USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 387 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 586 ASN : amide:sc= -0.742 K(o=-1,f=-3.7!) USER MOD Set 1.2: A 598 THR OG1 : rot -110:sc= -0.285 USER MOD Set 2.1: A 564 CYS SG : rot 119:sc= 1.07 USER MOD Set 2.2: A 567 CYS SG : rot -45:sc= 0.918 USER MOD Set 2.3: A 596 HIS : no HE2:sc= -2! K(o=-1.9!,f=-4) USER MOD Set 2.4: A 599 CYS SG : rot -175:sc= -1.92! USER MOD Single : A 549 LYS NZ :NH3+ -164:sc= -0.0257 (180deg=-0.233) USER MOD Single : A 550 TYR OH : rot 180:sc= 0 USER MOD Single : A 560 MET CE :methyl 156:sc= -0.229 (180deg=-0.88) USER MOD Single : A 563 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 LYS NZ :NH3+ 167:sc=-0.00825 (180deg=-0.154) USER MOD Single : A 570 THR OG1 : rot 180:sc= 0 USER MOD Single : A 572 THR OG1 : rot 180:sc= 0 USER MOD Single : A 575 TYR OH : rot 30:sc= -0.491 USER MOD Single : A 579 SER OG : rot -96:sc= 0.213 USER MOD Single : A 585 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 THR OG1 : rot -128:sc= -0.424 USER MOD Single : A 591 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.4) USER MOD Single : A 593 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0586) USER MOD Single : A 594 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 SER OG : rot 180:sc= -0.0212 USER MOD Single : A 600 TYR OH : rot 180:sc= 0 USER MOD Single : A 601 HIS : no HD1:sc= -0.0459 X(o=-0.046,f=0) USER MOD Single : A 603 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 548 3.787 10.194 1.161 1.00 3.09 N ATOM 2 CA GLY A 548 5.148 10.126 0.654 1.00 3.16 C ATOM 3 C GLY A 548 6.134 9.550 1.648 1.00 2.99 C ATOM 4 O GLY A 548 7.348 9.640 1.448 1.00 3.20 O ATOM 0 HA2 GLY A 548 5.160 9.519 -0.251 1.00 3.16 H new ATOM 0 HA3 GLY A 548 5.472 11.127 0.371 1.00 3.16 H new ATOM 8 N LYS A 549 5.628 8.971 2.724 1.00 2.86 N ATOM 9 CA LYS A 549 6.492 8.317 3.695 1.00 2.83 C ATOM 10 C LYS A 549 7.018 7.000 3.142 1.00 2.11 C ATOM 11 O LYS A 549 6.269 6.215 2.555 1.00 1.90 O ATOM 12 CB LYS A 549 5.762 8.081 5.018 1.00 3.31 C ATOM 13 CG LYS A 549 5.486 9.353 5.795 1.00 4.11 C ATOM 14 CD LYS A 549 4.783 9.058 7.109 1.00 4.62 C ATOM 15 CE LYS A 549 4.745 10.280 8.013 1.00 5.30 C ATOM 16 NZ LYS A 549 6.099 10.647 8.508 1.00 5.90 N ATOM 0 H LYS A 549 4.633 8.940 2.947 1.00 2.86 H new ATOM 0 HA LYS A 549 7.336 8.980 3.888 1.00 2.83 H new ATOM 0 HB2 LYS A 549 4.817 7.576 4.817 1.00 3.31 H new ATOM 0 HB3 LYS A 549 6.357 7.409 5.637 1.00 3.31 H new ATOM 0 HG2 LYS A 549 6.424 9.872 5.991 1.00 4.11 H new ATOM 0 HG3 LYS A 549 4.871 10.022 5.194 1.00 4.11 H new ATOM 0 HD2 LYS A 549 3.766 8.721 6.910 1.00 4.62 H new ATOM 0 HD3 LYS A 549 5.295 8.243 7.620 1.00 4.62 H new ATOM 0 HE2 LYS A 549 4.317 11.122 7.468 1.00 5.30 H new ATOM 0 HE3 LYS A 549 4.089 10.084 8.861 1.00 5.30 H new ATOM 0 HZ1 LYS A 549 6.009 11.295 9.316 1.00 5.90 H new ATOM 0 HZ2 LYS A 549 6.604 9.788 8.807 1.00 5.90 H new ATOM 0 HZ3 LYS A 549 6.632 11.114 7.747 1.00 5.90 H new ATOM 30 N TYR A 550 8.307 6.780 3.324 1.00 1.94 N ATOM 31 CA TYR A 550 8.952 5.561 2.865 1.00 1.39 C ATOM 32 C TYR A 550 9.375 4.727 4.062 1.00 1.35 C ATOM 33 O TYR A 550 9.508 5.241 5.177 1.00 1.69 O ATOM 34 CB TYR A 550 10.177 5.878 1.988 1.00 1.47 C ATOM 35 CG TYR A 550 11.379 6.392 2.753 1.00 1.76 C ATOM 36 CD1 TYR A 550 12.390 5.525 3.163 1.00 2.03 C ATOM 37 CD2 TYR A 550 11.500 7.737 3.069 1.00 2.30 C ATOM 38 CE1 TYR A 550 13.483 5.989 3.870 1.00 2.32 C ATOM 39 CE2 TYR A 550 12.591 8.206 3.770 1.00 2.61 C ATOM 40 CZ TYR A 550 13.578 7.333 4.168 1.00 2.43 C ATOM 41 OH TYR A 550 14.652 7.806 4.879 1.00 2.79 O ATOM 0 H TYR A 550 8.934 7.435 3.791 1.00 1.94 H new ATOM 0 HA TYR A 550 8.239 5.000 2.261 1.00 1.39 H new ATOM 0 HB2 TYR A 550 10.464 4.976 1.447 1.00 1.47 H new ATOM 0 HB3 TYR A 550 9.892 6.620 1.242 1.00 1.47 H new ATOM 0 HD1 TYR A 550 12.318 4.474 2.925 1.00 2.03 H new ATOM 0 HD2 TYR A 550 10.728 8.427 2.762 1.00 2.30 H new ATOM 0 HE1 TYR A 550 14.257 5.305 4.187 1.00 2.32 H new ATOM 0 HE2 TYR A 550 12.671 9.257 4.006 1.00 2.61 H new ATOM 0 HH TYR A 550 14.563 8.774 5.001 1.00 2.79 H new ATOM 51 N VAL A 551 9.589 3.449 3.829 1.00 1.06 N ATOM 52 CA VAL A 551 10.093 2.566 4.862 1.00 1.12 C ATOM 53 C VAL A 551 11.438 2.020 4.417 1.00 0.95 C ATOM 54 O VAL A 551 11.595 1.596 3.276 1.00 0.76 O ATOM 55 CB VAL A 551 9.120 1.394 5.130 1.00 1.29 C ATOM 56 CG1 VAL A 551 9.654 0.490 6.232 1.00 1.52 C ATOM 57 CG2 VAL A 551 7.736 1.920 5.487 1.00 1.44 C ATOM 0 H VAL A 551 9.421 2.996 2.930 1.00 1.06 H new ATOM 0 HA VAL A 551 10.194 3.131 5.788 1.00 1.12 H new ATOM 0 HB VAL A 551 9.037 0.803 4.218 1.00 1.29 H new ATOM 0 HG11 VAL A 551 8.953 -0.327 6.404 1.00 1.52 H new ATOM 0 HG12 VAL A 551 10.620 0.083 5.933 1.00 1.52 H new ATOM 0 HG13 VAL A 551 9.772 1.066 7.150 1.00 1.52 H new ATOM 0 HG21 VAL A 551 7.065 1.081 5.672 1.00 1.44 H new ATOM 0 HG22 VAL A 551 7.801 2.537 6.383 1.00 1.44 H new ATOM 0 HG23 VAL A 551 7.350 2.518 4.662 1.00 1.44 H new ATOM 67 N VAL A 552 12.412 2.081 5.307 1.00 1.09 N ATOM 68 CA VAL A 552 13.745 1.594 5.010 1.00 1.03 C ATOM 69 C VAL A 552 13.710 0.095 4.765 1.00 1.04 C ATOM 70 O VAL A 552 13.062 -0.647 5.504 1.00 1.24 O ATOM 71 CB VAL A 552 14.718 1.914 6.163 1.00 1.25 C ATOM 72 CG1 VAL A 552 16.123 1.425 5.850 1.00 1.21 C ATOM 73 CG2 VAL A 552 14.724 3.404 6.449 1.00 1.38 C ATOM 0 H VAL A 552 12.303 2.465 6.246 1.00 1.09 H new ATOM 0 HA VAL A 552 14.099 2.098 4.111 1.00 1.03 H new ATOM 0 HB VAL A 552 14.372 1.387 7.053 1.00 1.25 H new ATOM 0 HG11 VAL A 552 16.786 1.665 6.682 1.00 1.21 H new ATOM 0 HG12 VAL A 552 16.107 0.346 5.699 1.00 1.21 H new ATOM 0 HG13 VAL A 552 16.485 1.913 4.945 1.00 1.21 H new ATOM 0 HG21 VAL A 552 15.415 3.615 7.265 1.00 1.38 H new ATOM 0 HG22 VAL A 552 15.040 3.944 5.557 1.00 1.38 H new ATOM 0 HG23 VAL A 552 13.721 3.724 6.731 1.00 1.38 H new ATOM 83 N VAL A 553 14.396 -0.332 3.711 1.00 0.91 N ATOM 84 CA VAL A 553 14.429 -1.735 3.332 1.00 1.01 C ATOM 85 C VAL A 553 14.984 -2.571 4.475 1.00 1.28 C ATOM 86 O VAL A 553 16.099 -2.335 4.945 1.00 1.38 O ATOM 87 CB VAL A 553 15.277 -1.963 2.064 1.00 0.94 C ATOM 88 CG1 VAL A 553 15.352 -3.443 1.710 1.00 1.13 C ATOM 89 CG2 VAL A 553 14.712 -1.169 0.901 1.00 0.77 C ATOM 0 H VAL A 553 14.939 0.280 3.102 1.00 0.91 H new ATOM 0 HA VAL A 553 13.406 -2.042 3.114 1.00 1.01 H new ATOM 0 HB VAL A 553 16.289 -1.615 2.269 1.00 0.94 H new ATOM 0 HG11 VAL A 553 15.956 -3.572 0.812 1.00 1.13 H new ATOM 0 HG12 VAL A 553 15.806 -3.992 2.535 1.00 1.13 H new ATOM 0 HG13 VAL A 553 14.347 -3.825 1.529 1.00 1.13 H new ATOM 0 HG21 VAL A 553 15.321 -1.340 0.013 1.00 0.77 H new ATOM 0 HG22 VAL A 553 13.688 -1.488 0.706 1.00 0.77 H new ATOM 0 HG23 VAL A 553 14.720 -0.107 1.147 1.00 0.77 H new ATOM 99 N PRO A 554 14.186 -3.542 4.942 1.00 1.48 N ATOM 100 CA PRO A 554 14.545 -4.381 6.084 1.00 1.79 C ATOM 101 C PRO A 554 15.882 -5.086 5.892 1.00 1.89 C ATOM 102 O PRO A 554 16.153 -5.653 4.835 1.00 1.85 O ATOM 103 CB PRO A 554 13.416 -5.415 6.141 1.00 1.98 C ATOM 104 CG PRO A 554 12.268 -4.788 5.425 1.00 1.83 C ATOM 105 CD PRO A 554 12.859 -3.862 4.398 1.00 1.49 C ATOM 0 HA PRO A 554 14.655 -3.791 6.994 1.00 1.79 H new ATOM 0 HB2 PRO A 554 13.714 -6.349 5.664 1.00 1.98 H new ATOM 0 HB3 PRO A 554 13.153 -5.653 7.172 1.00 1.98 H new ATOM 0 HG2 PRO A 554 11.646 -5.547 4.951 1.00 1.83 H new ATOM 0 HG3 PRO A 554 11.630 -4.241 6.119 1.00 1.83 H new ATOM 0 HD2 PRO A 554 12.931 -4.341 3.421 1.00 1.49 H new ATOM 0 HD3 PRO A 554 12.252 -2.966 4.270 1.00 1.49 H new ATOM 182 N MET A 560 15.808 -7.124 -1.805 1.00 1.49 N ATOM 183 CA MET A 560 15.230 -5.794 -1.602 1.00 1.29 C ATOM 184 C MET A 560 13.880 -5.664 -2.302 1.00 1.12 C ATOM 185 O MET A 560 13.549 -4.601 -2.841 1.00 1.23 O ATOM 186 CB MET A 560 16.186 -4.702 -2.111 1.00 1.34 C ATOM 187 CG MET A 560 17.516 -4.638 -1.371 1.00 1.59 C ATOM 188 SD MET A 560 18.626 -5.997 -1.784 1.00 2.25 S ATOM 189 CE MET A 560 18.892 -5.707 -3.532 1.00 2.61 C ATOM 0 HA MET A 560 15.078 -5.663 -0.531 1.00 1.29 H new ATOM 0 HB2 MET A 560 16.381 -4.871 -3.170 1.00 1.34 H new ATOM 0 HB3 MET A 560 15.691 -3.735 -2.028 1.00 1.34 H new ATOM 0 HG2 MET A 560 18.008 -3.693 -1.602 1.00 1.59 H new ATOM 0 HG3 MET A 560 17.328 -4.645 -0.297 1.00 1.59 H new ATOM 0 HE1 MET A 560 19.837 -6.158 -3.836 1.00 2.61 H new ATOM 0 HE2 MET A 560 18.077 -6.152 -4.103 1.00 2.61 H new ATOM 0 HE3 MET A 560 18.924 -4.634 -3.722 1.00 2.61 H new ATOM 199 N ALA A 561 13.103 -6.739 -2.284 1.00 0.94 N ATOM 200 CA ALA A 561 11.831 -6.770 -2.972 1.00 0.77 C ATOM 201 C ALA A 561 10.801 -7.587 -2.206 1.00 0.73 C ATOM 202 O ALA A 561 11.135 -8.570 -1.544 1.00 0.95 O ATOM 203 CB ALA A 561 12.012 -7.335 -4.375 1.00 0.94 C ATOM 0 H ALA A 561 13.338 -7.603 -1.796 1.00 0.94 H new ATOM 0 HA ALA A 561 11.460 -5.747 -3.039 1.00 0.77 H new ATOM 0 HB1 ALA A 561 11.050 -7.355 -4.886 1.00 0.94 H new ATOM 0 HB2 ALA A 561 12.706 -6.707 -4.933 1.00 0.94 H new ATOM 0 HB3 ALA A 561 12.410 -8.348 -4.311 1.00 0.94 H new ATOM 209 N PHE A 562 9.551 -7.159 -2.284 1.00 0.55 N ATOM 210 CA PHE A 562 8.427 -7.942 -1.792 1.00 0.57 C ATOM 211 C PHE A 562 7.321 -7.874 -2.835 1.00 0.47 C ATOM 212 O PHE A 562 7.215 -6.885 -3.555 1.00 0.43 O ATOM 213 CB PHE A 562 7.924 -7.425 -0.433 1.00 0.65 C ATOM 214 CG PHE A 562 7.155 -6.128 -0.484 1.00 0.56 C ATOM 215 CD1 PHE A 562 5.776 -6.116 -0.633 1.00 0.84 C ATOM 216 CD2 PHE A 562 7.823 -4.915 -0.411 1.00 0.85 C ATOM 217 CE1 PHE A 562 5.082 -4.921 -0.706 1.00 0.84 C ATOM 218 CE2 PHE A 562 7.134 -3.719 -0.477 1.00 0.90 C ATOM 219 CZ PHE A 562 5.712 -3.749 -0.527 1.00 0.63 C ATOM 0 H PHE A 562 9.287 -6.261 -2.689 1.00 0.55 H new ATOM 0 HA PHE A 562 8.743 -8.973 -1.635 1.00 0.57 H new ATOM 0 HB2 PHE A 562 7.288 -8.188 0.015 1.00 0.65 H new ATOM 0 HB3 PHE A 562 8.781 -7.295 0.228 1.00 0.65 H new ATOM 0 HD1 PHE A 562 5.238 -7.050 -0.693 1.00 0.84 H new ATOM 0 HD2 PHE A 562 8.897 -4.905 -0.301 1.00 0.85 H new ATOM 0 HE1 PHE A 562 4.021 -4.931 -0.909 1.00 0.84 H new ATOM 0 HE2 PHE A 562 7.665 -2.779 -0.490 1.00 0.90 H new ATOM 0 HZ PHE A 562 5.144 -2.836 -0.422 1.00 0.63 H new ATOM 229 N LYS A 563 6.516 -8.909 -2.950 1.00 0.54 N ATOM 230 CA LYS A 563 5.501 -8.929 -3.985 1.00 0.52 C ATOM 231 C LYS A 563 4.176 -8.394 -3.458 1.00 0.45 C ATOM 232 O LYS A 563 3.606 -8.930 -2.509 1.00 0.54 O ATOM 233 CB LYS A 563 5.345 -10.338 -4.552 1.00 0.71 C ATOM 234 CG LYS A 563 4.427 -10.416 -5.762 1.00 0.80 C ATOM 235 CD LYS A 563 4.748 -11.635 -6.604 1.00 1.01 C ATOM 236 CE LYS A 563 3.899 -11.703 -7.861 1.00 1.60 C ATOM 237 NZ LYS A 563 4.329 -12.819 -8.739 1.00 2.18 N ATOM 0 H LYS A 563 6.541 -9.735 -2.352 1.00 0.54 H new ATOM 0 HA LYS A 563 5.821 -8.273 -4.795 1.00 0.52 H new ATOM 0 HB2 LYS A 563 6.328 -10.719 -4.829 1.00 0.71 H new ATOM 0 HB3 LYS A 563 4.958 -10.993 -3.771 1.00 0.71 H new ATOM 0 HG2 LYS A 563 3.388 -10.458 -5.434 1.00 0.80 H new ATOM 0 HG3 LYS A 563 4.534 -9.514 -6.364 1.00 0.80 H new ATOM 0 HD2 LYS A 563 5.802 -11.616 -6.880 1.00 1.01 H new ATOM 0 HD3 LYS A 563 4.590 -12.536 -6.011 1.00 1.01 H new ATOM 0 HE2 LYS A 563 2.852 -11.834 -7.589 1.00 1.60 H new ATOM 0 HE3 LYS A 563 3.972 -10.761 -8.404 1.00 1.60 H new ATOM 0 HZ1 LYS A 563 3.732 -12.841 -9.590 1.00 2.18 H new ATOM 0 HZ2 LYS A 563 5.322 -12.680 -9.016 1.00 2.18 H new ATOM 0 HZ3 LYS A 563 4.236 -13.719 -8.227 1.00 2.18 H new ATOM 251 N CYS A 564 3.706 -7.325 -4.085 1.00 0.35 N ATOM 252 CA CYS A 564 2.468 -6.668 -3.692 1.00 0.33 C ATOM 253 C CYS A 564 1.259 -7.461 -4.176 1.00 0.33 C ATOM 254 O CYS A 564 1.027 -7.575 -5.375 1.00 0.36 O ATOM 255 CB CYS A 564 2.459 -5.260 -4.286 1.00 0.34 C ATOM 256 SG CYS A 564 0.883 -4.381 -4.211 1.00 0.41 S ATOM 0 H CYS A 564 4.172 -6.889 -4.880 1.00 0.35 H new ATOM 0 HA CYS A 564 2.410 -6.612 -2.605 1.00 0.33 H new ATOM 0 HB2 CYS A 564 3.210 -4.664 -3.768 1.00 0.34 H new ATOM 0 HB3 CYS A 564 2.767 -5.325 -5.330 1.00 0.34 H new ATOM 0 HG CYS A 564 1.023 -3.298 -3.506 1.00 0.41 H new ATOM 261 N PRO A 565 0.469 -8.011 -3.240 1.00 0.35 N ATOM 262 CA PRO A 565 -0.702 -8.848 -3.557 1.00 0.39 C ATOM 263 C PRO A 565 -1.869 -8.057 -4.161 1.00 0.41 C ATOM 264 O PRO A 565 -2.704 -8.614 -4.867 1.00 0.49 O ATOM 265 CB PRO A 565 -1.104 -9.429 -2.187 1.00 0.44 C ATOM 266 CG PRO A 565 0.073 -9.188 -1.303 1.00 0.63 C ATOM 267 CD PRO A 565 0.672 -7.906 -1.791 1.00 0.39 C ATOM 0 HA PRO A 565 -0.461 -9.598 -4.310 1.00 0.39 H new ATOM 0 HB2 PRO A 565 -1.997 -8.939 -1.798 1.00 0.44 H new ATOM 0 HB3 PRO A 565 -1.331 -10.493 -2.261 1.00 0.44 H new ATOM 0 HG2 PRO A 565 -0.228 -9.110 -0.258 1.00 0.63 H new ATOM 0 HG3 PRO A 565 0.789 -10.007 -1.368 1.00 0.63 H new ATOM 0 HD2 PRO A 565 0.171 -7.034 -1.370 1.00 0.39 H new ATOM 0 HD3 PRO A 565 1.727 -7.823 -1.531 1.00 0.39 H new ATOM 275 N ILE A 566 -1.914 -6.755 -3.896 1.00 0.42 N ATOM 276 CA ILE A 566 -3.033 -5.927 -4.308 1.00 0.49 C ATOM 277 C ILE A 566 -3.054 -5.701 -5.825 1.00 0.45 C ATOM 278 O ILE A 566 -4.118 -5.669 -6.438 1.00 0.56 O ATOM 279 CB ILE A 566 -2.991 -4.580 -3.560 1.00 0.57 C ATOM 280 CG1 ILE A 566 -2.985 -4.830 -2.041 1.00 0.72 C ATOM 281 CG2 ILE A 566 -4.162 -3.703 -3.965 1.00 0.68 C ATOM 282 CD1 ILE A 566 -3.101 -3.576 -1.202 1.00 0.94 C ATOM 0 H ILE A 566 -1.182 -6.252 -3.395 1.00 0.42 H new ATOM 0 HA ILE A 566 -3.951 -6.455 -4.051 1.00 0.49 H new ATOM 0 HB ILE A 566 -2.076 -4.052 -3.830 1.00 0.57 H new ATOM 0 HG12 ILE A 566 -3.810 -5.497 -1.791 1.00 0.72 H new ATOM 0 HG13 ILE A 566 -2.064 -5.348 -1.774 1.00 0.72 H new ATOM 0 HG21 ILE A 566 -4.112 -2.758 -3.425 1.00 0.68 H new ATOM 0 HG22 ILE A 566 -4.119 -3.511 -5.037 1.00 0.68 H new ATOM 0 HG23 ILE A 566 -5.096 -4.210 -3.724 1.00 0.68 H new ATOM 0 HD11 ILE A 566 -3.089 -3.843 -0.145 1.00 0.94 H new ATOM 0 HD12 ILE A 566 -2.262 -2.914 -1.419 1.00 0.94 H new ATOM 0 HD13 ILE A 566 -4.035 -3.066 -1.437 1.00 0.94 H new ATOM 294 N CYS A 567 -1.883 -5.541 -6.431 1.00 0.40 N ATOM 295 CA CYS A 567 -1.805 -5.362 -7.881 1.00 0.43 C ATOM 296 C CYS A 567 -0.890 -6.402 -8.523 1.00 0.38 C ATOM 297 O CYS A 567 -0.650 -6.371 -9.728 1.00 0.45 O ATOM 298 CB CYS A 567 -1.370 -3.939 -8.239 1.00 0.59 C ATOM 299 SG CYS A 567 0.288 -3.474 -7.642 1.00 0.70 S ATOM 0 H CYS A 567 -0.983 -5.531 -5.950 1.00 0.40 H new ATOM 0 HA CYS A 567 -2.805 -5.514 -8.287 1.00 0.43 H new ATOM 0 HB2 CYS A 567 -1.395 -3.828 -9.323 1.00 0.59 H new ATOM 0 HB3 CYS A 567 -2.098 -3.238 -7.830 1.00 0.59 H new ATOM 0 HG CYS A 567 0.426 -3.853 -6.406 1.00 0.70 H new ATOM 304 N LYS A 568 -0.362 -7.303 -7.692 1.00 0.37 N ATOM 305 CA LYS A 568 0.395 -8.474 -8.149 1.00 0.44 C ATOM 306 C LYS A 568 1.757 -8.122 -8.751 1.00 0.49 C ATOM 307 O LYS A 568 2.350 -8.944 -9.448 1.00 0.62 O ATOM 308 CB LYS A 568 -0.421 -9.277 -9.166 1.00 0.55 C ATOM 309 CG LYS A 568 -1.769 -9.747 -8.642 1.00 1.14 C ATOM 310 CD LYS A 568 -2.583 -10.424 -9.733 1.00 1.37 C ATOM 311 CE LYS A 568 -1.920 -11.703 -10.215 1.00 2.17 C ATOM 312 NZ LYS A 568 -1.895 -12.741 -9.152 1.00 2.71 N ATOM 0 H LYS A 568 -0.447 -7.242 -6.677 1.00 0.37 H new ATOM 0 HA LYS A 568 0.584 -9.075 -7.259 1.00 0.44 H new ATOM 0 HB2 LYS A 568 -0.581 -8.665 -10.053 1.00 0.55 H new ATOM 0 HB3 LYS A 568 0.159 -10.145 -9.478 1.00 0.55 H new ATOM 0 HG2 LYS A 568 -1.618 -10.441 -7.815 1.00 1.14 H new ATOM 0 HG3 LYS A 568 -2.324 -8.896 -8.247 1.00 1.14 H new ATOM 0 HD2 LYS A 568 -3.580 -10.651 -9.356 1.00 1.37 H new ATOM 0 HD3 LYS A 568 -2.707 -9.740 -10.572 1.00 1.37 H new ATOM 0 HE2 LYS A 568 -2.455 -12.085 -11.085 1.00 2.17 H new ATOM 0 HE3 LYS A 568 -0.901 -11.486 -10.537 1.00 2.17 H new ATOM 0 HZ1 LYS A 568 -1.643 -13.659 -9.570 1.00 2.71 H new ATOM 0 HZ2 LYS A 568 -1.191 -12.483 -8.431 1.00 2.71 H new ATOM 0 HZ3 LYS A 568 -2.834 -12.808 -8.710 1.00 2.71 H new ATOM 326 N GLU A 569 2.272 -6.925 -8.482 1.00 0.48 N ATOM 327 CA GLU A 569 3.575 -6.550 -9.008 1.00 0.61 C ATOM 328 C GLU A 569 4.627 -6.522 -7.911 1.00 0.54 C ATOM 329 O GLU A 569 4.385 -6.024 -6.804 1.00 0.52 O ATOM 330 CB GLU A 569 3.501 -5.207 -9.733 1.00 0.83 C ATOM 331 CG GLU A 569 2.943 -5.331 -11.142 1.00 1.39 C ATOM 332 CD GLU A 569 3.821 -6.184 -12.043 1.00 2.55 C ATOM 333 OE1 GLU A 569 3.820 -7.422 -11.892 1.00 3.15 O ATOM 334 OE2 GLU A 569 4.518 -5.618 -12.912 1.00 3.34 O ATOM 0 H GLU A 569 1.815 -6.212 -7.913 1.00 0.48 H new ATOM 0 HA GLU A 569 3.875 -7.309 -9.731 1.00 0.61 H new ATOM 0 HB2 GLU A 569 2.877 -4.522 -9.158 1.00 0.83 H new ATOM 0 HB3 GLU A 569 4.498 -4.768 -9.779 1.00 0.83 H new ATOM 0 HG2 GLU A 569 1.944 -5.765 -11.097 1.00 1.39 H new ATOM 0 HG3 GLU A 569 2.839 -4.337 -11.577 1.00 1.39 H new ATOM 341 N THR A 570 5.787 -7.075 -8.233 1.00 0.68 N ATOM 342 CA THR A 570 6.899 -7.167 -7.309 1.00 0.68 C ATOM 343 C THR A 570 7.473 -5.783 -7.006 1.00 0.66 C ATOM 344 O THR A 570 7.823 -5.027 -7.912 1.00 0.82 O ATOM 345 CB THR A 570 7.997 -8.063 -7.905 1.00 0.89 C ATOM 346 OG1 THR A 570 7.429 -9.326 -8.277 1.00 1.01 O ATOM 347 CG2 THR A 570 9.128 -8.283 -6.909 1.00 0.95 C ATOM 0 H THR A 570 5.981 -7.475 -9.151 1.00 0.68 H new ATOM 0 HA THR A 570 6.536 -7.602 -6.378 1.00 0.68 H new ATOM 0 HB THR A 570 8.410 -7.566 -8.783 1.00 0.89 H new ATOM 0 HG1 THR A 570 8.127 -9.899 -8.659 1.00 1.01 H new ATOM 0 HG21 THR A 570 9.890 -8.920 -7.358 1.00 0.95 H new ATOM 0 HG22 THR A 570 9.570 -7.323 -6.642 1.00 0.95 H new ATOM 0 HG23 THR A 570 8.735 -8.764 -6.013 1.00 0.95 H new ATOM 355 N VAL A 571 7.554 -5.464 -5.725 1.00 0.55 N ATOM 356 CA VAL A 571 8.015 -4.161 -5.273 1.00 0.60 C ATOM 357 C VAL A 571 9.497 -4.201 -4.952 1.00 0.70 C ATOM 358 O VAL A 571 9.916 -4.929 -4.058 1.00 0.72 O ATOM 359 CB VAL A 571 7.272 -3.726 -3.999 1.00 0.59 C ATOM 360 CG1 VAL A 571 7.564 -2.270 -3.663 1.00 0.73 C ATOM 361 CG2 VAL A 571 5.781 -3.972 -4.138 1.00 0.63 C ATOM 0 H VAL A 571 7.302 -6.101 -4.969 1.00 0.55 H new ATOM 0 HA VAL A 571 7.820 -3.454 -6.079 1.00 0.60 H new ATOM 0 HB VAL A 571 7.637 -4.332 -3.170 1.00 0.59 H new ATOM 0 HG11 VAL A 571 7.025 -1.990 -2.758 1.00 0.73 H new ATOM 0 HG12 VAL A 571 8.634 -2.141 -3.503 1.00 0.73 H new ATOM 0 HG13 VAL A 571 7.242 -1.635 -4.488 1.00 0.73 H new ATOM 0 HG21 VAL A 571 5.274 -3.657 -3.226 1.00 0.63 H new ATOM 0 HG22 VAL A 571 5.395 -3.401 -4.983 1.00 0.63 H new ATOM 0 HG23 VAL A 571 5.601 -5.034 -4.305 1.00 0.63 H new ATOM 371 N THR A 572 10.276 -3.426 -5.677 1.00 0.95 N ATOM 372 CA THR A 572 11.701 -3.321 -5.418 1.00 1.07 C ATOM 373 C THR A 572 12.015 -1.949 -4.831 1.00 1.19 C ATOM 374 O THR A 572 11.234 -1.009 -5.002 1.00 1.59 O ATOM 375 CB THR A 572 12.530 -3.562 -6.699 1.00 1.52 C ATOM 376 OG1 THR A 572 12.048 -2.748 -7.780 1.00 1.89 O ATOM 377 CG2 THR A 572 12.474 -5.025 -7.107 1.00 1.74 C ATOM 0 H THR A 572 9.946 -2.855 -6.455 1.00 0.95 H new ATOM 0 HA THR A 572 11.976 -4.094 -4.701 1.00 1.07 H new ATOM 0 HB THR A 572 13.563 -3.289 -6.481 1.00 1.52 H new ATOM 0 HG1 THR A 572 12.588 -2.915 -8.581 1.00 1.89 H new ATOM 0 HG21 THR A 572 13.064 -5.173 -8.011 1.00 1.74 H new ATOM 0 HG22 THR A 572 12.878 -5.642 -6.305 1.00 1.74 H new ATOM 0 HG23 THR A 572 11.439 -5.310 -7.298 1.00 1.74 H new ATOM 385 N GLY A 573 13.146 -1.829 -4.143 1.00 1.22 N ATOM 386 CA GLY A 573 13.489 -0.574 -3.519 1.00 1.36 C ATOM 387 C GLY A 573 14.893 -0.146 -3.859 1.00 1.72 C ATOM 388 O GLY A 573 15.736 -0.971 -4.213 1.00 2.20 O ATOM 0 H GLY A 573 13.826 -2.578 -4.009 1.00 1.22 H new ATOM 0 HA2 GLY A 573 12.787 0.195 -3.840 1.00 1.36 H new ATOM 0 HA3 GLY A 573 13.389 -0.666 -2.438 1.00 1.36 H new ATOM 392 N VAL A 574 15.140 1.149 -3.764 1.00 1.77 N ATOM 393 CA VAL A 574 16.400 1.717 -4.195 1.00 2.23 C ATOM 394 C VAL A 574 17.167 2.263 -3.000 1.00 2.02 C ATOM 395 O VAL A 574 16.574 2.671 -2.004 1.00 1.69 O ATOM 396 CB VAL A 574 16.173 2.852 -5.222 1.00 2.72 C ATOM 397 CG1 VAL A 574 17.493 3.302 -5.836 1.00 3.24 C ATOM 398 CG2 VAL A 574 15.195 2.417 -6.303 1.00 2.97 C ATOM 0 H VAL A 574 14.478 1.829 -3.389 1.00 1.77 H new ATOM 0 HA VAL A 574 16.980 0.925 -4.669 1.00 2.23 H new ATOM 0 HB VAL A 574 15.739 3.701 -4.694 1.00 2.72 H new ATOM 0 HG11 VAL A 574 17.307 4.100 -6.554 1.00 3.24 H new ATOM 0 HG12 VAL A 574 18.154 3.668 -5.050 1.00 3.24 H new ATOM 0 HG13 VAL A 574 17.964 2.460 -6.343 1.00 3.24 H new ATOM 0 HG21 VAL A 574 15.052 3.231 -7.013 1.00 2.97 H new ATOM 0 HG22 VAL A 574 15.593 1.547 -6.825 1.00 2.97 H new ATOM 0 HG23 VAL A 574 14.239 2.161 -5.847 1.00 2.97 H new ATOM 408 N TYR A 575 18.482 2.237 -3.094 1.00 2.33 N ATOM 409 CA TYR A 575 19.332 2.833 -2.084 1.00 2.23 C ATOM 410 C TYR A 575 19.411 4.332 -2.316 1.00 2.39 C ATOM 411 O TYR A 575 19.770 4.776 -3.409 1.00 2.82 O ATOM 412 CB TYR A 575 20.734 2.222 -2.147 1.00 2.60 C ATOM 413 CG TYR A 575 21.713 2.834 -1.171 1.00 2.58 C ATOM 414 CD1 TYR A 575 22.900 3.400 -1.615 1.00 2.96 C ATOM 415 CD2 TYR A 575 21.445 2.851 0.193 1.00 2.65 C ATOM 416 CE1 TYR A 575 23.794 3.967 -0.727 1.00 3.02 C ATOM 417 CE2 TYR A 575 22.334 3.416 1.087 1.00 2.73 C ATOM 418 CZ TYR A 575 23.522 3.944 0.624 1.00 2.73 C ATOM 419 OH TYR A 575 24.392 4.531 1.513 1.00 2.89 O ATOM 0 H TYR A 575 18.988 1.805 -3.867 1.00 2.33 H new ATOM 0 HA TYR A 575 18.910 2.638 -1.098 1.00 2.23 H new ATOM 0 HB2 TYR A 575 20.662 1.152 -1.952 1.00 2.60 H new ATOM 0 HB3 TYR A 575 21.124 2.336 -3.158 1.00 2.60 H new ATOM 0 HD1 TYR A 575 23.128 3.397 -2.671 1.00 2.96 H new ATOM 0 HD2 TYR A 575 20.527 2.416 0.560 1.00 2.65 H new ATOM 0 HE1 TYR A 575 24.702 4.426 -1.090 1.00 3.02 H new ATOM 0 HE2 TYR A 575 22.101 3.444 2.141 1.00 2.73 H new ATOM 0 HH TYR A 575 24.847 5.282 1.078 1.00 2.89 H new ATOM 429 N ASP A 576 19.059 5.108 -1.308 1.00 2.18 N ATOM 430 CA ASP A 576 19.192 6.550 -1.402 1.00 2.47 C ATOM 431 C ASP A 576 20.558 6.940 -0.878 1.00 2.58 C ATOM 432 O ASP A 576 20.810 6.908 0.328 1.00 2.48 O ATOM 433 CB ASP A 576 18.095 7.269 -0.616 1.00 2.55 C ATOM 434 CG ASP A 576 18.127 8.769 -0.839 1.00 2.97 C ATOM 435 OD1 ASP A 576 17.548 9.239 -1.842 1.00 3.34 O ATOM 436 OD2 ASP A 576 18.730 9.486 -0.014 1.00 3.31 O ATOM 0 H ASP A 576 18.682 4.769 -0.423 1.00 2.18 H new ATOM 0 HA ASP A 576 19.087 6.850 -2.445 1.00 2.47 H new ATOM 0 HB2 ASP A 576 17.121 6.879 -0.913 1.00 2.55 H new ATOM 0 HB3 ASP A 576 18.213 7.058 0.447 1.00 2.55 H new ATOM 441 N GLU A 577 21.441 7.283 -1.799 1.00 3.04 N ATOM 442 CA GLU A 577 22.850 7.492 -1.496 1.00 3.38 C ATOM 443 C GLU A 577 23.071 8.714 -0.607 1.00 3.38 C ATOM 444 O GLU A 577 24.049 8.777 0.139 1.00 3.60 O ATOM 445 CB GLU A 577 23.628 7.631 -2.803 1.00 4.06 C ATOM 446 CG GLU A 577 23.512 6.400 -3.690 1.00 4.31 C ATOM 447 CD GLU A 577 24.039 6.626 -5.090 1.00 5.14 C ATOM 448 OE1 GLU A 577 23.234 6.667 -6.041 1.00 5.59 O ATOM 449 OE2 GLU A 577 25.264 6.779 -5.247 1.00 5.47 O ATOM 0 H GLU A 577 21.203 7.425 -2.781 1.00 3.04 H new ATOM 0 HA GLU A 577 23.212 6.628 -0.939 1.00 3.38 H new ATOM 0 HB2 GLU A 577 23.263 8.502 -3.348 1.00 4.06 H new ATOM 0 HB3 GLU A 577 24.679 7.814 -2.578 1.00 4.06 H new ATOM 0 HG2 GLU A 577 24.058 5.576 -3.231 1.00 4.31 H new ATOM 0 HG3 GLU A 577 22.466 6.097 -3.746 1.00 4.31 H new ATOM 456 N GLU A 578 22.164 9.677 -0.688 1.00 3.37 N ATOM 457 CA GLU A 578 22.264 10.895 0.095 1.00 3.52 C ATOM 458 C GLU A 578 21.894 10.649 1.555 1.00 3.20 C ATOM 459 O GLU A 578 22.610 11.072 2.459 1.00 3.42 O ATOM 460 CB GLU A 578 21.385 12.000 -0.509 1.00 3.97 C ATOM 461 CG GLU A 578 21.880 12.512 -1.860 1.00 4.38 C ATOM 462 CD GLU A 578 21.321 11.752 -3.052 1.00 4.75 C ATOM 463 OE1 GLU A 578 21.055 10.539 -2.908 1.00 5.11 O ATOM 464 OE2 GLU A 578 21.150 12.347 -4.135 1.00 5.00 O ATOM 0 H GLU A 578 21.345 9.635 -1.294 1.00 3.37 H new ATOM 0 HA GLU A 578 23.302 11.225 0.067 1.00 3.52 H new ATOM 0 HB2 GLU A 578 20.370 11.621 -0.624 1.00 3.97 H new ATOM 0 HB3 GLU A 578 21.336 12.835 0.190 1.00 3.97 H new ATOM 0 HG2 GLU A 578 21.615 13.565 -1.957 1.00 4.38 H new ATOM 0 HG3 GLU A 578 22.968 12.453 -1.883 1.00 4.38 H new ATOM 471 N SER A 579 20.788 9.960 1.793 1.00 2.95 N ATOM 472 CA SER A 579 20.358 9.692 3.162 1.00 2.96 C ATOM 473 C SER A 579 21.077 8.476 3.741 1.00 2.69 C ATOM 474 O SER A 579 21.174 8.315 4.959 1.00 3.05 O ATOM 475 CB SER A 579 18.842 9.502 3.225 1.00 3.28 C ATOM 476 OG SER A 579 18.427 8.443 2.387 1.00 3.06 O ATOM 0 H SER A 579 20.178 9.580 1.069 1.00 2.95 H new ATOM 0 HA SER A 579 20.623 10.557 3.769 1.00 2.96 H new ATOM 0 HB2 SER A 579 18.540 9.297 4.252 1.00 3.28 H new ATOM 0 HB3 SER A 579 18.344 10.424 2.925 1.00 3.28 H new ATOM 0 HG SER A 579 18.130 8.804 1.526 1.00 3.06 H new ATOM 482 N GLY A 580 21.595 7.633 2.855 1.00 2.44 N ATOM 483 CA GLY A 580 22.340 6.465 3.280 1.00 2.53 C ATOM 484 C GLY A 580 21.445 5.317 3.698 1.00 2.23 C ATOM 485 O GLY A 580 21.878 4.414 4.410 1.00 2.60 O ATOM 0 H GLY A 580 21.511 7.740 1.844 1.00 2.44 H new ATOM 0 HA2 GLY A 580 22.987 6.137 2.467 1.00 2.53 H new ATOM 0 HA3 GLY A 580 22.988 6.737 4.113 1.00 2.53 H new ATOM 489 N GLU A 581 20.198 5.344 3.246 1.00 1.75 N ATOM 490 CA GLU A 581 19.234 4.311 3.597 1.00 1.60 C ATOM 491 C GLU A 581 18.538 3.776 2.351 1.00 1.23 C ATOM 492 O GLU A 581 18.356 4.497 1.369 1.00 1.22 O ATOM 493 CB GLU A 581 18.200 4.875 4.579 1.00 1.80 C ATOM 494 CG GLU A 581 18.805 5.318 5.900 1.00 2.30 C ATOM 495 CD GLU A 581 17.795 5.964 6.823 1.00 2.67 C ATOM 496 OE1 GLU A 581 17.558 7.182 6.688 1.00 3.19 O ATOM 497 OE2 GLU A 581 17.249 5.263 7.701 1.00 2.99 O ATOM 0 H GLU A 581 19.830 6.072 2.634 1.00 1.75 H new ATOM 0 HA GLU A 581 19.766 3.487 4.072 1.00 1.60 H new ATOM 0 HB2 GLU A 581 17.695 5.723 4.116 1.00 1.80 H new ATOM 0 HB3 GLU A 581 17.441 4.117 4.771 1.00 1.80 H new ATOM 0 HG2 GLU A 581 19.246 4.455 6.399 1.00 2.30 H new ATOM 0 HG3 GLU A 581 19.614 6.022 5.705 1.00 2.30 H new ATOM 504 N TRP A 582 18.180 2.503 2.388 1.00 1.16 N ATOM 505 CA TRP A 582 17.399 1.894 1.322 1.00 0.93 C ATOM 506 C TRP A 582 15.939 2.273 1.490 1.00 0.75 C ATOM 507 O TRP A 582 15.405 2.215 2.595 1.00 0.89 O ATOM 508 CB TRP A 582 17.533 0.375 1.344 1.00 1.06 C ATOM 509 CG TRP A 582 18.915 -0.132 1.055 1.00 1.34 C ATOM 510 CD1 TRP A 582 19.952 -0.249 1.935 1.00 1.59 C ATOM 511 CD2 TRP A 582 19.396 -0.614 -0.200 1.00 1.55 C ATOM 512 NE1 TRP A 582 21.056 -0.765 1.297 1.00 1.86 N ATOM 513 CE2 TRP A 582 20.739 -0.998 -0.016 1.00 1.87 C ATOM 514 CE3 TRP A 582 18.822 -0.752 -1.466 1.00 1.62 C ATOM 515 CZ2 TRP A 582 21.511 -1.518 -1.053 1.00 2.21 C ATOM 516 CZ3 TRP A 582 19.588 -1.265 -2.493 1.00 2.03 C ATOM 517 CH2 TRP A 582 20.922 -1.642 -2.284 1.00 2.30 C ATOM 0 H TRP A 582 18.419 1.867 3.149 1.00 1.16 H new ATOM 0 HA TRP A 582 17.775 2.259 0.366 1.00 0.93 H new ATOM 0 HB2 TRP A 582 17.223 0.010 2.323 1.00 1.06 H new ATOM 0 HB3 TRP A 582 16.844 -0.048 0.613 1.00 1.06 H new ATOM 0 HD1 TRP A 582 19.912 0.024 2.979 1.00 1.59 H new ATOM 0 HE1 TRP A 582 21.962 -0.945 1.730 1.00 1.86 H new ATOM 0 HE3 TRP A 582 17.796 -0.462 -1.638 1.00 1.62 H new ATOM 0 HZ2 TRP A 582 22.537 -1.813 -0.892 1.00 2.21 H new ATOM 0 HZ3 TRP A 582 19.152 -1.378 -3.475 1.00 2.03 H new ATOM 0 HH2 TRP A 582 21.496 -2.038 -3.109 1.00 2.30 H new ATOM 528 N VAL A 583 15.290 2.650 0.408 1.00 0.62 N ATOM 529 CA VAL A 583 13.943 3.180 0.505 1.00 0.59 C ATOM 530 C VAL A 583 12.895 2.270 -0.139 1.00 0.48 C ATOM 531 O VAL A 583 13.051 1.811 -1.275 1.00 0.59 O ATOM 532 CB VAL A 583 13.845 4.585 -0.130 1.00 0.84 C ATOM 533 CG1 VAL A 583 14.800 5.557 0.545 1.00 1.11 C ATOM 534 CG2 VAL A 583 14.112 4.528 -1.627 1.00 0.98 C ATOM 0 H VAL A 583 15.666 2.601 -0.539 1.00 0.62 H new ATOM 0 HA VAL A 583 13.729 3.240 1.572 1.00 0.59 H new ATOM 0 HB VAL A 583 12.828 4.946 0.021 1.00 0.84 H new ATOM 0 HG11 VAL A 583 14.710 6.538 0.079 1.00 1.11 H new ATOM 0 HG12 VAL A 583 14.552 5.635 1.604 1.00 1.11 H new ATOM 0 HG13 VAL A 583 15.823 5.196 0.437 1.00 1.11 H new ATOM 0 HG21 VAL A 583 14.037 5.530 -2.048 1.00 0.98 H new ATOM 0 HG22 VAL A 583 15.113 4.135 -1.803 1.00 0.98 H new ATOM 0 HG23 VAL A 583 13.378 3.878 -2.103 1.00 0.98 H new ATOM 544 N TRP A 584 11.848 1.988 0.623 1.00 0.50 N ATOM 545 CA TRP A 584 10.610 1.454 0.078 1.00 0.57 C ATOM 546 C TRP A 584 9.548 2.540 0.166 1.00 0.52 C ATOM 547 O TRP A 584 9.002 2.802 1.238 1.00 0.64 O ATOM 548 CB TRP A 584 10.148 0.207 0.845 1.00 0.78 C ATOM 549 CG TRP A 584 10.839 -1.059 0.433 1.00 0.84 C ATOM 550 CD1 TRP A 584 11.759 -1.201 -0.557 1.00 0.62 C ATOM 551 CD2 TRP A 584 10.646 -2.367 0.987 1.00 1.31 C ATOM 552 NE1 TRP A 584 12.157 -2.510 -0.658 1.00 0.74 N ATOM 553 CE2 TRP A 584 11.484 -3.249 0.275 1.00 1.20 C ATOM 554 CE3 TRP A 584 9.842 -2.880 2.005 1.00 1.87 C ATOM 555 CZ2 TRP A 584 11.551 -4.610 0.563 1.00 1.60 C ATOM 556 CZ3 TRP A 584 9.905 -4.232 2.288 1.00 2.29 C ATOM 557 CH2 TRP A 584 10.750 -5.085 1.562 1.00 2.14 C ATOM 0 H TRP A 584 11.833 2.123 1.634 1.00 0.50 H new ATOM 0 HA TRP A 584 10.774 1.156 -0.957 1.00 0.57 H new ATOM 0 HB2 TRP A 584 10.313 0.368 1.910 1.00 0.78 H new ATOM 0 HB3 TRP A 584 9.074 0.084 0.704 1.00 0.78 H new ATOM 0 HD1 TRP A 584 12.125 -0.396 -1.177 1.00 0.62 H new ATOM 0 HE1 TRP A 584 12.843 -2.873 -1.321 1.00 0.74 H new ATOM 0 HE3 TRP A 584 9.182 -2.232 2.563 1.00 1.87 H new ATOM 0 HZ2 TRP A 584 12.212 -5.266 0.016 1.00 1.60 H new ATOM 0 HZ3 TRP A 584 9.294 -4.638 3.081 1.00 2.29 H new ATOM 0 HH2 TRP A 584 10.767 -6.139 1.798 1.00 2.14 H new ATOM 568 N LYS A 585 9.266 3.184 -0.954 1.00 0.51 N ATOM 569 CA LYS A 585 8.374 4.332 -0.961 1.00 0.51 C ATOM 570 C LYS A 585 6.949 3.890 -1.280 1.00 0.45 C ATOM 571 O LYS A 585 6.750 2.885 -1.961 1.00 0.57 O ATOM 572 CB LYS A 585 8.884 5.385 -1.954 1.00 0.73 C ATOM 573 CG LYS A 585 8.864 4.950 -3.412 1.00 1.56 C ATOM 574 CD LYS A 585 7.651 5.514 -4.116 1.00 2.54 C ATOM 575 CE LYS A 585 7.608 5.118 -5.582 1.00 3.48 C ATOM 576 NZ LYS A 585 6.600 5.911 -6.334 1.00 3.95 N ATOM 0 H LYS A 585 9.641 2.932 -1.869 1.00 0.51 H new ATOM 0 HA LYS A 585 8.360 4.789 0.028 1.00 0.51 H new ATOM 0 HB2 LYS A 585 8.279 6.285 -1.850 1.00 0.73 H new ATOM 0 HB3 LYS A 585 9.905 5.654 -1.684 1.00 0.73 H new ATOM 0 HG2 LYS A 585 9.772 5.289 -3.911 1.00 1.56 H new ATOM 0 HG3 LYS A 585 8.854 3.862 -3.473 1.00 1.56 H new ATOM 0 HD2 LYS A 585 6.747 5.162 -3.619 1.00 2.54 H new ATOM 0 HD3 LYS A 585 7.657 6.601 -4.034 1.00 2.54 H new ATOM 0 HE2 LYS A 585 8.592 5.263 -6.028 1.00 3.48 H new ATOM 0 HE3 LYS A 585 7.373 4.057 -5.666 1.00 3.48 H new ATOM 0 HZ1 LYS A 585 6.598 5.614 -7.331 1.00 3.95 H new ATOM 0 HZ2 LYS A 585 5.657 5.753 -5.924 1.00 3.95 H new ATOM 0 HZ3 LYS A 585 6.838 6.922 -6.274 1.00 3.95 H new ATOM 590 N ASN A 586 5.971 4.638 -0.773 1.00 0.48 N ATOM 591 CA ASN A 586 4.557 4.254 -0.876 1.00 0.51 C ATOM 592 C ASN A 586 4.357 2.870 -0.281 1.00 0.39 C ATOM 593 O ASN A 586 3.639 2.038 -0.831 1.00 0.46 O ATOM 594 CB ASN A 586 4.064 4.275 -2.330 1.00 0.68 C ATOM 595 CG ASN A 586 4.163 5.645 -2.967 1.00 0.92 C ATOM 596 OD1 ASN A 586 5.031 6.445 -2.627 1.00 1.43 O ATOM 597 ND2 ASN A 586 3.277 5.918 -3.904 1.00 1.29 N ATOM 0 H ASN A 586 6.129 5.519 -0.284 1.00 0.48 H new ATOM 0 HA ASN A 586 3.971 4.984 -0.318 1.00 0.51 H new ATOM 0 HB2 ASN A 586 4.647 3.565 -2.916 1.00 0.68 H new ATOM 0 HB3 ASN A 586 3.027 3.939 -2.362 1.00 0.68 H new ATOM 0 HD21 ASN A 586 3.296 6.822 -4.376 1.00 1.29 H new ATOM 0 HD22 ASN A 586 2.572 5.225 -4.157 1.00 1.29 H new ATOM 604 N THR A 587 5.003 2.641 0.852 1.00 0.33 N ATOM 605 CA THR A 587 4.950 1.353 1.526 1.00 0.32 C ATOM 606 C THR A 587 4.470 1.524 2.967 1.00 0.30 C ATOM 607 O THR A 587 4.812 2.503 3.632 1.00 0.40 O ATOM 608 CB THR A 587 6.340 0.675 1.517 1.00 0.48 C ATOM 609 OG1 THR A 587 6.846 0.621 0.177 1.00 0.65 O ATOM 610 CG2 THR A 587 6.280 -0.737 2.090 1.00 0.56 C ATOM 0 H THR A 587 5.576 3.338 1.328 1.00 0.33 H new ATOM 0 HA THR A 587 4.245 0.719 0.989 1.00 0.32 H new ATOM 0 HB THR A 587 7.003 1.270 2.144 1.00 0.48 H new ATOM 0 HG1 THR A 587 7.117 -0.297 -0.034 1.00 0.65 H new ATOM 0 HG21 THR A 587 7.275 -1.181 2.067 1.00 0.56 H new ATOM 0 HG22 THR A 587 5.924 -0.697 3.119 1.00 0.56 H new ATOM 0 HG23 THR A 587 5.598 -1.343 1.493 1.00 0.56 H new ATOM 618 N ILE A 588 3.658 0.586 3.429 1.00 0.29 N ATOM 619 CA ILE A 588 3.163 0.603 4.796 1.00 0.30 C ATOM 620 C ILE A 588 3.154 -0.816 5.363 1.00 0.29 C ATOM 621 O ILE A 588 2.970 -1.787 4.627 1.00 0.32 O ATOM 622 CB ILE A 588 1.737 1.211 4.878 1.00 0.34 C ATOM 623 CG1 ILE A 588 1.303 1.379 6.340 1.00 0.65 C ATOM 624 CG2 ILE A 588 0.739 0.346 4.117 1.00 0.71 C ATOM 625 CD1 ILE A 588 -0.043 2.058 6.502 1.00 0.70 C ATOM 0 H ILE A 588 3.326 -0.202 2.873 1.00 0.29 H new ATOM 0 HA ILE A 588 3.831 1.230 5.386 1.00 0.30 H new ATOM 0 HB ILE A 588 1.759 2.197 4.413 1.00 0.34 H new ATOM 0 HG12 ILE A 588 1.264 0.398 6.813 1.00 0.65 H new ATOM 0 HG13 ILE A 588 2.059 1.959 6.870 1.00 0.65 H new ATOM 0 HG21 ILE A 588 -0.254 0.789 4.187 1.00 0.71 H new ATOM 0 HG22 ILE A 588 1.036 0.284 3.070 1.00 0.71 H new ATOM 0 HG23 ILE A 588 0.721 -0.654 4.549 1.00 0.71 H new ATOM 0 HD11 ILE A 588 -0.283 2.142 7.562 1.00 0.70 H new ATOM 0 HD12 ILE A 588 -0.004 3.053 6.059 1.00 0.70 H new ATOM 0 HD13 ILE A 588 -0.811 1.468 6.002 1.00 0.70 H new ATOM 637 N GLU A 589 3.376 -0.937 6.662 1.00 0.32 N ATOM 638 CA GLU A 589 3.318 -2.232 7.315 1.00 0.31 C ATOM 639 C GLU A 589 1.983 -2.381 8.026 1.00 0.34 C ATOM 640 O GLU A 589 1.639 -1.583 8.903 1.00 0.45 O ATOM 641 CB GLU A 589 4.491 -2.407 8.291 1.00 0.42 C ATOM 642 CG GLU A 589 4.510 -3.748 9.022 1.00 0.48 C ATOM 643 CD GLU A 589 3.767 -3.706 10.343 1.00 0.79 C ATOM 644 OE1 GLU A 589 2.652 -4.262 10.432 1.00 1.35 O ATOM 645 OE2 GLU A 589 4.295 -3.099 11.299 1.00 1.25 O ATOM 0 H GLU A 589 3.597 -0.157 7.281 1.00 0.32 H new ATOM 0 HA GLU A 589 3.404 -3.016 6.562 1.00 0.31 H new ATOM 0 HB2 GLU A 589 5.425 -2.294 7.741 1.00 0.42 H new ATOM 0 HB3 GLU A 589 4.456 -1.605 9.029 1.00 0.42 H new ATOM 0 HG2 GLU A 589 4.065 -4.511 8.384 1.00 0.48 H new ATOM 0 HG3 GLU A 589 5.543 -4.045 9.201 1.00 0.48 H new ATOM 652 N VAL A 590 1.225 -3.381 7.612 1.00 0.33 N ATOM 653 CA VAL A 590 -0.072 -3.674 8.200 1.00 0.43 C ATOM 654 C VAL A 590 -0.153 -5.156 8.532 1.00 0.43 C ATOM 655 O VAL A 590 0.121 -6.003 7.679 1.00 0.44 O ATOM 656 CB VAL A 590 -1.234 -3.303 7.249 1.00 0.55 C ATOM 657 CG1 VAL A 590 -2.580 -3.597 7.903 1.00 0.65 C ATOM 658 CG2 VAL A 590 -1.145 -1.842 6.832 1.00 0.64 C ATOM 0 H VAL A 590 1.491 -4.014 6.858 1.00 0.33 H new ATOM 0 HA VAL A 590 -0.171 -3.073 9.104 1.00 0.43 H new ATOM 0 HB VAL A 590 -1.149 -3.917 6.353 1.00 0.55 H new ATOM 0 HG11 VAL A 590 -3.384 -3.329 7.217 1.00 0.65 H new ATOM 0 HG12 VAL A 590 -2.645 -4.659 8.141 1.00 0.65 H new ATOM 0 HG13 VAL A 590 -2.675 -3.014 8.819 1.00 0.65 H new ATOM 0 HG21 VAL A 590 -1.972 -1.603 6.163 1.00 0.64 H new ATOM 0 HG22 VAL A 590 -1.199 -1.207 7.716 1.00 0.64 H new ATOM 0 HG23 VAL A 590 -0.200 -1.668 6.317 1.00 0.64 H new ATOM 668 N ASN A 591 -0.503 -5.456 9.780 1.00 0.51 N ATOM 669 CA ASN A 591 -0.645 -6.835 10.251 1.00 0.58 C ATOM 670 C ASN A 591 0.678 -7.597 10.082 1.00 0.52 C ATOM 671 O ASN A 591 0.701 -8.804 9.828 1.00 0.60 O ATOM 672 CB ASN A 591 -1.792 -7.535 9.497 1.00 0.69 C ATOM 673 CG ASN A 591 -2.263 -8.820 10.164 1.00 1.16 C ATOM 674 OD1 ASN A 591 -1.828 -9.919 9.817 1.00 2.03 O ATOM 675 ND2 ASN A 591 -3.161 -8.693 11.130 1.00 1.55 N ATOM 0 H ASN A 591 -0.696 -4.753 10.494 1.00 0.51 H new ATOM 0 HA ASN A 591 -0.892 -6.825 11.313 1.00 0.58 H new ATOM 0 HB2 ASN A 591 -2.634 -6.848 9.415 1.00 0.69 H new ATOM 0 HB3 ASN A 591 -1.464 -7.761 8.482 1.00 0.69 H new ATOM 0 HD21 ASN A 591 -3.513 -9.521 11.611 1.00 1.55 H new ATOM 0 HD22 ASN A 591 -3.500 -7.768 11.393 1.00 1.55 H new ATOM 682 N GLY A 592 1.786 -6.875 10.235 1.00 0.49 N ATOM 683 CA GLY A 592 3.097 -7.492 10.190 1.00 0.54 C ATOM 684 C GLY A 592 3.640 -7.648 8.779 1.00 0.51 C ATOM 685 O GLY A 592 4.742 -8.165 8.589 1.00 0.62 O ATOM 0 H GLY A 592 1.796 -5.867 10.390 1.00 0.49 H new ATOM 0 HA2 GLY A 592 3.794 -6.892 10.776 1.00 0.54 H new ATOM 0 HA3 GLY A 592 3.046 -8.473 10.663 1.00 0.54 H new ATOM 689 N LYS A 593 2.879 -7.200 7.786 1.00 0.42 N ATOM 690 CA LYS A 593 3.290 -7.334 6.392 1.00 0.46 C ATOM 691 C LYS A 593 3.379 -5.982 5.706 1.00 0.36 C ATOM 692 O LYS A 593 2.635 -5.058 6.027 1.00 0.33 O ATOM 693 CB LYS A 593 2.328 -8.244 5.622 1.00 0.61 C ATOM 694 CG LYS A 593 2.456 -9.714 5.985 1.00 0.82 C ATOM 695 CD LYS A 593 3.793 -10.289 5.527 1.00 1.48 C ATOM 696 CE LYS A 593 3.901 -11.776 5.826 1.00 2.13 C ATOM 697 NZ LYS A 593 3.931 -12.046 7.287 1.00 2.78 N ATOM 0 H LYS A 593 1.977 -6.742 7.919 1.00 0.42 H new ATOM 0 HA LYS A 593 4.282 -7.786 6.391 1.00 0.46 H new ATOM 0 HB2 LYS A 593 1.305 -7.920 5.812 1.00 0.61 H new ATOM 0 HB3 LYS A 593 2.507 -8.126 4.553 1.00 0.61 H new ATOM 0 HG2 LYS A 593 2.358 -9.833 7.064 1.00 0.82 H new ATOM 0 HG3 LYS A 593 1.641 -10.275 5.527 1.00 0.82 H new ATOM 0 HD2 LYS A 593 3.912 -10.124 4.456 1.00 1.48 H new ATOM 0 HD3 LYS A 593 4.606 -9.759 6.023 1.00 1.48 H new ATOM 0 HE2 LYS A 593 3.056 -12.299 5.377 1.00 2.13 H new ATOM 0 HE3 LYS A 593 4.804 -12.175 5.364 1.00 2.13 H new ATOM 0 HZ1 LYS A 593 4.124 -13.055 7.450 1.00 2.78 H new ATOM 0 HZ2 LYS A 593 4.678 -11.475 7.730 1.00 2.78 H new ATOM 0 HZ3 LYS A 593 3.012 -11.798 7.705 1.00 2.78 H new ATOM 711 N TYR A 594 4.302 -5.880 4.761 1.00 0.43 N ATOM 712 CA TYR A 594 4.500 -4.652 4.011 1.00 0.40 C ATOM 713 C TYR A 594 3.683 -4.671 2.730 1.00 0.39 C ATOM 714 O TYR A 594 3.671 -5.659 1.999 1.00 0.48 O ATOM 715 CB TYR A 594 5.981 -4.451 3.680 1.00 0.53 C ATOM 716 CG TYR A 594 6.855 -4.320 4.904 1.00 0.63 C ATOM 717 CD1 TYR A 594 7.570 -5.408 5.387 1.00 1.35 C ATOM 718 CD2 TYR A 594 6.965 -3.110 5.575 1.00 1.37 C ATOM 719 CE1 TYR A 594 8.375 -5.290 6.502 1.00 1.44 C ATOM 720 CE2 TYR A 594 7.769 -2.984 6.690 1.00 1.45 C ATOM 721 CZ TYR A 594 8.456 -4.086 7.163 1.00 0.92 C ATOM 722 OH TYR A 594 9.270 -3.948 8.265 1.00 1.09 O ATOM 0 H TYR A 594 4.929 -6.640 4.495 1.00 0.43 H new ATOM 0 HA TYR A 594 4.164 -3.821 4.632 1.00 0.40 H new ATOM 0 HB2 TYR A 594 6.330 -5.293 3.082 1.00 0.53 H new ATOM 0 HB3 TYR A 594 6.091 -3.557 3.067 1.00 0.53 H new ATOM 0 HD1 TYR A 594 7.495 -6.360 4.883 1.00 1.35 H new ATOM 0 HD2 TYR A 594 6.413 -2.253 5.219 1.00 1.37 H new ATOM 0 HE1 TYR A 594 8.940 -6.140 6.855 1.00 1.44 H new ATOM 0 HE2 TYR A 594 7.861 -2.031 7.189 1.00 1.45 H new ATOM 0 HH TYR A 594 9.206 -3.032 8.606 1.00 1.09 H new ATOM 732 N PHE A 595 2.988 -3.575 2.488 1.00 0.34 N ATOM 733 CA PHE A 595 2.190 -3.396 1.282 1.00 0.36 C ATOM 734 C PHE A 595 2.419 -1.995 0.749 1.00 0.34 C ATOM 735 O PHE A 595 2.907 -1.129 1.475 1.00 0.37 O ATOM 736 CB PHE A 595 0.689 -3.547 1.586 1.00 0.42 C ATOM 737 CG PHE A 595 0.256 -4.894 2.086 1.00 0.44 C ATOM 738 CD1 PHE A 595 0.335 -5.201 3.432 1.00 1.30 C ATOM 739 CD2 PHE A 595 -0.206 -5.860 1.209 1.00 1.25 C ATOM 740 CE1 PHE A 595 -0.045 -6.445 3.897 1.00 1.32 C ATOM 741 CE2 PHE A 595 -0.590 -7.105 1.669 1.00 1.31 C ATOM 742 CZ PHE A 595 -0.585 -7.377 3.008 1.00 0.62 C ATOM 0 H PHE A 595 2.959 -2.778 3.124 1.00 0.34 H new ATOM 0 HA PHE A 595 2.488 -4.153 0.557 1.00 0.36 H new ATOM 0 HB2 PHE A 595 0.411 -2.798 2.328 1.00 0.42 H new ATOM 0 HB3 PHE A 595 0.129 -3.320 0.679 1.00 0.42 H new ATOM 0 HD1 PHE A 595 0.698 -4.459 4.128 1.00 1.30 H new ATOM 0 HD2 PHE A 595 -0.267 -5.638 0.154 1.00 1.25 H new ATOM 0 HE1 PHE A 595 0.075 -6.695 4.941 1.00 1.32 H new ATOM 0 HE2 PHE A 595 -0.896 -7.867 0.967 1.00 1.31 H new ATOM 0 HZ PHE A 595 -0.996 -8.306 3.376 1.00 0.62 H new ATOM 752 N HIS A 596 2.073 -1.755 -0.508 1.00 0.35 N ATOM 753 CA HIS A 596 2.007 -0.385 -0.980 1.00 0.33 C ATOM 754 C HIS A 596 0.865 0.300 -0.253 1.00 0.31 C ATOM 755 O HIS A 596 -0.272 -0.170 -0.307 1.00 0.38 O ATOM 756 CB HIS A 596 1.729 -0.307 -2.489 1.00 0.39 C ATOM 757 CG HIS A 596 2.884 -0.630 -3.386 1.00 0.38 C ATOM 758 ND1 HIS A 596 2.736 -1.477 -4.467 1.00 0.43 N ATOM 759 CD2 HIS A 596 4.154 -0.162 -3.364 1.00 0.50 C ATOM 760 CE1 HIS A 596 3.917 -1.503 -5.066 1.00 0.53 C ATOM 761 NE2 HIS A 596 4.801 -0.725 -4.435 1.00 0.59 N ATOM 0 H HIS A 596 1.841 -2.469 -1.199 1.00 0.35 H new ATOM 0 HA HIS A 596 2.967 0.093 -0.788 1.00 0.33 H new ATOM 0 HB2 HIS A 596 0.911 -0.988 -2.723 1.00 0.39 H new ATOM 0 HB3 HIS A 596 1.383 0.700 -2.723 1.00 0.39 H new ATOM 0 HD1 HIS A 596 1.893 -1.978 -4.746 1.00 0.43 H new ATOM 0 HD2 HIS A 596 4.576 0.522 -2.643 1.00 0.50 H new ATOM 0 HE1 HIS A 596 4.137 -2.080 -5.952 1.00 0.53 H new ATOM 769 N SER A 597 1.160 1.412 0.395 1.00 0.30 N ATOM 770 CA SER A 597 0.144 2.186 1.083 1.00 0.32 C ATOM 771 C SER A 597 -0.808 2.804 0.072 1.00 0.33 C ATOM 772 O SER A 597 -1.985 3.019 0.353 1.00 0.42 O ATOM 773 CB SER A 597 0.805 3.244 1.964 1.00 0.38 C ATOM 774 OG SER A 597 1.973 3.754 1.345 1.00 1.13 O ATOM 0 H SER A 597 2.101 1.801 0.459 1.00 0.30 H new ATOM 0 HA SER A 597 -0.440 1.534 1.732 1.00 0.32 H new ATOM 0 HB2 SER A 597 0.104 4.057 2.153 1.00 0.38 H new ATOM 0 HB3 SER A 597 1.060 2.811 2.931 1.00 0.38 H new ATOM 0 HG SER A 597 2.381 4.431 1.924 1.00 1.13 H new ATOM 780 N THR A 598 -0.276 3.080 -1.111 1.00 0.31 N ATOM 781 CA THR A 598 -1.067 3.566 -2.226 1.00 0.36 C ATOM 782 C THR A 598 -2.093 2.514 -2.660 1.00 0.38 C ATOM 783 O THR A 598 -3.225 2.839 -3.015 1.00 0.47 O ATOM 784 CB THR A 598 -0.137 3.919 -3.405 1.00 0.45 C ATOM 785 OG1 THR A 598 0.905 4.781 -2.942 1.00 1.40 O ATOM 786 CG2 THR A 598 -0.902 4.594 -4.539 1.00 1.33 C ATOM 0 H THR A 598 0.716 2.972 -1.322 1.00 0.31 H new ATOM 0 HA THR A 598 -1.606 4.459 -1.911 1.00 0.36 H new ATOM 0 HB THR A 598 0.288 2.994 -3.795 1.00 0.45 H new ATOM 0 HG1 THR A 598 0.774 5.680 -3.310 1.00 1.40 H new ATOM 0 HG21 THR A 598 -0.215 4.828 -5.352 1.00 1.33 H new ATOM 0 HG22 THR A 598 -1.680 3.923 -4.903 1.00 1.33 H new ATOM 0 HG23 THR A 598 -1.358 5.514 -4.173 1.00 1.33 H new ATOM 794 N CYS A 599 -1.681 1.252 -2.628 1.00 0.40 N ATOM 795 CA CYS A 599 -2.565 0.138 -2.957 1.00 0.52 C ATOM 796 C CYS A 599 -3.546 -0.131 -1.818 1.00 0.59 C ATOM 797 O CYS A 599 -4.659 -0.598 -2.041 1.00 0.81 O ATOM 798 CB CYS A 599 -1.756 -1.122 -3.253 1.00 0.65 C ATOM 799 SG CYS A 599 -0.629 -0.975 -4.682 1.00 0.80 S ATOM 0 H CYS A 599 -0.733 0.973 -2.376 1.00 0.40 H new ATOM 0 HA CYS A 599 -3.130 0.411 -3.848 1.00 0.52 H new ATOM 0 HB2 CYS A 599 -1.172 -1.380 -2.370 1.00 0.65 H new ATOM 0 HB3 CYS A 599 -2.445 -1.948 -3.432 1.00 0.65 H new ATOM 0 HG CYS A 599 -0.063 -2.123 -4.909 1.00 0.80 H new ATOM 804 N TYR A 600 -3.106 0.165 -0.598 1.00 0.72 N ATOM 805 CA TYR A 600 -3.865 -0.134 0.617 1.00 0.76 C ATOM 806 C TYR A 600 -5.260 0.479 0.573 1.00 0.92 C ATOM 807 O TYR A 600 -6.216 -0.099 1.085 1.00 1.32 O ATOM 808 CB TYR A 600 -3.095 0.378 1.845 1.00 1.23 C ATOM 809 CG TYR A 600 -3.793 0.153 3.170 1.00 1.21 C ATOM 810 CD1 TYR A 600 -3.801 -1.103 3.767 1.00 1.54 C ATOM 811 CD2 TYR A 600 -4.447 1.191 3.823 1.00 1.81 C ATOM 812 CE1 TYR A 600 -4.437 -1.316 4.975 1.00 1.58 C ATOM 813 CE2 TYR A 600 -5.087 0.985 5.031 1.00 1.88 C ATOM 814 CZ TYR A 600 -5.073 -0.254 5.607 1.00 1.34 C ATOM 815 OH TYR A 600 -5.708 -0.481 6.809 1.00 1.50 O ATOM 0 H TYR A 600 -2.211 0.620 -0.422 1.00 0.72 H new ATOM 0 HA TYR A 600 -3.985 -1.215 0.686 1.00 0.76 H new ATOM 0 HB2 TYR A 600 -2.121 -0.111 1.876 1.00 1.23 H new ATOM 0 HB3 TYR A 600 -2.912 1.446 1.723 1.00 1.23 H new ATOM 0 HD1 TYR A 600 -3.301 -1.926 3.278 1.00 1.54 H new ATOM 0 HD2 TYR A 600 -4.455 2.176 3.379 1.00 1.81 H new ATOM 0 HE1 TYR A 600 -4.440 -2.298 5.424 1.00 1.58 H new ATOM 0 HE2 TYR A 600 -5.597 1.802 5.519 1.00 1.88 H new ATOM 0 HH TYR A 600 -6.106 0.354 7.131 1.00 1.50 H new ATOM 825 N HIS A 601 -5.369 1.644 -0.041 1.00 1.32 N ATOM 826 CA HIS A 601 -6.627 2.370 -0.084 1.00 2.05 C ATOM 827 C HIS A 601 -7.735 1.576 -0.769 1.00 2.31 C ATOM 828 O HIS A 601 -8.900 1.709 -0.398 1.00 2.87 O ATOM 829 CB HIS A 601 -6.442 3.720 -0.774 1.00 2.65 C ATOM 830 CG HIS A 601 -5.593 4.674 0.020 1.00 3.21 C ATOM 831 ND1 HIS A 601 -5.119 5.849 -0.515 1.00 3.75 N ATOM 832 CD2 HIS A 601 -5.178 4.579 1.307 1.00 3.78 C ATOM 833 CE1 HIS A 601 -4.433 6.436 0.453 1.00 4.41 C ATOM 834 NE2 HIS A 601 -4.443 5.705 1.578 1.00 4.52 N ATOM 0 H HIS A 601 -4.598 2.110 -0.519 1.00 1.32 H new ATOM 0 HA HIS A 601 -6.936 2.531 0.949 1.00 2.05 H new ATOM 0 HB2 HIS A 601 -5.985 3.563 -1.751 1.00 2.65 H new ATOM 0 HB3 HIS A 601 -7.419 4.170 -0.948 1.00 2.65 H new ATOM 0 HD2 HIS A 601 -5.387 3.769 1.990 1.00 3.78 H new ATOM 0 HE1 HIS A 601 -3.928 7.385 0.350 1.00 4.41 H new ATOM 0 HE2 HIS A 601 -3.992 5.941 2.462 1.00 4.52 H new ATOM 842 N GLU A 602 -7.388 0.751 -1.761 1.00 2.11 N ATOM 843 CA GLU A 602 -8.409 -0.019 -2.464 1.00 2.52 C ATOM 844 C GLU A 602 -8.944 -1.148 -1.585 1.00 2.51 C ATOM 845 O GLU A 602 -10.119 -1.493 -1.668 1.00 3.03 O ATOM 846 CB GLU A 602 -7.919 -0.564 -3.822 1.00 2.62 C ATOM 847 CG GLU A 602 -7.019 -1.795 -3.762 1.00 2.43 C ATOM 848 CD GLU A 602 -7.043 -2.568 -5.069 1.00 3.14 C ATOM 849 OE1 GLU A 602 -7.710 -3.624 -5.133 1.00 3.38 O ATOM 850 OE2 GLU A 602 -6.389 -2.124 -6.036 1.00 3.85 O ATOM 0 H GLU A 602 -6.433 0.603 -2.087 1.00 2.11 H new ATOM 0 HA GLU A 602 -9.224 0.671 -2.681 1.00 2.52 H new ATOM 0 HB2 GLU A 602 -8.791 -0.805 -4.431 1.00 2.62 H new ATOM 0 HB3 GLU A 602 -7.380 0.231 -4.337 1.00 2.62 H new ATOM 0 HG2 GLU A 602 -5.997 -1.489 -3.538 1.00 2.43 H new ATOM 0 HG3 GLU A 602 -7.343 -2.444 -2.948 1.00 2.43 H new ATOM 857 N THR A 603 -8.088 -1.718 -0.742 1.00 2.11 N ATOM 858 CA THR A 603 -8.502 -2.834 0.092 1.00 2.36 C ATOM 859 C THR A 603 -9.084 -2.338 1.413 1.00 2.86 C ATOM 860 O THR A 603 -9.889 -3.025 2.049 1.00 3.30 O ATOM 861 CB THR A 603 -7.345 -3.833 0.356 1.00 2.18 C ATOM 862 OG1 THR A 603 -7.819 -4.944 1.127 1.00 2.46 O ATOM 863 CG2 THR A 603 -6.190 -3.169 1.087 1.00 2.65 C ATOM 0 H THR A 603 -7.117 -1.429 -0.621 1.00 2.11 H new ATOM 0 HA THR A 603 -9.276 -3.369 -0.458 1.00 2.36 H new ATOM 0 HB THR A 603 -6.984 -4.181 -0.612 1.00 2.18 H new ATOM 0 HG1 THR A 603 -7.082 -5.569 1.287 1.00 2.46 H new ATOM 0 HG21 THR A 603 -5.398 -3.899 1.255 1.00 2.65 H new ATOM 0 HG22 THR A 603 -5.804 -2.346 0.486 1.00 2.65 H new ATOM 0 HG23 THR A 603 -6.539 -2.785 2.046 1.00 2.65 H new