USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 580 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 Single : A 539 LYS NZ :NH3+ -135:sc= 1.27 (180deg=0.0408) USER MOD Single : A 540 ASN : amide:sc= -0.0473 K(o=-0.047,f=-1.6!) USER MOD Single : A 544 SER OG : rot 77:sc= 1.23 USER MOD Single : A 545 TYR OH : rot -167:sc= -1.48! USER MOD Single : A 548 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.4!) USER MOD Single : A 549 MET CE :methyl 138:sc= -0.831 (180deg=-2.79!) USER MOD Single : A 550 LYS NZ :NH3+ 152:sc= -0.18 (180deg=-1.33!) USER MOD Single : A 551 SER OG : rot 71:sc= 1.28 USER MOD Single : A 559 LYS NZ :NH3+ 163:sc= -0.0498 (180deg=-0.339) USER MOD Single : A 561 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 563 SER OG : rot 83:sc= 1.37 USER MOD Single : A 567 LYS NZ :NH3+ 155:sc= -0.209 (180deg=-0.928!) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 573 LYS NZ :NH3+ -152:sc= -1.04! (180deg=-2.69!) USER MOD Single : A 574 CYS SG : rot -126:sc= -2.66! USER MOD Single : A 575 GLN : amide:sc= -0.561 X(o=-0.56,f=-0.16) USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 584 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 585 THR OG1 : rot 180:sc= -1.48! USER MOD Single : A 589 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 HIS : no HE2:sc= -0.0316 K(o=-0.032,f=-0.83) USER MOD Single : A 595 LYS NZ :NH3+ -175:sc= 1.22 (180deg=1.09) USER MOD Single : A 597 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0676) USER MOD Single : A 601 GLN : amide:sc=-0.00786 X(o=-0.0079,f=0) USER MOD Single : A 603 CYS SG : rot -82:sc= -2.2! USER MOD Single : A 604 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 608 SER OG : rot -83:sc= 0.977 USER MOD ----------------------------------------------------------------- ATOM 12 N ALA A 538 -12.690 0.250 -6.846 1.00 0.00 N ATOM 13 CA ALA A 538 -11.675 0.881 -6.014 1.00 0.00 C ATOM 14 C ALA A 538 -10.954 -0.162 -5.169 1.00 0.00 C ATOM 15 O ALA A 538 -9.807 0.036 -4.777 1.00 0.00 O ATOM 16 CB ALA A 538 -12.285 1.967 -5.128 1.00 0.00 C ATOM 0 HA ALA A 538 -10.947 1.357 -6.671 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -11.504 2.420 -4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -12.746 2.731 -5.754 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -13.041 1.525 -4.479 1.00 0.00 H new ATOM 22 N LYS A 539 -11.624 -1.278 -4.905 1.00 0.00 N ATOM 23 CA LYS A 539 -11.011 -2.380 -4.173 1.00 0.00 C ATOM 24 C LYS A 539 -9.849 -2.955 -4.982 1.00 0.00 C ATOM 25 O LYS A 539 -8.743 -3.132 -4.466 1.00 0.00 O ATOM 26 CB LYS A 539 -12.066 -3.460 -3.875 1.00 0.00 C ATOM 27 CG LYS A 539 -11.617 -4.550 -2.909 1.00 0.00 C ATOM 28 CD LYS A 539 -10.778 -5.600 -3.615 1.00 0.00 C ATOM 29 CE LYS A 539 -10.462 -6.789 -2.721 1.00 0.00 C ATOM 30 NZ LYS A 539 -9.726 -7.850 -3.461 1.00 0.00 N ATOM 0 H LYS A 539 -12.590 -1.443 -5.186 1.00 0.00 H new ATOM 0 HA LYS A 539 -10.619 -2.015 -3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 539 -12.954 -2.977 -3.467 1.00 0.00 H new ATOM 0 HB3 LYS A 539 -12.361 -3.927 -4.815 1.00 0.00 H new ATOM 0 HG2 LYS A 539 -11.040 -4.105 -2.098 1.00 0.00 H new ATOM 0 HG3 LYS A 539 -12.490 -5.022 -2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 539 -11.307 -5.947 -4.502 1.00 0.00 H new ATOM 0 HD3 LYS A 539 -9.847 -5.148 -3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 539 -9.866 -6.457 -1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 539 -11.389 -7.200 -2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 539 -10.137 -8.779 -3.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 539 -9.801 -7.676 -4.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 539 -8.725 -7.838 -3.180 1.00 0.00 H new ATOM 44 N ASN A 540 -10.105 -3.220 -6.260 1.00 0.00 N ATOM 45 CA ASN A 540 -9.081 -3.748 -7.159 1.00 0.00 C ATOM 46 C ASN A 540 -7.936 -2.755 -7.331 1.00 0.00 C ATOM 47 O ASN A 540 -6.766 -3.144 -7.339 1.00 0.00 O ATOM 48 CB ASN A 540 -9.682 -4.106 -8.523 1.00 0.00 C ATOM 49 CG ASN A 540 -10.430 -5.425 -8.497 1.00 0.00 C ATOM 50 OD1 ASN A 540 -10.102 -6.322 -7.722 1.00 0.00 O ATOM 51 ND2 ASN A 540 -11.426 -5.562 -9.355 1.00 0.00 N ATOM 0 H ASN A 540 -11.015 -3.078 -6.698 1.00 0.00 H new ATOM 0 HA ASN A 540 -8.682 -4.656 -6.707 1.00 0.00 H new ATOM 0 HB2 ASN A 540 -10.360 -3.313 -8.838 1.00 0.00 H new ATOM 0 HB3 ASN A 540 -8.886 -4.158 -9.266 1.00 0.00 H new ATOM 0 HD21 ASN A 540 -11.952 -6.435 -9.390 1.00 0.00 H new ATOM 0 HD22 ASN A 540 -11.668 -4.795 -9.982 1.00 0.00 H new ATOM 58 N ALA A 541 -8.276 -1.474 -7.458 1.00 0.00 N ATOM 59 CA ALA A 541 -7.269 -0.420 -7.577 1.00 0.00 C ATOM 60 C ALA A 541 -6.402 -0.361 -6.328 1.00 0.00 C ATOM 61 O ALA A 541 -5.177 -0.276 -6.409 1.00 0.00 O ATOM 62 CB ALA A 541 -7.931 0.928 -7.810 1.00 0.00 C ATOM 0 H ALA A 541 -9.240 -1.140 -7.481 1.00 0.00 H new ATOM 0 HA ALA A 541 -6.636 -0.654 -8.433 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -7.166 1.699 -7.896 1.00 0.00 H new ATOM 0 HB2 ALA A 541 -8.515 0.892 -8.730 1.00 0.00 H new ATOM 0 HB3 ALA A 541 -8.588 1.160 -6.972 1.00 0.00 H new ATOM 68 N LEU A 542 -7.052 -0.427 -5.177 1.00 0.00 N ATOM 69 CA LEU A 542 -6.375 -0.320 -3.895 1.00 0.00 C ATOM 70 C LEU A 542 -5.426 -1.482 -3.663 1.00 0.00 C ATOM 71 O LEU A 542 -4.275 -1.285 -3.271 1.00 0.00 O ATOM 72 CB LEU A 542 -7.408 -0.282 -2.775 1.00 0.00 C ATOM 73 CG LEU A 542 -7.374 0.964 -1.909 1.00 0.00 C ATOM 74 CD1 LEU A 542 -6.075 1.041 -1.125 1.00 0.00 C ATOM 75 CD2 LEU A 542 -7.532 2.189 -2.776 1.00 0.00 C ATOM 0 H LEU A 542 -8.061 -0.556 -5.105 1.00 0.00 H new ATOM 0 HA LEU A 542 -5.790 0.599 -3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 542 -8.401 -0.373 -3.215 1.00 0.00 H new ATOM 0 HB3 LEU A 542 -7.261 -1.153 -2.137 1.00 0.00 H new ATOM 0 HG LEU A 542 -8.198 0.917 -1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 542 -6.073 1.942 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 542 -5.985 0.165 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 542 -5.234 1.072 -1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 542 -7.507 3.082 -2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 542 -6.718 2.230 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 542 -8.485 2.141 -3.303 1.00 0.00 H new ATOM 87 N GLU A 543 -5.909 -2.689 -3.911 1.00 0.00 N ATOM 88 CA GLU A 543 -5.132 -3.875 -3.651 1.00 0.00 C ATOM 89 C GLU A 543 -3.937 -3.945 -4.587 1.00 0.00 C ATOM 90 O GLU A 543 -2.832 -4.268 -4.164 1.00 0.00 O ATOM 91 CB GLU A 543 -6.001 -5.118 -3.796 1.00 0.00 C ATOM 92 CG GLU A 543 -5.449 -6.309 -3.042 1.00 0.00 C ATOM 93 CD GLU A 543 -6.013 -7.624 -3.529 1.00 0.00 C ATOM 94 OE1 GLU A 543 -7.078 -8.041 -3.029 1.00 0.00 O ATOM 95 OE2 GLU A 543 -5.396 -8.253 -4.413 1.00 0.00 O ATOM 0 H GLU A 543 -6.838 -2.866 -4.293 1.00 0.00 H new ATOM 0 HA GLU A 543 -4.761 -3.830 -2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -7.005 -4.898 -3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -6.091 -5.372 -4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -4.364 -6.325 -3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -5.670 -6.195 -1.981 1.00 0.00 H new ATOM 102 N SER A 544 -4.161 -3.616 -5.854 1.00 0.00 N ATOM 103 CA SER A 544 -3.085 -3.588 -6.832 1.00 0.00 C ATOM 104 C SER A 544 -2.058 -2.528 -6.455 1.00 0.00 C ATOM 105 O SER A 544 -0.858 -2.771 -6.531 1.00 0.00 O ATOM 106 CB SER A 544 -3.641 -3.311 -8.226 1.00 0.00 C ATOM 107 OG SER A 544 -4.618 -4.274 -8.583 1.00 0.00 O ATOM 0 H SER A 544 -5.077 -3.366 -6.226 1.00 0.00 H new ATOM 0 HA SER A 544 -2.597 -4.562 -6.839 1.00 0.00 H new ATOM 0 HB2 SER A 544 -4.080 -2.314 -8.255 1.00 0.00 H new ATOM 0 HB3 SER A 544 -2.830 -3.323 -8.954 1.00 0.00 H new ATOM 0 HG SER A 544 -5.461 -4.070 -8.126 1.00 0.00 H new ATOM 113 N TYR A 545 -2.539 -1.367 -6.020 1.00 0.00 N ATOM 114 CA TYR A 545 -1.668 -0.274 -5.599 1.00 0.00 C ATOM 115 C TYR A 545 -0.821 -0.715 -4.411 1.00 0.00 C ATOM 116 O TYR A 545 0.403 -0.556 -4.410 1.00 0.00 O ATOM 117 CB TYR A 545 -2.520 0.949 -5.218 1.00 0.00 C ATOM 118 CG TYR A 545 -1.751 2.246 -5.111 1.00 0.00 C ATOM 119 CD1 TYR A 545 -0.670 2.375 -4.251 1.00 0.00 C ATOM 120 CD2 TYR A 545 -2.110 3.341 -5.880 1.00 0.00 C ATOM 121 CE1 TYR A 545 0.039 3.553 -4.165 1.00 0.00 C ATOM 122 CE2 TYR A 545 -1.408 4.530 -5.799 1.00 0.00 C ATOM 123 CZ TYR A 545 -0.331 4.628 -4.940 1.00 0.00 C ATOM 124 OH TYR A 545 0.390 5.797 -4.865 1.00 0.00 O ATOM 0 H TYR A 545 -3.535 -1.158 -5.950 1.00 0.00 H new ATOM 0 HA TYR A 545 -1.006 -0.003 -6.421 1.00 0.00 H new ATOM 0 HB2 TYR A 545 -3.309 1.070 -5.960 1.00 0.00 H new ATOM 0 HB3 TYR A 545 -3.008 0.752 -4.263 1.00 0.00 H new ATOM 0 HD1 TYR A 545 -0.379 1.536 -3.637 1.00 0.00 H new ATOM 0 HD2 TYR A 545 -2.951 3.265 -6.553 1.00 0.00 H new ATOM 0 HE1 TYR A 545 0.881 3.632 -3.493 1.00 0.00 H new ATOM 0 HE2 TYR A 545 -1.700 5.376 -6.403 1.00 0.00 H new ATOM 0 HH TYR A 545 -0.108 6.517 -5.306 1.00 0.00 H new ATOM 134 N ALA A 546 -1.474 -1.294 -3.412 1.00 0.00 N ATOM 135 CA ALA A 546 -0.783 -1.750 -2.220 1.00 0.00 C ATOM 136 C ALA A 546 0.187 -2.874 -2.568 1.00 0.00 C ATOM 137 O ALA A 546 1.320 -2.898 -2.088 1.00 0.00 O ATOM 138 CB ALA A 546 -1.785 -2.193 -1.160 1.00 0.00 C ATOM 0 H ALA A 546 -2.481 -1.458 -3.406 1.00 0.00 H new ATOM 0 HA ALA A 546 -0.206 -0.922 -1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 546 -1.250 -2.532 -0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 546 -2.430 -1.355 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 546 -2.392 -3.009 -1.552 1.00 0.00 H new ATOM 144 N PHE A 547 -0.261 -3.789 -3.427 1.00 0.00 N ATOM 145 CA PHE A 547 0.590 -4.858 -3.932 1.00 0.00 C ATOM 146 C PHE A 547 1.813 -4.284 -4.633 1.00 0.00 C ATOM 147 O PHE A 547 2.928 -4.756 -4.440 1.00 0.00 O ATOM 148 CB PHE A 547 -0.177 -5.748 -4.908 1.00 0.00 C ATOM 149 CG PHE A 547 -0.562 -7.080 -4.334 1.00 0.00 C ATOM 150 CD1 PHE A 547 -1.647 -7.195 -3.486 1.00 0.00 C ATOM 151 CD2 PHE A 547 0.163 -8.218 -4.648 1.00 0.00 C ATOM 152 CE1 PHE A 547 -2.005 -8.420 -2.957 1.00 0.00 C ATOM 153 CE2 PHE A 547 -0.189 -9.447 -4.123 1.00 0.00 C ATOM 154 CZ PHE A 547 -1.274 -9.547 -3.276 1.00 0.00 C ATOM 0 H PHE A 547 -1.215 -3.808 -3.788 1.00 0.00 H new ATOM 0 HA PHE A 547 0.910 -5.456 -3.079 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -1.078 -5.227 -5.230 1.00 0.00 H new ATOM 0 HB3 PHE A 547 0.433 -5.908 -5.797 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -2.222 -6.316 -3.234 1.00 0.00 H new ATOM 0 HD2 PHE A 547 1.013 -8.144 -5.310 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -2.855 -8.496 -2.295 1.00 0.00 H new ATOM 0 HE2 PHE A 547 0.384 -10.327 -4.375 1.00 0.00 H new ATOM 0 HZ PHE A 547 -1.551 -10.506 -2.863 1.00 0.00 H new ATOM 164 N ASN A 548 1.583 -3.255 -5.439 1.00 0.00 N ATOM 165 CA ASN A 548 2.638 -2.607 -6.213 1.00 0.00 C ATOM 166 C ASN A 548 3.715 -2.005 -5.316 1.00 0.00 C ATOM 167 O ASN A 548 4.901 -2.247 -5.531 1.00 0.00 O ATOM 168 CB ASN A 548 2.039 -1.525 -7.122 1.00 0.00 C ATOM 169 CG ASN A 548 1.469 -2.093 -8.411 1.00 0.00 C ATOM 170 OD1 ASN A 548 1.950 -3.105 -8.926 1.00 0.00 O ATOM 171 ND2 ASN A 548 0.445 -1.445 -8.946 1.00 0.00 N ATOM 0 H ASN A 548 0.659 -2.845 -5.576 1.00 0.00 H new ATOM 0 HA ASN A 548 3.113 -3.372 -6.827 1.00 0.00 H new ATOM 0 HB2 ASN A 548 1.252 -0.998 -6.583 1.00 0.00 H new ATOM 0 HB3 ASN A 548 2.808 -0.791 -7.362 1.00 0.00 H new ATOM 0 HD21 ASN A 548 0.027 -1.780 -9.814 1.00 0.00 H new ATOM 0 HD22 ASN A 548 0.075 -0.611 -8.490 1.00 0.00 H new ATOM 178 N MET A 549 3.313 -1.232 -4.309 1.00 0.00 N ATOM 179 CA MET A 549 4.276 -0.621 -3.397 1.00 0.00 C ATOM 180 C MET A 549 5.014 -1.695 -2.612 1.00 0.00 C ATOM 181 O MET A 549 6.230 -1.635 -2.430 1.00 0.00 O ATOM 182 CB MET A 549 3.563 0.316 -2.430 1.00 0.00 C ATOM 183 CG MET A 549 2.676 1.352 -3.101 1.00 0.00 C ATOM 184 SD MET A 549 3.585 2.594 -4.039 1.00 0.00 S ATOM 185 CE MET A 549 3.812 1.751 -5.599 1.00 0.00 C ATOM 0 H MET A 549 2.337 -1.016 -4.106 1.00 0.00 H new ATOM 0 HA MET A 549 4.995 -0.051 -3.986 1.00 0.00 H new ATOM 0 HB2 MET A 549 2.955 -0.279 -1.748 1.00 0.00 H new ATOM 0 HB3 MET A 549 4.309 0.831 -1.825 1.00 0.00 H new ATOM 0 HG2 MET A 549 1.981 0.843 -3.769 1.00 0.00 H new ATOM 0 HG3 MET A 549 2.078 1.852 -2.339 1.00 0.00 H new ATOM 0 HE1 MET A 549 3.638 2.449 -6.418 1.00 0.00 H new ATOM 0 HE2 MET A 549 4.830 1.366 -5.660 1.00 0.00 H new ATOM 0 HE3 MET A 549 3.106 0.923 -5.671 1.00 0.00 H new ATOM 195 N LYS A 550 4.254 -2.681 -2.164 1.00 0.00 N ATOM 196 CA LYS A 550 4.796 -3.822 -1.441 1.00 0.00 C ATOM 197 C LYS A 550 5.818 -4.571 -2.296 1.00 0.00 C ATOM 198 O LYS A 550 6.908 -4.892 -1.831 1.00 0.00 O ATOM 199 CB LYS A 550 3.633 -4.728 -1.015 1.00 0.00 C ATOM 200 CG LYS A 550 4.003 -6.159 -0.671 1.00 0.00 C ATOM 201 CD LYS A 550 2.924 -6.792 0.190 1.00 0.00 C ATOM 202 CE LYS A 550 3.123 -6.439 1.655 1.00 0.00 C ATOM 203 NZ LYS A 550 3.986 -7.440 2.338 1.00 0.00 N ATOM 0 H LYS A 550 3.242 -2.714 -2.291 1.00 0.00 H new ATOM 0 HA LYS A 550 5.324 -3.483 -0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 550 3.147 -4.280 -0.148 1.00 0.00 H new ATOM 0 HB3 LYS A 550 2.898 -4.746 -1.819 1.00 0.00 H new ATOM 0 HG2 LYS A 550 4.133 -6.738 -1.586 1.00 0.00 H new ATOM 0 HG3 LYS A 550 4.956 -6.178 -0.143 1.00 0.00 H new ATOM 0 HD2 LYS A 550 1.943 -6.451 -0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 550 2.943 -7.875 0.067 1.00 0.00 H new ATOM 0 HE2 LYS A 550 3.575 -5.450 1.735 1.00 0.00 H new ATOM 0 HE3 LYS A 550 2.155 -6.389 2.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 4.487 -6.985 3.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 3.397 -8.216 2.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 4.679 -7.820 1.662 1.00 0.00 H new ATOM 217 N SER A 551 5.469 -4.813 -3.547 1.00 0.00 N ATOM 218 CA SER A 551 6.350 -5.478 -4.486 1.00 0.00 C ATOM 219 C SER A 551 7.586 -4.633 -4.786 1.00 0.00 C ATOM 220 O SER A 551 8.670 -5.169 -4.991 1.00 0.00 O ATOM 221 CB SER A 551 5.584 -5.773 -5.776 1.00 0.00 C ATOM 222 OG SER A 551 4.488 -6.641 -5.529 1.00 0.00 O ATOM 0 H SER A 551 4.564 -4.553 -3.940 1.00 0.00 H new ATOM 0 HA SER A 551 6.691 -6.412 -4.039 1.00 0.00 H new ATOM 0 HB2 SER A 551 5.223 -4.841 -6.211 1.00 0.00 H new ATOM 0 HB3 SER A 551 6.255 -6.227 -6.506 1.00 0.00 H new ATOM 0 HG SER A 551 3.792 -6.157 -5.037 1.00 0.00 H new ATOM 228 N ALA A 552 7.416 -3.316 -4.828 1.00 0.00 N ATOM 229 CA ALA A 552 8.514 -2.415 -5.165 1.00 0.00 C ATOM 230 C ALA A 552 9.593 -2.411 -4.087 1.00 0.00 C ATOM 231 O ALA A 552 10.770 -2.540 -4.385 1.00 0.00 O ATOM 232 CB ALA A 552 7.990 -1.007 -5.393 1.00 0.00 C ATOM 0 H ALA A 552 6.531 -2.849 -4.633 1.00 0.00 H new ATOM 0 HA ALA A 552 8.969 -2.780 -6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 552 8.820 -0.346 -5.643 1.00 0.00 H new ATOM 0 HB2 ALA A 552 7.272 -1.014 -6.213 1.00 0.00 H new ATOM 0 HB3 ALA A 552 7.502 -0.649 -4.486 1.00 0.00 H new ATOM 238 N VAL A 553 9.189 -2.302 -2.832 1.00 0.00 N ATOM 239 CA VAL A 553 10.146 -2.267 -1.730 1.00 0.00 C ATOM 240 C VAL A 553 10.720 -3.649 -1.459 1.00 0.00 C ATOM 241 O VAL A 553 11.880 -3.793 -1.075 1.00 0.00 O ATOM 242 CB VAL A 553 9.497 -1.727 -0.450 1.00 0.00 C ATOM 243 CG1 VAL A 553 9.031 -0.310 -0.689 1.00 0.00 C ATOM 244 CG2 VAL A 553 8.336 -2.607 -0.013 1.00 0.00 C ATOM 0 H VAL A 553 8.211 -2.236 -2.548 1.00 0.00 H new ATOM 0 HA VAL A 553 10.954 -1.598 -2.027 1.00 0.00 H new ATOM 0 HB VAL A 553 10.235 -1.735 0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 553 8.569 0.079 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 553 9.884 0.313 -0.957 1.00 0.00 H new ATOM 0 HG13 VAL A 553 8.304 -0.298 -1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 553 7.894 -2.201 0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 553 7.583 -2.634 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 553 8.697 -3.617 0.179 1.00 0.00 H new ATOM 254 N GLU A 554 9.889 -4.661 -1.650 1.00 0.00 N ATOM 255 CA GLU A 554 10.290 -6.037 -1.444 1.00 0.00 C ATOM 256 C GLU A 554 10.941 -6.631 -2.693 1.00 0.00 C ATOM 257 O GLU A 554 11.325 -7.802 -2.704 1.00 0.00 O ATOM 258 CB GLU A 554 9.069 -6.839 -1.015 1.00 0.00 C ATOM 259 CG GLU A 554 9.098 -7.237 0.446 1.00 0.00 C ATOM 260 CD GLU A 554 9.954 -8.454 0.719 1.00 0.00 C ATOM 261 OE1 GLU A 554 11.173 -8.293 0.945 1.00 0.00 O ATOM 262 OE2 GLU A 554 9.404 -9.571 0.735 1.00 0.00 O ATOM 0 H GLU A 554 8.921 -4.549 -1.951 1.00 0.00 H new ATOM 0 HA GLU A 554 11.046 -6.077 -0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 554 8.171 -6.252 -1.207 1.00 0.00 H new ATOM 0 HB3 GLU A 554 8.999 -7.738 -1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 554 9.471 -6.400 1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 554 8.080 -7.435 0.782 1.00 0.00 H new ATOM 269 N ASP A 555 11.063 -5.823 -3.738 1.00 0.00 N ATOM 270 CA ASP A 555 11.790 -6.227 -4.938 1.00 0.00 C ATOM 271 C ASP A 555 13.248 -6.468 -4.596 1.00 0.00 C ATOM 272 O ASP A 555 13.834 -5.737 -3.808 1.00 0.00 O ATOM 273 CB ASP A 555 11.698 -5.158 -6.027 1.00 0.00 C ATOM 274 CG ASP A 555 12.654 -5.430 -7.169 1.00 0.00 C ATOM 275 OD1 ASP A 555 12.408 -6.369 -7.955 1.00 0.00 O ATOM 276 OD2 ASP A 555 13.676 -4.728 -7.271 1.00 0.00 O ATOM 0 H ASP A 555 10.668 -4.883 -3.781 1.00 0.00 H new ATOM 0 HA ASP A 555 11.337 -7.144 -5.314 1.00 0.00 H new ATOM 0 HB2 ASP A 555 10.678 -5.117 -6.410 1.00 0.00 H new ATOM 0 HB3 ASP A 555 11.916 -4.181 -5.596 1.00 0.00 H new ATOM 281 N GLU A 556 13.832 -7.481 -5.208 1.00 0.00 N ATOM 282 CA GLU A 556 15.178 -7.911 -4.864 1.00 0.00 C ATOM 283 C GLU A 556 16.243 -6.902 -5.275 1.00 0.00 C ATOM 284 O GLU A 556 17.398 -7.011 -4.861 1.00 0.00 O ATOM 285 CB GLU A 556 15.487 -9.239 -5.512 1.00 0.00 C ATOM 286 CG GLU A 556 15.367 -9.208 -7.028 1.00 0.00 C ATOM 287 CD GLU A 556 15.636 -10.552 -7.666 1.00 0.00 C ATOM 288 OE1 GLU A 556 16.722 -11.117 -7.434 1.00 0.00 O ATOM 289 OE2 GLU A 556 14.774 -11.042 -8.421 1.00 0.00 O ATOM 0 H GLU A 556 13.394 -8.026 -5.951 1.00 0.00 H new ATOM 0 HA GLU A 556 15.203 -8.002 -3.778 1.00 0.00 H new ATOM 0 HB2 GLU A 556 16.498 -9.542 -5.240 1.00 0.00 H new ATOM 0 HB3 GLU A 556 14.810 -9.996 -5.116 1.00 0.00 H new ATOM 0 HG2 GLU A 556 14.366 -8.875 -7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 556 16.067 -8.475 -7.428 1.00 0.00 H new ATOM 296 N GLY A 557 15.880 -5.945 -6.106 1.00 0.00 N ATOM 297 CA GLY A 557 16.830 -4.925 -6.472 1.00 0.00 C ATOM 298 C GLY A 557 16.562 -3.633 -5.741 1.00 0.00 C ATOM 299 O GLY A 557 17.482 -2.991 -5.235 1.00 0.00 O ATOM 0 H GLY A 557 14.956 -5.856 -6.529 1.00 0.00 H new ATOM 0 HA2 GLY A 557 17.840 -5.269 -6.247 1.00 0.00 H new ATOM 0 HA3 GLY A 557 16.784 -4.752 -7.547 1.00 0.00 H new ATOM 303 N LEU A 558 15.294 -3.271 -5.659 1.00 0.00 N ATOM 304 CA LEU A 558 14.879 -2.076 -4.943 1.00 0.00 C ATOM 305 C LEU A 558 15.043 -2.249 -3.437 1.00 0.00 C ATOM 306 O LEU A 558 15.028 -1.272 -2.690 1.00 0.00 O ATOM 307 CB LEU A 558 13.435 -1.741 -5.280 1.00 0.00 C ATOM 308 CG LEU A 558 13.221 -1.093 -6.647 1.00 0.00 C ATOM 309 CD1 LEU A 558 11.804 -1.335 -7.127 1.00 0.00 C ATOM 310 CD2 LEU A 558 13.502 0.399 -6.579 1.00 0.00 C ATOM 0 H LEU A 558 14.527 -3.792 -6.083 1.00 0.00 H new ATOM 0 HA LEU A 558 15.520 -1.253 -5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 558 12.846 -2.657 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 558 13.045 -1.072 -4.513 1.00 0.00 H new ATOM 0 HG LEU A 558 13.915 -1.546 -7.355 1.00 0.00 H new ATOM 0 HD11 LEU A 558 11.665 -0.868 -8.102 1.00 0.00 H new ATOM 0 HD12 LEU A 558 11.626 -2.407 -7.210 1.00 0.00 H new ATOM 0 HD13 LEU A 558 11.100 -0.904 -6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 558 13.345 0.844 -7.561 1.00 0.00 H new ATOM 0 HD22 LEU A 558 12.829 0.863 -5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 558 14.534 0.561 -6.269 1.00 0.00 H new ATOM 322 N LYS A 559 15.226 -3.495 -3.000 1.00 0.00 N ATOM 323 CA LYS A 559 15.425 -3.795 -1.584 1.00 0.00 C ATOM 324 C LYS A 559 16.688 -3.123 -1.045 1.00 0.00 C ATOM 325 O LYS A 559 16.852 -2.966 0.165 1.00 0.00 O ATOM 326 CB LYS A 559 15.461 -5.322 -1.338 1.00 0.00 C ATOM 327 CG LYS A 559 16.499 -6.108 -2.155 1.00 0.00 C ATOM 328 CD LYS A 559 17.915 -5.945 -1.621 1.00 0.00 C ATOM 329 CE LYS A 559 18.088 -6.626 -0.270 1.00 0.00 C ATOM 330 NZ LYS A 559 17.896 -8.098 -0.362 1.00 0.00 N ATOM 0 H LYS A 559 15.240 -4.314 -3.608 1.00 0.00 H new ATOM 0 HA LYS A 559 14.574 -3.387 -1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 559 15.653 -5.496 -0.279 1.00 0.00 H new ATOM 0 HB3 LYS A 559 14.473 -5.729 -1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 559 16.233 -7.165 -2.151 1.00 0.00 H new ATOM 0 HG3 LYS A 559 16.466 -5.775 -3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 559 18.624 -6.366 -2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 559 18.149 -4.885 -1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 559 19.084 -6.413 0.119 1.00 0.00 H new ATOM 0 HE3 LYS A 559 17.373 -6.210 0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 559 18.294 -8.554 0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 559 16.880 -8.312 -0.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 559 18.379 -8.459 -1.210 1.00 0.00 H new ATOM 344 N GLY A 560 17.579 -2.737 -1.953 1.00 0.00 N ATOM 345 CA GLY A 560 18.783 -2.034 -1.559 1.00 0.00 C ATOM 346 C GLY A 560 18.749 -0.583 -1.984 1.00 0.00 C ATOM 347 O GLY A 560 19.697 0.167 -1.754 1.00 0.00 O ATOM 0 H GLY A 560 17.487 -2.900 -2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 560 18.901 -2.093 -0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 560 19.651 -2.523 -2.002 1.00 0.00 H new ATOM 351 N LYS A 561 17.651 -0.190 -2.614 1.00 0.00 N ATOM 352 CA LYS A 561 17.479 1.176 -3.082 1.00 0.00 C ATOM 353 C LYS A 561 16.687 1.984 -2.065 1.00 0.00 C ATOM 354 O LYS A 561 16.846 3.200 -1.953 1.00 0.00 O ATOM 355 CB LYS A 561 16.773 1.189 -4.432 1.00 0.00 C ATOM 356 CG LYS A 561 17.465 0.324 -5.464 1.00 0.00 C ATOM 357 CD LYS A 561 16.911 0.570 -6.846 1.00 0.00 C ATOM 358 CE LYS A 561 17.426 -0.458 -7.836 1.00 0.00 C ATOM 359 NZ LYS A 561 16.988 -0.165 -9.225 1.00 0.00 N ATOM 0 H LYS A 561 16.861 -0.804 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 561 18.463 1.630 -3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 561 15.747 0.843 -4.304 1.00 0.00 H new ATOM 0 HB3 LYS A 561 16.721 2.214 -4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 561 18.535 0.531 -5.457 1.00 0.00 H new ATOM 0 HG3 LYS A 561 17.342 -0.727 -5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 561 15.822 0.535 -6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 561 17.189 1.570 -7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 561 18.515 -0.484 -7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 561 17.073 -1.448 -7.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 17.362 -0.892 -9.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 15.949 -0.166 -9.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 17.346 0.768 -9.512 1.00 0.00 H new ATOM 373 N ILE A 562 15.834 1.293 -1.325 1.00 0.00 N ATOM 374 CA ILE A 562 15.041 1.913 -0.280 1.00 0.00 C ATOM 375 C ILE A 562 15.603 1.520 1.084 1.00 0.00 C ATOM 376 O ILE A 562 16.297 0.507 1.208 1.00 0.00 O ATOM 377 CB ILE A 562 13.558 1.497 -0.382 1.00 0.00 C ATOM 378 CG1 ILE A 562 12.703 2.339 0.548 1.00 0.00 C ATOM 379 CG2 ILE A 562 13.373 0.022 -0.062 1.00 0.00 C ATOM 380 CD1 ILE A 562 11.277 1.869 0.608 1.00 0.00 C ATOM 0 H ILE A 562 15.674 0.291 -1.433 1.00 0.00 H new ATOM 0 HA ILE A 562 15.093 2.995 -0.401 1.00 0.00 H new ATOM 0 HB ILE A 562 13.239 1.666 -1.410 1.00 0.00 H new ATOM 0 HG12 ILE A 562 13.132 2.316 1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 562 12.726 3.377 0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 562 12.318 -0.238 -0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 562 13.950 -0.578 -0.766 1.00 0.00 H new ATOM 0 HG23 ILE A 562 13.719 -0.176 0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 562 10.712 2.507 1.288 1.00 0.00 H new ATOM 0 HD12 ILE A 562 10.836 1.918 -0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 562 11.248 0.840 0.967 1.00 0.00 H new ATOM 392 N SER A 563 15.332 2.330 2.096 1.00 0.00 N ATOM 393 CA SER A 563 15.794 2.043 3.436 1.00 0.00 C ATOM 394 C SER A 563 14.892 1.006 4.090 1.00 0.00 C ATOM 395 O SER A 563 13.698 0.950 3.780 1.00 0.00 O ATOM 396 CB SER A 563 15.826 3.329 4.257 1.00 0.00 C ATOM 397 OG SER A 563 15.331 4.420 3.493 1.00 0.00 O ATOM 0 H SER A 563 14.793 3.192 2.010 1.00 0.00 H new ATOM 0 HA SER A 563 16.804 1.635 3.389 1.00 0.00 H new ATOM 0 HB2 SER A 563 15.226 3.207 5.159 1.00 0.00 H new ATOM 0 HB3 SER A 563 16.846 3.536 4.579 1.00 0.00 H new ATOM 0 HG SER A 563 14.352 4.425 3.526 1.00 0.00 H new ATOM 403 N GLU A 564 15.447 0.187 4.971 1.00 0.00 N ATOM 404 CA GLU A 564 14.708 -0.932 5.546 1.00 0.00 C ATOM 405 C GLU A 564 13.407 -0.461 6.180 1.00 0.00 C ATOM 406 O GLU A 564 12.351 -1.053 5.965 1.00 0.00 O ATOM 407 CB GLU A 564 15.564 -1.640 6.589 1.00 0.00 C ATOM 408 CG GLU A 564 16.958 -1.975 6.092 1.00 0.00 C ATOM 409 CD GLU A 564 17.802 -2.656 7.147 1.00 0.00 C ATOM 410 OE1 GLU A 564 18.342 -1.953 8.028 1.00 0.00 O ATOM 411 OE2 GLU A 564 17.925 -3.896 7.101 1.00 0.00 O ATOM 0 H GLU A 564 16.407 0.275 5.305 1.00 0.00 H new ATOM 0 HA GLU A 564 14.465 -1.627 4.742 1.00 0.00 H new ATOM 0 HB2 GLU A 564 15.643 -1.009 7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 564 15.065 -2.559 6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 564 16.883 -2.622 5.218 1.00 0.00 H new ATOM 0 HG3 GLU A 564 17.455 -1.060 5.769 1.00 0.00 H new ATOM 418 N ALA A 565 13.492 0.631 6.931 1.00 0.00 N ATOM 419 CA ALA A 565 12.344 1.173 7.646 1.00 0.00 C ATOM 420 C ALA A 565 11.202 1.544 6.701 1.00 0.00 C ATOM 421 O ALA A 565 10.041 1.253 6.985 1.00 0.00 O ATOM 422 CB ALA A 565 12.764 2.388 8.449 1.00 0.00 C ATOM 0 H ALA A 565 14.353 1.162 7.061 1.00 0.00 H new ATOM 0 HA ALA A 565 11.977 0.396 8.316 1.00 0.00 H new ATOM 0 HB1 ALA A 565 11.901 2.788 8.981 1.00 0.00 H new ATOM 0 HB2 ALA A 565 13.532 2.102 9.167 1.00 0.00 H new ATOM 0 HB3 ALA A 565 13.161 3.149 7.777 1.00 0.00 H new ATOM 428 N ASP A 566 11.533 2.178 5.578 1.00 0.00 N ATOM 429 CA ASP A 566 10.518 2.573 4.603 1.00 0.00 C ATOM 430 C ASP A 566 9.902 1.339 3.971 1.00 0.00 C ATOM 431 O ASP A 566 8.685 1.229 3.840 1.00 0.00 O ATOM 432 CB ASP A 566 11.117 3.467 3.511 1.00 0.00 C ATOM 433 CG ASP A 566 11.686 4.763 4.056 1.00 0.00 C ATOM 434 OD1 ASP A 566 10.912 5.723 4.258 1.00 0.00 O ATOM 435 OD2 ASP A 566 12.913 4.827 4.288 1.00 0.00 O ATOM 0 H ASP A 566 12.488 2.428 5.322 1.00 0.00 H new ATOM 0 HA ASP A 566 9.748 3.140 5.126 1.00 0.00 H new ATOM 0 HB2 ASP A 566 11.904 2.920 2.992 1.00 0.00 H new ATOM 0 HB3 ASP A 566 10.348 3.696 2.773 1.00 0.00 H new ATOM 440 N LYS A 567 10.769 0.417 3.591 1.00 0.00 N ATOM 441 CA LYS A 567 10.370 -0.876 3.065 1.00 0.00 C ATOM 442 C LYS A 567 9.423 -1.590 4.033 1.00 0.00 C ATOM 443 O LYS A 567 8.370 -2.077 3.637 1.00 0.00 O ATOM 444 CB LYS A 567 11.637 -1.700 2.856 1.00 0.00 C ATOM 445 CG LYS A 567 11.429 -3.101 2.345 1.00 0.00 C ATOM 446 CD LYS A 567 12.728 -3.879 2.450 1.00 0.00 C ATOM 447 CE LYS A 567 12.648 -5.188 1.711 1.00 0.00 C ATOM 448 NZ LYS A 567 11.688 -6.131 2.338 1.00 0.00 N ATOM 0 H LYS A 567 11.780 0.546 3.640 1.00 0.00 H new ATOM 0 HA LYS A 567 9.836 -0.749 2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 567 12.282 -1.170 2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 567 12.173 -1.755 3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 567 10.648 -3.597 2.922 1.00 0.00 H new ATOM 0 HG3 LYS A 567 11.092 -3.075 1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 567 13.545 -3.281 2.046 1.00 0.00 H new ATOM 0 HD3 LYS A 567 12.958 -4.066 3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 567 12.350 -5.002 0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 567 13.636 -5.646 1.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 11.344 -6.803 1.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 12.163 -6.652 3.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 10.884 -5.599 2.729 1.00 0.00 H new ATOM 462 N LYS A 568 9.797 -1.616 5.305 1.00 0.00 N ATOM 463 CA LYS A 568 8.997 -2.269 6.336 1.00 0.00 C ATOM 464 C LYS A 568 7.640 -1.596 6.514 1.00 0.00 C ATOM 465 O LYS A 568 6.605 -2.264 6.517 1.00 0.00 O ATOM 466 CB LYS A 568 9.738 -2.260 7.672 1.00 0.00 C ATOM 467 CG LYS A 568 10.921 -3.210 7.729 1.00 0.00 C ATOM 468 CD LYS A 568 11.632 -3.123 9.069 1.00 0.00 C ATOM 469 CE LYS A 568 10.683 -3.415 10.220 1.00 0.00 C ATOM 470 NZ LYS A 568 11.348 -3.283 11.542 1.00 0.00 N ATOM 0 H LYS A 568 10.656 -1.189 5.651 1.00 0.00 H new ATOM 0 HA LYS A 568 8.832 -3.296 6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 568 10.088 -1.248 7.875 1.00 0.00 H new ATOM 0 HB3 LYS A 568 9.038 -2.520 8.466 1.00 0.00 H new ATOM 0 HG2 LYS A 568 10.579 -4.231 7.562 1.00 0.00 H new ATOM 0 HG3 LYS A 568 11.620 -2.973 6.927 1.00 0.00 H new ATOM 0 HD2 LYS A 568 12.460 -3.831 9.090 1.00 0.00 H new ATOM 0 HD3 LYS A 568 12.060 -2.128 9.192 1.00 0.00 H new ATOM 0 HE2 LYS A 568 9.835 -2.732 10.172 1.00 0.00 H new ATOM 0 HE3 LYS A 568 10.286 -4.424 10.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 10.664 -3.491 12.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 12.142 -3.953 11.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 11.705 -2.313 11.656 1.00 0.00 H new ATOM 484 N LYS A 569 7.651 -0.274 6.652 1.00 0.00 N ATOM 485 CA LYS A 569 6.445 0.466 6.983 1.00 0.00 C ATOM 486 C LYS A 569 5.423 0.356 5.863 1.00 0.00 C ATOM 487 O LYS A 569 4.233 0.173 6.117 1.00 0.00 O ATOM 488 CB LYS A 569 6.782 1.940 7.268 1.00 0.00 C ATOM 489 CG LYS A 569 7.038 2.783 6.032 1.00 0.00 C ATOM 490 CD LYS A 569 7.526 4.163 6.416 1.00 0.00 C ATOM 491 CE LYS A 569 6.406 5.034 6.953 1.00 0.00 C ATOM 492 NZ LYS A 569 6.916 6.338 7.445 1.00 0.00 N ATOM 0 H LYS A 569 8.484 0.304 6.539 1.00 0.00 H new ATOM 0 HA LYS A 569 6.010 0.031 7.883 1.00 0.00 H new ATOM 0 HB2 LYS A 569 5.961 2.384 7.830 1.00 0.00 H new ATOM 0 HB3 LYS A 569 7.664 1.980 7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 569 7.778 2.293 5.399 1.00 0.00 H new ATOM 0 HG3 LYS A 569 6.122 2.866 5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 569 8.309 4.074 7.169 1.00 0.00 H new ATOM 0 HD3 LYS A 569 7.974 4.644 5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 569 5.668 5.204 6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 569 5.896 4.513 7.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 569 6.123 6.907 7.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 569 7.601 6.176 8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 569 7.381 6.845 6.665 1.00 0.00 H new ATOM 506 N VAL A 570 5.889 0.460 4.624 1.00 0.00 N ATOM 507 CA VAL A 570 5.000 0.374 3.486 1.00 0.00 C ATOM 508 C VAL A 570 4.475 -1.053 3.317 1.00 0.00 C ATOM 509 O VAL A 570 3.299 -1.244 3.047 1.00 0.00 O ATOM 510 CB VAL A 570 5.662 0.886 2.187 1.00 0.00 C ATOM 511 CG1 VAL A 570 6.822 0.005 1.780 1.00 0.00 C ATOM 512 CG2 VAL A 570 4.641 0.983 1.064 1.00 0.00 C ATOM 0 H VAL A 570 6.871 0.603 4.389 1.00 0.00 H new ATOM 0 HA VAL A 570 4.153 1.030 3.685 1.00 0.00 H new ATOM 0 HB VAL A 570 6.053 1.884 2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 570 7.267 0.391 0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 570 7.570 -0.000 2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 570 6.465 -1.011 1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 570 5.129 1.345 0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 570 4.212 -0.001 0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 570 3.849 1.675 1.351 1.00 0.00 H new ATOM 522 N LEU A 571 5.336 -2.052 3.513 1.00 0.00 N ATOM 523 CA LEU A 571 4.908 -3.449 3.432 1.00 0.00 C ATOM 524 C LEU A 571 3.831 -3.740 4.468 1.00 0.00 C ATOM 525 O LEU A 571 2.802 -4.340 4.155 1.00 0.00 O ATOM 526 CB LEU A 571 6.084 -4.399 3.669 1.00 0.00 C ATOM 527 CG LEU A 571 7.088 -4.535 2.531 1.00 0.00 C ATOM 528 CD1 LEU A 571 8.372 -5.158 3.050 1.00 0.00 C ATOM 529 CD2 LEU A 571 6.517 -5.389 1.417 1.00 0.00 C ATOM 0 H LEU A 571 6.325 -1.922 3.727 1.00 0.00 H new ATOM 0 HA LEU A 571 4.510 -3.610 2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 571 6.619 -4.065 4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 571 5.684 -5.388 3.891 1.00 0.00 H new ATOM 0 HG LEU A 571 7.301 -3.542 2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 571 9.087 -5.253 2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 571 8.795 -4.524 3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 571 8.158 -6.144 3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 571 7.248 -5.475 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 571 6.283 -6.381 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 571 5.608 -4.926 1.033 1.00 0.00 H new ATOM 541 N ASP A 572 4.084 -3.313 5.701 1.00 0.00 N ATOM 542 CA ASP A 572 3.144 -3.517 6.800 1.00 0.00 C ATOM 543 C ASP A 572 1.835 -2.796 6.518 1.00 0.00 C ATOM 544 O ASP A 572 0.752 -3.347 6.709 1.00 0.00 O ATOM 545 CB ASP A 572 3.743 -3.013 8.116 1.00 0.00 C ATOM 546 CG ASP A 572 2.849 -3.300 9.307 1.00 0.00 C ATOM 547 OD1 ASP A 572 2.517 -4.481 9.543 1.00 0.00 O ATOM 548 OD2 ASP A 572 2.475 -2.345 10.017 1.00 0.00 O ATOM 0 H ASP A 572 4.937 -2.821 5.966 1.00 0.00 H new ATOM 0 HA ASP A 572 2.947 -4.585 6.889 1.00 0.00 H new ATOM 0 HB2 ASP A 572 4.714 -3.482 8.273 1.00 0.00 H new ATOM 0 HB3 ASP A 572 3.916 -1.939 8.045 1.00 0.00 H new ATOM 553 N LYS A 573 1.949 -1.567 6.038 1.00 0.00 N ATOM 554 CA LYS A 573 0.793 -0.767 5.675 1.00 0.00 C ATOM 555 C LYS A 573 0.043 -1.399 4.506 1.00 0.00 C ATOM 556 O LYS A 573 -1.186 -1.444 4.498 1.00 0.00 O ATOM 557 CB LYS A 573 1.253 0.650 5.337 1.00 0.00 C ATOM 558 CG LYS A 573 0.227 1.496 4.606 1.00 0.00 C ATOM 559 CD LYS A 573 -1.085 1.593 5.350 1.00 0.00 C ATOM 560 CE LYS A 573 -2.041 2.528 4.646 1.00 0.00 C ATOM 561 NZ LYS A 573 -3.362 2.574 5.331 1.00 0.00 N ATOM 0 H LYS A 573 2.843 -1.099 5.890 1.00 0.00 H new ATOM 0 HA LYS A 573 0.102 -0.724 6.517 1.00 0.00 H new ATOM 0 HB2 LYS A 573 1.529 1.157 6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 573 2.154 0.588 4.726 1.00 0.00 H new ATOM 0 HG2 LYS A 573 0.629 2.498 4.455 1.00 0.00 H new ATOM 0 HG3 LYS A 573 0.049 1.071 3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 573 -1.534 0.603 5.433 1.00 0.00 H new ATOM 0 HD3 LYS A 573 -0.906 1.947 6.365 1.00 0.00 H new ATOM 0 HE2 LYS A 573 -1.613 3.530 4.611 1.00 0.00 H new ATOM 0 HE3 LYS A 573 -2.176 2.203 3.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 573 -4.104 2.801 4.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 573 -3.562 1.649 5.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 573 -3.344 3.304 6.071 1.00 0.00 H new ATOM 575 N CYS A 574 0.786 -1.891 3.527 1.00 0.00 N ATOM 576 CA CYS A 574 0.195 -2.580 2.392 1.00 0.00 C ATOM 577 C CYS A 574 -0.540 -3.835 2.853 1.00 0.00 C ATOM 578 O CYS A 574 -1.616 -4.149 2.358 1.00 0.00 O ATOM 579 CB CYS A 574 1.267 -2.930 1.357 1.00 0.00 C ATOM 580 SG CYS A 574 1.897 -1.512 0.430 1.00 0.00 S ATOM 0 H CYS A 574 1.803 -1.825 3.496 1.00 0.00 H new ATOM 0 HA CYS A 574 -0.528 -1.913 1.922 1.00 0.00 H new ATOM 0 HB2 CYS A 574 2.100 -3.417 1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 574 0.855 -3.654 0.655 1.00 0.00 H new ATOM 0 HG CYS A 574 1.789 -1.744 -0.845 1.00 0.00 H new ATOM 586 N GLN A 575 0.038 -4.539 3.816 1.00 0.00 N ATOM 587 CA GLN A 575 -0.611 -5.707 4.399 1.00 0.00 C ATOM 588 C GLN A 575 -1.860 -5.294 5.170 1.00 0.00 C ATOM 589 O GLN A 575 -2.867 -6.000 5.158 1.00 0.00 O ATOM 590 CB GLN A 575 0.353 -6.448 5.321 1.00 0.00 C ATOM 591 CG GLN A 575 0.799 -7.798 4.782 1.00 0.00 C ATOM 592 CD GLN A 575 -0.345 -8.784 4.654 1.00 0.00 C ATOM 593 OE1 GLN A 575 -0.665 -9.501 5.598 1.00 0.00 O ATOM 594 NE2 GLN A 575 -0.952 -8.846 3.480 1.00 0.00 N ATOM 0 H GLN A 575 0.954 -4.323 4.210 1.00 0.00 H new ATOM 0 HA GLN A 575 -0.905 -6.375 3.590 1.00 0.00 H new ATOM 0 HB2 GLN A 575 1.232 -5.826 5.489 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -0.125 -6.593 6.290 1.00 0.00 H new ATOM 0 HG2 GLN A 575 1.264 -7.659 3.806 1.00 0.00 H new ATOM 0 HG3 GLN A 575 1.560 -8.215 5.442 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -0.657 -8.233 2.720 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -1.715 -9.507 3.335 1.00 0.00 H new ATOM 603 N GLU A 576 -1.786 -4.138 5.818 1.00 0.00 N ATOM 604 CA GLU A 576 -2.914 -3.587 6.557 1.00 0.00 C ATOM 605 C GLU A 576 -4.106 -3.397 5.630 1.00 0.00 C ATOM 606 O GLU A 576 -5.185 -3.946 5.864 1.00 0.00 O ATOM 607 CB GLU A 576 -2.524 -2.244 7.181 1.00 0.00 C ATOM 608 CG GLU A 576 -3.690 -1.479 7.790 1.00 0.00 C ATOM 609 CD GLU A 576 -3.678 -0.006 7.422 1.00 0.00 C ATOM 610 OE1 GLU A 576 -3.069 0.799 8.160 1.00 0.00 O ATOM 611 OE2 GLU A 576 -4.282 0.359 6.390 1.00 0.00 O ATOM 0 H GLU A 576 -0.947 -3.559 5.846 1.00 0.00 H new ATOM 0 HA GLU A 576 -3.189 -4.284 7.349 1.00 0.00 H new ATOM 0 HB2 GLU A 576 -1.775 -2.418 7.953 1.00 0.00 H new ATOM 0 HB3 GLU A 576 -2.056 -1.623 6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 576 -4.627 -1.925 7.456 1.00 0.00 H new ATOM 0 HG3 GLU A 576 -3.658 -1.579 8.875 1.00 0.00 H new ATOM 618 N VAL A 577 -3.892 -2.642 4.563 1.00 0.00 N ATOM 619 CA VAL A 577 -4.947 -2.375 3.597 1.00 0.00 C ATOM 620 C VAL A 577 -5.357 -3.643 2.854 1.00 0.00 C ATOM 621 O VAL A 577 -6.537 -3.889 2.673 1.00 0.00 O ATOM 622 CB VAL A 577 -4.554 -1.265 2.592 1.00 0.00 C ATOM 623 CG1 VAL A 577 -3.126 -1.413 2.128 1.00 0.00 C ATOM 624 CG2 VAL A 577 -5.479 -1.259 1.387 1.00 0.00 C ATOM 0 H VAL A 577 -2.997 -2.203 4.344 1.00 0.00 H new ATOM 0 HA VAL A 577 -5.804 -2.016 4.167 1.00 0.00 H new ATOM 0 HB VAL A 577 -4.652 -0.316 3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 577 -2.888 -0.616 1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 577 -2.456 -1.352 2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 577 -3.001 -2.379 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 577 -5.177 -0.468 0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 577 -5.422 -2.222 0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 577 -6.503 -1.082 1.715 1.00 0.00 H new ATOM 634 N ILE A 578 -4.390 -4.454 2.447 1.00 0.00 N ATOM 635 CA ILE A 578 -4.683 -5.675 1.699 1.00 0.00 C ATOM 636 C ILE A 578 -5.539 -6.652 2.519 1.00 0.00 C ATOM 637 O ILE A 578 -6.491 -7.242 1.997 1.00 0.00 O ATOM 638 CB ILE A 578 -3.385 -6.346 1.191 1.00 0.00 C ATOM 639 CG1 ILE A 578 -2.902 -5.626 -0.074 1.00 0.00 C ATOM 640 CG2 ILE A 578 -3.599 -7.827 0.917 1.00 0.00 C ATOM 641 CD1 ILE A 578 -1.472 -5.923 -0.435 1.00 0.00 C ATOM 0 H ILE A 578 -3.398 -4.292 2.620 1.00 0.00 H new ATOM 0 HA ILE A 578 -5.270 -5.390 0.826 1.00 0.00 H new ATOM 0 HB ILE A 578 -2.623 -6.265 1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 578 -3.544 -5.909 -0.909 1.00 0.00 H new ATOM 0 HG13 ILE A 578 -3.016 -4.551 0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 578 -2.668 -8.269 0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 578 -3.910 -8.326 1.835 1.00 0.00 H new ATOM 0 HG23 ILE A 578 -4.372 -7.949 0.158 1.00 0.00 H new ATOM 0 HD11 ILE A 578 -1.204 -5.378 -1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 578 -0.819 -5.614 0.381 1.00 0.00 H new ATOM 0 HD13 ILE A 578 -1.355 -6.993 -0.608 1.00 0.00 H new ATOM 653 N SER A 579 -5.225 -6.797 3.803 1.00 0.00 N ATOM 654 CA SER A 579 -6.011 -7.658 4.684 1.00 0.00 C ATOM 655 C SER A 579 -7.370 -7.014 4.982 1.00 0.00 C ATOM 656 O SER A 579 -8.351 -7.700 5.277 1.00 0.00 O ATOM 657 CB SER A 579 -5.247 -7.933 5.983 1.00 0.00 C ATOM 658 OG SER A 579 -5.901 -8.916 6.770 1.00 0.00 O ATOM 0 H SER A 579 -4.437 -6.333 4.255 1.00 0.00 H new ATOM 0 HA SER A 579 -6.183 -8.609 4.180 1.00 0.00 H new ATOM 0 HB2 SER A 579 -4.236 -8.266 5.749 1.00 0.00 H new ATOM 0 HB3 SER A 579 -5.154 -7.010 6.555 1.00 0.00 H new ATOM 0 HG SER A 579 -5.389 -9.071 7.591 1.00 0.00 H new ATOM 664 N TRP A 580 -7.410 -5.692 4.897 1.00 0.00 N ATOM 665 CA TRP A 580 -8.637 -4.933 5.084 1.00 0.00 C ATOM 666 C TRP A 580 -9.505 -5.021 3.829 1.00 0.00 C ATOM 667 O TRP A 580 -10.720 -5.137 3.912 1.00 0.00 O ATOM 668 CB TRP A 580 -8.294 -3.471 5.410 1.00 0.00 C ATOM 669 CG TRP A 580 -9.473 -2.548 5.386 1.00 0.00 C ATOM 670 CD1 TRP A 580 -10.286 -2.219 6.432 1.00 0.00 C ATOM 671 CD2 TRP A 580 -9.970 -1.834 4.252 1.00 0.00 C ATOM 672 NE1 TRP A 580 -11.261 -1.348 6.014 1.00 0.00 N ATOM 673 CE2 TRP A 580 -11.088 -1.099 4.679 1.00 0.00 C ATOM 674 CE3 TRP A 580 -9.577 -1.750 2.913 1.00 0.00 C ATOM 675 CZ2 TRP A 580 -11.816 -0.294 3.814 1.00 0.00 C ATOM 676 CZ3 TRP A 580 -10.302 -0.948 2.057 1.00 0.00 C ATOM 677 CH2 TRP A 580 -11.409 -0.228 2.510 1.00 0.00 C ATOM 0 H TRP A 580 -6.593 -5.116 4.696 1.00 0.00 H new ATOM 0 HA TRP A 580 -9.200 -5.353 5.917 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -7.832 -3.428 6.397 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -7.552 -3.115 4.695 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -10.178 -2.590 7.441 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -11.994 -0.951 6.602 1.00 0.00 H new ATOM 0 HE3 TRP A 580 -8.721 -2.303 2.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -12.675 0.262 4.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 -10.009 -0.876 1.020 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -11.955 0.394 1.816 1.00 0.00 H new ATOM 688 N LEU A 581 -8.862 -4.970 2.671 1.00 0.00 N ATOM 689 CA LEU A 581 -9.540 -5.109 1.384 1.00 0.00 C ATOM 690 C LEU A 581 -10.303 -6.414 1.333 1.00 0.00 C ATOM 691 O LEU A 581 -11.455 -6.465 0.916 1.00 0.00 O ATOM 692 CB LEU A 581 -8.518 -5.106 0.258 1.00 0.00 C ATOM 693 CG LEU A 581 -7.828 -3.778 0.002 1.00 0.00 C ATOM 694 CD1 LEU A 581 -6.550 -4.009 -0.771 1.00 0.00 C ATOM 695 CD2 LEU A 581 -8.751 -2.862 -0.761 1.00 0.00 C ATOM 0 H LEU A 581 -7.854 -4.831 2.594 1.00 0.00 H new ATOM 0 HA LEU A 581 -10.230 -4.273 1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 581 -7.757 -5.854 0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 581 -9.015 -5.420 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 581 -7.580 -3.307 0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 581 -6.057 -3.054 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 581 -5.888 -4.655 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 581 -6.782 -4.485 -1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 581 -8.251 -1.910 -0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 581 -9.013 -3.321 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 581 -9.657 -2.691 -0.179 1.00 0.00 H new ATOM 707 N ASP A 582 -9.633 -7.465 1.776 1.00 0.00 N ATOM 708 CA ASP A 582 -10.199 -8.804 1.793 1.00 0.00 C ATOM 709 C ASP A 582 -11.373 -8.881 2.763 1.00 0.00 C ATOM 710 O ASP A 582 -12.246 -9.739 2.639 1.00 0.00 O ATOM 711 CB ASP A 582 -9.114 -9.808 2.191 1.00 0.00 C ATOM 712 CG ASP A 582 -9.606 -11.236 2.195 1.00 0.00 C ATOM 713 OD1 ASP A 582 -9.845 -11.788 1.104 1.00 0.00 O ATOM 714 OD2 ASP A 582 -9.726 -11.824 3.290 1.00 0.00 O ATOM 0 H ASP A 582 -8.680 -7.414 2.135 1.00 0.00 H new ATOM 0 HA ASP A 582 -10.569 -9.046 0.797 1.00 0.00 H new ATOM 0 HB2 ASP A 582 -8.275 -9.720 1.501 1.00 0.00 H new ATOM 0 HB3 ASP A 582 -8.739 -9.556 3.183 1.00 0.00 H new ATOM 719 N ALA A 583 -11.394 -7.959 3.711 1.00 0.00 N ATOM 720 CA ALA A 583 -12.396 -7.961 4.761 1.00 0.00 C ATOM 721 C ALA A 583 -13.550 -7.006 4.459 1.00 0.00 C ATOM 722 O ALA A 583 -14.699 -7.274 4.816 1.00 0.00 O ATOM 723 CB ALA A 583 -11.739 -7.583 6.073 1.00 0.00 C ATOM 0 H ALA A 583 -10.722 -7.194 3.774 1.00 0.00 H new ATOM 0 HA ALA A 583 -12.818 -8.964 4.824 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -12.486 -7.582 6.867 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -10.958 -8.305 6.310 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -11.300 -6.589 5.987 1.00 0.00 H new ATOM 729 N ASN A 584 -13.240 -5.913 3.776 1.00 0.00 N ATOM 730 CA ASN A 584 -14.216 -4.865 3.498 1.00 0.00 C ATOM 731 C ASN A 584 -14.328 -4.618 2.003 1.00 0.00 C ATOM 732 O ASN A 584 -14.165 -3.496 1.531 1.00 0.00 O ATOM 733 CB ASN A 584 -13.835 -3.573 4.229 1.00 0.00 C ATOM 734 CG ASN A 584 -13.912 -3.725 5.737 1.00 0.00 C ATOM 735 OD1 ASN A 584 -12.940 -4.118 6.386 1.00 0.00 O ATOM 736 ND2 ASN A 584 -15.066 -3.414 6.310 1.00 0.00 N ATOM 0 H ASN A 584 -12.310 -5.727 3.400 1.00 0.00 H new ATOM 0 HA ASN A 584 -15.188 -5.196 3.863 1.00 0.00 H new ATOM 0 HB2 ASN A 584 -12.823 -3.282 3.946 1.00 0.00 H new ATOM 0 HB3 ASN A 584 -14.499 -2.769 3.912 1.00 0.00 H new ATOM 0 HD21 ASN A 584 -15.172 -3.496 7.321 1.00 0.00 H new ATOM 0 HD22 ASN A 584 -15.848 -3.092 5.740 1.00 0.00 H new ATOM 743 N THR A 585 -14.608 -5.680 1.257 1.00 0.00 N ATOM 744 CA THR A 585 -14.860 -5.569 -0.174 1.00 0.00 C ATOM 745 C THR A 585 -16.153 -4.811 -0.428 1.00 0.00 C ATOM 746 O THR A 585 -16.370 -4.246 -1.499 1.00 0.00 O ATOM 747 CB THR A 585 -14.961 -6.964 -0.819 1.00 0.00 C ATOM 748 OG1 THR A 585 -15.740 -7.830 0.012 1.00 0.00 O ATOM 749 CG2 THR A 585 -13.592 -7.572 -1.006 1.00 0.00 C ATOM 0 H THR A 585 -14.666 -6.631 1.621 1.00 0.00 H new ATOM 0 HA THR A 585 -14.026 -5.027 -0.619 1.00 0.00 H new ATOM 0 HB THR A 585 -15.437 -6.850 -1.793 1.00 0.00 H new ATOM 0 HG1 THR A 585 -15.802 -8.715 -0.405 1.00 0.00 H new ATOM 0 HG21 THR A 585 -13.691 -8.557 -1.463 1.00 0.00 H new ATOM 0 HG22 THR A 585 -12.994 -6.930 -1.653 1.00 0.00 H new ATOM 0 HG23 THR A 585 -13.102 -7.669 -0.037 1.00 0.00 H new ATOM 757 N LEU A 586 -16.997 -4.796 0.587 1.00 0.00 N ATOM 758 CA LEU A 586 -18.311 -4.201 0.491 1.00 0.00 C ATOM 759 C LEU A 586 -18.265 -2.735 0.904 1.00 0.00 C ATOM 760 O LEU A 586 -19.299 -2.077 0.996 1.00 0.00 O ATOM 761 CB LEU A 586 -19.303 -4.970 1.370 1.00 0.00 C ATOM 762 CG LEU A 586 -19.480 -6.466 1.054 1.00 0.00 C ATOM 763 CD1 LEU A 586 -19.666 -6.681 -0.439 1.00 0.00 C ATOM 764 CD2 LEU A 586 -18.302 -7.288 1.554 1.00 0.00 C ATOM 0 H LEU A 586 -16.788 -5.197 1.501 1.00 0.00 H new ATOM 0 HA LEU A 586 -18.643 -4.256 -0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 586 -18.984 -4.875 2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 586 -20.277 -4.486 1.290 1.00 0.00 H new ATOM 0 HG LEU A 586 -20.375 -6.804 1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 586 -19.789 -7.745 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 586 -20.552 -6.143 -0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 586 -18.791 -6.310 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 586 -18.463 -8.339 1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 586 -17.387 -6.942 1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 586 -18.211 -7.174 2.634 1.00 0.00 H new ATOM 776 N ALA A 587 -17.060 -2.237 1.161 1.00 0.00 N ATOM 777 CA ALA A 587 -16.868 -0.835 1.513 1.00 0.00 C ATOM 778 C ALA A 587 -17.307 0.067 0.365 1.00 0.00 C ATOM 779 O ALA A 587 -17.356 -0.361 -0.791 1.00 0.00 O ATOM 780 CB ALA A 587 -15.409 -0.566 1.842 1.00 0.00 C ATOM 0 H ALA A 587 -16.200 -2.785 1.132 1.00 0.00 H new ATOM 0 HA ALA A 587 -17.477 -0.618 2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 587 -15.283 0.485 2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 587 -15.105 -1.188 2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 587 -14.791 -0.802 0.976 1.00 0.00 H new ATOM 786 N GLU A 588 -17.629 1.313 0.684 1.00 0.00 N ATOM 787 CA GLU A 588 -17.979 2.282 -0.341 1.00 0.00 C ATOM 788 C GLU A 588 -16.727 2.746 -1.060 1.00 0.00 C ATOM 789 O GLU A 588 -15.615 2.531 -0.573 1.00 0.00 O ATOM 790 CB GLU A 588 -18.708 3.502 0.235 1.00 0.00 C ATOM 791 CG GLU A 588 -20.141 3.242 0.687 1.00 0.00 C ATOM 792 CD GLU A 588 -20.244 2.345 1.900 1.00 0.00 C ATOM 793 OE1 GLU A 588 -19.769 2.740 2.981 1.00 0.00 O ATOM 794 OE2 GLU A 588 -20.811 1.239 1.782 1.00 0.00 O ATOM 0 H GLU A 588 -17.655 1.673 1.638 1.00 0.00 H new ATOM 0 HA GLU A 588 -18.656 1.784 -1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -18.138 3.880 1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -18.718 4.290 -0.518 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -20.621 4.195 0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -20.696 2.790 -0.136 1.00 0.00 H new ATOM 801 N LYS A 589 -16.905 3.405 -2.189 1.00 0.00 N ATOM 802 CA LYS A 589 -15.773 3.853 -2.995 1.00 0.00 C ATOM 803 C LYS A 589 -14.831 4.732 -2.178 1.00 0.00 C ATOM 804 O LYS A 589 -13.615 4.547 -2.209 1.00 0.00 O ATOM 805 CB LYS A 589 -16.263 4.627 -4.218 1.00 0.00 C ATOM 806 CG LYS A 589 -17.357 5.635 -3.911 1.00 0.00 C ATOM 807 CD LYS A 589 -17.718 6.467 -5.128 1.00 0.00 C ATOM 808 CE LYS A 589 -18.265 5.594 -6.241 1.00 0.00 C ATOM 809 NZ LYS A 589 -18.780 6.397 -7.379 1.00 0.00 N ATOM 0 H LYS A 589 -17.819 3.644 -2.573 1.00 0.00 H new ATOM 0 HA LYS A 589 -15.227 2.968 -3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 589 -15.418 5.148 -4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 589 -16.633 3.919 -4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 589 -18.243 5.111 -3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 589 -17.029 6.293 -3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 589 -18.459 7.218 -4.853 1.00 0.00 H new ATOM 0 HD3 LYS A 589 -16.837 7.003 -5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 589 -17.481 4.925 -6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 589 -19.066 4.967 -5.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 -19.144 5.760 -8.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 -19.546 7.017 -7.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 -18.011 6.977 -7.771 1.00 0.00 H new ATOM 823 N ASP A 590 -15.407 5.656 -1.419 1.00 0.00 N ATOM 824 CA ASP A 590 -14.627 6.612 -0.635 1.00 0.00 C ATOM 825 C ASP A 590 -13.777 5.920 0.425 1.00 0.00 C ATOM 826 O ASP A 590 -12.739 6.446 0.820 1.00 0.00 O ATOM 827 CB ASP A 590 -15.532 7.640 0.048 1.00 0.00 C ATOM 828 CG ASP A 590 -16.400 8.417 -0.922 1.00 0.00 C ATOM 829 OD1 ASP A 590 -15.942 9.449 -1.449 1.00 0.00 O ATOM 830 OD2 ASP A 590 -17.553 7.999 -1.151 1.00 0.00 O ATOM 0 H ASP A 590 -16.417 5.766 -1.328 1.00 0.00 H new ATOM 0 HA ASP A 590 -13.967 7.119 -1.339 1.00 0.00 H new ATOM 0 HB2 ASP A 590 -16.172 7.129 0.767 1.00 0.00 H new ATOM 0 HB3 ASP A 590 -14.914 8.339 0.612 1.00 0.00 H new ATOM 835 N GLU A 591 -14.209 4.746 0.889 1.00 0.00 N ATOM 836 CA GLU A 591 -13.453 4.018 1.891 1.00 0.00 C ATOM 837 C GLU A 591 -12.127 3.576 1.285 1.00 0.00 C ATOM 838 O GLU A 591 -11.066 3.713 1.896 1.00 0.00 O ATOM 839 CB GLU A 591 -14.238 2.801 2.391 1.00 0.00 C ATOM 840 CG GLU A 591 -13.637 2.169 3.629 1.00 0.00 C ATOM 841 CD GLU A 591 -13.384 3.164 4.746 1.00 0.00 C ATOM 842 OE1 GLU A 591 -14.322 3.894 5.125 1.00 0.00 O ATOM 843 OE2 GLU A 591 -12.248 3.207 5.264 1.00 0.00 O ATOM 0 H GLU A 591 -15.069 4.289 0.587 1.00 0.00 H new ATOM 0 HA GLU A 591 -13.270 4.671 2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -15.263 3.102 2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -14.284 2.056 1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -14.306 1.388 3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -12.697 1.685 3.362 1.00 0.00 H new ATOM 850 N PHE A 592 -12.199 3.074 0.058 1.00 0.00 N ATOM 851 CA PHE A 592 -11.005 2.686 -0.673 1.00 0.00 C ATOM 852 C PHE A 592 -10.231 3.925 -1.092 1.00 0.00 C ATOM 853 O PHE A 592 -9.014 3.961 -0.993 1.00 0.00 O ATOM 854 CB PHE A 592 -11.356 1.861 -1.910 1.00 0.00 C ATOM 855 CG PHE A 592 -12.129 0.611 -1.615 1.00 0.00 C ATOM 856 CD1 PHE A 592 -11.472 -0.547 -1.254 1.00 0.00 C ATOM 857 CD2 PHE A 592 -13.509 0.595 -1.705 1.00 0.00 C ATOM 858 CE1 PHE A 592 -12.178 -1.707 -0.982 1.00 0.00 C ATOM 859 CE2 PHE A 592 -14.221 -0.556 -1.436 1.00 0.00 C ATOM 860 CZ PHE A 592 -13.555 -1.709 -1.074 1.00 0.00 C ATOM 0 H PHE A 592 -13.072 2.927 -0.449 1.00 0.00 H new ATOM 0 HA PHE A 592 -10.391 2.072 -0.014 1.00 0.00 H new ATOM 0 HB2 PHE A 592 -11.936 2.481 -2.594 1.00 0.00 H new ATOM 0 HB3 PHE A 592 -10.435 1.592 -2.427 1.00 0.00 H new ATOM 0 HD1 PHE A 592 -10.394 -0.549 -1.183 1.00 0.00 H new ATOM 0 HD2 PHE A 592 -14.036 1.494 -1.989 1.00 0.00 H new ATOM 0 HE1 PHE A 592 -11.653 -2.607 -0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 592 -15.299 -0.554 -1.509 1.00 0.00 H new ATOM 0 HZ PHE A 592 -14.110 -2.611 -0.863 1.00 0.00 H new ATOM 870 N GLU A 593 -10.952 4.956 -1.516 1.00 0.00 N ATOM 871 CA GLU A 593 -10.332 6.200 -1.958 1.00 0.00 C ATOM 872 C GLU A 593 -9.479 6.793 -0.844 1.00 0.00 C ATOM 873 O GLU A 593 -8.360 7.251 -1.078 1.00 0.00 O ATOM 874 CB GLU A 593 -11.414 7.197 -2.372 1.00 0.00 C ATOM 875 CG GLU A 593 -12.058 6.883 -3.713 1.00 0.00 C ATOM 876 CD GLU A 593 -11.092 7.054 -4.868 1.00 0.00 C ATOM 877 OE1 GLU A 593 -10.663 8.202 -5.120 1.00 0.00 O ATOM 878 OE2 GLU A 593 -10.751 6.048 -5.521 1.00 0.00 O ATOM 0 H GLU A 593 -11.971 4.955 -1.563 1.00 0.00 H new ATOM 0 HA GLU A 593 -9.690 5.989 -2.813 1.00 0.00 H new ATOM 0 HB2 GLU A 593 -12.188 7.219 -1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 593 -10.978 8.195 -2.414 1.00 0.00 H new ATOM 0 HG2 GLU A 593 -12.432 5.859 -3.703 1.00 0.00 H new ATOM 0 HG3 GLU A 593 -12.919 7.535 -3.862 1.00 0.00 H new ATOM 885 N HIS A 594 -10.000 6.752 0.371 1.00 0.00 N ATOM 886 CA HIS A 594 -9.263 7.223 1.532 1.00 0.00 C ATOM 887 C HIS A 594 -8.128 6.262 1.867 1.00 0.00 C ATOM 888 O HIS A 594 -7.045 6.690 2.264 1.00 0.00 O ATOM 889 CB HIS A 594 -10.198 7.381 2.732 1.00 0.00 C ATOM 890 CG HIS A 594 -9.529 7.935 3.952 1.00 0.00 C ATOM 891 ND1 HIS A 594 -9.167 7.160 5.030 1.00 0.00 N ATOM 892 CD2 HIS A 594 -9.155 9.198 4.260 1.00 0.00 C ATOM 893 CE1 HIS A 594 -8.603 7.920 5.945 1.00 0.00 C ATOM 894 NE2 HIS A 594 -8.582 9.162 5.506 1.00 0.00 N ATOM 0 H HIS A 594 -10.933 6.396 0.579 1.00 0.00 H new ATOM 0 HA HIS A 594 -8.835 8.197 1.297 1.00 0.00 H new ATOM 0 HB2 HIS A 594 -11.024 8.036 2.453 1.00 0.00 H new ATOM 0 HB3 HIS A 594 -10.629 6.410 2.975 1.00 0.00 H new ATOM 0 HD1 HIS A 594 -9.313 6.154 5.108 1.00 0.00 H new ATOM 0 HD2 HIS A 594 -9.284 10.073 3.640 1.00 0.00 H new ATOM 0 HE1 HIS A 594 -8.221 7.582 6.897 1.00 0.00 H new ATOM 903 N LYS A 595 -8.376 4.966 1.698 1.00 0.00 N ATOM 904 CA LYS A 595 -7.363 3.958 1.946 1.00 0.00 C ATOM 905 C LYS A 595 -6.198 4.146 0.991 1.00 0.00 C ATOM 906 O LYS A 595 -5.039 3.936 1.351 1.00 0.00 O ATOM 907 CB LYS A 595 -7.943 2.562 1.762 1.00 0.00 C ATOM 908 CG LYS A 595 -7.166 1.507 2.525 1.00 0.00 C ATOM 909 CD LYS A 595 -7.162 1.820 4.011 1.00 0.00 C ATOM 910 CE LYS A 595 -8.570 1.892 4.581 1.00 0.00 C ATOM 911 NZ LYS A 595 -8.596 2.538 5.919 1.00 0.00 N ATOM 0 H LYS A 595 -9.274 4.594 1.389 1.00 0.00 H new ATOM 0 HA LYS A 595 -7.015 4.067 2.973 1.00 0.00 H new ATOM 0 HB2 LYS A 595 -8.981 2.556 2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 595 -7.947 2.310 0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 595 -7.610 0.526 2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 595 -6.142 1.462 2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 595 -6.595 1.055 4.541 1.00 0.00 H new ATOM 0 HD3 LYS A 595 -6.653 2.769 4.180 1.00 0.00 H new ATOM 0 HE2 LYS A 595 -9.210 2.449 3.897 1.00 0.00 H new ATOM 0 HE3 LYS A 595 -8.983 0.886 4.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 -9.559 2.491 6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 -7.940 2.043 6.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 -8.307 3.533 5.830 1.00 0.00 H new ATOM 925 N ARG A 596 -6.530 4.533 -0.232 1.00 0.00 N ATOM 926 CA ARG A 596 -5.539 4.834 -1.244 1.00 0.00 C ATOM 927 C ARG A 596 -4.661 5.972 -0.756 1.00 0.00 C ATOM 928 O ARG A 596 -3.442 5.866 -0.770 1.00 0.00 O ATOM 929 CB ARG A 596 -6.226 5.203 -2.559 1.00 0.00 C ATOM 930 CG ARG A 596 -5.348 5.020 -3.785 1.00 0.00 C ATOM 931 CD ARG A 596 -6.187 4.964 -5.052 1.00 0.00 C ATOM 932 NE ARG A 596 -6.922 6.206 -5.276 1.00 0.00 N ATOM 933 CZ ARG A 596 -7.297 6.641 -6.477 1.00 0.00 C ATOM 934 NH1 ARG A 596 -7.004 5.941 -7.563 1.00 0.00 N ATOM 935 NH2 ARG A 596 -7.966 7.777 -6.594 1.00 0.00 N ATOM 0 H ARG A 596 -7.494 4.646 -0.546 1.00 0.00 H new ATOM 0 HA ARG A 596 -4.917 3.957 -1.423 1.00 0.00 H new ATOM 0 HB2 ARG A 596 -7.123 4.594 -2.672 1.00 0.00 H new ATOM 0 HB3 ARG A 596 -6.551 6.242 -2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 596 -4.635 5.842 -3.852 1.00 0.00 H new ATOM 0 HG3 ARG A 596 -4.768 4.102 -3.688 1.00 0.00 H new ATOM 0 HD2 ARG A 596 -5.540 4.766 -5.907 1.00 0.00 H new ATOM 0 HD3 ARG A 596 -6.890 4.134 -4.985 1.00 0.00 H new ATOM 0 HE ARG A 596 -7.162 6.774 -4.464 1.00 0.00 H new ATOM 0 HH11 ARG A 596 -6.489 5.064 -7.481 1.00 0.00 H new ATOM 0 HH12 ARG A 596 -7.294 6.279 -8.481 1.00 0.00 H new ATOM 0 HH21 ARG A 596 -8.196 8.322 -5.763 1.00 0.00 H new ATOM 0 HH22 ARG A 596 -8.252 8.108 -7.515 1.00 0.00 H new ATOM 949 N LYS A 597 -5.306 7.035 -0.274 1.00 0.00 N ATOM 950 CA LYS A 597 -4.601 8.186 0.286 1.00 0.00 C ATOM 951 C LYS A 597 -3.669 7.751 1.409 1.00 0.00 C ATOM 952 O LYS A 597 -2.529 8.201 1.495 1.00 0.00 O ATOM 953 CB LYS A 597 -5.591 9.222 0.828 1.00 0.00 C ATOM 954 CG LYS A 597 -6.610 9.700 -0.188 1.00 0.00 C ATOM 955 CD LYS A 597 -5.943 10.175 -1.461 1.00 0.00 C ATOM 956 CE LYS A 597 -6.960 10.588 -2.501 1.00 0.00 C ATOM 957 NZ LYS A 597 -7.747 11.778 -2.082 1.00 0.00 N ATOM 0 H LYS A 597 -6.322 7.122 -0.261 1.00 0.00 H new ATOM 0 HA LYS A 597 -4.016 8.636 -0.516 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -6.118 8.793 1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -5.033 10.082 1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -7.302 8.891 -0.419 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -7.199 10.511 0.240 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -5.288 11.017 -1.237 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -5.314 9.380 -1.862 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -6.449 10.805 -3.439 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -7.638 9.756 -2.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -8.320 12.115 -2.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -8.373 11.520 -1.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -7.100 12.533 -1.778 1.00 0.00 H new ATOM 971 N GLU A 598 -4.169 6.868 2.263 1.00 0.00 N ATOM 972 CA GLU A 598 -3.387 6.319 3.362 1.00 0.00 C ATOM 973 C GLU A 598 -2.157 5.585 2.840 1.00 0.00 C ATOM 974 O GLU A 598 -1.026 5.855 3.253 1.00 0.00 O ATOM 975 CB GLU A 598 -4.235 5.345 4.171 1.00 0.00 C ATOM 976 CG GLU A 598 -5.324 5.996 4.994 1.00 0.00 C ATOM 977 CD GLU A 598 -6.222 4.967 5.653 1.00 0.00 C ATOM 978 OE1 GLU A 598 -5.718 4.189 6.490 1.00 0.00 O ATOM 979 OE2 GLU A 598 -7.428 4.924 5.340 1.00 0.00 O ATOM 0 H GLU A 598 -5.124 6.513 2.214 1.00 0.00 H new ATOM 0 HA GLU A 598 -3.067 7.148 3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -4.692 4.628 3.489 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -3.582 4.781 4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -4.873 6.628 5.759 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -5.923 6.646 4.356 1.00 0.00 H new ATOM 986 N LEU A 599 -2.397 4.649 1.931 1.00 0.00 N ATOM 987 CA LEU A 599 -1.339 3.839 1.348 1.00 0.00 C ATOM 988 C LEU A 599 -0.333 4.743 0.629 1.00 0.00 C ATOM 989 O LEU A 599 0.877 4.566 0.754 1.00 0.00 O ATOM 990 CB LEU A 599 -1.959 2.809 0.386 1.00 0.00 C ATOM 991 CG LEU A 599 -1.088 1.602 0.007 1.00 0.00 C ATOM 992 CD1 LEU A 599 0.066 2.014 -0.885 1.00 0.00 C ATOM 993 CD2 LEU A 599 -0.573 0.885 1.243 1.00 0.00 C ATOM 0 H LEU A 599 -3.329 4.431 1.579 1.00 0.00 H new ATOM 0 HA LEU A 599 -0.805 3.300 2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -2.879 2.436 0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -2.239 3.327 -0.531 1.00 0.00 H new ATOM 0 HG LEU A 599 -1.719 0.910 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.663 1.137 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -0.323 2.461 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 599 0.689 2.740 -0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 599 0.040 0.036 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 599 0.027 1.573 1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -1.416 0.532 1.836 1.00 0.00 H new ATOM 1005 N GLU A 600 -0.841 5.724 -0.107 1.00 0.00 N ATOM 1006 CA GLU A 600 0.011 6.687 -0.800 1.00 0.00 C ATOM 1007 C GLU A 600 0.927 7.406 0.180 1.00 0.00 C ATOM 1008 O GLU A 600 2.111 7.551 -0.077 1.00 0.00 O ATOM 1009 CB GLU A 600 -0.821 7.713 -1.574 1.00 0.00 C ATOM 1010 CG GLU A 600 -1.599 7.118 -2.735 1.00 0.00 C ATOM 1011 CD GLU A 600 -2.394 8.152 -3.504 1.00 0.00 C ATOM 1012 OE1 GLU A 600 -3.545 8.434 -3.120 1.00 0.00 O ATOM 1013 OE2 GLU A 600 -1.873 8.683 -4.509 1.00 0.00 O ATOM 0 H GLU A 600 -1.841 5.875 -0.241 1.00 0.00 H new ATOM 0 HA GLU A 600 0.619 6.127 -1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 600 -1.519 8.193 -0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 600 -0.160 8.492 -1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 600 -0.906 6.622 -3.414 1.00 0.00 H new ATOM 0 HG3 GLU A 600 -2.277 6.353 -2.357 1.00 0.00 H new ATOM 1020 N GLN A 601 0.383 7.841 1.310 1.00 0.00 N ATOM 1021 CA GLN A 601 1.172 8.558 2.304 1.00 0.00 C ATOM 1022 C GLN A 601 2.246 7.673 2.935 1.00 0.00 C ATOM 1023 O GLN A 601 3.277 8.178 3.368 1.00 0.00 O ATOM 1024 CB GLN A 601 0.277 9.145 3.392 1.00 0.00 C ATOM 1025 CG GLN A 601 -0.736 10.143 2.864 1.00 0.00 C ATOM 1026 CD GLN A 601 -1.609 10.724 3.957 1.00 0.00 C ATOM 1027 OE1 GLN A 601 -1.265 11.733 4.573 1.00 0.00 O ATOM 1028 NE2 GLN A 601 -2.747 10.095 4.202 1.00 0.00 N ATOM 0 H GLN A 601 -0.597 7.711 1.560 1.00 0.00 H new ATOM 0 HA GLN A 601 1.675 9.370 1.779 1.00 0.00 H new ATOM 0 HB2 GLN A 601 -0.250 8.334 3.895 1.00 0.00 H new ATOM 0 HB3 GLN A 601 0.900 9.633 4.141 1.00 0.00 H new ATOM 0 HG2 GLN A 601 -0.212 10.952 2.355 1.00 0.00 H new ATOM 0 HG3 GLN A 601 -1.367 9.655 2.121 1.00 0.00 H new ATOM 0 HE21 GLN A 601 -2.994 9.262 3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 601 -3.377 10.443 4.925 1.00 0.00 H new ATOM 1037 N VAL A 602 2.015 6.365 3.004 1.00 0.00 N ATOM 1038 CA VAL A 602 3.025 5.466 3.558 1.00 0.00 C ATOM 1039 C VAL A 602 4.160 5.232 2.549 1.00 0.00 C ATOM 1040 O VAL A 602 5.330 5.205 2.919 1.00 0.00 O ATOM 1041 CB VAL A 602 2.430 4.107 4.018 1.00 0.00 C ATOM 1042 CG1 VAL A 602 2.330 3.112 2.879 1.00 0.00 C ATOM 1043 CG2 VAL A 602 3.249 3.520 5.157 1.00 0.00 C ATOM 0 H VAL A 602 1.157 5.910 2.691 1.00 0.00 H new ATOM 0 HA VAL A 602 3.427 5.959 4.443 1.00 0.00 H new ATOM 0 HB VAL A 602 1.418 4.305 4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 602 1.909 2.177 3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 602 1.686 3.517 2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 602 3.323 2.926 2.470 1.00 0.00 H new ATOM 0 HG21 VAL A 602 2.815 2.568 5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 602 4.274 3.361 4.823 1.00 0.00 H new ATOM 0 HG23 VAL A 602 3.245 4.210 6.001 1.00 0.00 H new ATOM 1053 N CYS A 603 3.800 5.074 1.276 1.00 0.00 N ATOM 1054 CA CYS A 603 4.773 4.794 0.224 1.00 0.00 C ATOM 1055 C CYS A 603 5.434 6.077 -0.288 1.00 0.00 C ATOM 1056 O CYS A 603 6.555 6.044 -0.767 1.00 0.00 O ATOM 1057 CB CYS A 603 4.113 4.028 -0.929 1.00 0.00 C ATOM 1058 SG CYS A 603 2.635 4.820 -1.599 1.00 0.00 S ATOM 0 H CYS A 603 2.836 5.136 0.948 1.00 0.00 H new ATOM 0 HA CYS A 603 5.556 4.170 0.655 1.00 0.00 H new ATOM 0 HB2 CYS A 603 4.840 3.905 -1.731 1.00 0.00 H new ATOM 0 HB3 CYS A 603 3.850 3.029 -0.582 1.00 0.00 H new ATOM 0 HG CYS A 603 1.610 4.527 -0.855 1.00 0.00 H new ATOM 1064 N ASN A 604 4.730 7.202 -0.188 1.00 0.00 N ATOM 1065 CA ASN A 604 5.224 8.490 -0.700 1.00 0.00 C ATOM 1066 C ASN A 604 6.650 8.815 -0.221 1.00 0.00 C ATOM 1067 O ASN A 604 7.519 9.095 -1.050 1.00 0.00 O ATOM 1068 CB ASN A 604 4.266 9.628 -0.312 1.00 0.00 C ATOM 1069 CG ASN A 604 4.798 11.001 -0.679 1.00 0.00 C ATOM 1070 OD1 ASN A 604 5.441 11.182 -1.713 1.00 0.00 O ATOM 1071 ND2 ASN A 604 4.549 11.973 0.186 1.00 0.00 N ATOM 0 H ASN A 604 3.808 7.253 0.245 1.00 0.00 H new ATOM 0 HA ASN A 604 5.262 8.399 -1.786 1.00 0.00 H new ATOM 0 HB2 ASN A 604 3.307 9.472 -0.805 1.00 0.00 H new ATOM 0 HB3 ASN A 604 4.082 9.591 0.762 1.00 0.00 H new ATOM 0 HD21 ASN A 604 4.895 12.916 0.007 1.00 0.00 H new ATOM 0 HD22 ASN A 604 4.012 11.779 1.031 1.00 0.00 H new ATOM 1078 N PRO A 605 6.936 8.782 1.101 1.00 0.00 N ATOM 1079 CA PRO A 605 8.283 9.077 1.620 1.00 0.00 C ATOM 1080 C PRO A 605 9.337 8.115 1.084 1.00 0.00 C ATOM 1081 O PRO A 605 10.532 8.413 1.079 1.00 0.00 O ATOM 1082 CB PRO A 605 8.131 8.906 3.131 1.00 0.00 C ATOM 1083 CG PRO A 605 6.684 9.107 3.377 1.00 0.00 C ATOM 1084 CD PRO A 605 6.003 8.478 2.203 1.00 0.00 C ATOM 0 HA PRO A 605 8.622 10.069 1.320 1.00 0.00 H new ATOM 0 HB2 PRO A 605 8.456 7.917 3.454 1.00 0.00 H new ATOM 0 HB3 PRO A 605 8.732 9.633 3.676 1.00 0.00 H new ATOM 0 HG2 PRO A 605 6.373 8.639 4.311 1.00 0.00 H new ATOM 0 HG3 PRO A 605 6.440 10.166 3.454 1.00 0.00 H new ATOM 0 HD2 PRO A 605 5.868 7.405 2.338 1.00 0.00 H new ATOM 0 HD3 PRO A 605 5.015 8.904 2.029 1.00 0.00 H new ATOM 1092 N ILE A 606 8.880 6.958 0.640 1.00 0.00 N ATOM 1093 CA ILE A 606 9.753 5.936 0.104 1.00 0.00 C ATOM 1094 C ILE A 606 9.888 6.093 -1.421 1.00 0.00 C ATOM 1095 O ILE A 606 10.983 5.993 -1.971 1.00 0.00 O ATOM 1096 CB ILE A 606 9.231 4.528 0.495 1.00 0.00 C ATOM 1097 CG1 ILE A 606 8.644 3.795 -0.709 1.00 0.00 C ATOM 1098 CG2 ILE A 606 8.202 4.627 1.618 1.00 0.00 C ATOM 1099 CD1 ILE A 606 7.705 2.672 -0.340 1.00 0.00 C ATOM 0 H ILE A 606 7.892 6.703 0.642 1.00 0.00 H new ATOM 0 HA ILE A 606 10.748 6.052 0.534 1.00 0.00 H new ATOM 0 HB ILE A 606 10.081 3.948 0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 606 8.111 4.511 -1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 606 9.459 3.392 -1.310 1.00 0.00 H new ATOM 0 HG21 ILE A 606 7.849 3.629 1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 606 8.661 5.088 2.493 1.00 0.00 H new ATOM 0 HG23 ILE A 606 7.360 5.235 1.287 1.00 0.00 H new ATOM 0 HD11 ILE A 606 7.329 2.199 -1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 606 8.238 1.934 0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 606 6.869 3.071 0.235 1.00 0.00 H new ATOM 1111 N ILE A 607 8.767 6.388 -2.083 1.00 0.00 N ATOM 1112 CA ILE A 607 8.710 6.541 -3.535 1.00 0.00 C ATOM 1113 C ILE A 607 9.470 7.788 -3.991 1.00 0.00 C ATOM 1114 O ILE A 607 10.027 7.818 -5.088 1.00 0.00 O ATOM 1115 CB ILE A 607 7.229 6.587 -4.023 1.00 0.00 C ATOM 1116 CG1 ILE A 607 6.799 5.225 -4.587 1.00 0.00 C ATOM 1117 CG2 ILE A 607 6.995 7.682 -5.052 1.00 0.00 C ATOM 1118 CD1 ILE A 607 6.793 4.106 -3.570 1.00 0.00 C ATOM 0 H ILE A 607 7.868 6.528 -1.622 1.00 0.00 H new ATOM 0 HA ILE A 607 9.195 5.674 -3.984 1.00 0.00 H new ATOM 0 HB ILE A 607 6.616 6.821 -3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 607 5.800 5.320 -5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 607 7.469 4.955 -5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 607 5.950 7.674 -5.361 1.00 0.00 H new ATOM 0 HG22 ILE A 607 7.236 8.651 -4.614 1.00 0.00 H new ATOM 0 HG23 ILE A 607 7.631 7.508 -5.920 1.00 0.00 H new ATOM 0 HD11 ILE A 607 6.478 3.180 -4.050 1.00 0.00 H new ATOM 0 HD12 ILE A 607 7.796 3.980 -3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 607 6.101 4.351 -2.764 1.00 0.00 H new ATOM 1130 N SER A 608 9.520 8.802 -3.134 1.00 0.00 N ATOM 1131 CA SER A 608 10.212 10.045 -3.458 1.00 0.00 C ATOM 1132 C SER A 608 11.726 9.837 -3.561 1.00 0.00 C ATOM 1133 O SER A 608 12.453 10.706 -4.040 1.00 0.00 O ATOM 1134 CB SER A 608 9.879 11.110 -2.415 1.00 0.00 C ATOM 1135 OG SER A 608 9.881 10.560 -1.109 1.00 0.00 O ATOM 0 H SER A 608 9.090 8.788 -2.209 1.00 0.00 H new ATOM 0 HA SER A 608 9.867 10.384 -4.435 1.00 0.00 H new ATOM 0 HB2 SER A 608 10.605 11.921 -2.473 1.00 0.00 H new ATOM 0 HB3 SER A 608 8.902 11.542 -2.630 1.00 0.00 H new ATOM 0 HG SER A 608 9.015 10.138 -0.930 1.00 0.00 H new ATOM 1141 N GLY A 609 12.191 8.678 -3.117 1.00 0.00 N ATOM 1142 CA GLY A 609 13.594 8.346 -3.243 1.00 0.00 C ATOM 1143 C GLY A 609 13.798 7.137 -4.131 1.00 0.00 C ATOM 1144 O GLY A 609 14.858 6.505 -4.106 1.00 0.00 O ATOM 0 H GLY A 609 11.619 7.961 -2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 609 14.135 9.198 -3.655 1.00 0.00 H new ATOM 0 HA3 GLY A 609 14.013 8.149 -2.256 1.00 0.00 H new ATOM 1148 N LEU A 610 12.770 6.815 -4.909 1.00 0.00 N ATOM 1149 CA LEU A 610 12.791 5.663 -5.793 1.00 0.00 C ATOM 1150 C LEU A 610 12.462 6.081 -7.225 1.00 0.00 C ATOM 1151 O LEU A 610 11.369 5.725 -7.719 1.00 0.00 O ATOM 1152 CB LEU A 610 11.779 4.621 -5.309 1.00 0.00 C ATOM 1153 CG LEU A 610 12.110 3.946 -3.976 1.00 0.00 C ATOM 1154 CD1 LEU A 610 10.982 3.019 -3.560 1.00 0.00 C ATOM 1155 CD2 LEU A 610 13.426 3.185 -4.067 1.00 0.00 C ATOM 1156 OXT LEU A 610 13.285 6.783 -7.846 1.00 0.00 O ATOM 0 H LEU A 610 11.901 7.347 -4.942 1.00 0.00 H new ATOM 0 HA LEU A 610 13.791 5.229 -5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 610 10.805 5.101 -5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 610 11.686 3.849 -6.073 1.00 0.00 H new ATOM 0 HG LEU A 610 12.220 4.720 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 610 11.231 2.546 -2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 610 10.062 3.593 -3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 610 10.842 2.252 -4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 610 13.641 2.714 -3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 610 13.351 2.419 -4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 610 14.230 3.877 -4.319 1.00 0.00 H new