USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 637 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 Set 1.1: A 619 THR OG1 : rot 39:sc= 0.14 USER MOD Set 1.2: A 622 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 612 SER OG : rot -95:sc= 0.373 USER MOD Set 2.2: A 615 HIS : no HE2:sc= 0.755 K(o=1.1,f=-4.4!) USER MOD Set 3.1: A 547 CYS SG : rot 169:sc= 0.919 USER MOD Set 3.2: A 574 TYR OH : rot -65:sc= 0.0829 USER MOD Set 3.3: A 604 HIS : no HE2:sc=-9.7e-05 K(o=1,f=-2.7) USER MOD Set 4.1: A 581 MET CE :methyl 162:sc= -2.72! (180deg=-4.3!) USER MOD Set 4.2: A 595 HIS :FLIP no HD1:sc= -0.335 F(o=-4.8,f=-3.1) USER MOD Set 5.1: A 548 SER OG : rot 180:sc= 0.32 USER MOD Set 5.2: A 551 SER OG : rot -79:sc= 0.00286 USER MOD Single : A 542 SER OG : rot 180:sc= 0 USER MOD Single : A 543 TYR OH : rot 180:sc= 0 USER MOD Single : A 545 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 558 CYS SG : rot -5:sc= -0.214 USER MOD Single : A 559 SER OG : rot 180:sc= 0 USER MOD Single : A 560 SER OG : rot 180:sc= 0 USER MOD Single : A 561 CYS SG : rot -79:sc= -4.13 USER MOD Single : A 564 TYR OH : rot 180:sc= 0 USER MOD Single : A 566 THR OG1 : rot 30:sc= -0.0689 USER MOD Single : A 567 THR OG1 : rot 36:sc= -1.32 USER MOD Single : A 568 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 571 THR OG1 : rot 180:sc= 0 USER MOD Single : A 572 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 575 GLN : amide:sc= 0.253 X(o=0.25,f=0) USER MOD Single : A 578 HIS :FLIP no HD1:sc= -0.552 F(o=-1.4,f=-0.55) USER MOD Single : A 579 TYR OH : rot -9:sc= -4.78! USER MOD Single : A 580 SER OG : rot -80:sc= 1.19 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 592 GLN : amide:sc= -0.0535 X(o=-0.053,f=0) USER MOD Single : A 599 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0524) USER MOD Single : A 606 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.0053) USER MOD Single : A 608 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 611 SER OG : rot 30:sc= 0.0166 USER MOD Single : A 614 SER OG : rot 180:sc= 0 USER MOD Single : A 621 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 541 13.756 6.982 -4.858 1.00 0.00 N ATOM 2 CA GLY A 541 14.315 7.229 -3.500 1.00 0.00 C ATOM 3 C GLY A 541 13.882 8.564 -2.928 1.00 0.00 C ATOM 4 O GLY A 541 14.127 9.612 -3.527 1.00 0.00 O ATOM 0 HA2 GLY A 541 13.998 6.430 -2.829 1.00 0.00 H new ATOM 0 HA3 GLY A 541 15.403 7.193 -3.547 1.00 0.00 H new ATOM 9 N SER A 542 13.236 8.528 -1.768 1.00 0.00 N ATOM 10 CA SER A 542 12.767 9.745 -1.115 1.00 0.00 C ATOM 11 C SER A 542 13.026 9.691 0.388 1.00 0.00 C ATOM 12 O SER A 542 12.326 8.994 1.123 1.00 0.00 O ATOM 13 CB SER A 542 11.274 9.947 -1.380 1.00 0.00 C ATOM 14 OG SER A 542 10.971 11.320 -1.563 1.00 0.00 O ATOM 0 H SER A 542 13.025 7.669 -1.260 1.00 0.00 H new ATOM 0 HA SER A 542 13.320 10.587 -1.530 1.00 0.00 H new ATOM 0 HB2 SER A 542 10.979 9.385 -2.266 1.00 0.00 H new ATOM 0 HB3 SER A 542 10.696 9.552 -0.545 1.00 0.00 H new ATOM 0 HG SER A 542 10.011 11.423 -1.733 1.00 0.00 H new ATOM 20 N TYR A 543 14.035 10.430 0.837 1.00 0.00 N ATOM 21 CA TYR A 543 14.382 10.465 2.253 1.00 0.00 C ATOM 22 C TYR A 543 13.520 11.475 3.013 1.00 0.00 C ATOM 23 O TYR A 543 13.005 11.168 4.089 1.00 0.00 O ATOM 24 CB TYR A 543 15.867 10.799 2.433 1.00 0.00 C ATOM 25 CG TYR A 543 16.792 9.659 2.071 1.00 0.00 C ATOM 26 CD1 TYR A 543 17.430 8.916 3.056 1.00 0.00 C ATOM 27 CD2 TYR A 543 17.028 9.328 0.742 1.00 0.00 C ATOM 28 CE1 TYR A 543 18.277 7.875 2.727 1.00 0.00 C ATOM 29 CE2 TYR A 543 17.874 8.288 0.406 1.00 0.00 C ATOM 30 CZ TYR A 543 18.495 7.565 1.402 1.00 0.00 C ATOM 31 OH TYR A 543 19.339 6.529 1.070 1.00 0.00 O ATOM 0 H TYR A 543 14.626 11.011 0.242 1.00 0.00 H new ATOM 0 HA TYR A 543 14.188 9.475 2.666 1.00 0.00 H new ATOM 0 HB2 TYR A 543 16.113 11.665 1.818 1.00 0.00 H new ATOM 0 HB3 TYR A 543 16.044 11.084 3.470 1.00 0.00 H new ATOM 0 HD1 TYR A 543 17.261 9.156 4.095 1.00 0.00 H new ATOM 0 HD2 TYR A 543 16.543 9.892 -0.041 1.00 0.00 H new ATOM 0 HE1 TYR A 543 18.766 7.307 3.505 1.00 0.00 H new ATOM 0 HE2 TYR A 543 18.048 8.043 -0.631 1.00 0.00 H new ATOM 0 HH TYR A 543 19.382 6.442 0.095 1.00 0.00 H new ATOM 41 N PRO A 544 13.345 12.695 2.469 1.00 0.00 N ATOM 42 CA PRO A 544 12.534 13.734 3.115 1.00 0.00 C ATOM 43 C PRO A 544 11.072 13.322 3.249 1.00 0.00 C ATOM 44 O PRO A 544 10.432 12.947 2.267 1.00 0.00 O ATOM 45 CB PRO A 544 12.663 14.942 2.176 1.00 0.00 C ATOM 46 CG PRO A 544 13.854 14.654 1.327 1.00 0.00 C ATOM 47 CD PRO A 544 13.911 13.161 1.192 1.00 0.00 C ATOM 0 HA PRO A 544 12.874 13.936 4.131 1.00 0.00 H new ATOM 0 HB2 PRO A 544 11.767 15.065 1.568 1.00 0.00 H new ATOM 0 HB3 PRO A 544 12.795 15.866 2.739 1.00 0.00 H new ATOM 0 HG2 PRO A 544 13.763 15.131 0.351 1.00 0.00 H new ATOM 0 HG3 PRO A 544 14.764 15.040 1.787 1.00 0.00 H new ATOM 0 HD2 PRO A 544 13.329 12.810 0.340 1.00 0.00 H new ATOM 0 HD3 PRO A 544 14.932 12.807 1.049 1.00 0.00 H new ATOM 55 N THR A 545 10.549 13.391 4.473 1.00 0.00 N ATOM 56 CA THR A 545 9.158 13.023 4.743 1.00 0.00 C ATOM 57 C THR A 545 8.970 11.505 4.756 1.00 0.00 C ATOM 58 O THR A 545 7.864 11.013 4.981 1.00 0.00 O ATOM 59 CB THR A 545 8.231 13.643 3.699 1.00 0.00 C ATOM 60 OG1 THR A 545 8.657 14.952 3.363 1.00 0.00 O ATOM 61 CG2 THR A 545 6.791 13.730 4.154 1.00 0.00 C ATOM 0 H THR A 545 11.068 13.699 5.295 1.00 0.00 H new ATOM 0 HA THR A 545 8.905 13.408 5.731 1.00 0.00 H new ATOM 0 HB THR A 545 8.282 12.979 2.836 1.00 0.00 H new ATOM 0 HG1 THR A 545 8.052 15.331 2.692 1.00 0.00 H new ATOM 0 HG21 THR A 545 6.187 14.180 3.366 1.00 0.00 H new ATOM 0 HG22 THR A 545 6.417 12.730 4.372 1.00 0.00 H new ATOM 0 HG23 THR A 545 6.730 14.344 5.053 1.00 0.00 H new ATOM 69 N ASP A 546 10.050 10.768 4.510 1.00 0.00 N ATOM 70 CA ASP A 546 10.002 9.310 4.490 1.00 0.00 C ATOM 71 C ASP A 546 9.139 8.809 3.340 1.00 0.00 C ATOM 72 O ASP A 546 8.521 9.596 2.622 1.00 0.00 O ATOM 73 CB ASP A 546 9.462 8.766 5.816 1.00 0.00 C ATOM 74 CG ASP A 546 10.569 8.446 6.802 1.00 0.00 C ATOM 75 OD1 ASP A 546 10.392 7.513 7.611 1.00 0.00 O ATOM 76 OD2 ASP A 546 11.614 9.129 6.762 1.00 0.00 O ATOM 0 H ASP A 546 10.973 11.159 4.321 1.00 0.00 H new ATOM 0 HA ASP A 546 11.020 8.948 4.347 1.00 0.00 H new ATOM 0 HB2 ASP A 546 8.786 9.498 6.258 1.00 0.00 H new ATOM 0 HB3 ASP A 546 8.877 7.866 5.625 1.00 0.00 H new ATOM 81 N CYS A 547 9.102 7.493 3.172 1.00 0.00 N ATOM 82 CA CYS A 547 8.317 6.878 2.113 1.00 0.00 C ATOM 83 C CYS A 547 6.828 6.902 2.459 1.00 0.00 C ATOM 84 O CYS A 547 6.379 6.229 3.388 1.00 0.00 O ATOM 85 CB CYS A 547 8.793 5.444 1.878 1.00 0.00 C ATOM 86 SG CYS A 547 10.579 5.292 1.635 1.00 0.00 S ATOM 0 H CYS A 547 9.609 6.830 3.759 1.00 0.00 H new ATOM 0 HA CYS A 547 8.458 7.450 1.196 1.00 0.00 H new ATOM 0 HB2 CYS A 547 8.499 4.830 2.730 1.00 0.00 H new ATOM 0 HB3 CYS A 547 8.282 5.041 1.003 1.00 0.00 H new ATOM 0 HG CYS A 547 10.917 4.038 1.677 1.00 0.00 H new ATOM 92 N SER A 548 6.071 7.694 1.707 1.00 0.00 N ATOM 93 CA SER A 548 4.634 7.828 1.926 1.00 0.00 C ATOM 94 C SER A 548 3.842 7.018 0.908 1.00 0.00 C ATOM 95 O SER A 548 4.324 6.746 -0.189 1.00 0.00 O ATOM 96 CB SER A 548 4.221 9.299 1.821 1.00 0.00 C ATOM 97 OG SER A 548 4.235 9.733 0.471 1.00 0.00 O ATOM 0 H SER A 548 6.431 8.256 0.936 1.00 0.00 H new ATOM 0 HA SER A 548 4.415 7.449 2.924 1.00 0.00 H new ATOM 0 HB2 SER A 548 3.223 9.432 2.240 1.00 0.00 H new ATOM 0 HB3 SER A 548 4.899 9.914 2.412 1.00 0.00 H new ATOM 0 HG SER A 548 3.967 10.675 0.427 1.00 0.00 H new ATOM 103 N ILE A 549 2.612 6.662 1.269 1.00 0.00 N ATOM 104 CA ILE A 549 1.743 5.913 0.370 1.00 0.00 C ATOM 105 C ILE A 549 1.402 6.768 -0.846 1.00 0.00 C ATOM 106 O ILE A 549 1.154 6.253 -1.935 1.00 0.00 O ATOM 107 CB ILE A 549 0.427 5.496 1.058 1.00 0.00 C ATOM 108 CG1 ILE A 549 0.704 4.845 2.420 1.00 0.00 C ATOM 109 CG2 ILE A 549 -0.370 4.563 0.155 1.00 0.00 C ATOM 110 CD1 ILE A 549 1.051 3.372 2.343 1.00 0.00 C ATOM 0 H ILE A 549 2.197 6.880 2.175 1.00 0.00 H new ATOM 0 HA ILE A 549 2.281 5.013 0.073 1.00 0.00 H new ATOM 0 HB ILE A 549 -0.169 6.391 1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 549 1.524 5.376 2.904 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -0.174 4.968 3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -1.296 4.277 0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -0.604 5.073 -0.780 1.00 0.00 H new ATOM 0 HG23 ILE A 549 0.219 3.670 -0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 549 1.232 2.988 3.347 1.00 0.00 H new ATOM 0 HD12 ILE A 549 0.223 2.826 1.890 1.00 0.00 H new ATOM 0 HD13 ILE A 549 1.947 3.241 1.737 1.00 0.00 H new ATOM 122 N VAL A 550 1.391 8.085 -0.641 1.00 0.00 N ATOM 123 CA VAL A 550 1.082 9.033 -1.704 1.00 0.00 C ATOM 124 C VAL A 550 2.131 8.971 -2.811 1.00 0.00 C ATOM 125 O VAL A 550 1.796 8.854 -3.990 1.00 0.00 O ATOM 126 CB VAL A 550 0.999 10.470 -1.143 1.00 0.00 C ATOM 127 CG1 VAL A 550 0.984 11.501 -2.262 1.00 0.00 C ATOM 128 CG2 VAL A 550 -0.225 10.620 -0.254 1.00 0.00 C ATOM 0 H VAL A 550 1.594 8.519 0.259 1.00 0.00 H new ATOM 0 HA VAL A 550 0.114 8.759 -2.124 1.00 0.00 H new ATOM 0 HB VAL A 550 1.890 10.650 -0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 550 0.925 12.502 -1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 550 1.897 11.412 -2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 550 0.120 11.329 -2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 550 -0.270 11.638 0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 550 -1.124 10.413 -0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 550 -0.160 9.917 0.577 1.00 0.00 H new ATOM 138 N SER A 551 3.402 9.037 -2.426 1.00 0.00 N ATOM 139 CA SER A 551 4.491 8.973 -3.394 1.00 0.00 C ATOM 140 C SER A 551 4.712 7.531 -3.829 1.00 0.00 C ATOM 141 O SER A 551 4.993 7.251 -4.994 1.00 0.00 O ATOM 142 CB SER A 551 5.776 9.544 -2.792 1.00 0.00 C ATOM 143 OG SER A 551 6.305 8.679 -1.801 1.00 0.00 O ATOM 0 H SER A 551 3.702 9.134 -1.456 1.00 0.00 H new ATOM 0 HA SER A 551 4.222 9.571 -4.265 1.00 0.00 H new ATOM 0 HB2 SER A 551 6.514 9.694 -3.580 1.00 0.00 H new ATOM 0 HB3 SER A 551 5.573 10.522 -2.355 1.00 0.00 H new ATOM 0 HG SER A 551 5.810 8.799 -0.964 1.00 0.00 H new ATOM 149 N PHE A 552 4.565 6.622 -2.873 1.00 0.00 N ATOM 150 CA PHE A 552 4.727 5.198 -3.125 1.00 0.00 C ATOM 151 C PHE A 552 3.722 4.725 -4.172 1.00 0.00 C ATOM 152 O PHE A 552 4.074 4.006 -5.107 1.00 0.00 O ATOM 153 CB PHE A 552 4.549 4.428 -1.811 1.00 0.00 C ATOM 154 CG PHE A 552 4.134 2.995 -1.976 1.00 0.00 C ATOM 155 CD1 PHE A 552 3.079 2.489 -1.237 1.00 0.00 C ATOM 156 CD2 PHE A 552 4.792 2.161 -2.862 1.00 0.00 C ATOM 157 CE1 PHE A 552 2.687 1.176 -1.376 1.00 0.00 C ATOM 158 CE2 PHE A 552 4.403 0.842 -3.008 1.00 0.00 C ATOM 159 CZ PHE A 552 3.350 0.349 -2.263 1.00 0.00 C ATOM 0 H PHE A 552 4.331 6.851 -1.907 1.00 0.00 H new ATOM 0 HA PHE A 552 5.728 5.010 -3.514 1.00 0.00 H new ATOM 0 HB2 PHE A 552 5.487 4.459 -1.257 1.00 0.00 H new ATOM 0 HB3 PHE A 552 3.803 4.941 -1.203 1.00 0.00 H new ATOM 0 HD1 PHE A 552 2.557 3.131 -0.543 1.00 0.00 H new ATOM 0 HD2 PHE A 552 5.617 2.543 -3.445 1.00 0.00 H new ATOM 0 HE1 PHE A 552 1.863 0.793 -0.793 1.00 0.00 H new ATOM 0 HE2 PHE A 552 4.922 0.199 -3.703 1.00 0.00 H new ATOM 0 HZ PHE A 552 3.045 -0.681 -2.373 1.00 0.00 H new ATOM 169 N LEU A 553 2.471 5.140 -4.008 1.00 0.00 N ATOM 170 CA LEU A 553 1.413 4.768 -4.938 1.00 0.00 C ATOM 171 C LEU A 553 1.552 5.539 -6.245 1.00 0.00 C ATOM 172 O LEU A 553 1.331 4.993 -7.326 1.00 0.00 O ATOM 173 CB LEU A 553 0.039 5.033 -4.321 1.00 0.00 C ATOM 174 CG LEU A 553 -0.417 4.002 -3.288 1.00 0.00 C ATOM 175 CD1 LEU A 553 -1.821 4.322 -2.799 1.00 0.00 C ATOM 176 CD2 LEU A 553 -0.362 2.600 -3.875 1.00 0.00 C ATOM 0 H LEU A 553 2.165 5.735 -3.238 1.00 0.00 H new ATOM 0 HA LEU A 553 1.505 3.702 -5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 553 0.053 6.016 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 553 -0.700 5.074 -5.121 1.00 0.00 H new ATOM 0 HG LEU A 553 0.261 4.045 -2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 553 -2.129 3.578 -2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 553 -1.830 5.310 -2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 553 -2.512 4.307 -3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 553 -0.690 1.879 -3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 553 -1.017 2.544 -4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 553 0.660 2.371 -4.176 1.00 0.00 H new ATOM 188 N ALA A 554 1.927 6.811 -6.138 1.00 0.00 N ATOM 189 CA ALA A 554 2.102 7.657 -7.312 1.00 0.00 C ATOM 190 C ALA A 554 3.096 7.036 -8.285 1.00 0.00 C ATOM 191 O ALA A 554 2.925 7.117 -9.502 1.00 0.00 O ATOM 192 CB ALA A 554 2.560 9.047 -6.898 1.00 0.00 C ATOM 0 H ALA A 554 2.115 7.277 -5.250 1.00 0.00 H new ATOM 0 HA ALA A 554 1.140 7.743 -7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 554 2.687 9.668 -7.785 1.00 0.00 H new ATOM 0 HB2 ALA A 554 1.813 9.497 -6.244 1.00 0.00 H new ATOM 0 HB3 ALA A 554 3.509 8.974 -6.368 1.00 0.00 H new ATOM 198 N ARG A 555 4.133 6.412 -7.739 1.00 0.00 N ATOM 199 CA ARG A 555 5.156 5.769 -8.557 1.00 0.00 C ATOM 200 C ARG A 555 4.589 4.544 -9.269 1.00 0.00 C ATOM 201 O ARG A 555 5.059 4.168 -10.344 1.00 0.00 O ATOM 202 CB ARG A 555 6.352 5.363 -7.692 1.00 0.00 C ATOM 203 CG ARG A 555 7.451 6.412 -7.640 1.00 0.00 C ATOM 204 CD ARG A 555 8.832 5.776 -7.673 1.00 0.00 C ATOM 205 NE ARG A 555 9.896 6.775 -7.628 1.00 0.00 N ATOM 206 CZ ARG A 555 10.301 7.380 -6.513 1.00 0.00 C ATOM 207 NH1 ARG A 555 9.732 7.090 -5.349 1.00 0.00 N ATOM 208 NH2 ARG A 555 11.276 8.276 -6.561 1.00 0.00 N ATOM 0 H ARG A 555 4.288 6.337 -6.734 1.00 0.00 H new ATOM 0 HA ARG A 555 5.488 6.485 -9.309 1.00 0.00 H new ATOM 0 HB2 ARG A 555 6.005 5.162 -6.678 1.00 0.00 H new ATOM 0 HB3 ARG A 555 6.768 4.432 -8.077 1.00 0.00 H new ATOM 0 HG2 ARG A 555 7.344 7.095 -8.483 1.00 0.00 H new ATOM 0 HG3 ARG A 555 7.345 7.007 -6.733 1.00 0.00 H new ATOM 0 HD2 ARG A 555 8.938 5.095 -6.828 1.00 0.00 H new ATOM 0 HD3 ARG A 555 8.934 5.178 -8.579 1.00 0.00 H new ATOM 0 HE ARG A 555 10.357 7.024 -8.503 1.00 0.00 H new ATOM 0 HH11 ARG A 555 8.981 6.401 -5.306 1.00 0.00 H new ATOM 0 HH12 ARG A 555 10.046 7.556 -4.498 1.00 0.00 H new ATOM 0 HH21 ARG A 555 11.717 8.503 -7.452 1.00 0.00 H new ATOM 0 HH22 ARG A 555 11.586 8.739 -5.707 1.00 0.00 H new ATOM 222 N LEU A 556 3.579 3.925 -8.664 1.00 0.00 N ATOM 223 CA LEU A 556 2.950 2.742 -9.244 1.00 0.00 C ATOM 224 C LEU A 556 1.702 3.114 -10.041 1.00 0.00 C ATOM 225 O LEU A 556 1.228 2.332 -10.864 1.00 0.00 O ATOM 226 CB LEU A 556 2.586 1.744 -8.141 1.00 0.00 C ATOM 227 CG LEU A 556 3.674 1.515 -7.092 1.00 0.00 C ATOM 228 CD1 LEU A 556 3.065 1.005 -5.795 1.00 0.00 C ATOM 229 CD2 LEU A 556 4.718 0.538 -7.614 1.00 0.00 C ATOM 0 H LEU A 556 3.179 4.222 -7.774 1.00 0.00 H new ATOM 0 HA LEU A 556 3.665 2.281 -9.926 1.00 0.00 H new ATOM 0 HB2 LEU A 556 1.685 2.095 -7.638 1.00 0.00 H new ATOM 0 HB3 LEU A 556 2.341 0.788 -8.603 1.00 0.00 H new ATOM 0 HG LEU A 556 4.165 2.467 -6.889 1.00 0.00 H new ATOM 0 HD11 LEU A 556 3.854 0.848 -5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 556 2.355 1.738 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 556 2.549 0.063 -5.981 1.00 0.00 H new ATOM 0 HD21 LEU A 556 5.486 0.386 -6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 556 4.242 -0.415 -7.844 1.00 0.00 H new ATOM 0 HD23 LEU A 556 5.176 0.942 -8.517 1.00 0.00 H new ATOM 241 N GLY A 557 1.173 4.309 -9.793 1.00 0.00 N ATOM 242 CA GLY A 557 -0.013 4.755 -10.499 1.00 0.00 C ATOM 243 C GLY A 557 -1.292 4.228 -9.880 1.00 0.00 C ATOM 244 O GLY A 557 -2.195 3.783 -10.589 1.00 0.00 O ATOM 0 H GLY A 557 1.545 4.975 -9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -0.039 5.845 -10.506 1.00 0.00 H new ATOM 0 HA3 GLY A 557 0.044 4.431 -11.538 1.00 0.00 H new ATOM 248 N CYS A 558 -1.371 4.275 -8.553 1.00 0.00 N ATOM 249 CA CYS A 558 -2.552 3.796 -7.841 1.00 0.00 C ATOM 250 C CYS A 558 -2.851 4.673 -6.628 1.00 0.00 C ATOM 251 O CYS A 558 -3.172 4.171 -5.550 1.00 0.00 O ATOM 252 CB CYS A 558 -2.353 2.345 -7.400 1.00 0.00 C ATOM 253 SG CYS A 558 -1.956 1.211 -8.751 1.00 0.00 S ATOM 0 H CYS A 558 -0.633 4.639 -7.950 1.00 0.00 H new ATOM 0 HA CYS A 558 -3.402 3.849 -8.522 1.00 0.00 H new ATOM 0 HB2 CYS A 558 -1.552 2.308 -6.661 1.00 0.00 H new ATOM 0 HB3 CYS A 558 -3.260 1.999 -6.905 1.00 0.00 H new ATOM 0 HG CYS A 558 -2.013 1.848 -9.883 1.00 0.00 H new ATOM 259 N SER A 559 -2.743 5.984 -6.811 1.00 0.00 N ATOM 260 CA SER A 559 -3.003 6.931 -5.732 1.00 0.00 C ATOM 261 C SER A 559 -4.449 6.835 -5.255 1.00 0.00 C ATOM 262 O SER A 559 -4.750 7.121 -4.096 1.00 0.00 O ATOM 263 CB SER A 559 -2.699 8.357 -6.195 1.00 0.00 C ATOM 264 OG SER A 559 -2.054 9.098 -5.173 1.00 0.00 O ATOM 0 H SER A 559 -2.477 6.416 -7.696 1.00 0.00 H new ATOM 0 HA SER A 559 -2.349 6.679 -4.897 1.00 0.00 H new ATOM 0 HB2 SER A 559 -2.066 8.328 -7.082 1.00 0.00 H new ATOM 0 HB3 SER A 559 -3.625 8.855 -6.481 1.00 0.00 H new ATOM 0 HG SER A 559 -1.869 10.005 -5.494 1.00 0.00 H new ATOM 270 N SER A 560 -5.342 6.430 -6.152 1.00 0.00 N ATOM 271 CA SER A 560 -6.755 6.298 -5.819 1.00 0.00 C ATOM 272 C SER A 560 -6.963 5.291 -4.690 1.00 0.00 C ATOM 273 O SER A 560 -7.980 5.324 -3.996 1.00 0.00 O ATOM 274 CB SER A 560 -7.552 5.868 -7.052 1.00 0.00 C ATOM 275 OG SER A 560 -8.939 5.806 -6.768 1.00 0.00 O ATOM 0 H SER A 560 -5.112 6.187 -7.116 1.00 0.00 H new ATOM 0 HA SER A 560 -7.112 7.271 -5.481 1.00 0.00 H new ATOM 0 HB2 SER A 560 -7.376 6.571 -7.866 1.00 0.00 H new ATOM 0 HB3 SER A 560 -7.203 4.893 -7.392 1.00 0.00 H new ATOM 0 HG SER A 560 -9.426 5.530 -7.573 1.00 0.00 H new ATOM 281 N CYS A 561 -5.996 4.393 -4.512 1.00 0.00 N ATOM 282 CA CYS A 561 -6.079 3.376 -3.471 1.00 0.00 C ATOM 283 C CYS A 561 -5.804 3.966 -2.088 1.00 0.00 C ATOM 284 O CYS A 561 -6.165 3.374 -1.072 1.00 0.00 O ATOM 285 CB CYS A 561 -5.092 2.242 -3.755 1.00 0.00 C ATOM 286 SG CYS A 561 -5.352 1.420 -5.345 1.00 0.00 S ATOM 0 H CYS A 561 -5.147 4.351 -5.076 1.00 0.00 H new ATOM 0 HA CYS A 561 -7.095 2.981 -3.477 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -4.078 2.641 -3.726 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -5.166 1.502 -2.959 1.00 0.00 H new ATOM 0 HG CYS A 561 -6.341 0.582 -5.244 1.00 0.00 H new ATOM 292 N LEU A 562 -5.158 5.131 -2.053 1.00 0.00 N ATOM 293 CA LEU A 562 -4.833 5.784 -0.787 1.00 0.00 C ATOM 294 C LEU A 562 -6.060 5.896 0.113 1.00 0.00 C ATOM 295 O LEU A 562 -5.964 5.720 1.327 1.00 0.00 O ATOM 296 CB LEU A 562 -4.243 7.175 -1.033 1.00 0.00 C ATOM 297 CG LEU A 562 -3.070 7.543 -0.122 1.00 0.00 C ATOM 298 CD1 LEU A 562 -1.750 7.369 -0.856 1.00 0.00 C ATOM 299 CD2 LEU A 562 -3.211 8.968 0.391 1.00 0.00 C ATOM 0 H LEU A 562 -4.851 5.639 -2.882 1.00 0.00 H new ATOM 0 HA LEU A 562 -4.092 5.165 -0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -3.913 7.236 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -5.031 7.917 -0.905 1.00 0.00 H new ATOM 0 HG LEU A 562 -3.080 6.870 0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -0.927 7.635 -0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -1.642 6.331 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -1.733 8.016 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -2.366 9.208 1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -3.230 9.658 -0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -4.138 9.061 0.957 1.00 0.00 H new ATOM 311 N ASP A 563 -7.211 6.185 -0.484 1.00 0.00 N ATOM 312 CA ASP A 563 -8.451 6.317 0.275 1.00 0.00 C ATOM 313 C ASP A 563 -8.686 5.091 1.150 1.00 0.00 C ATOM 314 O ASP A 563 -9.176 5.202 2.274 1.00 0.00 O ATOM 315 CB ASP A 563 -9.636 6.515 -0.673 1.00 0.00 C ATOM 316 CG ASP A 563 -9.686 7.916 -1.250 1.00 0.00 C ATOM 317 OD1 ASP A 563 -9.375 8.875 -0.512 1.00 0.00 O ATOM 318 OD2 ASP A 563 -10.035 8.055 -2.441 1.00 0.00 O ATOM 0 H ASP A 563 -7.312 6.332 -1.488 1.00 0.00 H new ATOM 0 HA ASP A 563 -8.361 7.191 0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 563 -9.572 5.792 -1.486 1.00 0.00 H new ATOM 0 HB3 ASP A 563 -10.564 6.312 -0.138 1.00 0.00 H new ATOM 323 N TYR A 564 -8.329 3.923 0.629 1.00 0.00 N ATOM 324 CA TYR A 564 -8.493 2.679 1.359 1.00 0.00 C ATOM 325 C TYR A 564 -7.502 2.591 2.515 1.00 0.00 C ATOM 326 O TYR A 564 -7.805 2.020 3.563 1.00 0.00 O ATOM 327 CB TYR A 564 -8.300 1.494 0.415 1.00 0.00 C ATOM 328 CG TYR A 564 -9.166 1.557 -0.822 1.00 0.00 C ATOM 329 CD1 TYR A 564 -8.599 1.562 -2.091 1.00 0.00 C ATOM 330 CD2 TYR A 564 -10.550 1.609 -0.722 1.00 0.00 C ATOM 331 CE1 TYR A 564 -9.387 1.618 -3.224 1.00 0.00 C ATOM 332 CE2 TYR A 564 -11.345 1.665 -1.851 1.00 0.00 C ATOM 333 CZ TYR A 564 -10.760 1.670 -3.100 1.00 0.00 C ATOM 334 OH TYR A 564 -11.548 1.726 -4.225 1.00 0.00 O ATOM 0 H TYR A 564 -7.923 3.815 -0.300 1.00 0.00 H new ATOM 0 HA TYR A 564 -9.502 2.652 1.771 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -7.254 1.447 0.113 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -8.518 0.572 0.954 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -7.525 1.521 -2.193 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -11.013 1.606 0.254 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -8.930 1.621 -4.203 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -12.420 1.705 -1.756 1.00 0.00 H new ATOM 0 HH TYR A 564 -12.492 1.757 -3.962 1.00 0.00 H new ATOM 344 N PHE A 565 -6.315 3.159 2.319 1.00 0.00 N ATOM 345 CA PHE A 565 -5.284 3.142 3.350 1.00 0.00 C ATOM 346 C PHE A 565 -5.606 4.139 4.456 1.00 0.00 C ATOM 347 O PHE A 565 -5.569 3.806 5.642 1.00 0.00 O ATOM 348 CB PHE A 565 -3.919 3.463 2.735 1.00 0.00 C ATOM 349 CG PHE A 565 -3.374 2.353 1.882 1.00 0.00 C ATOM 350 CD1 PHE A 565 -3.146 2.548 0.531 1.00 0.00 C ATOM 351 CD2 PHE A 565 -3.096 1.115 2.433 1.00 0.00 C ATOM 352 CE1 PHE A 565 -2.648 1.527 -0.257 1.00 0.00 C ATOM 353 CE2 PHE A 565 -2.600 0.088 1.652 1.00 0.00 C ATOM 354 CZ PHE A 565 -2.375 0.295 0.305 1.00 0.00 C ATOM 0 H PHE A 565 -6.045 3.635 1.458 1.00 0.00 H new ATOM 0 HA PHE A 565 -5.253 2.144 3.786 1.00 0.00 H new ATOM 0 HB2 PHE A 565 -4.004 4.367 2.132 1.00 0.00 H new ATOM 0 HB3 PHE A 565 -3.210 3.679 3.534 1.00 0.00 H new ATOM 0 HD1 PHE A 565 -3.360 3.509 0.087 1.00 0.00 H new ATOM 0 HD2 PHE A 565 -3.269 0.949 3.486 1.00 0.00 H new ATOM 0 HE1 PHE A 565 -2.473 1.692 -1.310 1.00 0.00 H new ATOM 0 HE2 PHE A 565 -2.389 -0.874 2.094 1.00 0.00 H new ATOM 0 HZ PHE A 565 -1.986 -0.505 -0.308 1.00 0.00 H new ATOM 364 N THR A 566 -5.934 5.362 4.059 1.00 0.00 N ATOM 365 CA THR A 566 -6.271 6.409 5.015 1.00 0.00 C ATOM 366 C THR A 566 -7.501 6.023 5.826 1.00 0.00 C ATOM 367 O THR A 566 -7.580 6.298 7.024 1.00 0.00 O ATOM 368 CB THR A 566 -6.518 7.732 4.288 1.00 0.00 C ATOM 369 OG1 THR A 566 -7.237 7.518 3.086 1.00 0.00 O ATOM 370 CG2 THR A 566 -5.244 8.468 3.935 1.00 0.00 C ATOM 0 H THR A 566 -5.974 5.653 3.082 1.00 0.00 H new ATOM 0 HA THR A 566 -5.430 6.531 5.698 1.00 0.00 H new ATOM 0 HB THR A 566 -7.090 8.342 4.987 1.00 0.00 H new ATOM 0 HG1 THR A 566 -7.816 6.734 3.186 1.00 0.00 H new ATOM 0 HG21 THR A 566 -5.491 9.397 3.422 1.00 0.00 H new ATOM 0 HG22 THR A 566 -4.689 8.693 4.846 1.00 0.00 H new ATOM 0 HG23 THR A 566 -4.632 7.845 3.283 1.00 0.00 H new ATOM 378 N THR A 567 -8.459 5.382 5.164 1.00 0.00 N ATOM 379 CA THR A 567 -9.689 4.954 5.820 1.00 0.00 C ATOM 380 C THR A 567 -9.397 4.061 7.024 1.00 0.00 C ATOM 381 O THR A 567 -10.231 3.925 7.919 1.00 0.00 O ATOM 382 CB THR A 567 -10.587 4.213 4.829 1.00 0.00 C ATOM 383 OG1 THR A 567 -9.812 3.445 3.926 1.00 0.00 O ATOM 384 CG2 THR A 567 -11.464 5.135 4.011 1.00 0.00 C ATOM 0 H THR A 567 -8.407 5.147 4.173 1.00 0.00 H new ATOM 0 HA THR A 567 -10.204 5.846 6.176 1.00 0.00 H new ATOM 0 HB THR A 567 -11.227 3.577 5.440 1.00 0.00 H new ATOM 0 HG1 THR A 567 -9.029 3.084 4.392 1.00 0.00 H new ATOM 0 HG21 THR A 567 -12.075 4.545 3.328 1.00 0.00 H new ATOM 0 HG22 THR A 567 -12.111 5.706 4.676 1.00 0.00 H new ATOM 0 HG23 THR A 567 -10.838 5.819 3.438 1.00 0.00 H new ATOM 392 N GLN A 568 -8.214 3.451 7.044 1.00 0.00 N ATOM 393 CA GLN A 568 -7.832 2.574 8.147 1.00 0.00 C ATOM 394 C GLN A 568 -6.786 3.231 9.045 1.00 0.00 C ATOM 395 O GLN A 568 -6.529 2.763 10.155 1.00 0.00 O ATOM 396 CB GLN A 568 -7.291 1.253 7.605 1.00 0.00 C ATOM 397 CG GLN A 568 -7.170 0.167 8.662 1.00 0.00 C ATOM 398 CD GLN A 568 -8.213 -0.922 8.503 1.00 0.00 C ATOM 399 OE1 GLN A 568 -7.882 -2.088 8.289 1.00 0.00 O ATOM 400 NE2 GLN A 568 -9.482 -0.546 8.607 1.00 0.00 N ATOM 0 H GLN A 568 -7.508 3.547 6.314 1.00 0.00 H new ATOM 0 HA GLN A 568 -8.723 2.384 8.746 1.00 0.00 H new ATOM 0 HB2 GLN A 568 -7.946 0.901 6.808 1.00 0.00 H new ATOM 0 HB3 GLN A 568 -6.311 1.426 7.160 1.00 0.00 H new ATOM 0 HG2 GLN A 568 -6.176 -0.277 8.609 1.00 0.00 H new ATOM 0 HG3 GLN A 568 -7.266 0.615 9.651 1.00 0.00 H new ATOM 0 HE21 GLN A 568 -9.711 0.432 8.785 1.00 0.00 H new ATOM 0 HE22 GLN A 568 -10.228 -1.235 8.509 1.00 0.00 H new ATOM 409 N GLY A 569 -6.189 4.317 8.566 1.00 0.00 N ATOM 410 CA GLY A 569 -5.186 5.016 9.349 1.00 0.00 C ATOM 411 C GLY A 569 -3.777 4.838 8.810 1.00 0.00 C ATOM 412 O GLY A 569 -2.804 5.138 9.502 1.00 0.00 O ATOM 0 H GLY A 569 -6.381 4.725 7.651 1.00 0.00 H new ATOM 0 HA2 GLY A 569 -5.428 6.079 9.372 1.00 0.00 H new ATOM 0 HA3 GLY A 569 -5.223 4.658 10.378 1.00 0.00 H new ATOM 416 N LEU A 570 -3.662 4.357 7.576 1.00 0.00 N ATOM 417 CA LEU A 570 -2.355 4.152 6.960 1.00 0.00 C ATOM 418 C LEU A 570 -2.042 5.273 5.975 1.00 0.00 C ATOM 419 O LEU A 570 -2.681 5.390 4.929 1.00 0.00 O ATOM 420 CB LEU A 570 -2.303 2.802 6.242 1.00 0.00 C ATOM 421 CG LEU A 570 -2.878 1.623 7.032 1.00 0.00 C ATOM 422 CD1 LEU A 570 -4.052 1.012 6.289 1.00 0.00 C ATOM 423 CD2 LEU A 570 -1.807 0.571 7.285 1.00 0.00 C ATOM 0 H LEU A 570 -4.454 4.103 6.985 1.00 0.00 H new ATOM 0 HA LEU A 570 -1.606 4.160 7.751 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -2.846 2.888 5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -1.265 2.580 5.993 1.00 0.00 H new ATOM 0 HG LEU A 570 -3.229 1.994 7.995 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -4.450 0.175 6.863 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -4.830 1.764 6.157 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -3.720 0.657 5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -2.237 -0.258 7.848 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -1.426 0.204 6.332 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -0.991 1.013 7.856 1.00 0.00 H new ATOM 435 N THR A 571 -1.057 6.097 6.316 1.00 0.00 N ATOM 436 CA THR A 571 -0.661 7.209 5.461 1.00 0.00 C ATOM 437 C THR A 571 0.731 6.980 4.881 1.00 0.00 C ATOM 438 O THR A 571 1.020 7.385 3.755 1.00 0.00 O ATOM 439 CB THR A 571 -0.686 8.518 6.251 1.00 0.00 C ATOM 440 OG1 THR A 571 -0.178 8.325 7.559 1.00 0.00 O ATOM 441 CG2 THR A 571 -2.072 9.112 6.381 1.00 0.00 C ATOM 0 H THR A 571 -0.519 6.015 7.178 1.00 0.00 H new ATOM 0 HA THR A 571 -1.372 7.274 4.638 1.00 0.00 H new ATOM 0 HB THR A 571 -0.063 9.209 5.683 1.00 0.00 H new ATOM 0 HG1 THR A 571 -0.201 9.174 8.047 1.00 0.00 H new ATOM 0 HG21 THR A 571 -2.019 10.039 6.952 1.00 0.00 H new ATOM 0 HG22 THR A 571 -2.473 9.320 5.389 1.00 0.00 H new ATOM 0 HG23 THR A 571 -2.724 8.406 6.895 1.00 0.00 H new ATOM 449 N THR A 572 1.590 6.331 5.659 1.00 0.00 N ATOM 450 CA THR A 572 2.953 6.048 5.225 1.00 0.00 C ATOM 451 C THR A 572 3.073 4.619 4.711 1.00 0.00 C ATOM 452 O THR A 572 2.362 3.725 5.168 1.00 0.00 O ATOM 453 CB THR A 572 3.940 6.257 6.379 1.00 0.00 C ATOM 454 OG1 THR A 572 4.045 5.082 7.169 1.00 0.00 O ATOM 455 CG2 THR A 572 3.559 7.397 7.301 1.00 0.00 C ATOM 0 H THR A 572 1.366 5.991 6.594 1.00 0.00 H new ATOM 0 HA THR A 572 3.194 6.738 4.416 1.00 0.00 H new ATOM 0 HB THR A 572 4.889 6.501 5.903 1.00 0.00 H new ATOM 0 HG1 THR A 572 4.681 5.234 7.899 1.00 0.00 H new ATOM 0 HG21 THR A 572 4.301 7.487 8.094 1.00 0.00 H new ATOM 0 HG22 THR A 572 3.520 8.327 6.733 1.00 0.00 H new ATOM 0 HG23 THR A 572 2.581 7.199 7.740 1.00 0.00 H new ATOM 463 N ILE A 573 3.991 4.404 3.776 1.00 0.00 N ATOM 464 CA ILE A 573 4.211 3.075 3.227 1.00 0.00 C ATOM 465 C ILE A 573 4.910 2.197 4.257 1.00 0.00 C ATOM 466 O ILE A 573 4.730 0.979 4.279 1.00 0.00 O ATOM 467 CB ILE A 573 5.049 3.123 1.936 1.00 0.00 C ATOM 468 CG1 ILE A 573 5.212 1.719 1.347 1.00 0.00 C ATOM 469 CG2 ILE A 573 6.404 3.757 2.207 1.00 0.00 C ATOM 470 CD1 ILE A 573 6.148 1.666 0.158 1.00 0.00 C ATOM 0 H ILE A 573 4.591 5.130 3.385 1.00 0.00 H new ATOM 0 HA ILE A 573 3.236 2.654 2.981 1.00 0.00 H new ATOM 0 HB ILE A 573 4.524 3.738 1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 573 5.585 1.050 2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 573 4.234 1.344 1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 573 6.984 3.784 1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 573 6.263 4.773 2.576 1.00 0.00 H new ATOM 0 HG23 ILE A 573 6.937 3.170 2.955 1.00 0.00 H new ATOM 0 HD11 ILE A 573 6.215 0.641 -0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 573 5.766 2.309 -0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 573 7.138 2.010 0.459 1.00 0.00 H new ATOM 482 N TYR A 574 5.699 2.831 5.120 1.00 0.00 N ATOM 483 CA TYR A 574 6.415 2.115 6.165 1.00 0.00 C ATOM 484 C TYR A 574 5.432 1.425 7.102 1.00 0.00 C ATOM 485 O TYR A 574 5.688 0.323 7.587 1.00 0.00 O ATOM 486 CB TYR A 574 7.307 3.073 6.956 1.00 0.00 C ATOM 487 CG TYR A 574 8.641 3.343 6.296 1.00 0.00 C ATOM 488 CD1 TYR A 574 9.051 4.642 6.021 1.00 0.00 C ATOM 489 CD2 TYR A 574 9.489 2.300 5.948 1.00 0.00 C ATOM 490 CE1 TYR A 574 10.270 4.892 5.419 1.00 0.00 C ATOM 491 CE2 TYR A 574 10.709 2.541 5.346 1.00 0.00 C ATOM 492 CZ TYR A 574 11.095 3.839 5.084 1.00 0.00 C ATOM 493 OH TYR A 574 12.309 4.084 4.485 1.00 0.00 O ATOM 0 H TYR A 574 5.857 3.839 5.114 1.00 0.00 H new ATOM 0 HA TYR A 574 7.044 1.359 5.695 1.00 0.00 H new ATOM 0 HB2 TYR A 574 6.781 4.018 7.092 1.00 0.00 H new ATOM 0 HB3 TYR A 574 7.480 2.659 7.949 1.00 0.00 H new ATOM 0 HD1 TYR A 574 8.407 5.469 6.282 1.00 0.00 H new ATOM 0 HD2 TYR A 574 9.190 1.282 6.151 1.00 0.00 H new ATOM 0 HE1 TYR A 574 10.575 5.907 5.212 1.00 0.00 H new ATOM 0 HE2 TYR A 574 11.357 1.718 5.082 1.00 0.00 H new ATOM 0 HH TYR A 574 12.163 4.474 3.598 1.00 0.00 H new ATOM 503 N GLN A 575 4.298 2.079 7.345 1.00 0.00 N ATOM 504 CA GLN A 575 3.271 1.524 8.216 1.00 0.00 C ATOM 505 C GLN A 575 2.778 0.180 7.685 1.00 0.00 C ATOM 506 O GLN A 575 2.277 -0.651 8.443 1.00 0.00 O ATOM 507 CB GLN A 575 2.097 2.499 8.341 1.00 0.00 C ATOM 508 CG GLN A 575 1.530 2.592 9.749 1.00 0.00 C ATOM 509 CD GLN A 575 0.349 3.538 9.839 1.00 0.00 C ATOM 510 OE1 GLN A 575 0.454 4.715 9.493 1.00 0.00 O ATOM 511 NE2 GLN A 575 -0.784 3.028 10.307 1.00 0.00 N ATOM 0 H GLN A 575 4.070 2.992 6.951 1.00 0.00 H new ATOM 0 HA GLN A 575 3.709 1.367 9.201 1.00 0.00 H new ATOM 0 HB2 GLN A 575 2.423 3.489 8.023 1.00 0.00 H new ATOM 0 HB3 GLN A 575 1.305 2.190 7.659 1.00 0.00 H new ATOM 0 HG2 GLN A 575 1.222 1.600 10.079 1.00 0.00 H new ATOM 0 HG3 GLN A 575 2.312 2.927 10.431 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -0.826 2.047 10.582 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -1.612 3.617 10.391 1.00 0.00 H new ATOM 520 N ILE A 576 2.925 -0.028 6.378 1.00 0.00 N ATOM 521 CA ILE A 576 2.495 -1.270 5.749 1.00 0.00 C ATOM 522 C ILE A 576 3.672 -2.021 5.129 1.00 0.00 C ATOM 523 O ILE A 576 3.481 -2.934 4.327 1.00 0.00 O ATOM 524 CB ILE A 576 1.429 -1.014 4.664 1.00 0.00 C ATOM 525 CG1 ILE A 576 2.029 -0.249 3.482 1.00 0.00 C ATOM 526 CG2 ILE A 576 0.254 -0.248 5.250 1.00 0.00 C ATOM 527 CD1 ILE A 576 1.054 -0.039 2.345 1.00 0.00 C ATOM 0 H ILE A 576 3.339 0.648 5.736 1.00 0.00 H new ATOM 0 HA ILE A 576 2.059 -1.883 6.538 1.00 0.00 H new ATOM 0 HB ILE A 576 1.072 -1.977 4.300 1.00 0.00 H new ATOM 0 HG12 ILE A 576 2.385 0.721 3.830 1.00 0.00 H new ATOM 0 HG13 ILE A 576 2.898 -0.793 3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 576 -0.491 -0.074 4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 576 -0.192 -0.828 6.057 1.00 0.00 H new ATOM 0 HG23 ILE A 576 0.601 0.709 5.640 1.00 0.00 H new ATOM 0 HD11 ILE A 576 1.545 0.509 1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 576 0.717 -1.006 1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 576 0.196 0.531 2.702 1.00 0.00 H new ATOM 539 N GLU A 577 4.888 -1.634 5.505 1.00 0.00 N ATOM 540 CA GLU A 577 6.092 -2.274 4.981 1.00 0.00 C ATOM 541 C GLU A 577 6.018 -3.794 5.123 1.00 0.00 C ATOM 542 O GLU A 577 6.653 -4.528 4.365 1.00 0.00 O ATOM 543 CB GLU A 577 7.331 -1.741 5.705 1.00 0.00 C ATOM 544 CG GLU A 577 8.632 -2.357 5.218 1.00 0.00 C ATOM 545 CD GLU A 577 9.800 -1.393 5.303 1.00 0.00 C ATOM 546 OE1 GLU A 577 9.953 -0.563 4.382 1.00 0.00 O ATOM 547 OE2 GLU A 577 10.561 -1.467 6.290 1.00 0.00 O ATOM 0 H GLU A 577 5.066 -0.881 6.170 1.00 0.00 H new ATOM 0 HA GLU A 577 6.165 -2.035 3.920 1.00 0.00 H new ATOM 0 HB2 GLU A 577 7.380 -0.660 5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 577 7.227 -1.930 6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 577 8.854 -3.244 5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 577 8.511 -2.685 4.186 1.00 0.00 H new ATOM 554 N HIS A 578 5.240 -4.261 6.096 1.00 0.00 N ATOM 555 CA HIS A 578 5.089 -5.694 6.331 1.00 0.00 C ATOM 556 C HIS A 578 3.637 -6.129 6.160 1.00 0.00 C ATOM 557 O HIS A 578 3.183 -7.074 6.804 1.00 0.00 O ATOM 558 CB HIS A 578 5.577 -6.057 7.736 1.00 0.00 C ATOM 559 CG HIS A 578 6.847 -5.369 8.130 1.00 0.00 C ATOM 560 ND1 HIS A 578 7.120 -4.058 8.333 1.00 0.00 N flip ATOM 561 CD2 HIS A 578 8.027 -6.044 8.361 1.00 0.00 C flip ATOM 562 CE1 HIS A 578 8.445 -3.967 8.679 1.00 0.00 C flip ATOM 563 NE2 HIS A 578 8.970 -5.178 8.690 1.00 0.00 N flip ATOM 0 H HIS A 578 4.706 -3.670 6.733 1.00 0.00 H new ATOM 0 HA HIS A 578 5.695 -6.220 5.593 1.00 0.00 H new ATOM 0 HB2 HIS A 578 4.799 -5.805 8.457 1.00 0.00 H new ATOM 0 HB3 HIS A 578 5.726 -7.135 7.792 1.00 0.00 H new ATOM 0 HD2 HIS A 578 8.160 -7.113 8.285 1.00 0.00 H new ATOM 0 HE1 HIS A 578 8.973 -3.052 8.906 1.00 0.00 H new ATOM 0 HE2 HIS A 578 9.938 -5.407 8.914 1.00 0.00 H new ATOM 572 N TYR A 579 2.910 -5.434 5.289 1.00 0.00 N ATOM 573 CA TYR A 579 1.509 -5.752 5.039 1.00 0.00 C ATOM 574 C TYR A 579 1.337 -6.994 4.177 1.00 0.00 C ATOM 575 O TYR A 579 2.094 -7.232 3.236 1.00 0.00 O ATOM 576 CB TYR A 579 0.790 -4.575 4.382 1.00 0.00 C ATOM 577 CG TYR A 579 -0.152 -3.854 5.312 1.00 0.00 C ATOM 578 CD1 TYR A 579 0.217 -3.551 6.614 1.00 0.00 C ATOM 579 CD2 TYR A 579 -1.422 -3.493 4.886 1.00 0.00 C ATOM 580 CE1 TYR A 579 -0.655 -2.905 7.468 1.00 0.00 C ATOM 581 CE2 TYR A 579 -2.298 -2.846 5.729 1.00 0.00 C ATOM 582 CZ TYR A 579 -1.913 -2.555 7.020 1.00 0.00 C ATOM 583 OH TYR A 579 -2.787 -1.912 7.868 1.00 0.00 O ATOM 0 H TYR A 579 3.268 -4.648 4.746 1.00 0.00 H new ATOM 0 HA TYR A 579 1.064 -5.955 6.013 1.00 0.00 H new ATOM 0 HB2 TYR A 579 1.531 -3.869 4.009 1.00 0.00 H new ATOM 0 HB3 TYR A 579 0.231 -4.936 3.519 1.00 0.00 H new ATOM 0 HD1 TYR A 579 1.201 -3.824 6.965 1.00 0.00 H new ATOM 0 HD2 TYR A 579 -1.729 -3.723 3.876 1.00 0.00 H new ATOM 0 HE1 TYR A 579 -0.355 -2.675 8.480 1.00 0.00 H new ATOM 0 HE2 TYR A 579 -3.282 -2.568 5.380 1.00 0.00 H new ATOM 0 HH TYR A 579 -2.420 -1.911 8.777 1.00 0.00 H new ATOM 593 N SER A 580 0.309 -7.764 4.506 1.00 0.00 N ATOM 594 CA SER A 580 -0.021 -8.977 3.774 1.00 0.00 C ATOM 595 C SER A 580 -1.173 -8.705 2.817 1.00 0.00 C ATOM 596 O SER A 580 -1.812 -7.655 2.891 1.00 0.00 O ATOM 597 CB SER A 580 -0.427 -10.083 4.747 1.00 0.00 C ATOM 598 OG SER A 580 -1.747 -9.872 5.228 1.00 0.00 O ATOM 0 H SER A 580 -0.318 -7.565 5.286 1.00 0.00 H new ATOM 0 HA SER A 580 0.856 -9.295 3.210 1.00 0.00 H new ATOM 0 HB2 SER A 580 -0.367 -11.051 4.250 1.00 0.00 H new ATOM 0 HB3 SER A 580 0.270 -10.111 5.585 1.00 0.00 H new ATOM 0 HG SER A 580 -1.731 -9.206 5.947 1.00 0.00 H new ATOM 604 N MET A 581 -1.461 -9.658 1.942 1.00 0.00 N ATOM 605 CA MET A 581 -2.568 -9.503 1.010 1.00 0.00 C ATOM 606 C MET A 581 -3.874 -9.401 1.791 1.00 0.00 C ATOM 607 O MET A 581 -4.834 -8.768 1.348 1.00 0.00 O ATOM 608 CB MET A 581 -2.622 -10.681 0.032 1.00 0.00 C ATOM 609 CG MET A 581 -3.799 -10.623 -0.928 1.00 0.00 C ATOM 610 SD MET A 581 -3.546 -11.633 -2.400 1.00 0.00 S ATOM 611 CE MET A 581 -3.314 -10.365 -3.643 1.00 0.00 C ATOM 0 H MET A 581 -0.950 -10.537 1.858 1.00 0.00 H new ATOM 0 HA MET A 581 -2.420 -8.592 0.431 1.00 0.00 H new ATOM 0 HB2 MET A 581 -1.696 -10.708 -0.543 1.00 0.00 H new ATOM 0 HB3 MET A 581 -2.672 -11.611 0.599 1.00 0.00 H new ATOM 0 HG2 MET A 581 -4.700 -10.958 -0.413 1.00 0.00 H new ATOM 0 HG3 MET A 581 -3.968 -9.589 -1.227 1.00 0.00 H new ATOM 0 HE1 MET A 581 -2.839 -10.800 -4.522 1.00 0.00 H new ATOM 0 HE2 MET A 581 -4.282 -9.948 -3.922 1.00 0.00 H new ATOM 0 HE3 MET A 581 -2.680 -9.574 -3.242 1.00 0.00 H new ATOM 621 N ASP A 582 -3.890 -10.020 2.972 1.00 0.00 N ATOM 622 CA ASP A 582 -5.060 -9.996 3.838 1.00 0.00 C ATOM 623 C ASP A 582 -5.283 -8.594 4.394 1.00 0.00 C ATOM 624 O ASP A 582 -6.378 -8.046 4.289 1.00 0.00 O ATOM 625 CB ASP A 582 -4.894 -10.995 4.985 1.00 0.00 C ATOM 626 CG ASP A 582 -5.560 -12.325 4.693 1.00 0.00 C ATOM 627 OD1 ASP A 582 -5.046 -13.072 3.834 1.00 0.00 O ATOM 628 OD2 ASP A 582 -6.598 -12.620 5.324 1.00 0.00 O ATOM 0 H ASP A 582 -3.101 -10.545 3.348 1.00 0.00 H new ATOM 0 HA ASP A 582 -5.931 -10.280 3.247 1.00 0.00 H new ATOM 0 HB2 ASP A 582 -3.832 -11.157 5.172 1.00 0.00 H new ATOM 0 HB3 ASP A 582 -5.317 -10.572 5.896 1.00 0.00 H new ATOM 633 N ASP A 583 -4.236 -8.012 4.976 1.00 0.00 N ATOM 634 CA ASP A 583 -4.334 -6.663 5.532 1.00 0.00 C ATOM 635 C ASP A 583 -4.725 -5.672 4.442 1.00 0.00 C ATOM 636 O ASP A 583 -5.634 -4.858 4.616 1.00 0.00 O ATOM 637 CB ASP A 583 -3.005 -6.234 6.163 1.00 0.00 C ATOM 638 CG ASP A 583 -2.507 -7.228 7.195 1.00 0.00 C ATOM 639 OD1 ASP A 583 -3.211 -7.438 8.206 1.00 0.00 O ATOM 640 OD2 ASP A 583 -1.414 -7.796 6.992 1.00 0.00 O ATOM 0 H ASP A 583 -3.319 -8.448 5.075 1.00 0.00 H new ATOM 0 HA ASP A 583 -5.101 -6.672 6.306 1.00 0.00 H new ATOM 0 HB2 ASP A 583 -2.255 -6.120 5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 583 -3.127 -5.258 6.632 1.00 0.00 H new ATOM 645 N LEU A 584 -4.030 -5.757 3.313 1.00 0.00 N ATOM 646 CA LEU A 584 -4.286 -4.881 2.178 1.00 0.00 C ATOM 647 C LEU A 584 -5.735 -5.035 1.709 1.00 0.00 C ATOM 648 O LEU A 584 -6.392 -4.065 1.301 1.00 0.00 O ATOM 649 CB LEU A 584 -3.308 -5.212 1.047 1.00 0.00 C ATOM 650 CG LEU A 584 -2.641 -4.002 0.396 1.00 0.00 C ATOM 651 CD1 LEU A 584 -1.738 -4.432 -0.750 1.00 0.00 C ATOM 652 CD2 LEU A 584 -3.695 -3.021 -0.084 1.00 0.00 C ATOM 0 H LEU A 584 -3.279 -6.430 3.160 1.00 0.00 H new ATOM 0 HA LEU A 584 -4.137 -3.844 2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 584 -2.532 -5.869 1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 584 -3.841 -5.772 0.278 1.00 0.00 H new ATOM 0 HG LEU A 584 -2.019 -3.506 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 584 -1.274 -3.553 -1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 584 -0.963 -5.098 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 584 -2.329 -4.953 -1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 584 -3.209 -2.162 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 584 -4.341 -3.509 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 584 -4.293 -2.686 0.763 1.00 0.00 H new ATOM 664 N ALA A 585 -6.237 -6.265 1.792 1.00 0.00 N ATOM 665 CA ALA A 585 -7.608 -6.556 1.407 1.00 0.00 C ATOM 666 C ALA A 585 -8.568 -6.049 2.476 1.00 0.00 C ATOM 667 O ALA A 585 -9.686 -5.629 2.177 1.00 0.00 O ATOM 668 CB ALA A 585 -7.793 -8.051 1.189 1.00 0.00 C ATOM 0 H ALA A 585 -5.711 -7.074 2.123 1.00 0.00 H new ATOM 0 HA ALA A 585 -7.826 -6.044 0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 585 -8.825 -8.252 0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 585 -7.123 -8.389 0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 585 -7.563 -8.584 2.111 1.00 0.00 H new ATOM 674 N SER A 586 -8.112 -6.082 3.727 1.00 0.00 N ATOM 675 CA SER A 586 -8.917 -5.616 4.850 1.00 0.00 C ATOM 676 C SER A 586 -9.252 -4.142 4.681 1.00 0.00 C ATOM 677 O SER A 586 -10.389 -3.723 4.899 1.00 0.00 O ATOM 678 CB SER A 586 -8.176 -5.841 6.169 1.00 0.00 C ATOM 679 OG SER A 586 -9.051 -5.705 7.275 1.00 0.00 O ATOM 0 H SER A 586 -7.188 -6.427 3.987 1.00 0.00 H new ATOM 0 HA SER A 586 -9.845 -6.187 4.871 1.00 0.00 H new ATOM 0 HB2 SER A 586 -7.730 -6.836 6.174 1.00 0.00 H new ATOM 0 HB3 SER A 586 -7.359 -5.125 6.257 1.00 0.00 H new ATOM 0 HG SER A 586 -8.554 -5.855 8.106 1.00 0.00 H new ATOM 685 N LEU A 587 -8.258 -3.364 4.270 1.00 0.00 N ATOM 686 CA LEU A 587 -8.458 -1.935 4.048 1.00 0.00 C ATOM 687 C LEU A 587 -9.490 -1.719 2.947 1.00 0.00 C ATOM 688 O LEU A 587 -10.078 -0.643 2.841 1.00 0.00 O ATOM 689 CB LEU A 587 -7.151 -1.234 3.663 1.00 0.00 C ATOM 690 CG LEU A 587 -5.864 -1.890 4.164 1.00 0.00 C ATOM 691 CD1 LEU A 587 -4.659 -1.067 3.743 1.00 0.00 C ATOM 692 CD2 LEU A 587 -5.903 -2.059 5.677 1.00 0.00 C ATOM 0 H LEU A 587 -7.311 -3.694 4.084 1.00 0.00 H new ATOM 0 HA LEU A 587 -8.814 -1.503 4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 587 -7.103 -1.170 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 587 -7.185 -0.212 4.041 1.00 0.00 H new ATOM 0 HG LEU A 587 -5.779 -2.880 3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -3.748 -1.544 4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 587 -4.626 -1.000 2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 587 -4.737 -0.065 4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 587 -4.979 -2.527 6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 587 -6.009 -1.082 6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 587 -6.750 -2.688 5.951 1.00 0.00 H new ATOM 704 N LYS A 588 -9.702 -2.763 2.135 1.00 0.00 N ATOM 705 CA LYS A 588 -10.660 -2.739 1.032 1.00 0.00 C ATOM 706 C LYS A 588 -9.975 -2.507 -0.312 1.00 0.00 C ATOM 707 O LYS A 588 -10.629 -2.112 -1.278 1.00 0.00 O ATOM 708 CB LYS A 588 -11.738 -1.677 1.256 1.00 0.00 C ATOM 709 CG LYS A 588 -13.003 -1.907 0.446 1.00 0.00 C ATOM 710 CD LYS A 588 -14.021 -0.804 0.682 1.00 0.00 C ATOM 711 CE LYS A 588 -14.617 -0.886 2.078 1.00 0.00 C ATOM 712 NZ LYS A 588 -15.957 -1.536 2.074 1.00 0.00 N ATOM 0 H LYS A 588 -9.209 -3.651 2.229 1.00 0.00 H new ATOM 0 HA LYS A 588 -11.133 -3.721 1.007 1.00 0.00 H new ATOM 0 HB2 LYS A 588 -11.995 -1.652 2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 588 -11.329 -0.699 1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 588 -12.754 -1.954 -0.614 1.00 0.00 H new ATOM 0 HG3 LYS A 588 -13.439 -2.870 0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 588 -13.545 0.167 0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 588 -14.817 -0.877 -0.059 1.00 0.00 H new ATOM 0 HE2 LYS A 588 -13.944 -1.446 2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 588 -14.702 0.117 2.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 588 -16.328 -1.572 3.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 588 -16.607 -0.988 1.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 588 -15.873 -2.503 1.699 1.00 0.00 H new ATOM 726 N ILE A 589 -8.668 -2.767 -0.394 1.00 0.00 N ATOM 727 CA ILE A 589 -7.965 -2.585 -1.658 1.00 0.00 C ATOM 728 C ILE A 589 -8.218 -3.786 -2.573 1.00 0.00 C ATOM 729 O ILE A 589 -7.993 -4.931 -2.182 1.00 0.00 O ATOM 730 CB ILE A 589 -6.449 -2.367 -1.453 1.00 0.00 C ATOM 731 CG1 ILE A 589 -6.199 -0.963 -0.898 1.00 0.00 C ATOM 732 CG2 ILE A 589 -5.688 -2.559 -2.761 1.00 0.00 C ATOM 733 CD1 ILE A 589 -5.796 -0.945 0.557 1.00 0.00 C ATOM 0 H ILE A 589 -8.091 -3.096 0.380 1.00 0.00 H new ATOM 0 HA ILE A 589 -8.356 -1.684 -2.130 1.00 0.00 H new ATOM 0 HB ILE A 589 -6.086 -3.107 -0.739 1.00 0.00 H new ATOM 0 HG12 ILE A 589 -5.418 -0.483 -1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 589 -7.103 -0.367 -1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 589 -4.623 -2.400 -2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 589 -5.849 -3.572 -3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 589 -6.047 -1.842 -3.500 1.00 0.00 H new ATOM 0 HD11 ILE A 589 -5.636 0.084 0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 589 -6.586 -1.394 1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 589 -4.874 -1.512 0.686 1.00 0.00 H new ATOM 745 N PRO A 590 -8.712 -3.537 -3.799 1.00 0.00 N ATOM 746 CA PRO A 590 -9.021 -4.603 -4.763 1.00 0.00 C ATOM 747 C PRO A 590 -7.841 -5.531 -5.024 1.00 0.00 C ATOM 748 O PRO A 590 -6.697 -5.211 -4.699 1.00 0.00 O ATOM 749 CB PRO A 590 -9.394 -3.838 -6.035 1.00 0.00 C ATOM 750 CG PRO A 590 -9.860 -2.508 -5.550 1.00 0.00 C ATOM 751 CD PRO A 590 -9.026 -2.202 -4.339 1.00 0.00 C ATOM 0 HA PRO A 590 -9.810 -5.259 -4.394 1.00 0.00 H new ATOM 0 HB2 PRO A 590 -8.539 -3.739 -6.703 1.00 0.00 H new ATOM 0 HB3 PRO A 590 -10.176 -4.353 -6.593 1.00 0.00 H new ATOM 0 HG2 PRO A 590 -9.731 -1.744 -6.317 1.00 0.00 H new ATOM 0 HG3 PRO A 590 -10.920 -2.532 -5.299 1.00 0.00 H new ATOM 0 HD2 PRO A 590 -8.123 -1.651 -4.601 1.00 0.00 H new ATOM 0 HD3 PRO A 590 -9.572 -1.594 -3.617 1.00 0.00 H new ATOM 759 N GLU A 591 -8.132 -6.686 -5.614 1.00 0.00 N ATOM 760 CA GLU A 591 -7.105 -7.674 -5.925 1.00 0.00 C ATOM 761 C GLU A 591 -6.156 -7.155 -7.001 1.00 0.00 C ATOM 762 O GLU A 591 -4.986 -7.534 -7.046 1.00 0.00 O ATOM 763 CB GLU A 591 -7.755 -8.981 -6.387 1.00 0.00 C ATOM 764 CG GLU A 591 -7.140 -10.221 -5.759 1.00 0.00 C ATOM 765 CD GLU A 591 -8.157 -11.321 -5.529 1.00 0.00 C ATOM 766 OE1 GLU A 591 -9.133 -11.399 -6.304 1.00 0.00 O ATOM 767 OE2 GLU A 591 -7.976 -12.107 -4.575 1.00 0.00 O ATOM 0 H GLU A 591 -9.075 -6.962 -5.887 1.00 0.00 H new ATOM 0 HA GLU A 591 -6.527 -7.861 -5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -8.818 -8.952 -6.149 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -7.673 -9.054 -7.471 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -6.345 -10.595 -6.404 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -6.679 -9.952 -4.808 1.00 0.00 H new ATOM 774 N GLN A 592 -6.670 -6.290 -7.870 1.00 0.00 N ATOM 775 CA GLN A 592 -5.870 -5.722 -8.950 1.00 0.00 C ATOM 776 C GLN A 592 -4.922 -4.645 -8.428 1.00 0.00 C ATOM 777 O GLN A 592 -3.906 -4.346 -9.056 1.00 0.00 O ATOM 778 CB GLN A 592 -6.780 -5.133 -10.029 1.00 0.00 C ATOM 779 CG GLN A 592 -7.916 -6.056 -10.439 1.00 0.00 C ATOM 780 CD GLN A 592 -7.477 -7.117 -11.430 1.00 0.00 C ATOM 781 OE1 GLN A 592 -7.793 -7.042 -12.617 1.00 0.00 O ATOM 782 NE2 GLN A 592 -6.745 -8.112 -10.945 1.00 0.00 N ATOM 0 H GLN A 592 -7.637 -5.967 -7.847 1.00 0.00 H new ATOM 0 HA GLN A 592 -5.272 -6.525 -9.381 1.00 0.00 H new ATOM 0 HB2 GLN A 592 -7.199 -4.194 -9.666 1.00 0.00 H new ATOM 0 HB3 GLN A 592 -6.181 -4.896 -10.908 1.00 0.00 H new ATOM 0 HG2 GLN A 592 -8.324 -6.540 -9.552 1.00 0.00 H new ATOM 0 HG3 GLN A 592 -8.719 -5.464 -10.878 1.00 0.00 H new ATOM 0 HE21 GLN A 592 -6.507 -8.134 -9.953 1.00 0.00 H new ATOM 0 HE22 GLN A 592 -6.421 -8.855 -11.564 1.00 0.00 H new ATOM 791 N PHE A 593 -5.260 -4.061 -7.282 1.00 0.00 N ATOM 792 CA PHE A 593 -4.435 -3.014 -6.690 1.00 0.00 C ATOM 793 C PHE A 593 -3.616 -3.551 -5.520 1.00 0.00 C ATOM 794 O PHE A 593 -2.437 -3.229 -5.379 1.00 0.00 O ATOM 795 CB PHE A 593 -5.310 -1.849 -6.223 1.00 0.00 C ATOM 796 CG PHE A 593 -5.948 -1.092 -7.352 1.00 0.00 C ATOM 797 CD1 PHE A 593 -5.205 -0.207 -8.117 1.00 0.00 C ATOM 798 CD2 PHE A 593 -7.290 -1.265 -7.647 1.00 0.00 C ATOM 799 CE1 PHE A 593 -5.791 0.491 -9.157 1.00 0.00 C ATOM 800 CE2 PHE A 593 -7.881 -0.570 -8.685 1.00 0.00 C ATOM 801 CZ PHE A 593 -7.130 0.308 -9.441 1.00 0.00 C ATOM 0 H PHE A 593 -6.096 -4.294 -6.747 1.00 0.00 H new ATOM 0 HA PHE A 593 -3.745 -2.660 -7.455 1.00 0.00 H new ATOM 0 HB2 PHE A 593 -6.090 -2.231 -5.565 1.00 0.00 H new ATOM 0 HB3 PHE A 593 -4.703 -1.163 -5.632 1.00 0.00 H new ATOM 0 HD1 PHE A 593 -4.157 -0.061 -7.899 1.00 0.00 H new ATOM 0 HD2 PHE A 593 -7.882 -1.951 -7.059 1.00 0.00 H new ATOM 0 HE1 PHE A 593 -5.202 1.178 -9.746 1.00 0.00 H new ATOM 0 HE2 PHE A 593 -8.929 -0.713 -8.905 1.00 0.00 H new ATOM 0 HZ PHE A 593 -7.589 0.851 -10.254 1.00 0.00 H new ATOM 811 N ARG A 594 -4.245 -4.367 -4.679 1.00 0.00 N ATOM 812 CA ARG A 594 -3.566 -4.938 -3.522 1.00 0.00 C ATOM 813 C ARG A 594 -2.320 -5.715 -3.944 1.00 0.00 C ATOM 814 O ARG A 594 -1.301 -5.690 -3.258 1.00 0.00 O ATOM 815 CB ARG A 594 -4.517 -5.845 -2.730 1.00 0.00 C ATOM 816 CG ARG A 594 -4.604 -7.269 -3.258 1.00 0.00 C ATOM 817 CD ARG A 594 -5.609 -8.094 -2.470 1.00 0.00 C ATOM 818 NE ARG A 594 -6.970 -7.581 -2.607 1.00 0.00 N ATOM 819 CZ ARG A 594 -8.060 -8.287 -2.313 1.00 0.00 C ATOM 820 NH1 ARG A 594 -7.954 -9.532 -1.868 1.00 0.00 N ATOM 821 NH2 ARG A 594 -9.261 -7.744 -2.464 1.00 0.00 N ATOM 0 H ARG A 594 -5.221 -4.647 -4.777 1.00 0.00 H new ATOM 0 HA ARG A 594 -3.252 -4.116 -2.879 1.00 0.00 H new ATOM 0 HB2 ARG A 594 -4.191 -5.874 -1.690 1.00 0.00 H new ATOM 0 HB3 ARG A 594 -5.514 -5.404 -2.740 1.00 0.00 H new ATOM 0 HG2 ARG A 594 -4.891 -7.252 -4.310 1.00 0.00 H new ATOM 0 HG3 ARG A 594 -3.622 -7.739 -3.203 1.00 0.00 H new ATOM 0 HD2 ARG A 594 -5.576 -9.128 -2.812 1.00 0.00 H new ATOM 0 HD3 ARG A 594 -5.328 -8.098 -1.417 1.00 0.00 H new ATOM 0 HE ARG A 594 -7.092 -6.627 -2.947 1.00 0.00 H new ATOM 0 HH11 ARG A 594 -7.033 -9.954 -1.749 1.00 0.00 H new ATOM 0 HH12 ARG A 594 -8.793 -10.067 -1.645 1.00 0.00 H new ATOM 0 HH21 ARG A 594 -9.349 -6.787 -2.805 1.00 0.00 H new ATOM 0 HH22 ARG A 594 -10.097 -8.284 -2.239 1.00 0.00 H new ATOM 835 N HIS A 595 -2.413 -6.407 -5.075 1.00 0.00 N ATOM 836 CA HIS A 595 -1.293 -7.192 -5.581 1.00 0.00 C ATOM 837 C HIS A 595 -0.132 -6.291 -5.988 1.00 0.00 C ATOM 838 O HIS A 595 1.009 -6.513 -5.580 1.00 0.00 O ATOM 839 CB HIS A 595 -1.736 -8.045 -6.770 1.00 0.00 C ATOM 840 CG HIS A 595 -1.063 -9.379 -6.831 1.00 0.00 C ATOM 841 ND1 HIS A 595 -0.741 -10.253 -5.847 1.00 0.00 N flip ATOM 842 CD2 HIS A 595 -0.636 -9.957 -8.009 1.00 0.00 C flip ATOM 843 CE1 HIS A 595 -0.134 -11.331 -6.443 1.00 0.00 C flip ATOM 844 NE2 HIS A 595 -0.083 -11.128 -7.747 1.00 0.00 N flip ATOM 0 H HIS A 595 -3.250 -6.440 -5.657 1.00 0.00 H new ATOM 0 HA HIS A 595 -0.953 -7.848 -4.780 1.00 0.00 H new ATOM 0 HB2 HIS A 595 -2.815 -8.193 -6.719 1.00 0.00 H new ATOM 0 HB3 HIS A 595 -1.532 -7.502 -7.693 1.00 0.00 H new ATOM 0 HD2 HIS A 595 -0.738 -9.520 -8.992 1.00 0.00 H new ATOM 0 HE1 HIS A 595 0.241 -12.204 -5.929 1.00 0.00 H new ATOM 0 HE2 HIS A 595 0.316 -11.767 -8.435 1.00 0.00 H new ATOM 853 N ALA A 596 -0.426 -5.270 -6.788 1.00 0.00 N ATOM 854 CA ALA A 596 0.601 -4.338 -7.236 1.00 0.00 C ATOM 855 C ALA A 596 1.222 -3.617 -6.049 1.00 0.00 C ATOM 856 O ALA A 596 2.444 -3.601 -5.881 1.00 0.00 O ATOM 857 CB ALA A 596 0.017 -3.337 -8.222 1.00 0.00 C ATOM 0 H ALA A 596 -1.363 -5.068 -7.137 1.00 0.00 H new ATOM 0 HA ALA A 596 1.383 -4.904 -7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 596 0.797 -2.648 -8.547 1.00 0.00 H new ATOM 0 HB2 ALA A 596 -0.381 -3.868 -9.087 1.00 0.00 H new ATOM 0 HB3 ALA A 596 -0.784 -2.777 -7.740 1.00 0.00 H new ATOM 863 N ILE A 597 0.367 -3.037 -5.220 1.00 0.00 N ATOM 864 CA ILE A 597 0.817 -2.325 -4.033 1.00 0.00 C ATOM 865 C ILE A 597 1.606 -3.260 -3.123 1.00 0.00 C ATOM 866 O ILE A 597 2.692 -2.918 -2.655 1.00 0.00 O ATOM 867 CB ILE A 597 -0.374 -1.726 -3.255 1.00 0.00 C ATOM 868 CG1 ILE A 597 -1.179 -0.792 -4.161 1.00 0.00 C ATOM 869 CG2 ILE A 597 0.109 -0.982 -2.019 1.00 0.00 C ATOM 870 CD1 ILE A 597 -2.503 -0.365 -3.565 1.00 0.00 C ATOM 0 H ILE A 597 -0.645 -3.046 -5.348 1.00 0.00 H new ATOM 0 HA ILE A 597 1.461 -1.508 -4.359 1.00 0.00 H new ATOM 0 HB ILE A 597 -1.020 -2.542 -2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 597 -0.583 0.095 -4.376 1.00 0.00 H new ATOM 0 HG13 ILE A 597 -1.362 -1.291 -5.113 1.00 0.00 H new ATOM 0 HG21 ILE A 597 -0.747 -0.568 -1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 597 0.645 -1.671 -1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 597 0.776 -0.173 -2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 597 -3.019 0.296 -4.262 1.00 0.00 H new ATOM 0 HD12 ILE A 597 -3.118 -1.245 -3.376 1.00 0.00 H new ATOM 0 HD13 ILE A 597 -2.327 0.163 -2.628 1.00 0.00 H new ATOM 882 N TRP A 598 1.060 -4.453 -2.893 1.00 0.00 N ATOM 883 CA TRP A 598 1.722 -5.447 -2.054 1.00 0.00 C ATOM 884 C TRP A 598 3.129 -5.725 -2.569 1.00 0.00 C ATOM 885 O TRP A 598 4.083 -5.793 -1.794 1.00 0.00 O ATOM 886 CB TRP A 598 0.913 -6.746 -2.023 1.00 0.00 C ATOM 887 CG TRP A 598 1.523 -7.805 -1.154 1.00 0.00 C ATOM 888 CD1 TRP A 598 1.973 -7.654 0.125 1.00 0.00 C ATOM 889 CD2 TRP A 598 1.750 -9.174 -1.502 1.00 0.00 C ATOM 890 NE1 TRP A 598 2.466 -8.846 0.595 1.00 0.00 N ATOM 891 CE2 TRP A 598 2.341 -9.796 -0.386 1.00 0.00 C ATOM 892 CE3 TRP A 598 1.511 -9.937 -2.650 1.00 0.00 C ATOM 893 CZ2 TRP A 598 2.696 -11.142 -0.384 1.00 0.00 C ATOM 894 CZ3 TRP A 598 1.865 -11.274 -2.646 1.00 0.00 C ATOM 895 CH2 TRP A 598 2.450 -11.864 -1.520 1.00 0.00 C ATOM 0 H TRP A 598 0.163 -4.753 -3.275 1.00 0.00 H new ATOM 0 HA TRP A 598 1.789 -5.050 -1.041 1.00 0.00 H new ATOM 0 HB2 TRP A 598 -0.094 -6.530 -1.667 1.00 0.00 H new ATOM 0 HB3 TRP A 598 0.817 -7.130 -3.039 1.00 0.00 H new ATOM 0 HD1 TRP A 598 1.945 -6.731 0.686 1.00 0.00 H new ATOM 0 HE1 TRP A 598 2.861 -9.000 1.523 1.00 0.00 H new ATOM 0 HE3 TRP A 598 1.059 -9.490 -3.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 3.149 -11.600 0.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 1.687 -11.873 -3.527 1.00 0.00 H new ATOM 0 HH2 TRP A 598 2.713 -12.911 -1.548 1.00 0.00 H new ATOM 906 N LYS A 599 3.252 -5.868 -3.886 1.00 0.00 N ATOM 907 CA LYS A 599 4.545 -6.122 -4.507 1.00 0.00 C ATOM 908 C LYS A 599 5.517 -5.000 -4.166 1.00 0.00 C ATOM 909 O LYS A 599 6.671 -5.246 -3.814 1.00 0.00 O ATOM 910 CB LYS A 599 4.396 -6.242 -6.024 1.00 0.00 C ATOM 911 CG LYS A 599 5.370 -7.224 -6.656 1.00 0.00 C ATOM 912 CD LYS A 599 4.786 -7.862 -7.905 1.00 0.00 C ATOM 913 CE LYS A 599 5.820 -8.706 -8.634 1.00 0.00 C ATOM 914 NZ LYS A 599 6.290 -9.850 -7.804 1.00 0.00 N ATOM 0 H LYS A 599 2.472 -5.812 -4.541 1.00 0.00 H new ATOM 0 HA LYS A 599 4.937 -7.063 -4.121 1.00 0.00 H new ATOM 0 HB2 LYS A 599 3.378 -6.553 -6.257 1.00 0.00 H new ATOM 0 HB3 LYS A 599 4.541 -5.260 -6.474 1.00 0.00 H new ATOM 0 HG2 LYS A 599 6.296 -6.708 -6.909 1.00 0.00 H new ATOM 0 HG3 LYS A 599 5.625 -8.000 -5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 599 3.933 -8.484 -7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 599 4.413 -7.085 -8.572 1.00 0.00 H new ATOM 0 HE2 LYS A 599 5.391 -9.083 -9.562 1.00 0.00 H new ATOM 0 HE3 LYS A 599 6.671 -8.082 -8.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 599 6.929 -10.448 -8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 599 6.797 -9.489 -6.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 599 5.472 -10.413 -7.494 1.00 0.00 H new ATOM 928 N GLY A 600 5.034 -3.764 -4.260 1.00 0.00 N ATOM 929 CA GLY A 600 5.867 -2.619 -3.945 1.00 0.00 C ATOM 930 C GLY A 600 6.377 -2.664 -2.518 1.00 0.00 C ATOM 931 O GLY A 600 7.530 -2.326 -2.253 1.00 0.00 O ATOM 0 H GLY A 600 4.082 -3.536 -4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 600 6.713 -2.586 -4.632 1.00 0.00 H new ATOM 0 HA3 GLY A 600 5.297 -1.703 -4.098 1.00 0.00 H new ATOM 935 N ILE A 601 5.515 -3.089 -1.597 1.00 0.00 N ATOM 936 CA ILE A 601 5.886 -3.185 -0.191 1.00 0.00 C ATOM 937 C ILE A 601 6.939 -4.268 0.021 1.00 0.00 C ATOM 938 O ILE A 601 7.888 -4.086 0.782 1.00 0.00 O ATOM 939 CB ILE A 601 4.664 -3.497 0.700 1.00 0.00 C ATOM 940 CG1 ILE A 601 3.529 -2.510 0.422 1.00 0.00 C ATOM 941 CG2 ILE A 601 5.056 -3.456 2.170 1.00 0.00 C ATOM 942 CD1 ILE A 601 3.886 -1.074 0.735 1.00 0.00 C ATOM 0 H ILE A 601 4.556 -3.372 -1.801 1.00 0.00 H new ATOM 0 HA ILE A 601 6.294 -2.215 0.094 1.00 0.00 H new ATOM 0 HB ILE A 601 4.312 -4.501 0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 601 3.243 -2.584 -0.627 1.00 0.00 H new ATOM 0 HG13 ILE A 601 2.658 -2.796 1.011 1.00 0.00 H new ATOM 0 HG21 ILE A 601 4.184 -3.678 2.785 1.00 0.00 H new ATOM 0 HG22 ILE A 601 5.833 -4.197 2.360 1.00 0.00 H new ATOM 0 HG23 ILE A 601 5.433 -2.464 2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 601 3.034 -0.431 0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 601 4.144 -0.985 1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 601 4.738 -0.770 0.127 1.00 0.00 H new ATOM 954 N LEU A 602 6.762 -5.397 -0.660 1.00 0.00 N ATOM 955 CA LEU A 602 7.693 -6.512 -0.549 1.00 0.00 C ATOM 956 C LEU A 602 9.103 -6.092 -0.949 1.00 0.00 C ATOM 957 O LEU A 602 10.067 -6.357 -0.231 1.00 0.00 O ATOM 958 CB LEU A 602 7.227 -7.676 -1.426 1.00 0.00 C ATOM 959 CG LEU A 602 6.208 -8.611 -0.774 1.00 0.00 C ATOM 960 CD1 LEU A 602 5.441 -9.387 -1.835 1.00 0.00 C ATOM 961 CD2 LEU A 602 6.901 -9.564 0.189 1.00 0.00 C ATOM 0 H LEU A 602 5.981 -5.562 -1.295 1.00 0.00 H new ATOM 0 HA LEU A 602 7.714 -6.832 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 602 6.793 -7.271 -2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 602 8.098 -8.261 -1.719 1.00 0.00 H new ATOM 0 HG LEU A 602 5.497 -8.008 -0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 602 4.720 -10.047 -1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 602 4.915 -8.689 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 602 6.138 -9.981 -2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 602 6.161 -10.223 0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 602 7.633 -10.161 -0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 602 7.405 -8.992 0.967 1.00 0.00 H new ATOM 973 N ASP A 603 9.217 -5.435 -2.098 1.00 0.00 N ATOM 974 CA ASP A 603 10.511 -4.978 -2.591 1.00 0.00 C ATOM 975 C ASP A 603 11.176 -4.039 -1.589 1.00 0.00 C ATOM 976 O ASP A 603 12.402 -3.986 -1.492 1.00 0.00 O ATOM 977 CB ASP A 603 10.345 -4.272 -3.939 1.00 0.00 C ATOM 978 CG ASP A 603 10.607 -5.198 -5.111 1.00 0.00 C ATOM 979 OD1 ASP A 603 11.590 -4.964 -5.845 1.00 0.00 O ATOM 980 OD2 ASP A 603 9.829 -6.159 -5.294 1.00 0.00 O ATOM 0 H ASP A 603 8.430 -5.207 -2.705 1.00 0.00 H new ATOM 0 HA ASP A 603 11.151 -5.851 -2.722 1.00 0.00 H new ATOM 0 HB2 ASP A 603 9.334 -3.871 -4.015 1.00 0.00 H new ATOM 0 HB3 ASP A 603 11.028 -3.424 -3.989 1.00 0.00 H new ATOM 985 N HIS A 604 10.358 -3.301 -0.845 1.00 0.00 N ATOM 986 CA HIS A 604 10.867 -2.364 0.150 1.00 0.00 C ATOM 987 C HIS A 604 11.316 -3.097 1.410 1.00 0.00 C ATOM 988 O HIS A 604 12.241 -2.663 2.097 1.00 0.00 O ATOM 989 CB HIS A 604 9.795 -1.331 0.502 1.00 0.00 C ATOM 990 CG HIS A 604 10.353 0.011 0.862 1.00 0.00 C ATOM 991 ND1 HIS A 604 11.434 0.574 0.219 1.00 0.00 N ATOM 992 CD2 HIS A 604 9.972 0.904 1.807 1.00 0.00 C ATOM 993 CE1 HIS A 604 11.696 1.753 0.753 1.00 0.00 C ATOM 994 NE2 HIS A 604 10.823 1.978 1.717 1.00 0.00 N ATOM 0 H HIS A 604 9.341 -3.334 -0.912 1.00 0.00 H new ATOM 0 HA HIS A 604 11.730 -1.853 -0.277 1.00 0.00 H new ATOM 0 HB2 HIS A 604 9.118 -1.219 -0.345 1.00 0.00 H new ATOM 0 HB3 HIS A 604 9.202 -1.705 1.337 1.00 0.00 H new ATOM 0 HD1 HIS A 604 11.951 0.147 -0.549 1.00 0.00 H new ATOM 0 HD2 HIS A 604 9.152 0.792 2.501 1.00 0.00 H new ATOM 0 HE1 HIS A 604 12.490 2.420 0.452 1.00 0.00 H new ATOM 1003 N ARG A 605 10.654 -4.210 1.710 1.00 0.00 N ATOM 1004 CA ARG A 605 10.985 -5.003 2.888 1.00 0.00 C ATOM 1005 C ARG A 605 12.369 -5.631 2.754 1.00 0.00 C ATOM 1006 O ARG A 605 13.048 -5.876 3.751 1.00 0.00 O ATOM 1007 CB ARG A 605 9.936 -6.095 3.105 1.00 0.00 C ATOM 1008 CG ARG A 605 9.608 -6.343 4.569 1.00 0.00 C ATOM 1009 CD ARG A 605 8.446 -7.311 4.724 1.00 0.00 C ATOM 1010 NE ARG A 605 8.515 -8.052 5.980 1.00 0.00 N ATOM 1011 CZ ARG A 605 7.831 -9.168 6.222 1.00 0.00 C ATOM 1012 NH1 ARG A 605 7.028 -9.676 5.295 1.00 0.00 N ATOM 1013 NH2 ARG A 605 7.950 -9.778 7.393 1.00 0.00 N ATOM 0 H ARG A 605 9.885 -4.583 1.153 1.00 0.00 H new ATOM 0 HA ARG A 605 10.991 -4.337 3.751 1.00 0.00 H new ATOM 0 HB2 ARG A 605 9.022 -5.819 2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 605 10.293 -7.023 2.659 1.00 0.00 H new ATOM 0 HG2 ARG A 605 10.486 -6.743 5.077 1.00 0.00 H new ATOM 0 HG3 ARG A 605 9.362 -5.398 5.053 1.00 0.00 H new ATOM 0 HD2 ARG A 605 7.507 -6.760 4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 605 8.444 -8.012 3.889 1.00 0.00 H new ATOM 0 HE ARG A 605 9.123 -7.693 6.716 1.00 0.00 H new ATOM 0 HH11 ARG A 605 6.933 -9.211 4.392 1.00 0.00 H new ATOM 0 HH12 ARG A 605 6.506 -10.531 5.486 1.00 0.00 H new ATOM 0 HH21 ARG A 605 8.566 -9.392 8.109 1.00 0.00 H new ATOM 0 HH22 ARG A 605 7.426 -10.633 7.578 1.00 0.00 H new ATOM 1027 N GLN A 606 12.780 -5.892 1.518 1.00 0.00 N ATOM 1028 CA GLN A 606 14.083 -6.493 1.255 1.00 0.00 C ATOM 1029 C GLN A 606 15.205 -5.642 1.839 1.00 0.00 C ATOM 1030 O GLN A 606 16.248 -6.162 2.236 1.00 0.00 O ATOM 1031 CB GLN A 606 14.291 -6.670 -0.250 1.00 0.00 C ATOM 1032 CG GLN A 606 13.350 -7.684 -0.879 1.00 0.00 C ATOM 1033 CD GLN A 606 13.867 -9.106 -0.769 1.00 0.00 C ATOM 1034 OE1 GLN A 606 13.198 -9.980 -0.219 1.00 0.00 O ATOM 1035 NE2 GLN A 606 15.063 -9.342 -1.294 1.00 0.00 N ATOM 0 H GLN A 606 12.230 -5.697 0.682 1.00 0.00 H new ATOM 0 HA GLN A 606 14.107 -7.471 1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 606 14.156 -5.707 -0.743 1.00 0.00 H new ATOM 0 HB3 GLN A 606 15.320 -6.980 -0.432 1.00 0.00 H new ATOM 0 HG2 GLN A 606 12.375 -7.617 -0.396 1.00 0.00 H new ATOM 0 HG3 GLN A 606 13.203 -7.435 -1.930 1.00 0.00 H new ATOM 0 HE21 GLN A 606 15.582 -8.586 -1.741 1.00 0.00 H new ATOM 0 HE22 GLN A 606 15.463 -10.279 -1.251 1.00 0.00 H new ATOM 1044 N LEU A 607 14.986 -4.333 1.887 1.00 0.00 N ATOM 1045 CA LEU A 607 15.980 -3.410 2.422 1.00 0.00 C ATOM 1046 C LEU A 607 16.266 -3.711 3.890 1.00 0.00 C ATOM 1047 O LEU A 607 17.408 -3.626 4.341 1.00 0.00 O ATOM 1048 CB LEU A 607 15.502 -1.965 2.271 1.00 0.00 C ATOM 1049 CG LEU A 607 15.424 -1.458 0.830 1.00 0.00 C ATOM 1050 CD1 LEU A 607 14.733 -0.104 0.777 1.00 0.00 C ATOM 1051 CD2 LEU A 607 16.815 -1.373 0.220 1.00 0.00 C ATOM 0 H LEU A 607 14.128 -3.887 1.562 1.00 0.00 H new ATOM 0 HA LEU A 607 16.902 -3.541 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 607 14.516 -1.875 2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 607 16.173 -1.315 2.833 1.00 0.00 H new ATOM 0 HG LEU A 607 14.835 -2.166 0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 607 14.687 0.241 -0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 607 13.722 -0.196 1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 607 15.294 0.615 1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 607 16.741 -1.011 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 607 17.427 -0.686 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 607 17.275 -2.361 0.223 1.00 0.00 H new ATOM 1063 N HIS A 608 15.220 -4.062 4.631 1.00 0.00 N ATOM 1064 CA HIS A 608 15.359 -4.375 6.049 1.00 0.00 C ATOM 1065 C HIS A 608 15.654 -5.858 6.252 1.00 0.00 C ATOM 1066 O HIS A 608 16.491 -6.228 7.075 1.00 0.00 O ATOM 1067 CB HIS A 608 14.086 -3.987 6.805 1.00 0.00 C ATOM 1068 CG HIS A 608 14.165 -2.643 7.459 1.00 0.00 C ATOM 1069 ND1 HIS A 608 14.708 -1.536 6.842 1.00 0.00 N ATOM 1070 CD2 HIS A 608 13.765 -2.229 8.685 1.00 0.00 C ATOM 1071 CE1 HIS A 608 14.639 -0.499 7.659 1.00 0.00 C ATOM 1072 NE2 HIS A 608 14.071 -0.894 8.783 1.00 0.00 N ATOM 0 H HIS A 608 14.268 -4.137 4.274 1.00 0.00 H new ATOM 0 HA HIS A 608 16.197 -3.800 6.443 1.00 0.00 H new ATOM 0 HB2 HIS A 608 13.245 -3.996 6.112 1.00 0.00 H new ATOM 0 HB3 HIS A 608 13.881 -4.741 7.565 1.00 0.00 H new ATOM 0 HD2 HIS A 608 13.293 -2.836 9.444 1.00 0.00 H new ATOM 0 HE1 HIS A 608 14.988 0.500 7.444 1.00 0.00 H new ATOM 0 HE2 HIS A 608 13.889 -0.303 9.594 1.00 0.00 H new ATOM 1081 N GLU A 609 14.959 -6.704 5.497 1.00 0.00 N ATOM 1082 CA GLU A 609 15.146 -8.147 5.595 1.00 0.00 C ATOM 1083 C GLU A 609 16.064 -8.652 4.486 1.00 0.00 C ATOM 1084 O GLU A 609 15.612 -8.958 3.384 1.00 0.00 O ATOM 1085 CB GLU A 609 13.796 -8.862 5.524 1.00 0.00 C ATOM 1086 CG GLU A 609 13.674 -10.029 6.491 1.00 0.00 C ATOM 1087 CD GLU A 609 13.735 -11.375 5.793 1.00 0.00 C ATOM 1088 OE1 GLU A 609 14.857 -11.877 5.568 1.00 0.00 O ATOM 1089 OE2 GLU A 609 12.661 -11.925 5.472 1.00 0.00 O ATOM 0 H GLU A 609 14.262 -6.415 4.811 1.00 0.00 H new ATOM 0 HA GLU A 609 15.614 -8.365 6.555 1.00 0.00 H new ATOM 0 HB2 GLU A 609 13.003 -8.144 5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 609 13.639 -9.225 4.508 1.00 0.00 H new ATOM 0 HG2 GLU A 609 14.474 -9.970 7.229 1.00 0.00 H new ATOM 0 HG3 GLU A 609 12.733 -9.948 7.035 1.00 0.00 H new ATOM 1096 N PHE A 610 17.356 -8.737 4.788 1.00 0.00 N ATOM 1097 CA PHE A 610 18.339 -9.205 3.818 1.00 0.00 C ATOM 1098 C PHE A 610 18.121 -10.678 3.486 1.00 0.00 C ATOM 1099 O PHE A 610 17.364 -11.372 4.166 1.00 0.00 O ATOM 1100 CB PHE A 610 19.755 -8.997 4.356 1.00 0.00 C ATOM 1101 CG PHE A 610 20.033 -9.754 5.623 1.00 0.00 C ATOM 1102 CD1 PHE A 610 20.198 -11.130 5.602 1.00 0.00 C ATOM 1103 CD2 PHE A 610 20.130 -9.089 6.836 1.00 0.00 C ATOM 1104 CE1 PHE A 610 20.452 -11.829 6.766 1.00 0.00 C ATOM 1105 CE2 PHE A 610 20.384 -9.783 8.003 1.00 0.00 C ATOM 1106 CZ PHE A 610 20.547 -11.155 7.968 1.00 0.00 C ATOM 0 H PHE A 610 17.746 -8.488 5.697 1.00 0.00 H new ATOM 0 HA PHE A 610 18.214 -8.624 2.904 1.00 0.00 H new ATOM 0 HB2 PHE A 610 20.473 -9.303 3.595 1.00 0.00 H new ATOM 0 HB3 PHE A 610 19.914 -7.934 4.535 1.00 0.00 H new ATOM 0 HD1 PHE A 610 20.127 -11.662 4.665 1.00 0.00 H new ATOM 0 HD2 PHE A 610 20.006 -8.017 6.869 1.00 0.00 H new ATOM 0 HE1 PHE A 610 20.576 -12.901 6.736 1.00 0.00 H new ATOM 0 HE2 PHE A 610 20.455 -9.254 8.942 1.00 0.00 H new ATOM 0 HZ PHE A 610 20.748 -11.699 8.879 1.00 0.00 H new ATOM 1116 N SER A 611 18.788 -11.148 2.436 1.00 0.00 N ATOM 1117 CA SER A 611 18.667 -12.539 2.014 1.00 0.00 C ATOM 1118 C SER A 611 19.979 -13.042 1.419 1.00 0.00 C ATOM 1119 O SER A 611 20.673 -12.310 0.713 1.00 0.00 O ATOM 1120 CB SER A 611 17.540 -12.687 0.991 1.00 0.00 C ATOM 1121 OG SER A 611 16.318 -13.025 1.625 1.00 0.00 O ATOM 0 H SER A 611 19.417 -10.586 1.862 1.00 0.00 H new ATOM 0 HA SER A 611 18.432 -13.141 2.892 1.00 0.00 H new ATOM 0 HB2 SER A 611 17.421 -11.755 0.438 1.00 0.00 H new ATOM 0 HB3 SER A 611 17.802 -13.457 0.265 1.00 0.00 H new ATOM 0 HG SER A 611 16.306 -12.652 2.531 1.00 0.00 H new ATOM 1127 N SER A 612 20.313 -14.296 1.710 1.00 0.00 N ATOM 1128 CA SER A 612 21.542 -14.895 1.203 1.00 0.00 C ATOM 1129 C SER A 612 21.237 -16.092 0.304 1.00 0.00 C ATOM 1130 O SER A 612 21.152 -17.226 0.775 1.00 0.00 O ATOM 1131 CB SER A 612 22.436 -15.333 2.365 1.00 0.00 C ATOM 1132 OG SER A 612 23.790 -15.429 1.960 1.00 0.00 O ATOM 0 H SER A 612 19.750 -14.916 2.293 1.00 0.00 H new ATOM 0 HA SER A 612 22.065 -14.143 0.611 1.00 0.00 H new ATOM 0 HB2 SER A 612 22.348 -14.619 3.184 1.00 0.00 H new ATOM 0 HB3 SER A 612 22.098 -16.297 2.745 1.00 0.00 H new ATOM 0 HG SER A 612 23.993 -16.356 1.714 1.00 0.00 H new ATOM 1138 N PRO A 613 21.066 -15.854 -1.008 1.00 0.00 N ATOM 1139 CA PRO A 613 20.770 -16.920 -1.971 1.00 0.00 C ATOM 1140 C PRO A 613 21.809 -18.036 -1.936 1.00 0.00 C ATOM 1141 O PRO A 613 22.927 -17.841 -1.461 1.00 0.00 O ATOM 1142 CB PRO A 613 20.804 -16.204 -3.324 1.00 0.00 C ATOM 1143 CG PRO A 613 20.540 -14.773 -3.007 1.00 0.00 C ATOM 1144 CD PRO A 613 21.149 -14.532 -1.655 1.00 0.00 C ATOM 0 HA PRO A 613 19.818 -17.406 -1.756 1.00 0.00 H new ATOM 0 HB2 PRO A 613 21.770 -16.329 -3.813 1.00 0.00 H new ATOM 0 HB3 PRO A 613 20.050 -16.604 -4.002 1.00 0.00 H new ATOM 0 HG2 PRO A 613 20.983 -14.118 -3.757 1.00 0.00 H new ATOM 0 HG3 PRO A 613 19.470 -14.566 -2.996 1.00 0.00 H new ATOM 0 HD2 PRO A 613 22.180 -14.186 -1.733 1.00 0.00 H new ATOM 0 HD3 PRO A 613 20.600 -13.775 -1.095 1.00 0.00 H new ATOM 1152 N SER A 614 21.431 -19.206 -2.443 1.00 0.00 N ATOM 1153 CA SER A 614 22.330 -20.356 -2.472 1.00 0.00 C ATOM 1154 C SER A 614 22.686 -20.809 -1.058 1.00 0.00 C ATOM 1155 O SER A 614 22.122 -21.776 -0.546 1.00 0.00 O ATOM 1156 CB SER A 614 23.603 -20.016 -3.253 1.00 0.00 C ATOM 1157 OG SER A 614 23.639 -20.702 -4.492 1.00 0.00 O ATOM 0 H SER A 614 20.508 -19.383 -2.840 1.00 0.00 H new ATOM 0 HA SER A 614 21.815 -21.175 -2.973 1.00 0.00 H new ATOM 0 HB2 SER A 614 23.650 -18.941 -3.427 1.00 0.00 H new ATOM 0 HB3 SER A 614 24.479 -20.282 -2.661 1.00 0.00 H new ATOM 0 HG SER A 614 24.460 -20.467 -4.972 1.00 0.00 H new ATOM 1163 N HIS A 615 23.626 -20.107 -0.433 1.00 0.00 N ATOM 1164 CA HIS A 615 24.058 -20.439 0.920 1.00 0.00 C ATOM 1165 C HIS A 615 23.522 -19.429 1.929 1.00 0.00 C ATOM 1166 O HIS A 615 23.245 -18.280 1.584 1.00 0.00 O ATOM 1167 CB HIS A 615 25.585 -20.488 0.993 1.00 0.00 C ATOM 1168 CG HIS A 615 26.255 -19.327 0.328 1.00 0.00 C ATOM 1169 ND1 HIS A 615 25.660 -18.090 0.188 1.00 0.00 N ATOM 1170 CD2 HIS A 615 27.481 -19.216 -0.238 1.00 0.00 C ATOM 1171 CE1 HIS A 615 26.488 -17.272 -0.436 1.00 0.00 C ATOM 1172 NE2 HIS A 615 27.600 -17.930 -0.706 1.00 0.00 N ATOM 0 H HIS A 615 24.103 -19.304 -0.842 1.00 0.00 H new ATOM 0 HA HIS A 615 23.657 -21.421 1.170 1.00 0.00 H new ATOM 0 HB2 HIS A 615 25.889 -20.522 2.039 1.00 0.00 H new ATOM 0 HB3 HIS A 615 25.933 -21.411 0.530 1.00 0.00 H new ATOM 0 HD1 HIS A 615 24.726 -17.845 0.516 1.00 0.00 H new ATOM 0 HD2 HIS A 615 28.226 -19.994 -0.308 1.00 0.00 H new ATOM 0 HE1 HIS A 615 26.289 -16.240 -0.683 1.00 0.00 H new ATOM 1181 N LEU A 616 23.380 -19.863 3.177 1.00 0.00 N ATOM 1182 CA LEU A 616 22.878 -18.995 4.235 1.00 0.00 C ATOM 1183 C LEU A 616 24.030 -18.380 5.026 1.00 0.00 C ATOM 1184 O LEU A 616 23.977 -18.290 6.252 1.00 0.00 O ATOM 1185 CB LEU A 616 21.955 -19.779 5.171 1.00 0.00 C ATOM 1186 CG LEU A 616 20.626 -19.092 5.492 1.00 0.00 C ATOM 1187 CD1 LEU A 616 19.762 -19.984 6.370 1.00 0.00 C ATOM 1188 CD2 LEU A 616 20.869 -17.751 6.167 1.00 0.00 C ATOM 0 H LEU A 616 23.606 -20.810 3.480 1.00 0.00 H new ATOM 0 HA LEU A 616 22.310 -18.188 3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 616 21.746 -20.750 4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 616 22.484 -19.968 6.105 1.00 0.00 H new ATOM 0 HG LEU A 616 20.095 -18.915 4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 616 18.821 -19.479 6.588 1.00 0.00 H new ATOM 0 HD12 LEU A 616 19.559 -20.920 5.850 1.00 0.00 H new ATOM 0 HD13 LEU A 616 20.286 -20.193 7.303 1.00 0.00 H new ATOM 0 HD21 LEU A 616 19.913 -17.276 6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 616 21.421 -17.905 7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 616 21.448 -17.109 5.503 1.00 0.00 H new ATOM 1200 N LEU A 617 25.071 -17.958 4.314 1.00 0.00 N ATOM 1201 CA LEU A 617 26.235 -17.351 4.949 1.00 0.00 C ATOM 1202 C LEU A 617 26.000 -15.865 5.204 1.00 0.00 C ATOM 1203 O LEU A 617 24.903 -15.353 4.984 1.00 0.00 O ATOM 1204 CB LEU A 617 27.476 -17.544 4.073 1.00 0.00 C ATOM 1205 CG LEU A 617 28.487 -18.566 4.597 1.00 0.00 C ATOM 1206 CD1 LEU A 617 29.081 -18.102 5.917 1.00 0.00 C ATOM 1207 CD2 LEU A 617 27.830 -19.929 4.755 1.00 0.00 C ATOM 0 H LEU A 617 25.132 -18.025 3.298 1.00 0.00 H new ATOM 0 HA LEU A 617 26.397 -17.843 5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 617 27.155 -17.851 3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 617 27.978 -16.583 3.964 1.00 0.00 H new ATOM 0 HG LEU A 617 29.296 -18.655 3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 617 29.798 -18.842 6.274 1.00 0.00 H new ATOM 0 HD12 LEU A 617 29.587 -17.147 5.773 1.00 0.00 H new ATOM 0 HD13 LEU A 617 28.285 -17.984 6.652 1.00 0.00 H new ATOM 0 HD21 LEU A 617 28.562 -20.645 5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 617 27.003 -19.855 5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 617 27.454 -20.266 3.789 1.00 0.00 H new ATOM 1219 N ARG A 618 27.039 -15.177 5.669 1.00 0.00 N ATOM 1220 CA ARG A 618 26.947 -13.750 5.954 1.00 0.00 C ATOM 1221 C ARG A 618 27.957 -12.964 5.124 1.00 0.00 C ATOM 1222 O ARG A 618 29.150 -13.267 5.130 1.00 0.00 O ATOM 1223 CB ARG A 618 27.178 -13.489 7.443 1.00 0.00 C ATOM 1224 CG ARG A 618 26.107 -14.091 8.340 1.00 0.00 C ATOM 1225 CD ARG A 618 25.256 -13.017 9.000 1.00 0.00 C ATOM 1226 NE ARG A 618 24.383 -12.341 8.042 1.00 0.00 N ATOM 1227 CZ ARG A 618 24.633 -11.142 7.516 1.00 0.00 C ATOM 1228 NH1 ARG A 618 25.736 -10.475 7.841 1.00 0.00 N ATOM 1229 NH2 ARG A 618 23.776 -10.606 6.658 1.00 0.00 N ATOM 0 H ARG A 618 27.955 -15.586 5.856 1.00 0.00 H new ATOM 0 HA ARG A 618 25.945 -13.415 5.686 1.00 0.00 H new ATOM 0 HB2 ARG A 618 28.149 -13.894 7.728 1.00 0.00 H new ATOM 0 HB3 ARG A 618 27.220 -12.413 7.613 1.00 0.00 H new ATOM 0 HG2 ARG A 618 25.469 -14.751 7.752 1.00 0.00 H new ATOM 0 HG3 ARG A 618 26.578 -14.705 9.108 1.00 0.00 H new ATOM 0 HD2 ARG A 618 24.650 -13.467 9.786 1.00 0.00 H new ATOM 0 HD3 ARG A 618 25.905 -12.284 9.478 1.00 0.00 H new ATOM 0 HE ARG A 618 23.527 -12.818 7.758 1.00 0.00 H new ATOM 0 HH11 ARG A 618 26.402 -10.880 8.499 1.00 0.00 H new ATOM 0 HH12 ARG A 618 25.917 -9.558 7.432 1.00 0.00 H new ATOM 0 HH21 ARG A 618 22.928 -11.111 6.402 1.00 0.00 H new ATOM 0 HH22 ARG A 618 23.965 -9.689 6.254 1.00 0.00 H new ATOM 1243 N THR A 619 27.472 -11.952 4.413 1.00 0.00 N ATOM 1244 CA THR A 619 28.332 -11.121 3.578 1.00 0.00 C ATOM 1245 C THR A 619 28.276 -9.660 4.026 1.00 0.00 C ATOM 1246 O THR A 619 27.230 -9.017 3.939 1.00 0.00 O ATOM 1247 CB THR A 619 27.911 -11.230 2.112 1.00 0.00 C ATOM 1248 OG1 THR A 619 26.507 -11.095 1.982 1.00 0.00 O ATOM 1249 CG2 THR A 619 28.306 -12.545 1.472 1.00 0.00 C ATOM 0 H THR A 619 26.487 -11.687 4.398 1.00 0.00 H new ATOM 0 HA THR A 619 29.356 -11.478 3.684 1.00 0.00 H new ATOM 0 HB THR A 619 28.435 -10.423 1.600 1.00 0.00 H new ATOM 0 HG1 THR A 619 26.186 -10.405 2.600 1.00 0.00 H new ATOM 0 HG21 THR A 619 27.978 -12.557 0.433 1.00 0.00 H new ATOM 0 HG22 THR A 619 29.389 -12.658 1.512 1.00 0.00 H new ATOM 0 HG23 THR A 619 27.836 -13.368 2.011 1.00 0.00 H new ATOM 1257 N PRO A 620 29.405 -9.109 4.514 1.00 0.00 N ATOM 1258 CA PRO A 620 29.466 -7.717 4.972 1.00 0.00 C ATOM 1259 C PRO A 620 29.348 -6.724 3.820 1.00 0.00 C ATOM 1260 O PRO A 620 30.341 -6.142 3.383 1.00 0.00 O ATOM 1261 CB PRO A 620 30.847 -7.618 5.626 1.00 0.00 C ATOM 1262 CG PRO A 620 31.658 -8.674 4.962 1.00 0.00 C ATOM 1263 CD PRO A 620 30.704 -9.795 4.657 1.00 0.00 C ATOM 0 HA PRO A 620 28.644 -7.472 5.644 1.00 0.00 H new ATOM 0 HB2 PRO A 620 31.285 -6.631 5.478 1.00 0.00 H new ATOM 0 HB3 PRO A 620 30.788 -7.782 6.702 1.00 0.00 H new ATOM 0 HG2 PRO A 620 32.121 -8.296 4.050 1.00 0.00 H new ATOM 0 HG3 PRO A 620 32.465 -9.013 5.612 1.00 0.00 H new ATOM 0 HD2 PRO A 620 30.982 -10.323 3.745 1.00 0.00 H new ATOM 0 HD3 PRO A 620 30.682 -10.534 5.458 1.00 0.00 H new ATOM 1271 N SER A 621 28.125 -6.534 3.334 1.00 0.00 N ATOM 1272 CA SER A 621 27.876 -5.611 2.233 1.00 0.00 C ATOM 1273 C SER A 621 28.659 -6.021 0.990 1.00 0.00 C ATOM 1274 O SER A 621 29.765 -5.536 0.753 1.00 0.00 O ATOM 1275 CB SER A 621 28.252 -4.185 2.640 1.00 0.00 C ATOM 1276 OG SER A 621 27.147 -3.511 3.217 1.00 0.00 O ATOM 0 H SER A 621 27.292 -7.007 3.685 1.00 0.00 H new ATOM 0 HA SER A 621 26.812 -5.646 1.997 1.00 0.00 H new ATOM 0 HB2 SER A 621 29.077 -4.212 3.352 1.00 0.00 H new ATOM 0 HB3 SER A 621 28.602 -3.635 1.767 1.00 0.00 H new ATOM 0 HG SER A 621 27.414 -2.603 3.470 1.00 0.00 H new ATOM 1282 N SER A 622 28.078 -6.917 0.198 1.00 0.00 N ATOM 1283 CA SER A 622 28.721 -7.392 -1.022 1.00 0.00 C ATOM 1284 C SER A 622 27.904 -7.011 -2.252 1.00 0.00 C ATOM 1285 O SER A 622 28.162 -7.580 -3.333 1.00 0.00 O ATOM 1286 CB SER A 622 28.906 -8.910 -0.969 1.00 0.00 C ATOM 1287 OG SER A 622 27.660 -9.580 -1.056 1.00 0.00 O ATOM 1288 OXT SER A 622 27.011 -6.147 -2.122 1.00 0.00 O ATOM 0 H SER A 622 27.163 -7.329 0.380 1.00 0.00 H new ATOM 0 HA SER A 622 29.699 -6.916 -1.096 1.00 0.00 H new ATOM 0 HB2 SER A 622 29.552 -9.229 -1.787 1.00 0.00 H new ATOM 0 HB3 SER A 622 29.407 -9.186 -0.041 1.00 0.00 H new ATOM 0 HG SER A 622 27.806 -10.548 -1.022 1.00 0.00 H new TER 1294 SER A 622