USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 585 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 550 LYS NZ :NH3+ 146:sc= 0.446 (180deg=-0.0211) USER MOD Set 1.2: A 575 GLN : amide:sc= -0.647 K(o=-0.2,f=-6.5!) USER MOD Single : A 537 SER OG : rot 30:sc= 0.0895 USER MOD Single : A 539 LYS NZ :NH3+ -133:sc= -2.07 (180deg=-3.37!) USER MOD Single : A 540 ASN : amide:sc= -0.0154 K(o=-0.015,f=-1.5) USER MOD Single : A 544 SER OG : rot 84:sc= 0.928 USER MOD Single : A 545 TYR OH : rot 180:sc= -0.0112 USER MOD Single : A 548 ASN : amide:sc= -0.286 K(o=-0.29,f=-1.8!) USER MOD Single : A 549 MET CE :methyl 140:sc= -0.648 (180deg=-2.42!) USER MOD Single : A 551 SER OG : rot 62:sc= 1.24 USER MOD Single : A 559 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 561 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 563 SER OG : rot 180:sc= 0 USER MOD Single : A 567 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 LYS NZ :NH3+ -162:sc= 0.847 (180deg=0.64) USER MOD Single : A 573 LYS NZ :NH3+ 139:sc= -2.59! (180deg=-2.81!) USER MOD Single : A 574 CYS SG : rot -125:sc= -5.09! USER MOD Single : A 579 SER OG : rot 73:sc= 1.26 USER MOD Single : A 584 ASN : amide:sc= 0.0408 X(o=0.041,f=0) USER MOD Single : A 585 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 589 LYS NZ :NH3+ 153:sc= 1.12 (180deg=0.244) USER MOD Single : A 594 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 595 LYS NZ :NH3+ -179:sc= 1.43! (180deg=1.42!) USER MOD Single : A 597 LYS NZ :NH3+ -179:sc= 1.19 (180deg=1.13) USER MOD Single : A 601 GLN : amide:sc= -1.53! K(o=-1.5!,f=-0.074) USER MOD Single : A 603 CYS SG : rot -79:sc= -2.37! USER MOD Single : A 604 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 608 SER OG : rot 79:sc= 0.362 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 537 -13.934 0.470 -9.969 1.00 0.00 N ATOM 2 CA SER A 537 -13.062 -0.648 -9.558 1.00 0.00 C ATOM 3 C SER A 537 -12.084 -0.191 -8.481 1.00 0.00 C ATOM 4 O SER A 537 -10.876 -0.426 -8.580 1.00 0.00 O ATOM 5 CB SER A 537 -12.303 -1.189 -10.770 1.00 0.00 C ATOM 6 OG SER A 537 -13.204 -1.620 -11.776 1.00 0.00 O ATOM 0 HA SER A 537 -13.681 -1.444 -9.145 1.00 0.00 H new ATOM 0 HB2 SER A 537 -11.648 -0.415 -11.170 1.00 0.00 H new ATOM 0 HB3 SER A 537 -11.666 -2.020 -10.465 1.00 0.00 H new ATOM 0 HG SER A 537 -14.027 -1.091 -11.726 1.00 0.00 H new ATOM 12 N ALA A 538 -12.615 0.458 -7.448 1.00 0.00 N ATOM 13 CA ALA A 538 -11.788 0.981 -6.371 1.00 0.00 C ATOM 14 C ALA A 538 -11.048 -0.137 -5.652 1.00 0.00 C ATOM 15 O ALA A 538 -9.906 0.039 -5.254 1.00 0.00 O ATOM 16 CB ALA A 538 -12.628 1.778 -5.383 1.00 0.00 C ATOM 0 H ALA A 538 -13.614 0.633 -7.337 1.00 0.00 H new ATOM 0 HA ALA A 538 -11.049 1.647 -6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -11.989 2.159 -4.587 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -13.102 2.613 -5.899 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -13.396 1.133 -4.955 1.00 0.00 H new ATOM 22 N LYS A 539 -11.692 -1.291 -5.508 1.00 0.00 N ATOM 23 CA LYS A 539 -11.086 -2.422 -4.812 1.00 0.00 C ATOM 24 C LYS A 539 -9.824 -2.870 -5.548 1.00 0.00 C ATOM 25 O LYS A 539 -8.767 -3.033 -4.935 1.00 0.00 O ATOM 26 CB LYS A 539 -12.099 -3.580 -4.703 1.00 0.00 C ATOM 27 CG LYS A 539 -11.725 -4.687 -3.720 1.00 0.00 C ATOM 28 CD LYS A 539 -10.541 -5.493 -4.201 1.00 0.00 C ATOM 29 CE LYS A 539 -10.335 -6.754 -3.384 1.00 0.00 C ATOM 30 NZ LYS A 539 -10.360 -6.505 -1.920 1.00 0.00 N ATOM 0 H LYS A 539 -12.632 -1.468 -5.863 1.00 0.00 H new ATOM 0 HA LYS A 539 -10.807 -2.116 -3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 539 -13.065 -3.169 -4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 539 -12.227 -4.023 -5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 539 -11.495 -4.248 -2.749 1.00 0.00 H new ATOM 0 HG3 LYS A 539 -12.580 -5.348 -3.576 1.00 0.00 H new ATOM 0 HD2 LYS A 539 -10.687 -5.760 -5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 539 -9.642 -4.879 -4.151 1.00 0.00 H new ATOM 0 HE2 LYS A 539 -11.111 -7.476 -3.638 1.00 0.00 H new ATOM 0 HE3 LYS A 539 -9.380 -7.204 -3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 539 -9.554 -6.986 -1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 539 -10.296 -5.483 -1.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 539 -11.248 -6.871 -1.521 1.00 0.00 H new ATOM 44 N ASN A 540 -9.938 -3.045 -6.862 1.00 0.00 N ATOM 45 CA ASN A 540 -8.815 -3.513 -7.672 1.00 0.00 C ATOM 46 C ASN A 540 -7.683 -2.502 -7.656 1.00 0.00 C ATOM 47 O ASN A 540 -6.530 -2.854 -7.415 1.00 0.00 O ATOM 48 CB ASN A 540 -9.239 -3.759 -9.125 1.00 0.00 C ATOM 49 CG ASN A 540 -10.181 -4.928 -9.305 1.00 0.00 C ATOM 50 OD1 ASN A 540 -10.892 -5.333 -8.387 1.00 0.00 O ATOM 51 ND2 ASN A 540 -10.214 -5.446 -10.516 1.00 0.00 N ATOM 0 H ASN A 540 -10.794 -2.870 -7.388 1.00 0.00 H new ATOM 0 HA ASN A 540 -8.475 -4.453 -7.237 1.00 0.00 H new ATOM 0 HB2 ASN A 540 -9.717 -2.858 -9.510 1.00 0.00 H new ATOM 0 HB3 ASN A 540 -8.347 -3.929 -9.728 1.00 0.00 H new ATOM 0 HD21 ASN A 540 -10.849 -6.217 -10.724 1.00 0.00 H new ATOM 0 HD22 ASN A 540 -9.605 -5.076 -11.246 1.00 0.00 H new ATOM 58 N ALA A 541 -8.023 -1.239 -7.888 1.00 0.00 N ATOM 59 CA ALA A 541 -7.034 -0.170 -7.904 1.00 0.00 C ATOM 60 C ALA A 541 -6.371 -0.036 -6.544 1.00 0.00 C ATOM 61 O ALA A 541 -5.185 0.271 -6.448 1.00 0.00 O ATOM 62 CB ALA A 541 -7.679 1.148 -8.302 1.00 0.00 C ATOM 0 H ALA A 541 -8.979 -0.931 -8.068 1.00 0.00 H new ATOM 0 HA ALA A 541 -6.272 -0.423 -8.641 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -6.925 1.935 -8.308 1.00 0.00 H new ATOM 0 HB2 ALA A 541 -8.114 1.054 -9.297 1.00 0.00 H new ATOM 0 HB3 ALA A 541 -8.461 1.401 -7.586 1.00 0.00 H new ATOM 68 N LEU A 542 -7.149 -0.270 -5.502 1.00 0.00 N ATOM 69 CA LEU A 542 -6.673 -0.142 -4.145 1.00 0.00 C ATOM 70 C LEU A 542 -5.724 -1.283 -3.783 1.00 0.00 C ATOM 71 O LEU A 542 -4.635 -1.045 -3.255 1.00 0.00 O ATOM 72 CB LEU A 542 -7.876 -0.110 -3.200 1.00 0.00 C ATOM 73 CG LEU A 542 -7.620 0.508 -1.835 1.00 0.00 C ATOM 74 CD1 LEU A 542 -6.935 -0.475 -0.924 1.00 0.00 C ATOM 75 CD2 LEU A 542 -6.769 1.744 -1.989 1.00 0.00 C ATOM 0 H LEU A 542 -8.126 -0.553 -5.577 1.00 0.00 H new ATOM 0 HA LEU A 542 -6.110 0.786 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 542 -8.682 0.442 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 542 -8.230 -1.131 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 542 -8.578 0.779 -1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 542 -6.762 -0.011 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 542 -7.566 -1.355 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 542 -5.981 -0.771 -1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 542 -6.587 2.185 -1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 542 -5.818 1.476 -2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 542 -7.287 2.466 -2.621 1.00 0.00 H new ATOM 87 N GLU A 543 -6.121 -2.516 -4.080 1.00 0.00 N ATOM 88 CA GLU A 543 -5.302 -3.665 -3.754 1.00 0.00 C ATOM 89 C GLU A 543 -4.042 -3.660 -4.587 1.00 0.00 C ATOM 90 O GLU A 543 -2.946 -3.843 -4.068 1.00 0.00 O ATOM 91 CB GLU A 543 -6.058 -4.962 -3.996 1.00 0.00 C ATOM 92 CG GLU A 543 -5.763 -6.000 -2.931 1.00 0.00 C ATOM 93 CD GLU A 543 -6.401 -7.340 -3.215 1.00 0.00 C ATOM 94 OE1 GLU A 543 -5.884 -8.081 -4.075 1.00 0.00 O ATOM 95 OE2 GLU A 543 -7.428 -7.659 -2.575 1.00 0.00 O ATOM 0 H GLU A 543 -7.002 -2.739 -4.544 1.00 0.00 H new ATOM 0 HA GLU A 543 -5.044 -3.601 -2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -7.129 -4.759 -4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -5.790 -5.361 -4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -4.684 -6.129 -2.847 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -6.116 -5.633 -1.967 1.00 0.00 H new ATOM 102 N SER A 544 -4.212 -3.436 -5.880 1.00 0.00 N ATOM 103 CA SER A 544 -3.083 -3.359 -6.792 1.00 0.00 C ATOM 104 C SER A 544 -2.116 -2.269 -6.349 1.00 0.00 C ATOM 105 O SER A 544 -0.911 -2.423 -6.471 1.00 0.00 O ATOM 106 CB SER A 544 -3.562 -3.096 -8.220 1.00 0.00 C ATOM 107 OG SER A 544 -4.430 -4.128 -8.664 1.00 0.00 O ATOM 0 H SER A 544 -5.122 -3.304 -6.322 1.00 0.00 H new ATOM 0 HA SER A 544 -2.561 -4.316 -6.774 1.00 0.00 H new ATOM 0 HB2 SER A 544 -4.079 -2.137 -8.263 1.00 0.00 H new ATOM 0 HB3 SER A 544 -2.704 -3.025 -8.888 1.00 0.00 H new ATOM 0 HG SER A 544 -5.340 -3.948 -8.350 1.00 0.00 H new ATOM 113 N TYR A 545 -2.651 -1.179 -5.810 1.00 0.00 N ATOM 114 CA TYR A 545 -1.827 -0.080 -5.329 1.00 0.00 C ATOM 115 C TYR A 545 -0.959 -0.549 -4.165 1.00 0.00 C ATOM 116 O TYR A 545 0.258 -0.352 -4.169 1.00 0.00 O ATOM 117 CB TYR A 545 -2.723 1.081 -4.878 1.00 0.00 C ATOM 118 CG TYR A 545 -2.017 2.412 -4.752 1.00 0.00 C ATOM 119 CD1 TYR A 545 -0.984 2.592 -3.848 1.00 0.00 C ATOM 120 CD2 TYR A 545 -2.392 3.488 -5.542 1.00 0.00 C ATOM 121 CE1 TYR A 545 -0.336 3.804 -3.734 1.00 0.00 C ATOM 122 CE2 TYR A 545 -1.752 4.708 -5.436 1.00 0.00 C ATOM 123 CZ TYR A 545 -0.721 4.861 -4.531 1.00 0.00 C ATOM 124 OH TYR A 545 -0.076 6.074 -4.425 1.00 0.00 O ATOM 0 H TYR A 545 -3.654 -1.034 -5.696 1.00 0.00 H new ATOM 0 HA TYR A 545 -1.180 0.260 -6.137 1.00 0.00 H new ATOM 0 HB2 TYR A 545 -3.543 1.186 -5.588 1.00 0.00 H new ATOM 0 HB3 TYR A 545 -3.166 0.827 -3.915 1.00 0.00 H new ATOM 0 HD1 TYR A 545 -0.680 1.768 -3.220 1.00 0.00 H new ATOM 0 HD2 TYR A 545 -3.197 3.371 -6.252 1.00 0.00 H new ATOM 0 HE1 TYR A 545 0.469 3.925 -3.024 1.00 0.00 H new ATOM 0 HE2 TYR A 545 -2.057 5.537 -6.058 1.00 0.00 H new ATOM 0 HH TYR A 545 -0.470 6.710 -5.058 1.00 0.00 H new ATOM 134 N ALA A 546 -1.583 -1.190 -3.181 1.00 0.00 N ATOM 135 CA ALA A 546 -0.857 -1.681 -2.025 1.00 0.00 C ATOM 136 C ALA A 546 0.098 -2.793 -2.434 1.00 0.00 C ATOM 137 O ALA A 546 1.250 -2.831 -2.000 1.00 0.00 O ATOM 138 CB ALA A 546 -1.827 -2.155 -0.954 1.00 0.00 C ATOM 0 H ALA A 546 -2.585 -1.379 -3.165 1.00 0.00 H new ATOM 0 HA ALA A 546 -0.266 -0.866 -1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 546 -1.268 -2.521 -0.093 1.00 0.00 H new ATOM 0 HB2 ALA A 546 -2.464 -1.326 -0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 546 -2.445 -2.959 -1.353 1.00 0.00 H new ATOM 144 N PHE A 547 -0.386 -3.688 -3.288 1.00 0.00 N ATOM 145 CA PHE A 547 0.441 -4.751 -3.841 1.00 0.00 C ATOM 146 C PHE A 547 1.648 -4.163 -4.562 1.00 0.00 C ATOM 147 O PHE A 547 2.759 -4.664 -4.439 1.00 0.00 O ATOM 148 CB PHE A 547 -0.362 -5.610 -4.817 1.00 0.00 C ATOM 149 CG PHE A 547 -0.920 -6.878 -4.225 1.00 0.00 C ATOM 150 CD1 PHE A 547 -1.989 -6.848 -3.347 1.00 0.00 C ATOM 151 CD2 PHE A 547 -0.375 -8.107 -4.566 1.00 0.00 C ATOM 152 CE1 PHE A 547 -2.507 -8.020 -2.819 1.00 0.00 C ATOM 153 CE2 PHE A 547 -0.885 -9.279 -4.041 1.00 0.00 C ATOM 154 CZ PHE A 547 -1.951 -9.236 -3.165 1.00 0.00 C ATOM 0 H PHE A 547 -1.353 -3.697 -3.613 1.00 0.00 H new ATOM 0 HA PHE A 547 0.781 -5.376 -3.015 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -1.186 -5.015 -5.211 1.00 0.00 H new ATOM 0 HB3 PHE A 547 0.276 -5.869 -5.662 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -2.425 -5.900 -3.070 1.00 0.00 H new ATOM 0 HD2 PHE A 547 0.459 -8.148 -5.251 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -3.344 -7.982 -2.138 1.00 0.00 H new ATOM 0 HE2 PHE A 547 -0.450 -10.228 -4.316 1.00 0.00 H new ATOM 0 HZ PHE A 547 -2.349 -10.151 -2.751 1.00 0.00 H new ATOM 164 N ASN A 548 1.413 -3.087 -5.304 1.00 0.00 N ATOM 165 CA ASN A 548 2.458 -2.424 -6.080 1.00 0.00 C ATOM 166 C ASN A 548 3.548 -1.845 -5.192 1.00 0.00 C ATOM 167 O ASN A 548 4.730 -2.077 -5.434 1.00 0.00 O ATOM 168 CB ASN A 548 1.858 -1.319 -6.960 1.00 0.00 C ATOM 169 CG ASN A 548 1.376 -1.833 -8.303 1.00 0.00 C ATOM 170 OD1 ASN A 548 1.899 -2.814 -8.834 1.00 0.00 O ATOM 171 ND2 ASN A 548 0.379 -1.169 -8.868 1.00 0.00 N ATOM 0 H ASN A 548 0.495 -2.649 -5.386 1.00 0.00 H new ATOM 0 HA ASN A 548 2.915 -3.183 -6.716 1.00 0.00 H new ATOM 0 HB2 ASN A 548 1.024 -0.854 -6.434 1.00 0.00 H new ATOM 0 HB3 ASN A 548 2.606 -0.543 -7.121 1.00 0.00 H new ATOM 0 HD21 ASN A 548 0.018 -1.465 -9.775 1.00 0.00 H new ATOM 0 HD22 ASN A 548 -0.028 -0.361 -8.396 1.00 0.00 H new ATOM 178 N MET A 549 3.162 -1.095 -4.163 1.00 0.00 N ATOM 179 CA MET A 549 4.137 -0.489 -3.263 1.00 0.00 C ATOM 180 C MET A 549 4.896 -1.572 -2.513 1.00 0.00 C ATOM 181 O MET A 549 6.114 -1.499 -2.336 1.00 0.00 O ATOM 182 CB MET A 549 3.431 0.433 -2.277 1.00 0.00 C ATOM 183 CG MET A 549 2.531 1.469 -2.936 1.00 0.00 C ATOM 184 SD MET A 549 3.421 2.717 -3.893 1.00 0.00 S ATOM 185 CE MET A 549 3.593 1.890 -5.470 1.00 0.00 C ATOM 0 H MET A 549 2.189 -0.894 -3.933 1.00 0.00 H new ATOM 0 HA MET A 549 4.845 0.096 -3.849 1.00 0.00 H new ATOM 0 HB2 MET A 549 2.834 -0.171 -1.594 1.00 0.00 H new ATOM 0 HB3 MET A 549 4.180 0.947 -1.675 1.00 0.00 H new ATOM 0 HG2 MET A 549 1.826 0.958 -3.592 1.00 0.00 H new ATOM 0 HG3 MET A 549 1.944 1.968 -2.165 1.00 0.00 H new ATOM 0 HE1 MET A 549 3.433 2.606 -6.276 1.00 0.00 H new ATOM 0 HE2 MET A 549 4.595 1.468 -5.552 1.00 0.00 H new ATOM 0 HE3 MET A 549 2.856 1.091 -5.544 1.00 0.00 H new ATOM 195 N LYS A 550 4.153 -2.577 -2.091 1.00 0.00 N ATOM 196 CA LYS A 550 4.712 -3.744 -1.431 1.00 0.00 C ATOM 197 C LYS A 550 5.702 -4.468 -2.344 1.00 0.00 C ATOM 198 O LYS A 550 6.797 -4.823 -1.921 1.00 0.00 O ATOM 199 CB LYS A 550 3.560 -4.656 -0.995 1.00 0.00 C ATOM 200 CG LYS A 550 3.935 -6.093 -0.688 1.00 0.00 C ATOM 201 CD LYS A 550 2.843 -6.758 0.134 1.00 0.00 C ATOM 202 CE LYS A 550 3.031 -6.500 1.622 1.00 0.00 C ATOM 203 NZ LYS A 550 3.683 -7.657 2.297 1.00 0.00 N ATOM 0 H LYS A 550 3.139 -2.608 -2.196 1.00 0.00 H new ATOM 0 HA LYS A 550 5.275 -3.439 -0.549 1.00 0.00 H new ATOM 0 HB2 LYS A 550 3.096 -4.224 -0.108 1.00 0.00 H new ATOM 0 HB3 LYS A 550 2.805 -4.657 -1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 550 4.087 -6.643 -1.617 1.00 0.00 H new ATOM 0 HG3 LYS A 550 4.879 -6.121 -0.143 1.00 0.00 H new ATOM 0 HD2 LYS A 550 1.869 -6.383 -0.181 1.00 0.00 H new ATOM 0 HD3 LYS A 550 2.847 -7.832 -0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 550 3.637 -5.605 1.764 1.00 0.00 H new ATOM 0 HE3 LYS A 550 2.063 -6.306 2.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 4.296 -7.312 3.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 2.954 -8.284 2.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 4.255 -8.184 1.607 1.00 0.00 H new ATOM 217 N SER A 551 5.322 -4.657 -3.599 1.00 0.00 N ATOM 218 CA SER A 551 6.180 -5.302 -4.576 1.00 0.00 C ATOM 219 C SER A 551 7.418 -4.460 -4.880 1.00 0.00 C ATOM 220 O SER A 551 8.499 -4.996 -5.091 1.00 0.00 O ATOM 221 CB SER A 551 5.388 -5.561 -5.854 1.00 0.00 C ATOM 222 OG SER A 551 4.312 -6.456 -5.611 1.00 0.00 O ATOM 0 H SER A 551 4.415 -4.369 -3.965 1.00 0.00 H new ATOM 0 HA SER A 551 6.524 -6.249 -4.159 1.00 0.00 H new ATOM 0 HB2 SER A 551 5.002 -4.619 -6.244 1.00 0.00 H new ATOM 0 HB3 SER A 551 6.047 -5.976 -6.617 1.00 0.00 H new ATOM 0 HG SER A 551 3.697 -6.059 -4.959 1.00 0.00 H new ATOM 228 N ALA A 552 7.248 -3.140 -4.900 1.00 0.00 N ATOM 229 CA ALA A 552 8.335 -2.225 -5.238 1.00 0.00 C ATOM 230 C ALA A 552 9.457 -2.274 -4.204 1.00 0.00 C ATOM 231 O ALA A 552 10.632 -2.346 -4.557 1.00 0.00 O ATOM 232 CB ALA A 552 7.806 -0.807 -5.376 1.00 0.00 C ATOM 0 H ALA A 552 6.364 -2.679 -4.685 1.00 0.00 H new ATOM 0 HA ALA A 552 8.752 -2.545 -6.193 1.00 0.00 H new ATOM 0 HB1 ALA A 552 8.627 -0.135 -5.628 1.00 0.00 H new ATOM 0 HB2 ALA A 552 7.055 -0.774 -6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 552 7.357 -0.493 -4.434 1.00 0.00 H new ATOM 238 N VAL A 553 9.096 -2.246 -2.931 1.00 0.00 N ATOM 239 CA VAL A 553 10.090 -2.270 -1.862 1.00 0.00 C ATOM 240 C VAL A 553 10.656 -3.666 -1.672 1.00 0.00 C ATOM 241 O VAL A 553 11.839 -3.842 -1.385 1.00 0.00 O ATOM 242 CB VAL A 553 9.492 -1.785 -0.538 1.00 0.00 C ATOM 243 CG1 VAL A 553 8.996 -0.365 -0.705 1.00 0.00 C ATOM 244 CG2 VAL A 553 8.367 -2.704 -0.071 1.00 0.00 C ATOM 0 H VAL A 553 8.128 -2.207 -2.611 1.00 0.00 H new ATOM 0 HA VAL A 553 10.893 -1.596 -2.158 1.00 0.00 H new ATOM 0 HB VAL A 553 10.266 -1.807 0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 553 8.569 -0.016 0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 553 9.828 0.280 -0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 553 8.233 -0.335 -1.483 1.00 0.00 H new ATOM 0 HG21 VAL A 553 7.962 -2.334 0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 553 7.578 -2.723 -0.822 1.00 0.00 H new ATOM 0 HG23 VAL A 553 8.756 -3.712 0.072 1.00 0.00 H new ATOM 254 N GLU A 554 9.796 -4.654 -1.843 1.00 0.00 N ATOM 255 CA GLU A 554 10.175 -6.045 -1.700 1.00 0.00 C ATOM 256 C GLU A 554 10.780 -6.581 -2.987 1.00 0.00 C ATOM 257 O GLU A 554 11.105 -7.760 -3.085 1.00 0.00 O ATOM 258 CB GLU A 554 8.950 -6.859 -1.296 1.00 0.00 C ATOM 259 CG GLU A 554 9.033 -7.417 0.110 1.00 0.00 C ATOM 260 CD GLU A 554 9.826 -8.708 0.188 1.00 0.00 C ATOM 261 OE1 GLU A 554 9.529 -9.647 -0.582 1.00 0.00 O ATOM 262 OE2 GLU A 554 10.758 -8.789 1.018 1.00 0.00 O ATOM 0 H GLU A 554 8.815 -4.513 -2.085 1.00 0.00 H new ATOM 0 HA GLU A 554 10.935 -6.129 -0.924 1.00 0.00 H new ATOM 0 HB2 GLU A 554 8.063 -6.231 -1.377 1.00 0.00 H new ATOM 0 HB3 GLU A 554 8.823 -7.683 -1.999 1.00 0.00 H new ATOM 0 HG2 GLU A 554 9.492 -6.675 0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 554 8.025 -7.593 0.486 1.00 0.00 H new ATOM 269 N ASP A 555 10.929 -5.713 -3.973 1.00 0.00 N ATOM 270 CA ASP A 555 11.572 -6.088 -5.222 1.00 0.00 C ATOM 271 C ASP A 555 13.028 -6.431 -4.969 1.00 0.00 C ATOM 272 O ASP A 555 13.738 -5.706 -4.269 1.00 0.00 O ATOM 273 CB ASP A 555 11.477 -4.963 -6.250 1.00 0.00 C ATOM 274 CG ASP A 555 12.147 -5.321 -7.559 1.00 0.00 C ATOM 275 OD1 ASP A 555 11.572 -6.111 -8.334 1.00 0.00 O ATOM 276 OD2 ASP A 555 13.259 -4.822 -7.815 1.00 0.00 O ATOM 0 H ASP A 555 10.614 -4.744 -3.934 1.00 0.00 H new ATOM 0 HA ASP A 555 11.055 -6.960 -5.622 1.00 0.00 H new ATOM 0 HB2 ASP A 555 10.428 -4.730 -6.433 1.00 0.00 H new ATOM 0 HB3 ASP A 555 11.938 -4.063 -5.843 1.00 0.00 H new ATOM 281 N GLU A 556 13.462 -7.545 -5.524 1.00 0.00 N ATOM 282 CA GLU A 556 14.809 -8.047 -5.295 1.00 0.00 C ATOM 283 C GLU A 556 15.876 -7.191 -5.979 1.00 0.00 C ATOM 284 O GLU A 556 17.071 -7.398 -5.772 1.00 0.00 O ATOM 285 CB GLU A 556 14.909 -9.498 -5.750 1.00 0.00 C ATOM 286 CG GLU A 556 14.484 -9.730 -7.191 1.00 0.00 C ATOM 287 CD GLU A 556 14.201 -11.189 -7.480 1.00 0.00 C ATOM 288 OE1 GLU A 556 13.053 -11.628 -7.266 1.00 0.00 O ATOM 289 OE2 GLU A 556 15.128 -11.908 -7.910 1.00 0.00 O ATOM 0 H GLU A 556 12.898 -8.127 -6.143 1.00 0.00 H new ATOM 0 HA GLU A 556 15.001 -7.991 -4.224 1.00 0.00 H new ATOM 0 HB2 GLU A 556 15.938 -9.835 -5.628 1.00 0.00 H new ATOM 0 HB3 GLU A 556 14.292 -10.115 -5.097 1.00 0.00 H new ATOM 0 HG2 GLU A 556 13.592 -9.140 -7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 556 15.268 -9.375 -7.860 1.00 0.00 H new ATOM 296 N GLY A 557 15.450 -6.242 -6.791 1.00 0.00 N ATOM 297 CA GLY A 557 16.390 -5.333 -7.409 1.00 0.00 C ATOM 298 C GLY A 557 16.405 -3.993 -6.711 1.00 0.00 C ATOM 299 O GLY A 557 17.459 -3.378 -6.544 1.00 0.00 O ATOM 0 H GLY A 557 14.472 -6.083 -7.034 1.00 0.00 H new ATOM 0 HA2 GLY A 557 17.389 -5.769 -7.384 1.00 0.00 H new ATOM 0 HA3 GLY A 557 16.128 -5.195 -8.458 1.00 0.00 H new ATOM 303 N LEU A 558 15.229 -3.550 -6.294 1.00 0.00 N ATOM 304 CA LEU A 558 15.081 -2.278 -5.599 1.00 0.00 C ATOM 305 C LEU A 558 15.443 -2.390 -4.123 1.00 0.00 C ATOM 306 O LEU A 558 15.541 -1.376 -3.433 1.00 0.00 O ATOM 307 CB LEU A 558 13.657 -1.749 -5.757 1.00 0.00 C ATOM 308 CG LEU A 558 13.403 -0.950 -7.035 1.00 0.00 C ATOM 309 CD1 LEU A 558 11.947 -1.076 -7.458 1.00 0.00 C ATOM 310 CD2 LEU A 558 13.760 0.517 -6.823 1.00 0.00 C ATOM 0 H LEU A 558 14.354 -4.058 -6.426 1.00 0.00 H new ATOM 0 HA LEU A 558 15.777 -1.574 -6.054 1.00 0.00 H new ATOM 0 HB2 LEU A 558 12.967 -2.592 -5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 558 13.422 -1.118 -4.899 1.00 0.00 H new ATOM 0 HG LEU A 558 14.035 -1.355 -7.826 1.00 0.00 H new ATOM 0 HD11 LEU A 558 11.782 -0.502 -8.369 1.00 0.00 H new ATOM 0 HD12 LEU A 558 11.711 -2.124 -7.642 1.00 0.00 H new ATOM 0 HD13 LEU A 558 11.304 -0.693 -6.666 1.00 0.00 H new ATOM 0 HD21 LEU A 558 13.574 1.073 -7.742 1.00 0.00 H new ATOM 0 HD22 LEU A 558 13.148 0.928 -6.020 1.00 0.00 H new ATOM 0 HD23 LEU A 558 14.813 0.600 -6.556 1.00 0.00 H new ATOM 322 N LYS A 559 15.634 -3.610 -3.627 1.00 0.00 N ATOM 323 CA LYS A 559 16.098 -3.783 -2.259 1.00 0.00 C ATOM 324 C LYS A 559 17.495 -3.195 -2.119 1.00 0.00 C ATOM 325 O LYS A 559 18.444 -3.635 -2.771 1.00 0.00 O ATOM 326 CB LYS A 559 16.060 -5.253 -1.809 1.00 0.00 C ATOM 327 CG LYS A 559 16.855 -6.227 -2.670 1.00 0.00 C ATOM 328 CD LYS A 559 16.912 -7.599 -2.015 1.00 0.00 C ATOM 329 CE LYS A 559 17.685 -8.597 -2.858 1.00 0.00 C ATOM 330 NZ LYS A 559 17.670 -9.957 -2.254 1.00 0.00 N ATOM 0 H LYS A 559 15.477 -4.476 -4.142 1.00 0.00 H new ATOM 0 HA LYS A 559 15.416 -3.247 -1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 559 16.434 -5.311 -0.787 1.00 0.00 H new ATOM 0 HB3 LYS A 559 15.021 -5.581 -1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 559 16.396 -6.308 -3.655 1.00 0.00 H new ATOM 0 HG3 LYS A 559 17.866 -5.847 -2.819 1.00 0.00 H new ATOM 0 HD2 LYS A 559 17.379 -7.514 -1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 559 15.899 -7.967 -1.855 1.00 0.00 H new ATOM 0 HE2 LYS A 559 17.255 -8.639 -3.859 1.00 0.00 H new ATOM 0 HE3 LYS A 559 18.715 -8.259 -2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 559 18.208 -10.611 -2.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 559 18.104 -9.922 -1.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 559 16.688 -10.290 -2.172 1.00 0.00 H new ATOM 344 N GLY A 560 17.605 -2.174 -1.289 1.00 0.00 N ATOM 345 CA GLY A 560 18.840 -1.429 -1.184 1.00 0.00 C ATOM 346 C GLY A 560 18.661 -0.011 -1.684 1.00 0.00 C ATOM 347 O GLY A 560 19.231 0.931 -1.127 1.00 0.00 O ATOM 0 H GLY A 560 16.855 -1.845 -0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 560 19.173 -1.413 -0.146 1.00 0.00 H new ATOM 0 HA3 GLY A 560 19.619 -1.926 -1.761 1.00 0.00 H new ATOM 351 N LYS A 561 17.859 0.135 -2.736 1.00 0.00 N ATOM 352 CA LYS A 561 17.512 1.447 -3.268 1.00 0.00 C ATOM 353 C LYS A 561 16.667 2.215 -2.263 1.00 0.00 C ATOM 354 O LYS A 561 16.782 3.431 -2.124 1.00 0.00 O ATOM 355 CB LYS A 561 16.775 1.314 -4.588 1.00 0.00 C ATOM 356 CG LYS A 561 17.714 1.096 -5.751 1.00 0.00 C ATOM 357 CD LYS A 561 16.987 0.577 -6.943 1.00 0.00 C ATOM 358 CE LYS A 561 17.913 0.479 -8.133 1.00 0.00 C ATOM 359 NZ LYS A 561 17.209 0.029 -9.361 1.00 0.00 N ATOM 0 H LYS A 561 17.436 -0.645 -3.238 1.00 0.00 H new ATOM 0 HA LYS A 561 18.433 2.001 -3.447 1.00 0.00 H new ATOM 0 HB2 LYS A 561 16.075 0.480 -4.528 1.00 0.00 H new ATOM 0 HB3 LYS A 561 16.185 2.213 -4.764 1.00 0.00 H new ATOM 0 HG2 LYS A 561 18.208 2.034 -6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 561 18.495 0.392 -5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 561 16.568 -0.404 -6.721 1.00 0.00 H new ATOM 0 HD3 LYS A 561 16.151 1.235 -7.180 1.00 0.00 H new ATOM 0 HE2 LYS A 561 18.371 1.451 -8.315 1.00 0.00 H new ATOM 0 HE3 LYS A 561 18.721 -0.216 -7.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 17.885 -0.023 -10.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 16.794 -0.911 -9.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 16.454 0.705 -9.596 1.00 0.00 H new ATOM 373 N ILE A 562 15.822 1.480 -1.561 1.00 0.00 N ATOM 374 CA ILE A 562 15.032 2.033 -0.477 1.00 0.00 C ATOM 375 C ILE A 562 15.605 1.557 0.852 1.00 0.00 C ATOM 376 O ILE A 562 16.214 0.482 0.922 1.00 0.00 O ATOM 377 CB ILE A 562 13.552 1.605 -0.585 1.00 0.00 C ATOM 378 CG1 ILE A 562 12.702 2.391 0.400 1.00 0.00 C ATOM 379 CG2 ILE A 562 13.387 0.115 -0.336 1.00 0.00 C ATOM 380 CD1 ILE A 562 11.279 1.912 0.453 1.00 0.00 C ATOM 0 H ILE A 562 15.665 0.486 -1.726 1.00 0.00 H new ATOM 0 HA ILE A 562 15.074 3.120 -0.539 1.00 0.00 H new ATOM 0 HB ILE A 562 13.218 1.819 -1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 562 13.143 2.316 1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 562 12.716 3.445 0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 562 12.334 -0.153 -0.419 1.00 0.00 H new ATOM 0 HG22 ILE A 562 13.963 -0.443 -1.074 1.00 0.00 H new ATOM 0 HG23 ILE A 562 13.745 -0.129 0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 562 10.720 2.510 1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 562 10.824 2.012 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 562 11.258 0.866 0.757 1.00 0.00 H new ATOM 392 N SER A 563 15.441 2.352 1.895 1.00 0.00 N ATOM 393 CA SER A 563 15.854 1.941 3.216 1.00 0.00 C ATOM 394 C SER A 563 14.908 0.853 3.701 1.00 0.00 C ATOM 395 O SER A 563 13.706 0.888 3.414 1.00 0.00 O ATOM 396 CB SER A 563 15.833 3.142 4.159 1.00 0.00 C ATOM 397 OG SER A 563 16.601 4.212 3.636 1.00 0.00 O ATOM 0 H SER A 563 15.025 3.282 1.848 1.00 0.00 H new ATOM 0 HA SER A 563 16.871 1.548 3.192 1.00 0.00 H new ATOM 0 HB2 SER A 563 14.805 3.469 4.314 1.00 0.00 H new ATOM 0 HB3 SER A 563 16.225 2.851 5.133 1.00 0.00 H new ATOM 0 HG SER A 563 16.571 4.970 4.256 1.00 0.00 H new ATOM 403 N GLU A 564 15.455 -0.118 4.420 1.00 0.00 N ATOM 404 CA GLU A 564 14.678 -1.254 4.885 1.00 0.00 C ATOM 405 C GLU A 564 13.535 -0.808 5.776 1.00 0.00 C ATOM 406 O GLU A 564 12.489 -1.441 5.803 1.00 0.00 O ATOM 407 CB GLU A 564 15.566 -2.256 5.611 1.00 0.00 C ATOM 408 CG GLU A 564 16.515 -1.623 6.603 1.00 0.00 C ATOM 409 CD GLU A 564 17.404 -2.645 7.274 1.00 0.00 C ATOM 410 OE1 GLU A 564 18.113 -3.382 6.560 1.00 0.00 O ATOM 411 OE2 GLU A 564 17.380 -2.733 8.518 1.00 0.00 O ATOM 0 H GLU A 564 16.437 -0.139 4.694 1.00 0.00 H new ATOM 0 HA GLU A 564 14.250 -1.745 4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 564 14.935 -2.975 6.134 1.00 0.00 H new ATOM 0 HB3 GLU A 564 16.144 -2.815 4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 564 17.134 -0.885 6.092 1.00 0.00 H new ATOM 0 HG3 GLU A 564 15.942 -1.088 7.361 1.00 0.00 H new ATOM 418 N ALA A 565 13.744 0.278 6.500 1.00 0.00 N ATOM 419 CA ALA A 565 12.698 0.835 7.352 1.00 0.00 C ATOM 420 C ALA A 565 11.494 1.296 6.526 1.00 0.00 C ATOM 421 O ALA A 565 10.352 1.037 6.900 1.00 0.00 O ATOM 422 CB ALA A 565 13.236 1.989 8.177 1.00 0.00 C ATOM 0 H ALA A 565 14.624 0.793 6.518 1.00 0.00 H new ATOM 0 HA ALA A 565 12.367 0.045 8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 565 12.440 2.390 8.805 1.00 0.00 H new ATOM 0 HB2 ALA A 565 14.052 1.636 8.807 1.00 0.00 H new ATOM 0 HB3 ALA A 565 13.603 2.771 7.513 1.00 0.00 H new ATOM 428 N ASP A 566 11.747 1.968 5.398 1.00 0.00 N ATOM 429 CA ASP A 566 10.660 2.406 4.520 1.00 0.00 C ATOM 430 C ASP A 566 10.007 1.208 3.875 1.00 0.00 C ATOM 431 O ASP A 566 8.785 1.124 3.791 1.00 0.00 O ATOM 432 CB ASP A 566 11.149 3.362 3.431 1.00 0.00 C ATOM 433 CG ASP A 566 11.609 4.688 3.996 1.00 0.00 C ATOM 434 OD1 ASP A 566 10.749 5.471 4.470 1.00 0.00 O ATOM 435 OD2 ASP A 566 12.827 4.942 3.996 1.00 0.00 O ATOM 0 H ASP A 566 12.682 2.217 5.076 1.00 0.00 H new ATOM 0 HA ASP A 566 9.939 2.942 5.138 1.00 0.00 H new ATOM 0 HB2 ASP A 566 11.970 2.898 2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 566 10.346 3.534 2.714 1.00 0.00 H new ATOM 440 N LYS A 567 10.840 0.286 3.427 1.00 0.00 N ATOM 441 CA LYS A 567 10.378 -0.965 2.867 1.00 0.00 C ATOM 442 C LYS A 567 9.454 -1.695 3.843 1.00 0.00 C ATOM 443 O LYS A 567 8.363 -2.122 3.477 1.00 0.00 O ATOM 444 CB LYS A 567 11.592 -1.830 2.542 1.00 0.00 C ATOM 445 CG LYS A 567 11.250 -3.206 2.022 1.00 0.00 C ATOM 446 CD LYS A 567 12.501 -4.026 1.783 1.00 0.00 C ATOM 447 CE LYS A 567 12.157 -5.423 1.309 1.00 0.00 C ATOM 448 NZ LYS A 567 13.368 -6.266 1.160 1.00 0.00 N ATOM 0 H LYS A 567 11.855 0.386 3.442 1.00 0.00 H new ATOM 0 HA LYS A 567 9.807 -0.765 1.960 1.00 0.00 H new ATOM 0 HB2 LYS A 567 12.203 -1.315 1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 567 12.201 -1.934 3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 567 10.607 -3.719 2.737 1.00 0.00 H new ATOM 0 HG3 LYS A 567 10.687 -3.117 1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 567 13.127 -3.531 1.041 1.00 0.00 H new ATOM 0 HD3 LYS A 567 13.082 -4.084 2.703 1.00 0.00 H new ATOM 0 HE2 LYS A 567 11.474 -5.890 2.018 1.00 0.00 H new ATOM 0 HE3 LYS A 567 11.634 -5.365 0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 13.093 -7.215 0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 14.009 -5.833 0.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 13.853 -6.342 2.077 1.00 0.00 H new ATOM 462 N LYS A 568 9.883 -1.803 5.090 1.00 0.00 N ATOM 463 CA LYS A 568 9.124 -2.524 6.105 1.00 0.00 C ATOM 464 C LYS A 568 7.831 -1.808 6.463 1.00 0.00 C ATOM 465 O LYS A 568 6.778 -2.439 6.571 1.00 0.00 O ATOM 466 CB LYS A 568 9.969 -2.719 7.360 1.00 0.00 C ATOM 467 CG LYS A 568 11.075 -3.727 7.189 1.00 0.00 C ATOM 468 CD LYS A 568 12.000 -3.714 8.383 1.00 0.00 C ATOM 469 CE LYS A 568 13.191 -4.611 8.141 1.00 0.00 C ATOM 470 NZ LYS A 568 14.069 -4.695 9.332 1.00 0.00 N ATOM 0 H LYS A 568 10.757 -1.399 5.427 1.00 0.00 H new ATOM 0 HA LYS A 568 8.864 -3.496 5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 568 10.402 -1.762 7.649 1.00 0.00 H new ATOM 0 HB3 LYS A 568 9.322 -3.036 8.178 1.00 0.00 H new ATOM 0 HG2 LYS A 568 10.650 -4.723 7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 568 11.639 -3.505 6.283 1.00 0.00 H new ATOM 0 HD2 LYS A 568 12.338 -2.696 8.577 1.00 0.00 H new ATOM 0 HD3 LYS A 568 11.462 -4.046 9.271 1.00 0.00 H new ATOM 0 HE2 LYS A 568 12.845 -5.609 7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 568 13.763 -4.234 7.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 14.875 -5.320 9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 14.419 -3.746 9.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 13.530 -5.079 10.134 1.00 0.00 H new ATOM 484 N LYS A 569 7.907 -0.495 6.644 1.00 0.00 N ATOM 485 CA LYS A 569 6.744 0.272 7.053 1.00 0.00 C ATOM 486 C LYS A 569 5.668 0.213 5.978 1.00 0.00 C ATOM 487 O LYS A 569 4.488 0.036 6.284 1.00 0.00 O ATOM 488 CB LYS A 569 7.133 1.729 7.347 1.00 0.00 C ATOM 489 CG LYS A 569 7.365 2.569 6.111 1.00 0.00 C ATOM 490 CD LYS A 569 8.044 3.873 6.445 1.00 0.00 C ATOM 491 CE LYS A 569 7.582 4.964 5.510 1.00 0.00 C ATOM 492 NZ LYS A 569 8.291 6.244 5.769 1.00 0.00 N ATOM 0 H LYS A 569 8.756 0.055 6.514 1.00 0.00 H new ATOM 0 HA LYS A 569 6.345 -0.166 7.968 1.00 0.00 H new ATOM 0 HB2 LYS A 569 6.346 2.190 7.944 1.00 0.00 H new ATOM 0 HB3 LYS A 569 8.039 1.736 7.953 1.00 0.00 H new ATOM 0 HG2 LYS A 569 7.976 2.012 5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 569 6.411 2.769 5.622 1.00 0.00 H new ATOM 0 HD2 LYS A 569 7.823 4.151 7.475 1.00 0.00 H new ATOM 0 HD3 LYS A 569 9.125 3.756 6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 569 7.752 4.656 4.478 1.00 0.00 H new ATOM 0 HE3 LYS A 569 6.508 5.112 5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 569 7.758 7.029 5.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 569 8.369 6.396 6.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 569 9.243 6.204 5.352 1.00 0.00 H new ATOM 506 N VAL A 570 6.076 0.353 4.718 1.00 0.00 N ATOM 507 CA VAL A 570 5.133 0.323 3.622 1.00 0.00 C ATOM 508 C VAL A 570 4.579 -1.087 3.426 1.00 0.00 C ATOM 509 O VAL A 570 3.392 -1.245 3.180 1.00 0.00 O ATOM 510 CB VAL A 570 5.728 0.866 2.301 1.00 0.00 C ATOM 511 CG1 VAL A 570 6.838 -0.022 1.790 1.00 0.00 C ATOM 512 CG2 VAL A 570 4.642 1.010 1.250 1.00 0.00 C ATOM 0 H VAL A 570 7.048 0.487 4.440 1.00 0.00 H new ATOM 0 HA VAL A 570 4.316 0.991 3.894 1.00 0.00 H new ATOM 0 HB VAL A 570 6.153 1.848 2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 570 7.234 0.388 0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 570 7.634 -0.073 2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 570 6.448 -1.023 1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 570 5.077 1.393 0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 570 4.188 0.037 1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 570 3.880 1.703 1.607 1.00 0.00 H new ATOM 522 N LEU A 571 5.431 -2.110 3.551 1.00 0.00 N ATOM 523 CA LEU A 571 4.970 -3.499 3.469 1.00 0.00 C ATOM 524 C LEU A 571 3.926 -3.768 4.549 1.00 0.00 C ATOM 525 O LEU A 571 2.869 -4.338 4.276 1.00 0.00 O ATOM 526 CB LEU A 571 6.134 -4.489 3.638 1.00 0.00 C ATOM 527 CG LEU A 571 7.091 -4.634 2.455 1.00 0.00 C ATOM 528 CD1 LEU A 571 8.399 -5.251 2.918 1.00 0.00 C ATOM 529 CD2 LEU A 571 6.480 -5.500 1.368 1.00 0.00 C ATOM 0 H LEU A 571 6.433 -2.004 3.708 1.00 0.00 H new ATOM 0 HA LEU A 571 4.532 -3.643 2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 571 6.714 -4.186 4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 571 5.716 -5.471 3.859 1.00 0.00 H new ATOM 0 HG LEU A 571 7.279 -3.641 2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 571 9.075 -5.351 2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 571 8.856 -4.611 3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 571 8.206 -6.235 3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 571 7.180 -5.588 0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 571 6.266 -6.491 1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 571 5.555 -5.044 1.016 1.00 0.00 H new ATOM 541 N ASP A 572 4.239 -3.348 5.773 1.00 0.00 N ATOM 542 CA ASP A 572 3.324 -3.486 6.908 1.00 0.00 C ATOM 543 C ASP A 572 2.020 -2.753 6.639 1.00 0.00 C ATOM 544 O ASP A 572 0.931 -3.291 6.845 1.00 0.00 O ATOM 545 CB ASP A 572 3.963 -2.922 8.178 1.00 0.00 C ATOM 546 CG ASP A 572 2.984 -2.860 9.333 1.00 0.00 C ATOM 547 OD1 ASP A 572 2.729 -3.909 9.962 1.00 0.00 O ATOM 548 OD2 ASP A 572 2.466 -1.760 9.621 1.00 0.00 O ATOM 0 H ASP A 572 5.128 -2.905 6.007 1.00 0.00 H new ATOM 0 HA ASP A 572 3.117 -4.547 7.045 1.00 0.00 H new ATOM 0 HB2 ASP A 572 4.815 -3.541 8.459 1.00 0.00 H new ATOM 0 HB3 ASP A 572 4.348 -1.922 7.976 1.00 0.00 H new ATOM 553 N LYS A 573 2.150 -1.524 6.168 1.00 0.00 N ATOM 554 CA LYS A 573 1.006 -0.697 5.850 1.00 0.00 C ATOM 555 C LYS A 573 0.192 -1.311 4.714 1.00 0.00 C ATOM 556 O LYS A 573 -1.036 -1.324 4.757 1.00 0.00 O ATOM 557 CB LYS A 573 1.483 0.707 5.488 1.00 0.00 C ATOM 558 CG LYS A 573 0.418 1.584 4.866 1.00 0.00 C ATOM 559 CD LYS A 573 -0.826 1.658 5.710 1.00 0.00 C ATOM 560 CE LYS A 573 -1.849 2.570 5.077 1.00 0.00 C ATOM 561 NZ LYS A 573 -3.135 2.539 5.827 1.00 0.00 N ATOM 0 H LYS A 573 3.050 -1.076 5.997 1.00 0.00 H new ATOM 0 HA LYS A 573 0.354 -0.635 6.721 1.00 0.00 H new ATOM 0 HB2 LYS A 573 1.859 1.194 6.388 1.00 0.00 H new ATOM 0 HB3 LYS A 573 2.321 0.626 4.796 1.00 0.00 H new ATOM 0 HG2 LYS A 573 0.816 2.588 4.721 1.00 0.00 H new ATOM 0 HG3 LYS A 573 0.163 1.197 3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 573 -1.248 0.660 5.833 1.00 0.00 H new ATOM 0 HD3 LYS A 573 -0.574 2.022 6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 573 -1.465 3.590 5.051 1.00 0.00 H new ATOM 0 HE3 LYS A 573 -2.020 2.267 4.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 573 -3.521 3.502 5.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 573 -3.813 1.928 5.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 573 -2.970 2.165 6.783 1.00 0.00 H new ATOM 575 N CYS A 574 0.889 -1.830 3.713 1.00 0.00 N ATOM 576 CA CYS A 574 0.249 -2.489 2.583 1.00 0.00 C ATOM 577 C CYS A 574 -0.516 -3.717 3.064 1.00 0.00 C ATOM 578 O CYS A 574 -1.607 -4.013 2.590 1.00 0.00 O ATOM 579 CB CYS A 574 1.291 -2.872 1.523 1.00 0.00 C ATOM 580 SG CYS A 574 2.022 -1.457 0.664 1.00 0.00 S ATOM 0 H CYS A 574 1.907 -1.807 3.661 1.00 0.00 H new ATOM 0 HA CYS A 574 -0.458 -1.798 2.123 1.00 0.00 H new ATOM 0 HB2 CYS A 574 2.086 -3.444 2.000 1.00 0.00 H new ATOM 0 HB3 CYS A 574 0.823 -3.528 0.789 1.00 0.00 H new ATOM 0 HG CYS A 574 1.875 -1.605 -0.619 1.00 0.00 H new ATOM 586 N GLN A 575 0.069 -4.416 4.022 1.00 0.00 N ATOM 587 CA GLN A 575 -0.563 -5.567 4.634 1.00 0.00 C ATOM 588 C GLN A 575 -1.810 -5.175 5.413 1.00 0.00 C ATOM 589 O GLN A 575 -2.810 -5.888 5.393 1.00 0.00 O ATOM 590 CB GLN A 575 0.425 -6.247 5.559 1.00 0.00 C ATOM 591 CG GLN A 575 1.334 -7.226 4.839 1.00 0.00 C ATOM 592 CD GLN A 575 0.582 -8.318 4.116 1.00 0.00 C ATOM 593 OE1 GLN A 575 1.024 -8.797 3.075 1.00 0.00 O ATOM 594 NE2 GLN A 575 -0.540 -8.736 4.664 1.00 0.00 N ATOM 0 H GLN A 575 0.993 -4.200 4.395 1.00 0.00 H new ATOM 0 HA GLN A 575 -0.868 -6.250 3.841 1.00 0.00 H new ATOM 0 HB2 GLN A 575 1.034 -5.489 6.052 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -0.121 -6.775 6.341 1.00 0.00 H new ATOM 0 HG2 GLN A 575 1.948 -6.681 4.122 1.00 0.00 H new ATOM 0 HG3 GLN A 575 2.013 -7.679 5.561 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -0.874 -8.312 5.530 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -1.075 -9.484 4.223 1.00 0.00 H new ATOM 603 N GLU A 576 -1.733 -4.043 6.093 1.00 0.00 N ATOM 604 CA GLU A 576 -2.872 -3.500 6.829 1.00 0.00 C ATOM 605 C GLU A 576 -4.054 -3.289 5.895 1.00 0.00 C ATOM 606 O GLU A 576 -5.146 -3.811 6.127 1.00 0.00 O ATOM 607 CB GLU A 576 -2.496 -2.165 7.478 1.00 0.00 C ATOM 608 CG GLU A 576 -3.683 -1.406 8.061 1.00 0.00 C ATOM 609 CD GLU A 576 -3.792 0.013 7.525 1.00 0.00 C ATOM 610 OE1 GLU A 576 -3.154 0.923 8.090 1.00 0.00 O ATOM 611 OE2 GLU A 576 -4.513 0.232 6.523 1.00 0.00 O ATOM 0 H GLU A 576 -0.888 -3.475 6.153 1.00 0.00 H new ATOM 0 HA GLU A 576 -3.149 -4.214 7.605 1.00 0.00 H new ATOM 0 HB2 GLU A 576 -1.770 -2.349 8.270 1.00 0.00 H new ATOM 0 HB3 GLU A 576 -2.005 -1.537 6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 576 -4.602 -1.947 7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 576 -3.591 -1.374 9.147 1.00 0.00 H new ATOM 618 N VAL A 577 -3.821 -2.536 4.837 1.00 0.00 N ATOM 619 CA VAL A 577 -4.865 -2.241 3.874 1.00 0.00 C ATOM 620 C VAL A 577 -5.309 -3.490 3.114 1.00 0.00 C ATOM 621 O VAL A 577 -6.500 -3.694 2.904 1.00 0.00 O ATOM 622 CB VAL A 577 -4.443 -1.135 2.889 1.00 0.00 C ATOM 623 CG1 VAL A 577 -3.012 -1.306 2.437 1.00 0.00 C ATOM 624 CG2 VAL A 577 -5.352 -1.133 1.688 1.00 0.00 C ATOM 0 H VAL A 577 -2.916 -2.117 4.622 1.00 0.00 H new ATOM 0 HA VAL A 577 -5.717 -1.874 4.447 1.00 0.00 H new ATOM 0 HB VAL A 577 -4.523 -0.183 3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 577 -2.752 -0.507 1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 577 -2.350 -1.266 3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 577 -2.900 -2.269 1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 577 -5.043 -0.347 0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 577 -5.294 -2.099 1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 577 -6.378 -0.952 2.009 1.00 0.00 H new ATOM 634 N ILE A 578 -4.362 -4.329 2.718 1.00 0.00 N ATOM 635 CA ILE A 578 -4.684 -5.555 2.002 1.00 0.00 C ATOM 636 C ILE A 578 -5.565 -6.477 2.859 1.00 0.00 C ATOM 637 O ILE A 578 -6.498 -7.108 2.353 1.00 0.00 O ATOM 638 CB ILE A 578 -3.398 -6.261 1.514 1.00 0.00 C ATOM 639 CG1 ILE A 578 -2.919 -5.602 0.209 1.00 0.00 C ATOM 640 CG2 ILE A 578 -3.626 -7.751 1.310 1.00 0.00 C ATOM 641 CD1 ILE A 578 -1.530 -6.010 -0.204 1.00 0.00 C ATOM 0 H ILE A 578 -3.366 -4.183 2.880 1.00 0.00 H new ATOM 0 HA ILE A 578 -5.263 -5.296 1.116 1.00 0.00 H new ATOM 0 HB ILE A 578 -2.629 -6.153 2.279 1.00 0.00 H new ATOM 0 HG12 ILE A 578 -3.615 -5.855 -0.591 1.00 0.00 H new ATOM 0 HG13 ILE A 578 -2.949 -4.519 0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 578 -2.702 -8.217 0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 578 -3.933 -8.205 2.252 1.00 0.00 H new ATOM 0 HG23 ILE A 578 -4.407 -7.901 0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 578 -1.263 -5.505 -1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 578 -0.822 -5.732 0.577 1.00 0.00 H new ATOM 0 HD13 ILE A 578 -1.498 -7.089 -0.356 1.00 0.00 H new ATOM 653 N SER A 579 -5.296 -6.521 4.159 1.00 0.00 N ATOM 654 CA SER A 579 -6.144 -7.265 5.087 1.00 0.00 C ATOM 655 C SER A 579 -7.506 -6.582 5.221 1.00 0.00 C ATOM 656 O SER A 579 -8.545 -7.241 5.296 1.00 0.00 O ATOM 657 CB SER A 579 -5.469 -7.372 6.456 1.00 0.00 C ATOM 658 OG SER A 579 -4.201 -7.995 6.350 1.00 0.00 O ATOM 0 H SER A 579 -4.501 -6.053 4.594 1.00 0.00 H new ATOM 0 HA SER A 579 -6.293 -8.270 4.693 1.00 0.00 H new ATOM 0 HB2 SER A 579 -5.355 -6.378 6.888 1.00 0.00 H new ATOM 0 HB3 SER A 579 -6.103 -7.943 7.134 1.00 0.00 H new ATOM 0 HG SER A 579 -3.567 -7.377 5.929 1.00 0.00 H new ATOM 664 N TRP A 580 -7.489 -5.252 5.209 1.00 0.00 N ATOM 665 CA TRP A 580 -8.702 -4.451 5.301 1.00 0.00 C ATOM 666 C TRP A 580 -9.562 -4.684 4.069 1.00 0.00 C ATOM 667 O TRP A 580 -10.783 -4.714 4.142 1.00 0.00 O ATOM 668 CB TRP A 580 -8.330 -2.966 5.434 1.00 0.00 C ATOM 669 CG TRP A 580 -9.485 -2.023 5.287 1.00 0.00 C ATOM 670 CD1 TRP A 580 -10.288 -1.547 6.281 1.00 0.00 C ATOM 671 CD2 TRP A 580 -9.966 -1.439 4.068 1.00 0.00 C ATOM 672 NE1 TRP A 580 -11.241 -0.707 5.756 1.00 0.00 N ATOM 673 CE2 TRP A 580 -11.065 -0.628 4.399 1.00 0.00 C ATOM 674 CE3 TRP A 580 -9.572 -1.530 2.730 1.00 0.00 C ATOM 675 CZ2 TRP A 580 -11.773 0.093 3.440 1.00 0.00 C ATOM 676 CZ3 TRP A 580 -10.277 -0.821 1.778 1.00 0.00 C ATOM 677 CH2 TRP A 580 -11.369 -0.019 2.138 1.00 0.00 C ATOM 0 H TRP A 580 -6.634 -4.701 5.135 1.00 0.00 H new ATOM 0 HA TRP A 580 -9.272 -4.746 6.182 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -7.867 -2.806 6.408 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -7.580 -2.723 4.681 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -10.190 -1.794 7.328 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -11.962 -0.221 6.290 1.00 0.00 H new ATOM 0 HE3 TRP A 580 -8.730 -2.144 2.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -12.610 0.718 3.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 -9.983 -0.885 0.741 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -11.903 0.522 1.371 1.00 0.00 H new ATOM 688 N LEU A 581 -8.894 -4.859 2.943 1.00 0.00 N ATOM 689 CA LEU A 581 -9.546 -5.123 1.668 1.00 0.00 C ATOM 690 C LEU A 581 -10.309 -6.431 1.691 1.00 0.00 C ATOM 691 O LEU A 581 -11.448 -6.502 1.238 1.00 0.00 O ATOM 692 CB LEU A 581 -8.501 -5.184 0.579 1.00 0.00 C ATOM 693 CG LEU A 581 -8.000 -3.839 0.097 1.00 0.00 C ATOM 694 CD1 LEU A 581 -6.620 -4.005 -0.484 1.00 0.00 C ATOM 695 CD2 LEU A 581 -8.963 -3.269 -0.925 1.00 0.00 C ATOM 0 H LEU A 581 -7.876 -4.822 2.885 1.00 0.00 H new ATOM 0 HA LEU A 581 -10.255 -4.317 1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 581 -7.652 -5.762 0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 581 -8.915 -5.727 -0.271 1.00 0.00 H new ATOM 0 HG LEU A 581 -7.943 -3.139 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 581 -6.254 -3.040 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 581 -5.948 -4.393 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 581 -6.659 -4.702 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 581 -8.598 -2.301 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 581 -9.039 -3.950 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 581 -9.946 -3.145 -0.470 1.00 0.00 H new ATOM 707 N ASP A 582 -9.652 -7.467 2.189 1.00 0.00 N ATOM 708 CA ASP A 582 -10.268 -8.786 2.301 1.00 0.00 C ATOM 709 C ASP A 582 -11.438 -8.729 3.271 1.00 0.00 C ATOM 710 O ASP A 582 -12.454 -9.403 3.093 1.00 0.00 O ATOM 711 CB ASP A 582 -9.238 -9.813 2.779 1.00 0.00 C ATOM 712 CG ASP A 582 -9.797 -11.223 2.831 1.00 0.00 C ATOM 713 OD1 ASP A 582 -9.995 -11.829 1.756 1.00 0.00 O ATOM 714 OD2 ASP A 582 -10.036 -11.732 3.945 1.00 0.00 O ATOM 0 H ASP A 582 -8.690 -7.423 2.524 1.00 0.00 H new ATOM 0 HA ASP A 582 -10.633 -9.089 1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 582 -8.375 -9.793 2.113 1.00 0.00 H new ATOM 0 HB3 ASP A 582 -8.883 -9.531 3.770 1.00 0.00 H new ATOM 719 N ALA A 583 -11.284 -7.894 4.284 1.00 0.00 N ATOM 720 CA ALA A 583 -12.291 -7.723 5.314 1.00 0.00 C ATOM 721 C ALA A 583 -13.449 -6.847 4.834 1.00 0.00 C ATOM 722 O ALA A 583 -14.598 -7.029 5.239 1.00 0.00 O ATOM 723 CB ALA A 583 -11.635 -7.116 6.539 1.00 0.00 C ATOM 0 H ALA A 583 -10.455 -7.315 4.415 1.00 0.00 H new ATOM 0 HA ALA A 583 -12.712 -8.698 5.560 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -12.381 -6.982 7.322 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -10.848 -7.780 6.897 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -11.203 -6.149 6.279 1.00 0.00 H new ATOM 729 N ASN A 584 -13.140 -5.909 3.952 1.00 0.00 N ATOM 730 CA ASN A 584 -14.128 -4.965 3.443 1.00 0.00 C ATOM 731 C ASN A 584 -14.286 -5.097 1.939 1.00 0.00 C ATOM 732 O ASN A 584 -13.993 -4.170 1.185 1.00 0.00 O ATOM 733 CB ASN A 584 -13.735 -3.527 3.797 1.00 0.00 C ATOM 734 CG ASN A 584 -13.992 -3.192 5.252 1.00 0.00 C ATOM 735 OD1 ASN A 584 -15.049 -2.662 5.605 1.00 0.00 O ATOM 736 ND2 ASN A 584 -13.034 -3.497 6.111 1.00 0.00 N ATOM 0 H ASN A 584 -12.203 -5.779 3.569 1.00 0.00 H new ATOM 0 HA ASN A 584 -15.082 -5.200 3.915 1.00 0.00 H new ATOM 0 HB2 ASN A 584 -12.678 -3.379 3.575 1.00 0.00 H new ATOM 0 HB3 ASN A 584 -14.293 -2.836 3.165 1.00 0.00 H new ATOM 0 HD21 ASN A 584 -13.155 -3.295 7.103 1.00 0.00 H new ATOM 0 HD22 ASN A 584 -12.174 -3.935 5.781 1.00 0.00 H new ATOM 743 N THR A 585 -14.750 -6.256 1.505 1.00 0.00 N ATOM 744 CA THR A 585 -15.020 -6.488 0.099 1.00 0.00 C ATOM 745 C THR A 585 -16.319 -5.813 -0.325 1.00 0.00 C ATOM 746 O THR A 585 -16.603 -5.675 -1.513 1.00 0.00 O ATOM 747 CB THR A 585 -15.100 -7.995 -0.199 1.00 0.00 C ATOM 748 OG1 THR A 585 -15.864 -8.656 0.818 1.00 0.00 O ATOM 749 CG2 THR A 585 -13.713 -8.599 -0.264 1.00 0.00 C ATOM 0 H THR A 585 -14.948 -7.053 2.110 1.00 0.00 H new ATOM 0 HA THR A 585 -14.197 -6.056 -0.471 1.00 0.00 H new ATOM 0 HB THR A 585 -15.588 -8.129 -1.164 1.00 0.00 H new ATOM 0 HG1 THR A 585 -15.912 -9.615 0.620 1.00 0.00 H new ATOM 0 HG21 THR A 585 -13.790 -9.665 -0.476 1.00 0.00 H new ATOM 0 HG22 THR A 585 -13.141 -8.113 -1.054 1.00 0.00 H new ATOM 0 HG23 THR A 585 -13.208 -8.454 0.691 1.00 0.00 H new ATOM 757 N LEU A 586 -17.096 -5.379 0.662 1.00 0.00 N ATOM 758 CA LEU A 586 -18.388 -4.757 0.408 1.00 0.00 C ATOM 759 C LEU A 586 -18.306 -3.249 0.620 1.00 0.00 C ATOM 760 O LEU A 586 -19.324 -2.554 0.623 1.00 0.00 O ATOM 761 CB LEU A 586 -19.479 -5.357 1.307 1.00 0.00 C ATOM 762 CG LEU A 586 -19.669 -6.878 1.226 1.00 0.00 C ATOM 763 CD1 LEU A 586 -19.521 -7.375 -0.199 1.00 0.00 C ATOM 764 CD2 LEU A 586 -18.690 -7.593 2.132 1.00 0.00 C ATOM 0 H LEU A 586 -16.851 -5.448 1.650 1.00 0.00 H new ATOM 0 HA LEU A 586 -18.654 -4.955 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 586 -19.252 -5.095 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 586 -20.427 -4.880 1.058 1.00 0.00 H new ATOM 0 HG LEU A 586 -20.682 -7.100 1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 586 -19.661 -8.456 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 586 -20.270 -6.898 -0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 586 -18.525 -7.129 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 586 -18.844 -8.669 2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 586 -17.671 -7.351 1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 586 -18.848 -7.275 3.162 1.00 0.00 H new ATOM 776 N ALA A 587 -17.092 -2.761 0.841 1.00 0.00 N ATOM 777 CA ALA A 587 -16.853 -1.333 1.028 1.00 0.00 C ATOM 778 C ALA A 587 -17.234 -0.546 -0.223 1.00 0.00 C ATOM 779 O ALA A 587 -17.217 -1.075 -1.336 1.00 0.00 O ATOM 780 CB ALA A 587 -15.389 -1.081 1.363 1.00 0.00 C ATOM 0 H ALA A 587 -16.252 -3.336 0.896 1.00 0.00 H new ATOM 0 HA ALA A 587 -17.476 -0.995 1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 587 -15.226 -0.012 1.500 1.00 0.00 H new ATOM 0 HB2 ALA A 587 -15.130 -1.608 2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 587 -14.762 -1.443 0.548 1.00 0.00 H new ATOM 786 N GLU A 588 -17.578 0.719 -0.029 1.00 0.00 N ATOM 787 CA GLU A 588 -17.898 1.601 -1.136 1.00 0.00 C ATOM 788 C GLU A 588 -16.628 2.219 -1.696 1.00 0.00 C ATOM 789 O GLU A 588 -15.563 2.100 -1.092 1.00 0.00 O ATOM 790 CB GLU A 588 -18.855 2.703 -0.694 1.00 0.00 C ATOM 791 CG GLU A 588 -20.236 2.205 -0.313 1.00 0.00 C ATOM 792 CD GLU A 588 -21.182 3.343 -0.007 1.00 0.00 C ATOM 793 OE1 GLU A 588 -21.535 4.089 -0.945 1.00 0.00 O ATOM 794 OE2 GLU A 588 -21.561 3.514 1.172 1.00 0.00 O ATOM 0 H GLU A 588 -17.642 1.157 0.890 1.00 0.00 H new ATOM 0 HA GLU A 588 -18.384 1.010 -1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -18.421 3.227 0.158 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -18.952 3.431 -1.500 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -20.642 1.604 -1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -20.159 1.553 0.557 1.00 0.00 H new ATOM 801 N LYS A 589 -16.745 2.902 -2.826 1.00 0.00 N ATOM 802 CA LYS A 589 -15.576 3.410 -3.537 1.00 0.00 C ATOM 803 C LYS A 589 -14.705 4.306 -2.657 1.00 0.00 C ATOM 804 O LYS A 589 -13.488 4.125 -2.603 1.00 0.00 O ATOM 805 CB LYS A 589 -16.012 4.168 -4.800 1.00 0.00 C ATOM 806 CG LYS A 589 -17.234 5.050 -4.599 1.00 0.00 C ATOM 807 CD LYS A 589 -17.685 5.709 -5.894 1.00 0.00 C ATOM 808 CE LYS A 589 -17.097 7.102 -6.071 1.00 0.00 C ATOM 809 NZ LYS A 589 -15.618 7.096 -6.234 1.00 0.00 N ATOM 0 H LYS A 589 -17.637 3.118 -3.272 1.00 0.00 H new ATOM 0 HA LYS A 589 -14.970 2.549 -3.820 1.00 0.00 H new ATOM 0 HB2 LYS A 589 -15.183 4.786 -5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 589 -16.223 3.447 -5.590 1.00 0.00 H new ATOM 0 HG2 LYS A 589 -18.050 4.451 -4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 589 -17.007 5.820 -3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 589 -17.392 5.084 -6.738 1.00 0.00 H new ATOM 0 HD3 LYS A 589 -18.773 5.772 -5.907 1.00 0.00 H new ATOM 0 HE2 LYS A 589 -17.551 7.573 -6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 589 -17.359 7.713 -5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 -15.326 7.930 -6.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 -15.165 7.121 -5.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 -15.328 6.233 -6.736 1.00 0.00 H new ATOM 823 N ASP A 590 -15.325 5.230 -1.936 1.00 0.00 N ATOM 824 CA ASP A 590 -14.572 6.179 -1.121 1.00 0.00 C ATOM 825 C ASP A 590 -13.863 5.506 0.054 1.00 0.00 C ATOM 826 O ASP A 590 -12.884 6.047 0.568 1.00 0.00 O ATOM 827 CB ASP A 590 -15.440 7.348 -0.650 1.00 0.00 C ATOM 828 CG ASP A 590 -16.553 6.947 0.288 1.00 0.00 C ATOM 829 OD1 ASP A 590 -17.564 6.389 -0.188 1.00 0.00 O ATOM 830 OD2 ASP A 590 -16.441 7.225 1.500 1.00 0.00 O ATOM 0 H ASP A 590 -16.338 5.344 -1.897 1.00 0.00 H new ATOM 0 HA ASP A 590 -13.797 6.587 -1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 590 -14.805 8.081 -0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 590 -15.872 7.840 -1.521 1.00 0.00 H new ATOM 835 N GLU A 591 -14.339 4.335 0.487 1.00 0.00 N ATOM 836 CA GLU A 591 -13.608 3.564 1.495 1.00 0.00 C ATOM 837 C GLU A 591 -12.223 3.221 0.963 1.00 0.00 C ATOM 838 O GLU A 591 -11.207 3.445 1.627 1.00 0.00 O ATOM 839 CB GLU A 591 -14.327 2.258 1.871 1.00 0.00 C ATOM 840 CG GLU A 591 -15.313 2.379 3.023 1.00 0.00 C ATOM 841 CD GLU A 591 -16.663 2.913 2.607 1.00 0.00 C ATOM 842 OE1 GLU A 591 -16.855 4.139 2.634 1.00 0.00 O ATOM 843 OE2 GLU A 591 -17.551 2.100 2.277 1.00 0.00 O ATOM 0 H GLU A 591 -15.207 3.908 0.164 1.00 0.00 H new ATOM 0 HA GLU A 591 -13.543 4.183 2.390 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -14.858 1.887 0.994 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -13.578 1.509 2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -15.445 1.399 3.483 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -14.891 3.034 3.785 1.00 0.00 H new ATOM 850 N PHE A 592 -12.195 2.695 -0.257 1.00 0.00 N ATOM 851 CA PHE A 592 -10.950 2.329 -0.911 1.00 0.00 C ATOM 852 C PHE A 592 -10.136 3.576 -1.226 1.00 0.00 C ATOM 853 O PHE A 592 -8.937 3.622 -0.988 1.00 0.00 O ATOM 854 CB PHE A 592 -11.228 1.564 -2.209 1.00 0.00 C ATOM 855 CG PHE A 592 -12.062 0.329 -2.027 1.00 0.00 C ATOM 856 CD1 PHE A 592 -11.474 -0.863 -1.662 1.00 0.00 C ATOM 857 CD2 PHE A 592 -13.431 0.363 -2.221 1.00 0.00 C ATOM 858 CE1 PHE A 592 -12.232 -2.006 -1.493 1.00 0.00 C ATOM 859 CE2 PHE A 592 -14.196 -0.774 -2.056 1.00 0.00 C ATOM 860 CZ PHE A 592 -13.596 -1.961 -1.690 1.00 0.00 C ATOM 0 H PHE A 592 -13.030 2.513 -0.814 1.00 0.00 H new ATOM 0 HA PHE A 592 -10.386 1.688 -0.234 1.00 0.00 H new ATOM 0 HB2 PHE A 592 -11.732 2.230 -2.909 1.00 0.00 H new ATOM 0 HB3 PHE A 592 -10.278 1.284 -2.663 1.00 0.00 H new ATOM 0 HD1 PHE A 592 -10.406 -0.904 -1.506 1.00 0.00 H new ATOM 0 HD2 PHE A 592 -13.907 1.290 -2.505 1.00 0.00 H new ATOM 0 HE1 PHE A 592 -11.757 -2.933 -1.207 1.00 0.00 H new ATOM 0 HE2 PHE A 592 -15.264 -0.734 -2.213 1.00 0.00 H new ATOM 0 HZ PHE A 592 -14.192 -2.852 -1.558 1.00 0.00 H new ATOM 870 N GLU A 593 -10.810 4.590 -1.746 1.00 0.00 N ATOM 871 CA GLU A 593 -10.157 5.829 -2.150 1.00 0.00 C ATOM 872 C GLU A 593 -9.462 6.514 -0.970 1.00 0.00 C ATOM 873 O GLU A 593 -8.343 7.022 -1.104 1.00 0.00 O ATOM 874 CB GLU A 593 -11.182 6.762 -2.796 1.00 0.00 C ATOM 875 CG GLU A 593 -11.727 6.216 -4.108 1.00 0.00 C ATOM 876 CD GLU A 593 -12.745 7.127 -4.756 1.00 0.00 C ATOM 877 OE1 GLU A 593 -13.884 7.216 -4.252 1.00 0.00 O ATOM 878 OE2 GLU A 593 -12.417 7.745 -5.790 1.00 0.00 O ATOM 0 H GLU A 593 -11.818 4.580 -1.900 1.00 0.00 H new ATOM 0 HA GLU A 593 -9.383 5.587 -2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 593 -12.008 6.923 -2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 593 -10.721 7.734 -2.975 1.00 0.00 H new ATOM 0 HG2 GLU A 593 -10.899 6.057 -4.799 1.00 0.00 H new ATOM 0 HG3 GLU A 593 -12.183 5.243 -3.927 1.00 0.00 H new ATOM 885 N HIS A 594 -10.115 6.513 0.185 1.00 0.00 N ATOM 886 CA HIS A 594 -9.528 7.081 1.391 1.00 0.00 C ATOM 887 C HIS A 594 -8.364 6.217 1.872 1.00 0.00 C ATOM 888 O HIS A 594 -7.329 6.729 2.300 1.00 0.00 O ATOM 889 CB HIS A 594 -10.593 7.212 2.486 1.00 0.00 C ATOM 890 CG HIS A 594 -10.085 7.775 3.778 1.00 0.00 C ATOM 891 ND1 HIS A 594 -10.008 9.124 4.034 1.00 0.00 N ATOM 892 CD2 HIS A 594 -9.621 7.156 4.888 1.00 0.00 C ATOM 893 CE1 HIS A 594 -9.518 9.311 5.244 1.00 0.00 C ATOM 894 NE2 HIS A 594 -9.274 8.134 5.784 1.00 0.00 N ATOM 0 H HIS A 594 -11.050 6.126 0.312 1.00 0.00 H new ATOM 0 HA HIS A 594 -9.145 8.075 1.161 1.00 0.00 H new ATOM 0 HB2 HIS A 594 -11.399 7.848 2.118 1.00 0.00 H new ATOM 0 HB3 HIS A 594 -11.024 6.229 2.676 1.00 0.00 H new ATOM 0 HD2 HIS A 594 -9.539 6.090 5.040 1.00 0.00 H new ATOM 0 HE1 HIS A 594 -9.346 10.268 5.714 1.00 0.00 H new ATOM 0 HE2 HIS A 594 -8.890 7.976 6.716 1.00 0.00 H new ATOM 903 N LYS A 595 -8.542 4.901 1.794 1.00 0.00 N ATOM 904 CA LYS A 595 -7.483 3.966 2.134 1.00 0.00 C ATOM 905 C LYS A 595 -6.289 4.160 1.207 1.00 0.00 C ATOM 906 O LYS A 595 -5.134 4.035 1.621 1.00 0.00 O ATOM 907 CB LYS A 595 -7.987 2.529 2.022 1.00 0.00 C ATOM 908 CG LYS A 595 -6.978 1.513 2.519 1.00 0.00 C ATOM 909 CD LYS A 595 -6.494 1.842 3.921 1.00 0.00 C ATOM 910 CE LYS A 595 -7.519 1.494 4.982 1.00 0.00 C ATOM 911 NZ LYS A 595 -6.955 1.635 6.350 1.00 0.00 N ATOM 0 H LYS A 595 -9.413 4.461 1.497 1.00 0.00 H new ATOM 0 HA LYS A 595 -7.174 4.157 3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 595 -8.910 2.427 2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 595 -8.230 2.314 0.981 1.00 0.00 H new ATOM 0 HG2 LYS A 595 -7.428 0.520 2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 595 -6.127 1.482 1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 595 -5.570 1.299 4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 595 -6.259 2.905 3.981 1.00 0.00 H new ATOM 0 HE2 LYS A 595 -8.388 2.143 4.877 1.00 0.00 H new ATOM 0 HE3 LYS A 595 -7.865 0.471 4.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 -7.677 1.373 7.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 -6.130 1.010 6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 -6.663 2.621 6.505 1.00 0.00 H new ATOM 925 N ARG A 596 -6.587 4.463 -0.049 1.00 0.00 N ATOM 926 CA ARG A 596 -5.568 4.719 -1.054 1.00 0.00 C ATOM 927 C ARG A 596 -4.715 5.901 -0.633 1.00 0.00 C ATOM 928 O ARG A 596 -3.503 5.892 -0.821 1.00 0.00 O ATOM 929 CB ARG A 596 -6.220 4.979 -2.419 1.00 0.00 C ATOM 930 CG ARG A 596 -5.262 4.849 -3.595 1.00 0.00 C ATOM 931 CD ARG A 596 -6.011 4.652 -4.908 1.00 0.00 C ATOM 932 NE ARG A 596 -6.812 5.820 -5.273 1.00 0.00 N ATOM 933 CZ ARG A 596 -7.291 6.041 -6.498 1.00 0.00 C ATOM 934 NH1 ARG A 596 -6.997 5.214 -7.493 1.00 0.00 N ATOM 935 NH2 ARG A 596 -8.055 7.103 -6.724 1.00 0.00 N ATOM 0 H ARG A 596 -7.542 4.538 -0.399 1.00 0.00 H new ATOM 0 HA ARG A 596 -4.928 3.841 -1.144 1.00 0.00 H new ATOM 0 HB2 ARG A 596 -7.045 4.280 -2.556 1.00 0.00 H new ATOM 0 HB3 ARG A 596 -6.648 5.981 -2.421 1.00 0.00 H new ATOM 0 HG2 ARG A 596 -4.641 5.742 -3.660 1.00 0.00 H new ATOM 0 HG3 ARG A 596 -4.591 4.006 -3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 596 -5.296 4.442 -5.703 1.00 0.00 H new ATOM 0 HD3 ARG A 596 -6.661 3.781 -4.826 1.00 0.00 H new ATOM 0 HE ARG A 596 -7.017 6.507 -4.547 1.00 0.00 H new ATOM 0 HH11 ARG A 596 -6.401 4.403 -7.323 1.00 0.00 H new ATOM 0 HH12 ARG A 596 -7.367 5.389 -8.427 1.00 0.00 H new ATOM 0 HH21 ARG A 596 -8.273 7.746 -5.963 1.00 0.00 H new ATOM 0 HH22 ARG A 596 -8.424 7.276 -7.659 1.00 0.00 H new ATOM 949 N LYS A 597 -5.357 6.905 -0.043 1.00 0.00 N ATOM 950 CA LYS A 597 -4.641 8.068 0.474 1.00 0.00 C ATOM 951 C LYS A 597 -3.717 7.672 1.622 1.00 0.00 C ATOM 952 O LYS A 597 -2.589 8.150 1.713 1.00 0.00 O ATOM 953 CB LYS A 597 -5.619 9.151 0.933 1.00 0.00 C ATOM 954 CG LYS A 597 -6.605 9.587 -0.143 1.00 0.00 C ATOM 955 CD LYS A 597 -5.913 9.841 -1.474 1.00 0.00 C ATOM 956 CE LYS A 597 -4.889 10.954 -1.387 1.00 0.00 C ATOM 957 NZ LYS A 597 -4.201 11.184 -2.686 1.00 0.00 N ATOM 0 H LYS A 597 -6.368 6.937 0.089 1.00 0.00 H new ATOM 0 HA LYS A 597 -4.033 8.472 -0.336 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -6.176 8.783 1.795 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -5.053 10.020 1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -7.367 8.818 -0.270 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -7.117 10.494 0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -5.424 8.926 -1.807 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -6.660 10.095 -2.226 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -5.380 11.874 -1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -4.150 10.708 -0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -3.497 11.942 -2.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -3.724 10.310 -2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -4.900 11.461 -3.405 1.00 0.00 H new ATOM 971 N GLU A 598 -4.198 6.781 2.485 1.00 0.00 N ATOM 972 CA GLU A 598 -3.394 6.272 3.598 1.00 0.00 C ATOM 973 C GLU A 598 -2.141 5.573 3.087 1.00 0.00 C ATOM 974 O GLU A 598 -1.013 5.905 3.465 1.00 0.00 O ATOM 975 CB GLU A 598 -4.185 5.260 4.412 1.00 0.00 C ATOM 976 CG GLU A 598 -5.265 5.847 5.285 1.00 0.00 C ATOM 977 CD GLU A 598 -6.048 4.754 5.976 1.00 0.00 C ATOM 978 OE1 GLU A 598 -5.412 3.851 6.566 1.00 0.00 O ATOM 979 OE2 GLU A 598 -7.289 4.757 5.899 1.00 0.00 O ATOM 0 H GLU A 598 -5.141 6.395 2.437 1.00 0.00 H new ATOM 0 HA GLU A 598 -3.122 7.128 4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -4.641 4.544 3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -3.492 4.703 5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -4.819 6.507 6.029 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -5.937 6.456 4.680 1.00 0.00 H new ATOM 986 N LEU A 599 -2.367 4.582 2.234 1.00 0.00 N ATOM 987 CA LEU A 599 -1.295 3.775 1.679 1.00 0.00 C ATOM 988 C LEU A 599 -0.333 4.676 0.911 1.00 0.00 C ATOM 989 O LEU A 599 0.881 4.525 1.004 1.00 0.00 O ATOM 990 CB LEU A 599 -1.902 2.693 0.771 1.00 0.00 C ATOM 991 CG LEU A 599 -0.995 1.518 0.386 1.00 0.00 C ATOM 992 CD1 LEU A 599 0.078 1.945 -0.598 1.00 0.00 C ATOM 993 CD2 LEU A 599 -0.368 0.887 1.614 1.00 0.00 C ATOM 0 H LEU A 599 -3.297 4.318 1.910 1.00 0.00 H new ATOM 0 HA LEU A 599 -0.735 3.281 2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -2.785 2.291 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -2.243 3.173 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 599 -1.621 0.771 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.703 1.088 -0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -0.391 2.330 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 599 0.694 2.724 -0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 599 0.270 0.057 1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 599 0.230 1.631 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -1.153 0.519 2.275 1.00 0.00 H new ATOM 1005 N GLU A 600 -0.896 5.631 0.187 1.00 0.00 N ATOM 1006 CA GLU A 600 -0.111 6.603 -0.557 1.00 0.00 C ATOM 1007 C GLU A 600 0.858 7.338 0.361 1.00 0.00 C ATOM 1008 O GLU A 600 2.032 7.461 0.046 1.00 0.00 O ATOM 1009 CB GLU A 600 -1.049 7.609 -1.231 1.00 0.00 C ATOM 1010 CG GLU A 600 -0.351 8.638 -2.102 1.00 0.00 C ATOM 1011 CD GLU A 600 -1.299 9.726 -2.564 1.00 0.00 C ATOM 1012 OE1 GLU A 600 -2.206 9.433 -3.371 1.00 0.00 O ATOM 1013 OE2 GLU A 600 -1.145 10.879 -2.118 1.00 0.00 O ATOM 0 H GLU A 600 -1.905 5.754 0.099 1.00 0.00 H new ATOM 0 HA GLU A 600 0.469 6.075 -1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 600 -1.768 7.063 -1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 600 -1.617 8.130 -0.460 1.00 0.00 H new ATOM 0 HG2 GLU A 600 0.472 9.086 -1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 600 0.084 8.143 -2.970 1.00 0.00 H new ATOM 1020 N GLN A 601 0.378 7.810 1.503 1.00 0.00 N ATOM 1021 CA GLN A 601 1.229 8.582 2.400 1.00 0.00 C ATOM 1022 C GLN A 601 2.313 7.720 3.048 1.00 0.00 C ATOM 1023 O GLN A 601 3.335 8.248 3.478 1.00 0.00 O ATOM 1024 CB GLN A 601 0.416 9.290 3.483 1.00 0.00 C ATOM 1025 CG GLN A 601 -0.681 10.195 2.944 1.00 0.00 C ATOM 1026 CD GLN A 601 -1.292 11.075 4.021 1.00 0.00 C ATOM 1027 OE1 GLN A 601 -2.481 11.400 3.976 1.00 0.00 O ATOM 1028 NE2 GLN A 601 -0.477 11.492 4.979 1.00 0.00 N ATOM 0 H GLN A 601 -0.580 7.676 1.827 1.00 0.00 H new ATOM 0 HA GLN A 601 1.716 9.336 1.781 1.00 0.00 H new ATOM 0 HB2 GLN A 601 -0.034 8.540 4.133 1.00 0.00 H new ATOM 0 HB3 GLN A 601 1.091 9.883 4.100 1.00 0.00 H new ATOM 0 HG2 GLN A 601 -0.272 10.825 2.154 1.00 0.00 H new ATOM 0 HG3 GLN A 601 -1.462 9.584 2.492 1.00 0.00 H new ATOM 0 HE21 GLN A 601 0.500 11.200 4.980 1.00 0.00 H new ATOM 0 HE22 GLN A 601 -0.827 12.105 5.715 1.00 0.00 H new ATOM 1037 N VAL A 602 2.097 6.406 3.154 1.00 0.00 N ATOM 1038 CA VAL A 602 3.143 5.535 3.689 1.00 0.00 C ATOM 1039 C VAL A 602 4.236 5.296 2.642 1.00 0.00 C ATOM 1040 O VAL A 602 5.424 5.295 2.964 1.00 0.00 O ATOM 1041 CB VAL A 602 2.602 4.172 4.207 1.00 0.00 C ATOM 1042 CG1 VAL A 602 2.455 3.160 3.092 1.00 0.00 C ATOM 1043 CG2 VAL A 602 3.511 3.618 5.296 1.00 0.00 C ATOM 0 H VAL A 602 1.234 5.934 2.885 1.00 0.00 H new ATOM 0 HA VAL A 602 3.563 6.059 4.548 1.00 0.00 H new ATOM 0 HB VAL A 602 1.611 4.355 4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 602 2.075 2.223 3.499 1.00 0.00 H new ATOM 0 HG12 VAL A 602 1.759 3.540 2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 602 3.426 2.986 2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 602 3.118 2.664 5.647 1.00 0.00 H new ATOM 0 HG22 VAL A 602 4.513 3.471 4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 602 3.553 4.321 6.128 1.00 0.00 H new ATOM 1053 N CYS A 603 3.827 5.099 1.389 1.00 0.00 N ATOM 1054 CA CYS A 603 4.764 4.806 0.308 1.00 0.00 C ATOM 1055 C CYS A 603 5.381 6.081 -0.260 1.00 0.00 C ATOM 1056 O CYS A 603 6.496 6.059 -0.757 1.00 0.00 O ATOM 1057 CB CYS A 603 4.071 4.016 -0.806 1.00 0.00 C ATOM 1058 SG CYS A 603 2.572 4.781 -1.456 1.00 0.00 S ATOM 0 H CYS A 603 2.850 5.137 1.098 1.00 0.00 H new ATOM 0 HA CYS A 603 5.568 4.200 0.727 1.00 0.00 H new ATOM 0 HB2 CYS A 603 4.776 3.877 -1.626 1.00 0.00 H new ATOM 0 HB3 CYS A 603 3.822 3.025 -0.428 1.00 0.00 H new ATOM 0 HG CYS A 603 1.584 4.563 -0.639 1.00 0.00 H new ATOM 1064 N ASN A 604 4.651 7.185 -0.180 1.00 0.00 N ATOM 1065 CA ASN A 604 5.089 8.465 -0.744 1.00 0.00 C ATOM 1066 C ASN A 604 6.513 8.853 -0.308 1.00 0.00 C ATOM 1067 O ASN A 604 7.351 9.132 -1.165 1.00 0.00 O ATOM 1068 CB ASN A 604 4.073 9.565 -0.394 1.00 0.00 C ATOM 1069 CG ASN A 604 4.559 10.960 -0.721 1.00 0.00 C ATOM 1070 OD1 ASN A 604 4.541 11.383 -1.877 1.00 0.00 O ATOM 1071 ND2 ASN A 604 4.935 11.705 0.305 1.00 0.00 N ATOM 0 H ASN A 604 3.739 7.224 0.276 1.00 0.00 H new ATOM 0 HA ASN A 604 5.130 8.351 -1.827 1.00 0.00 H new ATOM 0 HB2 ASN A 604 3.145 9.376 -0.933 1.00 0.00 H new ATOM 0 HB3 ASN A 604 3.841 9.509 0.670 1.00 0.00 H new ATOM 0 HD21 ASN A 604 5.225 12.671 0.154 1.00 0.00 H new ATOM 0 HD22 ASN A 604 4.935 11.313 1.247 1.00 0.00 H new ATOM 1078 N PRO A 605 6.834 8.858 1.009 1.00 0.00 N ATOM 1079 CA PRO A 605 8.194 9.163 1.485 1.00 0.00 C ATOM 1080 C PRO A 605 9.241 8.252 0.861 1.00 0.00 C ATOM 1081 O PRO A 605 10.368 8.668 0.582 1.00 0.00 O ATOM 1082 CB PRO A 605 8.111 8.915 2.989 1.00 0.00 C ATOM 1083 CG PRO A 605 6.680 9.125 3.315 1.00 0.00 C ATOM 1084 CD PRO A 605 5.920 8.601 2.134 1.00 0.00 C ATOM 0 HA PRO A 605 8.497 10.176 1.221 1.00 0.00 H new ATOM 0 HB2 PRO A 605 8.433 7.906 3.244 1.00 0.00 H new ATOM 0 HB3 PRO A 605 8.750 9.603 3.542 1.00 0.00 H new ATOM 0 HG2 PRO A 605 6.403 8.595 4.226 1.00 0.00 H new ATOM 0 HG3 PRO A 605 6.466 10.181 3.482 1.00 0.00 H new ATOM 0 HD2 PRO A 605 5.696 7.539 2.237 1.00 0.00 H new ATOM 0 HD3 PRO A 605 4.968 9.116 2.006 1.00 0.00 H new ATOM 1092 N ILE A 606 8.840 7.017 0.626 1.00 0.00 N ATOM 1093 CA ILE A 606 9.722 5.998 0.096 1.00 0.00 C ATOM 1094 C ILE A 606 9.843 6.139 -1.427 1.00 0.00 C ATOM 1095 O ILE A 606 10.930 6.024 -1.985 1.00 0.00 O ATOM 1096 CB ILE A 606 9.223 4.583 0.505 1.00 0.00 C ATOM 1097 CG1 ILE A 606 8.607 3.847 -0.685 1.00 0.00 C ATOM 1098 CG2 ILE A 606 8.222 4.679 1.651 1.00 0.00 C ATOM 1099 CD1 ILE A 606 7.681 2.716 -0.305 1.00 0.00 C ATOM 0 H ILE A 606 7.889 6.692 0.799 1.00 0.00 H new ATOM 0 HA ILE A 606 10.717 6.132 0.521 1.00 0.00 H new ATOM 0 HB ILE A 606 10.086 4.009 0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 606 8.056 4.563 -1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 606 9.410 3.451 -1.307 1.00 0.00 H new ATOM 0 HG21 ILE A 606 7.884 3.679 1.924 1.00 0.00 H new ATOM 0 HG22 ILE A 606 8.698 5.148 2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 606 7.367 5.278 1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 606 7.288 2.248 -1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 606 8.230 1.976 0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 606 6.855 3.106 0.290 1.00 0.00 H new ATOM 1111 N ILE A 607 8.719 6.432 -2.080 1.00 0.00 N ATOM 1112 CA ILE A 607 8.666 6.587 -3.531 1.00 0.00 C ATOM 1113 C ILE A 607 9.464 7.811 -3.978 1.00 0.00 C ATOM 1114 O ILE A 607 10.108 7.792 -5.027 1.00 0.00 O ATOM 1115 CB ILE A 607 7.189 6.681 -4.019 1.00 0.00 C ATOM 1116 CG1 ILE A 607 6.699 5.325 -4.542 1.00 0.00 C ATOM 1117 CG2 ILE A 607 7.000 7.751 -5.084 1.00 0.00 C ATOM 1118 CD1 ILE A 607 6.630 4.242 -3.491 1.00 0.00 C ATOM 0 H ILE A 607 7.820 6.568 -1.617 1.00 0.00 H new ATOM 0 HA ILE A 607 9.120 5.706 -3.984 1.00 0.00 H new ATOM 0 HB ILE A 607 6.590 6.967 -3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 607 5.709 5.454 -4.980 1.00 0.00 H new ATOM 0 HG13 ILE A 607 7.362 4.996 -5.343 1.00 0.00 H new ATOM 0 HG21 ILE A 607 5.955 7.778 -5.392 1.00 0.00 H new ATOM 0 HG22 ILE A 607 7.284 8.722 -4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 607 7.626 7.521 -5.946 1.00 0.00 H new ATOM 0 HD11 ILE A 607 6.274 3.317 -3.945 1.00 0.00 H new ATOM 0 HD12 ILE A 607 7.622 4.081 -3.069 1.00 0.00 H new ATOM 0 HD13 ILE A 607 5.944 4.545 -2.700 1.00 0.00 H new ATOM 1130 N SER A 608 9.441 8.867 -3.172 1.00 0.00 N ATOM 1131 CA SER A 608 10.196 10.063 -3.464 1.00 0.00 C ATOM 1132 C SER A 608 11.703 9.798 -3.396 1.00 0.00 C ATOM 1133 O SER A 608 12.500 10.536 -3.976 1.00 0.00 O ATOM 1134 CB SER A 608 9.795 11.156 -2.481 1.00 0.00 C ATOM 1135 OG SER A 608 8.430 11.514 -2.644 1.00 0.00 O ATOM 0 H SER A 608 8.901 8.911 -2.308 1.00 0.00 H new ATOM 0 HA SER A 608 9.970 10.386 -4.480 1.00 0.00 H new ATOM 0 HB2 SER A 608 9.965 10.812 -1.461 1.00 0.00 H new ATOM 0 HB3 SER A 608 10.425 12.033 -2.631 1.00 0.00 H new ATOM 0 HG SER A 608 7.862 10.848 -2.203 1.00 0.00 H new ATOM 1141 N GLY A 609 12.087 8.731 -2.704 1.00 0.00 N ATOM 1142 CA GLY A 609 13.488 8.370 -2.613 1.00 0.00 C ATOM 1143 C GLY A 609 13.854 7.273 -3.593 1.00 0.00 C ATOM 1144 O GLY A 609 15.029 6.969 -3.787 1.00 0.00 O ATOM 0 H GLY A 609 11.451 8.109 -2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 609 14.103 9.249 -2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 609 13.713 8.040 -1.599 1.00 0.00 H new ATOM 1148 N LEU A 610 12.841 6.693 -4.217 1.00 0.00 N ATOM 1149 CA LEU A 610 13.035 5.606 -5.165 1.00 0.00 C ATOM 1150 C LEU A 610 13.394 6.149 -6.542 1.00 0.00 C ATOM 1151 O LEU A 610 14.580 6.075 -6.925 1.00 0.00 O ATOM 1152 CB LEU A 610 11.772 4.743 -5.239 1.00 0.00 C ATOM 1153 CG LEU A 610 11.510 3.871 -4.011 1.00 0.00 C ATOM 1154 CD1 LEU A 610 10.217 3.099 -4.180 1.00 0.00 C ATOM 1155 CD2 LEU A 610 12.674 2.922 -3.767 1.00 0.00 C ATOM 1156 OXT LEU A 610 12.495 6.672 -7.234 1.00 0.00 O ATOM 0 H LEU A 610 11.866 6.960 -4.082 1.00 0.00 H new ATOM 0 HA LEU A 610 13.863 4.987 -4.820 1.00 0.00 H new ATOM 0 HB2 LEU A 610 10.913 5.396 -5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 610 11.842 4.098 -6.115 1.00 0.00 H new ATOM 0 HG LEU A 610 11.414 4.520 -3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 610 10.043 2.482 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 610 9.389 3.798 -4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 610 10.287 2.461 -5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 610 12.467 2.311 -2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 610 12.805 2.277 -4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 610 13.585 3.498 -3.602 1.00 0.00 H new TER 1168 LEU A 610