957 14.171 1.00 0.00 C ATOM 440 CG PHE A 562 37.953 -9.321 14.160 1.00 0.00 C ATOM 441 CD1 PHE A 562 38.939 -9.623 13.199 1.00 0.00 C ATOM 442 CD2 PHE A 562 37.609 -10.286 15.127 1.00 0.00 C ATOM 443 CE1 PHE A 562 39.561 -10.887 13.191 1.00 0.00 C ATOM 444 CE2 PHE A 562 38.238 -11.544 15.125 1.00 0.00 C ATOM 445 CZ PHE A 562 39.210 -11.851 14.155 1.00 0.00 C ATOM 0 H PHE A 562 36.726 -5.445 15.677 1.00 0.00 H new ATOM 0 HA PHE A 562 38.891 -7.390 15.485 1.00 0.00 H new ATOM 0 HB2 PHE A 562 36.282 -8.056 14.587 1.00 0.00 H new ATOM 0 HB3 PHE A 562 37.172 -7.608 13.144 1.00 0.00 H new ATOM 0 HD1 PHE A 562 39.219 -8.882 12.465 1.00 0.00 H new ATOM 0 HD2 PHE A 562 36.860 -10.059 15.872 1.00 0.00 H new ATOM 0 HE1 PHE A 562 40.307 -11.117 12.445 1.00 0.00 H new ATOM 0 HE2 PHE A 562 37.974 -12.278 15.872 1.00 0.00 H new ATOM 0 HZ PHE A 562 39.684 -12.821 14.150 1.00 0.00 H new ATOM 455 N LYS A 563 39.787 -6.119 13.388 1.00 0.00 N ATOM 456 CA LYS A 563 40.593 -5.142 12.623 1.00 0.00 C ATOM 457 C LYS A 563 40.429 -5.246 11.101 1.00 0.00 C ATOM 458 O LYS A 563 40.347 -6.353 10.561 1.00 0.00 O ATOM 459 CB LYS A 563 42.070 -5.285 13.040 1.00 0.00 C ATOM 460 CG LYS A 563 42.989 -4.201 12.444 1.00 0.00 C ATOM 461 CD LYS A 563 44.415 -4.242 13.010 1.00 0.00 C ATOM 462 CE LYS A 563 45.155 -5.541 12.657 1.00 0.00 C ATOM 463 NZ LYS A 563 46.534 -5.552 13.213 1.00 0.00 N ATOM 0 H LYS A 563 40.177 -7.061 13.364 1.00 0.00 H new ATOM 0 HA LYS A 563 40.222 -4.148 12.871 1.00 0.00 H new ATOM 0 HB2 LYS A 563 42.137 -5.248 14.127 1.00 0.00 H new ATOM 0 HB3 LYS A 563 42.432 -6.266 12.732 1.00 0.00 H new ATOM 0 HG2 LYS A 563 43.031 -4.323 11.362 1.00 0.00 H new ATOM 0 HG3 LYS A 563 42.556 -3.220 12.637 1.00 0.00 H new ATOM 0 HD2 LYS A 563 44.979 -3.392 12.626 1.00 0.00 H new ATOM 0 HD3 LYS A 563 44.375 -4.135 14.094 1.00 0.00 H new ATOM 0 HE2 LYS A 563 44.599 -6.394 13.045 1.00 0.00 H new ATOM 0 HE3 LYS A 563 45.198 -5.654 11.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 47.005 -6.443 12.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 47.072 -4.751 12.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 46.491 -5.469 14.249 1.00 0.00 H new ATOM 477 N CYS A 564 40.479 -4.097 10.429 1.00 0.00 N ATOM 478 CA CYS A 564 40.617 -3.933 8.985 1.00 0.00 C ATOM 479 C CYS A 564 42.086 -3.591 8.667 1.00 0.00 C ATOM 480 O CYS A 564 42.498 -2.463 8.960 1.00 0.00 O ATOM 481 CB CYS A 564 39.729 -2.782 8.504 1.00 0.00 C ATOM 482 SG CYS A 564 39.584 -2.882 6.685 1.00 0.00 S ATOM 0 H CYS A 564 40.420 -3.200 10.910 1.00 0.00 H new ATOM 0 HA CYS A 564 40.319 -4.854 8.484 1.00 0.00 H new ATOM 0 HB2 CYS A 564 38.744 -2.845 8.966 1.00 0.00 H new ATOM 0 HB3 CYS A 564 40.158 -1.824 8.798 1.00 0.00 H new ATOM 487 N PRO A 565 42.891 -4.501 8.092 1.00 0.00 N ATOM 488 CA PRO A 565 44.279 -4.204 7.723 1.00 0.00 C ATOM 489 C PRO A 565 44.403 -3.225 6.533 1.00 0.00 C ATOM 490 O PRO A 565 45.479 -2.657 6.332 1.00 0.00 O ATOM 491 CB PRO A 565 44.893 -5.577 7.416 1.00 0.00 C ATOM 492 CG PRO A 565 43.706 -6.381 6.895 1.00 0.00 C ATOM 493 CD PRO A 565 42.556 -5.877 7.765 1.00 0.00 C ATOM 0 HA PRO A 565 44.801 -3.685 8.527 1.00 0.00 H new ATOM 0 HB2 PRO A 565 45.688 -5.506 6.674 1.00 0.00 H new ATOM 0 HB3 PRO A 565 45.328 -6.032 8.306 1.00 0.00 H new ATOM 0 HG2 PRO A 565 43.525 -6.196 5.836 1.00 0.00 H new ATOM 0 HG3 PRO A 565 43.861 -7.454 7.010 1.00 0.00 H new ATOM 0 HD2 PRO A 565 41.607 -5.934 7.232 1.00 0.00 H new ATOM 0 HD3 PRO A 565 42.452 -6.481 8.667 1.00 0.00 H new ATOM 501 N ILE A 566 43.339 -3.013 5.745 1.00 0.00 N ATOM 502 CA ILE A 566 43.344 -2.119 4.568 1.00 0.00 C ATOM 503 C ILE A 566 43.371 -0.642 4.994 1.00 0.00 C ATOM 504 O ILE A 566 44.300 0.082 4.625 1.00 0.00 O ATOM 505 CB ILE A 566 42.146 -2.421 3.640 1.00 0.00 C ATOM 506 CG1 ILE A 566 42.288 -3.834 3.020 1.00 0.00 C ATOM 507 CG2 ILE A 566 42.021 -1.368 2.517 1.00 0.00 C ATOM 508 CD1 ILE A 566 41.008 -4.377 2.370 1.00 0.00 C ATOM 0 H ILE A 566 42.437 -3.461 5.906 1.00 0.00 H new ATOM 0 HA ILE A 566 44.255 -2.311 4.002 1.00 0.00 H new ATOM 0 HB ILE A 566 41.241 -2.381 4.246 1.00 0.00 H new ATOM 0 HG12 ILE A 566 43.079 -3.810 2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 566 42.607 -4.528 3.798 1.00 0.00 H new ATOM 0 HG21 ILE A 566 41.168 -1.611 1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 566 41.876 -0.382 2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 566 42.931 -1.367 1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 566 41.200 -5.370 1.963 1.00 0.00 H new ATOM 0 HD12 ILE A 566 40.218 -4.438 3.118 1.00 0.00 H new ATOM 0 HD13 ILE A 566 40.696 -3.709 1.567 1.00 0.00 H new ATOM 520 N CYS A 567 42.383 -0.198 5.782 1.00 0.00 N ATOM 521 CA CYS A 567 42.280 1.179 6.272 1.00 0.00 C ATOM 522 C CYS A 567 42.818 1.368 7.715 1.00 0.00 C ATOM 523 O CYS A 567 42.845 2.488 8.230 1.00 0.00 O ATOM 524 CB CYS A 567 40.844 1.692 6.061 1.00 0.00 C ATOM 525 SG CYS A 567 39.652 0.973 7.226 1.00 0.00 S ATOM 0 H CYS A 567 41.621 -0.797 6.101 1.00 0.00 H new ATOM 0 HA CYS A 567 42.947 1.806 5.679 1.00 0.00 H new ATOM 0 HB2 CYS A 567 40.834 2.777 6.163 1.00 0.00 H new ATOM 0 HB3 CYS A 567 40.530 1.465 5.042 1.00 0.00 H new ATOM 530 N LYS A 568 43.266 0.276 8.349 1.00 0.00 N ATOM 531 CA LYS A 568 43.772 0.211 9.724 1.00 0.00 C ATOM 532 C LYS A 568 42.730 0.657 10.761 1.00 0.00 C ATOM 533 O LYS A 568 43.036 1.446 11.662 1.00 0.00 O ATOM 534 CB LYS A 568 45.145 0.902 9.818 1.00 0.00 C ATOM 535 CG LYS A 568 45.984 0.223 10.908 1.00 0.00 C ATOM 536 CD LYS A 568 47.223 1.058 11.253 1.00 0.00 C ATOM 537 CE LYS A 568 48.034 0.357 12.348 1.00 0.00 C ATOM 538 NZ LYS A 568 49.243 1.141 12.710 1.00 0.00 N ATOM 0 H LYS A 568 43.286 -0.635 7.890 1.00 0.00 H new ATOM 0 HA LYS A 568 43.947 -0.831 9.992 1.00 0.00 H new ATOM 0 HB2 LYS A 568 45.660 0.845 8.859 1.00 0.00 H new ATOM 0 HB3 LYS A 568 45.017 1.960 10.048 1.00 0.00 H new ATOM 0 HG2 LYS A 568 45.377 0.081 11.802 1.00 0.00 H new ATOM 0 HG3 LYS A 568 46.291 -0.767 10.571 1.00 0.00 H new ATOM 0 HD2 LYS A 568 47.839 1.196 10.364 1.00 0.00 H new ATOM 0 HD3 LYS A 568 46.922 2.050 11.590 1.00 0.00 H new ATOM 0 HE2 LYS A 568 47.411 0.217 13.231 1.00 0.00 H new ATOM 0 HE3 LYS A 568 48.330 -0.635 12.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 49.771 0.641 13.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 49.848 1.253 11.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 48.957 2.078 13.059 1.00 0.00 H new ATOM 552 N GLU A 569 41.488 0.171 10.631 1.00 0.00 N ATOM 553 CA GLU A 569 40.382 0.542 11.545 1.00 0.00 C ATOM 554 C GLU A 569 39.826 -0.660 12.328 1.00 0.00 C ATOM 555 O GLU A 569 40.101 -1.809 11.985 1.00 0.00 O ATOM 556 CB GLU A 569 39.255 1.240 10.769 1.00 0.00 C ATOM 557 CG GLU A 569 39.576 2.682 10.340 1.00 0.00 C ATOM 558 CD GLU A 569 39.768 3.674 11.514 1.00 0.00 C ATOM 559 OE1 GLU A 569 39.254 3.435 12.634 1.00 0.00 O ATOM 560 OE2 GLU A 569 40.432 4.721 11.316 1.00 0.00 O ATOM 0 H GLU A 569 41.216 -0.485 9.899 1.00 0.00 H new ATOM 0 HA GLU A 569 40.799 1.232 12.278 1.00 0.00 H new ATOM 0 HB2 GLU A 569 39.025 0.652 9.880 1.00 0.00 H new ATOM 0 HB3 GLU A 569 38.357 1.249 11.387 1.00 0.00 H new ATOM 0 HG2 GLU A 569 40.483 2.674 9.735 1.00 0.00 H new ATOM 0 HG3 GLU A 569 38.771 3.046 9.702 1.00 0.00 H new ATOM 567 N THR A 570 39.035 -0.396 13.373 1.00 0.00 N ATOM 568 CA THR A 570 38.412 -1.431 14.216 1.00 0.00 C ATOM 569 C THR A 570 36.895 -1.449 14.038 1.00 0.00 C ATOM 570 O THR A 570 36.224 -0.460 14.342 1.00 0.00 O ATOM 571 CB THR A 570 38.787 -1.235 15.699 1.00 0.00 C ATOM 572 OG1 THR A 570 40.191 -1.295 15.857 1.00 0.00 O ATOM 573 CG2 THR A 570 38.190 -2.299 16.625 1.00 0.00 C ATOM 0 H THR A 570 38.804 0.554 13.664 1.00 0.00 H new ATOM 0 HA THR A 570 38.799 -2.398 13.894 1.00 0.00 H new ATOM 0 HB THR A 570 38.382 -0.262 15.975 1.00 0.00 H new ATOM 0 HG1 THR A 570 40.420 -1.168 16.801 1.00 0.00 H new ATOM 0 HG21 THR A 570 38.494 -2.099 17.652 1.00 0.00 H new ATOM 0 HG22 THR A 570 37.102 -2.272 16.557 1.00 0.00 H new ATOM 0 HG23 THR A 570 38.548 -3.284 16.325 1.00 0.00 H new ATOM 581 N VAL A 571 36.339 -2.570 13.565 1.00 0.00 N ATOM 582 CA VAL A 571 34.887 -2.830 13.586 1.00 0.00 C ATOM 583 C VAL A 571 34.454 -3.288 14.970 1.00 0.00 C ATOM 584 O VAL A 571 35.126 -4.102 15.599 1.00 0.00 O ATOM 585 CB VAL A 571 34.418 -3.859 12.537 1.00 0.00 C ATOM 586 CG1 VAL A 571 34.365 -3.213 11.158 1.00 0.00 C ATOM 587 CG2 VAL A 571 35.261 -5.128 12.455 1.00 0.00 C ATOM 0 H VAL A 571 36.883 -3.329 13.154 1.00 0.00 H new ATOM 0 HA VAL A 571 34.414 -1.883 13.328 1.00 0.00 H new ATOM 0 HB VAL A 571 33.429 -4.171 12.872 1.00 0.00 H new ATOM 0 HG11 VAL A 571 34.033 -3.948 10.425 1.00 0.00 H new ATOM 0 HG12 VAL A 571 33.667 -2.376 11.175 1.00 0.00 H new ATOM 0 HG13 VAL A 571 35.357 -2.853 10.887 1.00 0.00 H new ATOM 0 HG21 VAL A 571 34.852 -5.788 11.690 1.00 0.00 H new ATOM 0 HG22 VAL A 571 36.288 -4.867 12.198 1.00 0.00 H new ATOM 0 HG23 VAL A 571 35.247 -5.637 13.419 1.00 0.00 H new ATOM 597 N THR A 572 33.310 -2.793 15.444 1.00 0.00 N ATOM 598 CA THR A 572 32.694 -3.178 16.725 1.00 0.00 C ATOM 599 C THR A 572 31.292 -3.743 16.485 1.00 0.00 C ATOM 600 O THR A 572 30.557 -3.263 15.617 1.00 0.00 O ATOM 601 CB THR A 572 32.652 -2.005 17.719 1.00 0.00 C ATOM 602 OG1 THR A 572 32.018 -0.864 17.169 1.00 0.00 O ATOM 603 CG2 THR A 572 34.058 -1.599 18.160 1.00 0.00 C ATOM 0 H THR A 572 32.767 -2.094 14.937 1.00 0.00 H new ATOM 0 HA THR A 572 33.315 -3.953 17.175 1.00 0.00 H new ATOM 0 HB THR A 572 32.078 -2.359 18.576 1.00 0.00 H new ATOM 0 HG1 THR A 572 32.010 -0.142 17.832 1.00 0.00 H new ATOM 0 HG21 THR A 572 33.993 -0.768 18.862 1.00 0.00 H new ATOM 0 HG22 THR A 572 34.546 -2.445 18.644 1.00 0.00 H new ATOM 0 HG23 THR A 572 34.639 -1.294 17.289 1.00 0.00 H new ATOM 611 N GLY A 573 30.909 -4.765 17.251 1.00 0.00 N ATOM 612 CA GLY A 573 29.589 -5.388 17.151 1.00 0.00 C ATOM 613 C GLY A 573 28.454 -4.445 17.566 1.00 0.00 C ATOM 614 O GLY A 573 28.597 -3.648 18.496 1.00 0.00 O ATOM 0 H GLY A 573 31.508 -5.186 17.961 1.00 0.00 H new ATOM 0 HA2 GLY A 573 29.425 -5.718 16.125 1.00 0.00 H new ATOM 0 HA3 GLY A 573 29.564 -6.278 17.780 1.00 0.00 H new ATOM 618 N VAL A 574 27.313 -4.556 16.882 1.00 0.00 N ATOM 619 CA VAL A 574 26.110 -3.737 17.099 1.00 0.00 C ATOM 620 C VAL A 574 24.870 -4.618 17.255 1.00 0.00 C ATOM 621 O VAL A 574 24.652 -5.505 16.440 1.00 0.00 O ATOM 622 CB VAL A 574 25.920 -2.706 15.957 1.00 0.00 C ATOM 623 CG1 VAL A 574 24.639 -1.876 16.129 1.00 0.00 C ATOM 624 CG2 VAL A 574 27.097 -1.727 15.872 1.00 0.00 C ATOM 0 H VAL A 574 27.193 -5.241 16.136 1.00 0.00 H new ATOM 0 HA VAL A 574 26.248 -3.182 18.027 1.00 0.00 H new ATOM 0 HB VAL A 574 25.855 -3.298 15.044 1.00 0.00 H new ATOM 0 HG11 VAL A 574 24.551 -1.168 15.305 1.00 0.00 H new ATOM 0 HG12 VAL A 574 23.774 -2.539 16.133 1.00 0.00 H new ATOM 0 HG13 VAL A 574 24.682 -1.331 17.072 1.00 0.00 H new ATOM 0 HG21 VAL A 574 26.925 -1.021 15.059 1.00 0.00 H new ATOM 0 HG22 VAL A 574 27.186 -1.183 16.812 1.00 0.00 H new ATOM 0 HG23 VAL A 574 28.017 -2.280 15.684 1.00 0.00 H new ATOM 634 N TYR A 575 24.042 -4.381 18.273 1.00 0.00 N ATOM 635 CA TYR A 575 22.846 -5.189 18.530 1.00 0.00 C ATOM 636 C TYR A 575 21.729 -4.934 17.488 1.00 0.00 C ATOM 637 O TYR A 575 21.200 -3.828 17.379 1.00 0.00 O ATOM 638 CB TYR A 575 22.346 -4.925 19.950 1.00 0.00 C ATOM 639 CG TYR A 575 21.199 -5.819 20.373 1.00 0.00 C ATOM 640 CD1 TYR A 575 21.442 -7.173 20.673 1.00 0.00 C ATOM 641 CD2 TYR A 575 19.898 -5.297 20.497 1.00 0.00 C ATOM 642 CE1 TYR A 575 20.398 -7.996 21.120 1.00 0.00 C ATOM 643 CE2 TYR A 575 18.843 -6.117 20.941 1.00 0.00 C ATOM 644 CZ TYR A 575 19.095 -7.463 21.271 1.00 0.00 C ATOM 645 OH TYR A 575 18.084 -8.245 21.740 1.00 0.00 O ATOM 0 H TYR A 575 24.180 -3.624 18.943 1.00 0.00 H new ATOM 0 HA TYR A 575 23.121 -6.239 18.434 1.00 0.00 H new ATOM 0 HB2 TYR A 575 23.174 -5.058 20.647 1.00 0.00 H new ATOM 0 HB3 TYR A 575 22.030 -3.885 20.026 1.00 0.00 H new ATOM 0 HD1 TYR A 575 22.436 -7.579 20.558 1.00 0.00 H new ATOM 0 HD2 TYR A 575 19.708 -4.263 20.251 1.00 0.00 H new ATOM 0 HE1 TYR A 575 20.588 -9.034 21.349 1.00 0.00 H new ATOM 0 HE2 TYR A 575 17.844 -5.715 21.028 1.00 0.00 H new ATOM 0 HH TYR A 575 17.257 -7.720 21.782 1.00 0.00 H new ATOM 655 N ASP A 576 21.366 -5.972 16.734 1.00 0.00 N ATOM 656 CA ASP A 576 20.190 -5.995 15.867 1.00 0.00 C ATOM 657 C ASP A 576 18.954 -6.386 16.691 1.00 0.00 C ATOM 658 O ASP A 576 18.824 -7.528 17.130 1.00 0.00 O ATOM 659 CB ASP A 576 20.400 -6.997 14.721 1.00 0.00 C ATOM 660 CG ASP A 576 19.194 -7.053 13.759 1.00 0.00 C ATOM 661 OD1 ASP A 576 19.048 -8.089 13.059 1.00 0.00 O ATOM 662 OD2 ASP A 576 18.381 -6.101 13.701 1.00 0.00 O ATOM 0 H ASP A 576 21.897 -6.843 16.710 1.00 0.00 H new ATOM 0 HA ASP A 576 20.038 -5.004 15.440 1.00 0.00 H new ATOM 0 HB2 ASP A 576 21.295 -6.723 14.162 1.00 0.00 H new ATOM 0 HB3 ASP A 576 20.576 -7.989 15.137 1.00 0.00 H new ATOM 667 N GLU A 577 18.040 -5.439 16.891 1.00 0.00 N ATOM 668 CA GLU A 577 16.814 -5.648 17.669 1.00 0.00 C ATOM 669 C GLU A 577 15.805 -6.594 16.991 1.00 0.00 C ATOM 670 O GLU A 577 14.964 -7.186 17.667 1.00 0.00 O ATOM 671 CB GLU A 577 16.139 -4.292 17.932 1.00 0.00 C ATOM 672 CG GLU A 577 16.991 -3.358 18.800 1.00 0.00 C ATOM 673 CD GLU A 577 16.333 -1.979 19.016 1.00 0.00 C ATOM 674 OE1 GLU A 577 17.047 -0.948 18.934 1.00 0.00 O ATOM 675 OE2 GLU A 577 15.114 -1.892 19.300 1.00 0.00 O ATOM 0 H GLU A 577 18.127 -4.495 16.515 1.00 0.00 H new ATOM 0 HA GLU A 577 17.115 -6.126 18.601 1.00 0.00 H new ATOM 0 HB2 GLU A 577 15.931 -3.805 16.979 1.00 0.00 H new ATOM 0 HB3 GLU A 577 15.179 -4.459 18.421 1.00 0.00 H new ATOM 0 HG2 GLU A 577 17.166 -3.828 19.768 1.00 0.00 H new ATOM 0 HG3 GLU A 577 17.965 -3.221 18.331 1.00 0.00 H new ATOM 682 N GLU A 578 15.850 -6.735 15.663 1.00 0.00 N ATOM 683 CA GLU A 578 14.887 -7.546 14.895 1.00 0.00 C ATOM 684 C GLU A 578 15.165 -9.059 14.992 1.00 0.00 C ATOM 685 O GLU A 578 14.228 -9.846 15.154 1.00 0.00 O ATOM 686 CB GLU A 578 14.837 -7.089 13.431 1.00 0.00 C ATOM 687 CG GLU A 578 14.414 -5.616 13.297 1.00 0.00 C ATOM 688 CD GLU A 578 14.009 -5.224 11.854 1.00 0.00 C ATOM 689 OE1 GLU A 578 13.123 -4.350 11.687 1.00 0.00 O ATOM 690 OE2 GLU A 578 14.575 -5.755 10.869 1.00 0.00 O ATOM 0 H GLU A 578 16.559 -6.288 15.082 1.00 0.00 H new ATOM 0 HA GLU A 578 13.909 -7.383 15.347 1.00 0.00 H new ATOM 0 HB2 GLU A 578 15.818 -7.227 12.975 1.00 0.00 H new ATOM 0 HB3 GLU A 578 14.138 -7.718 12.879 1.00 0.00 H new ATOM 0 HG2 GLU A 578 13.576 -5.423 13.967 1.00 0.00 H new ATOM 0 HG3 GLU A 578 15.236 -4.978 13.622 1.00 0.00 H new ATOM 697 N SER A 579 16.436 -9.470 14.916 1.00 0.00 N ATOM 698 CA SER A 579 16.867 -10.866 15.155 1.00 0.00 C ATOM 699 C SER A 579 17.250 -11.137 16.621 1.00 0.00 C ATOM 700 O SER A 579 17.159 -12.276 17.089 1.00 0.00 O ATOM 701 CB SER A 579 18.045 -11.230 14.248 1.00 0.00 C ATOM 702 OG SER A 579 19.199 -10.455 14.526 1.00 0.00 O ATOM 0 H SER A 579 17.207 -8.843 14.685 1.00 0.00 H new ATOM 0 HA SER A 579 16.006 -11.492 14.920 1.00 0.00 H new ATOM 0 HB2 SER A 579 18.282 -12.287 14.371 1.00 0.00 H new ATOM 0 HB3 SER A 579 17.756 -11.087 13.207 1.00 0.00 H new ATOM 0 HG SER A 579 19.162 -9.619 14.016 1.00 0.00 H new ATOM 708 N GLY A 580 17.650 -10.101 17.375 1.00 0.00 N ATOM 709 CA GLY A 580 18.072 -10.214 18.775 1.00 0.00 C ATOM 710 C GLY A 580 19.530 -10.660 18.930 1.00 0.00 C ATOM 711 O GLY A 580 19.848 -11.392 19.868 1.00 0.00 O ATOM 0 H GLY A 580 17.689 -9.146 17.020 1.00 0.00 H new ATOM 0 HA2 GLY A 580 17.939 -9.251 19.267 1.00 0.00 H new ATOM 0 HA3 GLY A 580 17.424 -10.926 19.287 1.00 0.00 H new ATOM 715 N GLU A 581 20.396 -10.281 17.993 1.00 0.00 N ATOM 716 CA GLU A 581 21.799 -10.718 17.908 1.00 0.00 C ATOM 717 C GLU A 581 22.740 -9.535 17.633 1.00 0.00 C ATOM 718 O GLU A 581 22.365 -8.589 16.942 1.00 0.00 O ATOM 719 CB GLU A 581 21.978 -11.757 16.787 1.00 0.00 C ATOM 720 CG GLU A 581 21.209 -13.078 16.968 1.00 0.00 C ATOM 721 CD GLU A 581 21.758 -14.014 18.077 1.00 0.00 C ATOM 722 OE1 GLU A 581 22.795 -13.715 18.724 1.00 0.00 O ATOM 723 OE2 GLU A 581 21.160 -15.098 18.287 1.00 0.00 O ATOM 0 H GLU A 581 20.137 -9.639 17.244 1.00 0.00 H new ATOM 0 HA GLU A 581 22.053 -11.162 18.871 1.00 0.00 H new ATOM 0 HB2 GLU A 581 21.668 -11.304 15.845 1.00 0.00 H new ATOM 0 HB3 GLU A 581 23.040 -11.986 16.696 1.00 0.00 H new ATOM 0 HG2 GLU A 581 20.168 -12.846 17.193 1.00 0.00 H new ATOM 0 HG3 GLU A 581 21.218 -13.618 16.021 1.00 0.00 H new ATOM 730 N TRP A 582 23.979 -9.590 18.112 1.00 0.00 N ATOM 731 CA TRP A 582 25.008 -8.609 17.763 1.00 0.00 C ATOM 732 C TRP A 582 25.618 -8.908 16.386 1.00 0.00 C ATOM 733 O TRP A 582 25.832 -10.068 16.034 1.00 0.00 O ATOM 734 CB TRP A 582 26.074 -8.562 18.858 1.00 0.00 C ATOM 735 CG TRP A 582 25.582 -8.098 20.206 1.00 0.00 C ATOM 736 CD1 TRP A 582 24.949 -8.869 21.121 1.00 0.00 C ATOM 737 CD2 TRP A 582 25.658 -6.767 20.807 1.00 0.00 C ATOM 738 NE1 TRP A 582 24.619 -8.111 22.227 1.00 0.00 N ATOM 739 CE2 TRP A 582 25.026 -6.805 22.084 1.00 0.00 C ATOM 740 CE3 TRP A 582 26.222 -5.538 20.406 1.00 0.00 C ATOM 741 CZ2 TRP A 582 24.930 -5.670 22.908 1.00 0.00 C ATOM 742 CZ3 TRP A 582 26.133 -4.391 21.219 1.00 0.00 C ATOM 743 CH2 TRP A 582 25.481 -4.457 22.462 1.00 0.00 C ATOM 0 H TRP A 582 24.301 -10.315 18.753 1.00 0.00 H new ATOM 0 HA TRP A 582 24.546 -7.624 17.695 1.00 0.00 H new ATOM 0 HB2 TRP A 582 26.505 -9.557 18.968 1.00 0.00 H new ATOM 0 HB3 TRP A 582 26.878 -7.901 18.534 1.00 0.00 H new ATOM 0 HD1 TRP A 582 24.734 -9.921 21.003 1.00 0.00 H new ATOM 0 HE1 TRP A 582 24.134 -8.474 23.048 1.00 0.00 H new ATOM 0 HE3 TRP A 582 26.732 -5.475 19.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 582 24.440 -5.730 23.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 582 26.567 -3.459 20.886 1.00 0.00 H new ATOM 0 HH2 TRP A 582 25.403 -3.572 23.077 1.00 0.00 H new ATOM 754 N VAL A 583 25.912 -7.871 15.599 1.00 0.00 N ATOM 755 CA VAL A 583 26.403 -7.956 14.210 1.00 0.00 C ATOM 756 C VAL A 583 27.543 -6.974 13.913 1.00 0.00 C ATOM 757 O VAL A 583 27.556 -5.838 14.379 1.00 0.00 O ATOM 758 CB VAL A 583 25.268 -7.785 13.174 1.00 0.00 C ATOM 759 CG1 VAL A 583 24.277 -8.953 13.200 1.00 0.00 C ATOM 760 CG2 VAL A 583 24.465 -6.486 13.302 1.00 0.00 C ATOM 0 H VAL A 583 25.813 -6.908 15.919 1.00 0.00 H new ATOM 0 HA VAL A 583 26.806 -8.964 14.113 1.00 0.00 H new ATOM 0 HB VAL A 583 25.805 -7.754 12.226 1.00 0.00 H new ATOM 0 HG11 VAL A 583 23.499 -8.787 12.455 1.00 0.00 H new ATOM 0 HG12 VAL A 583 24.802 -9.881 12.975 1.00 0.00 H new ATOM 0 HG13 VAL A 583 23.824 -9.024 14.189 1.00 0.00 H new ATOM 0 HG21 VAL A 583 23.693 -6.458 12.533 1.00 0.00 H new ATOM 0 HG22 VAL A 583 23.998 -6.442 14.286 1.00 0.00 H new ATOM 0 HG23 VAL A 583 25.132 -5.633 13.178 1.00 0.00 H new ATOM 770 N TRP A 584 28.493 -7.408 13.088 1.00 0.00 N ATOM 771 CA TRP A 584 29.569 -6.607 12.497 1.00 0.00 C ATOM 772 C TRP A 584 29.111 -6.166 11.103 1.00 0.00 C ATOM 773 O TRP A 584 29.074 -6.975 10.173 1.00 0.00 O ATOM 774 CB TRP A 584 30.856 -7.452 12.422 1.00 0.00 C ATOM 775 CG TRP A 584 31.773 -7.480 13.603 1.00 0.00 C ATOM 776 CD1 TRP A 584 32.200 -6.402 14.300 1.00 0.00 C ATOM 777 CD2 TRP A 584 32.471 -8.630 14.176 1.00 0.00 C ATOM 778 NE1 TRP A 584 33.053 -6.813 15.311 1.00 0.00 N ATOM 779 CE2 TRP A 584 33.259 -8.176 15.275 1.00 0.00 C ATOM 780 CE3 TRP A 584 32.504 -10.013 13.898 1.00 0.00 C ATOM 781 CZ2 TRP A 584 34.033 -9.041 16.064 1.00 0.00 C ATOM 782 CZ3 TRP A 584 33.275 -10.900 14.679 1.00 0.00 C ATOM 783 CH2 TRP A 584 34.031 -10.422 15.765 1.00 0.00 C ATOM 0 H TRP A 584 28.537 -8.384 12.795 1.00 0.00 H new ATOM 0 HA TRP A 584 29.785 -5.727 13.103 1.00 0.00 H new ATOM 0 HB2 TRP A 584 30.563 -8.480 12.208 1.00 0.00 H new ATOM 0 HB3 TRP A 584 31.432 -7.100 11.566 1.00 0.00 H new ATOM 0 HD1 TRP A 584 31.919 -5.379 14.099 1.00 0.00 H new ATOM 0 HE1 TRP A 584 33.476 -6.186 15.996 1.00 0.00 H new ATOM 0 HE3 TRP A 584 31.928 -10.400 13.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 584 34.620 -8.658 16.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 584 33.285 -11.953 14.441 1.00 0.00 H new ATOM 0 HH2 TRP A 584 34.608 -11.108 16.368 1.00 0.00 H new ATOM 794 N LYS A 585 28.685 -4.907 10.982 1.00 0.00 N ATOM 795 CA LYS A 585 28.144 -4.315 9.744 1.00 0.00 C ATOM 796 C LYS A 585 29.254 -3.911 8.759 1.00 0.00 C ATOM 797 O LYS A 585 30.356 -3.564 9.182 1.00 0.00 O ATOM 798 CB LYS A 585 27.220 -3.137 10.101 1.00 0.00 C ATOM 799 CG LYS A 585 26.015 -3.598 10.940 1.00 0.00 C ATOM 800 CD LYS A 585 25.016 -2.455 11.138 1.00 0.00 C ATOM 801 CE LYS A 585 23.815 -2.936 11.963 1.00 0.00 C ATOM 802 NZ LYS A 585 22.780 -1.880 12.092 1.00 0.00 N ATOM 0 H LYS A 585 28.705 -4.248 11.760 1.00 0.00 H new ATOM 0 HA LYS A 585 27.555 -5.071 9.224 1.00 0.00 H new ATOM 0 HB2 LYS A 585 27.784 -2.386 10.654 1.00 0.00 H new ATOM 0 HB3 LYS A 585 26.867 -2.660 9.187 1.00 0.00 H new ATOM 0 HG2 LYS A 585 25.522 -4.435 10.446 1.00 0.00 H new ATOM 0 HG3 LYS A 585 26.359 -3.958 11.910 1.00 0.00 H new ATOM 0 HD2 LYS A 585 25.503 -1.621 11.643 1.00 0.00 H new ATOM 0 HD3 LYS A 585 24.677 -2.087 10.170 1.00 0.00 H new ATOM 0 HE2 LYS A 585 23.379 -3.817 11.492 1.00 0.00 H new ATOM 0 HE3 LYS A 585 24.152 -3.238 12.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 585 21.984 -2.241 12.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 585 23.189 -1.049 12.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 585 22.440 -1.609 11.147 1.00 0.00 H new ATOM 816 N ASN A 586 28.971 -3.978 7.454 1.00 0.00 N ATOM 817 CA ASN A 586 29.928 -3.774 6.355 1.00 0.00 C ATOM 818 C ASN A 586 31.191 -4.653 6.490 1.00 0.00 C ATOM 819 O ASN A 586 32.296 -4.215 6.178 1.00 0.00 O ATOM 820 CB ASN A 586 30.198 -2.262 6.170 1.00 0.00 C ATOM 821 CG ASN A 586 31.040 -1.922 4.942 1.00 0.00 C ATOM 822 OD1 ASN A 586 31.070 -2.625 3.944 1.00 0.00 O ATOM 823 ND2 ASN A 586 31.751 -0.820 4.978 1.00 0.00 N ATOM 0 H ASN A 586 28.030 -4.184 7.118 1.00 0.00 H new ATOM 0 HA ASN A 586 29.483 -4.125 5.424 1.00 0.00 H new ATOM 0 HB2 ASN A 586 29.244 -1.740 6.098 1.00 0.00 H new ATOM 0 HB3 ASN A 586 30.702 -1.883 7.059 1.00 0.00 H new ATOM 0 HD21 ASN A 586 32.323 -0.556 4.176 1.00 0.00 H new ATOM 0 HD22 ASN A 586 31.731 -0.227 5.808 1.00 0.00 H new ATOM 830 N THR A 587 31.060 -5.890 6.984 1.00 0.00 N ATOM 831 CA THR A 587 32.190 -6.784 7.316 1.00 0.00 C ATOM 832 C THR A 587 32.155 -8.079 6.505 1.00 0.00 C ATOM 833 O THR A 587 31.087 -8.596 6.184 1.00 0.00 O ATOM 834 CB THR A 587 32.261 -7.074 8.828 1.00 0.00 C ATOM 835 OG1 THR A 587 32.391 -5.855 9.534 1.00 0.00 O ATOM 836 CG2 THR A 587 33.460 -7.932 9.246 1.00 0.00 C ATOM 0 H THR A 587 30.150 -6.311 7.170 1.00 0.00 H new ATOM 0 HA THR A 587 33.101 -6.254 7.038 1.00 0.00 H new ATOM 0 HB THR A 587 31.344 -7.616 9.060 1.00 0.00 H new ATOM 0 HG1 THR A 587 31.606 -5.293 9.364 1.00 0.00 H new ATOM 0 HG21 THR A 587 33.436 -8.090 10.324 1.00 0.00 H new ATOM 0 HG22 THR A 587 33.413 -8.895 8.737 1.00 0.00 H new ATOM 0 HG23 THR A 587 34.384 -7.422 8.974 1.00 0.00 H new ATOM 844 N ILE A 588 33.340 -8.613 6.199 1.00 0.00 N ATOM 845 CA ILE A 588 33.594 -9.810 5.387 1.00 0.00 C ATOM 846 C ILE A 588 34.816 -10.582 5.919 1.00 0.00 C ATOM 847 O ILE A 588 35.785 -9.994 6.392 1.00 0.00 O ATOM 848 CB ILE A 588 33.745 -9.409 3.895 1.00 0.00 C ATOM 849 CG1 ILE A 588 34.190 -10.604 3.023 1.00 0.00 C ATOM 850 CG2 ILE A 588 34.751 -8.266 3.717 1.00 0.00 C ATOM 851 CD1 ILE A 588 34.084 -10.370 1.515 1.00 0.00 C ATOM 0 H ILE A 588 34.207 -8.194 6.534 1.00 0.00 H new ATOM 0 HA ILE A 588 32.744 -10.488 5.461 1.00 0.00 H new ATOM 0 HB ILE A 588 32.760 -9.076 3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 588 35.224 -10.849 3.267 1.00 0.00 H new ATOM 0 HG13 ILE A 588 33.586 -11.473 3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 588 34.830 -8.013 2.660 1.00 0.00 H new ATOM 0 HG22 ILE A 588 34.412 -7.393 4.275 1.00 0.00 H new ATOM 0 HG23 ILE A 588 35.727 -8.579 4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 588 34.417 -11.262 0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 588 33.048 -10.157 1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 588 34.711 -9.524 1.233 1.00 0.00 H new ATOM 863 N GLU A 589 34.774 -11.910 5.821 1.00 0.00 N ATOM 864 CA GLU A 589 35.917 -12.802 6.032 1.00 0.00 C ATOM 865 C GLU A 589 36.287 -13.484 4.701 1.00 0.00 C ATOM 866 O GLU A 589 35.425 -14.057 4.028 1.00 0.00 O ATOM 867 CB GLU A 589 35.598 -13.825 7.142 1.00 0.00 C ATOM 868 CG GLU A 589 36.779 -14.781 7.384 1.00 0.00 C ATOM 869 CD GLU A 589 36.530 -15.818 8.500 1.00 0.00 C ATOM 870 OE1 GLU A 589 35.372 -16.246 8.723 1.00 0.00 O ATOM 871 OE2 GLU A 589 37.517 -16.263 9.137 1.00 0.00 O ATOM 0 H GLU A 589 33.918 -12.412 5.585 1.00 0.00 H new ATOM 0 HA GLU A 589 36.781 -12.227 6.366 1.00 0.00 H new ATOM 0 HB2 GLU A 589 35.360 -13.298 8.066 1.00 0.00 H new ATOM 0 HB3 GLU A 589 34.714 -14.400 6.866 1.00 0.00 H new ATOM 0 HG2 GLU A 589 37.002 -15.308 6.456 1.00 0.00 H new ATOM 0 HG3 GLU A 589 37.662 -14.194 7.638 1.00 0.00 H new ATOM 878 N VAL A 590 37.564 -13.426 4.315 1.00 0.00 N ATOM 879 CA VAL A 590 38.102 -13.981 3.058 1.00 0.00 C ATOM 880 C VAL A 590 39.566 -14.349 3.219 1.00 0.00 C ATOM 881 O VAL A 590 40.344 -13.640 3.855 1.00 0.00 O ATOM 882 CB VAL A 590 37.813 -13.043 1.860 1.00 0.00 C ATOM 883 CG1 VAL A 590 38.364 -11.625 2.041 1.00 0.00 C ATOM 884 CG2 VAL A 590 38.337 -13.594 0.528 1.00 0.00 C ATOM 0 H VAL A 590 38.281 -12.977 4.885 1.00 0.00 H new ATOM 0 HA VAL A 590 37.582 -14.911 2.826 1.00 0.00 H new ATOM 0 HB VAL A 590 36.724 -12.995 1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 590 38.123 -11.026 1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 590 37.915 -11.170 2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 590 39.446 -11.668 2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 590 38.104 -12.892 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 590 39.417 -13.729 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 590 37.863 -14.553 0.319 1.00 0.00 H new ATOM 894 N ASN A 591 39.914 -15.529 2.701 1.00 0.00 N ATOM 895 CA ASN A 591 41.241 -16.127 2.805 1.00 0.00 C ATOM 896 C ASN A 591 41.762 -16.242 4.261 1.00 0.00 C ATOM 897 O ASN A 591 42.961 -16.097 4.525 1.00 0.00 O ATOM 898 CB ASN A 591 42.180 -15.392 1.836 1.00 0.00 C ATOM 899 CG ASN A 591 41.747 -15.416 0.377 1.00 0.00 C ATOM 900 OD1 ASN A 591 41.088 -16.330 -0.101 1.00 0.00 O ATOM 901 ND2 ASN A 591 42.112 -14.414 -0.391 1.00 0.00 N ATOM 0 H ASN A 591 39.257 -16.111 2.182 1.00 0.00 H new ATOM 0 HA ASN A 591 41.193 -17.172 2.501 1.00 0.00 H new ATOM 0 HB2 ASN A 591 42.267 -14.354 2.156 1.00 0.00 H new ATOM 0 HB3 ASN A 591 43.174 -15.834 1.912 1.00 0.00 H new ATOM 0 HD21 ASN A 591 41.846 -14.403 -1.376 1.00 0.00 H new ATOM 0 HD22 ASN A 591 42.661 -13.647 -0.002 1.00 0.00 H new ATOM 908 N GLY A 592 40.853 -16.482 5.217 1.00 0.00 N ATOM 909 CA GLY A 592 41.153 -16.621 6.650 1.00 0.00 C ATOM 910 C GLY A 592 41.390 -15.304 7.407 1.00 0.00 C ATOM 911 O GLY A 592 41.867 -15.340 8.543 1.00 0.00 O ATOM 0 H GLY A 592 39.860 -16.588 5.009 1.00 0.00 H new ATOM 0 HA2 GLY A 592 40.328 -17.150 7.127 1.00 0.00 H new ATOM 0 HA3 GLY A 592 42.039 -17.247 6.759 1.00 0.00 H new ATOM 915 N LYS A 593 41.077 -14.148 6.801 1.00 0.00 N ATOM 916 CA LYS A 593 41.272 -12.800 7.378 1.00 0.00 C ATOM 917 C LYS A 593 39.997 -11.954 7.277 1.00 0.00 C ATOM 918 O LYS A 593 39.194 -12.140 6.362 1.00 0.00 O ATOM 919 CB LYS A 593 42.448 -12.104 6.673 1.00 0.00 C ATOM 920 CG LYS A 593 43.794 -12.813 6.891 1.00 0.00 C ATOM 921 CD LYS A 593 44.922 -12.083 6.151 1.00 0.00 C ATOM 922 CE LYS A 593 46.250 -12.824 6.347 1.00 0.00 C ATOM 923 NZ LYS A 593 47.363 -12.170 5.610 1.00 0.00 N ATOM 0 H LYS A 593 40.668 -14.120 5.867 1.00 0.00 H new ATOM 0 HA LYS A 593 41.502 -12.908 8.438 1.00 0.00 H new ATOM 0 HB2 LYS A 593 42.242 -12.052 5.604 1.00 0.00 H new ATOM 0 HB3 LYS A 593 42.523 -11.078 7.034 1.00 0.00 H new ATOM 0 HG2 LYS A 593 44.020 -12.854 7.957 1.00 0.00 H new ATOM 0 HG3 LYS A 593 43.729 -13.842 6.539 1.00 0.00 H new ATOM 0 HD2 LYS A 593 44.687 -12.017 5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 593 45.009 -11.062 6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 593 46.491 -12.862 7.409 1.00 0.00 H new ATOM 0 HE3 LYS A 593 46.145 -13.854 6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 48.243 -12.701 5.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 47.145 -12.156 4.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 47.481 -11.195 5.952 1.00 0.00 H new ATOM 937 N TYR A 594 39.817 -11.031 8.219 1.00 0.00 N ATOM 938 CA TYR A 594 38.684 -10.094 8.265 1.00 0.00 C ATOM 939 C TYR A 594 39.007 -8.760 7.585 1.00 0.00 C ATOM 940 O TYR A 594 40.137 -8.270 7.649 1.00 0.00 O ATOM 941 CB TYR A 594 38.252 -9.841 9.711 1.00 0.00 C ATOM 942 CG TYR A 594 37.274 -10.869 10.263 1.00 0.00 C ATOM 943 CD1 TYR A 594 35.944 -10.481 10.519 1.00 0.00 C ATOM 944 CD2 TYR A 594 37.668 -12.204 10.490 1.00 0.00 C ATOM 945 CE1 TYR A 594 35.003 -11.422 10.980 1.00 0.00 C ATOM 946 CE2 TYR A 594 36.733 -13.145 10.959 1.00 0.00 C ATOM 947 CZ TYR A 594 35.394 -12.758 11.199 1.00 0.00 C ATOM 948 OH TYR A 594 34.481 -13.668 11.636 1.00 0.00 O ATOM 0 H TYR A 594 40.469 -10.906 8.994 1.00 0.00 H new ATOM 0 HA TYR A 594 37.867 -10.561 7.716 1.00 0.00 H new ATOM 0 HB2 TYR A 594 39.139 -9.824 10.345 1.00 0.00 H new ATOM 0 HB3 TYR A 594 37.796 -8.853 9.774 1.00 0.00 H new ATOM 0 HD1 TYR A 594 35.644 -9.456 10.361 1.00 0.00 H new ATOM 0 HD2 TYR A 594 38.689 -12.504 10.304 1.00 0.00 H new ATOM 0 HE1 TYR A 594 33.983 -11.120 11.165 1.00 0.00 H new ATOM 0 HE2 TYR A 594 37.039 -14.166 11.136 1.00 0.00 H new ATOM 0 HH TYR A 594 34.912 -14.542 11.735 1.00 0.00 H new ATOM 958 N PHE A 595 37.984 -8.157 6.980 1.00 0.00 N ATOM 959 CA PHE A 595 38.049 -6.910 6.217 1.00 0.00 C ATOM 960 C PHE A 595 36.688 -6.187 6.215 1.00 0.00 C ATOM 961 O PHE A 595 35.652 -6.780 6.520 1.00 0.00 O ATOM 962 CB PHE A 595 38.433 -7.250 4.763 1.00 0.00 C ATOM 963 CG PHE A 595 39.762 -7.945 4.526 1.00 0.00 C ATOM 964 CD1 PHE A 595 39.810 -9.344 4.385 1.00 0.00 C ATOM 965 CD2 PHE A 595 40.942 -7.193 4.380 1.00 0.00 C ATOM 966 CE1 PHE A 595 41.025 -9.984 4.084 1.00 0.00 C ATOM 967 CE2 PHE A 595 42.153 -7.830 4.052 1.00 0.00 C ATOM 968 CZ PHE A 595 42.196 -9.228 3.914 1.00 0.00 C ATOM 0 H PHE A 595 37.041 -8.544 7.010 1.00 0.00 H new ATOM 0 HA PHE A 595 38.787 -6.253 6.677 1.00 0.00 H new ATOM 0 HB2 PHE A 595 37.647 -7.880 4.348 1.00 0.00 H new ATOM 0 HB3 PHE A 595 38.433 -6.322 4.191 1.00 0.00 H new ATOM 0 HD1 PHE A 595 38.910 -9.928 4.508 1.00 0.00 H new ATOM 0 HD2 PHE A 595 40.918 -6.122 4.520 1.00 0.00 H new ATOM 0 HE1 PHE A 595 41.058 -11.059 3.983 1.00 0.00 H new ATOM 0 HE2 PHE A 595 43.049 -7.245 3.906 1.00 0.00 H new ATOM 0 HZ PHE A 595 43.128 -9.720 3.678 1.00 0.00 H new ATOM 978 N HIS A 596 36.673 -4.909 5.827 1.00 0.00 N ATOM 979 CA HIS A 596 35.427 -4.201 5.480 1.00 0.00 C ATOM 980 C HIS A 596 35.026 -4.609 4.052 1.00 0.00 C ATOM 981 O HIS A 596 35.901 -4.744 3.192 1.00 0.00 O ATOM 982 CB HIS A 596 35.617 -2.680 5.485 1.00 0.00 C ATOM 983 CG HIS A 596 35.657 -1.963 6.806 1.00 0.00 C ATOM 984 ND1 HIS A 596 36.734 -1.165 7.162 1.00 0.00 N ATOM 985 CD2 HIS A 596 34.681 -1.863 7.755 1.00 0.00 C ATOM 986 CE1 HIS A 596 36.401 -0.593 8.330 1.00 0.00 C ATOM 987 NE2 HIS A 596 35.173 -1.003 8.713 1.00 0.00 N ATOM 0 H HIS A 596 37.513 -4.336 5.743 1.00 0.00 H new ATOM 0 HA HIS A 596 34.669 -4.465 6.218 1.00 0.00 H new ATOM 0 HB2 HIS A 596 36.548 -2.461 4.962 1.00 0.00 H new ATOM 0 HB3 HIS A 596 34.810 -2.244 4.896 1.00 0.00 H new ATOM 0 HD2 HIS A 596 33.720 -2.357 7.755 1.00 0.00 H new ATOM 0 HE1 HIS A 596 37.024 0.095 8.882 1.00 0.00 H new ATOM 0 HE2 HIS A 596 34.691 -0.723 9.567 1.00 0.00 H new ATOM 995 N SER A 597 33.732 -4.774 3.765 1.00 0.00 N ATOM 996 CA SER A 597 33.274 -5.201 2.437 1.00 0.00 C ATOM 997 C SER A 597 33.556 -4.139 1.361 1.00 0.00 C ATOM 998 O SER A 597 34.042 -4.467 0.279 1.00 0.00 O ATOM 999 CB SER A 597 31.800 -5.606 2.490 1.00 0.00 C ATOM 1000 OG SER A 597 31.438 -6.347 1.338 1.00 0.00 O ATOM 0 H SER A 597 32.980 -4.618 4.436 1.00 0.00 H new ATOM 0 HA SER A 597 33.848 -6.080 2.143 1.00 0.00 H new ATOM 0 HB2 SER A 597 31.614 -6.202 3.384 1.00 0.00 H new ATOM 0 HB3 SER A 597 31.176 -4.715 2.565 1.00 0.00 H new ATOM 0 HG SER A 597 30.492 -6.597 1.394 1.00 0.00 H new ATOM 1006 N THR A 598 33.382 -2.851 1.690 1.00 0.00 N ATOM 1007 CA THR A 598 33.775 -1.717 0.831 1.00 0.00 C ATOM 1008 C THR A 598 35.289 -1.646 0.588 1.00 0.00 C ATOM 1009 O THR A 598 35.711 -1.483 -0.561 1.00 0.00 O ATOM 1010 CB THR A 598 33.285 -0.385 1.420 1.00 0.00 C ATOM 1011 OG1 THR A 598 33.618 -0.269 2.794 1.00 0.00 O ATOM 1012 CG2 THR A 598 31.768 -0.240 1.310 1.00 0.00 C ATOM 0 H THR A 598 32.959 -2.560 2.571 1.00 0.00 H new ATOM 0 HA THR A 598 33.296 -1.890 -0.133 1.00 0.00 H new ATOM 0 HB THR A 598 33.781 0.394 0.841 1.00 0.00 H new ATOM 0 HG1 THR A 598 33.439 0.645 3.098 1.00 0.00 H new ATOM 0 HG21 THR A 598 31.462 0.715 1.738 1.00 0.00 H new ATOM 0 HG22 THR A 598 31.474 -0.279 0.261 1.00 0.00 H new ATOM 0 HG23 THR A 598 31.285 -1.052 1.853 1.00 0.00 H new ATOM 1020 N CYS A 599 36.114 -1.823 1.628 1.00 0.00 N ATOM 1021 CA CYS A 599 37.574 -1.835 1.523 1.00 0.00 C ATOM 1022 C CYS A 599 38.055 -2.995 0.630 1.00 0.00 C ATOM 1023 O CYS A 599 38.835 -2.791 -0.303 1.00 0.00 O ATOM 1024 CB CYS A 599 38.164 -1.920 2.934 1.00 0.00 C ATOM 1025 SG CYS A 599 37.904 -0.367 3.860 1.00 0.00 S ATOM 0 H CYS A 599 35.778 -1.964 2.581 1.00 0.00 H new ATOM 0 HA CYS A 599 37.919 -0.916 1.048 1.00 0.00 H new ATOM 0 HB2 CYS A 599 37.704 -2.748 3.473 1.00 0.00 H new ATOM 0 HB3 CYS A 599 39.231 -2.134 2.872 1.00 0.00 H new ATOM 1030 N TYR A 600 37.581 -4.214 0.911 1.00 0.00 N ATOM 1031 CA TYR A 600 37.880 -5.406 0.117 1.00 0.00 C ATOM 1032 C TYR A 600 37.468 -5.233 -1.354 1.00 0.00 C ATOM 1033 O TYR A 600 38.258 -5.556 -2.244 1.00 0.00 O ATOM 1034 CB TYR A 600 37.204 -6.635 0.744 1.00 0.00 C ATOM 1035 CG TYR A 600 37.210 -7.862 -0.155 1.00 0.00 C ATOM 1036 CD1 TYR A 600 38.398 -8.599 -0.326 1.00 0.00 C ATOM 1037 CD2 TYR A 600 36.047 -8.221 -0.868 1.00 0.00 C ATOM 1038 CE1 TYR A 600 38.430 -9.686 -1.223 1.00 0.00 C ATOM 1039 CE2 TYR A 600 36.071 -9.319 -1.751 1.00 0.00 C ATOM 1040 CZ TYR A 600 37.263 -10.051 -1.934 1.00 0.00 C ATOM 1041 OH TYR A 600 37.280 -11.106 -2.793 1.00 0.00 O ATOM 0 H TYR A 600 36.971 -4.400 1.707 1.00 0.00 H new ATOM 0 HA TYR A 600 38.960 -5.557 0.124 1.00 0.00 H new ATOM 0 HB2 TYR A 600 37.708 -6.878 1.679 1.00 0.00 H new ATOM 0 HB3 TYR A 600 36.173 -6.384 0.994 1.00 0.00 H new ATOM 0 HD1 TYR A 600 39.284 -8.331 0.230 1.00 0.00 H new ATOM 0 HD2 TYR A 600 35.137 -7.654 -0.737 1.00 0.00 H new ATOM 0 HE1 TYR A 600 39.346 -10.240 -1.367 1.00 0.00 H new ATOM 0 HE2 TYR A 600 35.177 -9.600 -2.288 1.00 0.00 H new ATOM 0 HH TYR A 600 36.393 -11.215 -3.194 1.00 0.00 H new ATOM 1051 N HIS A 601 36.280 -4.675 -1.624 1.00 0.00 N ATOM 1052 CA HIS A 601 35.788 -4.426 -2.987 1.00 0.00 C ATOM 1053 C HIS A 601 36.674 -3.436 -3.768 1.00 0.00 C ATOM 1054 O HIS A 601 36.973 -3.669 -4.941 1.00 0.00 O ATOM 1055 CB HIS A 601 34.334 -3.948 -2.917 1.00 0.00 C ATOM 1056 CG HIS A 601 33.690 -3.753 -4.267 1.00 0.00 C ATOM 1057 ND1 HIS A 601 33.321 -4.779 -5.139 1.00 0.00 N ATOM 1058 CD2 HIS A 601 33.384 -2.552 -4.840 1.00 0.00 C ATOM 1059 CE1 HIS A 601 32.798 -4.176 -6.220 1.00 0.00 C ATOM 1060 NE2 HIS A 601 32.823 -2.840 -6.067 1.00 0.00 N ATOM 0 H HIS A 601 35.628 -4.381 -0.897 1.00 0.00 H new ATOM 0 HA HIS A 601 35.835 -5.362 -3.543 1.00 0.00 H new ATOM 0 HB2 HIS A 601 33.751 -4.672 -2.348 1.00 0.00 H new ATOM 0 HB3 HIS A 601 34.297 -3.007 -2.368 1.00 0.00 H new ATOM 0 HD2 HIS A 601 33.548 -1.572 -4.417 1.00 0.00 H new ATOM 0 HE1 HIS A 601 32.413 -4.691 -7.088 1.00 0.00 H new ATOM 0 HE2 HIS A 601 32.485 -2.156 -6.743 1.00 0.00 H new ATOM 1068 N GLU A 602 37.151 -2.368 -3.121 1.00 0.00 N ATOM 1069 CA GLU A 602 38.118 -1.422 -3.709 1.00 0.00 C ATOM 1070 C GLU A 602 39.525 -2.026 -3.909 1.00 0.00 C ATOM 1071 O GLU A 602 40.197 -1.733 -4.901 1.00 0.00 O ATOM 1072 CB GLU A 602 38.222 -0.166 -2.823 1.00 0.00 C ATOM 1073 CG GLU A 602 36.997 0.759 -2.913 1.00 0.00 C ATOM 1074 CD GLU A 602 36.779 1.381 -4.312 1.00 0.00 C ATOM 1075 OE1 GLU A 602 37.765 1.765 -4.989 1.00 0.00 O ATOM 1076 OE2 GLU A 602 35.606 1.522 -4.736 1.00 0.00 O ATOM 0 H GLU A 602 36.878 -2.130 -2.168 1.00 0.00 H new ATOM 0 HA GLU A 602 37.739 -1.167 -4.699 1.00 0.00 H new ATOM 0 HB2 GLU A 602 38.358 -0.474 -1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 602 39.112 0.396 -3.108 1.00 0.00 H new ATOM 0 HG2 GLU A 602 36.107 0.194 -2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 602 37.106 1.561 -2.183 1.00 0.00 H new ATOM 1083 N THR A 603 39.980 -2.878 -2.983 1.00 0.00 N ATOM 1084 CA THR A 603 41.328 -3.482 -3.005 1.00 0.00 C ATOM 1085 C THR A 603 41.437 -4.628 -4.016 1.00 0.00 C ATOM 1086 O THR A 603 42.395 -4.682 -4.792 1.00 0.00 O ATOM 1087 CB THR A 603 41.727 -3.945 -1.593 1.00 0.00 C ATOM 1088 OG1 THR A 603 41.800 -2.817 -0.750 1.00 0.00 O ATOM 1089 CG2 THR A 603 43.096 -4.627 -1.525 1.00 0.00 C ATOM 0 H THR A 603 39.419 -3.175 -2.184 1.00 0.00 H new ATOM 0 HA THR A 603 42.027 -2.713 -3.333 1.00 0.00 H new ATOM 0 HB THR A 603 40.970 -4.668 -1.289 1.00 0.00 H new ATOM 0 HG1 THR A 603 40.900 -2.579 -0.443 1.00 0.00 H new ATOM 0 HG21 THR A 603 43.304 -4.924 -0.497 1.00 0.00 H new ATOM 0 HG22 THR A 603 43.095 -5.510 -2.164 1.00 0.00 H new ATOM 0 HG23 THR A 603 43.865 -3.934 -1.865 1.00 0.00 H new ATOM 1097 N SER A 604 40.450 -5.528 -4.049 1.00 0.00 N ATOM 1098 CA SER A 604 40.358 -6.662 -4.977 1.00 0.00 C ATOM 1099 C SER A 604 39.807 -6.226 -6.350 1.00 0.00 C ATOM 1100 O SER A 604 38.774 -6.700 -6.832 1.00 0.00 O ATOM 1101 CB SER A 604 39.553 -7.805 -4.333 1.00 0.00 C ATOM 1102 OG SER A 604 39.730 -9.018 -5.052 1.00 0.00 O ATOM 0 H SER A 604 39.661 -5.486 -3.404 1.00 0.00 H new ATOM 0 HA SER A 604 41.360 -7.045 -5.173 1.00 0.00 H new ATOM 0 HB2 SER A 604 39.870 -7.941 -3.299 1.00 0.00 H new ATOM 0 HB3 SER A 604 38.495 -7.542 -4.310 1.00 0.00 H new ATOM 0 HG SER A 604 39.211 -9.731 -4.624 1.00 0.00 H new ATOM 1108 N GLN A 605 40.474 -5.245 -6.965 1.00 0.00 N ATOM 1109 CA GLN A 605 40.058 -4.623 -8.228 1.00 0.00 C ATOM 1110 C GLN A 605 40.116 -5.592 -9.428 1.00 0.00 C ATOM 1111 O GLN A 605 40.945 -6.503 -9.472 1.00 0.00 O ATOM 1112 CB GLN A 605 40.862 -3.328 -8.460 1.00 0.00 C ATOM 1113 CG GLN A 605 42.362 -3.517 -8.774 1.00 0.00 C ATOM 1114 CD GLN A 605 42.691 -3.767 -10.251 1.00 0.00 C ATOM 1115 OE1 GLN A 605 43.410 -4.691 -10.612 1.00 0.00 O ATOM 1116 NE2 GLN A 605 42.191 -2.963 -11.168 1.00 0.00 N ATOM 0 H GLN A 605 41.338 -4.852 -6.591 1.00 0.00 H new ATOM 0 HA GLN A 605 39.004 -4.358 -8.143 1.00 0.00 H new ATOM 0 HB2 GLN A 605 40.404 -2.780 -9.284 1.00 0.00 H new ATOM 0 HB3 GLN A 605 40.772 -2.702 -7.572 1.00 0.00 H new ATOM 0 HG2 GLN A 605 42.901 -2.629 -8.443 1.00 0.00 H new ATOM 0 HG3 GLN A 605 42.737 -4.355 -8.187 1.00 0.00 H new ATOM 0 HE21 GLN A 605 41.590 -2.187 -10.892 1.00 0.00 H new ATOM 0 HE22 GLN A 605 42.405 -3.117 -12.153 1.00 0.00 H new ATOM 1125 N ASN A 606 39.237 -5.368 -10.412 1.00 0.00 N ATOM 1126 CA ASN A 606 39.040 -6.183 -11.617 1.00 0.00 C ATOM 1127 C ASN A 606 38.767 -7.678 -11.322 1.00 0.00 C ATOM 1128 O ASN A 606 37.610 -8.062 -11.132 1.00 0.00 O ATOM 1129 CB ASN A 606 40.166 -5.906 -12.634 1.00 0.00 C ATOM 1130 CG ASN A 606 39.952 -6.603 -13.971 1.00 0.00 C ATOM 1131 OD1 ASN A 606 38.840 -6.873 -14.404 1.00 0.00 O ATOM 1132 ND2 ASN A 606 41.015 -6.927 -14.670 1.00 0.00 N ATOM 0 H ASN A 606 38.607 -4.566 -10.387 1.00 0.00 H new ATOM 0 HA ASN A 606 38.110 -5.871 -12.093 1.00 0.00 H new ATOM 0 HB2 ASN A 606 40.241 -4.831 -12.800 1.00 0.00 H new ATOM 0 HB3 ASN A 606 41.117 -6.230 -12.211 1.00 0.00 H new ATOM 0 HD21 ASN A 606 40.910 -7.400 -15.567 1.00 0.00 H new ATOM 0 HD22 ASN A 606 41.945 -6.705 -14.316 1.00 0.00 H new ATOM 1139 N SER A 607 39.807 -8.520 -11.280 1.00 0.00 N ATOM 1140 CA SER A 607 39.736 -9.958 -10.970 1.00 0.00 C ATOM 1141 C SER A 607 41.089 -10.482 -10.451 1.00 0.00 C ATOM 1142 O SER A 607 42.146 -10.055 -10.930 1.00 0.00 O ATOM 1143 CB SER A 607 39.305 -10.739 -12.219 1.00 0.00 C ATOM 1144 OG SER A 607 39.103 -12.115 -11.931 1.00 0.00 O ATOM 0 H SER A 607 40.760 -8.208 -11.468 1.00 0.00 H new ATOM 0 HA SER A 607 38.997 -10.104 -10.183 1.00 0.00 H new ATOM 0 HB2 SER A 607 38.385 -10.311 -12.617 1.00 0.00 H new ATOM 0 HB3 SER A 607 40.065 -10.636 -12.993 1.00 0.00 H new ATOM 0 HG SER A 607 38.828 -12.583 -12.747 1.00 0.00 H new ATOM 1150 N SER A 608 41.063 -11.384 -9.459 1.00 0.00 N ATOM 1151 CA SER A 608 42.247 -11.984 -8.802 1.00 0.00 C ATOM 1152 C SER A 608 42.994 -13.013 -9.672 1.00 0.00 C ATOM 1153 O SER A 608 42.359 -13.946 -10.220 1.00 0.00 O ATOM 1154 CB SER A 608 41.848 -12.578 -7.445 1.00 0.00 C ATOM 1155 OG SER A 608 40.772 -13.496 -7.586 1.00 0.00 O ATOM 1156 OXT SER A 608 44.237 -12.900 -9.791 1.00 0.00 O ATOM 0 H SER A 608 40.186 -11.733 -9.073 1.00 0.00 H new ATOM 0 HA SER A 608 42.962 -11.176 -8.648 1.00 0.00 H new ATOM 0 HB2 SER A 608 42.705 -13.083 -6.999 1.00 0.00 H new ATOM 0 HB3 SER A 608 41.560 -11.777 -6.764 1.00 0.00 H new ATOM 0 HG SER A 608 40.939 -14.080 -8.355 1.00 0.00 H new TER 1162 SER A 608 HETATM 1163 ZN ZN A 701 38.617 -0.802 6.131 1.00 0.00 ZN