USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 556 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 519 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 522 THR OG1 : rot 180:sc= 0 USER MOD Single : A 523 SER OG : rot 180:sc= 0 USER MOD Single : A 524 ASN : amide:sc= -0.521 K(o=-0.52,f=-3.8!) USER MOD Single : A 526 THR OG1 : rot 180:sc= 0.0735 USER MOD Single : A 530 THR OG1 : rot 180:sc= 0.00163 USER MOD Single : A 531 TYR OH : rot 67:sc= 0.399 USER MOD Single : A 532 GLN : amide:sc=-0.00405 X(o=-0.0041,f=0) USER MOD Single : A 535 MET CE :methyl -147:sc= -1.55 (180deg=-6.15!) USER MOD Single : A 536 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.00936) USER MOD Single : A 544 MET CE :methyl 169:sc= -1.39 (180deg=-1.87) USER MOD Single : A 545 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 549 MET CE :methyl -178:sc= -5.3! (180deg=-5.38!) USER MOD Single : A 550 GLN : amide:sc= -0.677 K(o=-0.68,f=-4.3!) USER MOD Single : A 551 SER OG : rot 180:sc= 0 USER MOD Single : A 554 GLN : amide:sc= -0.0563 X(o=-0.056,f=0) USER MOD Single : A 555 GLN : amide:sc= -0.268 K(o=-0.27,f=-1.2) USER MOD Single : A 557 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 558 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 559 ASN : amide:sc= -0.671 X(o=-0.67,f=-0.71) USER MOD Single : A 564 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 566 HIS : no HE2:sc= -6.75! C(o=-6.8!,f=-9.6!) USER MOD Single : A 567 MET CE :methyl -155:sc= -0.284 (180deg=-1.29) USER MOD Single : A 568 LYS NZ :NH3+ -164:sc= -0.0409 (180deg=-0.409) USER MOD Single : A 569 ASN : amide:sc= -1.48 X(o=-1.5,f=-1.2) USER MOD Single : A 574 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 575 LYS NZ :NH3+ 168:sc= -1.08 (180deg=-1.25) USER MOD Single : A 577 GLN : amide:sc= -4.81 X(o=-4.8,f=-4.8!) USER MOD Single : A 578 THR OG1 : rot 89:sc= 1.18 USER MOD Single : A 587 THR OG1 : rot 167:sc= -0.164 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 519 73.449 -13.175 17.986 1.00 0.00 N ATOM 2 CA GLN A 519 72.249 -12.763 17.260 1.00 0.00 C ATOM 3 C GLN A 519 71.925 -11.292 17.543 1.00 0.00 C ATOM 4 O GLN A 519 72.226 -10.786 18.625 1.00 0.00 O ATOM 5 CB GLN A 519 71.058 -13.644 17.661 1.00 0.00 C ATOM 6 CG GLN A 519 70.876 -13.625 19.184 1.00 0.00 C ATOM 7 CD GLN A 519 69.530 -14.238 19.556 1.00 0.00 C ATOM 8 OE1 GLN A 519 68.579 -13.516 19.855 1.00 0.00 O ATOM 9 NE2 GLN A 519 69.393 -15.536 19.555 1.00 0.00 N ATOM 0 HA GLN A 519 72.438 -12.881 16.193 1.00 0.00 H new ATOM 0 HB2 GLN A 519 70.151 -13.286 17.174 1.00 0.00 H new ATOM 0 HB3 GLN A 519 71.221 -14.666 17.319 1.00 0.00 H new ATOM 0 HG2 GLN A 519 71.683 -14.181 19.662 1.00 0.00 H new ATOM 0 HG3 GLN A 519 70.933 -12.601 19.553 1.00 0.00 H new ATOM 0 HE21 GLN A 519 70.183 -16.132 19.307 1.00 0.00 H new ATOM 0 HE22 GLN A 519 68.496 -15.954 19.802 1.00 0.00 H new ATOM 18 N PRO A 520 71.321 -10.599 16.596 1.00 0.00 N ATOM 19 CA PRO A 520 70.949 -9.164 16.785 1.00 0.00 C ATOM 20 C PRO A 520 69.695 -8.999 17.643 1.00 0.00 C ATOM 21 O PRO A 520 69.540 -7.994 18.340 1.00 0.00 O ATOM 22 CB PRO A 520 70.708 -8.664 15.362 1.00 0.00 C ATOM 23 CG PRO A 520 70.254 -9.863 14.601 1.00 0.00 C ATOM 24 CD PRO A 520 70.918 -11.077 15.255 1.00 0.00 C ATOM 0 HA PRO A 520 71.723 -8.607 17.312 1.00 0.00 H new ATOM 0 HB2 PRO A 520 69.955 -7.876 15.343 1.00 0.00 H new ATOM 0 HB3 PRO A 520 71.618 -8.245 14.932 1.00 0.00 H new ATOM 0 HG2 PRO A 520 69.168 -9.953 14.632 1.00 0.00 H new ATOM 0 HG3 PRO A 520 70.538 -9.785 13.551 1.00 0.00 H new ATOM 0 HD2 PRO A 520 70.228 -11.918 15.324 1.00 0.00 H new ATOM 0 HD3 PRO A 520 71.779 -11.417 14.679 1.00 0.00 H new ATOM 32 N GLY A 521 68.804 -9.989 17.586 1.00 0.00 N ATOM 33 CA GLY A 521 67.557 -9.938 18.349 1.00 0.00 C ATOM 34 C GLY A 521 66.377 -9.588 17.446 1.00 0.00 C ATOM 35 O GLY A 521 65.261 -10.064 17.661 1.00 0.00 O ATOM 0 H GLY A 521 68.921 -10.831 17.023 1.00 0.00 H new ATOM 0 HA2 GLY A 521 67.380 -10.901 18.828 1.00 0.00 H new ATOM 0 HA3 GLY A 521 67.643 -9.198 19.144 1.00 0.00 H new ATOM 39 N THR A 522 66.630 -8.752 16.438 1.00 0.00 N ATOM 40 CA THR A 522 65.585 -8.357 15.496 1.00 0.00 C ATOM 41 C THR A 522 66.164 -8.195 14.094 1.00 0.00 C ATOM 42 O THR A 522 67.382 -8.109 13.925 1.00 0.00 O ATOM 43 CB THR A 522 64.944 -7.041 15.944 1.00 0.00 C ATOM 44 OG1 THR A 522 65.936 -6.024 15.987 1.00 0.00 O ATOM 45 CG2 THR A 522 64.327 -7.214 17.332 1.00 0.00 C ATOM 0 H THR A 522 67.544 -8.338 16.254 1.00 0.00 H new ATOM 0 HA THR A 522 64.825 -9.139 15.476 1.00 0.00 H new ATOM 0 HB THR A 522 64.163 -6.759 15.237 1.00 0.00 H new ATOM 0 HG1 THR A 522 65.527 -5.180 16.272 1.00 0.00 H new ATOM 0 HG21 THR A 522 63.872 -6.275 17.647 1.00 0.00 H new ATOM 0 HG22 THR A 522 63.565 -7.993 17.297 1.00 0.00 H new ATOM 0 HG23 THR A 522 65.103 -7.497 18.043 1.00 0.00 H new ATOM 53 N SER A 523 65.285 -8.153 13.092 1.00 0.00 N ATOM 54 CA SER A 523 65.718 -8.007 11.703 1.00 0.00 C ATOM 55 C SER A 523 65.181 -6.706 11.109 1.00 0.00 C ATOM 56 O SER A 523 64.110 -6.683 10.498 1.00 0.00 O ATOM 57 CB SER A 523 65.224 -9.196 10.877 1.00 0.00 C ATOM 58 OG SER A 523 65.756 -9.108 9.562 1.00 0.00 O ATOM 0 H SER A 523 64.275 -8.218 13.216 1.00 0.00 H new ATOM 0 HA SER A 523 66.807 -7.978 11.679 1.00 0.00 H new ATOM 0 HB2 SER A 523 65.532 -10.131 11.344 1.00 0.00 H new ATOM 0 HB3 SER A 523 64.135 -9.201 10.841 1.00 0.00 H new ATOM 0 HG SER A 523 65.442 -9.869 9.031 1.00 0.00 H new ATOM 64 N ASN A 524 65.930 -5.619 11.303 1.00 0.00 N ATOM 65 CA ASN A 524 65.546 -4.318 10.758 1.00 0.00 C ATOM 66 C ASN A 524 66.672 -3.304 10.955 1.00 0.00 C ATOM 67 O ASN A 524 66.732 -2.619 11.978 1.00 0.00 O ATOM 68 CB ASN A 524 64.272 -3.815 11.447 1.00 0.00 C ATOM 69 CG ASN A 524 63.668 -2.659 10.654 1.00 0.00 C ATOM 70 OD1 ASN A 524 64.393 -1.883 10.030 1.00 0.00 O ATOM 71 ND2 ASN A 524 62.373 -2.497 10.641 1.00 0.00 N ATOM 0 H ASN A 524 66.802 -5.615 11.831 1.00 0.00 H new ATOM 0 HA ASN A 524 65.357 -4.432 9.691 1.00 0.00 H new ATOM 0 HB2 ASN A 524 63.549 -4.627 11.529 1.00 0.00 H new ATOM 0 HB3 ASN A 524 64.502 -3.489 12.461 1.00 0.00 H new ATOM 0 HD21 ASN A 524 61.961 -1.727 10.114 1.00 0.00 H new ATOM 0 HD22 ASN A 524 61.773 -3.140 11.158 1.00 0.00 H new ATOM 78 N GLU A 525 67.568 -3.222 9.971 1.00 0.00 N ATOM 79 CA GLU A 525 68.714 -2.318 10.054 1.00 0.00 C ATOM 80 C GLU A 525 68.768 -1.416 8.819 1.00 0.00 C ATOM 81 O GLU A 525 67.850 -1.425 7.998 1.00 0.00 O ATOM 82 CB GLU A 525 70.006 -3.136 10.169 1.00 0.00 C ATOM 83 CG GLU A 525 69.958 -3.995 11.436 1.00 0.00 C ATOM 84 CD GLU A 525 70.087 -3.112 12.673 1.00 0.00 C ATOM 85 OE1 GLU A 525 69.064 -2.671 13.171 1.00 0.00 O ATOM 86 OE2 GLU A 525 71.207 -2.889 13.104 1.00 0.00 O ATOM 0 H GLU A 525 67.522 -3.768 9.111 1.00 0.00 H new ATOM 0 HA GLU A 525 68.609 -1.688 10.937 1.00 0.00 H new ATOM 0 HB2 GLU A 525 70.126 -3.771 9.291 1.00 0.00 H new ATOM 0 HB3 GLU A 525 70.868 -2.470 10.201 1.00 0.00 H new ATOM 0 HG2 GLU A 525 69.021 -4.551 11.473 1.00 0.00 H new ATOM 0 HG3 GLU A 525 70.764 -4.729 11.418 1.00 0.00 H new ATOM 93 N THR A 526 69.847 -0.643 8.693 1.00 0.00 N ATOM 94 CA THR A 526 69.970 0.325 7.602 1.00 0.00 C ATOM 95 C THR A 526 70.059 -0.377 6.241 1.00 0.00 C ATOM 96 O THR A 526 70.312 -1.579 6.175 1.00 0.00 O ATOM 97 CB THR A 526 71.203 1.213 7.821 1.00 0.00 C ATOM 98 OG1 THR A 526 72.225 0.455 8.454 1.00 0.00 O ATOM 99 CG2 THR A 526 70.830 2.404 8.706 1.00 0.00 C ATOM 0 H THR A 526 70.644 -0.667 9.329 1.00 0.00 H new ATOM 0 HA THR A 526 69.075 0.947 7.601 1.00 0.00 H new ATOM 0 HB THR A 526 71.561 1.577 6.858 1.00 0.00 H new ATOM 0 HG1 THR A 526 73.013 1.020 8.593 1.00 0.00 H new ATOM 0 HG21 THR A 526 71.707 3.032 8.859 1.00 0.00 H new ATOM 0 HG22 THR A 526 70.047 2.987 8.221 1.00 0.00 H new ATOM 0 HG23 THR A 526 70.469 2.043 9.669 1.00 0.00 H new ATOM 107 N PRO A 527 69.835 0.352 5.159 1.00 0.00 N ATOM 108 CA PRO A 527 69.564 -0.263 3.814 1.00 0.00 C ATOM 109 C PRO A 527 70.599 -1.312 3.404 1.00 0.00 C ATOM 110 O PRO A 527 70.309 -2.193 2.590 1.00 0.00 O ATOM 111 CB PRO A 527 69.591 0.925 2.852 1.00 0.00 C ATOM 112 CG PRO A 527 69.231 2.106 3.684 1.00 0.00 C ATOM 113 CD PRO A 527 69.787 1.829 5.077 1.00 0.00 C ATOM 0 HA PRO A 527 68.618 -0.804 3.817 1.00 0.00 H new ATOM 0 HB2 PRO A 527 70.576 1.045 2.402 1.00 0.00 H new ATOM 0 HB3 PRO A 527 68.882 0.787 2.035 1.00 0.00 H new ATOM 0 HG2 PRO A 527 69.657 3.019 3.269 1.00 0.00 H new ATOM 0 HG3 PRO A 527 68.150 2.245 3.716 1.00 0.00 H new ATOM 0 HD2 PRO A 527 70.776 2.268 5.206 1.00 0.00 H new ATOM 0 HD3 PRO A 527 69.148 2.251 5.853 1.00 0.00 H new ATOM 121 N GLU A 528 71.802 -1.227 3.976 1.00 0.00 N ATOM 122 CA GLU A 528 72.835 -2.237 3.722 1.00 0.00 C ATOM 123 C GLU A 528 72.318 -3.638 4.077 1.00 0.00 C ATOM 124 O GLU A 528 72.681 -4.625 3.435 1.00 0.00 O ATOM 125 CB GLU A 528 74.087 -1.924 4.549 1.00 0.00 C ATOM 126 CG GLU A 528 75.249 -2.804 4.076 1.00 0.00 C ATOM 127 CD GLU A 528 76.465 -2.594 4.975 1.00 0.00 C ATOM 128 OE1 GLU A 528 76.282 -2.525 6.180 1.00 0.00 O ATOM 129 OE2 GLU A 528 77.559 -2.505 4.445 1.00 0.00 O ATOM 0 H GLU A 528 72.084 -0.480 4.610 1.00 0.00 H new ATOM 0 HA GLU A 528 73.087 -2.215 2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 528 74.349 -0.871 4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 528 73.890 -2.101 5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 528 74.952 -3.853 4.092 1.00 0.00 H new ATOM 0 HG3 GLU A 528 75.503 -2.561 3.044 1.00 0.00 H new ATOM 136 N GLU A 529 71.416 -3.700 5.059 1.00 0.00 N ATOM 137 CA GLU A 529 70.820 -4.963 5.472 1.00 0.00 C ATOM 138 C GLU A 529 69.957 -5.536 4.349 1.00 0.00 C ATOM 139 O GLU A 529 70.052 -6.718 4.022 1.00 0.00 O ATOM 140 CB GLU A 529 69.954 -4.735 6.711 1.00 0.00 C ATOM 141 CG GLU A 529 69.830 -6.042 7.499 1.00 0.00 C ATOM 142 CD GLU A 529 68.802 -5.884 8.616 1.00 0.00 C ATOM 143 OE1 GLU A 529 67.750 -5.326 8.351 1.00 0.00 O ATOM 144 OE2 GLU A 529 69.084 -6.324 9.717 1.00 0.00 O ATOM 0 H GLU A 529 71.085 -2.888 5.580 1.00 0.00 H new ATOM 0 HA GLU A 529 71.617 -5.671 5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 529 70.396 -3.961 7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 529 68.966 -4.381 6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 529 69.533 -6.851 6.832 1.00 0.00 H new ATOM 0 HG3 GLU A 529 70.797 -6.315 7.920 1.00 0.00 H new ATOM 151 N THR A 530 69.140 -4.674 3.739 1.00 0.00 N ATOM 152 CA THR A 530 68.226 -5.106 2.682 1.00 0.00 C ATOM 153 C THR A 530 68.994 -5.696 1.502 1.00 0.00 C ATOM 154 O THR A 530 68.630 -6.750 0.982 1.00 0.00 O ATOM 155 CB THR A 530 67.387 -3.918 2.200 1.00 0.00 C ATOM 156 OG1 THR A 530 66.898 -3.200 3.324 1.00 0.00 O ATOM 157 CG2 THR A 530 66.209 -4.424 1.365 1.00 0.00 C ATOM 0 H THR A 530 69.093 -3.679 3.958 1.00 0.00 H new ATOM 0 HA THR A 530 67.573 -5.876 3.093 1.00 0.00 H new ATOM 0 HB THR A 530 68.006 -3.262 1.588 1.00 0.00 H new ATOM 0 HG1 THR A 530 66.362 -2.439 3.018 1.00 0.00 H new ATOM 0 HG21 THR A 530 65.614 -3.577 1.024 1.00 0.00 H new ATOM 0 HG22 THR A 530 66.584 -4.975 0.502 1.00 0.00 H new ATOM 0 HG23 THR A 530 65.588 -5.082 1.973 1.00 0.00 H new ATOM 165 N TYR A 531 70.072 -5.022 1.100 1.00 0.00 N ATOM 166 CA TYR A 531 70.871 -5.465 -0.042 1.00 0.00 C ATOM 167 C TYR A 531 71.440 -6.868 0.183 1.00 0.00 C ATOM 168 O TYR A 531 71.292 -7.743 -0.668 1.00 0.00 O ATOM 169 CB TYR A 531 72.011 -4.470 -0.289 1.00 0.00 C ATOM 170 CG TYR A 531 72.858 -4.785 -1.501 1.00 0.00 C ATOM 171 CD1 TYR A 531 73.999 -5.612 -1.370 1.00 0.00 C ATOM 172 CD2 TYR A 531 72.512 -4.250 -2.766 1.00 0.00 C ATOM 173 CE1 TYR A 531 74.796 -5.905 -2.503 1.00 0.00 C ATOM 174 CE2 TYR A 531 73.308 -4.543 -3.900 1.00 0.00 C ATOM 175 CZ TYR A 531 74.450 -5.370 -3.769 1.00 0.00 C ATOM 176 OH TYR A 531 75.227 -5.655 -4.873 1.00 0.00 O ATOM 0 H TYR A 531 70.411 -4.170 1.547 1.00 0.00 H new ATOM 0 HA TYR A 531 70.222 -5.505 -0.917 1.00 0.00 H new ATOM 0 HB2 TYR A 531 71.588 -3.472 -0.405 1.00 0.00 H new ATOM 0 HB3 TYR A 531 72.653 -4.444 0.592 1.00 0.00 H new ATOM 0 HD1 TYR A 531 74.262 -6.020 -0.405 1.00 0.00 H new ATOM 0 HD2 TYR A 531 71.641 -3.619 -2.866 1.00 0.00 H new ATOM 0 HE1 TYR A 531 75.667 -6.536 -2.403 1.00 0.00 H new ATOM 0 HE2 TYR A 531 73.044 -4.136 -4.865 1.00 0.00 H new ATOM 0 HH TYR A 531 75.154 -6.609 -5.087 1.00 0.00 H new ATOM 186 N GLN A 532 72.065 -7.088 1.343 1.00 0.00 N ATOM 187 CA GLN A 532 72.669 -8.392 1.646 1.00 0.00 C ATOM 188 C GLN A 532 71.627 -9.514 1.593 1.00 0.00 C ATOM 189 O GLN A 532 71.833 -10.538 0.934 1.00 0.00 O ATOM 190 CB GLN A 532 73.318 -8.361 3.031 1.00 0.00 C ATOM 191 CG GLN A 532 74.499 -7.389 3.023 1.00 0.00 C ATOM 192 CD GLN A 532 75.214 -7.426 4.369 1.00 0.00 C ATOM 193 OE1 GLN A 532 75.984 -8.347 4.637 1.00 0.00 O ATOM 194 NE2 GLN A 532 75.005 -6.473 5.235 1.00 0.00 N ATOM 0 H GLN A 532 72.166 -6.391 2.081 1.00 0.00 H new ATOM 0 HA GLN A 532 73.428 -8.592 0.890 1.00 0.00 H new ATOM 0 HB2 GLN A 532 72.587 -8.055 3.779 1.00 0.00 H new ATOM 0 HB3 GLN A 532 73.658 -9.359 3.307 1.00 0.00 H new ATOM 0 HG2 GLN A 532 75.193 -7.654 2.226 1.00 0.00 H new ATOM 0 HG3 GLN A 532 74.147 -6.378 2.816 1.00 0.00 H new ATOM 0 HE21 GLN A 532 74.366 -5.711 5.010 1.00 0.00 H new ATOM 0 HE22 GLN A 532 75.481 -6.490 6.137 1.00 0.00 H new ATOM 203 N ARG A 533 70.475 -9.285 2.225 1.00 0.00 N ATOM 204 CA ARG A 533 69.418 -10.298 2.260 1.00 0.00 C ATOM 205 C ARG A 533 68.982 -10.659 0.842 1.00 0.00 C ATOM 206 O ARG A 533 69.018 -11.826 0.453 1.00 0.00 O ATOM 207 CB ARG A 533 68.214 -9.778 3.050 1.00 0.00 C ATOM 208 CG ARG A 533 68.636 -9.478 4.491 1.00 0.00 C ATOM 209 CD ARG A 533 68.839 -10.790 5.251 1.00 0.00 C ATOM 210 NE ARG A 533 67.593 -11.559 5.285 1.00 0.00 N ATOM 211 CZ ARG A 533 67.517 -12.777 5.843 1.00 0.00 C ATOM 212 NH1 ARG A 533 68.566 -13.343 6.392 1.00 0.00 N ATOM 213 NH2 ARG A 533 66.377 -13.411 5.840 1.00 0.00 N ATOM 0 H ARG A 533 70.251 -8.418 2.714 1.00 0.00 H new ATOM 0 HA ARG A 533 69.811 -11.189 2.750 1.00 0.00 H new ATOM 0 HB2 ARG A 533 67.820 -8.877 2.581 1.00 0.00 H new ATOM 0 HB3 ARG A 533 67.414 -10.518 3.041 1.00 0.00 H new ATOM 0 HG2 ARG A 533 69.558 -8.896 4.497 1.00 0.00 H new ATOM 0 HG3 ARG A 533 67.875 -8.874 4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 533 69.623 -11.377 4.773 1.00 0.00 H new ATOM 0 HD3 ARG A 533 69.172 -10.581 6.267 1.00 0.00 H new ATOM 0 HE ARG A 533 66.754 -11.155 4.870 1.00 0.00 H new ATOM 0 HH11 ARG A 533 69.462 -12.856 6.400 1.00 0.00 H new ATOM 0 HH12 ARG A 533 68.485 -14.270 6.810 1.00 0.00 H new ATOM 0 HH21 ARG A 533 65.555 -12.980 5.416 1.00 0.00 H new ATOM 0 HH22 ARG A 533 66.308 -14.337 6.261 1.00 0.00 H new ATOM 227 N ALA A 534 68.716 -9.633 0.036 1.00 0.00 N ATOM 228 CA ALA A 534 68.281 -9.836 -1.347 1.00 0.00 C ATOM 229 C ALA A 534 69.356 -10.560 -2.160 1.00 0.00 C ATOM 230 O ALA A 534 69.045 -11.381 -3.025 1.00 0.00 O ATOM 231 CB ALA A 534 67.985 -8.483 -1.997 1.00 0.00 C ATOM 0 H ALA A 534 68.793 -8.655 0.314 1.00 0.00 H new ATOM 0 HA ALA A 534 67.380 -10.450 -1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 534 67.661 -8.637 -3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 534 67.196 -7.977 -1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 534 68.886 -7.870 -1.988 1.00 0.00 H new ATOM 237 N MET A 535 70.620 -10.260 -1.862 1.00 0.00 N ATOM 238 CA MET A 535 71.742 -10.824 -2.614 1.00 0.00 C ATOM 239 C MET A 535 71.798 -12.347 -2.467 1.00 0.00 C ATOM 240 O MET A 535 72.283 -13.040 -3.363 1.00 0.00 O ATOM 241 CB MET A 535 73.062 -10.210 -2.136 1.00 0.00 C ATOM 242 CG MET A 535 74.076 -10.189 -3.292 1.00 0.00 C ATOM 243 SD MET A 535 74.007 -8.591 -4.148 1.00 0.00 S ATOM 244 CE MET A 535 72.674 -8.996 -5.305 1.00 0.00 C ATOM 0 H MET A 535 70.893 -9.631 -1.107 1.00 0.00 H new ATOM 0 HA MET A 535 71.592 -10.586 -3.667 1.00 0.00 H new ATOM 0 HB2 MET A 535 72.891 -9.197 -1.771 1.00 0.00 H new ATOM 0 HB3 MET A 535 73.460 -10.786 -1.301 1.00 0.00 H new ATOM 0 HG2 MET A 535 75.081 -10.362 -2.908 1.00 0.00 H new ATOM 0 HG3 MET A 535 73.859 -10.996 -3.992 1.00 0.00 H new ATOM 0 HE1 MET A 535 72.835 -8.468 -6.245 1.00 0.00 H new ATOM 0 HE2 MET A 535 72.666 -10.070 -5.489 1.00 0.00 H new ATOM 0 HE3 MET A 535 71.718 -8.693 -4.879 1.00 0.00 H new ATOM 254 N LYS A 536 71.305 -12.860 -1.338 1.00 0.00 N ATOM 255 CA LYS A 536 71.221 -14.306 -1.144 1.00 0.00 C ATOM 256 C LYS A 536 70.096 -14.912 -1.991 1.00 0.00 C ATOM 257 O LYS A 536 70.084 -16.118 -2.240 1.00 0.00 O ATOM 258 CB LYS A 536 70.987 -14.627 0.334 1.00 0.00 C ATOM 259 CG LYS A 536 72.203 -14.185 1.150 1.00 0.00 C ATOM 260 CD LYS A 536 72.023 -14.615 2.608 1.00 0.00 C ATOM 261 CE LYS A 536 73.186 -14.080 3.445 1.00 0.00 C ATOM 262 NZ LYS A 536 72.946 -12.645 3.770 1.00 0.00 N ATOM 0 H LYS A 536 70.963 -12.303 -0.555 1.00 0.00 H new ATOM 0 HA LYS A 536 72.166 -14.744 -1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 536 70.092 -14.118 0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 536 70.818 -15.696 0.463 1.00 0.00 H new ATOM 0 HG2 LYS A 536 73.110 -14.627 0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 536 72.320 -13.103 1.091 1.00 0.00 H new ATOM 0 HD2 LYS A 536 71.077 -14.236 2.996 1.00 0.00 H new ATOM 0 HD3 LYS A 536 71.982 -15.702 2.675 1.00 0.00 H new ATOM 0 HE2 LYS A 536 73.285 -14.660 4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 536 74.122 -14.188 2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 536 73.846 -12.125 3.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 536 72.281 -12.240 3.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 536 72.544 -12.568 4.726 1.00 0.00 H new ATOM 276 N ASP A 537 69.154 -14.072 -2.429 1.00 0.00 N ATOM 277 CA ASP A 537 68.089 -14.522 -3.321 1.00 0.00 C ATOM 278 C ASP A 537 68.613 -14.624 -4.762 1.00 0.00 C ATOM 279 O ASP A 537 68.970 -13.608 -5.361 1.00 0.00 O ATOM 280 CB ASP A 537 66.916 -13.534 -3.266 1.00 0.00 C ATOM 281 CG ASP A 537 65.697 -14.079 -4.019 1.00 0.00 C ATOM 282 OD1 ASP A 537 65.833 -15.080 -4.706 1.00 0.00 O ATOM 283 OD2 ASP A 537 64.641 -13.482 -3.896 1.00 0.00 O ATOM 0 H ASP A 537 69.109 -13.084 -2.181 1.00 0.00 H new ATOM 0 HA ASP A 537 67.749 -15.506 -2.998 1.00 0.00 H new ATOM 0 HB2 ASP A 537 66.648 -13.340 -2.227 1.00 0.00 H new ATOM 0 HB3 ASP A 537 67.219 -12.581 -3.700 1.00 0.00 H new ATOM 288 N PRO A 538 68.664 -15.817 -5.331 1.00 0.00 N ATOM 289 CA PRO A 538 69.329 -16.033 -6.660 1.00 0.00 C ATOM 290 C PRO A 538 68.763 -15.130 -7.756 1.00 0.00 C ATOM 291 O PRO A 538 69.506 -14.644 -8.612 1.00 0.00 O ATOM 292 CB PRO A 538 69.070 -17.512 -6.986 1.00 0.00 C ATOM 293 CG PRO A 538 67.994 -17.957 -6.056 1.00 0.00 C ATOM 294 CD PRO A 538 68.106 -17.080 -4.817 1.00 0.00 C ATOM 0 HA PRO A 538 70.390 -15.787 -6.612 1.00 0.00 H new ATOM 0 HB2 PRO A 538 68.763 -17.634 -8.025 1.00 0.00 H new ATOM 0 HB3 PRO A 538 69.974 -18.106 -6.849 1.00 0.00 H new ATOM 0 HG2 PRO A 538 67.013 -17.852 -6.519 1.00 0.00 H new ATOM 0 HG3 PRO A 538 68.114 -19.009 -5.799 1.00 0.00 H new ATOM 0 HD2 PRO A 538 67.135 -16.926 -4.346 1.00 0.00 H new ATOM 0 HD3 PRO A 538 68.757 -17.529 -4.066 1.00 0.00 H new ATOM 302 N GLU A 539 67.457 -14.868 -7.699 1.00 0.00 N ATOM 303 CA GLU A 539 66.808 -14.055 -8.728 1.00 0.00 C ATOM 304 C GLU A 539 67.325 -12.622 -8.668 1.00 0.00 C ATOM 305 O GLU A 539 67.594 -12.007 -9.698 1.00 0.00 O ATOM 306 CB GLU A 539 65.286 -14.056 -8.545 1.00 0.00 C ATOM 307 CG GLU A 539 64.767 -15.497 -8.520 1.00 0.00 C ATOM 308 CD GLU A 539 63.242 -15.505 -8.444 1.00 0.00 C ATOM 309 OE1 GLU A 539 62.629 -14.689 -9.114 1.00 0.00 O ATOM 310 OE2 GLU A 539 62.710 -16.327 -7.717 1.00 0.00 O ATOM 0 H GLU A 539 66.835 -15.201 -6.962 1.00 0.00 H new ATOM 0 HA GLU A 539 67.045 -14.488 -9.700 1.00 0.00 H new ATOM 0 HB2 GLU A 539 65.022 -13.549 -7.617 1.00 0.00 H new ATOM 0 HB3 GLU A 539 64.813 -13.503 -9.357 1.00 0.00 H new ATOM 0 HG2 GLU A 539 65.097 -16.026 -9.414 1.00 0.00 H new ATOM 0 HG3 GLU A 539 65.184 -16.027 -7.664 1.00 0.00 H new ATOM 317 N VAL A 540 67.555 -12.130 -7.452 1.00 0.00 N ATOM 318 CA VAL A 540 68.053 -10.768 -7.269 1.00 0.00 C ATOM 319 C VAL A 540 69.461 -10.641 -7.846 1.00 0.00 C ATOM 320 O VAL A 540 69.749 -9.715 -8.601 1.00 0.00 O ATOM 321 CB VAL A 540 68.072 -10.413 -5.777 1.00 0.00 C ATOM 322 CG1 VAL A 540 68.539 -8.966 -5.587 1.00 0.00 C ATOM 323 CG2 VAL A 540 66.665 -10.572 -5.192 1.00 0.00 C ATOM 0 H VAL A 540 67.406 -12.648 -6.586 1.00 0.00 H new ATOM 0 HA VAL A 540 67.390 -10.079 -7.793 1.00 0.00 H new ATOM 0 HB VAL A 540 68.761 -11.083 -5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 540 68.549 -8.723 -4.524 1.00 0.00 H new ATOM 0 HG12 VAL A 540 69.543 -8.851 -5.995 1.00 0.00 H new ATOM 0 HG13 VAL A 540 67.857 -8.292 -6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 540 66.681 -10.319 -4.132 1.00 0.00 H new ATOM 0 HG22 VAL A 540 65.977 -9.907 -5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 540 66.335 -11.604 -5.314 1.00 0.00 H new ATOM 333 N ALA A 541 70.322 -11.602 -7.515 1.00 0.00 N ATOM 334 CA ALA A 541 71.724 -11.547 -7.932 1.00 0.00 C ATOM 335 C ALA A 541 71.829 -11.449 -9.453 1.00 0.00 C ATOM 336 O ALA A 541 72.519 -10.580 -9.991 1.00 0.00 O ATOM 337 CB ALA A 541 72.455 -12.806 -7.450 1.00 0.00 C ATOM 0 H ALA A 541 70.077 -12.424 -6.963 1.00 0.00 H new ATOM 0 HA ALA A 541 72.183 -10.662 -7.491 1.00 0.00 H new ATOM 0 HB1 ALA A 541 73.499 -12.763 -7.762 1.00 0.00 H new ATOM 0 HB2 ALA A 541 72.403 -12.863 -6.363 1.00 0.00 H new ATOM 0 HB3 ALA A 541 71.984 -13.688 -7.882 1.00 0.00 H new ATOM 343 N ALA A 542 71.072 -12.303 -10.135 1.00 0.00 N ATOM 344 CA ALA A 542 71.153 -12.403 -11.593 1.00 0.00 C ATOM 345 C ALA A 542 70.738 -11.093 -12.265 1.00 0.00 C ATOM 346 O ALA A 542 71.406 -10.627 -13.189 1.00 0.00 O ATOM 347 CB ALA A 542 70.254 -13.536 -12.091 1.00 0.00 C ATOM 0 H ALA A 542 70.397 -12.935 -9.705 1.00 0.00 H new ATOM 0 HA ALA A 542 72.190 -12.612 -11.855 1.00 0.00 H new ATOM 0 HB1 ALA A 542 70.321 -13.603 -13.177 1.00 0.00 H new ATOM 0 HB2 ALA A 542 70.578 -14.478 -11.649 1.00 0.00 H new ATOM 0 HB3 ALA A 542 69.222 -13.335 -11.803 1.00 0.00 H new ATOM 353 N ILE A 543 69.638 -10.508 -11.796 1.00 0.00 N ATOM 354 CA ILE A 543 69.097 -9.298 -12.418 1.00 0.00 C ATOM 355 C ILE A 543 70.036 -8.105 -12.200 1.00 0.00 C ATOM 356 O ILE A 543 70.325 -7.360 -13.137 1.00 0.00 O ATOM 357 CB ILE A 543 67.706 -8.991 -11.838 1.00 0.00 C ATOM 358 CG1 ILE A 543 66.790 -10.208 -12.026 1.00 0.00 C ATOM 359 CG2 ILE A 543 67.087 -7.795 -12.572 1.00 0.00 C ATOM 360 CD1 ILE A 543 65.494 -10.007 -11.232 1.00 0.00 C ATOM 0 H ILE A 543 69.106 -10.847 -10.994 1.00 0.00 H new ATOM 0 HA ILE A 543 69.009 -9.470 -13.491 1.00 0.00 H new ATOM 0 HB ILE A 543 67.810 -8.760 -10.778 1.00 0.00 H new ATOM 0 HG12 ILE A 543 66.563 -10.344 -13.083 1.00 0.00 H new ATOM 0 HG13 ILE A 543 67.297 -11.112 -11.690 1.00 0.00 H new ATOM 0 HG21 ILE A 543 66.102 -7.583 -12.156 1.00 0.00 H new ATOM 0 HG22 ILE A 543 67.728 -6.922 -12.450 1.00 0.00 H new ATOM 0 HG23 ILE A 543 66.991 -8.029 -13.632 1.00 0.00 H new ATOM 0 HD11 ILE A 543 64.846 -10.873 -11.368 1.00 0.00 H new ATOM 0 HD12 ILE A 543 65.730 -9.892 -10.174 1.00 0.00 H new ATOM 0 HD13 ILE A 543 64.984 -9.112 -11.589 1.00 0.00 H new ATOM 372 N MET A 544 70.509 -7.932 -10.964 1.00 0.00 N ATOM 373 CA MET A 544 71.339 -6.770 -10.618 1.00 0.00 C ATOM 374 C MET A 544 72.631 -6.745 -11.437 1.00 0.00 C ATOM 375 O MET A 544 73.172 -5.674 -11.721 1.00 0.00 O ATOM 376 CB MET A 544 71.673 -6.790 -9.125 1.00 0.00 C ATOM 377 CG MET A 544 70.393 -6.574 -8.315 1.00 0.00 C ATOM 378 SD MET A 544 70.816 -6.301 -6.576 1.00 0.00 S ATOM 379 CE MET A 544 71.100 -4.518 -6.694 1.00 0.00 C ATOM 0 H MET A 544 70.335 -8.574 -10.190 1.00 0.00 H new ATOM 0 HA MET A 544 70.770 -5.870 -10.852 1.00 0.00 H new ATOM 0 HB2 MET A 544 72.130 -7.742 -8.856 1.00 0.00 H new ATOM 0 HB3 MET A 544 72.399 -6.011 -8.893 1.00 0.00 H new ATOM 0 HG2 MET A 544 69.844 -5.717 -8.705 1.00 0.00 H new ATOM 0 HG3 MET A 544 69.740 -7.441 -8.409 1.00 0.00 H new ATOM 0 HE1 MET A 544 71.186 -4.096 -5.693 1.00 0.00 H new ATOM 0 HE2 MET A 544 72.021 -4.332 -7.246 1.00 0.00 H new ATOM 0 HE3 MET A 544 70.264 -4.050 -7.214 1.00 0.00 H new ATOM 389 N GLN A 545 73.120 -7.928 -11.810 1.00 0.00 N ATOM 390 CA GLN A 545 74.283 -8.024 -12.695 1.00 0.00 C ATOM 391 C GLN A 545 73.905 -7.853 -14.175 1.00 0.00 C ATOM 392 O GLN A 545 74.762 -7.977 -15.052 1.00 0.00 O ATOM 393 CB GLN A 545 74.967 -9.377 -12.502 1.00 0.00 C ATOM 394 CG GLN A 545 75.929 -9.306 -11.313 1.00 0.00 C ATOM 395 CD GLN A 545 76.657 -10.635 -11.152 1.00 0.00 C ATOM 396 OE1 GLN A 545 77.599 -10.922 -11.891 1.00 0.00 O ATOM 397 NE2 GLN A 545 76.275 -11.470 -10.224 1.00 0.00 N ATOM 0 H GLN A 545 72.734 -8.826 -11.517 1.00 0.00 H new ATOM 0 HA GLN A 545 74.961 -7.213 -12.429 1.00 0.00 H new ATOM 0 HB2 GLN A 545 74.220 -10.152 -12.331 1.00 0.00 H new ATOM 0 HB3 GLN A 545 75.511 -9.652 -13.406 1.00 0.00 H new ATOM 0 HG2 GLN A 545 76.650 -8.503 -11.465 1.00 0.00 H new ATOM 0 HG3 GLN A 545 75.378 -9.071 -10.402 1.00 0.00 H new ATOM 0 HE21 GLN A 545 75.494 -11.231 -9.613 1.00 0.00 H new ATOM 0 HE22 GLN A 545 76.757 -12.362 -10.110 1.00 0.00 H new ATOM 406 N ASP A 546 72.632 -7.573 -14.446 1.00 0.00 N ATOM 407 CA ASP A 546 72.163 -7.372 -15.816 1.00 0.00 C ATOM 408 C ASP A 546 71.977 -5.867 -16.085 1.00 0.00 C ATOM 409 O ASP A 546 71.283 -5.187 -15.326 1.00 0.00 O ATOM 410 CB ASP A 546 70.823 -8.105 -15.997 1.00 0.00 C ATOM 411 CG ASP A 546 70.632 -8.588 -17.438 1.00 0.00 C ATOM 412 OD1 ASP A 546 71.575 -8.528 -18.207 1.00 0.00 O ATOM 413 OD2 ASP A 546 69.534 -9.015 -17.750 1.00 0.00 O ATOM 0 H ASP A 546 71.906 -7.480 -13.735 1.00 0.00 H new ATOM 0 HA ASP A 546 72.895 -7.768 -16.519 1.00 0.00 H new ATOM 0 HB2 ASP A 546 70.780 -8.957 -15.319 1.00 0.00 H new ATOM 0 HB3 ASP A 546 70.004 -7.439 -15.725 1.00 0.00 H new ATOM 418 N PRO A 547 72.565 -5.335 -17.141 1.00 0.00 N ATOM 419 CA PRO A 547 72.692 -3.852 -17.317 1.00 0.00 C ATOM 420 C PRO A 547 71.362 -3.161 -17.653 1.00 0.00 C ATOM 421 O PRO A 547 71.258 -1.934 -17.579 1.00 0.00 O ATOM 422 CB PRO A 547 73.693 -3.711 -18.461 1.00 0.00 C ATOM 423 CG PRO A 547 73.502 -4.929 -19.294 1.00 0.00 C ATOM 424 CD PRO A 547 73.042 -6.043 -18.349 1.00 0.00 C ATOM 0 HA PRO A 547 73.012 -3.367 -16.395 1.00 0.00 H new ATOM 0 HB2 PRO A 547 73.507 -2.805 -19.038 1.00 0.00 H new ATOM 0 HB3 PRO A 547 74.714 -3.646 -18.086 1.00 0.00 H new ATOM 0 HG2 PRO A 547 72.761 -4.752 -20.073 1.00 0.00 H new ATOM 0 HG3 PRO A 547 74.430 -5.205 -19.794 1.00 0.00 H new ATOM 0 HD2 PRO A 547 72.248 -6.641 -18.797 1.00 0.00 H new ATOM 0 HD3 PRO A 547 73.859 -6.724 -18.112 1.00 0.00 H new ATOM 432 N VAL A 548 70.345 -3.951 -18.017 1.00 0.00 N ATOM 433 CA VAL A 548 69.075 -3.393 -18.500 1.00 0.00 C ATOM 434 C VAL A 548 68.501 -2.391 -17.492 1.00 0.00 C ATOM 435 O VAL A 548 68.104 -1.287 -17.863 1.00 0.00 O ATOM 436 CB VAL A 548 68.069 -4.536 -18.749 1.00 0.00 C ATOM 437 CG1 VAL A 548 66.662 -3.981 -19.023 1.00 0.00 C ATOM 438 CG2 VAL A 548 68.530 -5.357 -19.955 1.00 0.00 C ATOM 0 H VAL A 548 70.375 -4.970 -17.987 1.00 0.00 H new ATOM 0 HA VAL A 548 69.258 -2.864 -19.435 1.00 0.00 H new ATOM 0 HB VAL A 548 68.027 -5.162 -17.858 1.00 0.00 H new ATOM 0 HG11 VAL A 548 65.972 -4.807 -19.195 1.00 0.00 H new ATOM 0 HG12 VAL A 548 66.326 -3.401 -18.164 1.00 0.00 H new ATOM 0 HG13 VAL A 548 66.689 -3.341 -19.905 1.00 0.00 H new ATOM 0 HG21 VAL A 548 67.823 -6.166 -20.136 1.00 0.00 H new ATOM 0 HG22 VAL A 548 68.580 -4.715 -20.835 1.00 0.00 H new ATOM 0 HG23 VAL A 548 69.517 -5.775 -19.755 1.00 0.00 H new ATOM 448 N MET A 549 68.516 -2.759 -16.218 1.00 0.00 N ATOM 449 CA MET A 549 67.835 -1.965 -15.199 1.00 0.00 C ATOM 450 C MET A 549 68.482 -0.596 -15.037 1.00 0.00 C ATOM 451 O MET A 549 67.791 0.395 -14.804 1.00 0.00 O ATOM 452 CB MET A 549 67.840 -2.700 -13.867 1.00 0.00 C ATOM 453 CG MET A 549 66.958 -3.936 -13.984 1.00 0.00 C ATOM 454 SD MET A 549 66.721 -4.642 -12.345 1.00 0.00 S ATOM 455 CE MET A 549 65.074 -3.970 -12.043 1.00 0.00 C ATOM 0 H MET A 549 68.986 -3.593 -15.866 1.00 0.00 H new ATOM 0 HA MET A 549 66.806 -1.818 -15.526 1.00 0.00 H new ATOM 0 HB2 MET A 549 68.857 -2.986 -13.598 1.00 0.00 H new ATOM 0 HB3 MET A 549 67.472 -2.048 -13.075 1.00 0.00 H new ATOM 0 HG2 MET A 549 65.996 -3.672 -14.423 1.00 0.00 H new ATOM 0 HG3 MET A 549 67.421 -4.668 -14.646 1.00 0.00 H new ATOM 0 HE1 MET A 549 64.740 -4.260 -11.047 1.00 0.00 H new ATOM 0 HE2 MET A 549 65.106 -2.883 -12.113 1.00 0.00 H new ATOM 0 HE3 MET A 549 64.380 -4.361 -12.787 1.00 0.00 H new ATOM 465 N GLN A 550 69.808 -0.536 -15.179 1.00 0.00 N ATOM 466 CA GLN A 550 70.513 0.747 -15.144 1.00 0.00 C ATOM 467 C GLN A 550 69.981 1.670 -16.239 1.00 0.00 C ATOM 468 O GLN A 550 69.724 2.852 -16.001 1.00 0.00 O ATOM 469 CB GLN A 550 72.015 0.525 -15.345 1.00 0.00 C ATOM 470 CG GLN A 550 72.776 1.809 -15.003 1.00 0.00 C ATOM 471 CD GLN A 550 72.956 1.928 -13.492 1.00 0.00 C ATOM 472 OE1 GLN A 550 72.108 1.472 -12.723 1.00 0.00 O ATOM 473 NE2 GLN A 550 74.019 2.519 -13.017 1.00 0.00 N ATOM 0 H GLN A 550 70.408 -1.349 -15.317 1.00 0.00 H new ATOM 0 HA GLN A 550 70.345 1.212 -14.172 1.00 0.00 H new ATOM 0 HB2 GLN A 550 72.360 -0.293 -14.712 1.00 0.00 H new ATOM 0 HB3 GLN A 550 72.215 0.236 -16.377 1.00 0.00 H new ATOM 0 HG2 GLN A 550 73.749 1.805 -15.493 1.00 0.00 H new ATOM 0 HG3 GLN A 550 72.232 2.675 -15.381 1.00 0.00 H new ATOM 0 HE21 GLN A 550 74.720 2.896 -13.654 1.00 0.00 H new ATOM 0 HE22 GLN A 550 74.148 2.603 -12.009 1.00 0.00 H new ATOM 482 N SER A 551 69.775 1.104 -17.428 1.00 0.00 N ATOM 483 CA SER A 551 69.219 1.861 -18.551 1.00 0.00 C ATOM 484 C SER A 551 67.817 2.391 -18.233 1.00 0.00 C ATOM 485 O SER A 551 67.506 3.541 -18.540 1.00 0.00 O ATOM 486 CB SER A 551 69.162 0.984 -19.801 1.00 0.00 C ATOM 487 OG SER A 551 68.786 1.779 -20.917 1.00 0.00 O ATOM 0 H SER A 551 69.984 0.128 -17.639 1.00 0.00 H new ATOM 0 HA SER A 551 69.874 2.714 -18.730 1.00 0.00 H new ATOM 0 HB2 SER A 551 70.133 0.522 -19.980 1.00 0.00 H new ATOM 0 HB3 SER A 551 68.446 0.175 -19.659 1.00 0.00 H new ATOM 0 HG SER A 551 68.750 1.219 -21.720 1.00 0.00 H new ATOM 493 N ILE A 552 66.985 1.566 -17.591 1.00 0.00 N ATOM 494 CA ILE A 552 65.605 1.964 -17.286 1.00 0.00 C ATOM 495 C ILE A 552 65.588 3.171 -16.347 1.00 0.00 C ATOM 496 O ILE A 552 64.893 4.152 -16.600 1.00 0.00 O ATOM 497 CB ILE A 552 64.835 0.795 -16.636 1.00 0.00 C ATOM 498 CG1 ILE A 552 64.947 -0.455 -17.521 1.00 0.00 C ATOM 499 CG2 ILE A 552 63.349 1.170 -16.479 1.00 0.00 C ATOM 500 CD1 ILE A 552 64.389 -1.670 -16.774 1.00 0.00 C ATOM 0 H ILE A 552 67.237 0.629 -17.275 1.00 0.00 H new ATOM 0 HA ILE A 552 65.118 2.235 -18.223 1.00 0.00 H new ATOM 0 HB ILE A 552 65.265 0.590 -15.656 1.00 0.00 H new ATOM 0 HG12 ILE A 552 64.398 -0.304 -18.451 1.00 0.00 H new ATOM 0 HG13 ILE A 552 65.989 -0.629 -17.791 1.00 0.00 H new ATOM 0 HG21 ILE A 552 62.811 0.341 -16.020 1.00 0.00 H new ATOM 0 HG22 ILE A 552 63.262 2.054 -15.847 1.00 0.00 H new ATOM 0 HG23 ILE A 552 62.922 1.381 -17.459 1.00 0.00 H new ATOM 0 HD11 ILE A 552 64.471 -2.554 -17.406 1.00 0.00 H new ATOM 0 HD12 ILE A 552 64.957 -1.826 -15.857 1.00 0.00 H new ATOM 0 HD13 ILE A 552 63.342 -1.496 -16.527 1.00 0.00 H new ATOM 512 N LEU A 553 66.375 3.096 -15.274 1.00 0.00 N ATOM 513 CA LEU A 553 66.416 4.171 -14.277 1.00 0.00 C ATOM 514 C LEU A 553 66.832 5.499 -14.913 1.00 0.00 C ATOM 515 O LEU A 553 66.164 6.520 -14.731 1.00 0.00 O ATOM 516 CB LEU A 553 67.398 3.812 -13.157 1.00 0.00 C ATOM 517 CG LEU A 553 66.923 2.544 -12.442 1.00 0.00 C ATOM 518 CD1 LEU A 553 68.021 2.049 -11.500 1.00 0.00 C ATOM 519 CD2 LEU A 553 65.661 2.855 -11.630 1.00 0.00 C ATOM 0 H LEU A 553 66.990 2.308 -15.071 1.00 0.00 H new ATOM 0 HA LEU A 553 65.414 4.283 -13.864 1.00 0.00 H new ATOM 0 HB2 LEU A 553 68.395 3.657 -13.570 1.00 0.00 H new ATOM 0 HB3 LEU A 553 67.472 4.636 -12.447 1.00 0.00 H new ATOM 0 HG LEU A 553 66.700 1.774 -13.181 1.00 0.00 H new ATOM 0 HD11 LEU A 553 67.684 1.146 -10.991 1.00 0.00 H new ATOM 0 HD12 LEU A 553 68.920 1.827 -12.074 1.00 0.00 H new ATOM 0 HD13 LEU A 553 68.243 2.820 -10.763 1.00 0.00 H new ATOM 0 HD21 LEU A 553 65.324 1.952 -11.122 1.00 0.00 H new ATOM 0 HD22 LEU A 553 65.884 3.625 -10.892 1.00 0.00 H new ATOM 0 HD23 LEU A 553 64.876 3.209 -12.298 1.00 0.00 H new ATOM 531 N GLN A 554 67.902 5.467 -15.710 1.00 0.00 N ATOM 532 CA GLN A 554 68.383 6.678 -16.378 1.00 0.00 C ATOM 533 C GLN A 554 67.287 7.281 -17.256 1.00 0.00 C ATOM 534 O GLN A 554 66.902 8.438 -17.078 1.00 0.00 O ATOM 535 CB GLN A 554 69.607 6.352 -17.239 1.00 0.00 C ATOM 536 CG GLN A 554 70.765 5.920 -16.338 1.00 0.00 C ATOM 537 CD GLN A 554 72.015 5.678 -17.176 1.00 0.00 C ATOM 538 OE1 GLN A 554 72.695 6.628 -17.565 1.00 0.00 O ATOM 539 NE2 GLN A 554 72.360 4.457 -17.480 1.00 0.00 N ATOM 0 H GLN A 554 68.446 4.627 -15.907 1.00 0.00 H new ATOM 0 HA GLN A 554 68.660 7.403 -15.613 1.00 0.00 H new ATOM 0 HB2 GLN A 554 69.366 5.558 -17.946 1.00 0.00 H new ATOM 0 HB3 GLN A 554 69.895 7.224 -17.826 1.00 0.00 H new ATOM 0 HG2 GLN A 554 70.961 6.689 -15.591 1.00 0.00 H new ATOM 0 HG3 GLN A 554 70.497 5.012 -15.798 1.00 0.00 H new ATOM 0 HE21 GLN A 554 71.795 3.672 -17.156 1.00 0.00 H new ATOM 0 HE22 GLN A 554 73.195 4.288 -18.041 1.00 0.00 H new ATOM 548 N GLN A 555 66.683 6.445 -18.099 1.00 0.00 N ATOM 549 CA GLN A 555 65.669 6.912 -19.043 1.00 0.00 C ATOM 550 C GLN A 555 64.480 7.539 -18.310 1.00 0.00 C ATOM 551 O GLN A 555 63.923 8.540 -18.761 1.00 0.00 O ATOM 552 CB GLN A 555 65.180 5.743 -19.901 1.00 0.00 C ATOM 553 CG GLN A 555 64.491 6.281 -21.157 1.00 0.00 C ATOM 554 CD GLN A 555 64.015 5.125 -22.034 1.00 0.00 C ATOM 555 OE1 GLN A 555 64.637 4.063 -22.059 1.00 0.00 O ATOM 556 NE2 GLN A 555 62.939 5.270 -22.758 1.00 0.00 N ATOM 0 H GLN A 555 66.877 5.445 -18.148 1.00 0.00 H new ATOM 0 HA GLN A 555 66.123 7.672 -19.679 1.00 0.00 H new ATOM 0 HB2 GLN A 555 66.020 5.107 -20.179 1.00 0.00 H new ATOM 0 HB3 GLN A 555 64.487 5.125 -19.330 1.00 0.00 H new ATOM 0 HG2 GLN A 555 63.644 6.907 -20.876 1.00 0.00 H new ATOM 0 HG3 GLN A 555 65.181 6.912 -21.717 1.00 0.00 H new ATOM 0 HE21 GLN A 555 62.425 6.150 -22.736 1.00 0.00 H new ATOM 0 HE22 GLN A 555 62.612 4.503 -23.346 1.00 0.00 H new ATOM 565 N ALA A 556 64.099 6.940 -17.179 1.00 0.00 N ATOM 566 CA ALA A 556 62.969 7.435 -16.392 1.00 0.00 C ATOM 567 C ALA A 556 63.231 8.845 -15.868 1.00 0.00 C ATOM 568 O ALA A 556 62.307 9.653 -15.761 1.00 0.00 O ATOM 569 CB ALA A 556 62.698 6.497 -15.214 1.00 0.00 C ATOM 0 H ALA A 556 64.555 6.115 -16.790 1.00 0.00 H new ATOM 0 HA ALA A 556 62.098 7.467 -17.046 1.00 0.00 H new ATOM 0 HB1 ALA A 556 61.855 6.874 -14.635 1.00 0.00 H new ATOM 0 HB2 ALA A 556 62.464 5.501 -15.589 1.00 0.00 H new ATOM 0 HB3 ALA A 556 63.582 6.447 -14.578 1.00 0.00 H new ATOM 575 N GLN A 557 64.491 9.138 -15.541 1.00 0.00 N ATOM 576 CA GLN A 557 64.859 10.471 -15.067 1.00 0.00 C ATOM 577 C GLN A 557 64.660 11.498 -16.179 1.00 0.00 C ATOM 578 O GLN A 557 64.216 12.620 -15.933 1.00 0.00 O ATOM 579 CB GLN A 557 66.321 10.484 -14.616 1.00 0.00 C ATOM 580 CG GLN A 557 66.491 9.559 -13.409 1.00 0.00 C ATOM 581 CD GLN A 557 67.949 9.542 -12.959 1.00 0.00 C ATOM 582 OE1 GLN A 557 68.858 9.659 -13.783 1.00 0.00 O ATOM 583 NE2 GLN A 557 68.229 9.403 -11.692 1.00 0.00 N ATOM 0 H GLN A 557 65.266 8.477 -15.595 1.00 0.00 H new ATOM 0 HA GLN A 557 64.220 10.728 -14.222 1.00 0.00 H new ATOM 0 HB2 GLN A 557 66.967 10.158 -15.431 1.00 0.00 H new ATOM 0 HB3 GLN A 557 66.623 11.498 -14.356 1.00 0.00 H new ATOM 0 HG2 GLN A 557 65.854 9.896 -12.591 1.00 0.00 H new ATOM 0 HG3 GLN A 557 66.171 8.550 -13.667 1.00 0.00 H new ATOM 0 HE21 GLN A 557 67.476 9.306 -11.011 1.00 0.00 H new ATOM 0 HE22 GLN A 557 69.201 9.391 -11.383 1.00 0.00 H new ATOM 592 N GLN A 558 64.998 11.096 -17.404 1.00 0.00 N ATOM 593 CA GLN A 558 64.780 11.945 -18.572 1.00 0.00 C ATOM 594 C GLN A 558 63.286 12.115 -18.852 1.00 0.00 C ATOM 595 O GLN A 558 62.855 13.173 -19.315 1.00 0.00 O ATOM 596 CB GLN A 558 65.460 11.333 -19.799 1.00 0.00 C ATOM 597 CG GLN A 558 66.974 11.290 -19.575 1.00 0.00 C ATOM 598 CD GLN A 558 67.673 10.780 -20.831 1.00 0.00 C ATOM 599 OE1 GLN A 558 67.837 11.525 -21.797 1.00 0.00 O ATOM 600 NE2 GLN A 558 68.097 9.547 -20.876 1.00 0.00 N ATOM 0 H GLN A 558 65.422 10.192 -17.612 1.00 0.00 H new ATOM 0 HA GLN A 558 65.211 12.924 -18.364 1.00 0.00 H new ATOM 0 HB2 GLN A 558 65.079 10.327 -19.975 1.00 0.00 H new ATOM 0 HB3 GLN A 558 65.230 11.921 -20.687 1.00 0.00 H new ATOM 0 HG2 GLN A 558 67.341 12.285 -19.323 1.00 0.00 H new ATOM 0 HG3 GLN A 558 67.207 10.641 -18.731 1.00 0.00 H new ATOM 0 HE21 GLN A 558 67.960 8.931 -20.075 1.00 0.00 H new ATOM 0 HE22 GLN A 558 68.565 9.199 -21.713 1.00 0.00 H new ATOM 609 N ASN A 559 62.501 11.072 -18.569 1.00 0.00 N ATOM 610 CA ASN A 559 61.063 11.115 -18.819 1.00 0.00 C ATOM 611 C ASN A 559 60.353 9.983 -18.064 1.00 0.00 C ATOM 612 O ASN A 559 60.725 8.818 -18.207 1.00 0.00 O ATOM 613 CB ASN A 559 60.799 10.975 -20.318 1.00 0.00 C ATOM 614 CG ASN A 559 59.456 11.604 -20.674 1.00 0.00 C ATOM 615 OD1 ASN A 559 58.518 10.899 -21.047 1.00 0.00 O ATOM 616 ND2 ASN A 559 59.308 12.897 -20.582 1.00 0.00 N ATOM 0 H ASN A 559 62.836 10.195 -18.170 1.00 0.00 H new ATOM 0 HA ASN A 559 60.674 12.070 -18.466 1.00 0.00 H new ATOM 0 HB2 ASN A 559 61.597 11.458 -20.882 1.00 0.00 H new ATOM 0 HB3 ASN A 559 60.802 9.922 -20.599 1.00 0.00 H new ATOM 0 HD21 ASN A 559 58.414 13.326 -20.819 1.00 0.00 H new ATOM 0 HD22 ASN A 559 60.087 13.479 -20.273 1.00 0.00 H new ATOM 623 N PRO A 560 59.312 10.287 -17.313 1.00 0.00 N ATOM 624 CA PRO A 560 58.702 9.292 -16.369 1.00 0.00 C ATOM 625 C PRO A 560 58.072 8.094 -17.090 1.00 0.00 C ATOM 626 O PRO A 560 57.865 7.041 -16.485 1.00 0.00 O ATOM 627 CB PRO A 560 57.639 10.098 -15.618 1.00 0.00 C ATOM 628 CG PRO A 560 57.277 11.219 -16.528 1.00 0.00 C ATOM 629 CD PRO A 560 58.533 11.544 -17.334 1.00 0.00 C ATOM 0 HA PRO A 560 59.454 8.853 -15.714 1.00 0.00 H new ATOM 0 HB2 PRO A 560 56.769 9.483 -15.388 1.00 0.00 H new ATOM 0 HB3 PRO A 560 58.026 10.471 -14.670 1.00 0.00 H new ATOM 0 HG2 PRO A 560 56.456 10.935 -17.186 1.00 0.00 H new ATOM 0 HG3 PRO A 560 56.944 12.088 -15.960 1.00 0.00 H new ATOM 0 HD2 PRO A 560 58.286 11.843 -18.353 1.00 0.00 H new ATOM 0 HD3 PRO A 560 59.092 12.366 -16.887 1.00 0.00 H new ATOM 637 N ALA A 561 57.772 8.260 -18.378 1.00 0.00 N ATOM 638 CA ALA A 561 57.135 7.197 -19.159 1.00 0.00 C ATOM 639 C ALA A 561 58.072 6.000 -19.359 1.00 0.00 C ATOM 640 O ALA A 561 57.611 4.882 -19.595 1.00 0.00 O ATOM 641 CB ALA A 561 56.705 7.739 -20.524 1.00 0.00 C ATOM 0 H ALA A 561 57.958 9.115 -18.902 1.00 0.00 H new ATOM 0 HA ALA A 561 56.263 6.856 -18.601 1.00 0.00 H new ATOM 0 HB1 ALA A 561 56.232 6.943 -21.099 1.00 0.00 H new ATOM 0 HB2 ALA A 561 55.997 8.556 -20.385 1.00 0.00 H new ATOM 0 HB3 ALA A 561 57.579 8.105 -21.062 1.00 0.00 H new ATOM 647 N ALA A 562 59.382 6.228 -19.233 1.00 0.00 N ATOM 648 CA ALA A 562 60.367 5.226 -19.643 1.00 0.00 C ATOM 649 C ALA A 562 60.242 3.953 -18.805 1.00 0.00 C ATOM 650 O ALA A 562 60.067 2.856 -19.346 1.00 0.00 O ATOM 651 CB ALA A 562 61.779 5.794 -19.497 1.00 0.00 C ATOM 0 H ALA A 562 59.781 7.087 -18.855 1.00 0.00 H new ATOM 0 HA ALA A 562 60.176 4.973 -20.686 1.00 0.00 H new ATOM 0 HB1 ALA A 562 62.507 5.043 -19.804 1.00 0.00 H new ATOM 0 HB2 ALA A 562 61.882 6.678 -20.126 1.00 0.00 H new ATOM 0 HB3 ALA A 562 61.956 6.067 -18.457 1.00 0.00 H new ATOM 657 N LEU A 563 60.260 4.105 -17.483 1.00 0.00 N ATOM 658 CA LEU A 563 60.228 2.940 -16.604 1.00 0.00 C ATOM 659 C LEU A 563 58.863 2.251 -16.655 1.00 0.00 C ATOM 660 O LEU A 563 58.765 1.041 -16.458 1.00 0.00 O ATOM 661 CB LEU A 563 60.614 3.302 -15.153 1.00 0.00 C ATOM 662 CG LEU A 563 59.874 4.546 -14.628 1.00 0.00 C ATOM 663 CD1 LEU A 563 58.385 4.242 -14.403 1.00 0.00 C ATOM 664 CD2 LEU A 563 60.518 4.967 -13.302 1.00 0.00 C ATOM 0 H LEU A 563 60.296 5.005 -17.004 1.00 0.00 H new ATOM 0 HA LEU A 563 60.977 2.238 -16.971 1.00 0.00 H new ATOM 0 HB2 LEU A 563 60.397 2.455 -14.503 1.00 0.00 H new ATOM 0 HB3 LEU A 563 61.689 3.476 -15.101 1.00 0.00 H new ATOM 0 HG LEU A 563 59.949 5.347 -15.363 1.00 0.00 H new ATOM 0 HD11 LEU A 563 57.883 5.136 -14.032 1.00 0.00 H new ATOM 0 HD12 LEU A 563 57.930 3.935 -15.345 1.00 0.00 H new ATOM 0 HD13 LEU A 563 58.284 3.440 -13.672 1.00 0.00 H new ATOM 0 HD21 LEU A 563 60.007 5.848 -12.913 1.00 0.00 H new ATOM 0 HD22 LEU A 563 60.435 4.152 -12.583 1.00 0.00 H new ATOM 0 HD23 LEU A 563 61.570 5.200 -13.466 1.00 0.00 H new ATOM 676 N GLN A 564 57.807 3.026 -16.933 1.00 0.00 N ATOM 677 CA GLN A 564 56.454 2.469 -16.987 1.00 0.00 C ATOM 678 C GLN A 564 56.351 1.403 -18.077 1.00 0.00 C ATOM 679 O GLN A 564 56.078 0.238 -17.786 1.00 0.00 O ATOM 680 CB GLN A 564 55.442 3.584 -17.267 1.00 0.00 C ATOM 681 CG GLN A 564 54.024 3.070 -17.002 1.00 0.00 C ATOM 682 CD GLN A 564 53.001 4.120 -17.424 1.00 0.00 C ATOM 683 OE1 GLN A 564 52.908 4.458 -18.603 1.00 0.00 O ATOM 684 NE2 GLN A 564 52.225 4.658 -16.523 1.00 0.00 N ATOM 0 H GLN A 564 57.863 4.027 -17.121 1.00 0.00 H new ATOM 0 HA GLN A 564 56.234 2.008 -16.024 1.00 0.00 H new ATOM 0 HB2 GLN A 564 55.651 4.446 -16.634 1.00 0.00 H new ATOM 0 HB3 GLN A 564 55.531 3.919 -18.301 1.00 0.00 H new ATOM 0 HG2 GLN A 564 53.855 2.144 -17.552 1.00 0.00 H new ATOM 0 HG3 GLN A 564 53.904 2.838 -15.944 1.00 0.00 H new ATOM 0 HE21 GLN A 564 52.305 4.375 -15.546 1.00 0.00 H new ATOM 0 HE22 GLN A 564 51.538 5.361 -16.796 1.00 0.00 H new ATOM 693 N GLU A 565 56.746 1.765 -19.299 1.00 0.00 N ATOM 694 CA GLU A 565 56.675 0.833 -20.429 1.00 0.00 C ATOM 695 C GLU A 565 57.552 -0.397 -20.185 1.00 0.00 C ATOM 696 O GLU A 565 57.275 -1.480 -20.703 1.00 0.00 O ATOM 697 CB GLU A 565 57.106 1.533 -21.722 1.00 0.00 C ATOM 698 CG GLU A 565 58.516 2.113 -21.568 1.00 0.00 C ATOM 699 CD GLU A 565 59.084 2.475 -22.936 1.00 0.00 C ATOM 700 OE1 GLU A 565 58.458 3.266 -23.624 1.00 0.00 O ATOM 701 OE2 GLU A 565 60.134 1.957 -23.276 1.00 0.00 O ATOM 0 H GLU A 565 57.115 2.687 -19.532 1.00 0.00 H new ATOM 0 HA GLU A 565 55.641 0.502 -20.528 1.00 0.00 H new ATOM 0 HB2 GLU A 565 57.085 0.826 -22.551 1.00 0.00 H new ATOM 0 HB3 GLU A 565 56.402 2.329 -21.964 1.00 0.00 H new ATOM 0 HG2 GLU A 565 58.487 2.998 -20.932 1.00 0.00 H new ATOM 0 HG3 GLU A 565 59.165 1.388 -21.076 1.00 0.00 H new ATOM 708 N HIS A 566 58.612 -0.216 -19.395 1.00 0.00 N ATOM 709 CA HIS A 566 59.477 -1.333 -19.021 1.00 0.00 C ATOM 710 C HIS A 566 58.721 -2.344 -18.156 1.00 0.00 C ATOM 711 O HIS A 566 58.717 -3.537 -18.454 1.00 0.00 O ATOM 712 CB HIS A 566 60.703 -0.818 -18.266 1.00 0.00 C ATOM 713 CG HIS A 566 61.799 -0.349 -19.184 1.00 0.00 C ATOM 714 ND1 HIS A 566 62.163 0.985 -19.277 1.00 0.00 N ATOM 715 CD2 HIS A 566 62.608 -1.022 -20.066 1.00 0.00 C ATOM 716 CE1 HIS A 566 63.152 1.072 -20.187 1.00 0.00 C ATOM 717 NE2 HIS A 566 63.462 -0.122 -20.698 1.00 0.00 N ATOM 0 H HIS A 566 58.889 0.685 -19.006 1.00 0.00 H new ATOM 0 HA HIS A 566 59.800 -1.834 -19.934 1.00 0.00 H new ATOM 0 HB2 HIS A 566 60.404 0.004 -17.615 1.00 0.00 H new ATOM 0 HB3 HIS A 566 61.088 -1.610 -17.624 1.00 0.00 H new ATOM 0 HD1 HIS A 566 61.756 1.759 -18.752 1.00 0.00 H new ATOM 0 HD2 HIS A 566 62.585 -2.087 -20.243 1.00 0.00 H new ATOM 0 HE1 HIS A 566 63.636 1.995 -20.469 1.00 0.00 H new ATOM 725 N MET A 567 58.021 -1.854 -17.133 1.00 0.00 N ATOM 726 CA MET A 567 57.324 -2.737 -16.195 1.00 0.00 C ATOM 727 C MET A 567 56.236 -3.541 -16.909 1.00 0.00 C ATOM 728 O MET A 567 55.989 -4.698 -16.569 1.00 0.00 O ATOM 729 CB MET A 567 56.692 -1.910 -15.072 1.00 0.00 C ATOM 730 CG MET A 567 56.260 -2.835 -13.933 1.00 0.00 C ATOM 731 SD MET A 567 55.333 -1.886 -12.701 1.00 0.00 S ATOM 732 CE MET A 567 56.675 -0.774 -12.215 1.00 0.00 C ATOM 0 H MET A 567 57.921 -0.859 -16.933 1.00 0.00 H new ATOM 0 HA MET A 567 58.052 -3.431 -15.775 1.00 0.00 H new ATOM 0 HB2 MET A 567 57.406 -1.173 -14.704 1.00 0.00 H new ATOM 0 HB3 MET A 567 55.832 -1.359 -15.452 1.00 0.00 H new ATOM 0 HG2 MET A 567 55.643 -3.645 -14.322 1.00 0.00 H new ATOM 0 HG3 MET A 567 57.135 -3.294 -13.471 1.00 0.00 H new ATOM 0 HE1 MET A 567 56.499 -0.412 -11.202 1.00 0.00 H new ATOM 0 HE2 MET A 567 57.623 -1.311 -12.248 1.00 0.00 H new ATOM 0 HE3 MET A 567 56.713 0.072 -12.901 1.00 0.00 H new ATOM 742 N LYS A 568 55.608 -2.931 -17.914 1.00 0.00 N ATOM 743 CA LYS A 568 54.563 -3.612 -18.678 1.00 0.00 C ATOM 744 C LYS A 568 55.160 -4.743 -19.517 1.00 0.00 C ATOM 745 O LYS A 568 54.514 -5.768 -19.739 1.00 0.00 O ATOM 746 CB LYS A 568 53.844 -2.617 -19.592 1.00 0.00 C ATOM 747 CG LYS A 568 53.094 -1.591 -18.740 1.00 0.00 C ATOM 748 CD LYS A 568 52.281 -0.668 -19.650 1.00 0.00 C ATOM 749 CE LYS A 568 51.604 0.414 -18.807 1.00 0.00 C ATOM 750 NZ LYS A 568 50.636 -0.222 -17.869 1.00 0.00 N ATOM 0 H LYS A 568 55.802 -1.976 -18.216 1.00 0.00 H new ATOM 0 HA LYS A 568 53.847 -4.037 -17.975 1.00 0.00 H new ATOM 0 HB2 LYS A 568 54.564 -2.113 -20.237 1.00 0.00 H new ATOM 0 HB3 LYS A 568 53.147 -3.144 -20.244 1.00 0.00 H new ATOM 0 HG2 LYS A 568 52.434 -2.099 -18.037 1.00 0.00 H new ATOM 0 HG3 LYS A 568 53.800 -1.007 -18.150 1.00 0.00 H new ATOM 0 HD2 LYS A 568 52.931 -0.210 -20.395 1.00 0.00 H new ATOM 0 HD3 LYS A 568 51.531 -1.243 -20.193 1.00 0.00 H new ATOM 0 HE2 LYS A 568 52.352 0.977 -18.249 1.00 0.00 H new ATOM 0 HE3 LYS A 568 51.088 1.124 -19.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 49.989 0.501 -17.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 50.089 -0.948 -18.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 51.154 -0.664 -17.083 1.00 0.00 H new ATOM 764 N ASN A 569 56.397 -4.547 -19.981 1.00 0.00 N ATOM 765 CA ASN A 569 57.097 -5.574 -20.755 1.00 0.00 C ATOM 766 C ASN A 569 57.363 -6.811 -19.884 1.00 0.00 C ATOM 767 O ASN A 569 57.804 -6.677 -18.741 1.00 0.00 O ATOM 768 CB ASN A 569 58.427 -5.012 -21.275 1.00 0.00 C ATOM 769 CG ASN A 569 58.806 -5.677 -22.594 1.00 0.00 C ATOM 770 OD1 ASN A 569 59.881 -6.268 -22.707 1.00 0.00 O ATOM 771 ND2 ASN A 569 57.983 -5.618 -23.604 1.00 0.00 N ATOM 0 H ASN A 569 56.932 -3.691 -19.835 1.00 0.00 H new ATOM 0 HA ASN A 569 56.471 -5.866 -21.598 1.00 0.00 H new ATOM 0 HB2 ASN A 569 58.344 -3.934 -21.415 1.00 0.00 H new ATOM 0 HB3 ASN A 569 59.212 -5.178 -20.538 1.00 0.00 H new ATOM 0 HD21 ASN A 569 58.229 -6.062 -24.489 1.00 0.00 H new ATOM 0 HD22 ASN A 569 57.093 -5.128 -23.509 1.00 0.00 H new ATOM 778 N PRO A 570 57.117 -8.003 -20.395 1.00 0.00 N ATOM 779 CA PRO A 570 57.122 -9.237 -19.545 1.00 0.00 C ATOM 780 C PRO A 570 58.505 -9.549 -18.973 1.00 0.00 C ATOM 781 O PRO A 570 58.634 -9.880 -17.793 1.00 0.00 O ATOM 782 CB PRO A 570 56.655 -10.349 -20.492 1.00 0.00 C ATOM 783 CG PRO A 570 56.962 -9.857 -21.863 1.00 0.00 C ATOM 784 CD PRO A 570 56.861 -8.335 -21.812 1.00 0.00 C ATOM 0 HA PRO A 570 56.479 -9.123 -18.672 1.00 0.00 H new ATOM 0 HB2 PRO A 570 57.174 -11.285 -20.285 1.00 0.00 H new ATOM 0 HB3 PRO A 570 55.589 -10.543 -20.374 1.00 0.00 H new ATOM 0 HG2 PRO A 570 57.959 -10.169 -22.172 1.00 0.00 H new ATOM 0 HG3 PRO A 570 56.260 -10.268 -22.589 1.00 0.00 H new ATOM 0 HD2 PRO A 570 57.592 -7.865 -22.470 1.00 0.00 H new ATOM 0 HD3 PRO A 570 55.877 -7.990 -22.131 1.00 0.00 H new ATOM 792 N GLU A 571 59.541 -9.387 -19.797 1.00 0.00 N ATOM 793 CA GLU A 571 60.894 -9.751 -19.382 1.00 0.00 C ATOM 794 C GLU A 571 61.384 -8.787 -18.308 1.00 0.00 C ATOM 795 O GLU A 571 61.893 -9.203 -17.261 1.00 0.00 O ATOM 796 CB GLU A 571 61.839 -9.715 -20.586 1.00 0.00 C ATOM 797 CG GLU A 571 63.160 -10.397 -20.220 1.00 0.00 C ATOM 798 CD GLU A 571 64.178 -10.204 -21.340 1.00 0.00 C ATOM 799 OE1 GLU A 571 64.254 -9.104 -21.863 1.00 0.00 O ATOM 800 OE2 GLU A 571 64.868 -11.159 -21.656 1.00 0.00 O ATOM 0 H GLU A 571 59.471 -9.011 -20.743 1.00 0.00 H new ATOM 0 HA GLU A 571 60.880 -10.762 -18.974 1.00 0.00 H new ATOM 0 HB2 GLU A 571 61.381 -10.220 -21.437 1.00 0.00 H new ATOM 0 HB3 GLU A 571 62.021 -8.684 -20.888 1.00 0.00 H new ATOM 0 HG2 GLU A 571 63.548 -9.981 -19.290 1.00 0.00 H new ATOM 0 HG3 GLU A 571 62.994 -11.461 -20.048 1.00 0.00 H new ATOM 807 N VAL A 572 61.135 -7.500 -18.528 1.00 0.00 N ATOM 808 CA VAL A 572 61.507 -6.489 -17.550 1.00 0.00 C ATOM 809 C VAL A 572 60.577 -6.576 -16.340 1.00 0.00 C ATOM 810 O VAL A 572 61.006 -6.364 -15.215 1.00 0.00 O ATOM 811 CB VAL A 572 61.447 -5.090 -18.176 1.00 0.00 C ATOM 812 CG1 VAL A 572 61.898 -4.033 -17.157 1.00 0.00 C ATOM 813 CG2 VAL A 572 62.371 -5.036 -19.395 1.00 0.00 C ATOM 0 H VAL A 572 60.682 -7.137 -19.367 1.00 0.00 H new ATOM 0 HA VAL A 572 62.531 -6.671 -17.223 1.00 0.00 H new ATOM 0 HB VAL A 572 60.420 -4.883 -18.478 1.00 0.00 H new ATOM 0 HG11 VAL A 572 61.851 -3.044 -17.613 1.00 0.00 H new ATOM 0 HG12 VAL A 572 61.242 -4.063 -16.287 1.00 0.00 H new ATOM 0 HG13 VAL A 572 62.922 -4.241 -16.846 1.00 0.00 H new ATOM 0 HG21 VAL A 572 62.328 -4.042 -19.840 1.00 0.00 H new ATOM 0 HG22 VAL A 572 63.394 -5.252 -19.086 1.00 0.00 H new ATOM 0 HG23 VAL A 572 62.050 -5.776 -20.128 1.00 0.00 H new ATOM 823 N PHE A 573 59.314 -6.951 -16.573 1.00 0.00 N ATOM 824 CA PHE A 573 58.334 -7.061 -15.486 1.00 0.00 C ATOM 825 C PHE A 573 58.862 -7.963 -14.366 1.00 0.00 C ATOM 826 O PHE A 573 58.821 -7.592 -13.193 1.00 0.00 O ATOM 827 CB PHE A 573 57.017 -7.627 -16.040 1.00 0.00 C ATOM 828 CG PHE A 573 55.943 -7.863 -14.996 1.00 0.00 C ATOM 829 CD1 PHE A 573 55.305 -6.766 -14.366 1.00 0.00 C ATOM 830 CD2 PHE A 573 55.570 -9.187 -14.658 1.00 0.00 C ATOM 831 CE1 PHE A 573 54.296 -6.994 -13.400 1.00 0.00 C ATOM 832 CE2 PHE A 573 54.562 -9.414 -13.691 1.00 0.00 C ATOM 833 CZ PHE A 573 53.924 -8.317 -13.062 1.00 0.00 C ATOM 0 H PHE A 573 58.948 -7.182 -17.497 1.00 0.00 H new ATOM 0 HA PHE A 573 58.159 -6.069 -15.070 1.00 0.00 H new ATOM 0 HB2 PHE A 573 56.629 -6.940 -16.792 1.00 0.00 H new ATOM 0 HB3 PHE A 573 57.226 -8.569 -16.547 1.00 0.00 H new ATOM 0 HD1 PHE A 573 55.589 -5.756 -14.623 1.00 0.00 H new ATOM 0 HD2 PHE A 573 56.055 -10.024 -15.139 1.00 0.00 H new ATOM 0 HE1 PHE A 573 53.809 -6.158 -12.920 1.00 0.00 H new ATOM 0 HE2 PHE A 573 54.279 -10.424 -13.433 1.00 0.00 H new ATOM 0 HZ PHE A 573 53.154 -8.490 -12.325 1.00 0.00 H new ATOM 843 N LYS A 574 59.414 -9.117 -14.745 1.00 0.00 N ATOM 844 CA LYS A 574 60.026 -10.023 -13.770 1.00 0.00 C ATOM 845 C LYS A 574 61.181 -9.333 -13.036 1.00 0.00 C ATOM 846 O LYS A 574 61.250 -9.355 -11.807 1.00 0.00 O ATOM 847 CB LYS A 574 60.551 -11.275 -14.481 1.00 0.00 C ATOM 848 CG LYS A 574 60.913 -12.343 -13.445 1.00 0.00 C ATOM 849 CD LYS A 574 61.378 -13.614 -14.160 1.00 0.00 C ATOM 850 CE LYS A 574 62.764 -13.384 -14.765 1.00 0.00 C ATOM 851 NZ LYS A 574 63.206 -14.616 -15.476 1.00 0.00 N ATOM 0 H LYS A 574 59.450 -9.445 -15.710 1.00 0.00 H new ATOM 0 HA LYS A 574 59.266 -10.305 -13.041 1.00 0.00 H new ATOM 0 HB2 LYS A 574 59.795 -11.660 -15.166 1.00 0.00 H new ATOM 0 HB3 LYS A 574 61.426 -11.025 -15.080 1.00 0.00 H new ATOM 0 HG2 LYS A 574 61.701 -11.974 -12.788 1.00 0.00 H new ATOM 0 HG3 LYS A 574 60.050 -12.562 -12.817 1.00 0.00 H new ATOM 0 HD2 LYS A 574 61.410 -14.447 -13.458 1.00 0.00 H new ATOM 0 HD3 LYS A 574 60.669 -13.884 -14.942 1.00 0.00 H new ATOM 0 HE2 LYS A 574 62.735 -12.542 -15.457 1.00 0.00 H new ATOM 0 HE3 LYS A 574 63.477 -13.128 -13.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 574 64.148 -14.460 -15.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 574 63.249 -15.408 -14.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 574 62.530 -14.841 -16.234 1.00 0.00 H new ATOM 865 N LYS A 575 62.044 -8.662 -13.798 1.00 0.00 N ATOM 866 CA LYS A 575 63.243 -8.037 -13.229 1.00 0.00 C ATOM 867 C LYS A 575 62.882 -6.920 -12.246 1.00 0.00 C ATOM 868 O LYS A 575 63.302 -6.933 -11.084 1.00 0.00 O ATOM 869 CB LYS A 575 64.105 -7.458 -14.349 1.00 0.00 C ATOM 870 CG LYS A 575 64.758 -8.594 -15.137 1.00 0.00 C ATOM 871 CD LYS A 575 65.784 -8.012 -16.111 1.00 0.00 C ATOM 872 CE LYS A 575 66.432 -9.145 -16.909 1.00 0.00 C ATOM 873 NZ LYS A 575 65.446 -9.696 -17.879 1.00 0.00 N ATOM 0 H LYS A 575 61.939 -8.536 -14.805 1.00 0.00 H new ATOM 0 HA LYS A 575 63.794 -8.807 -12.689 1.00 0.00 H new ATOM 0 HB2 LYS A 575 63.493 -6.847 -15.013 1.00 0.00 H new ATOM 0 HB3 LYS A 575 64.871 -6.805 -13.931 1.00 0.00 H new ATOM 0 HG2 LYS A 575 65.243 -9.293 -14.455 1.00 0.00 H new ATOM 0 HG3 LYS A 575 64.000 -9.156 -15.683 1.00 0.00 H new ATOM 0 HD2 LYS A 575 65.300 -7.308 -16.787 1.00 0.00 H new ATOM 0 HD3 LYS A 575 66.546 -7.457 -15.564 1.00 0.00 H new ATOM 0 HE2 LYS A 575 67.311 -8.775 -17.438 1.00 0.00 H new ATOM 0 HE3 LYS A 575 66.773 -9.931 -16.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 575 65.934 -10.318 -18.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 575 64.723 -10.241 -17.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 575 64.991 -8.915 -18.394 1.00 0.00 H new ATOM 887 N ILE A 576 62.072 -5.974 -12.714 1.00 0.00 N ATOM 888 CA ILE A 576 61.711 -4.799 -11.913 1.00 0.00 C ATOM 889 C ILE A 576 61.046 -5.234 -10.597 1.00 0.00 C ATOM 890 O ILE A 576 61.446 -4.799 -9.515 1.00 0.00 O ATOM 891 CB ILE A 576 60.764 -3.881 -12.719 1.00 0.00 C ATOM 892 CG1 ILE A 576 61.408 -3.496 -14.074 1.00 0.00 C ATOM 893 CG2 ILE A 576 60.443 -2.612 -11.914 1.00 0.00 C ATOM 894 CD1 ILE A 576 62.615 -2.567 -13.886 1.00 0.00 C ATOM 0 H ILE A 576 61.651 -5.995 -13.643 1.00 0.00 H new ATOM 0 HA ILE A 576 62.618 -4.243 -11.673 1.00 0.00 H new ATOM 0 HB ILE A 576 59.838 -4.424 -12.912 1.00 0.00 H new ATOM 0 HG12 ILE A 576 61.722 -4.399 -14.597 1.00 0.00 H new ATOM 0 HG13 ILE A 576 60.666 -3.005 -14.703 1.00 0.00 H new ATOM 0 HG21 ILE A 576 59.775 -1.973 -12.492 1.00 0.00 H new ATOM 0 HG22 ILE A 576 59.960 -2.888 -10.977 1.00 0.00 H new ATOM 0 HG23 ILE A 576 61.366 -2.073 -11.701 1.00 0.00 H new ATOM 0 HD11 ILE A 576 63.039 -2.320 -14.859 1.00 0.00 H new ATOM 0 HD12 ILE A 576 62.296 -1.652 -13.386 1.00 0.00 H new ATOM 0 HD13 ILE A 576 63.369 -3.068 -13.279 1.00 0.00 H new ATOM 906 N GLN A 577 60.086 -6.156 -10.693 1.00 0.00 N ATOM 907 CA GLN A 577 59.359 -6.627 -9.510 1.00 0.00 C ATOM 908 C GLN A 577 60.302 -7.249 -8.474 1.00 0.00 C ATOM 909 O GLN A 577 60.173 -6.988 -7.278 1.00 0.00 O ATOM 910 CB GLN A 577 58.310 -7.663 -9.918 1.00 0.00 C ATOM 911 CG GLN A 577 57.156 -6.964 -10.638 1.00 0.00 C ATOM 912 CD GLN A 577 56.003 -7.940 -10.837 1.00 0.00 C ATOM 913 OE1 GLN A 577 56.183 -9.004 -11.431 1.00 0.00 O ATOM 914 NE2 GLN A 577 54.820 -7.642 -10.372 1.00 0.00 N ATOM 0 H GLN A 577 59.795 -6.589 -11.569 1.00 0.00 H new ATOM 0 HA GLN A 577 58.875 -5.761 -9.058 1.00 0.00 H new ATOM 0 HB2 GLN A 577 58.758 -8.413 -10.570 1.00 0.00 H new ATOM 0 HB3 GLN A 577 57.939 -8.187 -9.037 1.00 0.00 H new ATOM 0 HG2 GLN A 577 56.821 -6.105 -10.057 1.00 0.00 H new ATOM 0 HG3 GLN A 577 57.494 -6.585 -11.602 1.00 0.00 H new ATOM 0 HE21 GLN A 577 54.672 -6.761 -9.880 1.00 0.00 H new ATOM 0 HE22 GLN A 577 54.043 -8.291 -10.500 1.00 0.00 H new ATOM 923 N THR A 578 61.258 -8.058 -8.941 1.00 0.00 N ATOM 924 CA THR A 578 62.139 -8.800 -8.036 1.00 0.00 C ATOM 925 C THR A 578 62.861 -7.863 -7.065 1.00 0.00 C ATOM 926 O THR A 578 62.801 -8.063 -5.851 1.00 0.00 O ATOM 927 CB THR A 578 63.167 -9.612 -8.841 1.00 0.00 C ATOM 928 OG1 THR A 578 62.492 -10.363 -9.840 1.00 0.00 O ATOM 929 CG2 THR A 578 63.925 -10.571 -7.913 1.00 0.00 C ATOM 0 H THR A 578 61.440 -8.215 -9.932 1.00 0.00 H new ATOM 0 HA THR A 578 61.519 -9.480 -7.452 1.00 0.00 H new ATOM 0 HB THR A 578 63.877 -8.928 -9.306 1.00 0.00 H new ATOM 0 HG1 THR A 578 62.410 -9.825 -10.655 1.00 0.00 H new ATOM 0 HG21 THR A 578 64.650 -11.141 -8.493 1.00 0.00 H new ATOM 0 HG22 THR A 578 64.444 -9.999 -7.144 1.00 0.00 H new ATOM 0 HG23 THR A 578 63.219 -11.255 -7.442 1.00 0.00 H new ATOM 937 N LEU A 579 63.497 -6.817 -7.589 1.00 0.00 N ATOM 938 CA LEU A 579 64.301 -5.943 -6.730 1.00 0.00 C ATOM 939 C LEU A 579 63.425 -5.139 -5.769 1.00 0.00 C ATOM 940 O LEU A 579 63.835 -4.865 -4.639 1.00 0.00 O ATOM 941 CB LEU A 579 65.163 -4.981 -7.557 1.00 0.00 C ATOM 942 CG LEU A 579 66.037 -5.749 -8.564 1.00 0.00 C ATOM 943 CD1 LEU A 579 67.046 -4.781 -9.176 1.00 0.00 C ATOM 944 CD2 LEU A 579 66.802 -6.888 -7.876 1.00 0.00 C ATOM 0 H LEU A 579 63.476 -6.557 -8.575 1.00 0.00 H new ATOM 0 HA LEU A 579 64.955 -6.594 -6.149 1.00 0.00 H new ATOM 0 HB2 LEU A 579 64.522 -4.278 -8.089 1.00 0.00 H new ATOM 0 HB3 LEU A 579 65.798 -4.394 -6.893 1.00 0.00 H new ATOM 0 HG LEU A 579 65.391 -6.176 -9.331 1.00 0.00 H new ATOM 0 HD11 LEU A 579 67.672 -5.313 -9.892 1.00 0.00 H new ATOM 0 HD12 LEU A 579 66.516 -3.976 -9.685 1.00 0.00 H new ATOM 0 HD13 LEU A 579 67.672 -4.361 -8.388 1.00 0.00 H new ATOM 0 HD21 LEU A 579 67.411 -7.413 -8.611 1.00 0.00 H new ATOM 0 HD22 LEU A 579 67.446 -6.476 -7.099 1.00 0.00 H new ATOM 0 HD23 LEU A 579 66.093 -7.584 -7.428 1.00 0.00 H new ATOM 956 N ILE A 580 62.222 -4.762 -6.213 1.00 0.00 N ATOM 957 CA ILE A 580 61.314 -3.983 -5.364 1.00 0.00 C ATOM 958 C ILE A 580 60.896 -4.799 -4.137 1.00 0.00 C ATOM 959 O ILE A 580 60.935 -4.303 -3.009 1.00 0.00 O ATOM 960 CB ILE A 580 60.075 -3.559 -6.172 1.00 0.00 C ATOM 961 CG1 ILE A 580 60.521 -2.726 -7.379 1.00 0.00 C ATOM 962 CG2 ILE A 580 59.142 -2.711 -5.297 1.00 0.00 C ATOM 963 CD1 ILE A 580 59.337 -2.510 -8.326 1.00 0.00 C ATOM 0 H ILE A 580 61.858 -4.979 -7.141 1.00 0.00 H new ATOM 0 HA ILE A 580 61.835 -3.089 -5.021 1.00 0.00 H new ATOM 0 HB ILE A 580 59.545 -4.451 -6.507 1.00 0.00 H new ATOM 0 HG12 ILE A 580 60.911 -1.765 -7.045 1.00 0.00 H new ATOM 0 HG13 ILE A 580 61.330 -3.234 -7.904 1.00 0.00 H new ATOM 0 HG21 ILE A 580 58.268 -2.415 -5.877 1.00 0.00 H new ATOM 0 HG22 ILE A 580 58.824 -3.294 -4.433 1.00 0.00 H new ATOM 0 HG23 ILE A 580 59.671 -1.820 -4.958 1.00 0.00 H new ATOM 0 HD11 ILE A 580 59.659 -1.917 -9.182 1.00 0.00 H new ATOM 0 HD12 ILE A 580 58.967 -3.475 -8.671 1.00 0.00 H new ATOM 0 HD13 ILE A 580 58.541 -1.983 -7.799 1.00 0.00 H new ATOM 975 N ALA A 581 60.495 -6.050 -4.368 1.00 0.00 N ATOM 976 CA ALA A 581 60.148 -6.959 -3.275 1.00 0.00 C ATOM 977 C ALA A 581 61.351 -7.194 -2.357 1.00 0.00 C ATOM 978 O ALA A 581 61.197 -7.366 -1.147 1.00 0.00 O ATOM 979 CB ALA A 581 59.674 -8.299 -3.841 1.00 0.00 C ATOM 0 H ALA A 581 60.403 -6.456 -5.299 1.00 0.00 H new ATOM 0 HA ALA A 581 59.348 -6.501 -2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 581 59.418 -8.970 -3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 581 58.796 -8.139 -4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 581 60.470 -8.744 -4.438 1.00 0.00 H new ATOM 985 N ALA A 582 62.543 -7.199 -2.951 1.00 0.00 N ATOM 986 CA ALA A 582 63.777 -7.388 -2.191 1.00 0.00 C ATOM 987 C ALA A 582 64.144 -6.138 -1.374 1.00 0.00 C ATOM 988 O ALA A 582 65.061 -6.187 -0.552 1.00 0.00 O ATOM 989 CB ALA A 582 64.924 -7.734 -3.147 1.00 0.00 C ATOM 0 H ALA A 582 62.680 -7.075 -3.954 1.00 0.00 H new ATOM 0 HA ALA A 582 63.614 -8.207 -1.491 1.00 0.00 H new ATOM 0 HB1 ALA A 582 65.843 -7.874 -2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 582 64.686 -8.652 -3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 582 65.060 -6.922 -3.861 1.00 0.00 H new ATOM 995 N GLY A 583 63.435 -5.025 -1.596 1.00 0.00 N ATOM 996 CA GLY A 583 63.700 -3.795 -0.850 1.00 0.00 C ATOM 997 C GLY A 583 65.008 -3.134 -1.282 1.00 0.00 C ATOM 998 O GLY A 583 65.624 -2.406 -0.502 1.00 0.00 O ATOM 0 H GLY A 583 62.681 -4.953 -2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 583 62.876 -3.097 -0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 583 63.742 -4.019 0.216 1.00 0.00 H new ATOM 1002 N ILE A 584 65.427 -3.382 -2.524 1.00 0.00 N ATOM 1003 CA ILE A 584 66.657 -2.779 -3.045 1.00 0.00 C ATOM 1004 C ILE A 584 66.360 -1.437 -3.716 1.00 0.00 C ATOM 1005 O ILE A 584 67.205 -0.541 -3.725 1.00 0.00 O ATOM 1006 CB ILE A 584 67.334 -3.712 -4.060 1.00 0.00 C ATOM 1007 CG1 ILE A 584 67.396 -5.139 -3.494 1.00 0.00 C ATOM 1008 CG2 ILE A 584 68.758 -3.210 -4.329 1.00 0.00 C ATOM 1009 CD1 ILE A 584 67.941 -6.114 -4.546 1.00 0.00 C ATOM 0 H ILE A 584 64.940 -3.989 -3.183 1.00 0.00 H new ATOM 0 HA ILE A 584 67.329 -2.619 -2.202 1.00 0.00 H new ATOM 0 HB ILE A 584 66.761 -3.718 -4.987 1.00 0.00 H new ATOM 0 HG12 ILE A 584 68.032 -5.158 -2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 584 66.401 -5.454 -3.179 1.00 0.00 H new ATOM 0 HG21 ILE A 584 69.246 -3.867 -5.049 1.00 0.00 H new ATOM 0 HG22 ILE A 584 68.717 -2.198 -4.731 1.00 0.00 H new ATOM 0 HG23 ILE A 584 69.325 -3.208 -3.398 1.00 0.00 H new ATOM 0 HD11 ILE A 584 67.977 -7.119 -4.126 1.00 0.00 H new ATOM 0 HD12 ILE A 584 67.289 -6.109 -5.419 1.00 0.00 H new ATOM 0 HD13 ILE A 584 68.945 -5.807 -4.841 1.00 0.00 H new ATOM 1021 N ILE A 585 65.155 -1.306 -4.276 1.00 0.00 N ATOM 1022 CA ILE A 585 64.784 -0.102 -5.017 1.00 0.00 C ATOM 1023 C ILE A 585 63.472 0.459 -4.469 1.00 0.00 C ATOM 1024 O ILE A 585 62.564 -0.298 -4.120 1.00 0.00 O ATOM 1025 CB ILE A 585 64.632 -0.437 -6.510 1.00 0.00 C ATOM 1026 CG1 ILE A 585 65.928 -1.078 -7.025 1.00 0.00 C ATOM 1027 CG2 ILE A 585 64.354 0.844 -7.305 1.00 0.00 C ATOM 1028 CD1 ILE A 585 65.704 -1.639 -8.432 1.00 0.00 C ATOM 0 H ILE A 585 64.424 -2.016 -4.230 1.00 0.00 H new ATOM 0 HA ILE A 585 65.566 0.648 -4.900 1.00 0.00 H new ATOM 0 HB ILE A 585 63.801 -1.131 -6.637 1.00 0.00 H new ATOM 0 HG12 ILE A 585 66.729 -0.339 -7.041 1.00 0.00 H new ATOM 0 HG13 ILE A 585 66.243 -1.875 -6.351 1.00 0.00 H new ATOM 0 HG21 ILE A 585 64.247 0.600 -8.362 1.00 0.00 H new ATOM 0 HG22 ILE A 585 63.434 1.304 -6.944 1.00 0.00 H new ATOM 0 HG23 ILE A 585 65.183 1.540 -7.175 1.00 0.00 H new ATOM 0 HD11 ILE A 585 66.627 -2.093 -8.794 1.00 0.00 H new ATOM 0 HD12 ILE A 585 64.916 -2.392 -8.402 1.00 0.00 H new ATOM 0 HD13 ILE A 585 65.410 -0.832 -9.103 1.00 0.00 H new ATOM 1040 N ARG A 586 63.381 1.787 -4.397 1.00 0.00 N ATOM 1041 CA ARG A 586 62.190 2.438 -3.857 1.00 0.00 C ATOM 1042 C ARG A 586 61.237 2.836 -4.980 1.00 0.00 C ATOM 1043 O ARG A 586 61.595 3.622 -5.859 1.00 0.00 O ATOM 1044 CB ARG A 586 62.591 3.682 -3.062 1.00 0.00 C ATOM 1045 CG ARG A 586 63.471 3.272 -1.880 1.00 0.00 C ATOM 1046 CD ARG A 586 63.801 4.505 -1.038 1.00 0.00 C ATOM 1047 NE ARG A 586 64.855 4.192 -0.072 1.00 0.00 N ATOM 1048 CZ ARG A 586 66.142 4.067 -0.430 1.00 0.00 C ATOM 1049 NH1 ARG A 586 66.522 4.217 -1.677 1.00 0.00 N ATOM 1050 NH2 ARG A 586 67.034 3.788 0.481 1.00 0.00 N ATOM 0 H ARG A 586 64.113 2.428 -4.704 1.00 0.00 H new ATOM 0 HA ARG A 586 61.682 1.733 -3.199 1.00 0.00 H new ATOM 0 HB2 ARG A 586 63.129 4.379 -3.705 1.00 0.00 H new ATOM 0 HB3 ARG A 586 61.701 4.200 -2.704 1.00 0.00 H new ATOM 0 HG2 ARG A 586 62.957 2.529 -1.270 1.00 0.00 H new ATOM 0 HG3 ARG A 586 64.389 2.808 -2.240 1.00 0.00 H new ATOM 0 HD2 ARG A 586 64.122 5.321 -1.686 1.00 0.00 H new ATOM 0 HD3 ARG A 586 62.908 4.846 -0.515 1.00 0.00 H new ATOM 0 HE ARG A 586 64.602 4.064 0.908 1.00 0.00 H new ATOM 0 HH11 ARG A 586 65.833 4.433 -2.398 1.00 0.00 H new ATOM 0 HH12 ARG A 586 67.506 4.117 -1.926 1.00 0.00 H new ATOM 0 HH21 ARG A 586 66.750 3.667 1.453 1.00 0.00 H new ATOM 0 HH22 ARG A 586 68.015 3.691 0.221 1.00 0.00 H new ATOM 1064 N THR A 587 60.023 2.286 -4.944 1.00 0.00 N ATOM 1065 CA THR A 587 59.009 2.601 -5.951 1.00 0.00 C ATOM 1066 C THR A 587 57.852 3.388 -5.335 1.00 0.00 C ATOM 1067 O THR A 587 57.263 4.249 -5.990 1.00 0.00 O ATOM 1068 CB THR A 587 58.474 1.309 -6.571 1.00 0.00 C ATOM 1069 OG1 THR A 587 58.168 0.382 -5.539 1.00 0.00 O ATOM 1070 CG2 THR A 587 59.530 0.712 -7.502 1.00 0.00 C ATOM 0 H THR A 587 59.718 1.623 -4.231 1.00 0.00 H new ATOM 0 HA THR A 587 59.474 3.214 -6.723 1.00 0.00 H new ATOM 0 HB THR A 587 57.572 1.526 -7.143 1.00 0.00 H new ATOM 0 HG1 THR A 587 57.637 -0.355 -5.908 1.00 0.00 H new ATOM 0 HG21 THR A 587 59.148 -0.208 -7.943 1.00 0.00 H new ATOM 0 HG22 THR A 587 59.762 1.425 -8.294 1.00 0.00 H new ATOM 0 HG23 THR A 587 60.434 0.494 -6.934 1.00 0.00 H new ATOM 1078 N GLY A 588 57.536 3.089 -4.074 1.00 0.00 N ATOM 1079 CA GLY A 588 56.436 3.762 -3.389 1.00 0.00 C ATOM 1080 C GLY A 588 55.089 3.243 -3.883 1.00 0.00 C ATOM 1081 O GLY A 588 54.267 4.012 -4.386 1.00 0.00 O ATOM 0 H GLY A 588 58.023 2.391 -3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 588 56.520 3.603 -2.314 1.00 0.00 H new ATOM 0 HA3 GLY A 588 56.500 4.837 -3.558 1.00 0.00 H new ATOM 1085 N ARG A 589 54.870 1.938 -3.733 1.00 0.00 N ATOM 1086 CA ARG A 589 53.625 1.320 -4.183 1.00 0.00 C ATOM 1087 C ARG A 589 52.567 1.391 -3.087 1.00 0.00 C ATOM 1088 O ARG A 589 52.754 0.748 -2.068 1.00 0.00 O ATOM 1089 CB ARG A 589 53.874 -0.141 -4.562 1.00 0.00 C ATOM 1090 CG ARG A 589 54.894 -0.212 -5.700 1.00 0.00 C ATOM 1091 CD ARG A 589 54.222 0.180 -7.018 1.00 0.00 C ATOM 1092 NE ARG A 589 53.228 -0.825 -7.400 1.00 0.00 N ATOM 1093 CZ ARG A 589 52.708 -0.886 -8.635 1.00 0.00 C ATOM 1094 NH1 ARG A 589 53.069 -0.040 -9.571 1.00 0.00 N ATOM 1095 NH2 ARG A 589 51.825 -1.807 -8.913 1.00 0.00 N ATOM 1096 OXT ARG A 589 51.584 2.086 -3.285 1.00 0.00 O ATOM 0 H ARG A 589 55.534 1.292 -3.306 1.00 0.00 H new ATOM 0 HA ARG A 589 53.265 1.864 -5.056 1.00 0.00 H new ATOM 0 HB2 ARG A 589 54.241 -0.694 -3.697 1.00 0.00 H new ATOM 0 HB3 ARG A 589 52.940 -0.612 -4.868 1.00 0.00 H new ATOM 0 HG2 ARG A 589 55.731 0.456 -5.494 1.00 0.00 H new ATOM 0 HG3 ARG A 589 55.302 -1.220 -5.774 1.00 0.00 H new ATOM 0 HD2 ARG A 589 53.743 1.154 -6.915 1.00 0.00 H new ATOM 0 HD3 ARG A 589 54.973 0.276 -7.803 1.00 0.00 H new ATOM 0 HE ARG A 589 52.920 -1.503 -6.702 1.00 0.00 H new ATOM 0 HH11 ARG A 589 53.759 0.683 -9.366 1.00 0.00 H new ATOM 0 HH12 ARG A 589 52.660 -0.106 -10.503 1.00 0.00 H new ATOM 0 HH21 ARG A 589 51.537 -2.471 -8.194 1.00 0.00 H new ATOM 0 HH22 ARG A 589 51.423 -1.862 -9.849 1.00 0.00 H new TER 1110 ARG A 589