USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=26 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 581 MET CE :methyl -174:sc= -2.42 (180deg=-1.7) USER MOD Set 1.2: A 595 HIS : no HD1:sc= -0.528 K(o=-3,f=-1.8) USER MOD Set 2.1: A 574 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 608 HIS : no HD1:sc= -0.143 K(o=-0.14,f=-0.76) USER MOD Set 3.1: A 548 SER OG : rot 180:sc= 0.291 USER MOD Set 3.2: A 551 SER OG : rot 180:sc= -0.017 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 100:sc= -0.491 USER MOD Single : A 547 CYS SG : rot 170:sc= -2.75 USER MOD Single : A 558 CYS SG : rot 4:sc= 0.138 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 -37:sc= -0.638 USER MOD Single : A 564 TYR OH : rot 180:sc= 0 USER MOD Single : A 566 THR OG1 : rot 36:sc= -0.162 USER MOD Single : A 567 THR OG1 : rot 63:sc= -0.834 USER MOD Single : A 568 GLN : amide:sc= -1.56 K(o=-1.6,f=-3!) USER MOD Single : A 571 THR OG1 : rot 180:sc= 0 USER MOD Single : A 572 THR OG1 : rot -160:sc= 0.281 USER MOD Single : A 575 GLN : amide:sc= -0.0724 K(o=-0.072,f=-1) USER MOD Single : A 578 HIS : no HD1:sc= -0.511 K(o=-0.51,f=-1.1) USER MOD Single : A 579 TYR OH : rot -30:sc= -4.19! USER MOD Single : A 580 SER OG : rot -78:sc= 1.21 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 X(o=0,f=-0.15) USER MOD Single : A 599 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 604 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.055) USER MOD Single : A 606 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 611 SER OG : rot 180:sc= 0 USER MOD Single : A 612 SER OG : rot 180:sc= 0 USER MOD Single : A 614 SER OG : rot 180:sc= 0 USER MOD Single : A 615 HIS : no HD1:sc= -0.531 K(o=-0.53,f=-1.3) USER MOD Single : A 619 THR OG1 : rot 180:sc= -0.0105 USER MOD Single : A 621 SER OG : rot -13:sc= 0.84 USER MOD Single : A 622 SER OG : rot -36:sc= 0.0787 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 541 7.014 12.394 20.191 1.00 0.00 N ATOM 2 CA GLY A 541 6.783 12.850 18.793 1.00 0.00 C ATOM 3 C GLY A 541 7.984 12.612 17.899 1.00 0.00 C ATOM 4 O GLY A 541 9.124 12.828 18.310 1.00 0.00 O ATOM 0 HA2 GLY A 541 5.919 12.328 18.382 1.00 0.00 H new ATOM 0 HA3 GLY A 541 6.541 13.913 18.796 1.00 0.00 H new ATOM 9 N SER A 542 7.729 12.164 16.674 1.00 0.00 N ATOM 10 CA SER A 542 8.797 11.895 15.720 1.00 0.00 C ATOM 11 C SER A 542 8.529 12.596 14.392 1.00 0.00 C ATOM 12 O SER A 542 7.377 12.823 14.021 1.00 0.00 O ATOM 13 CB SER A 542 8.943 10.389 15.495 1.00 0.00 C ATOM 14 OG SER A 542 9.275 9.724 16.702 1.00 0.00 O ATOM 0 H SER A 542 6.791 11.980 16.319 1.00 0.00 H new ATOM 0 HA SER A 542 9.727 12.284 16.135 1.00 0.00 H new ATOM 0 HB2 SER A 542 8.012 9.985 15.098 1.00 0.00 H new ATOM 0 HB3 SER A 542 9.715 10.203 14.749 1.00 0.00 H new ATOM 0 HG SER A 542 9.361 8.763 16.533 1.00 0.00 H new ATOM 20 N TYR A 543 9.598 12.934 13.678 1.00 0.00 N ATOM 21 CA TYR A 543 9.477 13.607 12.391 1.00 0.00 C ATOM 22 C TYR A 543 8.792 12.706 11.366 1.00 0.00 C ATOM 23 O TYR A 543 8.724 11.490 11.544 1.00 0.00 O ATOM 24 CB TYR A 543 10.856 14.025 11.878 1.00 0.00 C ATOM 25 CG TYR A 543 11.302 15.382 12.375 1.00 0.00 C ATOM 26 CD1 TYR A 543 11.620 16.400 11.484 1.00 0.00 C ATOM 27 CD2 TYR A 543 11.403 15.645 13.736 1.00 0.00 C ATOM 28 CE1 TYR A 543 12.027 17.641 11.935 1.00 0.00 C ATOM 29 CE2 TYR A 543 11.810 16.883 14.195 1.00 0.00 C ATOM 30 CZ TYR A 543 12.120 17.878 13.291 1.00 0.00 C ATOM 31 OH TYR A 543 12.525 19.112 13.744 1.00 0.00 O ATOM 0 H TYR A 543 10.558 12.752 13.970 1.00 0.00 H new ATOM 0 HA TYR A 543 8.864 14.497 12.532 1.00 0.00 H new ATOM 0 HB2 TYR A 543 11.589 13.278 12.181 1.00 0.00 H new ATOM 0 HB3 TYR A 543 10.842 14.033 10.788 1.00 0.00 H new ATOM 0 HD1 TYR A 543 11.548 16.218 10.422 1.00 0.00 H new ATOM 0 HD2 TYR A 543 11.159 14.869 14.446 1.00 0.00 H new ATOM 0 HE1 TYR A 543 12.271 18.422 11.230 1.00 0.00 H new ATOM 0 HE2 TYR A 543 11.885 17.071 15.256 1.00 0.00 H new ATOM 0 HH TYR A 543 12.536 19.113 14.724 1.00 0.00 H new ATOM 41 N PRO A 544 8.272 13.294 10.274 1.00 0.00 N ATOM 42 CA PRO A 544 7.590 12.539 9.218 1.00 0.00 C ATOM 43 C PRO A 544 8.430 11.375 8.703 1.00 0.00 C ATOM 44 O PRO A 544 9.658 11.401 8.780 1.00 0.00 O ATOM 45 CB PRO A 544 7.380 13.577 8.114 1.00 0.00 C ATOM 46 CG PRO A 544 7.363 14.887 8.825 1.00 0.00 C ATOM 47 CD PRO A 544 8.310 14.740 9.984 1.00 0.00 C ATOM 0 HA PRO A 544 6.665 12.086 9.575 1.00 0.00 H new ATOM 0 HB2 PRO A 544 8.181 13.537 7.376 1.00 0.00 H new ATOM 0 HB3 PRO A 544 6.446 13.404 7.580 1.00 0.00 H new ATOM 0 HG2 PRO A 544 7.678 15.694 8.164 1.00 0.00 H new ATOM 0 HG3 PRO A 544 6.358 15.131 9.170 1.00 0.00 H new ATOM 0 HD2 PRO A 544 9.316 15.072 9.726 1.00 0.00 H new ATOM 0 HD3 PRO A 544 7.990 15.331 10.842 1.00 0.00 H new ATOM 55 N THR A 545 7.759 10.354 8.181 1.00 0.00 N ATOM 56 CA THR A 545 8.443 9.178 7.654 1.00 0.00 C ATOM 57 C THR A 545 9.179 9.508 6.360 1.00 0.00 C ATOM 58 O THR A 545 9.134 10.640 5.879 1.00 0.00 O ATOM 59 CB THR A 545 7.443 8.046 7.412 1.00 0.00 C ATOM 60 OG1 THR A 545 6.313 8.520 6.701 1.00 0.00 O ATOM 61 CG2 THR A 545 6.946 7.403 8.689 1.00 0.00 C ATOM 0 H THR A 545 6.742 10.317 8.111 1.00 0.00 H new ATOM 0 HA THR A 545 9.176 8.855 8.393 1.00 0.00 H new ATOM 0 HB THR A 545 7.987 7.297 6.836 1.00 0.00 H new ATOM 0 HG1 THR A 545 6.402 8.287 5.753 1.00 0.00 H new ATOM 0 HG21 THR A 545 6.240 6.609 8.446 1.00 0.00 H new ATOM 0 HG22 THR A 545 7.790 6.984 9.237 1.00 0.00 H new ATOM 0 HG23 THR A 545 6.450 8.153 9.305 1.00 0.00 H new ATOM 69 N ASP A 546 9.856 8.509 5.800 1.00 0.00 N ATOM 70 CA ASP A 546 10.602 8.691 4.560 1.00 0.00 C ATOM 71 C ASP A 546 9.696 8.504 3.350 1.00 0.00 C ATOM 72 O ASP A 546 9.387 9.458 2.636 1.00 0.00 O ATOM 73 CB ASP A 546 11.769 7.702 4.495 1.00 0.00 C ATOM 74 CG ASP A 546 13.043 8.343 3.978 1.00 0.00 C ATOM 75 OD1 ASP A 546 13.733 9.016 4.772 1.00 0.00 O ATOM 76 OD2 ASP A 546 13.349 8.172 2.779 1.00 0.00 O ATOM 0 H ASP A 546 9.903 7.566 6.186 1.00 0.00 H new ATOM 0 HA ASP A 546 10.994 9.708 4.545 1.00 0.00 H new ATOM 0 HB2 ASP A 546 11.949 7.292 5.489 1.00 0.00 H new ATOM 0 HB3 ASP A 546 11.498 6.867 3.849 1.00 0.00 H new ATOM 81 N CYS A 547 9.277 7.267 3.126 1.00 0.00 N ATOM 82 CA CYS A 547 8.407 6.943 2.003 1.00 0.00 C ATOM 83 C CYS A 547 6.942 6.932 2.431 1.00 0.00 C ATOM 84 O CYS A 547 6.566 6.271 3.399 1.00 0.00 O ATOM 85 CB CYS A 547 8.798 5.593 1.403 1.00 0.00 C ATOM 86 SG CYS A 547 7.810 5.113 -0.032 1.00 0.00 S ATOM 0 H CYS A 547 9.526 6.468 3.709 1.00 0.00 H new ATOM 0 HA CYS A 547 8.530 7.714 1.243 1.00 0.00 H new ATOM 0 HB2 CYS A 547 9.848 5.626 1.114 1.00 0.00 H new ATOM 0 HB3 CYS A 547 8.703 4.825 2.170 1.00 0.00 H new ATOM 0 HG CYS A 547 8.345 4.072 -0.598 1.00 0.00 H new ATOM 92 N SER A 548 6.124 7.681 1.702 1.00 0.00 N ATOM 93 CA SER A 548 4.696 7.784 1.988 1.00 0.00 C ATOM 94 C SER A 548 3.877 6.988 0.982 1.00 0.00 C ATOM 95 O SER A 548 4.345 6.701 -0.117 1.00 0.00 O ATOM 96 CB SER A 548 4.257 9.249 1.939 1.00 0.00 C ATOM 97 OG SER A 548 4.198 9.714 0.599 1.00 0.00 O ATOM 0 H SER A 548 6.428 8.232 0.899 1.00 0.00 H new ATOM 0 HA SER A 548 4.524 7.376 2.984 1.00 0.00 H new ATOM 0 HB2 SER A 548 3.279 9.356 2.409 1.00 0.00 H new ATOM 0 HB3 SER A 548 4.954 9.861 2.511 1.00 0.00 H new ATOM 0 HG SER A 548 3.914 10.652 0.590 1.00 0.00 H new ATOM 103 N ILE A 549 2.641 6.664 1.352 1.00 0.00 N ATOM 104 CA ILE A 549 1.750 5.935 0.458 1.00 0.00 C ATOM 105 C ILE A 549 1.410 6.801 -0.750 1.00 0.00 C ATOM 106 O ILE A 549 1.145 6.296 -1.839 1.00 0.00 O ATOM 107 CB ILE A 549 0.436 5.536 1.163 1.00 0.00 C ATOM 108 CG1 ILE A 549 0.726 4.814 2.481 1.00 0.00 C ATOM 109 CG2 ILE A 549 -0.417 4.669 0.245 1.00 0.00 C ATOM 110 CD1 ILE A 549 1.249 3.404 2.304 1.00 0.00 C ATOM 0 H ILE A 549 2.236 6.894 2.260 1.00 0.00 H new ATOM 0 HA ILE A 549 2.269 5.028 0.147 1.00 0.00 H new ATOM 0 HB ILE A 549 -0.122 6.444 1.393 1.00 0.00 H new ATOM 0 HG12 ILE A 549 1.454 5.393 3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -0.187 4.781 3.075 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -1.340 4.396 0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -0.655 5.225 -0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 549 0.133 3.765 -0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 549 1.431 2.958 3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 549 0.513 2.808 1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 549 2.180 3.430 1.738 1.00 0.00 H new ATOM 122 N VAL A 550 1.422 8.117 -0.538 1.00 0.00 N ATOM 123 CA VAL A 550 1.119 9.073 -1.594 1.00 0.00 C ATOM 124 C VAL A 550 2.160 8.999 -2.708 1.00 0.00 C ATOM 125 O VAL A 550 1.816 8.893 -3.885 1.00 0.00 O ATOM 126 CB VAL A 550 1.063 10.510 -1.026 1.00 0.00 C ATOM 127 CG1 VAL A 550 1.122 11.549 -2.135 1.00 0.00 C ATOM 128 CG2 VAL A 550 -0.189 10.695 -0.181 1.00 0.00 C ATOM 0 H VAL A 550 1.640 8.544 0.362 1.00 0.00 H new ATOM 0 HA VAL A 550 0.144 8.817 -2.008 1.00 0.00 H new ATOM 0 HB VAL A 550 1.938 10.656 -0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 550 1.080 12.548 -1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 550 2.052 11.434 -2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 550 0.276 11.411 -2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 550 -0.215 11.711 0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 550 -1.072 10.521 -0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 550 -0.178 9.986 0.647 1.00 0.00 H new ATOM 138 N SER A 551 3.434 9.041 -2.330 1.00 0.00 N ATOM 139 CA SER A 551 4.517 8.963 -3.304 1.00 0.00 C ATOM 140 C SER A 551 4.718 7.518 -3.747 1.00 0.00 C ATOM 141 O SER A 551 5.012 7.241 -4.910 1.00 0.00 O ATOM 142 CB SER A 551 5.813 9.513 -2.705 1.00 0.00 C ATOM 143 OG SER A 551 6.354 8.617 -1.750 1.00 0.00 O ATOM 0 H SER A 551 3.741 9.128 -1.361 1.00 0.00 H new ATOM 0 HA SER A 551 4.250 9.567 -4.172 1.00 0.00 H new ATOM 0 HB2 SER A 551 6.540 9.686 -3.499 1.00 0.00 H new ATOM 0 HB3 SER A 551 5.620 10.477 -2.235 1.00 0.00 H new ATOM 0 HG SER A 551 7.182 8.991 -1.383 1.00 0.00 H new ATOM 149 N PHE A 552 4.547 6.607 -2.798 1.00 0.00 N ATOM 150 CA PHE A 552 4.695 5.180 -3.052 1.00 0.00 C ATOM 151 C PHE A 552 3.684 4.707 -4.095 1.00 0.00 C ATOM 152 O PHE A 552 4.046 4.045 -5.068 1.00 0.00 O ATOM 153 CB PHE A 552 4.519 4.416 -1.734 1.00 0.00 C ATOM 154 CG PHE A 552 4.091 2.985 -1.889 1.00 0.00 C ATOM 155 CD1 PHE A 552 2.912 2.547 -1.313 1.00 0.00 C ATOM 156 CD2 PHE A 552 4.863 2.083 -2.601 1.00 0.00 C ATOM 157 CE1 PHE A 552 2.507 1.237 -1.444 1.00 0.00 C ATOM 158 CE2 PHE A 552 4.464 0.767 -2.737 1.00 0.00 C ATOM 159 CZ PHE A 552 3.283 0.343 -2.158 1.00 0.00 C ATOM 0 H PHE A 552 4.303 6.835 -1.834 1.00 0.00 H new ATOM 0 HA PHE A 552 5.691 4.985 -3.450 1.00 0.00 H new ATOM 0 HB2 PHE A 552 5.461 4.442 -1.187 1.00 0.00 H new ATOM 0 HB3 PHE A 552 3.782 4.937 -1.124 1.00 0.00 H new ATOM 0 HD1 PHE A 552 2.302 3.241 -0.754 1.00 0.00 H new ATOM 0 HD2 PHE A 552 5.786 2.411 -3.055 1.00 0.00 H new ATOM 0 HE1 PHE A 552 1.584 0.909 -0.989 1.00 0.00 H new ATOM 0 HE2 PHE A 552 5.074 0.071 -3.295 1.00 0.00 H new ATOM 0 HZ PHE A 552 2.967 -0.684 -2.263 1.00 0.00 H new ATOM 169 N LEU A 553 2.418 5.052 -3.885 1.00 0.00 N ATOM 170 CA LEU A 553 1.357 4.664 -4.807 1.00 0.00 C ATOM 171 C LEU A 553 1.427 5.484 -6.090 1.00 0.00 C ATOM 172 O LEU A 553 1.242 4.956 -7.187 1.00 0.00 O ATOM 173 CB LEU A 553 -0.014 4.841 -4.150 1.00 0.00 C ATOM 174 CG LEU A 553 -0.393 3.763 -3.132 1.00 0.00 C ATOM 175 CD1 LEU A 553 -1.826 3.957 -2.656 1.00 0.00 C ATOM 176 CD2 LEU A 553 -0.212 2.376 -3.731 1.00 0.00 C ATOM 0 H LEU A 553 2.102 5.599 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 553 1.497 3.613 -5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 553 -0.039 5.811 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 553 -0.773 4.863 -4.932 1.00 0.00 H new ATOM 0 HG LEU A 553 0.270 3.855 -2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 553 -2.077 3.181 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 553 -1.924 4.936 -2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 553 -2.504 3.893 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 553 -0.486 1.622 -2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 553 -0.850 2.273 -4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 553 0.830 2.238 -4.021 1.00 0.00 H new ATOM 188 N ALA A 554 1.697 6.778 -5.946 1.00 0.00 N ATOM 189 CA ALA A 554 1.793 7.670 -7.096 1.00 0.00 C ATOM 190 C ALA A 554 2.818 7.157 -8.101 1.00 0.00 C ATOM 191 O ALA A 554 2.632 7.277 -9.311 1.00 0.00 O ATOM 192 CB ALA A 554 2.152 9.078 -6.644 1.00 0.00 C ATOM 0 H ALA A 554 1.853 7.231 -5.046 1.00 0.00 H new ATOM 0 HA ALA A 554 0.821 7.696 -7.588 1.00 0.00 H new ATOM 0 HB1 ALA A 554 2.220 9.733 -7.513 1.00 0.00 H new ATOM 0 HB2 ALA A 554 1.382 9.451 -5.968 1.00 0.00 H new ATOM 0 HB3 ALA A 554 3.111 9.061 -6.127 1.00 0.00 H new ATOM 198 N ARG A 555 3.898 6.580 -7.587 1.00 0.00 N ATOM 199 CA ARG A 555 4.954 6.043 -8.437 1.00 0.00 C ATOM 200 C ARG A 555 4.477 4.794 -9.175 1.00 0.00 C ATOM 201 O ARG A 555 4.951 4.490 -10.270 1.00 0.00 O ATOM 202 CB ARG A 555 6.193 5.717 -7.599 1.00 0.00 C ATOM 203 CG ARG A 555 7.334 6.702 -7.794 1.00 0.00 C ATOM 204 CD ARG A 555 8.517 6.374 -6.898 1.00 0.00 C ATOM 205 NE ARG A 555 9.763 6.269 -7.653 1.00 0.00 N ATOM 206 CZ ARG A 555 10.116 5.193 -8.355 1.00 0.00 C ATOM 207 NH1 ARG A 555 9.323 4.131 -8.399 1.00 0.00 N ATOM 208 NH2 ARG A 555 11.267 5.182 -9.014 1.00 0.00 N ATOM 0 H ARG A 555 4.065 6.472 -6.587 1.00 0.00 H new ATOM 0 HA ARG A 555 5.214 6.800 -9.177 1.00 0.00 H new ATOM 0 HB2 ARG A 555 5.915 5.700 -6.545 1.00 0.00 H new ATOM 0 HB3 ARG A 555 6.541 4.716 -7.853 1.00 0.00 H new ATOM 0 HG2 ARG A 555 7.652 6.689 -8.836 1.00 0.00 H new ATOM 0 HG3 ARG A 555 6.984 7.712 -7.580 1.00 0.00 H new ATOM 0 HD2 ARG A 555 8.619 7.146 -6.135 1.00 0.00 H new ATOM 0 HD3 ARG A 555 8.328 5.435 -6.378 1.00 0.00 H new ATOM 0 HE ARG A 555 10.400 7.066 -7.642 1.00 0.00 H new ATOM 0 HH11 ARG A 555 8.437 4.135 -7.894 1.00 0.00 H new ATOM 0 HH12 ARG A 555 9.599 3.310 -8.938 1.00 0.00 H new ATOM 0 HH21 ARG A 555 11.880 5.996 -8.983 1.00 0.00 H new ATOM 0 HH22 ARG A 555 11.539 4.359 -9.552 1.00 0.00 H new ATOM 222 N LEU A 556 3.537 4.074 -8.569 1.00 0.00 N ATOM 223 CA LEU A 556 2.998 2.860 -9.173 1.00 0.00 C ATOM 224 C LEU A 556 1.726 3.154 -9.966 1.00 0.00 C ATOM 225 O LEU A 556 1.311 2.354 -10.805 1.00 0.00 O ATOM 226 CB LEU A 556 2.706 1.813 -8.094 1.00 0.00 C ATOM 227 CG LEU A 556 3.821 1.616 -7.066 1.00 0.00 C ATOM 228 CD1 LEU A 556 3.275 0.959 -5.808 1.00 0.00 C ATOM 229 CD2 LEU A 556 4.950 0.785 -7.657 1.00 0.00 C ATOM 0 H LEU A 556 3.134 4.310 -7.662 1.00 0.00 H new ATOM 0 HA LEU A 556 3.748 2.469 -9.860 1.00 0.00 H new ATOM 0 HB2 LEU A 556 1.795 2.099 -7.569 1.00 0.00 H new ATOM 0 HB3 LEU A 556 2.508 0.858 -8.580 1.00 0.00 H new ATOM 0 HG LEU A 556 4.220 2.594 -6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 556 4.082 0.826 -5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 556 2.501 1.592 -5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 556 2.850 -0.013 -6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 556 5.735 0.655 -6.912 1.00 0.00 H new ATOM 0 HD22 LEU A 556 4.566 -0.191 -7.954 1.00 0.00 H new ATOM 0 HD23 LEU A 556 5.359 1.295 -8.529 1.00 0.00 H new ATOM 241 N GLY A 557 1.111 4.302 -9.698 1.00 0.00 N ATOM 242 CA GLY A 557 -0.105 4.672 -10.398 1.00 0.00 C ATOM 243 C GLY A 557 -1.349 4.113 -9.736 1.00 0.00 C ATOM 244 O GLY A 557 -2.218 3.555 -10.405 1.00 0.00 O ATOM 0 H GLY A 557 1.433 4.982 -9.009 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -0.178 5.759 -10.443 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -0.052 4.313 -11.426 1.00 0.00 H new ATOM 248 N CYS A 558 -1.434 4.264 -8.418 1.00 0.00 N ATOM 249 CA CYS A 558 -2.582 3.770 -7.666 1.00 0.00 C ATOM 250 C CYS A 558 -2.934 4.717 -6.522 1.00 0.00 C ATOM 251 O CYS A 558 -3.271 4.280 -5.422 1.00 0.00 O ATOM 252 CB CYS A 558 -2.296 2.371 -7.117 1.00 0.00 C ATOM 253 SG CYS A 558 -2.143 1.096 -8.389 1.00 0.00 S ATOM 0 H CYS A 558 -0.723 4.724 -7.849 1.00 0.00 H new ATOM 0 HA CYS A 558 -3.433 3.719 -8.345 1.00 0.00 H new ATOM 0 HB2 CYS A 558 -1.374 2.402 -6.536 1.00 0.00 H new ATOM 0 HB3 CYS A 558 -3.096 2.091 -6.431 1.00 0.00 H new ATOM 0 HG CYS A 558 -2.233 1.643 -9.565 1.00 0.00 H new ATOM 259 N SER A 559 -2.851 6.017 -6.790 1.00 0.00 N ATOM 260 CA SER A 559 -3.160 7.026 -5.783 1.00 0.00 C ATOM 261 C SER A 559 -4.604 6.898 -5.307 1.00 0.00 C ATOM 262 O SER A 559 -4.920 7.213 -4.160 1.00 0.00 O ATOM 263 CB SER A 559 -2.920 8.428 -6.346 1.00 0.00 C ATOM 264 OG SER A 559 -3.957 8.806 -7.234 1.00 0.00 O ATOM 0 H SER A 559 -2.573 6.396 -7.695 1.00 0.00 H new ATOM 0 HA SER A 559 -2.500 6.865 -4.930 1.00 0.00 H new ATOM 0 HB2 SER A 559 -2.858 9.146 -5.528 1.00 0.00 H new ATOM 0 HB3 SER A 559 -1.963 8.455 -6.867 1.00 0.00 H new ATOM 0 HG SER A 559 -3.781 9.706 -7.578 1.00 0.00 H new ATOM 270 N SER A 560 -5.477 6.432 -6.195 1.00 0.00 N ATOM 271 CA SER A 560 -6.888 6.263 -5.864 1.00 0.00 C ATOM 272 C SER A 560 -7.068 5.236 -4.749 1.00 0.00 C ATOM 273 O SER A 560 -8.046 5.281 -4.004 1.00 0.00 O ATOM 274 CB SER A 560 -7.676 5.833 -7.102 1.00 0.00 C ATOM 275 OG SER A 560 -8.983 6.380 -7.090 1.00 0.00 O ATOM 0 H SER A 560 -5.232 6.165 -7.149 1.00 0.00 H new ATOM 0 HA SER A 560 -7.270 7.222 -5.514 1.00 0.00 H new ATOM 0 HB2 SER A 560 -7.151 6.156 -8.001 1.00 0.00 H new ATOM 0 HB3 SER A 560 -7.734 4.745 -7.140 1.00 0.00 H new ATOM 0 HG SER A 560 -9.466 6.092 -7.893 1.00 0.00 H new ATOM 281 N CYS A 561 -6.120 4.309 -4.644 1.00 0.00 N ATOM 282 CA CYS A 561 -6.177 3.271 -3.622 1.00 0.00 C ATOM 283 C CYS A 561 -5.861 3.836 -2.239 1.00 0.00 C ATOM 284 O CYS A 561 -6.196 3.228 -1.223 1.00 0.00 O ATOM 285 CB CYS A 561 -5.198 2.143 -3.957 1.00 0.00 C ATOM 286 SG CYS A 561 -5.948 0.752 -4.836 1.00 0.00 S ATOM 0 H CYS A 561 -5.304 4.256 -5.254 1.00 0.00 H new ATOM 0 HA CYS A 561 -7.192 2.875 -3.606 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -4.388 2.548 -4.563 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -4.752 1.777 -3.032 1.00 0.00 H new ATOM 0 HG CYS A 561 -7.147 0.545 -4.378 1.00 0.00 H new ATOM 292 N LEU A 562 -5.208 4.995 -2.204 1.00 0.00 N ATOM 293 CA LEU A 562 -4.845 5.625 -0.939 1.00 0.00 C ATOM 294 C LEU A 562 -6.045 5.739 -0.006 1.00 0.00 C ATOM 295 O LEU A 562 -5.915 5.573 1.206 1.00 0.00 O ATOM 296 CB LEU A 562 -4.240 7.009 -1.176 1.00 0.00 C ATOM 297 CG LEU A 562 -3.086 7.369 -0.238 1.00 0.00 C ATOM 298 CD1 LEU A 562 -1.754 7.241 -0.954 1.00 0.00 C ATOM 299 CD2 LEU A 562 -3.261 8.774 0.320 1.00 0.00 C ATOM 0 H LEU A 562 -4.921 5.514 -3.034 1.00 0.00 H new ATOM 0 HA LEU A 562 -4.100 4.988 -0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -3.885 7.065 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -5.025 7.757 -1.069 1.00 0.00 H new ATOM 0 HG LEU A 562 -3.096 6.668 0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -0.947 7.501 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -1.622 6.215 -1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -1.735 7.915 -1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -2.429 9.008 0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -3.283 9.491 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -4.196 8.831 0.877 1.00 0.00 H new ATOM 311 N ASP A 563 -7.215 6.018 -0.574 1.00 0.00 N ATOM 312 CA ASP A 563 -8.433 6.152 0.218 1.00 0.00 C ATOM 313 C ASP A 563 -8.635 4.931 1.110 1.00 0.00 C ATOM 314 O ASP A 563 -9.066 5.051 2.258 1.00 0.00 O ATOM 315 CB ASP A 563 -9.644 6.336 -0.698 1.00 0.00 C ATOM 316 CG ASP A 563 -9.784 7.762 -1.191 1.00 0.00 C ATOM 317 OD1 ASP A 563 -10.200 8.628 -0.393 1.00 0.00 O ATOM 318 OD2 ASP A 563 -9.476 8.013 -2.375 1.00 0.00 O ATOM 0 H ASP A 563 -7.345 6.155 -1.576 1.00 0.00 H new ATOM 0 HA ASP A 563 -8.331 7.032 0.853 1.00 0.00 H new ATOM 0 HB2 ASP A 563 -9.554 5.666 -1.553 1.00 0.00 H new ATOM 0 HB3 ASP A 563 -10.549 6.049 -0.162 1.00 0.00 H new ATOM 323 N TYR A 564 -8.315 3.758 0.577 1.00 0.00 N ATOM 324 CA TYR A 564 -8.451 2.518 1.318 1.00 0.00 C ATOM 325 C TYR A 564 -7.456 2.462 2.473 1.00 0.00 C ATOM 326 O TYR A 564 -7.751 1.911 3.533 1.00 0.00 O ATOM 327 CB TYR A 564 -8.233 1.331 0.382 1.00 0.00 C ATOM 328 CG TYR A 564 -9.105 1.363 -0.853 1.00 0.00 C ATOM 329 CD1 TYR A 564 -10.490 1.355 -0.748 1.00 0.00 C ATOM 330 CD2 TYR A 564 -8.543 1.403 -2.123 1.00 0.00 C ATOM 331 CE1 TYR A 564 -11.291 1.384 -1.874 1.00 0.00 C ATOM 332 CE2 TYR A 564 -9.337 1.433 -3.253 1.00 0.00 C ATOM 333 CZ TYR A 564 -10.709 1.424 -3.124 1.00 0.00 C ATOM 334 OH TYR A 564 -11.502 1.454 -4.248 1.00 0.00 O ATOM 0 H TYR A 564 -7.958 3.643 -0.372 1.00 0.00 H new ATOM 0 HA TYR A 564 -9.458 2.472 1.733 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -7.187 1.308 0.077 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -8.426 0.408 0.929 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -10.948 1.326 0.229 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -7.468 1.411 -2.228 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -12.366 1.375 -1.776 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -8.885 1.463 -4.233 1.00 0.00 H new ATOM 0 HH TYR A 564 -10.936 1.482 -5.047 1.00 0.00 H new ATOM 344 N PHE A 565 -6.274 3.035 2.260 1.00 0.00 N ATOM 345 CA PHE A 565 -5.237 3.050 3.286 1.00 0.00 C ATOM 346 C PHE A 565 -5.560 4.074 4.370 1.00 0.00 C ATOM 347 O PHE A 565 -5.498 3.776 5.562 1.00 0.00 O ATOM 348 CB PHE A 565 -3.877 3.359 2.656 1.00 0.00 C ATOM 349 CG PHE A 565 -3.352 2.246 1.794 1.00 0.00 C ATOM 350 CD1 PHE A 565 -3.114 0.992 2.331 1.00 0.00 C ATOM 351 CD2 PHE A 565 -3.100 2.452 0.448 1.00 0.00 C ATOM 352 CE1 PHE A 565 -2.635 -0.036 1.541 1.00 0.00 C ATOM 353 CE2 PHE A 565 -2.621 1.428 -0.348 1.00 0.00 C ATOM 354 CZ PHE A 565 -2.389 0.182 0.200 1.00 0.00 C ATOM 0 H PHE A 565 -6.012 3.494 1.388 1.00 0.00 H new ATOM 0 HA PHE A 565 -5.198 2.064 3.748 1.00 0.00 H new ATOM 0 HB2 PHE A 565 -3.960 4.265 2.056 1.00 0.00 H new ATOM 0 HB3 PHE A 565 -3.157 3.566 3.448 1.00 0.00 H new ATOM 0 HD1 PHE A 565 -3.305 0.815 3.379 1.00 0.00 H new ATOM 0 HD2 PHE A 565 -3.280 3.425 0.015 1.00 0.00 H new ATOM 0 HE1 PHE A 565 -2.453 -1.009 1.972 1.00 0.00 H new ATOM 0 HE2 PHE A 565 -2.429 1.602 -1.396 1.00 0.00 H new ATOM 0 HZ PHE A 565 -2.016 -0.620 -0.419 1.00 0.00 H new ATOM 364 N THR A 566 -5.904 5.282 3.943 1.00 0.00 N ATOM 365 CA THR A 566 -6.237 6.356 4.871 1.00 0.00 C ATOM 366 C THR A 566 -7.438 5.984 5.735 1.00 0.00 C ATOM 367 O THR A 566 -7.511 6.360 6.905 1.00 0.00 O ATOM 368 CB THR A 566 -6.530 7.649 4.107 1.00 0.00 C ATOM 369 OG1 THR A 566 -7.210 7.374 2.892 1.00 0.00 O ATOM 370 CG2 THR A 566 -5.284 8.443 3.773 1.00 0.00 C ATOM 0 H THR A 566 -5.960 5.543 2.959 1.00 0.00 H new ATOM 0 HA THR A 566 -5.378 6.511 5.523 1.00 0.00 H new ATOM 0 HB THR A 566 -7.150 8.246 4.776 1.00 0.00 H new ATOM 0 HG1 THR A 566 -7.820 6.618 3.022 1.00 0.00 H new ATOM 0 HG21 THR A 566 -5.563 9.347 3.232 1.00 0.00 H new ATOM 0 HG22 THR A 566 -4.769 8.716 4.694 1.00 0.00 H new ATOM 0 HG23 THR A 566 -4.623 7.838 3.153 1.00 0.00 H new ATOM 378 N THR A 567 -8.377 5.247 5.151 1.00 0.00 N ATOM 379 CA THR A 567 -9.578 4.831 5.870 1.00 0.00 C ATOM 380 C THR A 567 -9.228 4.073 7.150 1.00 0.00 C ATOM 381 O THR A 567 -10.035 4.005 8.078 1.00 0.00 O ATOM 382 CB THR A 567 -10.460 3.961 4.972 1.00 0.00 C ATOM 383 OG1 THR A 567 -9.692 3.355 3.949 1.00 0.00 O ATOM 384 CG2 THR A 567 -11.581 4.731 4.310 1.00 0.00 C ATOM 0 H THR A 567 -8.331 4.926 4.184 1.00 0.00 H new ATOM 0 HA THR A 567 -10.126 5.731 6.149 1.00 0.00 H new ATOM 0 HB THR A 567 -10.896 3.212 5.633 1.00 0.00 H new ATOM 0 HG1 THR A 567 -9.024 2.761 4.350 1.00 0.00 H new ATOM 0 HG21 THR A 567 -12.168 4.056 3.688 1.00 0.00 H new ATOM 0 HG22 THR A 567 -12.222 5.170 5.075 1.00 0.00 H new ATOM 0 HG23 THR A 567 -11.162 5.523 3.690 1.00 0.00 H new ATOM 392 N GLN A 568 -8.025 3.506 7.200 1.00 0.00 N ATOM 393 CA GLN A 568 -7.587 2.759 8.377 1.00 0.00 C ATOM 394 C GLN A 568 -6.552 3.545 9.176 1.00 0.00 C ATOM 395 O GLN A 568 -6.247 3.204 10.319 1.00 0.00 O ATOM 396 CB GLN A 568 -6.982 1.418 7.963 1.00 0.00 C ATOM 397 CG GLN A 568 -7.692 0.745 6.801 1.00 0.00 C ATOM 398 CD GLN A 568 -8.873 -0.096 7.245 1.00 0.00 C ATOM 399 OE1 GLN A 568 -8.897 -1.310 7.043 1.00 0.00 O ATOM 400 NE2 GLN A 568 -9.860 0.548 7.856 1.00 0.00 N ATOM 0 H GLN A 568 -7.340 3.549 6.445 1.00 0.00 H new ATOM 0 HA GLN A 568 -8.464 2.590 9.002 1.00 0.00 H new ATOM 0 HB2 GLN A 568 -5.937 1.571 7.695 1.00 0.00 H new ATOM 0 HB3 GLN A 568 -6.996 0.746 8.821 1.00 0.00 H new ATOM 0 HG2 GLN A 568 -8.036 1.506 6.101 1.00 0.00 H new ATOM 0 HG3 GLN A 568 -6.984 0.114 6.264 1.00 0.00 H new ATOM 0 HE21 GLN A 568 -9.798 1.556 8.002 1.00 0.00 H new ATOM 0 HE22 GLN A 568 -10.680 0.035 8.179 1.00 0.00 H new ATOM 409 N GLY A 569 -6.012 4.595 8.568 1.00 0.00 N ATOM 410 CA GLY A 569 -5.015 5.408 9.238 1.00 0.00 C ATOM 411 C GLY A 569 -3.626 5.230 8.650 1.00 0.00 C ATOM 412 O GLY A 569 -2.658 5.803 9.152 1.00 0.00 O ATOM 0 H GLY A 569 -6.247 4.898 7.623 1.00 0.00 H new ATOM 0 HA2 GLY A 569 -5.302 6.457 9.171 1.00 0.00 H new ATOM 0 HA3 GLY A 569 -4.993 5.150 10.297 1.00 0.00 H new ATOM 416 N LEU A 570 -3.522 4.441 7.582 1.00 0.00 N ATOM 417 CA LEU A 570 -2.239 4.205 6.933 1.00 0.00 C ATOM 418 C LEU A 570 -1.940 5.309 5.923 1.00 0.00 C ATOM 419 O LEU A 570 -2.609 5.421 4.896 1.00 0.00 O ATOM 420 CB LEU A 570 -2.234 2.843 6.230 1.00 0.00 C ATOM 421 CG LEU A 570 -2.861 1.691 7.024 1.00 0.00 C ATOM 422 CD1 LEU A 570 -4.004 1.064 6.243 1.00 0.00 C ATOM 423 CD2 LEU A 570 -1.814 0.639 7.361 1.00 0.00 C ATOM 0 H LEU A 570 -4.309 3.957 7.151 1.00 0.00 H new ATOM 0 HA LEU A 570 -1.465 4.209 7.700 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -2.765 2.940 5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -1.203 2.579 5.992 1.00 0.00 H new ATOM 0 HG LEU A 570 -3.257 2.096 7.955 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -4.436 0.248 6.823 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -4.768 1.817 6.049 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -3.628 0.677 5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -2.279 -0.170 7.924 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -1.388 0.241 6.440 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -1.024 1.091 7.960 1.00 0.00 H new ATOM 435 N THR A 571 -0.934 6.123 6.223 1.00 0.00 N ATOM 436 CA THR A 571 -0.551 7.220 5.340 1.00 0.00 C ATOM 437 C THR A 571 0.865 7.028 4.802 1.00 0.00 C ATOM 438 O THR A 571 1.191 7.493 3.710 1.00 0.00 O ATOM 439 CB THR A 571 -0.649 8.555 6.080 1.00 0.00 C ATOM 440 OG1 THR A 571 -0.457 8.373 7.472 1.00 0.00 O ATOM 441 CG2 THR A 571 -1.980 9.249 5.889 1.00 0.00 C ATOM 0 H THR A 571 -0.370 6.045 7.069 1.00 0.00 H new ATOM 0 HA THR A 571 -1.240 7.225 4.495 1.00 0.00 H new ATOM 0 HB THR A 571 0.134 9.180 5.651 1.00 0.00 H new ATOM 0 HG1 THR A 571 -0.522 9.239 7.927 1.00 0.00 H new ATOM 0 HG21 THR A 571 -1.982 10.189 6.440 1.00 0.00 H new ATOM 0 HG22 THR A 571 -2.137 9.449 4.829 1.00 0.00 H new ATOM 0 HG23 THR A 571 -2.781 8.609 6.260 1.00 0.00 H new ATOM 449 N THR A 572 1.704 6.343 5.574 1.00 0.00 N ATOM 450 CA THR A 572 3.084 6.098 5.169 1.00 0.00 C ATOM 451 C THR A 572 3.262 4.671 4.665 1.00 0.00 C ATOM 452 O THR A 572 2.576 3.753 5.116 1.00 0.00 O ATOM 453 CB THR A 572 4.040 6.342 6.340 1.00 0.00 C ATOM 454 OG1 THR A 572 4.126 5.191 7.165 1.00 0.00 O ATOM 455 CG2 THR A 572 3.637 7.509 7.217 1.00 0.00 C ATOM 0 H THR A 572 1.453 5.949 6.481 1.00 0.00 H new ATOM 0 HA THR A 572 3.317 6.791 4.360 1.00 0.00 H new ATOM 0 HB THR A 572 5.001 6.574 5.881 1.00 0.00 H new ATOM 0 HG1 THR A 572 4.466 5.446 8.048 1.00 0.00 H new ATOM 0 HG21 THR A 572 4.359 7.623 8.026 1.00 0.00 H new ATOM 0 HG22 THR A 572 3.613 8.421 6.621 1.00 0.00 H new ATOM 0 HG23 THR A 572 2.648 7.324 7.637 1.00 0.00 H new ATOM 463 N ILE A 573 4.200 4.486 3.744 1.00 0.00 N ATOM 464 CA ILE A 573 4.478 3.164 3.204 1.00 0.00 C ATOM 465 C ILE A 573 4.976 2.249 4.313 1.00 0.00 C ATOM 466 O ILE A 573 4.628 1.070 4.373 1.00 0.00 O ATOM 467 CB ILE A 573 5.527 3.222 2.068 1.00 0.00 C ATOM 468 CG1 ILE A 573 5.356 2.031 1.123 1.00 0.00 C ATOM 469 CG2 ILE A 573 6.946 3.255 2.627 1.00 0.00 C ATOM 470 CD1 ILE A 573 6.422 1.958 0.051 1.00 0.00 C ATOM 0 H ILE A 573 4.778 5.232 3.358 1.00 0.00 H new ATOM 0 HA ILE A 573 3.551 2.771 2.787 1.00 0.00 H new ATOM 0 HB ILE A 573 5.364 4.143 1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 573 5.372 1.109 1.705 1.00 0.00 H new ATOM 0 HG13 ILE A 573 4.377 2.091 0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 573 7.660 3.296 1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 573 7.068 4.136 3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 573 7.125 2.357 3.219 1.00 0.00 H new ATOM 0 HD11 ILE A 573 6.241 1.091 -0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 573 6.392 2.864 -0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 573 7.402 1.867 0.518 1.00 0.00 H new ATOM 482 N TYR A 574 5.797 2.816 5.190 1.00 0.00 N ATOM 483 CA TYR A 574 6.361 2.071 6.309 1.00 0.00 C ATOM 484 C TYR A 574 5.262 1.469 7.177 1.00 0.00 C ATOM 485 O TYR A 574 5.410 0.366 7.703 1.00 0.00 O ATOM 486 CB TYR A 574 7.256 2.978 7.154 1.00 0.00 C ATOM 487 CG TYR A 574 8.609 3.240 6.533 1.00 0.00 C ATOM 488 CD1 TYR A 574 9.061 4.539 6.330 1.00 0.00 C ATOM 489 CD2 TYR A 574 9.434 2.191 6.149 1.00 0.00 C ATOM 490 CE1 TYR A 574 10.297 4.782 5.762 1.00 0.00 C ATOM 491 CE2 TYR A 574 10.671 2.426 5.581 1.00 0.00 C ATOM 492 CZ TYR A 574 11.098 3.722 5.389 1.00 0.00 C ATOM 493 OH TYR A 574 12.329 3.961 4.823 1.00 0.00 O ATOM 0 H TYR A 574 6.087 3.793 5.147 1.00 0.00 H new ATOM 0 HA TYR A 574 6.961 1.257 5.902 1.00 0.00 H new ATOM 0 HB2 TYR A 574 6.748 3.929 7.313 1.00 0.00 H new ATOM 0 HB3 TYR A 574 7.397 2.524 8.135 1.00 0.00 H new ATOM 0 HD1 TYR A 574 8.437 5.371 6.621 1.00 0.00 H new ATOM 0 HD2 TYR A 574 9.103 1.174 6.297 1.00 0.00 H new ATOM 0 HE1 TYR A 574 10.635 5.797 5.611 1.00 0.00 H new ATOM 0 HE2 TYR A 574 11.300 1.598 5.289 1.00 0.00 H new ATOM 0 HH TYR A 574 12.689 4.805 5.168 1.00 0.00 H new ATOM 503 N GLN A 575 4.158 2.196 7.323 1.00 0.00 N ATOM 504 CA GLN A 575 3.038 1.723 8.130 1.00 0.00 C ATOM 505 C GLN A 575 2.522 0.381 7.616 1.00 0.00 C ATOM 506 O GLN A 575 1.884 -0.372 8.353 1.00 0.00 O ATOM 507 CB GLN A 575 1.908 2.755 8.125 1.00 0.00 C ATOM 508 CG GLN A 575 1.932 3.686 9.326 1.00 0.00 C ATOM 509 CD GLN A 575 0.999 3.234 10.432 1.00 0.00 C ATOM 510 OE1 GLN A 575 0.592 2.074 10.481 1.00 0.00 O ATOM 511 NE2 GLN A 575 0.654 4.152 11.328 1.00 0.00 N ATOM 0 H GLN A 575 4.015 3.111 6.895 1.00 0.00 H new ATOM 0 HA GLN A 575 3.391 1.586 9.152 1.00 0.00 H new ATOM 0 HB2 GLN A 575 1.973 3.349 7.213 1.00 0.00 H new ATOM 0 HB3 GLN A 575 0.951 2.234 8.098 1.00 0.00 H new ATOM 0 HG2 GLN A 575 2.949 3.745 9.715 1.00 0.00 H new ATOM 0 HG3 GLN A 575 1.653 4.691 9.008 1.00 0.00 H new ATOM 0 HE21 GLN A 575 1.015 5.103 11.249 1.00 0.00 H new ATOM 0 HE22 GLN A 575 0.028 3.906 12.095 1.00 0.00 H new ATOM 520 N ILE A 576 2.805 0.082 6.351 1.00 0.00 N ATOM 521 CA ILE A 576 2.372 -1.171 5.745 1.00 0.00 C ATOM 522 C ILE A 576 3.557 -1.969 5.203 1.00 0.00 C ATOM 523 O ILE A 576 3.382 -2.900 4.419 1.00 0.00 O ATOM 524 CB ILE A 576 1.359 -0.924 4.606 1.00 0.00 C ATOM 525 CG1 ILE A 576 2.027 -0.204 3.432 1.00 0.00 C ATOM 526 CG2 ILE A 576 0.173 -0.121 5.118 1.00 0.00 C ATOM 527 CD1 ILE A 576 1.105 -0.002 2.250 1.00 0.00 C ATOM 0 H ILE A 576 3.333 0.692 5.726 1.00 0.00 H new ATOM 0 HA ILE A 576 1.888 -1.749 6.532 1.00 0.00 H new ATOM 0 HB ILE A 576 0.999 -1.890 4.252 1.00 0.00 H new ATOM 0 HG12 ILE A 576 2.391 0.766 3.770 1.00 0.00 H new ATOM 0 HG13 ILE A 576 2.897 -0.777 3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 576 -0.533 0.045 4.304 1.00 0.00 H new ATOM 0 HG22 ILE A 576 -0.320 -0.671 5.919 1.00 0.00 H new ATOM 0 HG23 ILE A 576 0.521 0.839 5.498 1.00 0.00 H new ATOM 0 HD11 ILE A 576 1.642 0.514 1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 576 0.761 -0.971 1.887 1.00 0.00 H new ATOM 0 HD13 ILE A 576 0.247 0.597 2.556 1.00 0.00 H new ATOM 539 N GLU A 577 4.766 -1.600 5.622 1.00 0.00 N ATOM 540 CA GLU A 577 5.975 -2.285 5.175 1.00 0.00 C ATOM 541 C GLU A 577 5.865 -3.794 5.381 1.00 0.00 C ATOM 542 O GLU A 577 6.512 -4.573 4.682 1.00 0.00 O ATOM 543 CB GLU A 577 7.197 -1.746 5.924 1.00 0.00 C ATOM 544 CG GLU A 577 8.505 -2.395 5.501 1.00 0.00 C ATOM 545 CD GLU A 577 9.631 -1.390 5.351 1.00 0.00 C ATOM 546 OE1 GLU A 577 10.423 -1.239 6.305 1.00 0.00 O ATOM 547 OE2 GLU A 577 9.721 -0.754 4.279 1.00 0.00 O ATOM 0 H GLU A 577 4.933 -0.830 6.270 1.00 0.00 H new ATOM 0 HA GLU A 577 6.092 -2.094 4.108 1.00 0.00 H new ATOM 0 HB2 GLU A 577 7.266 -0.670 5.763 1.00 0.00 H new ATOM 0 HB3 GLU A 577 7.054 -1.900 6.994 1.00 0.00 H new ATOM 0 HG2 GLU A 577 8.789 -3.146 6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 577 8.359 -2.916 4.555 1.00 0.00 H new ATOM 554 N HIS A 578 5.043 -4.200 6.345 1.00 0.00 N ATOM 555 CA HIS A 578 4.853 -5.617 6.639 1.00 0.00 C ATOM 556 C HIS A 578 3.408 -6.044 6.391 1.00 0.00 C ATOM 557 O HIS A 578 2.926 -7.005 6.990 1.00 0.00 O ATOM 558 CB HIS A 578 5.241 -5.913 8.089 1.00 0.00 C ATOM 559 CG HIS A 578 6.668 -5.593 8.404 1.00 0.00 C ATOM 560 ND1 HIS A 578 7.732 -6.255 7.827 1.00 0.00 N ATOM 561 CD2 HIS A 578 7.208 -4.676 9.242 1.00 0.00 C ATOM 562 CE1 HIS A 578 8.863 -5.759 8.297 1.00 0.00 C ATOM 563 NE2 HIS A 578 8.572 -4.800 9.156 1.00 0.00 N ATOM 0 H HIS A 578 4.499 -3.570 6.934 1.00 0.00 H new ATOM 0 HA HIS A 578 5.497 -6.187 5.970 1.00 0.00 H new ATOM 0 HB2 HIS A 578 4.594 -5.341 8.754 1.00 0.00 H new ATOM 0 HB3 HIS A 578 5.059 -6.967 8.297 1.00 0.00 H new ATOM 0 HD2 HIS A 578 6.666 -3.977 9.862 1.00 0.00 H new ATOM 0 HE1 HIS A 578 9.857 -6.083 8.025 1.00 0.00 H new ATOM 0 HE2 HIS A 578 9.251 -4.241 9.673 1.00 0.00 H new ATOM 572 N TYR A 579 2.720 -5.326 5.507 1.00 0.00 N ATOM 573 CA TYR A 579 1.332 -5.638 5.190 1.00 0.00 C ATOM 574 C TYR A 579 1.197 -6.899 4.351 1.00 0.00 C ATOM 575 O TYR A 579 1.982 -7.149 3.436 1.00 0.00 O ATOM 576 CB TYR A 579 0.658 -4.471 4.472 1.00 0.00 C ATOM 577 CG TYR A 579 -0.328 -3.727 5.339 1.00 0.00 C ATOM 578 CD1 TYR A 579 -0.065 -3.481 6.680 1.00 0.00 C ATOM 579 CD2 TYR A 579 -1.538 -3.293 4.816 1.00 0.00 C ATOM 580 CE1 TYR A 579 -0.981 -2.822 7.476 1.00 0.00 C ATOM 581 CE2 TYR A 579 -2.456 -2.630 5.602 1.00 0.00 C ATOM 582 CZ TYR A 579 -2.176 -2.398 6.932 1.00 0.00 C ATOM 583 OH TYR A 579 -3.093 -1.743 7.720 1.00 0.00 O ATOM 0 H TYR A 579 3.101 -4.527 5.000 1.00 0.00 H new ATOM 0 HA TYR A 579 0.832 -5.814 6.142 1.00 0.00 H new ATOM 0 HB2 TYR A 579 1.423 -3.776 4.125 1.00 0.00 H new ATOM 0 HB3 TYR A 579 0.143 -4.846 3.588 1.00 0.00 H new ATOM 0 HD1 TYR A 579 0.871 -3.810 7.107 1.00 0.00 H new ATOM 0 HD2 TYR A 579 -1.764 -3.478 3.776 1.00 0.00 H new ATOM 0 HE1 TYR A 579 -0.763 -2.640 8.518 1.00 0.00 H new ATOM 0 HE2 TYR A 579 -3.391 -2.294 5.178 1.00 0.00 H new ATOM 0 HH TYR A 579 -3.013 -2.057 8.645 1.00 0.00 H new ATOM 593 N SER A 580 0.171 -7.675 4.669 1.00 0.00 N ATOM 594 CA SER A 580 -0.125 -8.907 3.959 1.00 0.00 C ATOM 595 C SER A 580 -1.256 -8.676 2.969 1.00 0.00 C ATOM 596 O SER A 580 -1.900 -7.628 2.989 1.00 0.00 O ATOM 597 CB SER A 580 -0.537 -9.996 4.949 1.00 0.00 C ATOM 598 OG SER A 580 -1.868 -9.792 5.397 1.00 0.00 O ATOM 0 H SER A 580 -0.479 -7.467 5.427 1.00 0.00 H new ATOM 0 HA SER A 580 0.769 -9.225 3.423 1.00 0.00 H new ATOM 0 HB2 SER A 580 -0.454 -10.974 4.476 1.00 0.00 H new ATOM 0 HB3 SER A 580 0.143 -9.995 5.801 1.00 0.00 H new ATOM 0 HG SER A 580 -1.879 -9.089 6.080 1.00 0.00 H new ATOM 604 N MET A 581 -1.521 -9.665 2.126 1.00 0.00 N ATOM 605 CA MET A 581 -2.608 -9.554 1.167 1.00 0.00 C ATOM 606 C MET A 581 -3.931 -9.427 1.918 1.00 0.00 C ATOM 607 O MET A 581 -4.876 -8.793 1.443 1.00 0.00 O ATOM 608 CB MET A 581 -2.633 -10.773 0.241 1.00 0.00 C ATOM 609 CG MET A 581 -3.817 -10.794 -0.712 1.00 0.00 C ATOM 610 SD MET A 581 -3.412 -11.525 -2.310 1.00 0.00 S ATOM 611 CE MET A 581 -3.779 -10.161 -3.410 1.00 0.00 C ATOM 0 H MET A 581 -1.004 -10.543 2.087 1.00 0.00 H new ATOM 0 HA MET A 581 -2.456 -8.667 0.552 1.00 0.00 H new ATOM 0 HB2 MET A 581 -1.711 -10.796 -0.339 1.00 0.00 H new ATOM 0 HB3 MET A 581 -2.650 -11.678 0.848 1.00 0.00 H new ATOM 0 HG2 MET A 581 -4.634 -11.354 -0.257 1.00 0.00 H new ATOM 0 HG3 MET A 581 -4.174 -9.775 -0.863 1.00 0.00 H new ATOM 0 HE1 MET A 581 -3.681 -10.491 -4.444 1.00 0.00 H new ATOM 0 HE2 MET A 581 -4.798 -9.816 -3.235 1.00 0.00 H new ATOM 0 HE3 MET A 581 -3.082 -9.344 -3.222 1.00 0.00 H new ATOM 621 N ASP A 582 -3.976 -10.023 3.109 1.00 0.00 N ATOM 622 CA ASP A 582 -5.163 -9.974 3.950 1.00 0.00 C ATOM 623 C ASP A 582 -5.397 -8.556 4.461 1.00 0.00 C ATOM 624 O ASP A 582 -6.489 -8.008 4.309 1.00 0.00 O ATOM 625 CB ASP A 582 -5.020 -10.938 5.130 1.00 0.00 C ATOM 626 CG ASP A 582 -6.303 -11.694 5.416 1.00 0.00 C ATOM 627 OD1 ASP A 582 -6.852 -12.309 4.478 1.00 0.00 O ATOM 628 OD2 ASP A 582 -6.758 -11.673 6.580 1.00 0.00 O ATOM 0 H ASP A 582 -3.199 -10.547 3.511 1.00 0.00 H new ATOM 0 HA ASP A 582 -6.021 -10.276 3.350 1.00 0.00 H new ATOM 0 HB2 ASP A 582 -4.221 -11.649 4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 582 -4.724 -10.380 6.018 1.00 0.00 H new ATOM 633 N ASP A 583 -4.366 -7.960 5.057 1.00 0.00 N ATOM 634 CA ASP A 583 -4.476 -6.596 5.574 1.00 0.00 C ATOM 635 C ASP A 583 -4.864 -5.638 4.455 1.00 0.00 C ATOM 636 O ASP A 583 -5.779 -4.828 4.600 1.00 0.00 O ATOM 637 CB ASP A 583 -3.154 -6.143 6.203 1.00 0.00 C ATOM 638 CG ASP A 583 -2.677 -7.083 7.292 1.00 0.00 C ATOM 639 OD1 ASP A 583 -3.404 -7.250 8.293 1.00 0.00 O ATOM 640 OD2 ASP A 583 -1.575 -7.653 7.143 1.00 0.00 O ATOM 0 H ASP A 583 -3.453 -8.394 5.193 1.00 0.00 H new ATOM 0 HA ASP A 583 -5.250 -6.587 6.342 1.00 0.00 H new ATOM 0 HB2 ASP A 583 -2.391 -6.074 5.427 1.00 0.00 H new ATOM 0 HB3 ASP A 583 -3.277 -5.143 6.619 1.00 0.00 H new ATOM 645 N LEU A 584 -4.153 -5.742 3.338 1.00 0.00 N ATOM 646 CA LEU A 584 -4.402 -4.892 2.182 1.00 0.00 C ATOM 647 C LEU A 584 -5.841 -5.075 1.688 1.00 0.00 C ATOM 648 O LEU A 584 -6.497 -4.124 1.235 1.00 0.00 O ATOM 649 CB LEU A 584 -3.395 -5.234 1.080 1.00 0.00 C ATOM 650 CG LEU A 584 -2.728 -4.028 0.426 1.00 0.00 C ATOM 651 CD1 LEU A 584 -1.720 -4.469 -0.625 1.00 0.00 C ATOM 652 CD2 LEU A 584 -3.777 -3.115 -0.178 1.00 0.00 C ATOM 0 H LEU A 584 -3.395 -6.412 3.209 1.00 0.00 H new ATOM 0 HA LEU A 584 -4.277 -3.846 2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 584 -2.621 -5.876 1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 584 -3.904 -5.812 0.309 1.00 0.00 H new ATOM 0 HG LEU A 584 -2.187 -3.473 1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 584 -1.258 -3.591 -1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 584 -0.951 -5.083 -0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 584 -2.228 -5.049 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 584 -3.289 -2.258 -0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 584 -4.345 -3.661 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 584 -4.452 -2.769 0.605 1.00 0.00 H new ATOM 664 N ALA A 585 -6.336 -6.305 1.800 1.00 0.00 N ATOM 665 CA ALA A 585 -7.698 -6.617 1.397 1.00 0.00 C ATOM 666 C ALA A 585 -8.683 -6.081 2.430 1.00 0.00 C ATOM 667 O ALA A 585 -9.789 -5.660 2.093 1.00 0.00 O ATOM 668 CB ALA A 585 -7.872 -8.117 1.218 1.00 0.00 C ATOM 0 H ALA A 585 -5.812 -7.099 2.167 1.00 0.00 H new ATOM 0 HA ALA A 585 -7.899 -6.136 0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 585 -8.897 -8.331 0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 585 -7.186 -8.474 0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 585 -7.658 -8.623 2.159 1.00 0.00 H new ATOM 674 N SER A 586 -8.260 -6.091 3.694 1.00 0.00 N ATOM 675 CA SER A 586 -9.091 -5.597 4.785 1.00 0.00 C ATOM 676 C SER A 586 -9.405 -4.123 4.577 1.00 0.00 C ATOM 677 O SER A 586 -10.541 -3.685 4.760 1.00 0.00 O ATOM 678 CB SER A 586 -8.386 -5.799 6.128 1.00 0.00 C ATOM 679 OG SER A 586 -9.310 -6.158 7.140 1.00 0.00 O ATOM 0 H SER A 586 -7.346 -6.437 3.985 1.00 0.00 H new ATOM 0 HA SER A 586 -10.024 -6.161 4.793 1.00 0.00 H new ATOM 0 HB2 SER A 586 -7.628 -6.576 6.031 1.00 0.00 H new ATOM 0 HB3 SER A 586 -7.869 -4.883 6.412 1.00 0.00 H new ATOM 0 HG SER A 586 -8.834 -6.283 7.988 1.00 0.00 H new ATOM 685 N LEU A 587 -8.391 -3.365 4.170 1.00 0.00 N ATOM 686 CA LEU A 587 -8.568 -1.938 3.910 1.00 0.00 C ATOM 687 C LEU A 587 -9.583 -1.737 2.790 1.00 0.00 C ATOM 688 O LEU A 587 -10.161 -0.660 2.653 1.00 0.00 O ATOM 689 CB LEU A 587 -7.244 -1.260 3.528 1.00 0.00 C ATOM 690 CG LEU A 587 -5.965 -2.004 3.920 1.00 0.00 C ATOM 691 CD1 LEU A 587 -4.741 -1.235 3.449 1.00 0.00 C ATOM 692 CD2 LEU A 587 -5.917 -2.224 5.425 1.00 0.00 C ATOM 0 H LEU A 587 -7.444 -3.711 4.014 1.00 0.00 H new ATOM 0 HA LEU A 587 -8.930 -1.478 4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 587 -7.235 -1.109 2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 587 -7.220 -0.272 3.988 1.00 0.00 H new ATOM 0 HG LEU A 587 -5.966 -2.979 3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -3.839 -1.776 3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 587 -4.773 -1.130 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 587 -4.733 -0.247 3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 587 -5.001 -2.754 5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 587 -5.936 -1.261 5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 587 -6.779 -2.815 5.734 1.00 0.00 H new ATOM 704 N LYS A 588 -9.792 -2.798 2.000 1.00 0.00 N ATOM 705 CA LYS A 588 -10.737 -2.793 0.887 1.00 0.00 C ATOM 706 C LYS A 588 -10.043 -2.540 -0.448 1.00 0.00 C ATOM 707 O LYS A 588 -10.684 -2.102 -1.404 1.00 0.00 O ATOM 708 CB LYS A 588 -11.842 -1.757 1.102 1.00 0.00 C ATOM 709 CG LYS A 588 -13.094 -2.022 0.282 1.00 0.00 C ATOM 710 CD LYS A 588 -13.890 -0.748 0.054 1.00 0.00 C ATOM 711 CE LYS A 588 -14.767 -0.417 1.250 1.00 0.00 C ATOM 712 NZ LYS A 588 -15.370 0.940 1.139 1.00 0.00 N ATOM 0 H LYS A 588 -9.305 -3.686 2.120 1.00 0.00 H new ATOM 0 HA LYS A 588 -11.186 -3.786 0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 588 -12.108 -1.736 2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 588 -11.456 -0.769 0.851 1.00 0.00 H new ATOM 0 HG2 LYS A 588 -12.816 -2.455 -0.679 1.00 0.00 H new ATOM 0 HG3 LYS A 588 -13.717 -2.755 0.794 1.00 0.00 H new ATOM 0 HD2 LYS A 588 -13.207 0.080 -0.138 1.00 0.00 H new ATOM 0 HD3 LYS A 588 -14.512 -0.860 -0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 588 -15.560 -1.160 1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 588 -14.174 -0.477 2.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 588 -15.961 1.127 1.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 588 -14.614 1.652 1.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 588 -15.957 0.990 0.282 1.00 0.00 H new ATOM 726 N ILE A 589 -8.741 -2.826 -0.534 1.00 0.00 N ATOM 727 CA ILE A 589 -8.030 -2.623 -1.789 1.00 0.00 C ATOM 728 C ILE A 589 -8.282 -3.800 -2.737 1.00 0.00 C ATOM 729 O ILE A 589 -8.078 -4.956 -2.368 1.00 0.00 O ATOM 730 CB ILE A 589 -6.513 -2.422 -1.569 1.00 0.00 C ATOM 731 CG1 ILE A 589 -6.259 -1.026 -0.993 1.00 0.00 C ATOM 732 CG2 ILE A 589 -5.744 -2.603 -2.874 1.00 0.00 C ATOM 733 CD1 ILE A 589 -5.856 -1.030 0.462 1.00 0.00 C ATOM 0 H ILE A 589 -8.174 -3.189 0.232 1.00 0.00 H new ATOM 0 HA ILE A 589 -8.416 -1.710 -2.241 1.00 0.00 H new ATOM 0 HB ILE A 589 -6.160 -3.174 -0.864 1.00 0.00 H new ATOM 0 HG12 ILE A 589 -5.476 -0.540 -1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 589 -7.162 -0.426 -1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 589 -4.679 -2.456 -2.692 1.00 0.00 H new ATOM 0 HG22 ILE A 589 -5.911 -3.609 -3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 589 -6.091 -1.873 -3.605 1.00 0.00 H new ATOM 0 HD11 ILE A 589 -5.694 -0.006 0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 589 -6.647 -1.486 1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 589 -4.936 -1.601 0.583 1.00 0.00 H new ATOM 745 N PRO A 590 -8.747 -3.520 -3.969 1.00 0.00 N ATOM 746 CA PRO A 590 -9.043 -4.564 -4.961 1.00 0.00 C ATOM 747 C PRO A 590 -7.845 -5.463 -5.250 1.00 0.00 C ATOM 748 O PRO A 590 -6.699 -5.012 -5.242 1.00 0.00 O ATOM 749 CB PRO A 590 -9.431 -3.770 -6.213 1.00 0.00 C ATOM 750 CG PRO A 590 -9.880 -2.446 -5.700 1.00 0.00 C ATOM 751 CD PRO A 590 -9.037 -2.171 -4.489 1.00 0.00 C ATOM 0 HA PRO A 590 -9.821 -5.242 -4.609 1.00 0.00 H new ATOM 0 HB2 PRO A 590 -8.585 -3.665 -6.893 1.00 0.00 H new ATOM 0 HB3 PRO A 590 -10.225 -4.269 -6.768 1.00 0.00 H new ATOM 0 HG2 PRO A 590 -9.748 -1.669 -6.453 1.00 0.00 H new ATOM 0 HG3 PRO A 590 -10.939 -2.464 -5.443 1.00 0.00 H new ATOM 0 HD2 PRO A 590 -8.124 -1.634 -4.747 1.00 0.00 H new ATOM 0 HD3 PRO A 590 -9.569 -1.563 -3.757 1.00 0.00 H new ATOM 759 N GLU A 591 -8.124 -6.739 -5.507 1.00 0.00 N ATOM 760 CA GLU A 591 -7.081 -7.717 -5.802 1.00 0.00 C ATOM 761 C GLU A 591 -6.208 -7.264 -6.971 1.00 0.00 C ATOM 762 O GLU A 591 -5.065 -7.702 -7.107 1.00 0.00 O ATOM 763 CB GLU A 591 -7.710 -9.076 -6.120 1.00 0.00 C ATOM 764 CG GLU A 591 -7.615 -10.073 -4.976 1.00 0.00 C ATOM 765 CD GLU A 591 -8.304 -11.387 -5.288 1.00 0.00 C ATOM 766 OE1 GLU A 591 -9.546 -11.390 -5.414 1.00 0.00 O ATOM 767 OE2 GLU A 591 -7.600 -12.412 -5.407 1.00 0.00 O ATOM 0 H GLU A 591 -9.070 -7.121 -5.517 1.00 0.00 H new ATOM 0 HA GLU A 591 -6.447 -7.807 -4.920 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -8.759 -8.930 -6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -7.221 -9.496 -6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -6.566 -10.262 -4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -8.060 -9.637 -4.081 1.00 0.00 H new ATOM 774 N GLN A 592 -6.754 -6.396 -7.814 1.00 0.00 N ATOM 775 CA GLN A 592 -6.026 -5.895 -8.975 1.00 0.00 C ATOM 776 C GLN A 592 -5.021 -4.812 -8.586 1.00 0.00 C ATOM 777 O GLN A 592 -4.132 -4.474 -9.366 1.00 0.00 O ATOM 778 CB GLN A 592 -7.005 -5.343 -10.012 1.00 0.00 C ATOM 779 CG GLN A 592 -8.167 -6.275 -10.311 1.00 0.00 C ATOM 780 CD GLN A 592 -7.964 -7.068 -11.588 1.00 0.00 C ATOM 781 OE1 GLN A 592 -6.880 -7.593 -11.841 1.00 0.00 O ATOM 782 NE2 GLN A 592 -9.010 -7.159 -12.402 1.00 0.00 N ATOM 0 H GLN A 592 -7.699 -6.024 -7.716 1.00 0.00 H new ATOM 0 HA GLN A 592 -5.472 -6.731 -9.403 1.00 0.00 H new ATOM 0 HB2 GLN A 592 -7.397 -4.390 -9.657 1.00 0.00 H new ATOM 0 HB3 GLN A 592 -6.465 -5.141 -10.937 1.00 0.00 H new ATOM 0 HG2 GLN A 592 -8.299 -6.964 -9.477 1.00 0.00 H new ATOM 0 HG3 GLN A 592 -9.084 -5.692 -10.392 1.00 0.00 H new ATOM 0 HE21 GLN A 592 -9.891 -6.708 -12.153 1.00 0.00 H new ATOM 0 HE22 GLN A 592 -8.933 -7.680 -13.276 1.00 0.00 H new ATOM 791 N PHE A 593 -5.169 -4.260 -7.383 1.00 0.00 N ATOM 792 CA PHE A 593 -4.272 -3.207 -6.917 1.00 0.00 C ATOM 793 C PHE A 593 -3.409 -3.677 -5.748 1.00 0.00 C ATOM 794 O PHE A 593 -2.199 -3.446 -5.732 1.00 0.00 O ATOM 795 CB PHE A 593 -5.073 -1.971 -6.509 1.00 0.00 C ATOM 796 CG PHE A 593 -5.856 -1.366 -7.639 1.00 0.00 C ATOM 797 CD1 PHE A 593 -5.207 -0.773 -8.710 1.00 0.00 C ATOM 798 CD2 PHE A 593 -7.240 -1.394 -7.631 1.00 0.00 C ATOM 799 CE1 PHE A 593 -5.925 -0.219 -9.752 1.00 0.00 C ATOM 800 CE2 PHE A 593 -7.965 -0.840 -8.669 1.00 0.00 C ATOM 801 CZ PHE A 593 -7.306 -0.252 -9.732 1.00 0.00 C ATOM 0 H PHE A 593 -5.897 -4.523 -6.718 1.00 0.00 H new ATOM 0 HA PHE A 593 -3.608 -2.952 -7.743 1.00 0.00 H new ATOM 0 HB2 PHE A 593 -5.759 -2.241 -5.706 1.00 0.00 H new ATOM 0 HB3 PHE A 593 -4.391 -1.222 -6.108 1.00 0.00 H new ATOM 0 HD1 PHE A 593 -4.128 -0.744 -8.730 1.00 0.00 H new ATOM 0 HD2 PHE A 593 -7.759 -1.854 -6.804 1.00 0.00 H new ATOM 0 HE1 PHE A 593 -5.407 0.240 -10.582 1.00 0.00 H new ATOM 0 HE2 PHE A 593 -9.044 -0.867 -8.650 1.00 0.00 H new ATOM 0 HZ PHE A 593 -7.869 0.181 -10.545 1.00 0.00 H new ATOM 811 N ARG A 594 -4.031 -4.327 -4.767 1.00 0.00 N ATOM 812 CA ARG A 594 -3.301 -4.810 -3.597 1.00 0.00 C ATOM 813 C ARG A 594 -2.132 -5.701 -4.003 1.00 0.00 C ATOM 814 O ARG A 594 -1.125 -5.768 -3.303 1.00 0.00 O ATOM 815 CB ARG A 594 -4.229 -5.577 -2.654 1.00 0.00 C ATOM 816 CG ARG A 594 -5.003 -6.692 -3.332 1.00 0.00 C ATOM 817 CD ARG A 594 -6.296 -7.001 -2.595 1.00 0.00 C ATOM 818 NE ARG A 594 -6.291 -8.345 -2.029 1.00 0.00 N ATOM 819 CZ ARG A 594 -7.390 -9.008 -1.677 1.00 0.00 C ATOM 820 NH1 ARG A 594 -8.586 -8.453 -1.833 1.00 0.00 N ATOM 821 NH2 ARG A 594 -7.295 -10.229 -1.168 1.00 0.00 N ATOM 0 H ARG A 594 -5.030 -4.530 -4.758 1.00 0.00 H new ATOM 0 HA ARG A 594 -2.908 -3.937 -3.076 1.00 0.00 H new ATOM 0 HB2 ARG A 594 -3.638 -5.999 -1.841 1.00 0.00 H new ATOM 0 HB3 ARG A 594 -4.935 -4.878 -2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 594 -5.228 -6.407 -4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 594 -4.386 -7.589 -3.378 1.00 0.00 H new ATOM 0 HD2 ARG A 594 -6.443 -6.272 -1.798 1.00 0.00 H new ATOM 0 HD3 ARG A 594 -7.138 -6.899 -3.280 1.00 0.00 H new ATOM 0 HE ARG A 594 -5.390 -8.805 -1.895 1.00 0.00 H new ATOM 0 HH11 ARG A 594 -8.666 -7.514 -2.224 1.00 0.00 H new ATOM 0 HH12 ARG A 594 -9.425 -8.965 -1.562 1.00 0.00 H new ATOM 0 HH21 ARG A 594 -6.379 -10.661 -1.046 1.00 0.00 H new ATOM 0 HH22 ARG A 594 -8.138 -10.736 -0.899 1.00 0.00 H new ATOM 835 N HIS A 595 -2.267 -6.384 -5.135 1.00 0.00 N ATOM 836 CA HIS A 595 -1.209 -7.264 -5.615 1.00 0.00 C ATOM 837 C HIS A 595 0.016 -6.455 -6.025 1.00 0.00 C ATOM 838 O HIS A 595 1.134 -6.744 -5.597 1.00 0.00 O ATOM 839 CB HIS A 595 -1.706 -8.104 -6.793 1.00 0.00 C ATOM 840 CG HIS A 595 -1.282 -9.537 -6.722 1.00 0.00 C ATOM 841 ND1 HIS A 595 -0.845 -10.248 -7.820 1.00 0.00 N ATOM 842 CD2 HIS A 595 -1.229 -10.395 -5.675 1.00 0.00 C ATOM 843 CE1 HIS A 595 -0.542 -11.481 -7.451 1.00 0.00 C ATOM 844 NE2 HIS A 595 -0.766 -11.595 -6.155 1.00 0.00 N ATOM 0 H HIS A 595 -3.092 -6.346 -5.733 1.00 0.00 H new ATOM 0 HA HIS A 595 -0.926 -7.934 -4.803 1.00 0.00 H new ATOM 0 HB2 HIS A 595 -2.794 -8.056 -6.830 1.00 0.00 H new ATOM 0 HB3 HIS A 595 -1.336 -7.669 -7.721 1.00 0.00 H new ATOM 0 HD2 HIS A 595 -1.500 -10.176 -4.653 1.00 0.00 H new ATOM 0 HE1 HIS A 595 -0.174 -12.262 -8.100 1.00 0.00 H new ATOM 0 HE2 HIS A 595 -0.619 -12.438 -5.600 1.00 0.00 H new ATOM 853 N ALA A 596 -0.202 -5.430 -6.845 1.00 0.00 N ATOM 854 CA ALA A 596 0.887 -4.574 -7.292 1.00 0.00 C ATOM 855 C ALA A 596 1.452 -3.786 -6.120 1.00 0.00 C ATOM 856 O ALA A 596 2.667 -3.716 -5.924 1.00 0.00 O ATOM 857 CB ALA A 596 0.406 -3.631 -8.387 1.00 0.00 C ATOM 0 H ALA A 596 -1.119 -5.175 -7.211 1.00 0.00 H new ATOM 0 HA ALA A 596 1.678 -5.201 -7.702 1.00 0.00 H new ATOM 0 HB1 ALA A 596 1.232 -2.998 -8.710 1.00 0.00 H new ATOM 0 HB2 ALA A 596 0.041 -4.213 -9.234 1.00 0.00 H new ATOM 0 HB3 ALA A 596 -0.400 -3.007 -8.001 1.00 0.00 H new ATOM 863 N ILE A 597 0.553 -3.211 -5.332 1.00 0.00 N ATOM 864 CA ILE A 597 0.946 -2.441 -4.161 1.00 0.00 C ATOM 865 C ILE A 597 1.732 -3.320 -3.196 1.00 0.00 C ATOM 866 O ILE A 597 2.784 -2.925 -2.697 1.00 0.00 O ATOM 867 CB ILE A 597 -0.283 -1.850 -3.437 1.00 0.00 C ATOM 868 CG1 ILE A 597 -1.132 -1.033 -4.415 1.00 0.00 C ATOM 869 CG2 ILE A 597 0.152 -0.986 -2.262 1.00 0.00 C ATOM 870 CD1 ILE A 597 -2.576 -0.887 -3.982 1.00 0.00 C ATOM 0 H ILE A 597 -0.454 -3.264 -5.483 1.00 0.00 H new ATOM 0 HA ILE A 597 1.573 -1.617 -4.500 1.00 0.00 H new ATOM 0 HB ILE A 597 -0.887 -2.672 -3.053 1.00 0.00 H new ATOM 0 HG12 ILE A 597 -0.692 -0.042 -4.526 1.00 0.00 H new ATOM 0 HG13 ILE A 597 -1.101 -1.508 -5.396 1.00 0.00 H new ATOM 0 HG21 ILE A 597 -0.728 -0.578 -1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 597 0.720 -1.591 -1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 597 0.776 -0.168 -2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 597 -3.119 -0.297 -4.720 1.00 0.00 H new ATOM 0 HD12 ILE A 597 -3.032 -1.873 -3.898 1.00 0.00 H new ATOM 0 HD13 ILE A 597 -2.617 -0.385 -3.015 1.00 0.00 H new ATOM 882 N TRP A 598 1.221 -4.525 -2.956 1.00 0.00 N ATOM 883 CA TRP A 598 1.881 -5.475 -2.067 1.00 0.00 C ATOM 884 C TRP A 598 3.310 -5.727 -2.530 1.00 0.00 C ATOM 885 O TRP A 598 4.245 -5.719 -1.730 1.00 0.00 O ATOM 886 CB TRP A 598 1.106 -6.795 -2.023 1.00 0.00 C ATOM 887 CG TRP A 598 1.695 -7.799 -1.081 1.00 0.00 C ATOM 888 CD1 TRP A 598 2.031 -7.597 0.227 1.00 0.00 C ATOM 889 CD2 TRP A 598 2.017 -9.163 -1.372 1.00 0.00 C ATOM 890 NE1 TRP A 598 2.544 -8.752 0.766 1.00 0.00 N ATOM 891 CE2 TRP A 598 2.545 -9.728 -0.195 1.00 0.00 C ATOM 892 CE3 TRP A 598 1.910 -9.963 -2.513 1.00 0.00 C ATOM 893 CZ2 TRP A 598 2.965 -11.054 -0.128 1.00 0.00 C ATOM 894 CZ3 TRP A 598 2.326 -11.280 -2.446 1.00 0.00 C ATOM 895 CH2 TRP A 598 2.848 -11.813 -1.261 1.00 0.00 C ATOM 0 H TRP A 598 0.351 -4.866 -3.365 1.00 0.00 H new ATOM 0 HA TRP A 598 1.904 -5.048 -1.064 1.00 0.00 H new ATOM 0 HB2 TRP A 598 0.076 -6.593 -1.730 1.00 0.00 H new ATOM 0 HB3 TRP A 598 1.074 -7.223 -3.025 1.00 0.00 H new ATOM 0 HD1 TRP A 598 1.911 -6.665 0.760 1.00 0.00 H new ATOM 0 HE1 TRP A 598 2.871 -8.864 1.726 1.00 0.00 H new ATOM 0 HE3 TRP A 598 1.509 -9.560 -3.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 3.368 -11.468 0.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 2.247 -11.907 -3.321 1.00 0.00 H new ATOM 0 HH2 TRP A 598 3.165 -12.845 -1.241 1.00 0.00 H new ATOM 906 N LYS A 599 3.471 -5.940 -3.833 1.00 0.00 N ATOM 907 CA LYS A 599 4.788 -6.182 -4.410 1.00 0.00 C ATOM 908 C LYS A 599 5.722 -5.019 -4.095 1.00 0.00 C ATOM 909 O LYS A 599 6.882 -5.218 -3.734 1.00 0.00 O ATOM 910 CB LYS A 599 4.678 -6.378 -5.924 1.00 0.00 C ATOM 911 CG LYS A 599 4.983 -7.798 -6.377 1.00 0.00 C ATOM 912 CD LYS A 599 4.016 -8.261 -7.454 1.00 0.00 C ATOM 913 CE LYS A 599 4.524 -7.918 -8.845 1.00 0.00 C ATOM 914 NZ LYS A 599 5.153 -9.090 -9.512 1.00 0.00 N ATOM 0 H LYS A 599 2.706 -5.950 -4.508 1.00 0.00 H new ATOM 0 HA LYS A 599 5.199 -7.091 -3.971 1.00 0.00 H new ATOM 0 HB2 LYS A 599 3.671 -6.112 -6.244 1.00 0.00 H new ATOM 0 HB3 LYS A 599 5.363 -5.692 -6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 599 6.003 -7.848 -6.757 1.00 0.00 H new ATOM 0 HG3 LYS A 599 4.928 -8.473 -5.523 1.00 0.00 H new ATOM 0 HD2 LYS A 599 3.870 -9.338 -7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 599 3.043 -7.795 -7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 599 3.696 -7.555 -9.454 1.00 0.00 H new ATOM 0 HE3 LYS A 599 5.249 -7.107 -8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 599 5.486 -8.814 -10.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 599 5.959 -9.421 -8.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 599 4.454 -9.855 -9.601 1.00 0.00 H new ATOM 928 N GLY A 600 5.202 -3.802 -4.228 1.00 0.00 N ATOM 929 CA GLY A 600 5.998 -2.623 -3.945 1.00 0.00 C ATOM 930 C GLY A 600 6.455 -2.573 -2.500 1.00 0.00 C ATOM 931 O GLY A 600 7.584 -2.178 -2.211 1.00 0.00 O ATOM 0 H GLY A 600 4.245 -3.613 -4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 600 6.869 -2.609 -4.600 1.00 0.00 H new ATOM 0 HA3 GLY A 600 5.415 -1.730 -4.171 1.00 0.00 H new ATOM 935 N ILE A 601 5.573 -2.980 -1.590 1.00 0.00 N ATOM 936 CA ILE A 601 5.890 -2.985 -0.166 1.00 0.00 C ATOM 937 C ILE A 601 6.953 -4.035 0.150 1.00 0.00 C ATOM 938 O ILE A 601 7.831 -3.812 0.984 1.00 0.00 O ATOM 939 CB ILE A 601 4.638 -3.264 0.691 1.00 0.00 C ATOM 940 CG1 ILE A 601 3.517 -2.287 0.331 1.00 0.00 C ATOM 941 CG2 ILE A 601 4.973 -3.170 2.174 1.00 0.00 C ATOM 942 CD1 ILE A 601 3.844 -0.845 0.654 1.00 0.00 C ATOM 0 H ILE A 601 4.634 -3.310 -1.814 1.00 0.00 H new ATOM 0 HA ILE A 601 6.271 -1.994 0.079 1.00 0.00 H new ATOM 0 HB ILE A 601 4.295 -4.277 0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 601 3.300 -2.372 -0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 601 2.611 -2.574 0.865 1.00 0.00 H new ATOM 0 HG21 ILE A 601 4.078 -3.370 2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 601 5.741 -3.903 2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 601 5.341 -2.169 2.401 1.00 0.00 H new ATOM 0 HD11 ILE A 601 3.004 -0.210 0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 601 4.032 -0.745 1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 601 4.732 -0.540 0.100 1.00 0.00 H new ATOM 954 N LEU A 602 6.864 -5.178 -0.522 1.00 0.00 N ATOM 955 CA LEU A 602 7.814 -6.264 -0.315 1.00 0.00 C ATOM 956 C LEU A 602 9.209 -5.866 -0.786 1.00 0.00 C ATOM 957 O LEU A 602 10.192 -6.045 -0.066 1.00 0.00 O ATOM 958 CB LEU A 602 7.351 -7.516 -1.060 1.00 0.00 C ATOM 959 CG LEU A 602 6.321 -8.369 -0.315 1.00 0.00 C ATOM 960 CD1 LEU A 602 5.337 -8.993 -1.294 1.00 0.00 C ATOM 961 CD2 LEU A 602 7.016 -9.446 0.504 1.00 0.00 C ATOM 0 H LEU A 602 6.143 -5.376 -1.215 1.00 0.00 H new ATOM 0 HA LEU A 602 7.860 -6.477 0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 602 6.926 -7.214 -2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 602 8.222 -8.134 -1.278 1.00 0.00 H new ATOM 0 HG LEU A 602 5.765 -7.724 0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 602 4.612 -9.596 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 602 4.816 -8.205 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 602 5.877 -9.626 -1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 602 6.270 -10.044 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 602 7.596 -10.089 -0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 602 7.681 -8.979 1.230 1.00 0.00 H new ATOM 973 N ASP A 603 9.288 -5.327 -1.998 1.00 0.00 N ATOM 974 CA ASP A 603 10.564 -4.904 -2.565 1.00 0.00 C ATOM 975 C ASP A 603 11.236 -3.859 -1.681 1.00 0.00 C ATOM 976 O ASP A 603 12.463 -3.786 -1.611 1.00 0.00 O ATOM 977 CB ASP A 603 10.358 -4.340 -3.973 1.00 0.00 C ATOM 978 CG ASP A 603 10.258 -5.429 -5.023 1.00 0.00 C ATOM 979 OD1 ASP A 603 10.734 -6.553 -4.759 1.00 0.00 O ATOM 980 OD2 ASP A 603 9.704 -5.157 -6.108 1.00 0.00 O ATOM 0 H ASP A 603 8.484 -5.173 -2.607 1.00 0.00 H new ATOM 0 HA ASP A 603 11.214 -5.777 -2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 603 9.450 -3.737 -3.991 1.00 0.00 H new ATOM 0 HB3 ASP A 603 11.186 -3.676 -4.220 1.00 0.00 H new ATOM 985 N HIS A 604 10.424 -3.052 -1.006 1.00 0.00 N ATOM 986 CA HIS A 604 10.940 -2.010 -0.125 1.00 0.00 C ATOM 987 C HIS A 604 11.403 -2.599 1.203 1.00 0.00 C ATOM 988 O HIS A 604 12.372 -2.128 1.799 1.00 0.00 O ATOM 989 CB HIS A 604 9.869 -0.946 0.122 1.00 0.00 C ATOM 990 CG HIS A 604 10.415 0.333 0.680 1.00 0.00 C ATOM 991 ND1 HIS A 604 11.401 1.067 0.056 1.00 0.00 N ATOM 992 CD2 HIS A 604 10.106 1.007 1.813 1.00 0.00 C ATOM 993 CE1 HIS A 604 11.676 2.137 0.781 1.00 0.00 C ATOM 994 NE2 HIS A 604 10.904 2.125 1.851 1.00 0.00 N ATOM 0 H HIS A 604 9.406 -3.099 -1.052 1.00 0.00 H new ATOM 0 HA HIS A 604 11.797 -1.547 -0.615 1.00 0.00 H new ATOM 0 HB2 HIS A 604 9.355 -0.734 -0.816 1.00 0.00 H new ATOM 0 HB3 HIS A 604 9.124 -1.345 0.810 1.00 0.00 H new ATOM 0 HD2 HIS A 604 9.370 0.720 2.549 1.00 0.00 H new ATOM 0 HE1 HIS A 604 12.408 2.893 0.539 1.00 0.00 H new ATOM 0 HE2 HIS A 604 10.900 2.831 2.587 1.00 0.00 H new ATOM 1003 N ARG A 605 10.704 -3.632 1.663 1.00 0.00 N ATOM 1004 CA ARG A 605 11.045 -4.285 2.922 1.00 0.00 C ATOM 1005 C ARG A 605 12.267 -5.182 2.759 1.00 0.00 C ATOM 1006 O ARG A 605 13.050 -5.359 3.693 1.00 0.00 O ATOM 1007 CB ARG A 605 9.860 -5.109 3.431 1.00 0.00 C ATOM 1008 CG ARG A 605 10.058 -5.656 4.835 1.00 0.00 C ATOM 1009 CD ARG A 605 9.372 -7.002 5.010 1.00 0.00 C ATOM 1010 NE ARG A 605 10.101 -8.079 4.346 1.00 0.00 N ATOM 1011 CZ ARG A 605 9.766 -9.365 4.433 1.00 0.00 C ATOM 1012 NH1 ARG A 605 8.714 -9.736 5.153 1.00 0.00 N ATOM 1013 NH2 ARG A 605 10.483 -10.281 3.798 1.00 0.00 N ATOM 0 H ARG A 605 9.899 -4.035 1.183 1.00 0.00 H new ATOM 0 HA ARG A 605 11.281 -3.509 3.650 1.00 0.00 H new ATOM 0 HB2 ARG A 605 8.963 -4.489 3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 605 9.686 -5.940 2.747 1.00 0.00 H new ATOM 0 HG2 ARG A 605 11.124 -5.760 5.039 1.00 0.00 H new ATOM 0 HG3 ARG A 605 9.662 -4.947 5.562 1.00 0.00 H new ATOM 0 HD2 ARG A 605 9.282 -7.227 6.073 1.00 0.00 H new ATOM 0 HD3 ARG A 605 8.360 -6.948 4.608 1.00 0.00 H new ATOM 0 HE ARG A 605 10.915 -7.832 3.783 1.00 0.00 H new ATOM 0 HH11 ARG A 605 8.158 -9.035 5.643 1.00 0.00 H new ATOM 0 HH12 ARG A 605 8.462 -10.722 5.216 1.00 0.00 H new ATOM 0 HH21 ARG A 605 11.291 -10.001 3.243 1.00 0.00 H new ATOM 0 HH22 ARG A 605 10.226 -11.266 3.865 1.00 0.00 H new ATOM 1027 N GLN A 606 12.428 -5.745 1.566 1.00 0.00 N ATOM 1028 CA GLN A 606 13.555 -6.624 1.280 1.00 0.00 C ATOM 1029 C GLN A 606 14.879 -5.890 1.471 1.00 0.00 C ATOM 1030 O GLN A 606 15.887 -6.494 1.840 1.00 0.00 O ATOM 1031 CB GLN A 606 13.460 -7.163 -0.149 1.00 0.00 C ATOM 1032 CG GLN A 606 12.694 -8.473 -0.254 1.00 0.00 C ATOM 1033 CD GLN A 606 13.018 -9.235 -1.525 1.00 0.00 C ATOM 1034 OE1 GLN A 606 13.581 -10.330 -1.479 1.00 0.00 O ATOM 1035 NE2 GLN A 606 12.662 -8.661 -2.667 1.00 0.00 N ATOM 0 H GLN A 606 11.791 -5.608 0.781 1.00 0.00 H new ATOM 0 HA GLN A 606 13.518 -7.459 1.979 1.00 0.00 H new ATOM 0 HB2 GLN A 606 12.976 -6.417 -0.779 1.00 0.00 H new ATOM 0 HB3 GLN A 606 14.466 -7.307 -0.542 1.00 0.00 H new ATOM 0 HG2 GLN A 606 12.927 -9.097 0.609 1.00 0.00 H new ATOM 0 HG3 GLN A 606 11.624 -8.268 -0.220 1.00 0.00 H new ATOM 0 HE21 GLN A 606 12.198 -7.753 -2.658 1.00 0.00 H new ATOM 0 HE22 GLN A 606 12.853 -9.128 -3.554 1.00 0.00 H new ATOM 1044 N LEU A 607 14.870 -4.586 1.218 1.00 0.00 N ATOM 1045 CA LEU A 607 16.070 -3.770 1.363 1.00 0.00 C ATOM 1046 C LEU A 607 16.435 -3.594 2.833 1.00 0.00 C ATOM 1047 O LEU A 607 17.612 -3.541 3.188 1.00 0.00 O ATOM 1048 CB LEU A 607 15.863 -2.403 0.709 1.00 0.00 C ATOM 1049 CG LEU A 607 15.274 -2.441 -0.702 1.00 0.00 C ATOM 1050 CD1 LEU A 607 14.918 -1.039 -1.169 1.00 0.00 C ATOM 1051 CD2 LEU A 607 16.249 -3.096 -1.668 1.00 0.00 C ATOM 0 H LEU A 607 14.045 -4.071 0.911 1.00 0.00 H new ATOM 0 HA LEU A 607 16.891 -4.284 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 607 15.206 -1.809 1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 607 16.822 -1.886 0.672 1.00 0.00 H new ATOM 0 HG LEU A 607 14.361 -3.036 -0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 607 14.500 -1.086 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 607 14.183 -0.605 -0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 607 15.815 -0.419 -1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 607 15.814 -3.115 -2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 607 17.179 -2.528 -1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 607 16.454 -4.116 -1.342 1.00 0.00 H new ATOM 1063 N HIS A 608 15.417 -3.504 3.684 1.00 0.00 N ATOM 1064 CA HIS A 608 15.631 -3.333 5.116 1.00 0.00 C ATOM 1065 C HIS A 608 15.807 -4.683 5.804 1.00 0.00 C ATOM 1066 O HIS A 608 16.553 -4.803 6.776 1.00 0.00 O ATOM 1067 CB HIS A 608 14.458 -2.577 5.742 1.00 0.00 C ATOM 1068 CG HIS A 608 14.420 -1.125 5.380 1.00 0.00 C ATOM 1069 ND1 HIS A 608 14.919 -0.632 4.191 1.00 0.00 N ATOM 1070 CD2 HIS A 608 13.940 -0.055 6.057 1.00 0.00 C ATOM 1071 CE1 HIS A 608 14.747 0.677 4.154 1.00 0.00 C ATOM 1072 NE2 HIS A 608 14.155 1.051 5.273 1.00 0.00 N ATOM 0 H HIS A 608 14.436 -3.547 3.406 1.00 0.00 H new ATOM 0 HA HIS A 608 16.543 -2.753 5.255 1.00 0.00 H new ATOM 0 HB2 HIS A 608 13.525 -3.046 5.428 1.00 0.00 H new ATOM 0 HB3 HIS A 608 14.513 -2.671 6.827 1.00 0.00 H new ATOM 0 HD2 HIS A 608 13.475 -0.069 7.032 1.00 0.00 H new ATOM 0 HE1 HIS A 608 15.041 1.330 3.346 1.00 0.00 H new ATOM 0 HE2 HIS A 608 13.899 2.008 5.516 1.00 0.00 H new ATOM 1081 N GLU A 609 15.113 -5.695 5.295 1.00 0.00 N ATOM 1082 CA GLU A 609 15.192 -7.037 5.860 1.00 0.00 C ATOM 1083 C GLU A 609 16.598 -7.610 5.710 1.00 0.00 C ATOM 1084 O GLU A 609 16.905 -8.274 4.721 1.00 0.00 O ATOM 1085 CB GLU A 609 14.178 -7.960 5.182 1.00 0.00 C ATOM 1086 CG GLU A 609 13.610 -9.025 6.107 1.00 0.00 C ATOM 1087 CD GLU A 609 14.496 -10.253 6.196 1.00 0.00 C ATOM 1088 OE1 GLU A 609 14.449 -11.088 5.269 1.00 0.00 O ATOM 1089 OE2 GLU A 609 15.239 -10.378 7.193 1.00 0.00 O ATOM 0 H GLU A 609 14.489 -5.612 4.492 1.00 0.00 H new ATOM 0 HA GLU A 609 14.958 -6.970 6.922 1.00 0.00 H new ATOM 0 HB2 GLU A 609 13.359 -7.359 4.788 1.00 0.00 H new ATOM 0 HB3 GLU A 609 14.654 -8.447 4.331 1.00 0.00 H new ATOM 0 HG2 GLU A 609 13.479 -8.603 7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 609 12.622 -9.319 5.753 1.00 0.00 H new ATOM 1096 N PHE A 610 17.446 -7.349 6.699 1.00 0.00 N ATOM 1097 CA PHE A 610 18.819 -7.839 6.677 1.00 0.00 C ATOM 1098 C PHE A 610 18.909 -9.232 7.293 1.00 0.00 C ATOM 1099 O PHE A 610 17.900 -9.809 7.697 1.00 0.00 O ATOM 1100 CB PHE A 610 19.740 -6.872 7.427 1.00 0.00 C ATOM 1101 CG PHE A 610 20.688 -6.129 6.531 1.00 0.00 C ATOM 1102 CD1 PHE A 610 20.210 -5.368 5.475 1.00 0.00 C ATOM 1103 CD2 PHE A 610 22.055 -6.191 6.743 1.00 0.00 C ATOM 1104 CE1 PHE A 610 21.081 -4.682 4.649 1.00 0.00 C ATOM 1105 CE2 PHE A 610 22.929 -5.507 5.920 1.00 0.00 C ATOM 1106 CZ PHE A 610 22.442 -4.752 4.870 1.00 0.00 C ATOM 0 H PHE A 610 17.207 -6.801 7.525 1.00 0.00 H new ATOM 0 HA PHE A 610 19.141 -7.901 5.638 1.00 0.00 H new ATOM 0 HB2 PHE A 610 19.130 -6.152 7.973 1.00 0.00 H new ATOM 0 HB3 PHE A 610 20.314 -7.430 8.167 1.00 0.00 H new ATOM 0 HD1 PHE A 610 19.146 -5.311 5.296 1.00 0.00 H new ATOM 0 HD2 PHE A 610 22.442 -6.781 7.561 1.00 0.00 H new ATOM 0 HE1 PHE A 610 20.697 -4.091 3.831 1.00 0.00 H new ATOM 0 HE2 PHE A 610 23.993 -5.562 6.097 1.00 0.00 H new ATOM 0 HZ PHE A 610 23.124 -4.218 4.224 1.00 0.00 H new ATOM 1116 N SER A 611 20.124 -9.767 7.360 1.00 0.00 N ATOM 1117 CA SER A 611 20.347 -11.092 7.926 1.00 0.00 C ATOM 1118 C SER A 611 21.108 -11.002 9.245 1.00 0.00 C ATOM 1119 O SER A 611 20.901 -11.813 10.148 1.00 0.00 O ATOM 1120 CB SER A 611 21.119 -11.968 6.937 1.00 0.00 C ATOM 1121 OG SER A 611 20.242 -12.598 6.020 1.00 0.00 O ATOM 0 H SER A 611 20.970 -9.303 7.029 1.00 0.00 H new ATOM 0 HA SER A 611 19.374 -11.544 8.120 1.00 0.00 H new ATOM 0 HB2 SER A 611 21.841 -11.359 6.394 1.00 0.00 H new ATOM 0 HB3 SER A 611 21.685 -12.724 7.481 1.00 0.00 H new ATOM 0 HG SER A 611 20.760 -13.150 5.398 1.00 0.00 H new ATOM 1127 N SER A 612 21.988 -10.012 9.348 1.00 0.00 N ATOM 1128 CA SER A 612 22.780 -9.817 10.557 1.00 0.00 C ATOM 1129 C SER A 612 22.750 -8.355 10.998 1.00 0.00 C ATOM 1130 O SER A 612 23.579 -7.553 10.568 1.00 0.00 O ATOM 1131 CB SER A 612 24.226 -10.260 10.320 1.00 0.00 C ATOM 1132 OG SER A 612 24.410 -11.615 10.690 1.00 0.00 O ATOM 0 H SER A 612 22.171 -9.333 8.610 1.00 0.00 H new ATOM 0 HA SER A 612 22.345 -10.426 11.349 1.00 0.00 H new ATOM 0 HB2 SER A 612 24.483 -10.129 9.269 1.00 0.00 H new ATOM 0 HB3 SER A 612 24.903 -9.627 10.895 1.00 0.00 H new ATOM 0 HG SER A 612 25.341 -11.875 10.528 1.00 0.00 H new ATOM 1138 N PRO A 613 21.791 -7.988 11.867 1.00 0.00 N ATOM 1139 CA PRO A 613 21.662 -6.613 12.364 1.00 0.00 C ATOM 1140 C PRO A 613 22.812 -6.221 13.284 1.00 0.00 C ATOM 1141 O PRO A 613 23.221 -5.061 13.322 1.00 0.00 O ATOM 1142 CB PRO A 613 20.341 -6.636 13.137 1.00 0.00 C ATOM 1143 CG PRO A 613 20.160 -8.058 13.538 1.00 0.00 C ATOM 1144 CD PRO A 613 20.761 -8.880 12.432 1.00 0.00 C ATOM 0 HA PRO A 613 21.684 -5.883 11.555 1.00 0.00 H new ATOM 0 HB2 PRO A 613 20.381 -5.981 14.008 1.00 0.00 H new ATOM 0 HB3 PRO A 613 19.514 -6.291 12.517 1.00 0.00 H new ATOM 0 HG2 PRO A 613 20.654 -8.261 14.488 1.00 0.00 H new ATOM 0 HG3 PRO A 613 19.104 -8.295 13.671 1.00 0.00 H new ATOM 0 HD2 PRO A 613 21.194 -9.806 12.809 1.00 0.00 H new ATOM 0 HD3 PRO A 613 20.016 -9.157 11.686 1.00 0.00 H new ATOM 1152 N SER A 614 23.329 -7.196 14.026 1.00 0.00 N ATOM 1153 CA SER A 614 24.434 -6.952 14.947 1.00 0.00 C ATOM 1154 C SER A 614 25.648 -7.796 14.574 1.00 0.00 C ATOM 1155 O SER A 614 25.563 -8.683 13.725 1.00 0.00 O ATOM 1156 CB SER A 614 24.005 -7.260 16.383 1.00 0.00 C ATOM 1157 OG SER A 614 22.834 -6.543 16.730 1.00 0.00 O ATOM 0 H SER A 614 23.001 -8.162 14.007 1.00 0.00 H new ATOM 0 HA SER A 614 24.710 -5.900 14.875 1.00 0.00 H new ATOM 0 HB2 SER A 614 23.826 -8.330 16.491 1.00 0.00 H new ATOM 0 HB3 SER A 614 24.811 -7.001 17.070 1.00 0.00 H new ATOM 0 HG SER A 614 22.580 -6.758 17.652 1.00 0.00 H new ATOM 1163 N HIS A 615 26.778 -7.513 15.214 1.00 0.00 N ATOM 1164 CA HIS A 615 28.011 -8.247 14.948 1.00 0.00 C ATOM 1165 C HIS A 615 28.240 -9.325 16.002 1.00 0.00 C ATOM 1166 O HIS A 615 28.499 -9.023 17.167 1.00 0.00 O ATOM 1167 CB HIS A 615 29.203 -7.288 14.916 1.00 0.00 C ATOM 1168 CG HIS A 615 29.072 -6.206 13.890 1.00 0.00 C ATOM 1169 ND1 HIS A 615 28.013 -5.324 13.856 1.00 0.00 N ATOM 1170 CD2 HIS A 615 29.877 -5.865 12.854 1.00 0.00 C ATOM 1171 CE1 HIS A 615 28.171 -4.488 12.844 1.00 0.00 C ATOM 1172 NE2 HIS A 615 29.294 -4.795 12.222 1.00 0.00 N ATOM 0 H HIS A 615 26.866 -6.782 15.920 1.00 0.00 H new ATOM 0 HA HIS A 615 27.915 -8.729 13.975 1.00 0.00 H new ATOM 0 HB2 HIS A 615 29.319 -6.833 15.900 1.00 0.00 H new ATOM 0 HB3 HIS A 615 30.112 -7.857 14.719 1.00 0.00 H new ATOM 0 HD2 HIS A 615 30.804 -6.345 12.578 1.00 0.00 H new ATOM 0 HE1 HIS A 615 27.496 -3.690 12.572 1.00 0.00 H new ATOM 0 HE2 HIS A 615 29.668 -4.315 11.404 1.00 0.00 H new ATOM 1181 N LEU A 616 28.144 -10.584 15.583 1.00 0.00 N ATOM 1182 CA LEU A 616 28.342 -11.711 16.488 1.00 0.00 C ATOM 1183 C LEU A 616 27.292 -11.714 17.594 1.00 0.00 C ATOM 1184 O LEU A 616 27.140 -10.735 18.324 1.00 0.00 O ATOM 1185 CB LEU A 616 29.745 -11.665 17.099 1.00 0.00 C ATOM 1186 CG LEU A 616 30.892 -11.783 16.095 1.00 0.00 C ATOM 1187 CD1 LEU A 616 32.075 -10.932 16.530 1.00 0.00 C ATOM 1188 CD2 LEU A 616 31.311 -13.237 15.933 1.00 0.00 C ATOM 0 H LEU A 616 27.930 -10.849 14.622 1.00 0.00 H new ATOM 0 HA LEU A 616 28.236 -12.629 15.910 1.00 0.00 H new ATOM 0 HB2 LEU A 616 29.856 -10.729 17.646 1.00 0.00 H new ATOM 0 HB3 LEU A 616 29.835 -12.472 17.826 1.00 0.00 H new ATOM 0 HG LEU A 616 30.542 -11.415 15.130 1.00 0.00 H new ATOM 0 HD11 LEU A 616 32.881 -11.030 15.802 1.00 0.00 H new ATOM 0 HD12 LEU A 616 31.768 -9.888 16.594 1.00 0.00 H new ATOM 0 HD13 LEU A 616 32.425 -11.267 17.506 1.00 0.00 H new ATOM 0 HD21 LEU A 616 32.128 -13.302 15.215 1.00 0.00 H new ATOM 0 HD22 LEU A 616 31.641 -13.630 16.895 1.00 0.00 H new ATOM 0 HD23 LEU A 616 30.464 -13.822 15.573 1.00 0.00 H new ATOM 1200 N LEU A 617 26.569 -12.824 17.712 1.00 0.00 N ATOM 1201 CA LEU A 617 25.533 -12.956 18.730 1.00 0.00 C ATOM 1202 C LEU A 617 25.961 -13.934 19.819 1.00 0.00 C ATOM 1203 O LEU A 617 26.659 -14.911 19.550 1.00 0.00 O ATOM 1204 CB LEU A 617 24.221 -13.423 18.095 1.00 0.00 C ATOM 1205 CG LEU A 617 23.368 -12.314 17.479 1.00 0.00 C ATOM 1206 CD1 LEU A 617 23.095 -11.222 18.502 1.00 0.00 C ATOM 1207 CD2 LEU A 617 24.054 -11.737 16.250 1.00 0.00 C ATOM 0 H LEU A 617 26.682 -13.644 17.116 1.00 0.00 H new ATOM 0 HA LEU A 617 25.380 -11.978 19.186 1.00 0.00 H new ATOM 0 HB2 LEU A 617 24.450 -14.156 17.321 1.00 0.00 H new ATOM 0 HB3 LEU A 617 23.630 -13.935 18.854 1.00 0.00 H new ATOM 0 HG LEU A 617 22.414 -12.742 17.171 1.00 0.00 H new ATOM 0 HD11 LEU A 617 22.487 -10.441 18.047 1.00 0.00 H new ATOM 0 HD12 LEU A 617 22.563 -11.646 19.354 1.00 0.00 H new ATOM 0 HD13 LEU A 617 24.040 -10.796 18.840 1.00 0.00 H new ATOM 0 HD21 LEU A 617 23.434 -10.949 15.823 1.00 0.00 H new ATOM 0 HD22 LEU A 617 25.022 -11.324 16.534 1.00 0.00 H new ATOM 0 HD23 LEU A 617 24.199 -12.525 15.511 1.00 0.00 H new ATOM 1219 N ARG A 618 25.536 -13.665 21.050 1.00 0.00 N ATOM 1220 CA ARG A 618 25.874 -14.522 22.180 1.00 0.00 C ATOM 1221 C ARG A 618 25.012 -15.779 22.185 1.00 0.00 C ATOM 1222 O ARG A 618 24.125 -15.940 21.346 1.00 0.00 O ATOM 1223 CB ARG A 618 25.696 -13.761 23.495 1.00 0.00 C ATOM 1224 CG ARG A 618 24.257 -13.355 23.772 1.00 0.00 C ATOM 1225 CD ARG A 618 24.173 -12.335 24.897 1.00 0.00 C ATOM 1226 NE ARG A 618 24.358 -10.969 24.412 1.00 0.00 N ATOM 1227 CZ ARG A 618 23.987 -9.887 25.090 1.00 0.00 C ATOM 1228 NH1 ARG A 618 23.410 -10.005 26.280 1.00 0.00 N ATOM 1229 NH2 ARG A 618 24.192 -8.681 24.578 1.00 0.00 N ATOM 0 H ARG A 618 24.957 -12.860 21.290 1.00 0.00 H new ATOM 0 HA ARG A 618 26.918 -14.820 22.080 1.00 0.00 H new ATOM 0 HB2 ARG A 618 26.054 -14.382 24.316 1.00 0.00 H new ATOM 0 HB3 ARG A 618 26.320 -12.867 23.476 1.00 0.00 H new ATOM 0 HG2 ARG A 618 23.815 -12.938 22.867 1.00 0.00 H new ATOM 0 HG3 ARG A 618 23.673 -14.237 24.035 1.00 0.00 H new ATOM 0 HD2 ARG A 618 23.204 -12.417 25.389 1.00 0.00 H new ATOM 0 HD3 ARG A 618 24.931 -12.559 25.647 1.00 0.00 H new ATOM 0 HE ARG A 618 24.797 -10.838 23.501 1.00 0.00 H new ATOM 0 HH11 ARG A 618 23.249 -10.930 26.679 1.00 0.00 H new ATOM 0 HH12 ARG A 618 23.128 -9.171 26.795 1.00 0.00 H new ATOM 0 HH21 ARG A 618 24.634 -8.583 23.664 1.00 0.00 H new ATOM 0 HH22 ARG A 618 23.907 -7.851 25.098 1.00 0.00 H new ATOM 1243 N THR A 619 25.276 -16.669 23.136 1.00 0.00 N ATOM 1244 CA THR A 619 24.523 -17.912 23.250 1.00 0.00 C ATOM 1245 C THR A 619 24.299 -18.280 24.716 1.00 0.00 C ATOM 1246 O THR A 619 25.210 -18.168 25.537 1.00 0.00 O ATOM 1247 CB THR A 619 25.258 -19.046 22.534 1.00 0.00 C ATOM 1248 OG1 THR A 619 24.514 -20.250 22.607 1.00 0.00 O ATOM 1249 CG2 THR A 619 26.633 -19.321 23.105 1.00 0.00 C ATOM 0 H THR A 619 26.006 -16.552 23.839 1.00 0.00 H new ATOM 0 HA THR A 619 23.552 -17.764 22.778 1.00 0.00 H new ATOM 0 HB THR A 619 25.370 -18.713 21.502 1.00 0.00 H new ATOM 0 HG1 THR A 619 24.999 -20.963 22.142 1.00 0.00 H new ATOM 0 HG21 THR A 619 27.100 -20.136 22.552 1.00 0.00 H new ATOM 0 HG22 THR A 619 27.248 -18.425 23.020 1.00 0.00 H new ATOM 0 HG23 THR A 619 26.542 -19.600 24.155 1.00 0.00 H new ATOM 1257 N PRO A 620 23.079 -18.725 25.068 1.00 0.00 N ATOM 1258 CA PRO A 620 22.746 -19.107 26.443 1.00 0.00 C ATOM 1259 C PRO A 620 23.365 -20.443 26.840 1.00 0.00 C ATOM 1260 O PRO A 620 23.972 -21.128 26.016 1.00 0.00 O ATOM 1261 CB PRO A 620 21.221 -19.211 26.420 1.00 0.00 C ATOM 1262 CG PRO A 620 20.892 -19.568 25.011 1.00 0.00 C ATOM 1263 CD PRO A 620 21.929 -18.893 24.156 1.00 0.00 C ATOM 0 HA PRO A 620 23.128 -18.390 27.170 1.00 0.00 H new ATOM 0 HB2 PRO A 620 20.865 -19.971 27.115 1.00 0.00 H new ATOM 0 HB3 PRO A 620 20.755 -18.269 26.710 1.00 0.00 H new ATOM 0 HG2 PRO A 620 20.912 -20.648 24.868 1.00 0.00 H new ATOM 0 HG3 PRO A 620 19.890 -19.230 24.747 1.00 0.00 H new ATOM 0 HD2 PRO A 620 22.191 -19.500 23.289 1.00 0.00 H new ATOM 0 HD3 PRO A 620 21.574 -17.934 23.778 1.00 0.00 H new ATOM 1271 N SER A 621 23.207 -20.809 28.109 1.00 0.00 N ATOM 1272 CA SER A 621 23.750 -22.063 28.616 1.00 0.00 C ATOM 1273 C SER A 621 23.017 -22.501 29.879 1.00 0.00 C ATOM 1274 O SER A 621 22.615 -23.658 30.007 1.00 0.00 O ATOM 1275 CB SER A 621 25.245 -21.917 28.904 1.00 0.00 C ATOM 1276 OG SER A 621 25.968 -21.630 27.720 1.00 0.00 O ATOM 0 H SER A 621 22.707 -20.254 28.804 1.00 0.00 H new ATOM 0 HA SER A 621 23.608 -22.827 27.852 1.00 0.00 H new ATOM 0 HB2 SER A 621 25.402 -21.121 29.631 1.00 0.00 H new ATOM 0 HB3 SER A 621 25.624 -22.836 29.351 1.00 0.00 H new ATOM 0 HG SER A 621 25.394 -21.785 26.941 1.00 0.00 H new ATOM 1282 N SER A 622 22.846 -21.569 30.812 1.00 0.00 N ATOM 1283 CA SER A 622 22.162 -21.858 32.065 1.00 0.00 C ATOM 1284 C SER A 622 21.093 -20.809 32.356 1.00 0.00 C ATOM 1285 O SER A 622 20.242 -21.060 33.235 1.00 0.00 O ATOM 1286 CB SER A 622 23.165 -21.915 33.218 1.00 0.00 C ATOM 1287 OG SER A 622 22.601 -22.543 34.357 1.00 0.00 O ATOM 1288 OXT SER A 622 21.117 -19.744 31.704 1.00 0.00 O ATOM 0 H SER A 622 23.173 -20.607 30.722 1.00 0.00 H new ATOM 0 HA SER A 622 21.676 -22.829 31.968 1.00 0.00 H new ATOM 0 HB2 SER A 622 24.055 -22.459 32.903 1.00 0.00 H new ATOM 0 HB3 SER A 622 23.484 -20.905 33.477 1.00 0.00 H new ATOM 0 HG SER A 622 21.652 -22.307 34.425 1.00 0.00 H new TER 1294 SER A 622