USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=14 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 Set 1.1: A 532 GLN : amide:sc= -0.326 X(o=-0.33,f=-0.0028) USER MOD Set 1.2: A 536 LYS NZ :NH3+ -127:sc=-0.00395 (180deg=-0.181) USER MOD Single : A 519 GLN : amide:sc= -0.0173 X(o=-0.017,f=-0.26) USER MOD Single : A 522 THR OG1 : rot 180:sc= 0 USER MOD Single : A 523 SER OG : rot -15:sc= 0.452 USER MOD Single : A 524 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.064) USER MOD Single : A 526 THR OG1 : rot 45:sc= -0.222 USER MOD Single : A 530 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 531 TYR OH : rot -115:sc= 0.219 USER MOD Single : A 535 MET CE :methyl -172:sc= -2.7 (180deg=-2.79) USER MOD Single : A 544 MET CE :methyl 172:sc= -6.81! (180deg=-7.81!) USER MOD Single : A 545 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 549 MET CE :methyl 140:sc= -4.6 (180deg=-8.58!) USER MOD Single : A 550 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 551 SER OG : rot -38:sc= 1.07 USER MOD Single : A 554 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 555 GLN : amide:sc= -0.0148 X(o=-0.015,f=0) USER MOD Single : A 557 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 558 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 559 ASN : amide:sc= -0.0707 X(o=-0.071,f=0) USER MOD Single : A 564 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 566 HIS : no HD1:sc= -7.83! C(o=-7.8!,f=-10!) USER MOD Single : A 567 MET CE :methyl -153:sc= -0.19 (180deg=-1.32) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.6) USER MOD Single : A 574 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 575 LYS NZ :NH3+ -133:sc= 0.84 (180deg=-2.53!) USER MOD Single : A 577 GLN : amide:sc= -5.44 X(o=-5.4,f=-5.7!) USER MOD Single : A 578 THR OG1 : rot 80:sc= 1.12 USER MOD Single : A 587 THR OG1 : rot -160:sc= 0.026 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 519 64.663 16.579 11.911 1.00 0.00 N ATOM 2 CA GLN A 519 64.388 15.179 11.598 1.00 0.00 C ATOM 3 C GLN A 519 64.664 14.285 12.814 1.00 0.00 C ATOM 4 O GLN A 519 65.825 14.061 13.162 1.00 0.00 O ATOM 5 CB GLN A 519 65.270 14.729 10.431 1.00 0.00 C ATOM 6 CG GLN A 519 64.653 13.496 9.769 1.00 0.00 C ATOM 7 CD GLN A 519 65.177 13.352 8.345 1.00 0.00 C ATOM 8 OE1 GLN A 519 65.125 14.302 7.564 1.00 0.00 O ATOM 9 NE2 GLN A 519 65.682 12.213 7.957 1.00 0.00 N ATOM 0 HA GLN A 519 63.336 15.088 11.326 1.00 0.00 H new ATOM 0 HB2 GLN A 519 65.367 15.535 9.703 1.00 0.00 H new ATOM 0 HB3 GLN A 519 66.274 14.499 10.788 1.00 0.00 H new ATOM 0 HG2 GLN A 519 64.895 12.604 10.346 1.00 0.00 H new ATOM 0 HG3 GLN A 519 63.567 13.584 9.758 1.00 0.00 H new ATOM 0 HE21 GLN A 519 65.724 11.427 8.605 1.00 0.00 H new ATOM 0 HE22 GLN A 519 66.034 12.109 7.005 1.00 0.00 H new ATOM 18 N PRO A 520 63.636 13.752 13.453 1.00 0.00 N ATOM 19 CA PRO A 520 63.826 12.895 14.664 1.00 0.00 C ATOM 20 C PRO A 520 64.368 11.512 14.310 1.00 0.00 C ATOM 21 O PRO A 520 63.758 10.780 13.527 1.00 0.00 O ATOM 22 CB PRO A 520 62.424 12.796 15.266 1.00 0.00 C ATOM 23 CG PRO A 520 61.495 12.954 14.113 1.00 0.00 C ATOM 24 CD PRO A 520 62.201 13.860 13.104 1.00 0.00 C ATOM 0 HA PRO A 520 64.558 13.317 15.352 1.00 0.00 H new ATOM 0 HB2 PRO A 520 62.275 11.838 15.764 1.00 0.00 H new ATOM 0 HB3 PRO A 520 62.260 13.572 16.014 1.00 0.00 H new ATOM 0 HG2 PRO A 520 61.262 11.987 13.668 1.00 0.00 H new ATOM 0 HG3 PRO A 520 60.551 13.393 14.434 1.00 0.00 H new ATOM 0 HD2 PRO A 520 62.016 13.535 12.080 1.00 0.00 H new ATOM 0 HD3 PRO A 520 61.850 14.889 13.180 1.00 0.00 H new ATOM 32 N GLY A 521 65.516 11.162 14.890 1.00 0.00 N ATOM 33 CA GLY A 521 66.126 9.857 14.646 1.00 0.00 C ATOM 34 C GLY A 521 66.585 9.727 13.196 1.00 0.00 C ATOM 35 O GLY A 521 65.913 10.206 12.280 1.00 0.00 O ATOM 0 H GLY A 521 66.039 11.761 15.529 1.00 0.00 H new ATOM 0 HA2 GLY A 521 66.977 9.719 15.314 1.00 0.00 H new ATOM 0 HA3 GLY A 521 65.409 9.069 14.876 1.00 0.00 H new ATOM 39 N THR A 522 67.731 9.078 12.996 1.00 0.00 N ATOM 40 CA THR A 522 68.265 8.876 11.651 1.00 0.00 C ATOM 41 C THR A 522 68.984 7.533 11.557 1.00 0.00 C ATOM 42 O THR A 522 69.481 7.015 12.558 1.00 0.00 O ATOM 43 CB THR A 522 69.237 10.003 11.297 1.00 0.00 C ATOM 44 OG1 THR A 522 70.308 10.014 12.232 1.00 0.00 O ATOM 45 CG2 THR A 522 68.505 11.346 11.340 1.00 0.00 C ATOM 0 H THR A 522 68.304 8.686 13.743 1.00 0.00 H new ATOM 0 HA THR A 522 67.433 8.882 10.947 1.00 0.00 H new ATOM 0 HB THR A 522 69.631 9.840 10.294 1.00 0.00 H new ATOM 0 HG1 THR A 522 70.933 10.734 12.006 1.00 0.00 H new ATOM 0 HG21 THR A 522 69.200 12.147 11.087 1.00 0.00 H new ATOM 0 HG22 THR A 522 67.685 11.337 10.622 1.00 0.00 H new ATOM 0 HG23 THR A 522 68.108 11.512 12.341 1.00 0.00 H new ATOM 53 N SER A 523 69.013 6.963 10.349 1.00 0.00 N ATOM 54 CA SER A 523 69.704 5.691 10.106 1.00 0.00 C ATOM 55 C SER A 523 69.265 4.611 11.103 1.00 0.00 C ATOM 56 O SER A 523 70.043 3.718 11.448 1.00 0.00 O ATOM 57 CB SER A 523 71.220 5.898 10.195 1.00 0.00 C ATOM 58 OG SER A 523 71.599 6.074 11.553 1.00 0.00 O ATOM 0 H SER A 523 68.566 7.361 9.523 1.00 0.00 H new ATOM 0 HA SER A 523 69.438 5.350 9.105 1.00 0.00 H new ATOM 0 HB2 SER A 523 71.740 5.039 9.770 1.00 0.00 H new ATOM 0 HB3 SER A 523 71.513 6.769 9.609 1.00 0.00 H new ATOM 0 HG SER A 523 70.803 6.258 12.094 1.00 0.00 H new ATOM 64 N ASN A 524 68.010 4.692 11.549 1.00 0.00 N ATOM 65 CA ASN A 524 67.484 3.733 12.521 1.00 0.00 C ATOM 66 C ASN A 524 67.429 2.328 11.924 1.00 0.00 C ATOM 67 O ASN A 524 67.776 1.350 12.588 1.00 0.00 O ATOM 68 CB ASN A 524 66.081 4.154 12.968 1.00 0.00 C ATOM 69 CG ASN A 524 66.136 5.524 13.635 1.00 0.00 C ATOM 70 OD1 ASN A 524 65.368 6.420 13.280 1.00 0.00 O ATOM 71 ND2 ASN A 524 67.001 5.742 14.587 1.00 0.00 N ATOM 0 H ASN A 524 67.344 5.406 11.255 1.00 0.00 H new ATOM 0 HA ASN A 524 68.152 3.721 13.382 1.00 0.00 H new ATOM 0 HB2 ASN A 524 65.411 4.185 12.109 1.00 0.00 H new ATOM 0 HB3 ASN A 524 65.675 3.418 13.662 1.00 0.00 H new ATOM 0 HD21 ASN A 524 67.043 6.655 15.039 1.00 0.00 H new ATOM 0 HD22 ASN A 524 67.636 4.999 14.879 1.00 0.00 H new ATOM 78 N GLU A 525 66.990 2.239 10.669 1.00 0.00 N ATOM 79 CA GLU A 525 66.913 0.952 9.981 1.00 0.00 C ATOM 80 C GLU A 525 68.165 0.717 9.140 1.00 0.00 C ATOM 81 O GLU A 525 68.635 1.621 8.452 1.00 0.00 O ATOM 82 CB GLU A 525 65.677 0.914 9.080 1.00 0.00 C ATOM 83 CG GLU A 525 64.417 1.075 9.933 1.00 0.00 C ATOM 84 CD GLU A 525 63.175 0.959 9.055 1.00 0.00 C ATOM 85 OE1 GLU A 525 62.688 -0.148 8.895 1.00 0.00 O ATOM 86 OE2 GLU A 525 62.729 1.979 8.557 1.00 0.00 O ATOM 0 H GLU A 525 66.684 3.037 10.112 1.00 0.00 H new ATOM 0 HA GLU A 525 66.840 0.165 10.731 1.00 0.00 H new ATOM 0 HB2 GLU A 525 65.731 1.711 8.338 1.00 0.00 H new ATOM 0 HB3 GLU A 525 65.641 -0.029 8.534 1.00 0.00 H new ATOM 0 HG2 GLU A 525 64.395 0.312 10.711 1.00 0.00 H new ATOM 0 HG3 GLU A 525 64.429 2.042 10.435 1.00 0.00 H new ATOM 93 N THR A 526 68.698 -0.503 9.212 1.00 0.00 N ATOM 94 CA THR A 526 69.892 -0.865 8.449 1.00 0.00 C ATOM 95 C THR A 526 69.543 -1.136 6.980 1.00 0.00 C ATOM 96 O THR A 526 68.773 -2.054 6.690 1.00 0.00 O ATOM 97 CB THR A 526 70.535 -2.115 9.056 1.00 0.00 C ATOM 98 OG1 THR A 526 69.525 -3.068 9.353 1.00 0.00 O ATOM 99 CG2 THR A 526 71.278 -1.737 10.339 1.00 0.00 C ATOM 0 H THR A 526 68.323 -1.255 9.789 1.00 0.00 H new ATOM 0 HA THR A 526 70.591 -0.030 8.493 1.00 0.00 H new ATOM 0 HB THR A 526 71.241 -2.544 8.344 1.00 0.00 H new ATOM 0 HG1 THR A 526 68.905 -3.134 8.597 1.00 0.00 H new ATOM 0 HG21 THR A 526 71.735 -2.627 10.770 1.00 0.00 H new ATOM 0 HG22 THR A 526 72.053 -1.006 10.109 1.00 0.00 H new ATOM 0 HG23 THR A 526 70.575 -1.308 11.053 1.00 0.00 H new ATOM 107 N PRO A 527 70.077 -0.362 6.052 1.00 0.00 N ATOM 108 CA PRO A 527 70.002 -0.711 4.597 1.00 0.00 C ATOM 109 C PRO A 527 70.801 -1.974 4.277 1.00 0.00 C ATOM 110 O PRO A 527 70.438 -2.745 3.386 1.00 0.00 O ATOM 111 CB PRO A 527 70.600 0.510 3.877 1.00 0.00 C ATOM 112 CG PRO A 527 70.618 1.603 4.890 1.00 0.00 C ATOM 113 CD PRO A 527 70.785 0.917 6.239 1.00 0.00 C ATOM 0 HA PRO A 527 68.980 -0.924 4.285 1.00 0.00 H new ATOM 0 HB2 PRO A 527 71.605 0.297 3.512 1.00 0.00 H new ATOM 0 HB3 PRO A 527 69.999 0.788 3.011 1.00 0.00 H new ATOM 0 HG2 PRO A 527 71.436 2.298 4.701 1.00 0.00 H new ATOM 0 HG3 PRO A 527 69.695 2.181 4.857 1.00 0.00 H new ATOM 0 HD2 PRO A 527 71.835 0.764 6.486 1.00 0.00 H new ATOM 0 HD3 PRO A 527 70.349 1.505 7.047 1.00 0.00 H new ATOM 121 N GLU A 528 71.878 -2.193 5.035 1.00 0.00 N ATOM 122 CA GLU A 528 72.759 -3.338 4.803 1.00 0.00 C ATOM 123 C GLU A 528 72.003 -4.656 4.958 1.00 0.00 C ATOM 124 O GLU A 528 72.287 -5.626 4.252 1.00 0.00 O ATOM 125 CB GLU A 528 73.931 -3.305 5.789 1.00 0.00 C ATOM 126 CG GLU A 528 74.810 -2.083 5.506 1.00 0.00 C ATOM 127 CD GLU A 528 75.534 -2.248 4.171 1.00 0.00 C ATOM 128 OE1 GLU A 528 75.981 -3.348 3.892 1.00 0.00 O ATOM 129 OE2 GLU A 528 75.631 -1.270 3.448 1.00 0.00 O ATOM 0 H GLU A 528 72.160 -1.595 5.812 1.00 0.00 H new ATOM 0 HA GLU A 528 73.134 -3.271 3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 528 73.557 -3.267 6.812 1.00 0.00 H new ATOM 0 HB3 GLU A 528 74.520 -4.218 5.699 1.00 0.00 H new ATOM 0 HG2 GLU A 528 74.197 -1.182 5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 528 75.537 -1.956 6.308 1.00 0.00 H new ATOM 136 N GLU A 529 71.007 -4.675 5.847 1.00 0.00 N ATOM 137 CA GLU A 529 70.267 -5.901 6.127 1.00 0.00 C ATOM 138 C GLU A 529 69.456 -6.325 4.904 1.00 0.00 C ATOM 139 O GLU A 529 69.507 -7.481 4.482 1.00 0.00 O ATOM 140 CB GLU A 529 69.323 -5.673 7.308 1.00 0.00 C ATOM 141 CG GLU A 529 68.972 -7.016 7.952 1.00 0.00 C ATOM 142 CD GLU A 529 67.916 -6.817 9.035 1.00 0.00 C ATOM 143 OE1 GLU A 529 66.982 -6.071 8.795 1.00 0.00 O ATOM 144 OE2 GLU A 529 68.060 -7.414 10.089 1.00 0.00 O ATOM 0 H GLU A 529 70.699 -3.862 6.379 1.00 0.00 H new ATOM 0 HA GLU A 529 70.978 -6.690 6.371 1.00 0.00 H new ATOM 0 HB2 GLU A 529 69.794 -5.019 8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 529 68.416 -5.172 6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 529 68.601 -7.706 7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 529 69.866 -7.466 8.383 1.00 0.00 H new ATOM 151 N THR A 530 68.734 -5.369 4.317 1.00 0.00 N ATOM 152 CA THR A 530 67.889 -5.656 3.159 1.00 0.00 C ATOM 153 C THR A 530 68.723 -6.176 1.989 1.00 0.00 C ATOM 154 O THR A 530 68.369 -7.175 1.363 1.00 0.00 O ATOM 155 CB THR A 530 67.144 -4.389 2.729 1.00 0.00 C ATOM 156 OG1 THR A 530 66.607 -3.747 3.877 1.00 0.00 O ATOM 157 CG2 THR A 530 66.007 -4.761 1.774 1.00 0.00 C ATOM 0 H THR A 530 68.718 -4.396 4.623 1.00 0.00 H new ATOM 0 HA THR A 530 67.172 -6.425 3.445 1.00 0.00 H new ATOM 0 HB THR A 530 67.835 -3.715 2.222 1.00 0.00 H new ATOM 0 HG1 THR A 530 66.131 -2.935 3.605 1.00 0.00 H new ATOM 0 HG21 THR A 530 65.478 -3.858 1.469 1.00 0.00 H new ATOM 0 HG22 THR A 530 66.418 -5.255 0.894 1.00 0.00 H new ATOM 0 HG23 THR A 530 65.314 -5.435 2.278 1.00 0.00 H new ATOM 165 N TYR A 531 69.847 -5.510 1.720 1.00 0.00 N ATOM 166 CA TYR A 531 70.709 -5.890 0.600 1.00 0.00 C ATOM 167 C TYR A 531 71.188 -7.341 0.714 1.00 0.00 C ATOM 168 O TYR A 531 70.977 -8.133 -0.203 1.00 0.00 O ATOM 169 CB TYR A 531 71.916 -4.949 0.532 1.00 0.00 C ATOM 170 CG TYR A 531 72.776 -5.147 -0.695 1.00 0.00 C ATOM 171 CD1 TYR A 531 72.324 -4.693 -1.958 1.00 0.00 C ATOM 172 CD2 TYR A 531 74.035 -5.784 -0.581 1.00 0.00 C ATOM 173 CE1 TYR A 531 73.131 -4.875 -3.107 1.00 0.00 C ATOM 174 CE2 TYR A 531 74.843 -5.965 -1.730 1.00 0.00 C ATOM 175 CZ TYR A 531 74.392 -5.512 -2.992 1.00 0.00 C ATOM 176 OH TYR A 531 75.179 -5.689 -4.112 1.00 0.00 O ATOM 0 H TYR A 531 70.180 -4.710 2.258 1.00 0.00 H new ATOM 0 HA TYR A 531 70.121 -5.806 -0.314 1.00 0.00 H new ATOM 0 HB2 TYR A 531 71.563 -3.918 0.554 1.00 0.00 H new ATOM 0 HB3 TYR A 531 72.529 -5.095 1.421 1.00 0.00 H new ATOM 0 HD1 TYR A 531 71.363 -4.208 -2.045 1.00 0.00 H new ATOM 0 HD2 TYR A 531 74.379 -6.132 0.382 1.00 0.00 H new ATOM 0 HE1 TYR A 531 72.786 -4.529 -4.070 1.00 0.00 H new ATOM 0 HE2 TYR A 531 75.804 -6.449 -1.643 1.00 0.00 H new ATOM 0 HH TYR A 531 75.283 -6.647 -4.291 1.00 0.00 H new ATOM 186 N GLN A 532 71.814 -7.698 1.842 1.00 0.00 N ATOM 187 CA GLN A 532 72.408 -9.034 1.977 1.00 0.00 C ATOM 188 C GLN A 532 71.347 -10.133 1.833 1.00 0.00 C ATOM 189 O GLN A 532 71.571 -11.140 1.155 1.00 0.00 O ATOM 190 CB GLN A 532 73.159 -9.164 3.318 1.00 0.00 C ATOM 191 CG GLN A 532 72.184 -9.232 4.503 1.00 0.00 C ATOM 192 CD GLN A 532 72.962 -9.385 5.806 1.00 0.00 C ATOM 193 OE1 GLN A 532 73.397 -8.393 6.389 1.00 0.00 O ATOM 194 NE2 GLN A 532 73.163 -10.576 6.298 1.00 0.00 N ATOM 0 H GLN A 532 71.922 -7.096 2.658 1.00 0.00 H new ATOM 0 HA GLN A 532 73.128 -9.163 1.169 1.00 0.00 H new ATOM 0 HB2 GLN A 532 73.779 -10.060 3.304 1.00 0.00 H new ATOM 0 HB3 GLN A 532 73.829 -8.314 3.445 1.00 0.00 H new ATOM 0 HG2 GLN A 532 71.575 -8.329 4.537 1.00 0.00 H new ATOM 0 HG3 GLN A 532 71.501 -10.072 4.376 1.00 0.00 H new ATOM 0 HE21 GLN A 532 72.801 -11.396 5.812 1.00 0.00 H new ATOM 0 HE22 GLN A 532 73.682 -10.687 7.169 1.00 0.00 H new ATOM 203 N ARG A 533 70.164 -9.900 2.410 1.00 0.00 N ATOM 204 CA ARG A 533 69.068 -10.865 2.300 1.00 0.00 C ATOM 205 C ARG A 533 68.717 -11.098 0.832 1.00 0.00 C ATOM 206 O ARG A 533 68.735 -12.233 0.354 1.00 0.00 O ATOM 207 CB ARG A 533 67.834 -10.352 3.047 1.00 0.00 C ATOM 208 CG ARG A 533 68.110 -10.348 4.553 1.00 0.00 C ATOM 209 CD ARG A 533 68.132 -11.787 5.072 1.00 0.00 C ATOM 210 NE ARG A 533 68.070 -11.799 6.535 1.00 0.00 N ATOM 211 CZ ARG A 533 69.118 -11.460 7.300 1.00 0.00 C ATOM 212 NH1 ARG A 533 70.262 -11.097 6.771 1.00 0.00 N ATOM 213 NH2 ARG A 533 68.996 -11.492 8.600 1.00 0.00 N ATOM 0 H ARG A 533 69.943 -9.064 2.950 1.00 0.00 H new ATOM 0 HA ARG A 533 69.390 -11.806 2.745 1.00 0.00 H new ATOM 0 HB2 ARG A 533 67.585 -9.346 2.710 1.00 0.00 H new ATOM 0 HB3 ARG A 533 66.974 -10.984 2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 533 69.064 -9.862 4.757 1.00 0.00 H new ATOM 0 HG3 ARG A 533 67.342 -9.775 5.073 1.00 0.00 H new ATOM 0 HD2 ARG A 533 67.289 -12.342 4.661 1.00 0.00 H new ATOM 0 HD3 ARG A 533 69.039 -12.289 4.735 1.00 0.00 H new ATOM 0 HE ARG A 533 67.199 -12.075 6.988 1.00 0.00 H new ATOM 0 HH11 ARG A 533 70.369 -11.068 5.757 1.00 0.00 H new ATOM 0 HH12 ARG A 533 71.045 -10.844 7.374 1.00 0.00 H new ATOM 0 HH21 ARG A 533 68.111 -11.773 9.022 1.00 0.00 H new ATOM 0 HH22 ARG A 533 69.786 -11.236 9.193 1.00 0.00 H new ATOM 227 N ALA A 534 68.543 -10.002 0.094 1.00 0.00 N ATOM 228 CA ALA A 534 68.227 -10.080 -1.335 1.00 0.00 C ATOM 229 C ALA A 534 69.352 -10.776 -2.109 1.00 0.00 C ATOM 230 O ALA A 534 69.099 -11.487 -3.083 1.00 0.00 O ATOM 231 CB ALA A 534 68.026 -8.670 -1.896 1.00 0.00 C ATOM 0 H ALA A 534 68.615 -9.052 0.459 1.00 0.00 H new ATOM 0 HA ALA A 534 67.312 -10.661 -1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 534 67.791 -8.731 -2.959 1.00 0.00 H new ATOM 0 HB2 ALA A 534 67.205 -8.183 -1.370 1.00 0.00 H new ATOM 0 HB3 ALA A 534 68.939 -8.090 -1.759 1.00 0.00 H new ATOM 237 N MET A 535 70.590 -10.570 -1.656 1.00 0.00 N ATOM 238 CA MET A 535 71.760 -11.126 -2.336 1.00 0.00 C ATOM 239 C MET A 535 71.739 -12.656 -2.312 1.00 0.00 C ATOM 240 O MET A 535 72.247 -13.300 -3.232 1.00 0.00 O ATOM 241 CB MET A 535 73.044 -10.616 -1.671 1.00 0.00 C ATOM 242 CG MET A 535 74.177 -10.533 -2.710 1.00 0.00 C ATOM 243 SD MET A 535 74.417 -8.815 -3.242 1.00 0.00 S ATOM 244 CE MET A 535 72.752 -8.529 -3.893 1.00 0.00 C ATOM 0 H MET A 535 70.808 -10.023 -0.823 1.00 0.00 H new ATOM 0 HA MET A 535 71.733 -10.799 -3.376 1.00 0.00 H new ATOM 0 HB2 MET A 535 72.870 -9.634 -1.231 1.00 0.00 H new ATOM 0 HB3 MET A 535 73.332 -11.283 -0.859 1.00 0.00 H new ATOM 0 HG2 MET A 535 75.101 -10.921 -2.282 1.00 0.00 H new ATOM 0 HG3 MET A 535 73.937 -11.157 -3.571 1.00 0.00 H new ATOM 0 HE1 MET A 535 72.722 -7.567 -4.404 1.00 0.00 H new ATOM 0 HE2 MET A 535 72.495 -9.322 -4.596 1.00 0.00 H new ATOM 0 HE3 MET A 535 72.036 -8.526 -3.071 1.00 0.00 H new ATOM 254 N LYS A 536 71.154 -13.230 -1.260 1.00 0.00 N ATOM 255 CA LYS A 536 71.017 -14.683 -1.173 1.00 0.00 C ATOM 256 C LYS A 536 69.963 -15.193 -2.159 1.00 0.00 C ATOM 257 O LYS A 536 69.965 -16.371 -2.520 1.00 0.00 O ATOM 258 CB LYS A 536 70.638 -15.095 0.250 1.00 0.00 C ATOM 259 CG LYS A 536 71.774 -14.731 1.207 1.00 0.00 C ATOM 260 CD LYS A 536 71.444 -15.245 2.611 1.00 0.00 C ATOM 261 CE LYS A 536 72.521 -14.777 3.592 1.00 0.00 C ATOM 262 NZ LYS A 536 72.344 -13.323 3.867 1.00 0.00 N ATOM 0 H LYS A 536 70.772 -12.718 -0.465 1.00 0.00 H new ATOM 0 HA LYS A 536 71.977 -15.129 -1.432 1.00 0.00 H new ATOM 0 HB2 LYS A 536 69.719 -14.593 0.552 1.00 0.00 H new ATOM 0 HB3 LYS A 536 70.444 -16.167 0.290 1.00 0.00 H new ATOM 0 HG2 LYS A 536 72.710 -15.167 0.859 1.00 0.00 H new ATOM 0 HG3 LYS A 536 71.914 -13.650 1.228 1.00 0.00 H new ATOM 0 HD2 LYS A 536 70.467 -14.877 2.924 1.00 0.00 H new ATOM 0 HD3 LYS A 536 71.388 -16.334 2.608 1.00 0.00 H new ATOM 0 HE2 LYS A 536 72.454 -15.344 4.520 1.00 0.00 H new ATOM 0 HE3 LYS A 536 73.512 -14.962 3.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 536 73.240 -12.825 3.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 536 71.608 -12.938 3.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 536 72.060 -13.189 4.859 1.00 0.00 H new ATOM 276 N ASP A 537 69.065 -14.304 -2.588 1.00 0.00 N ATOM 277 CA ASP A 537 68.078 -14.652 -3.605 1.00 0.00 C ATOM 278 C ASP A 537 68.712 -14.576 -5.001 1.00 0.00 C ATOM 279 O ASP A 537 68.967 -13.482 -5.504 1.00 0.00 O ATOM 280 CB ASP A 537 66.891 -13.685 -3.527 1.00 0.00 C ATOM 281 CG ASP A 537 65.729 -14.172 -4.400 1.00 0.00 C ATOM 282 OD1 ASP A 537 65.788 -15.296 -4.878 1.00 0.00 O ATOM 283 OD2 ASP A 537 64.795 -13.409 -4.579 1.00 0.00 O ATOM 0 H ASP A 537 69.003 -13.344 -2.248 1.00 0.00 H new ATOM 0 HA ASP A 537 67.729 -15.669 -3.426 1.00 0.00 H new ATOM 0 HB2 ASP A 537 66.560 -13.592 -2.493 1.00 0.00 H new ATOM 0 HB3 ASP A 537 67.204 -12.693 -3.852 1.00 0.00 H new ATOM 288 N PRO A 538 68.961 -15.707 -5.640 1.00 0.00 N ATOM 289 CA PRO A 538 69.773 -15.739 -6.904 1.00 0.00 C ATOM 290 C PRO A 538 69.204 -14.826 -7.992 1.00 0.00 C ATOM 291 O PRO A 538 69.951 -14.291 -8.813 1.00 0.00 O ATOM 292 CB PRO A 538 69.732 -17.206 -7.350 1.00 0.00 C ATOM 293 CG PRO A 538 69.344 -17.985 -6.141 1.00 0.00 C ATOM 294 CD PRO A 538 68.484 -17.058 -5.289 1.00 0.00 C ATOM 0 HA PRO A 538 70.785 -15.374 -6.731 1.00 0.00 H new ATOM 0 HB2 PRO A 538 69.012 -17.350 -8.156 1.00 0.00 H new ATOM 0 HB3 PRO A 538 70.703 -17.527 -7.728 1.00 0.00 H new ATOM 0 HG2 PRO A 538 68.791 -18.882 -6.418 1.00 0.00 H new ATOM 0 HG3 PRO A 538 70.226 -18.312 -5.590 1.00 0.00 H new ATOM 0 HD2 PRO A 538 67.424 -17.178 -5.514 1.00 0.00 H new ATOM 0 HD3 PRO A 538 68.610 -17.262 -4.226 1.00 0.00 H new ATOM 302 N GLU A 539 67.888 -14.608 -7.962 1.00 0.00 N ATOM 303 CA GLU A 539 67.244 -13.765 -8.968 1.00 0.00 C ATOM 304 C GLU A 539 67.699 -12.316 -8.811 1.00 0.00 C ATOM 305 O GLU A 539 67.945 -11.625 -9.798 1.00 0.00 O ATOM 306 CB GLU A 539 65.721 -13.843 -8.836 1.00 0.00 C ATOM 307 CG GLU A 539 65.262 -15.291 -9.027 1.00 0.00 C ATOM 308 CD GLU A 539 63.738 -15.374 -9.006 1.00 0.00 C ATOM 309 OE1 GLU A 539 63.128 -14.623 -8.259 1.00 0.00 O ATOM 310 OE2 GLU A 539 63.199 -16.188 -9.738 1.00 0.00 O ATOM 0 H GLU A 539 67.256 -14.997 -7.263 1.00 0.00 H new ATOM 0 HA GLU A 539 67.533 -14.127 -9.955 1.00 0.00 H new ATOM 0 HB2 GLU A 539 65.412 -13.479 -7.856 1.00 0.00 H new ATOM 0 HB3 GLU A 539 65.248 -13.200 -9.578 1.00 0.00 H new ATOM 0 HG2 GLU A 539 65.640 -15.677 -9.973 1.00 0.00 H new ATOM 0 HG3 GLU A 539 65.677 -15.918 -8.238 1.00 0.00 H new ATOM 317 N VAL A 540 67.905 -11.894 -7.565 1.00 0.00 N ATOM 318 CA VAL A 540 68.343 -10.527 -7.289 1.00 0.00 C ATOM 319 C VAL A 540 69.748 -10.306 -7.849 1.00 0.00 C ATOM 320 O VAL A 540 70.001 -9.325 -8.549 1.00 0.00 O ATOM 321 CB VAL A 540 68.339 -10.274 -5.774 1.00 0.00 C ATOM 322 CG1 VAL A 540 68.721 -8.820 -5.476 1.00 0.00 C ATOM 323 CG2 VAL A 540 66.942 -10.555 -5.212 1.00 0.00 C ATOM 0 H VAL A 540 67.777 -12.474 -6.736 1.00 0.00 H new ATOM 0 HA VAL A 540 67.656 -9.830 -7.769 1.00 0.00 H new ATOM 0 HB VAL A 540 69.067 -10.936 -5.305 1.00 0.00 H new ATOM 0 HG11 VAL A 540 68.714 -8.655 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 540 69.718 -8.618 -5.867 1.00 0.00 H new ATOM 0 HG13 VAL A 540 68.003 -8.151 -5.950 1.00 0.00 H new ATOM 0 HG21 VAL A 540 66.939 -10.375 -4.137 1.00 0.00 H new ATOM 0 HG22 VAL A 540 66.218 -9.897 -5.692 1.00 0.00 H new ATOM 0 HG23 VAL A 540 66.673 -11.593 -5.407 1.00 0.00 H new ATOM 333 N ALA A 541 70.647 -11.245 -7.565 1.00 0.00 N ATOM 334 CA ALA A 541 72.048 -11.109 -7.964 1.00 0.00 C ATOM 335 C ALA A 541 72.166 -10.959 -9.481 1.00 0.00 C ATOM 336 O ALA A 541 72.848 -10.061 -9.982 1.00 0.00 O ATOM 337 CB ALA A 541 72.834 -12.346 -7.510 1.00 0.00 C ATOM 0 H ALA A 541 70.433 -12.106 -7.062 1.00 0.00 H new ATOM 0 HA ALA A 541 72.458 -10.216 -7.492 1.00 0.00 H new ATOM 0 HB1 ALA A 541 73.878 -12.244 -7.808 1.00 0.00 H new ATOM 0 HB2 ALA A 541 72.773 -12.438 -6.426 1.00 0.00 H new ATOM 0 HB3 ALA A 541 72.410 -13.237 -7.974 1.00 0.00 H new ATOM 343 N ALA A 542 71.445 -11.812 -10.202 1.00 0.00 N ATOM 344 CA ALA A 542 71.546 -11.856 -11.662 1.00 0.00 C ATOM 345 C ALA A 542 71.082 -10.542 -12.292 1.00 0.00 C ATOM 346 O ALA A 542 71.726 -10.023 -13.204 1.00 0.00 O ATOM 347 CB ALA A 542 70.700 -13.007 -12.211 1.00 0.00 C ATOM 0 H ALA A 542 70.786 -12.481 -9.804 1.00 0.00 H new ATOM 0 HA ALA A 542 72.594 -12.011 -11.919 1.00 0.00 H new ATOM 0 HB1 ALA A 542 70.781 -13.032 -13.298 1.00 0.00 H new ATOM 0 HB2 ALA A 542 71.058 -13.950 -11.799 1.00 0.00 H new ATOM 0 HB3 ALA A 542 69.658 -12.859 -11.928 1.00 0.00 H new ATOM 353 N ILE A 543 69.966 -10.011 -11.799 1.00 0.00 N ATOM 354 CA ILE A 543 69.379 -8.797 -12.371 1.00 0.00 C ATOM 355 C ILE A 543 70.283 -7.586 -12.113 1.00 0.00 C ATOM 356 O ILE A 543 70.404 -6.706 -12.968 1.00 0.00 O ATOM 357 CB ILE A 543 67.982 -8.569 -11.766 1.00 0.00 C ATOM 358 CG1 ILE A 543 67.111 -9.802 -12.039 1.00 0.00 C ATOM 359 CG2 ILE A 543 67.318 -7.346 -12.415 1.00 0.00 C ATOM 360 CD1 ILE A 543 65.814 -9.705 -11.235 1.00 0.00 C ATOM 0 H ILE A 543 69.450 -10.398 -11.009 1.00 0.00 H new ATOM 0 HA ILE A 543 69.285 -8.921 -13.450 1.00 0.00 H new ATOM 0 HB ILE A 543 68.082 -8.401 -10.694 1.00 0.00 H new ATOM 0 HG12 ILE A 543 66.886 -9.872 -13.103 1.00 0.00 H new ATOM 0 HG13 ILE A 543 67.652 -10.709 -11.767 1.00 0.00 H new ATOM 0 HG21 ILE A 543 66.330 -7.194 -11.979 1.00 0.00 H new ATOM 0 HG22 ILE A 543 67.932 -6.463 -12.239 1.00 0.00 H new ATOM 0 HG23 ILE A 543 67.220 -7.512 -13.488 1.00 0.00 H new ATOM 0 HD11 ILE A 543 65.198 -10.582 -11.431 1.00 0.00 H new ATOM 0 HD12 ILE A 543 66.048 -9.656 -10.172 1.00 0.00 H new ATOM 0 HD13 ILE A 543 65.270 -8.807 -11.528 1.00 0.00 H new ATOM 372 N MET A 544 70.912 -7.545 -10.936 1.00 0.00 N ATOM 373 CA MET A 544 71.811 -6.438 -10.593 1.00 0.00 C ATOM 374 C MET A 544 72.994 -6.373 -11.559 1.00 0.00 C ATOM 375 O MET A 544 73.454 -5.287 -11.916 1.00 0.00 O ATOM 376 CB MET A 544 72.333 -6.605 -9.165 1.00 0.00 C ATOM 377 CG MET A 544 71.220 -6.274 -8.171 1.00 0.00 C ATOM 378 SD MET A 544 71.915 -6.185 -6.503 1.00 0.00 S ATOM 379 CE MET A 544 70.387 -5.735 -5.646 1.00 0.00 C ATOM 0 H MET A 544 70.818 -8.256 -10.211 1.00 0.00 H new ATOM 0 HA MET A 544 71.244 -5.510 -10.670 1.00 0.00 H new ATOM 0 HB2 MET A 544 72.680 -7.627 -9.011 1.00 0.00 H new ATOM 0 HB3 MET A 544 73.188 -5.950 -9.001 1.00 0.00 H new ATOM 0 HG2 MET A 544 70.752 -5.325 -8.434 1.00 0.00 H new ATOM 0 HG3 MET A 544 70.441 -7.035 -8.213 1.00 0.00 H new ATOM 0 HE1 MET A 544 70.552 -5.764 -4.569 1.00 0.00 H new ATOM 0 HE2 MET A 544 70.088 -4.729 -5.940 1.00 0.00 H new ATOM 0 HE3 MET A 544 69.600 -6.440 -5.912 1.00 0.00 H new ATOM 389 N GLN A 545 73.476 -7.543 -11.975 1.00 0.00 N ATOM 390 CA GLN A 545 74.559 -7.614 -12.955 1.00 0.00 C ATOM 391 C GLN A 545 74.045 -7.520 -14.399 1.00 0.00 C ATOM 392 O GLN A 545 74.825 -7.643 -15.344 1.00 0.00 O ATOM 393 CB GLN A 545 75.320 -8.926 -12.778 1.00 0.00 C ATOM 394 CG GLN A 545 76.372 -8.769 -11.678 1.00 0.00 C ATOM 395 CD GLN A 545 77.050 -10.108 -11.415 1.00 0.00 C ATOM 396 OE1 GLN A 545 76.931 -10.662 -10.322 1.00 0.00 O ATOM 397 NE2 GLN A 545 77.758 -10.666 -12.358 1.00 0.00 N ATOM 0 H GLN A 545 73.137 -8.449 -11.652 1.00 0.00 H new ATOM 0 HA GLN A 545 75.215 -6.762 -12.780 1.00 0.00 H new ATOM 0 HB2 GLN A 545 74.627 -9.727 -12.520 1.00 0.00 H new ATOM 0 HB3 GLN A 545 75.800 -9.209 -13.715 1.00 0.00 H new ATOM 0 HG2 GLN A 545 77.114 -8.028 -11.975 1.00 0.00 H new ATOM 0 HG3 GLN A 545 75.904 -8.403 -10.764 1.00 0.00 H new ATOM 0 HE21 GLN A 545 77.855 -10.205 -13.263 1.00 0.00 H new ATOM 0 HE22 GLN A 545 78.214 -11.563 -12.190 1.00 0.00 H new ATOM 406 N ASP A 546 72.742 -7.304 -14.566 1.00 0.00 N ATOM 407 CA ASP A 546 72.144 -7.207 -15.896 1.00 0.00 C ATOM 408 C ASP A 546 71.879 -5.730 -16.236 1.00 0.00 C ATOM 409 O ASP A 546 71.257 -5.017 -15.447 1.00 0.00 O ATOM 410 CB ASP A 546 70.820 -7.991 -15.907 1.00 0.00 C ATOM 411 CG ASP A 546 70.519 -8.572 -17.293 1.00 0.00 C ATOM 412 OD1 ASP A 546 71.389 -8.534 -18.147 1.00 0.00 O ATOM 413 OD2 ASP A 546 69.412 -9.050 -17.478 1.00 0.00 O ATOM 0 H ASP A 546 72.080 -7.193 -13.798 1.00 0.00 H new ATOM 0 HA ASP A 546 72.823 -7.625 -16.639 1.00 0.00 H new ATOM 0 HB2 ASP A 546 70.869 -8.798 -15.176 1.00 0.00 H new ATOM 0 HB3 ASP A 546 70.005 -7.334 -15.603 1.00 0.00 H new ATOM 418 N PRO A 547 72.323 -5.261 -17.385 1.00 0.00 N ATOM 419 CA PRO A 547 72.414 -3.792 -17.660 1.00 0.00 C ATOM 420 C PRO A 547 71.047 -3.126 -17.867 1.00 0.00 C ATOM 421 O PRO A 547 70.942 -1.896 -17.852 1.00 0.00 O ATOM 422 CB PRO A 547 73.262 -3.720 -18.928 1.00 0.00 C ATOM 423 CG PRO A 547 72.959 -4.977 -19.664 1.00 0.00 C ATOM 424 CD PRO A 547 72.617 -6.035 -18.611 1.00 0.00 C ATOM 0 HA PRO A 547 72.842 -3.252 -16.816 1.00 0.00 H new ATOM 0 HB2 PRO A 547 73.008 -2.843 -19.523 1.00 0.00 H new ATOM 0 HB3 PRO A 547 74.323 -3.648 -18.690 1.00 0.00 H new ATOM 0 HG2 PRO A 547 72.125 -4.831 -20.351 1.00 0.00 H new ATOM 0 HG3 PRO A 547 73.814 -5.290 -20.263 1.00 0.00 H new ATOM 0 HD2 PRO A 547 71.760 -6.635 -18.916 1.00 0.00 H new ATOM 0 HD3 PRO A 547 73.448 -6.723 -18.456 1.00 0.00 H new ATOM 432 N VAL A 548 69.999 -3.936 -18.055 1.00 0.00 N ATOM 433 CA VAL A 548 68.685 -3.410 -18.445 1.00 0.00 C ATOM 434 C VAL A 548 68.201 -2.355 -17.444 1.00 0.00 C ATOM 435 O VAL A 548 67.777 -1.270 -17.839 1.00 0.00 O ATOM 436 CB VAL A 548 67.670 -4.566 -18.533 1.00 0.00 C ATOM 437 CG1 VAL A 548 66.249 -4.028 -18.765 1.00 0.00 C ATOM 438 CG2 VAL A 548 68.055 -5.486 -19.693 1.00 0.00 C ATOM 0 H VAL A 548 70.033 -4.949 -17.945 1.00 0.00 H new ATOM 0 HA VAL A 548 68.775 -2.934 -19.421 1.00 0.00 H new ATOM 0 HB VAL A 548 67.686 -5.117 -17.592 1.00 0.00 H new ATOM 0 HG11 VAL A 548 65.549 -4.862 -18.824 1.00 0.00 H new ATOM 0 HG12 VAL A 548 65.967 -3.376 -17.938 1.00 0.00 H new ATOM 0 HG13 VAL A 548 66.221 -3.464 -19.698 1.00 0.00 H new ATOM 0 HG21 VAL A 548 67.340 -6.306 -19.760 1.00 0.00 H new ATOM 0 HG22 VAL A 548 68.046 -4.920 -20.625 1.00 0.00 H new ATOM 0 HG23 VAL A 548 69.054 -5.888 -19.522 1.00 0.00 H new ATOM 448 N MET A 549 68.316 -2.654 -16.157 1.00 0.00 N ATOM 449 CA MET A 549 67.740 -1.786 -15.131 1.00 0.00 C ATOM 450 C MET A 549 68.393 -0.409 -15.137 1.00 0.00 C ATOM 451 O MET A 549 67.718 0.602 -14.934 1.00 0.00 O ATOM 452 CB MET A 549 67.890 -2.424 -13.755 1.00 0.00 C ATOM 453 CG MET A 549 66.929 -3.604 -13.648 1.00 0.00 C ATOM 454 SD MET A 549 66.885 -4.177 -11.938 1.00 0.00 S ATOM 455 CE MET A 549 65.106 -4.486 -11.847 1.00 0.00 C ATOM 0 H MET A 549 68.796 -3.480 -15.799 1.00 0.00 H new ATOM 0 HA MET A 549 66.681 -1.661 -15.358 1.00 0.00 H new ATOM 0 HB2 MET A 549 68.916 -2.759 -13.605 1.00 0.00 H new ATOM 0 HB3 MET A 549 67.677 -1.693 -12.975 1.00 0.00 H new ATOM 0 HG2 MET A 549 65.931 -3.307 -13.971 1.00 0.00 H new ATOM 0 HG3 MET A 549 67.250 -4.411 -14.307 1.00 0.00 H new ATOM 0 HE1 MET A 549 64.924 -5.403 -11.287 1.00 0.00 H new ATOM 0 HE2 MET A 549 64.617 -3.651 -11.345 1.00 0.00 H new ATOM 0 HE3 MET A 549 64.703 -4.590 -12.854 1.00 0.00 H new ATOM 465 N GLN A 550 69.698 -0.363 -15.405 1.00 0.00 N ATOM 466 CA GLN A 550 70.404 0.915 -15.505 1.00 0.00 C ATOM 467 C GLN A 550 69.803 1.778 -16.614 1.00 0.00 C ATOM 468 O GLN A 550 69.558 2.971 -16.424 1.00 0.00 O ATOM 469 CB GLN A 550 71.887 0.673 -15.799 1.00 0.00 C ATOM 470 CG GLN A 550 72.532 -0.047 -14.614 1.00 0.00 C ATOM 471 CD GLN A 550 74.003 -0.326 -14.908 1.00 0.00 C ATOM 472 OE1 GLN A 550 74.368 -0.599 -16.052 1.00 0.00 O ATOM 473 NE2 GLN A 550 74.874 -0.274 -13.937 1.00 0.00 N ATOM 0 H GLN A 550 70.282 -1.185 -15.555 1.00 0.00 H new ATOM 0 HA GLN A 550 70.300 1.438 -14.554 1.00 0.00 H new ATOM 0 HB2 GLN A 550 71.996 0.076 -16.704 1.00 0.00 H new ATOM 0 HB3 GLN A 550 72.392 1.622 -15.980 1.00 0.00 H new ATOM 0 HG2 GLN A 550 72.442 0.563 -13.715 1.00 0.00 H new ATOM 0 HG3 GLN A 550 72.008 -0.983 -14.418 1.00 0.00 H new ATOM 0 HE21 GLN A 550 74.569 -0.048 -12.990 1.00 0.00 H new ATOM 0 HE22 GLN A 550 75.859 -0.460 -14.125 1.00 0.00 H new ATOM 482 N SER A 551 69.541 1.155 -17.766 1.00 0.00 N ATOM 483 CA SER A 551 68.961 1.873 -18.902 1.00 0.00 C ATOM 484 C SER A 551 67.574 2.432 -18.567 1.00 0.00 C ATOM 485 O SER A 551 67.248 3.549 -18.964 1.00 0.00 O ATOM 486 CB SER A 551 68.873 0.954 -20.125 1.00 0.00 C ATOM 487 OG SER A 551 67.780 0.058 -19.977 1.00 0.00 O ATOM 0 H SER A 551 69.719 0.165 -17.935 1.00 0.00 H new ATOM 0 HA SER A 551 69.617 2.713 -19.130 1.00 0.00 H new ATOM 0 HB2 SER A 551 68.747 1.549 -21.030 1.00 0.00 H new ATOM 0 HB3 SER A 551 69.801 0.394 -20.238 1.00 0.00 H new ATOM 0 HG SER A 551 67.711 -0.222 -19.040 1.00 0.00 H new ATOM 493 N ILE A 552 66.772 1.675 -17.812 1.00 0.00 N ATOM 494 CA ILE A 552 65.424 2.127 -17.444 1.00 0.00 C ATOM 495 C ILE A 552 65.498 3.405 -16.606 1.00 0.00 C ATOM 496 O ILE A 552 64.796 4.376 -16.881 1.00 0.00 O ATOM 497 CB ILE A 552 64.682 1.031 -16.652 1.00 0.00 C ATOM 498 CG1 ILE A 552 64.692 -0.280 -17.452 1.00 0.00 C ATOM 499 CG2 ILE A 552 63.223 1.459 -16.394 1.00 0.00 C ATOM 500 CD1 ILE A 552 64.184 -1.425 -16.572 1.00 0.00 C ATOM 0 H ILE A 552 67.027 0.757 -17.447 1.00 0.00 H new ATOM 0 HA ILE A 552 64.874 2.334 -18.362 1.00 0.00 H new ATOM 0 HB ILE A 552 65.187 0.883 -15.697 1.00 0.00 H new ATOM 0 HG12 ILE A 552 64.063 -0.182 -18.337 1.00 0.00 H new ATOM 0 HG13 ILE A 552 65.702 -0.497 -17.801 1.00 0.00 H new ATOM 0 HG21 ILE A 552 62.708 0.678 -15.834 1.00 0.00 H new ATOM 0 HG22 ILE A 552 63.212 2.385 -15.819 1.00 0.00 H new ATOM 0 HG23 ILE A 552 62.716 1.617 -17.346 1.00 0.00 H new ATOM 0 HD11 ILE A 552 64.192 -2.354 -17.143 1.00 0.00 H new ATOM 0 HD12 ILE A 552 64.831 -1.529 -15.701 1.00 0.00 H new ATOM 0 HD13 ILE A 552 63.167 -1.209 -16.245 1.00 0.00 H new ATOM 512 N LEU A 553 66.373 3.402 -15.601 1.00 0.00 N ATOM 513 CA LEU A 553 66.522 4.560 -14.713 1.00 0.00 C ATOM 514 C LEU A 553 66.893 5.819 -15.502 1.00 0.00 C ATOM 515 O LEU A 553 66.227 6.852 -15.392 1.00 0.00 O ATOM 516 CB LEU A 553 67.599 4.281 -13.661 1.00 0.00 C ATOM 517 CG LEU A 553 67.171 3.098 -12.788 1.00 0.00 C ATOM 518 CD1 LEU A 553 68.345 2.663 -11.908 1.00 0.00 C ATOM 519 CD2 LEU A 553 65.999 3.518 -11.894 1.00 0.00 C ATOM 0 H LEU A 553 66.987 2.618 -15.380 1.00 0.00 H new ATOM 0 HA LEU A 553 65.564 4.730 -14.221 1.00 0.00 H new ATOM 0 HB2 LEU A 553 68.549 4.061 -14.148 1.00 0.00 H new ATOM 0 HB3 LEU A 553 67.755 5.165 -13.042 1.00 0.00 H new ATOM 0 HG LEU A 553 66.865 2.270 -13.427 1.00 0.00 H new ATOM 0 HD11 LEU A 553 68.041 1.821 -11.286 1.00 0.00 H new ATOM 0 HD12 LEU A 553 69.182 2.365 -12.539 1.00 0.00 H new ATOM 0 HD13 LEU A 553 68.649 3.493 -11.271 1.00 0.00 H new ATOM 0 HD21 LEU A 553 65.695 2.675 -11.273 1.00 0.00 H new ATOM 0 HD22 LEU A 553 66.307 4.347 -11.256 1.00 0.00 H new ATOM 0 HD23 LEU A 553 65.161 3.831 -12.516 1.00 0.00 H new ATOM 531 N GLN A 554 67.923 5.710 -16.343 1.00 0.00 N ATOM 532 CA GLN A 554 68.370 6.852 -17.145 1.00 0.00 C ATOM 533 C GLN A 554 67.234 7.381 -18.019 1.00 0.00 C ATOM 534 O GLN A 554 66.881 8.559 -17.947 1.00 0.00 O ATOM 535 CB GLN A 554 69.548 6.439 -18.033 1.00 0.00 C ATOM 536 CG GLN A 554 70.743 6.059 -17.156 1.00 0.00 C ATOM 537 CD GLN A 554 71.913 5.616 -18.028 1.00 0.00 C ATOM 538 OE1 GLN A 554 71.712 5.001 -19.076 1.00 0.00 O ATOM 539 NE2 GLN A 554 73.132 5.894 -17.656 1.00 0.00 N ATOM 0 H GLN A 554 68.458 4.854 -16.486 1.00 0.00 H new ATOM 0 HA GLN A 554 68.685 7.643 -16.465 1.00 0.00 H new ATOM 0 HB2 GLN A 554 69.264 5.596 -18.663 1.00 0.00 H new ATOM 0 HB3 GLN A 554 69.819 7.258 -18.699 1.00 0.00 H new ATOM 0 HG2 GLN A 554 71.039 6.910 -16.542 1.00 0.00 H new ATOM 0 HG3 GLN A 554 70.463 5.256 -16.474 1.00 0.00 H new ATOM 0 HE21 GLN A 554 73.297 6.403 -16.788 1.00 0.00 H new ATOM 0 HE22 GLN A 554 73.921 5.602 -18.233 1.00 0.00 H new ATOM 548 N GLN A 555 66.573 6.474 -18.738 1.00 0.00 N ATOM 549 CA GLN A 555 65.517 6.862 -19.675 1.00 0.00 C ATOM 550 C GLN A 555 64.379 7.587 -18.956 1.00 0.00 C ATOM 551 O GLN A 555 63.803 8.531 -19.495 1.00 0.00 O ATOM 552 CB GLN A 555 64.964 5.621 -20.379 1.00 0.00 C ATOM 553 CG GLN A 555 66.000 5.096 -21.376 1.00 0.00 C ATOM 554 CD GLN A 555 65.444 3.884 -22.114 1.00 0.00 C ATOM 555 OE1 GLN A 555 64.652 4.031 -23.045 1.00 0.00 O ATOM 556 NE2 GLN A 555 65.812 2.685 -21.752 1.00 0.00 N ATOM 0 H GLN A 555 66.748 5.470 -18.691 1.00 0.00 H new ATOM 0 HA GLN A 555 65.951 7.541 -20.409 1.00 0.00 H new ATOM 0 HB2 GLN A 555 64.725 4.850 -19.646 1.00 0.00 H new ATOM 0 HB3 GLN A 555 64.037 5.866 -20.897 1.00 0.00 H new ATOM 0 HG2 GLN A 555 66.260 5.878 -22.089 1.00 0.00 H new ATOM 0 HG3 GLN A 555 66.916 4.824 -20.852 1.00 0.00 H new ATOM 0 HE21 GLN A 555 66.468 2.564 -20.981 1.00 0.00 H new ATOM 0 HE22 GLN A 555 65.443 1.869 -22.241 1.00 0.00 H new ATOM 565 N ALA A 556 64.053 7.132 -17.745 1.00 0.00 N ATOM 566 CA ALA A 556 62.973 7.738 -16.966 1.00 0.00 C ATOM 567 C ALA A 556 63.288 9.187 -16.608 1.00 0.00 C ATOM 568 O ALA A 556 62.387 10.025 -16.548 1.00 0.00 O ATOM 569 CB ALA A 556 62.739 6.938 -15.682 1.00 0.00 C ATOM 0 H ALA A 556 64.519 6.350 -17.285 1.00 0.00 H new ATOM 0 HA ALA A 556 62.073 7.723 -17.581 1.00 0.00 H new ATOM 0 HB1 ALA A 556 61.933 7.397 -15.109 1.00 0.00 H new ATOM 0 HB2 ALA A 556 62.466 5.914 -15.936 1.00 0.00 H new ATOM 0 HB3 ALA A 556 63.651 6.933 -15.085 1.00 0.00 H new ATOM 575 N GLN A 557 64.569 9.482 -16.371 1.00 0.00 N ATOM 576 CA GLN A 557 64.979 10.845 -16.031 1.00 0.00 C ATOM 577 C GLN A 557 64.753 11.774 -17.219 1.00 0.00 C ATOM 578 O GLN A 557 64.246 12.886 -17.067 1.00 0.00 O ATOM 579 CB GLN A 557 66.459 10.864 -15.644 1.00 0.00 C ATOM 580 CG GLN A 557 66.673 10.015 -14.389 1.00 0.00 C ATOM 581 CD GLN A 557 68.152 9.989 -14.019 1.00 0.00 C ATOM 582 OE1 GLN A 557 69.015 9.992 -14.898 1.00 0.00 O ATOM 583 NE2 GLN A 557 68.499 9.963 -12.761 1.00 0.00 N ATOM 0 H GLN A 557 65.331 8.804 -16.408 1.00 0.00 H new ATOM 0 HA GLN A 557 64.380 11.189 -15.188 1.00 0.00 H new ATOM 0 HB2 GLN A 557 67.065 10.478 -16.464 1.00 0.00 H new ATOM 0 HB3 GLN A 557 66.785 11.888 -15.462 1.00 0.00 H new ATOM 0 HG2 GLN A 557 66.091 10.421 -13.562 1.00 0.00 H new ATOM 0 HG3 GLN A 557 66.316 9.000 -14.562 1.00 0.00 H new ATOM 0 HE21 GLN A 557 67.783 9.961 -12.034 1.00 0.00 H new ATOM 0 HE22 GLN A 557 69.486 9.945 -12.504 1.00 0.00 H new ATOM 592 N GLN A 558 65.139 11.300 -18.402 1.00 0.00 N ATOM 593 CA GLN A 558 64.899 12.041 -19.638 1.00 0.00 C ATOM 594 C GLN A 558 63.419 12.002 -20.026 1.00 0.00 C ATOM 595 O GLN A 558 62.914 12.931 -20.659 1.00 0.00 O ATOM 596 CB GLN A 558 65.739 11.451 -20.773 1.00 0.00 C ATOM 597 CG GLN A 558 67.225 11.615 -20.449 1.00 0.00 C ATOM 598 CD GLN A 558 68.072 11.093 -21.605 1.00 0.00 C ATOM 599 OE1 GLN A 558 67.705 11.254 -22.769 1.00 0.00 O ATOM 600 NE2 GLN A 558 69.191 10.472 -21.352 1.00 0.00 N ATOM 0 H GLN A 558 65.618 10.409 -18.530 1.00 0.00 H new ATOM 0 HA GLN A 558 65.186 13.079 -19.469 1.00 0.00 H new ATOM 0 HB2 GLN A 558 65.500 10.396 -20.906 1.00 0.00 H new ATOM 0 HB3 GLN A 558 65.503 11.952 -21.712 1.00 0.00 H new ATOM 0 HG2 GLN A 558 67.452 12.665 -20.266 1.00 0.00 H new ATOM 0 HG3 GLN A 558 67.468 11.073 -19.535 1.00 0.00 H new ATOM 0 HE21 GLN A 558 69.494 10.339 -20.387 1.00 0.00 H new ATOM 0 HE22 GLN A 558 69.763 10.119 -22.119 1.00 0.00 H new ATOM 609 N ASN A 559 62.728 10.925 -19.644 1.00 0.00 N ATOM 610 CA ASN A 559 61.335 10.732 -20.036 1.00 0.00 C ATOM 611 C ASN A 559 60.672 9.679 -19.137 1.00 0.00 C ATOM 612 O ASN A 559 60.805 8.480 -19.385 1.00 0.00 O ATOM 613 CB ASN A 559 61.270 10.274 -21.493 1.00 0.00 C ATOM 614 CG ASN A 559 59.919 10.640 -22.098 1.00 0.00 C ATOM 615 OD1 ASN A 559 59.178 9.762 -22.542 1.00 0.00 O ATOM 616 ND2 ASN A 559 59.550 11.891 -22.141 1.00 0.00 N ATOM 0 H ASN A 559 63.111 10.177 -19.066 1.00 0.00 H new ATOM 0 HA ASN A 559 60.804 11.677 -19.926 1.00 0.00 H new ATOM 0 HB2 ASN A 559 62.072 10.741 -22.065 1.00 0.00 H new ATOM 0 HB3 ASN A 559 61.423 9.196 -21.551 1.00 0.00 H new ATOM 0 HD21 ASN A 559 58.647 12.143 -22.543 1.00 0.00 H new ATOM 0 HD22 ASN A 559 60.165 12.617 -21.773 1.00 0.00 H new ATOM 623 N PRO A 560 59.961 10.096 -18.108 1.00 0.00 N ATOM 624 CA PRO A 560 59.533 9.164 -17.015 1.00 0.00 C ATOM 625 C PRO A 560 58.609 8.043 -17.507 1.00 0.00 C ATOM 626 O PRO A 560 58.461 7.021 -16.838 1.00 0.00 O ATOM 627 CB PRO A 560 58.807 10.068 -16.012 1.00 0.00 C ATOM 628 CG PRO A 560 58.370 11.258 -16.793 1.00 0.00 C ATOM 629 CD PRO A 560 59.408 11.450 -17.895 1.00 0.00 C ATOM 0 HA PRO A 560 60.389 8.643 -16.586 1.00 0.00 H new ATOM 0 HB2 PRO A 560 57.954 9.555 -15.568 1.00 0.00 H new ATOM 0 HB3 PRO A 560 59.467 10.356 -15.194 1.00 0.00 H new ATOM 0 HG2 PRO A 560 57.378 11.103 -17.216 1.00 0.00 H new ATOM 0 HG3 PRO A 560 58.311 12.141 -16.156 1.00 0.00 H new ATOM 0 HD2 PRO A 560 58.955 11.844 -18.805 1.00 0.00 H new ATOM 0 HD3 PRO A 560 60.183 12.155 -17.594 1.00 0.00 H new ATOM 637 N ALA A 561 57.994 8.238 -18.676 1.00 0.00 N ATOM 638 CA ALA A 561 57.036 7.263 -19.200 1.00 0.00 C ATOM 639 C ALA A 561 57.721 5.935 -19.527 1.00 0.00 C ATOM 640 O ALA A 561 57.121 4.867 -19.384 1.00 0.00 O ATOM 641 CB ALA A 561 56.358 7.814 -20.456 1.00 0.00 C ATOM 0 H ALA A 561 58.140 9.053 -19.272 1.00 0.00 H new ATOM 0 HA ALA A 561 56.286 7.083 -18.430 1.00 0.00 H new ATOM 0 HB1 ALA A 561 55.647 7.081 -20.837 1.00 0.00 H new ATOM 0 HB2 ALA A 561 55.831 8.736 -20.210 1.00 0.00 H new ATOM 0 HB3 ALA A 561 57.112 8.018 -21.216 1.00 0.00 H new ATOM 647 N ALA A 562 58.980 6.003 -19.962 1.00 0.00 N ATOM 648 CA ALA A 562 59.733 4.794 -20.319 1.00 0.00 C ATOM 649 C ALA A 562 59.779 3.794 -19.161 1.00 0.00 C ATOM 650 O ALA A 562 59.714 2.583 -19.377 1.00 0.00 O ATOM 651 CB ALA A 562 61.161 5.170 -20.721 1.00 0.00 C ATOM 0 H ALA A 562 59.499 6.874 -20.076 1.00 0.00 H new ATOM 0 HA ALA A 562 59.221 4.321 -21.157 1.00 0.00 H new ATOM 0 HB1 ALA A 562 61.714 4.269 -20.985 1.00 0.00 H new ATOM 0 HB2 ALA A 562 61.133 5.842 -21.579 1.00 0.00 H new ATOM 0 HB3 ALA A 562 61.655 5.668 -19.886 1.00 0.00 H new ATOM 657 N LEU A 563 59.845 4.300 -17.930 1.00 0.00 N ATOM 658 CA LEU A 563 59.984 3.423 -16.772 1.00 0.00 C ATOM 659 C LEU A 563 58.696 2.611 -16.582 1.00 0.00 C ATOM 660 O LEU A 563 58.733 1.428 -16.238 1.00 0.00 O ATOM 661 CB LEU A 563 60.369 4.272 -15.525 1.00 0.00 C ATOM 662 CG LEU A 563 59.159 4.792 -14.716 1.00 0.00 C ATOM 663 CD1 LEU A 563 58.453 3.640 -13.976 1.00 0.00 C ATOM 664 CD2 LEU A 563 59.651 5.829 -13.701 1.00 0.00 C ATOM 0 H LEU A 563 59.805 5.296 -17.712 1.00 0.00 H new ATOM 0 HA LEU A 563 60.787 2.702 -16.925 1.00 0.00 H new ATOM 0 HB2 LEU A 563 60.999 3.670 -14.870 1.00 0.00 H new ATOM 0 HB3 LEU A 563 60.968 5.123 -15.849 1.00 0.00 H new ATOM 0 HG LEU A 563 58.443 5.244 -15.403 1.00 0.00 H new ATOM 0 HD11 LEU A 563 57.605 4.033 -13.415 1.00 0.00 H new ATOM 0 HD12 LEU A 563 58.100 2.905 -14.699 1.00 0.00 H new ATOM 0 HD13 LEU A 563 59.154 3.165 -13.289 1.00 0.00 H new ATOM 0 HD21 LEU A 563 58.805 6.203 -13.124 1.00 0.00 H new ATOM 0 HD22 LEU A 563 60.373 5.366 -13.028 1.00 0.00 H new ATOM 0 HD23 LEU A 563 60.126 6.657 -14.228 1.00 0.00 H new ATOM 676 N GLN A 564 57.555 3.258 -16.838 1.00 0.00 N ATOM 677 CA GLN A 564 56.256 2.599 -16.702 1.00 0.00 C ATOM 678 C GLN A 564 56.147 1.409 -17.654 1.00 0.00 C ATOM 679 O GLN A 564 55.970 0.273 -17.215 1.00 0.00 O ATOM 680 CB GLN A 564 55.131 3.593 -17.000 1.00 0.00 C ATOM 681 CG GLN A 564 55.144 4.709 -15.953 1.00 0.00 C ATOM 682 CD GLN A 564 54.052 5.730 -16.260 1.00 0.00 C ATOM 683 OE1 GLN A 564 53.754 5.992 -17.425 1.00 0.00 O ATOM 684 NE2 GLN A 564 53.433 6.324 -15.277 1.00 0.00 N ATOM 0 H GLN A 564 57.506 4.231 -17.139 1.00 0.00 H new ATOM 0 HA GLN A 564 56.164 2.238 -15.678 1.00 0.00 H new ATOM 0 HB2 GLN A 564 55.258 4.014 -17.997 1.00 0.00 H new ATOM 0 HB3 GLN A 564 54.168 3.082 -16.990 1.00 0.00 H new ATOM 0 HG2 GLN A 564 54.990 4.288 -14.960 1.00 0.00 H new ATOM 0 HG3 GLN A 564 56.118 5.198 -15.944 1.00 0.00 H new ATOM 0 HE21 GLN A 564 53.681 6.106 -14.312 1.00 0.00 H new ATOM 0 HE22 GLN A 564 52.701 7.007 -15.474 1.00 0.00 H new ATOM 693 N GLU A 565 56.404 1.652 -18.941 1.00 0.00 N ATOM 694 CA GLU A 565 56.293 0.593 -19.951 1.00 0.00 C ATOM 695 C GLU A 565 57.257 -0.562 -19.656 1.00 0.00 C ATOM 696 O GLU A 565 56.998 -1.706 -20.028 1.00 0.00 O ATOM 697 CB GLU A 565 56.568 1.162 -21.348 1.00 0.00 C ATOM 698 CG GLU A 565 57.961 1.797 -21.399 1.00 0.00 C ATOM 699 CD GLU A 565 58.337 2.114 -22.841 1.00 0.00 C ATOM 700 OE1 GLU A 565 57.577 2.813 -23.490 1.00 0.00 O ATOM 701 OE2 GLU A 565 59.379 1.652 -23.277 1.00 0.00 O ATOM 0 H GLU A 565 56.687 2.561 -19.307 1.00 0.00 H new ATOM 0 HA GLU A 565 55.276 0.203 -19.916 1.00 0.00 H new ATOM 0 HB2 GLU A 565 56.495 0.369 -22.092 1.00 0.00 H new ATOM 0 HB3 GLU A 565 55.812 1.906 -21.600 1.00 0.00 H new ATOM 0 HG2 GLU A 565 57.976 2.709 -20.802 1.00 0.00 H new ATOM 0 HG3 GLU A 565 58.695 1.119 -20.964 1.00 0.00 H new ATOM 708 N HIS A 566 58.368 -0.246 -18.987 1.00 0.00 N ATOM 709 CA HIS A 566 59.324 -1.275 -18.576 1.00 0.00 C ATOM 710 C HIS A 566 58.688 -2.237 -17.572 1.00 0.00 C ATOM 711 O HIS A 566 58.809 -3.452 -17.709 1.00 0.00 O ATOM 712 CB HIS A 566 60.566 -0.630 -17.960 1.00 0.00 C ATOM 713 CG HIS A 566 61.577 -0.204 -18.990 1.00 0.00 C ATOM 714 ND1 HIS A 566 61.981 1.115 -19.128 1.00 0.00 N ATOM 715 CD2 HIS A 566 62.264 -0.908 -19.948 1.00 0.00 C ATOM 716 CE1 HIS A 566 62.871 1.162 -20.136 1.00 0.00 C ATOM 717 NE2 HIS A 566 63.081 -0.043 -20.669 1.00 0.00 N ATOM 0 H HIS A 566 58.626 0.704 -18.721 1.00 0.00 H new ATOM 0 HA HIS A 566 59.616 -1.839 -19.462 1.00 0.00 H new ATOM 0 HB2 HIS A 566 60.265 0.238 -17.373 1.00 0.00 H new ATOM 0 HB3 HIS A 566 61.032 -1.335 -17.271 1.00 0.00 H new ATOM 0 HD2 HIS A 566 62.183 -1.972 -20.116 1.00 0.00 H new ATOM 0 HE1 HIS A 566 63.357 2.066 -20.473 1.00 0.00 H new ATOM 0 HE2 HIS A 566 63.706 -0.279 -21.440 1.00 0.00 H new ATOM 725 N MET A 567 57.966 -1.692 -16.593 1.00 0.00 N ATOM 726 CA MET A 567 57.290 -2.524 -15.598 1.00 0.00 C ATOM 727 C MET A 567 56.236 -3.409 -16.267 1.00 0.00 C ATOM 728 O MET A 567 56.057 -4.565 -15.889 1.00 0.00 O ATOM 729 CB MET A 567 56.620 -1.640 -14.542 1.00 0.00 C ATOM 730 CG MET A 567 56.202 -2.496 -13.344 1.00 0.00 C ATOM 731 SD MET A 567 55.235 -1.491 -12.192 1.00 0.00 S ATOM 732 CE MET A 567 56.538 -0.307 -11.773 1.00 0.00 C ATOM 0 H MET A 567 57.835 -0.688 -16.468 1.00 0.00 H new ATOM 0 HA MET A 567 58.034 -3.160 -15.119 1.00 0.00 H new ATOM 0 HB2 MET A 567 57.307 -0.857 -14.220 1.00 0.00 H new ATOM 0 HB3 MET A 567 55.748 -1.144 -14.969 1.00 0.00 H new ATOM 0 HG2 MET A 567 55.614 -3.349 -13.681 1.00 0.00 H new ATOM 0 HG3 MET A 567 57.084 -2.895 -12.843 1.00 0.00 H new ATOM 0 HE1 MET A 567 56.358 0.094 -10.775 1.00 0.00 H new ATOM 0 HE2 MET A 567 57.506 -0.808 -11.794 1.00 0.00 H new ATOM 0 HE3 MET A 567 56.536 0.508 -12.497 1.00 0.00 H new ATOM 742 N LYS A 568 55.561 -2.863 -17.279 1.00 0.00 N ATOM 743 CA LYS A 568 54.557 -3.625 -18.021 1.00 0.00 C ATOM 744 C LYS A 568 55.222 -4.665 -18.923 1.00 0.00 C ATOM 745 O LYS A 568 54.684 -5.754 -19.129 1.00 0.00 O ATOM 746 CB LYS A 568 53.702 -2.679 -18.869 1.00 0.00 C ATOM 747 CG LYS A 568 52.914 -1.742 -17.952 1.00 0.00 C ATOM 748 CD LYS A 568 52.082 -0.777 -18.800 1.00 0.00 C ATOM 749 CE LYS A 568 50.909 -1.529 -19.430 1.00 0.00 C ATOM 750 NZ LYS A 568 50.096 -0.586 -20.247 1.00 0.00 N ATOM 0 H LYS A 568 55.690 -1.904 -17.602 1.00 0.00 H new ATOM 0 HA LYS A 568 53.921 -4.143 -17.303 1.00 0.00 H new ATOM 0 HB2 LYS A 568 54.337 -2.100 -19.539 1.00 0.00 H new ATOM 0 HB3 LYS A 568 53.018 -3.252 -19.495 1.00 0.00 H new ATOM 0 HG2 LYS A 568 52.263 -2.320 -17.296 1.00 0.00 H new ATOM 0 HG3 LYS A 568 53.597 -1.184 -17.312 1.00 0.00 H new ATOM 0 HD2 LYS A 568 51.713 0.041 -18.181 1.00 0.00 H new ATOM 0 HD3 LYS A 568 52.703 -0.333 -19.578 1.00 0.00 H new ATOM 0 HE2 LYS A 568 51.278 -2.343 -20.054 1.00 0.00 H new ATOM 0 HE3 LYS A 568 50.292 -1.979 -18.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 49.298 -1.097 -20.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 49.733 0.176 -19.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 50.689 -0.177 -20.998 1.00 0.00 H new ATOM 764 N ASN A 569 56.395 -4.320 -19.463 1.00 0.00 N ATOM 765 CA ASN A 569 57.147 -5.237 -20.329 1.00 0.00 C ATOM 766 C ASN A 569 57.457 -6.550 -19.591 1.00 0.00 C ATOM 767 O ASN A 569 57.853 -6.521 -18.428 1.00 0.00 O ATOM 768 CB ASN A 569 58.458 -4.568 -20.765 1.00 0.00 C ATOM 769 CG ASN A 569 58.885 -5.073 -22.139 1.00 0.00 C ATOM 770 OD1 ASN A 569 58.126 -4.967 -23.103 1.00 0.00 O ATOM 771 ND2 ASN A 569 60.061 -5.618 -22.288 1.00 0.00 N ATOM 0 H ASN A 569 56.844 -3.416 -19.317 1.00 0.00 H new ATOM 0 HA ASN A 569 56.541 -5.467 -21.205 1.00 0.00 H new ATOM 0 HB2 ASN A 569 58.329 -3.486 -20.793 1.00 0.00 H new ATOM 0 HB3 ASN A 569 59.240 -4.777 -20.035 1.00 0.00 H new ATOM 0 HD21 ASN A 569 60.353 -5.957 -23.204 1.00 0.00 H new ATOM 0 HD22 ASN A 569 60.688 -5.705 -21.488 1.00 0.00 H new ATOM 778 N PRO A 570 57.274 -7.691 -20.231 1.00 0.00 N ATOM 779 CA PRO A 570 57.310 -9.008 -19.514 1.00 0.00 C ATOM 780 C PRO A 570 58.677 -9.306 -18.894 1.00 0.00 C ATOM 781 O PRO A 570 58.770 -9.636 -17.709 1.00 0.00 O ATOM 782 CB PRO A 570 56.961 -10.038 -20.595 1.00 0.00 C ATOM 783 CG PRO A 570 57.271 -9.376 -21.893 1.00 0.00 C ATOM 784 CD PRO A 570 57.052 -7.882 -21.678 1.00 0.00 C ATOM 0 HA PRO A 570 56.616 -9.021 -18.673 1.00 0.00 H new ATOM 0 HB2 PRO A 570 57.545 -10.950 -20.471 1.00 0.00 H new ATOM 0 HB3 PRO A 570 55.910 -10.322 -20.541 1.00 0.00 H new ATOM 0 HG2 PRO A 570 58.298 -9.578 -22.196 1.00 0.00 H new ATOM 0 HG3 PRO A 570 56.625 -9.753 -22.685 1.00 0.00 H new ATOM 0 HD2 PRO A 570 57.748 -7.288 -22.270 1.00 0.00 H new ATOM 0 HD3 PRO A 570 56.046 -7.580 -21.970 1.00 0.00 H new ATOM 792 N GLU A 571 59.740 -9.141 -19.682 1.00 0.00 N ATOM 793 CA GLU A 571 61.082 -9.497 -19.221 1.00 0.00 C ATOM 794 C GLU A 571 61.524 -8.543 -18.114 1.00 0.00 C ATOM 795 O GLU A 571 62.021 -8.968 -17.065 1.00 0.00 O ATOM 796 CB GLU A 571 62.073 -9.438 -20.387 1.00 0.00 C ATOM 797 CG GLU A 571 63.399 -10.080 -19.970 1.00 0.00 C ATOM 798 CD GLU A 571 64.426 -9.924 -21.085 1.00 0.00 C ATOM 799 OE1 GLU A 571 64.205 -10.475 -22.150 1.00 0.00 O ATOM 800 OE2 GLU A 571 65.421 -9.255 -20.859 1.00 0.00 O ATOM 0 H GLU A 571 59.700 -8.768 -20.631 1.00 0.00 H new ATOM 0 HA GLU A 571 61.060 -10.513 -18.827 1.00 0.00 H new ATOM 0 HB2 GLU A 571 61.662 -9.958 -21.253 1.00 0.00 H new ATOM 0 HB3 GLU A 571 62.237 -8.403 -20.685 1.00 0.00 H new ATOM 0 HG2 GLU A 571 63.768 -9.613 -19.057 1.00 0.00 H new ATOM 0 HG3 GLU A 571 63.248 -11.137 -19.749 1.00 0.00 H new ATOM 807 N VAL A 572 61.253 -7.259 -18.315 1.00 0.00 N ATOM 808 CA VAL A 572 61.608 -6.255 -17.324 1.00 0.00 C ATOM 809 C VAL A 572 60.671 -6.362 -16.120 1.00 0.00 C ATOM 810 O VAL A 572 61.087 -6.145 -14.989 1.00 0.00 O ATOM 811 CB VAL A 572 61.538 -4.853 -17.945 1.00 0.00 C ATOM 812 CG1 VAL A 572 61.959 -3.797 -16.915 1.00 0.00 C ATOM 813 CG2 VAL A 572 62.483 -4.783 -19.148 1.00 0.00 C ATOM 0 H VAL A 572 60.793 -6.892 -19.148 1.00 0.00 H new ATOM 0 HA VAL A 572 62.630 -6.428 -16.986 1.00 0.00 H new ATOM 0 HB VAL A 572 60.514 -4.657 -18.262 1.00 0.00 H new ATOM 0 HG11 VAL A 572 61.905 -2.806 -17.367 1.00 0.00 H new ATOM 0 HG12 VAL A 572 61.290 -3.840 -16.055 1.00 0.00 H new ATOM 0 HG13 VAL A 572 62.981 -3.993 -16.590 1.00 0.00 H new ATOM 0 HG21 VAL A 572 62.435 -3.788 -19.591 1.00 0.00 H new ATOM 0 HG22 VAL A 572 63.503 -4.986 -18.822 1.00 0.00 H new ATOM 0 HG23 VAL A 572 62.184 -5.525 -19.889 1.00 0.00 H new ATOM 823 N PHE A 573 59.414 -6.746 -16.366 1.00 0.00 N ATOM 824 CA PHE A 573 58.431 -6.906 -15.286 1.00 0.00 C ATOM 825 C PHE A 573 58.967 -7.839 -14.197 1.00 0.00 C ATOM 826 O PHE A 573 58.920 -7.509 -13.012 1.00 0.00 O ATOM 827 CB PHE A 573 57.119 -7.462 -15.871 1.00 0.00 C ATOM 828 CG PHE A 573 56.095 -7.908 -14.845 1.00 0.00 C ATOM 829 CD1 PHE A 573 55.421 -6.953 -14.043 1.00 0.00 C ATOM 830 CD2 PHE A 573 55.802 -9.286 -14.698 1.00 0.00 C ATOM 831 CE1 PHE A 573 54.457 -7.378 -13.097 1.00 0.00 C ATOM 832 CE2 PHE A 573 54.839 -9.710 -13.750 1.00 0.00 C ATOM 833 CZ PHE A 573 54.165 -8.756 -12.950 1.00 0.00 C ATOM 0 H PHE A 573 59.053 -6.951 -17.298 1.00 0.00 H new ATOM 0 HA PHE A 573 58.242 -5.934 -14.831 1.00 0.00 H new ATOM 0 HB2 PHE A 573 56.668 -6.697 -16.503 1.00 0.00 H new ATOM 0 HB3 PHE A 573 57.357 -8.308 -16.516 1.00 0.00 H new ATOM 0 HD1 PHE A 573 55.643 -5.902 -14.153 1.00 0.00 H new ATOM 0 HD2 PHE A 573 56.314 -10.014 -15.310 1.00 0.00 H new ATOM 0 HE1 PHE A 573 53.943 -6.650 -12.486 1.00 0.00 H new ATOM 0 HE2 PHE A 573 54.619 -10.761 -13.637 1.00 0.00 H new ATOM 0 HZ PHE A 573 53.429 -9.079 -12.228 1.00 0.00 H new ATOM 843 N LYS A 574 59.535 -8.973 -14.612 1.00 0.00 N ATOM 844 CA LYS A 574 60.140 -9.911 -13.663 1.00 0.00 C ATOM 845 C LYS A 574 61.278 -9.244 -12.886 1.00 0.00 C ATOM 846 O LYS A 574 61.336 -9.325 -11.658 1.00 0.00 O ATOM 847 CB LYS A 574 60.688 -11.128 -14.412 1.00 0.00 C ATOM 848 CG LYS A 574 59.532 -11.893 -15.061 1.00 0.00 C ATOM 849 CD LYS A 574 60.066 -13.173 -15.706 1.00 0.00 C ATOM 850 CE LYS A 574 58.933 -13.879 -16.453 1.00 0.00 C ATOM 851 NZ LYS A 574 59.363 -15.259 -16.819 1.00 0.00 N ATOM 0 H LYS A 574 59.589 -9.263 -15.589 1.00 0.00 H new ATOM 0 HA LYS A 574 59.370 -10.225 -12.959 1.00 0.00 H new ATOM 0 HB2 LYS A 574 61.400 -10.809 -15.174 1.00 0.00 H new ATOM 0 HB3 LYS A 574 61.228 -11.779 -13.724 1.00 0.00 H new ATOM 0 HG2 LYS A 574 58.778 -12.137 -14.313 1.00 0.00 H new ATOM 0 HG3 LYS A 574 59.046 -11.270 -15.812 1.00 0.00 H new ATOM 0 HD2 LYS A 574 60.877 -12.935 -16.394 1.00 0.00 H new ATOM 0 HD3 LYS A 574 60.479 -13.833 -14.943 1.00 0.00 H new ATOM 0 HE2 LYS A 574 58.040 -13.918 -15.829 1.00 0.00 H new ATOM 0 HE3 LYS A 574 58.670 -13.319 -17.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 574 58.593 -15.739 -17.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 574 60.203 -15.210 -17.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 574 59.593 -15.791 -15.956 1.00 0.00 H new ATOM 865 N LYS A 575 62.142 -8.532 -13.609 1.00 0.00 N ATOM 866 CA LYS A 575 63.330 -7.926 -13.001 1.00 0.00 C ATOM 867 C LYS A 575 62.953 -6.833 -11.998 1.00 0.00 C ATOM 868 O LYS A 575 63.352 -6.878 -10.829 1.00 0.00 O ATOM 869 CB LYS A 575 64.217 -7.331 -14.092 1.00 0.00 C ATOM 870 CG LYS A 575 64.873 -8.463 -14.886 1.00 0.00 C ATOM 871 CD LYS A 575 65.885 -7.882 -15.874 1.00 0.00 C ATOM 872 CE LYS A 575 66.620 -9.024 -16.579 1.00 0.00 C ATOM 873 NZ LYS A 575 67.598 -9.649 -15.641 1.00 0.00 N ATOM 0 H LYS A 575 62.044 -8.360 -14.610 1.00 0.00 H new ATOM 0 HA LYS A 575 63.869 -8.707 -12.465 1.00 0.00 H new ATOM 0 HB2 LYS A 575 63.624 -6.702 -14.756 1.00 0.00 H new ATOM 0 HB3 LYS A 575 64.981 -6.693 -13.648 1.00 0.00 H new ATOM 0 HG2 LYS A 575 65.370 -9.156 -14.207 1.00 0.00 H new ATOM 0 HG3 LYS A 575 64.113 -9.032 -15.422 1.00 0.00 H new ATOM 0 HD2 LYS A 575 65.376 -7.255 -16.606 1.00 0.00 H new ATOM 0 HD3 LYS A 575 66.597 -7.245 -15.350 1.00 0.00 H new ATOM 0 HE2 LYS A 575 65.905 -9.771 -16.925 1.00 0.00 H new ATOM 0 HE3 LYS A 575 67.138 -8.646 -17.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 575 68.514 -9.764 -16.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 575 67.718 -9.039 -14.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 575 67.245 -10.580 -15.341 1.00 0.00 H new ATOM 887 N ILE A 576 62.156 -5.872 -12.455 1.00 0.00 N ATOM 888 CA ILE A 576 61.757 -4.732 -11.622 1.00 0.00 C ATOM 889 C ILE A 576 61.074 -5.228 -10.335 1.00 0.00 C ATOM 890 O ILE A 576 61.416 -4.797 -9.232 1.00 0.00 O ATOM 891 CB ILE A 576 60.806 -3.807 -12.417 1.00 0.00 C ATOM 892 CG1 ILE A 576 61.478 -3.351 -13.735 1.00 0.00 C ATOM 893 CG2 ILE A 576 60.422 -2.582 -11.569 1.00 0.00 C ATOM 894 CD1 ILE A 576 62.616 -2.355 -13.475 1.00 0.00 C ATOM 0 H ILE A 576 61.771 -5.856 -13.399 1.00 0.00 H new ATOM 0 HA ILE A 576 62.646 -4.166 -11.344 1.00 0.00 H new ATOM 0 HB ILE A 576 59.901 -4.365 -12.659 1.00 0.00 H new ATOM 0 HG12 ILE A 576 61.869 -4.220 -14.264 1.00 0.00 H new ATOM 0 HG13 ILE A 576 60.733 -2.891 -14.384 1.00 0.00 H new ATOM 0 HG21 ILE A 576 59.752 -1.939 -12.141 1.00 0.00 H new ATOM 0 HG22 ILE A 576 59.920 -2.912 -10.660 1.00 0.00 H new ATOM 0 HG23 ILE A 576 61.321 -2.026 -11.305 1.00 0.00 H new ATOM 0 HD11 ILE A 576 63.063 -2.058 -14.424 1.00 0.00 H new ATOM 0 HD12 ILE A 576 62.220 -1.474 -12.969 1.00 0.00 H new ATOM 0 HD13 ILE A 576 63.374 -2.824 -12.848 1.00 0.00 H new ATOM 906 N GLN A 577 60.166 -6.196 -10.482 1.00 0.00 N ATOM 907 CA GLN A 577 59.444 -6.750 -9.332 1.00 0.00 C ATOM 908 C GLN A 577 60.400 -7.363 -8.307 1.00 0.00 C ATOM 909 O GLN A 577 60.244 -7.156 -7.104 1.00 0.00 O ATOM 910 CB GLN A 577 58.460 -7.825 -9.798 1.00 0.00 C ATOM 911 CG GLN A 577 57.238 -7.163 -10.436 1.00 0.00 C ATOM 912 CD GLN A 577 56.149 -8.204 -10.675 1.00 0.00 C ATOM 913 OE1 GLN A 577 54.987 -7.975 -10.343 1.00 0.00 O ATOM 914 NE2 GLN A 577 56.456 -9.343 -11.237 1.00 0.00 N ATOM 0 H GLN A 577 59.914 -6.611 -11.379 1.00 0.00 H new ATOM 0 HA GLN A 577 58.907 -5.928 -8.858 1.00 0.00 H new ATOM 0 HB2 GLN A 577 58.943 -8.487 -10.516 1.00 0.00 H new ATOM 0 HB3 GLN A 577 58.152 -8.441 -8.953 1.00 0.00 H new ATOM 0 HG2 GLN A 577 56.861 -6.373 -9.787 1.00 0.00 H new ATOM 0 HG3 GLN A 577 57.518 -6.694 -11.379 1.00 0.00 H new ATOM 0 HE21 GLN A 577 57.420 -9.533 -11.512 1.00 0.00 H new ATOM 0 HE22 GLN A 577 55.732 -10.043 -11.401 1.00 0.00 H new ATOM 923 N THR A 578 61.398 -8.108 -8.793 1.00 0.00 N ATOM 924 CA THR A 578 62.294 -8.857 -7.909 1.00 0.00 C ATOM 925 C THR A 578 62.957 -7.941 -6.878 1.00 0.00 C ATOM 926 O THR A 578 62.880 -8.201 -5.675 1.00 0.00 O ATOM 927 CB THR A 578 63.374 -9.573 -8.736 1.00 0.00 C ATOM 928 OG1 THR A 578 62.753 -10.299 -9.787 1.00 0.00 O ATOM 929 CG2 THR A 578 64.167 -10.542 -7.849 1.00 0.00 C ATOM 0 H THR A 578 61.604 -8.208 -9.787 1.00 0.00 H new ATOM 0 HA THR A 578 61.695 -9.594 -7.374 1.00 0.00 H new ATOM 0 HB THR A 578 64.057 -8.831 -9.148 1.00 0.00 H new ATOM 0 HG1 THR A 578 62.531 -9.688 -10.520 1.00 0.00 H new ATOM 0 HG21 THR A 578 64.929 -11.042 -8.447 1.00 0.00 H new ATOM 0 HG22 THR A 578 64.646 -9.988 -7.042 1.00 0.00 H new ATOM 0 HG23 THR A 578 63.491 -11.285 -7.427 1.00 0.00 H new ATOM 937 N LEU A 579 63.556 -6.847 -7.338 1.00 0.00 N ATOM 938 CA LEU A 579 64.315 -5.987 -6.428 1.00 0.00 C ATOM 939 C LEU A 579 63.395 -5.244 -5.459 1.00 0.00 C ATOM 940 O LEU A 579 63.765 -5.020 -4.305 1.00 0.00 O ATOM 941 CB LEU A 579 65.169 -4.977 -7.201 1.00 0.00 C ATOM 942 CG LEU A 579 66.076 -5.687 -8.223 1.00 0.00 C ATOM 943 CD1 LEU A 579 67.072 -4.674 -8.780 1.00 0.00 C ATOM 944 CD2 LEU A 579 66.857 -6.832 -7.563 1.00 0.00 C ATOM 0 H LEU A 579 63.535 -6.538 -8.310 1.00 0.00 H new ATOM 0 HA LEU A 579 64.972 -6.639 -5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 579 64.522 -4.267 -7.716 1.00 0.00 H new ATOM 0 HB3 LEU A 579 65.780 -4.404 -6.504 1.00 0.00 H new ATOM 0 HG LEU A 579 65.453 -6.100 -9.016 1.00 0.00 H new ATOM 0 HD11 LEU A 579 67.721 -5.164 -9.506 1.00 0.00 H new ATOM 0 HD12 LEU A 579 66.532 -3.862 -9.266 1.00 0.00 H new ATOM 0 HD13 LEU A 579 67.676 -4.272 -7.966 1.00 0.00 H new ATOM 0 HD21 LEU A 579 67.490 -7.317 -8.306 1.00 0.00 H new ATOM 0 HD22 LEU A 579 67.479 -6.434 -6.761 1.00 0.00 H new ATOM 0 HD23 LEU A 579 66.158 -7.560 -7.152 1.00 0.00 H new ATOM 956 N ILE A 580 62.202 -4.862 -5.922 1.00 0.00 N ATOM 957 CA ILE A 580 61.255 -4.139 -5.066 1.00 0.00 C ATOM 958 C ILE A 580 60.812 -5.022 -3.893 1.00 0.00 C ATOM 959 O ILE A 580 60.786 -4.574 -2.746 1.00 0.00 O ATOM 960 CB ILE A 580 60.033 -3.694 -5.887 1.00 0.00 C ATOM 961 CG1 ILE A 580 60.497 -2.798 -7.040 1.00 0.00 C ATOM 962 CG2 ILE A 580 59.064 -2.902 -4.998 1.00 0.00 C ATOM 963 CD1 ILE A 580 59.334 -2.552 -8.006 1.00 0.00 C ATOM 0 H ILE A 580 61.871 -5.037 -6.871 1.00 0.00 H new ATOM 0 HA ILE A 580 61.752 -3.255 -4.666 1.00 0.00 H new ATOM 0 HB ILE A 580 59.526 -4.576 -6.279 1.00 0.00 H new ATOM 0 HG12 ILE A 580 60.865 -1.849 -6.650 1.00 0.00 H new ATOM 0 HG13 ILE A 580 61.327 -3.269 -7.567 1.00 0.00 H new ATOM 0 HG21 ILE A 580 58.201 -2.591 -5.587 1.00 0.00 H new ATOM 0 HG22 ILE A 580 58.731 -3.531 -4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 580 59.570 -2.021 -4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 580 59.669 -1.914 -8.824 1.00 0.00 H new ATOM 0 HD12 ILE A 580 58.986 -3.504 -8.407 1.00 0.00 H new ATOM 0 HD13 ILE A 580 58.518 -2.062 -7.475 1.00 0.00 H new ATOM 975 N ALA A 581 60.466 -6.274 -4.194 1.00 0.00 N ATOM 976 CA ALA A 581 60.116 -7.243 -3.156 1.00 0.00 C ATOM 977 C ALA A 581 61.296 -7.473 -2.206 1.00 0.00 C ATOM 978 O ALA A 581 61.110 -7.707 -1.012 1.00 0.00 O ATOM 979 CB ALA A 581 59.716 -8.574 -3.797 1.00 0.00 C ATOM 0 H ALA A 581 60.421 -6.640 -5.145 1.00 0.00 H new ATOM 0 HA ALA A 581 59.278 -6.843 -2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 581 59.457 -9.290 -3.017 1.00 0.00 H new ATOM 0 HB2 ALA A 581 58.856 -8.420 -4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 581 60.550 -8.961 -4.382 1.00 0.00 H new ATOM 985 N ALA A 582 62.507 -7.404 -2.759 1.00 0.00 N ATOM 986 CA ALA A 582 63.722 -7.567 -1.966 1.00 0.00 C ATOM 987 C ALA A 582 64.013 -6.329 -1.103 1.00 0.00 C ATOM 988 O ALA A 582 64.924 -6.358 -0.274 1.00 0.00 O ATOM 989 CB ALA A 582 64.912 -7.837 -2.892 1.00 0.00 C ATOM 0 H ALA A 582 62.671 -7.237 -3.752 1.00 0.00 H new ATOM 0 HA ALA A 582 63.569 -8.413 -1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 582 65.817 -7.958 -2.296 1.00 0.00 H new ATOM 0 HB2 ALA A 582 64.729 -8.747 -3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 582 65.038 -6.998 -3.577 1.00 0.00 H new ATOM 995 N GLY A 583 63.248 -5.245 -1.291 1.00 0.00 N ATOM 996 CA GLY A 583 63.443 -4.034 -0.495 1.00 0.00 C ATOM 997 C GLY A 583 64.744 -3.323 -0.862 1.00 0.00 C ATOM 998 O GLY A 583 65.370 -2.691 -0.011 1.00 0.00 O ATOM 0 H GLY A 583 62.498 -5.185 -1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 583 62.602 -3.358 -0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 583 63.455 -4.292 0.564 1.00 0.00 H new ATOM 1002 N ILE A 584 65.153 -3.436 -2.126 1.00 0.00 N ATOM 1003 CA ILE A 584 66.404 -2.820 -2.573 1.00 0.00 C ATOM 1004 C ILE A 584 66.143 -1.474 -3.253 1.00 0.00 C ATOM 1005 O ILE A 584 66.976 -0.569 -3.183 1.00 0.00 O ATOM 1006 CB ILE A 584 67.144 -3.746 -3.548 1.00 0.00 C ATOM 1007 CG1 ILE A 584 67.160 -5.180 -2.991 1.00 0.00 C ATOM 1008 CG2 ILE A 584 68.584 -3.244 -3.713 1.00 0.00 C ATOM 1009 CD1 ILE A 584 67.853 -6.135 -3.972 1.00 0.00 C ATOM 0 H ILE A 584 64.644 -3.942 -2.851 1.00 0.00 H new ATOM 0 HA ILE A 584 67.022 -2.655 -1.691 1.00 0.00 H new ATOM 0 HB ILE A 584 66.637 -3.744 -4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 584 67.678 -5.197 -2.032 1.00 0.00 H new ATOM 0 HG13 ILE A 584 66.139 -5.516 -2.808 1.00 0.00 H new ATOM 0 HG21 ILE A 584 69.119 -3.895 -4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 584 68.572 -2.228 -4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 584 69.085 -3.252 -2.745 1.00 0.00 H new ATOM 0 HD11 ILE A 584 67.853 -7.144 -3.559 1.00 0.00 H new ATOM 0 HD12 ILE A 584 67.318 -6.132 -4.922 1.00 0.00 H new ATOM 0 HD13 ILE A 584 68.880 -5.808 -4.133 1.00 0.00 H new ATOM 1021 N ILE A 585 64.985 -1.347 -3.906 1.00 0.00 N ATOM 1022 CA ILE A 585 64.682 -0.149 -4.692 1.00 0.00 C ATOM 1023 C ILE A 585 63.306 0.404 -4.314 1.00 0.00 C ATOM 1024 O ILE A 585 62.367 -0.355 -4.082 1.00 0.00 O ATOM 1025 CB ILE A 585 64.712 -0.489 -6.190 1.00 0.00 C ATOM 1026 CG1 ILE A 585 66.067 -1.113 -6.551 1.00 0.00 C ATOM 1027 CG2 ILE A 585 64.510 0.788 -7.018 1.00 0.00 C ATOM 1028 CD1 ILE A 585 66.013 -1.676 -7.974 1.00 0.00 C ATOM 0 H ILE A 585 64.248 -2.052 -3.906 1.00 0.00 H new ATOM 0 HA ILE A 585 65.435 0.610 -4.478 1.00 0.00 H new ATOM 0 HB ILE A 585 63.912 -1.196 -6.409 1.00 0.00 H new ATOM 0 HG12 ILE A 585 66.855 -0.364 -6.476 1.00 0.00 H new ATOM 0 HG13 ILE A 585 66.313 -1.906 -5.845 1.00 0.00 H new ATOM 0 HG21 ILE A 585 64.532 0.541 -8.079 1.00 0.00 H new ATOM 0 HG22 ILE A 585 63.547 1.234 -6.769 1.00 0.00 H new ATOM 0 HG23 ILE A 585 65.307 1.497 -6.794 1.00 0.00 H new ATOM 0 HD11 ILE A 585 66.977 -2.118 -8.227 1.00 0.00 H new ATOM 0 HD12 ILE A 585 65.237 -2.439 -8.034 1.00 0.00 H new ATOM 0 HD13 ILE A 585 65.787 -0.872 -8.675 1.00 0.00 H new ATOM 1040 N ARG A 586 63.195 1.738 -4.295 1.00 0.00 N ATOM 1041 CA ARG A 586 61.921 2.416 -4.039 1.00 0.00 C ATOM 1042 C ARG A 586 61.380 2.099 -2.639 1.00 0.00 C ATOM 1043 O ARG A 586 61.516 2.910 -1.722 1.00 0.00 O ATOM 1044 CB ARG A 586 60.895 2.025 -5.113 1.00 0.00 C ATOM 1045 CG ARG A 586 60.980 3.002 -6.289 1.00 0.00 C ATOM 1046 CD ARG A 586 59.914 2.649 -7.327 1.00 0.00 C ATOM 1047 NE ARG A 586 60.278 1.420 -8.034 1.00 0.00 N ATOM 1048 CZ ARG A 586 59.692 1.051 -9.182 1.00 0.00 C ATOM 1049 NH1 ARG A 586 58.744 1.777 -9.729 1.00 0.00 N ATOM 1050 NH2 ARG A 586 60.070 -0.051 -9.768 1.00 0.00 N ATOM 0 H ARG A 586 63.978 2.371 -4.455 1.00 0.00 H new ATOM 0 HA ARG A 586 62.097 3.491 -4.084 1.00 0.00 H new ATOM 0 HB2 ARG A 586 61.085 1.009 -5.458 1.00 0.00 H new ATOM 0 HB3 ARG A 586 59.890 2.036 -4.691 1.00 0.00 H new ATOM 0 HG2 ARG A 586 60.835 4.024 -5.937 1.00 0.00 H new ATOM 0 HG3 ARG A 586 61.971 2.958 -6.741 1.00 0.00 H new ATOM 0 HD2 ARG A 586 58.948 2.522 -6.837 1.00 0.00 H new ATOM 0 HD3 ARG A 586 59.805 3.467 -8.039 1.00 0.00 H new ATOM 0 HE ARG A 586 61.004 0.822 -7.639 1.00 0.00 H new ATOM 0 HH11 ARG A 586 58.440 2.641 -9.280 1.00 0.00 H new ATOM 0 HH12 ARG A 586 58.312 1.477 -10.603 1.00 0.00 H new ATOM 0 HH21 ARG A 586 60.805 -0.623 -9.353 1.00 0.00 H new ATOM 0 HH22 ARG A 586 59.631 -0.341 -10.642 1.00 0.00 H new ATOM 1064 N THR A 587 60.770 0.921 -2.480 1.00 0.00 N ATOM 1065 CA THR A 587 60.137 0.555 -1.209 1.00 0.00 C ATOM 1066 C THR A 587 61.159 0.539 -0.074 1.00 0.00 C ATOM 1067 O THR A 587 60.888 1.031 1.023 1.00 0.00 O ATOM 1068 CB THR A 587 59.484 -0.826 -1.327 1.00 0.00 C ATOM 1069 OG1 THR A 587 60.480 -1.793 -1.635 1.00 0.00 O ATOM 1070 CG2 THR A 587 58.430 -0.805 -2.436 1.00 0.00 C ATOM 0 H THR A 587 60.701 0.210 -3.208 1.00 0.00 H new ATOM 0 HA THR A 587 59.376 1.302 -0.983 1.00 0.00 H new ATOM 0 HB THR A 587 59.005 -1.083 -0.382 1.00 0.00 H new ATOM 0 HG1 THR A 587 60.055 -2.590 -2.015 1.00 0.00 H new ATOM 0 HG21 THR A 587 57.968 -1.789 -2.517 1.00 0.00 H new ATOM 0 HG22 THR A 587 57.667 -0.064 -2.199 1.00 0.00 H new ATOM 0 HG23 THR A 587 58.904 -0.547 -3.383 1.00 0.00 H new ATOM 1078 N GLY A 588 62.332 -0.029 -0.348 1.00 0.00 N ATOM 1079 CA GLY A 588 63.409 -0.058 0.636 1.00 0.00 C ATOM 1080 C GLY A 588 64.242 1.218 0.573 1.00 0.00 C ATOM 1081 O GLY A 588 64.718 1.603 -0.496 1.00 0.00 O ATOM 0 H GLY A 588 62.559 -0.473 -1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 588 62.990 -0.174 1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 588 64.048 -0.923 0.456 1.00 0.00 H new ATOM 1085 N ARG A 589 64.411 1.868 1.723 1.00 0.00 N ATOM 1086 CA ARG A 589 65.197 3.097 1.793 1.00 0.00 C ATOM 1087 C ARG A 589 65.860 3.229 3.160 1.00 0.00 C ATOM 1088 O ARG A 589 65.323 2.686 4.112 1.00 0.00 O ATOM 1089 CB ARG A 589 64.301 4.310 1.539 1.00 0.00 C ATOM 1090 CG ARG A 589 63.753 4.255 0.111 1.00 0.00 C ATOM 1091 CD ARG A 589 63.002 5.551 -0.197 1.00 0.00 C ATOM 1092 NE ARG A 589 62.295 5.441 -1.476 1.00 0.00 N ATOM 1093 CZ ARG A 589 61.598 6.460 -2.000 1.00 0.00 C ATOM 1094 NH1 ARG A 589 61.512 7.616 -1.385 1.00 0.00 N ATOM 1095 NH2 ARG A 589 60.993 6.297 -3.145 1.00 0.00 N ATOM 1096 OXT ARG A 589 66.894 3.873 3.235 1.00 0.00 O ATOM 0 H ARG A 589 64.017 1.566 2.614 1.00 0.00 H new ATOM 0 HA ARG A 589 65.971 3.054 1.027 1.00 0.00 H new ATOM 0 HB2 ARG A 589 63.479 4.323 2.254 1.00 0.00 H new ATOM 0 HB3 ARG A 589 64.867 5.230 1.687 1.00 0.00 H new ATOM 0 HG2 ARG A 589 64.569 4.118 -0.598 1.00 0.00 H new ATOM 0 HG3 ARG A 589 63.086 3.400 -0.001 1.00 0.00 H new ATOM 0 HD2 ARG A 589 62.291 5.765 0.601 1.00 0.00 H new ATOM 0 HD3 ARG A 589 63.703 6.385 -0.232 1.00 0.00 H new ATOM 0 HE ARG A 589 62.334 4.558 -1.986 1.00 0.00 H new ATOM 0 HH11 ARG A 589 61.981 7.753 -0.490 1.00 0.00 H new ATOM 0 HH12 ARG A 589 60.976 8.377 -1.802 1.00 0.00 H new ATOM 0 HH21 ARG A 589 61.053 5.402 -3.631 1.00 0.00 H new ATOM 0 HH22 ARG A 589 60.460 7.064 -3.554 1.00 0.00 H new TER 1110 ARG A 589