USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 562 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot -29:sc= 0.692 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.83 K(o=-1.8,f=-3.1!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -64:sc= 0.548 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 83:sc= 1.21 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.572 -14.542 23.826 1.00 0.00 N ATOM 2 CA MET A 1 -3.833 -13.877 24.106 1.00 0.00 C ATOM 3 C MET A 1 -5.012 -14.832 23.908 1.00 0.00 C ATOM 4 O MET A 1 -5.793 -15.060 24.831 1.00 0.00 O ATOM 5 CB MET A 1 -3.992 -12.670 23.179 1.00 0.00 C ATOM 6 CG MET A 1 -4.061 -11.369 23.980 1.00 0.00 C ATOM 7 SD MET A 1 -5.163 -10.216 23.178 1.00 0.00 S ATOM 8 CE MET A 1 -6.701 -10.654 23.971 1.00 0.00 C ATOM 0 H1 MET A 1 -1.788 -13.873 23.967 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.457 -15.352 24.468 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.568 -14.877 22.842 1.00 0.00 H new ATOM 0 HA MET A 1 -3.826 -13.549 25.145 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.154 -12.629 22.483 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.897 -12.782 22.582 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.409 -11.574 24.992 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.066 -10.933 24.067 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.502 -10.025 23.583 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.930 -11.700 23.768 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.611 -10.505 25.047 1.00 0.00 H new ATOM 18 N SER A 2 -5.105 -15.364 22.698 1.00 0.00 N ATOM 19 CA SER A 2 -6.175 -16.289 22.367 1.00 0.00 C ATOM 20 C SER A 2 -6.015 -16.781 20.927 1.00 0.00 C ATOM 21 O SER A 2 -5.057 -16.419 20.247 1.00 0.00 O ATOM 22 CB SER A 2 -7.546 -15.635 22.556 1.00 0.00 C ATOM 23 OG SER A 2 -8.476 -16.517 23.180 1.00 0.00 O ATOM 0 H SER A 2 -4.456 -15.172 21.935 1.00 0.00 H new ATOM 0 HA SER A 2 -6.112 -17.141 23.044 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.438 -14.735 23.161 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.936 -15.323 21.587 1.00 0.00 H new ATOM 0 HG SER A 2 -9.338 -16.063 23.285 1.00 0.00 H new ATOM 29 N LEU A 3 -6.969 -17.598 20.506 1.00 0.00 N ATOM 30 CA LEU A 3 -6.946 -18.143 19.159 1.00 0.00 C ATOM 31 C LEU A 3 -7.882 -17.326 18.267 1.00 0.00 C ATOM 32 O LEU A 3 -7.596 -17.116 17.089 1.00 0.00 O ATOM 33 CB LEU A 3 -7.268 -19.639 19.181 1.00 0.00 C ATOM 34 CG LEU A 3 -6.238 -20.537 19.868 1.00 0.00 C ATOM 35 CD1 LEU A 3 -6.366 -20.453 21.390 1.00 0.00 C ATOM 36 CD2 LEU A 3 -6.342 -21.978 19.363 1.00 0.00 C ATOM 0 H LEU A 3 -7.763 -17.896 21.073 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.946 -18.062 18.732 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.229 -19.776 19.677 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.389 -19.979 18.153 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.243 -20.176 19.608 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.622 -21.101 21.854 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.203 -19.425 21.713 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.364 -20.774 21.689 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.599 -22.595 19.868 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.339 -22.366 19.573 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.163 -22.001 18.288 1.00 0.00 H new ATOM 48 N GLY A 4 -8.981 -16.887 18.862 1.00 0.00 N ATOM 49 CA GLY A 4 -9.961 -16.097 18.135 1.00 0.00 C ATOM 50 C GLY A 4 -9.382 -14.737 17.737 1.00 0.00 C ATOM 51 O GLY A 4 -9.462 -14.341 16.575 1.00 0.00 O ATOM 0 H GLY A 4 -9.215 -17.063 19.839 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.279 -16.636 17.243 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.847 -15.952 18.753 1.00 0.00 H new ATOM 55 N VAL A 5 -8.813 -14.060 18.723 1.00 0.00 N ATOM 56 CA VAL A 5 -8.221 -12.754 18.491 1.00 0.00 C ATOM 57 C VAL A 5 -7.090 -12.886 17.469 1.00 0.00 C ATOM 58 O VAL A 5 -6.768 -11.928 16.767 1.00 0.00 O ATOM 59 CB VAL A 5 -7.762 -12.144 19.816 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.393 -12.690 20.226 1.00 0.00 C ATOM 61 CG2 VAL A 5 -7.742 -10.616 19.739 1.00 0.00 C ATOM 0 H VAL A 5 -8.749 -14.392 19.685 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.959 -12.069 18.073 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.481 -12.431 20.583 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.090 -12.240 21.171 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.453 -13.772 20.342 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.659 -12.447 19.457 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.412 -10.208 20.694 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.056 -10.300 18.953 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.744 -10.250 19.515 1.00 0.00 H new ATOM 71 N LEU A 6 -6.518 -14.079 17.418 1.00 0.00 N ATOM 72 CA LEU A 6 -5.429 -14.349 16.494 1.00 0.00 C ATOM 73 C LEU A 6 -5.943 -14.228 15.058 1.00 0.00 C ATOM 74 O LEU A 6 -5.361 -13.511 14.245 1.00 0.00 O ATOM 75 CB LEU A 6 -4.785 -15.702 16.805 1.00 0.00 C ATOM 76 CG LEU A 6 -3.526 -16.044 16.007 1.00 0.00 C ATOM 77 CD1 LEU A 6 -3.010 -17.438 16.368 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.771 -15.894 14.504 1.00 0.00 C ATOM 0 H LEU A 6 -6.788 -14.871 18.002 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.636 -13.610 16.613 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.537 -15.729 17.866 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.525 -16.483 16.631 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.746 -15.332 16.278 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.114 -17.656 15.786 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.770 -17.473 17.431 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.777 -18.179 16.144 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.860 -16.143 13.960 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.572 -16.566 14.197 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.056 -14.865 14.283 1.00 0.00 H new ATOM 90 N ALA A 7 -7.029 -14.938 14.790 1.00 0.00 N ATOM 91 CA ALA A 7 -7.628 -14.919 13.466 1.00 0.00 C ATOM 92 C ALA A 7 -7.981 -13.478 13.092 1.00 0.00 C ATOM 93 O ALA A 7 -7.943 -13.111 11.919 1.00 0.00 O ATOM 94 CB ALA A 7 -8.846 -15.844 13.444 1.00 0.00 C ATOM 0 H ALA A 7 -7.510 -15.530 15.467 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.925 -15.290 12.720 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.296 -15.830 12.451 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.536 -16.860 13.688 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.576 -15.502 14.178 1.00 0.00 H new ATOM 100 N ALA A 8 -8.318 -12.702 14.112 1.00 0.00 N ATOM 101 CA ALA A 8 -8.679 -11.310 13.904 1.00 0.00 C ATOM 102 C ALA A 8 -7.442 -10.528 13.457 1.00 0.00 C ATOM 103 O ALA A 8 -7.552 -9.567 12.696 1.00 0.00 O ATOM 104 CB ALA A 8 -9.293 -10.745 15.187 1.00 0.00 C ATOM 0 H ALA A 8 -8.349 -13.011 15.084 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.428 -11.221 13.117 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.564 -9.701 15.031 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.184 -11.316 15.446 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.569 -10.815 15.998 1.00 0.00 H new ATOM 110 N ALA A 9 -6.293 -10.969 13.947 1.00 0.00 N ATOM 111 CA ALA A 9 -5.037 -10.323 13.607 1.00 0.00 C ATOM 112 C ALA A 9 -4.687 -10.632 12.150 1.00 0.00 C ATOM 113 O ALA A 9 -4.035 -9.833 11.481 1.00 0.00 O ATOM 114 CB ALA A 9 -3.947 -10.782 14.578 1.00 0.00 C ATOM 0 H ALA A 9 -6.206 -11.766 14.577 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.124 -9.241 13.703 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.005 -10.297 14.323 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.230 -10.513 15.596 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.829 -11.863 14.508 1.00 0.00 H new ATOM 120 N ILE A 10 -5.138 -11.795 11.701 1.00 0.00 N ATOM 121 CA ILE A 10 -4.881 -12.220 10.335 1.00 0.00 C ATOM 122 C ILE A 10 -5.849 -11.503 9.392 1.00 0.00 C ATOM 123 O ILE A 10 -5.426 -10.878 8.421 1.00 0.00 O ATOM 124 CB ILE A 10 -4.935 -13.745 10.229 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.551 -14.359 10.449 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.550 -14.181 8.898 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.565 -15.335 11.628 1.00 0.00 C ATOM 0 H ILE A 10 -5.679 -12.456 12.259 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.873 -11.938 10.032 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.583 -14.119 11.021 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.232 -14.879 9.546 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.824 -13.569 10.635 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.576 -15.270 8.849 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.564 -13.790 8.820 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.948 -13.795 8.075 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.569 -15.757 11.763 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.861 -14.807 12.534 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.275 -16.137 11.428 1.00 0.00 H new ATOM 139 N ALA A 11 -7.130 -11.618 9.711 1.00 0.00 N ATOM 140 CA ALA A 11 -8.161 -10.989 8.904 1.00 0.00 C ATOM 141 C ALA A 11 -7.867 -9.493 8.783 1.00 0.00 C ATOM 142 O ALA A 11 -8.309 -8.844 7.837 1.00 0.00 O ATOM 143 CB ALA A 11 -9.533 -11.265 9.523 1.00 0.00 C ATOM 0 H ALA A 11 -7.477 -12.137 10.517 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.167 -11.406 7.897 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.307 -10.793 8.918 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.706 -12.341 9.559 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.565 -10.858 10.534 1.00 0.00 H new ATOM 149 N VAL A 12 -7.121 -8.989 9.755 1.00 0.00 N ATOM 150 CA VAL A 12 -6.762 -7.581 9.769 1.00 0.00 C ATOM 151 C VAL A 12 -5.644 -7.333 8.754 1.00 0.00 C ATOM 152 O VAL A 12 -5.768 -6.469 7.888 1.00 0.00 O ATOM 153 CB VAL A 12 -6.386 -7.151 11.189 1.00 0.00 C ATOM 154 CG1 VAL A 12 -5.247 -6.129 11.169 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.603 -6.601 11.936 1.00 0.00 C ATOM 0 H VAL A 12 -6.755 -9.530 10.538 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.613 -6.968 9.472 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.035 -8.033 11.724 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.999 -5.840 12.190 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.371 -6.570 10.694 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.559 -5.248 10.608 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.308 -6.303 12.942 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.997 -5.736 11.402 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.372 -7.372 11.997 1.00 0.00 H new ATOM 165 N GLY A 13 -4.579 -8.108 8.895 1.00 0.00 N ATOM 166 CA GLY A 13 -3.440 -7.984 8.000 1.00 0.00 C ATOM 167 C GLY A 13 -3.880 -8.073 6.537 1.00 0.00 C ATOM 168 O GLY A 13 -3.367 -7.348 5.686 1.00 0.00 O ATOM 0 H GLY A 13 -4.480 -8.824 9.615 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.937 -7.033 8.175 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.717 -8.771 8.215 1.00 0.00 H new ATOM 172 N LEU A 14 -4.825 -8.967 6.290 1.00 0.00 N ATOM 173 CA LEU A 14 -5.339 -9.160 4.945 1.00 0.00 C ATOM 174 C LEU A 14 -6.248 -7.985 4.578 1.00 0.00 C ATOM 175 O LEU A 14 -6.346 -7.613 3.409 1.00 0.00 O ATOM 176 CB LEU A 14 -6.020 -10.525 4.822 1.00 0.00 C ATOM 177 CG LEU A 14 -5.250 -11.713 5.403 1.00 0.00 C ATOM 178 CD1 LEU A 14 -6.209 -12.763 5.968 1.00 0.00 C ATOM 179 CD2 LEU A 14 -4.294 -12.307 4.367 1.00 0.00 C ATOM 0 H LEU A 14 -5.249 -9.566 6.999 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.522 -9.170 4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.991 -10.470 5.315 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.209 -10.721 3.767 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.641 -11.353 6.232 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.637 -13.597 6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.812 -12.317 6.759 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.862 -13.124 5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.760 -13.149 4.806 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.862 -12.649 3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.578 -11.547 4.054 1.00 0.00 H new ATOM 191 N GLY A 15 -6.889 -7.433 5.597 1.00 0.00 N ATOM 192 CA GLY A 15 -7.786 -6.308 5.396 1.00 0.00 C ATOM 193 C GLY A 15 -7.009 -5.052 4.995 1.00 0.00 C ATOM 194 O GLY A 15 -7.347 -4.396 4.012 1.00 0.00 O ATOM 0 H GLY A 15 -6.805 -7.744 6.565 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.514 -6.552 4.622 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.346 -6.117 6.311 1.00 0.00 H new ATOM 198 N ALA A 16 -5.982 -4.756 5.778 1.00 0.00 N ATOM 199 CA ALA A 16 -5.154 -3.590 5.517 1.00 0.00 C ATOM 200 C ALA A 16 -4.292 -3.849 4.280 1.00 0.00 C ATOM 201 O ALA A 16 -3.751 -2.915 3.689 1.00 0.00 O ATOM 202 CB ALA A 16 -4.315 -3.272 6.756 1.00 0.00 C ATOM 0 H ALA A 16 -5.704 -5.303 6.593 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.774 -2.717 5.310 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.694 -2.398 6.560 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.975 -3.067 7.599 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.678 -4.124 6.992 1.00 0.00 H new ATOM 208 N LEU A 17 -4.191 -5.121 3.924 1.00 0.00 N ATOM 209 CA LEU A 17 -3.404 -5.515 2.768 1.00 0.00 C ATOM 210 C LEU A 17 -4.050 -4.950 1.501 1.00 0.00 C ATOM 211 O LEU A 17 -3.425 -4.183 0.771 1.00 0.00 O ATOM 212 CB LEU A 17 -3.216 -7.033 2.739 1.00 0.00 C ATOM 213 CG LEU A 17 -2.860 -7.639 1.380 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.591 -8.489 1.474 1.00 0.00 C ATOM 215 CD2 LEU A 17 -4.038 -8.428 0.805 1.00 0.00 C ATOM 0 H LEU A 17 -4.641 -5.893 4.416 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.400 -5.095 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.431 -7.296 3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.135 -7.500 3.093 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.651 -6.824 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.360 -8.908 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.760 -7.867 1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.747 -9.298 2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.758 -8.848 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.304 -9.235 1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.893 -7.764 0.678 1.00 0.00 H new ATOM 227 N GLY A 18 -5.292 -5.352 1.279 1.00 0.00 N ATOM 228 CA GLY A 18 -6.029 -4.896 0.113 1.00 0.00 C ATOM 229 C GLY A 18 -6.577 -3.484 0.328 1.00 0.00 C ATOM 230 O GLY A 18 -6.631 -2.686 -0.607 1.00 0.00 O ATOM 0 H GLY A 18 -5.807 -5.989 1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.378 -4.908 -0.761 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.851 -5.581 -0.093 1.00 0.00 H new ATOM 234 N ALA A 19 -6.968 -3.217 1.566 1.00 0.00 N ATOM 235 CA ALA A 19 -7.509 -1.915 1.915 1.00 0.00 C ATOM 236 C ALA A 19 -6.408 -0.860 1.792 1.00 0.00 C ATOM 237 O ALA A 19 -6.689 0.309 1.533 1.00 0.00 O ATOM 238 CB ALA A 19 -8.108 -1.972 3.322 1.00 0.00 C ATOM 0 H ALA A 19 -6.921 -3.881 2.339 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.310 -1.636 1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.514 -0.995 3.584 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.905 -2.715 3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.332 -2.246 4.037 1.00 0.00 H new ATOM 244 N GLY A 20 -5.177 -1.311 1.985 1.00 0.00 N ATOM 245 CA GLY A 20 -4.032 -0.421 1.898 1.00 0.00 C ATOM 246 C GLY A 20 -3.728 -0.058 0.443 1.00 0.00 C ATOM 247 O GLY A 20 -3.574 1.117 0.112 1.00 0.00 O ATOM 0 H GLY A 20 -4.948 -2.281 2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.228 0.486 2.469 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.161 -0.898 2.347 1.00 0.00 H new ATOM 251 N ILE A 21 -3.651 -1.088 -0.386 1.00 0.00 N ATOM 252 CA ILE A 21 -3.368 -0.892 -1.798 1.00 0.00 C ATOM 253 C ILE A 21 -4.335 0.148 -2.368 1.00 0.00 C ATOM 254 O ILE A 21 -3.972 0.916 -3.258 1.00 0.00 O ATOM 255 CB ILE A 21 -3.396 -2.230 -2.540 1.00 0.00 C ATOM 256 CG1 ILE A 21 -2.373 -2.246 -3.678 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.808 -2.554 -3.033 1.00 0.00 C ATOM 258 CD1 ILE A 21 -0.971 -2.556 -3.151 1.00 0.00 C ATOM 0 H ILE A 21 -3.780 -2.061 -0.108 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.360 -0.499 -1.934 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.112 -3.016 -1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.660 -2.992 -4.419 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.370 -1.280 -4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.800 -3.510 -3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.486 -2.612 -2.182 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.145 -1.771 -3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.264 -2.561 -3.980 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.677 -1.795 -2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.972 -3.533 -2.668 1.00 0.00 H new ATOM 270 N GLY A 22 -5.547 0.139 -1.832 1.00 0.00 N ATOM 271 CA GLY A 22 -6.568 1.072 -2.276 1.00 0.00 C ATOM 272 C GLY A 22 -6.284 2.484 -1.759 1.00 0.00 C ATOM 273 O GLY A 22 -6.511 3.465 -2.465 1.00 0.00 O ATOM 0 H GLY A 22 -5.844 -0.500 -1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.608 1.081 -3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.545 0.742 -1.924 1.00 0.00 H new ATOM 277 N ASN A 23 -5.789 2.541 -0.531 1.00 0.00 N ATOM 278 CA ASN A 23 -5.471 3.816 0.089 1.00 0.00 C ATOM 279 C ASN A 23 -4.376 4.513 -0.721 1.00 0.00 C ATOM 280 O ASN A 23 -4.521 5.676 -1.096 1.00 0.00 O ATOM 281 CB ASN A 23 -4.953 3.622 1.515 1.00 0.00 C ATOM 282 CG ASN A 23 -5.749 4.470 2.508 1.00 0.00 C ATOM 283 OD1 ASN A 23 -6.736 4.039 3.082 1.00 0.00 O ATOM 284 ND2 ASN A 23 -5.267 5.698 2.679 1.00 0.00 N ATOM 0 H ASN A 23 -5.600 1.725 0.051 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.382 4.414 0.115 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.024 2.570 1.791 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.899 3.894 1.563 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.728 6.342 3.322 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.436 5.996 2.167 1.00 0.00 H new ATOM 291 N GLY A 24 -3.305 3.773 -0.967 1.00 0.00 N ATOM 292 CA GLY A 24 -2.186 4.305 -1.726 1.00 0.00 C ATOM 293 C GLY A 24 -2.585 4.570 -3.179 1.00 0.00 C ATOM 294 O GLY A 24 -1.997 5.423 -3.842 1.00 0.00 O ATOM 0 H GLY A 24 -3.188 2.809 -0.654 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.837 5.230 -1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.354 3.601 -1.696 1.00 0.00 H new ATOM 298 N LEU A 25 -3.583 3.825 -3.631 1.00 0.00 N ATOM 299 CA LEU A 25 -4.068 3.969 -4.993 1.00 0.00 C ATOM 300 C LEU A 25 -4.683 5.359 -5.166 1.00 0.00 C ATOM 301 O LEU A 25 -4.488 6.004 -6.195 1.00 0.00 O ATOM 302 CB LEU A 25 -5.021 2.826 -5.346 1.00 0.00 C ATOM 303 CG LEU A 25 -4.376 1.574 -5.943 1.00 0.00 C ATOM 304 CD1 LEU A 25 -5.294 0.360 -5.796 1.00 0.00 C ATOM 305 CD2 LEU A 25 -3.966 1.809 -7.399 1.00 0.00 C ATOM 0 H LEU A 25 -4.069 3.119 -3.078 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.243 3.895 -5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.560 2.537 -4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.761 3.202 -6.053 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.466 1.359 -5.382 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.811 -0.516 -6.229 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.493 0.180 -4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.234 0.549 -6.315 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.510 0.903 -7.799 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.847 2.063 -7.989 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.249 2.628 -7.447 1.00 0.00 H new ATOM 317 N ILE A 26 -5.413 5.779 -4.144 1.00 0.00 N ATOM 318 CA ILE A 26 -6.059 7.081 -4.170 1.00 0.00 C ATOM 319 C ILE A 26 -4.991 8.176 -4.110 1.00 0.00 C ATOM 320 O ILE A 26 -5.147 9.233 -4.718 1.00 0.00 O ATOM 321 CB ILE A 26 -7.106 7.182 -3.059 1.00 0.00 C ATOM 322 CG1 ILE A 26 -8.208 6.137 -3.247 1.00 0.00 C ATOM 323 CG2 ILE A 26 -7.672 8.601 -2.967 1.00 0.00 C ATOM 324 CD1 ILE A 26 -8.757 6.171 -4.675 1.00 0.00 C ATOM 0 H ILE A 26 -5.572 5.241 -3.292 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.605 7.217 -5.104 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.617 6.967 -2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.814 5.144 -3.028 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.015 6.323 -2.539 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.414 8.646 -2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.865 9.301 -2.751 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.141 8.868 -3.914 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.539 5.419 -4.782 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.172 7.158 -4.882 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.952 5.961 -5.379 1.00 0.00 H new ATOM 336 N VAL A 27 -3.931 7.884 -3.372 1.00 0.00 N ATOM 337 CA VAL A 27 -2.838 8.830 -3.225 1.00 0.00 C ATOM 338 C VAL A 27 -2.113 8.978 -4.564 1.00 0.00 C ATOM 339 O VAL A 27 -1.861 10.093 -5.018 1.00 0.00 O ATOM 340 CB VAL A 27 -1.912 8.388 -2.090 1.00 0.00 C ATOM 341 CG1 VAL A 27 -0.773 9.390 -1.890 1.00 0.00 C ATOM 342 CG2 VAL A 27 -2.695 8.183 -0.792 1.00 0.00 C ATOM 0 H VAL A 27 -3.805 7.006 -2.869 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.219 9.814 -2.951 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.472 7.431 -2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.130 9.052 -1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.189 9.465 -2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.187 10.367 -1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.013 7.869 -0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.176 9.118 -0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.454 7.415 -0.942 1.00 0.00 H new ATOM 352 N SER A 28 -1.799 7.837 -5.159 1.00 0.00 N ATOM 353 CA SER A 28 -1.108 7.825 -6.438 1.00 0.00 C ATOM 354 C SER A 28 -1.998 8.440 -7.519 1.00 0.00 C ATOM 355 O SER A 28 -1.500 9.008 -8.490 1.00 0.00 O ATOM 356 CB SER A 28 -0.700 6.404 -6.831 1.00 0.00 C ATOM 357 OG SER A 28 -1.824 5.609 -7.200 1.00 0.00 O ATOM 0 H SER A 28 -2.010 6.914 -4.780 1.00 0.00 H new ATOM 0 HA SER A 28 -0.200 8.420 -6.342 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.003 6.446 -7.663 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.180 5.932 -5.997 1.00 0.00 H new ATOM 0 HG SER A 28 -2.618 5.921 -6.717 1.00 0.00 H new ATOM 363 N ARG A 29 -3.301 8.305 -7.316 1.00 0.00 N ATOM 364 CA ARG A 29 -4.265 8.840 -8.262 1.00 0.00 C ATOM 365 C ARG A 29 -4.194 10.369 -8.285 1.00 0.00 C ATOM 366 O ARG A 29 -4.220 10.979 -9.353 1.00 0.00 O ATOM 367 CB ARG A 29 -5.688 8.409 -7.901 1.00 0.00 C ATOM 368 CG ARG A 29 -6.580 8.369 -9.144 1.00 0.00 C ATOM 369 CD ARG A 29 -6.264 7.146 -10.007 1.00 0.00 C ATOM 370 NE ARG A 29 -7.519 6.489 -10.435 1.00 0.00 N ATOM 371 CZ ARG A 29 -8.416 7.048 -11.258 1.00 0.00 C ATOM 372 NH1 ARG A 29 -8.202 8.276 -11.748 1.00 0.00 N ATOM 373 NH2 ARG A 29 -9.528 6.378 -11.592 1.00 0.00 N ATOM 0 H ARG A 29 -3.711 7.833 -6.510 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.016 8.446 -9.247 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.666 7.425 -7.433 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.107 9.101 -7.170 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.628 8.346 -8.844 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.436 9.278 -9.728 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.686 7.447 -10.880 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.650 6.443 -9.445 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.713 5.552 -10.081 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.356 8.786 -11.495 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.885 8.701 -12.375 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.691 5.443 -11.219 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.211 6.804 -12.219 1.00 0.00 H new ATOM 387 N THR A 30 -4.106 10.943 -7.094 1.00 0.00 N ATOM 388 CA THR A 30 -4.031 12.389 -6.965 1.00 0.00 C ATOM 389 C THR A 30 -2.617 12.880 -7.282 1.00 0.00 C ATOM 390 O THR A 30 -2.437 14.002 -7.752 1.00 0.00 O ATOM 391 CB THR A 30 -4.502 12.762 -5.558 1.00 0.00 C ATOM 392 OG1 THR A 30 -4.916 14.120 -5.680 1.00 0.00 O ATOM 393 CG2 THR A 30 -3.352 12.812 -4.549 1.00 0.00 C ATOM 0 H THR A 30 -4.085 10.434 -6.210 1.00 0.00 H new ATOM 0 HA THR A 30 -4.682 12.885 -7.685 1.00 0.00 H new ATOM 0 HB THR A 30 -5.248 12.042 -5.222 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.238 14.443 -4.813 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.741 13.081 -3.567 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.873 11.834 -4.494 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.622 13.556 -4.866 1.00 0.00 H new ATOM 401 N ILE A 31 -1.650 12.015 -7.013 1.00 0.00 N ATOM 402 CA ILE A 31 -0.258 12.347 -7.264 1.00 0.00 C ATOM 403 C ILE A 31 -0.017 12.408 -8.774 1.00 0.00 C ATOM 404 O ILE A 31 0.696 13.286 -9.257 1.00 0.00 O ATOM 405 CB ILE A 31 0.666 11.371 -6.533 1.00 0.00 C ATOM 406 CG1 ILE A 31 1.706 12.121 -5.698 1.00 0.00 C ATOM 407 CG2 ILE A 31 1.316 10.392 -7.513 1.00 0.00 C ATOM 408 CD1 ILE A 31 1.373 12.042 -4.207 1.00 0.00 C ATOM 0 H ILE A 31 -1.803 11.085 -6.624 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.023 13.333 -6.863 1.00 0.00 H new ATOM 0 HB ILE A 31 0.062 10.782 -5.842 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.695 11.698 -5.876 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.745 13.164 -6.011 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.968 9.710 -6.967 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.541 9.822 -8.025 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.903 10.946 -8.245 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.128 12.583 -3.636 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.395 12.488 -4.029 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.359 10.999 -3.892 1.00 0.00 H new ATOM 420 N GLU A 32 -0.625 11.464 -9.477 1.00 0.00 N ATOM 421 CA GLU A 32 -0.486 11.399 -10.921 1.00 0.00 C ATOM 422 C GLU A 32 -1.210 12.576 -11.578 1.00 0.00 C ATOM 423 O GLU A 32 -0.747 13.113 -12.583 1.00 0.00 O ATOM 424 CB GLU A 32 -1.004 10.065 -11.463 1.00 0.00 C ATOM 425 CG GLU A 32 0.097 9.003 -11.448 1.00 0.00 C ATOM 426 CD GLU A 32 -0.110 7.982 -12.569 1.00 0.00 C ATOM 427 OE1 GLU A 32 -1.248 7.475 -12.671 1.00 0.00 O ATOM 428 OE2 GLU A 32 0.874 7.733 -13.298 1.00 0.00 O ATOM 0 H GLU A 32 -1.216 10.737 -9.073 1.00 0.00 H new ATOM 0 HA GLU A 32 0.574 11.466 -11.167 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.848 9.727 -10.862 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.371 10.200 -12.481 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.070 9.481 -11.562 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.103 8.494 -10.484 1.00 0.00 H new ATOM 435 N GLY A 33 -2.336 12.942 -10.983 1.00 0.00 N ATOM 436 CA GLY A 33 -3.130 14.046 -11.497 1.00 0.00 C ATOM 437 C GLY A 33 -2.294 15.324 -11.593 1.00 0.00 C ATOM 438 O GLY A 33 -2.305 16.001 -12.620 1.00 0.00 O ATOM 0 H GLY A 33 -2.718 12.494 -10.150 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.523 13.789 -12.481 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.988 14.216 -10.846 1.00 0.00 H new ATOM 442 N ILE A 34 -1.590 15.615 -10.509 1.00 0.00 N ATOM 443 CA ILE A 34 -0.751 16.800 -10.458 1.00 0.00 C ATOM 444 C ILE A 34 0.382 16.662 -11.477 1.00 0.00 C ATOM 445 O ILE A 34 0.868 17.659 -12.009 1.00 0.00 O ATOM 446 CB ILE A 34 -0.265 17.051 -9.029 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.976 16.213 -8.716 1.00 0.00 C ATOM 448 CG2 ILE A 34 -1.388 16.812 -8.018 1.00 0.00 C ATOM 449 CD1 ILE A 34 2.234 17.083 -8.696 1.00 0.00 C ATOM 0 H ILE A 34 -1.583 15.051 -9.659 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.324 17.685 -10.736 1.00 0.00 H new ATOM 0 HB ILE A 34 0.025 18.098 -8.946 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.854 15.722 -7.751 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.086 15.426 -9.462 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.016 16.997 -7.010 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.217 17.488 -8.229 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.732 15.781 -8.094 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.102 16.463 -8.471 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.367 17.553 -9.670 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.131 17.854 -7.932 1.00 0.00 H new ATOM 461 N ALA A 35 0.769 15.418 -11.719 1.00 0.00 N ATOM 462 CA ALA A 35 1.835 15.136 -12.665 1.00 0.00 C ATOM 463 C ALA A 35 1.373 15.512 -14.074 1.00 0.00 C ATOM 464 O ALA A 35 2.193 15.684 -14.975 1.00 0.00 O ATOM 465 CB ALA A 35 2.239 13.665 -12.556 1.00 0.00 C ATOM 0 H ALA A 35 0.363 14.594 -11.276 1.00 0.00 H new ATOM 0 HA ALA A 35 2.718 15.733 -12.438 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.039 13.454 -13.266 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.588 13.457 -11.544 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.379 13.034 -12.780 1.00 0.00 H new ATOM 471 N ARG A 36 0.061 15.628 -14.221 1.00 0.00 N ATOM 472 CA ARG A 36 -0.520 15.980 -15.506 1.00 0.00 C ATOM 473 C ARG A 36 0.003 17.341 -15.969 1.00 0.00 C ATOM 474 O ARG A 36 0.306 17.525 -17.147 1.00 0.00 O ATOM 475 CB ARG A 36 -2.047 16.028 -15.425 1.00 0.00 C ATOM 476 CG ARG A 36 -2.622 14.651 -15.085 1.00 0.00 C ATOM 477 CD ARG A 36 -4.149 14.658 -15.174 1.00 0.00 C ATOM 478 NE ARG A 36 -4.699 15.765 -14.360 1.00 0.00 N ATOM 479 CZ ARG A 36 -5.953 16.224 -14.467 1.00 0.00 C ATOM 480 NH1 ARG A 36 -6.795 15.675 -15.353 1.00 0.00 N ATOM 481 NH2 ARG A 36 -6.366 17.234 -13.688 1.00 0.00 N ATOM 0 H ARG A 36 -0.616 15.485 -13.472 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.230 15.212 -16.223 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.352 16.750 -14.668 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.455 16.372 -16.376 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.218 13.905 -15.769 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.314 14.362 -14.080 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.460 14.770 -16.213 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.546 13.706 -14.823 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.085 16.206 -13.675 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.481 14.907 -15.947 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.750 16.025 -15.434 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.725 17.653 -13.014 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.321 17.583 -13.770 1.00 0.00 H new ATOM 495 N GLN A 37 0.091 18.260 -15.019 1.00 0.00 N ATOM 496 CA GLN A 37 0.572 19.599 -15.316 1.00 0.00 C ATOM 497 C GLN A 37 1.906 19.531 -16.061 1.00 0.00 C ATOM 498 O GLN A 37 2.552 18.485 -16.090 1.00 0.00 O ATOM 499 CB GLN A 37 0.699 20.431 -14.038 1.00 0.00 C ATOM 500 CG GLN A 37 -0.557 21.274 -13.806 1.00 0.00 C ATOM 501 CD GLN A 37 -0.246 22.767 -13.933 1.00 0.00 C ATOM 502 OE1 GLN A 37 -0.391 23.371 -14.984 1.00 0.00 O ATOM 503 NE2 GLN A 37 0.189 23.327 -12.808 1.00 0.00 N ATOM 0 H GLN A 37 -0.162 18.104 -14.043 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.156 20.091 -15.960 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.862 19.772 -13.185 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.570 21.082 -14.109 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.325 20.996 -14.528 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.961 21.066 -12.815 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.288 22.764 -11.963 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.424 24.319 -12.790 1.00 0.00 H new ATOM 512 N PRO A 38 2.289 20.690 -16.661 1.00 0.00 N ATOM 513 CA PRO A 38 3.534 20.772 -17.405 1.00 0.00 C ATOM 514 C PRO A 38 4.735 20.825 -16.458 1.00 0.00 C ATOM 515 O PRO A 38 5.572 19.923 -16.460 1.00 0.00 O ATOM 516 CB PRO A 38 3.399 22.019 -18.263 1.00 0.00 C ATOM 517 CG PRO A 38 2.288 22.842 -17.631 1.00 0.00 C ATOM 518 CD PRO A 38 1.548 21.949 -16.648 1.00 0.00 C ATOM 0 HA PRO A 38 3.711 19.895 -18.027 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.334 22.579 -18.288 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.155 21.760 -19.293 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.701 23.712 -17.120 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.607 23.215 -18.396 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.530 22.388 -15.650 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.511 21.801 -16.950 1.00 0.00 H new ATOM 526 N GLU A 39 4.783 21.891 -15.673 1.00 0.00 N ATOM 527 CA GLU A 39 5.867 22.073 -14.723 1.00 0.00 C ATOM 528 C GLU A 39 6.018 20.830 -13.845 1.00 0.00 C ATOM 529 O GLU A 39 7.077 20.603 -13.260 1.00 0.00 O ATOM 530 CB GLU A 39 5.644 23.324 -13.870 1.00 0.00 C ATOM 531 CG GLU A 39 6.942 23.759 -13.185 1.00 0.00 C ATOM 532 CD GLU A 39 6.673 24.840 -12.137 1.00 0.00 C ATOM 533 OE1 GLU A 39 5.720 25.619 -12.357 1.00 0.00 O ATOM 534 OE2 GLU A 39 7.426 24.864 -11.140 1.00 0.00 O ATOM 0 H GLU A 39 4.088 22.638 -15.675 1.00 0.00 H new ATOM 0 HA GLU A 39 6.793 22.214 -15.281 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.270 24.134 -14.496 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.881 23.124 -13.118 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.414 22.898 -12.712 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.642 24.136 -13.930 1.00 0.00 H new ATOM 541 N LEU A 40 4.945 20.057 -13.779 1.00 0.00 N ATOM 542 CA LEU A 40 4.945 18.842 -12.982 1.00 0.00 C ATOM 543 C LEU A 40 5.195 17.639 -13.893 1.00 0.00 C ATOM 544 O LEU A 40 4.697 16.544 -13.634 1.00 0.00 O ATOM 545 CB LEU A 40 3.655 18.737 -12.166 1.00 0.00 C ATOM 546 CG LEU A 40 3.487 19.762 -11.042 1.00 0.00 C ATOM 547 CD1 LEU A 40 3.985 21.141 -11.480 1.00 0.00 C ATOM 548 CD2 LEU A 40 2.038 19.805 -10.552 1.00 0.00 C ATOM 0 H LEU A 40 4.069 20.248 -14.265 1.00 0.00 H new ATOM 0 HA LEU A 40 5.756 18.865 -12.254 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.809 18.832 -12.847 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.604 17.739 -11.731 1.00 0.00 H new ATOM 0 HG LEU A 40 4.103 19.450 -10.199 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.855 21.851 -10.663 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.041 21.080 -11.743 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.415 21.476 -12.346 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.946 20.541 -9.753 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.383 20.081 -11.378 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.752 18.823 -10.175 1.00 0.00 H new ATOM 560 N ARG A 41 5.967 17.882 -14.943 1.00 0.00 N ATOM 561 CA ARG A 41 6.290 16.832 -15.894 1.00 0.00 C ATOM 562 C ARG A 41 7.140 15.752 -15.223 1.00 0.00 C ATOM 563 O ARG A 41 6.952 14.563 -15.477 1.00 0.00 O ATOM 564 CB ARG A 41 7.048 17.394 -17.098 1.00 0.00 C ATOM 565 CG ARG A 41 7.254 16.319 -18.167 1.00 0.00 C ATOM 566 CD ARG A 41 8.634 15.670 -18.033 1.00 0.00 C ATOM 567 NE ARG A 41 9.313 15.650 -19.347 1.00 0.00 N ATOM 568 CZ ARG A 41 8.850 14.998 -20.422 1.00 0.00 C ATOM 569 NH1 ARG A 41 7.703 14.309 -20.345 1.00 0.00 N ATOM 570 NH2 ARG A 41 9.533 15.034 -21.574 1.00 0.00 N ATOM 0 H ARG A 41 6.378 18.791 -15.156 1.00 0.00 H new ATOM 0 HA ARG A 41 5.352 16.398 -16.240 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.495 18.232 -17.522 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.015 17.781 -16.775 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.480 15.557 -18.076 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.151 16.762 -19.158 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.236 16.222 -17.312 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.532 14.654 -17.652 1.00 0.00 H new ATOM 0 HE ARG A 41 10.189 16.165 -19.441 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.183 14.281 -19.468 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.350 13.813 -21.163 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.406 15.558 -21.633 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.180 14.537 -22.392 1.00 0.00 H new ATOM 584 N PRO A 42 8.082 16.215 -14.359 1.00 0.00 N ATOM 585 CA PRO A 42 8.962 15.302 -13.650 1.00 0.00 C ATOM 586 C PRO A 42 8.218 14.594 -12.515 1.00 0.00 C ATOM 587 O PRO A 42 8.670 13.563 -12.020 1.00 0.00 O ATOM 588 CB PRO A 42 10.113 16.165 -13.159 1.00 0.00 C ATOM 589 CG PRO A 42 9.608 17.598 -13.207 1.00 0.00 C ATOM 590 CD PRO A 42 8.333 17.616 -14.034 1.00 0.00 C ATOM 0 HA PRO A 42 9.330 14.495 -14.284 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.405 15.887 -12.146 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.993 16.039 -13.790 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.415 17.969 -12.200 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.359 18.253 -13.649 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.504 18.047 -13.473 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.454 18.216 -14.936 1.00 0.00 H new ATOM 598 N VAL A 43 7.091 15.177 -12.136 1.00 0.00 N ATOM 599 CA VAL A 43 6.280 14.616 -11.068 1.00 0.00 C ATOM 600 C VAL A 43 5.838 13.204 -11.459 1.00 0.00 C ATOM 601 O VAL A 43 5.616 12.358 -10.594 1.00 0.00 O ATOM 602 CB VAL A 43 5.106 15.546 -10.758 1.00 0.00 C ATOM 603 CG1 VAL A 43 4.182 14.930 -9.706 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.600 16.924 -10.315 1.00 0.00 C ATOM 0 H VAL A 43 6.720 16.032 -12.549 1.00 0.00 H new ATOM 0 HA VAL A 43 6.861 14.533 -10.150 1.00 0.00 H new ATOM 0 HB VAL A 43 4.530 15.676 -11.674 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.356 15.611 -9.504 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.789 13.983 -10.076 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.742 14.756 -8.787 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.745 17.565 -10.101 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.210 16.821 -9.418 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.198 17.369 -11.110 1.00 0.00 H new ATOM 614 N LEU A 44 5.723 12.993 -12.762 1.00 0.00 N ATOM 615 CA LEU A 44 5.311 11.698 -13.277 1.00 0.00 C ATOM 616 C LEU A 44 6.212 10.610 -12.689 1.00 0.00 C ATOM 617 O LEU A 44 5.723 9.596 -12.194 1.00 0.00 O ATOM 618 CB LEU A 44 5.285 11.714 -14.806 1.00 0.00 C ATOM 619 CG LEU A 44 3.910 11.537 -15.455 1.00 0.00 C ATOM 620 CD1 LEU A 44 3.947 11.930 -16.933 1.00 0.00 C ATOM 621 CD2 LEU A 44 3.389 10.113 -15.254 1.00 0.00 C ATOM 0 H LEU A 44 5.908 13.697 -13.477 1.00 0.00 H new ATOM 0 HA LEU A 44 4.291 11.471 -12.966 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.707 12.659 -15.147 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.941 10.923 -15.169 1.00 0.00 H new ATOM 0 HG LEU A 44 3.209 12.210 -14.960 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.958 11.795 -17.370 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.245 12.975 -17.024 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.665 11.301 -17.459 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.411 10.014 -15.724 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.083 9.404 -15.706 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.302 9.905 -14.188 1.00 0.00 H new ATOM 633 N GLN A 45 7.511 10.859 -12.762 1.00 0.00 N ATOM 634 CA GLN A 45 8.484 9.913 -12.243 1.00 0.00 C ATOM 635 C GLN A 45 8.261 9.689 -10.746 1.00 0.00 C ATOM 636 O GLN A 45 8.530 8.606 -10.230 1.00 0.00 O ATOM 637 CB GLN A 45 9.912 10.388 -12.520 1.00 0.00 C ATOM 638 CG GLN A 45 10.936 9.362 -12.029 1.00 0.00 C ATOM 639 CD GLN A 45 12.342 9.711 -12.523 1.00 0.00 C ATOM 640 OE1 GLN A 45 13.059 10.499 -11.928 1.00 0.00 O ATOM 641 NE2 GLN A 45 12.694 9.083 -13.641 1.00 0.00 N ATOM 0 H GLN A 45 7.912 11.702 -13.173 1.00 0.00 H new ATOM 0 HA GLN A 45 8.347 8.962 -12.757 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.043 10.555 -13.589 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.084 11.344 -12.025 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.928 9.327 -10.940 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.659 8.369 -12.382 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.045 8.435 -14.088 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.613 9.249 -14.051 1.00 0.00 H new ATOM 650 N THR A 46 7.772 10.732 -10.091 1.00 0.00 N ATOM 651 CA THR A 46 7.510 10.663 -8.663 1.00 0.00 C ATOM 652 C THR A 46 6.256 9.830 -8.391 1.00 0.00 C ATOM 653 O THR A 46 6.189 9.112 -7.394 1.00 0.00 O ATOM 654 CB THR A 46 7.416 12.094 -8.131 1.00 0.00 C ATOM 655 OG1 THR A 46 8.467 12.178 -7.173 1.00 0.00 O ATOM 656 CG2 THR A 46 6.146 12.332 -7.311 1.00 0.00 C ATOM 0 H THR A 46 7.550 11.629 -10.523 1.00 0.00 H new ATOM 0 HA THR A 46 8.319 10.157 -8.136 1.00 0.00 H new ATOM 0 HB THR A 46 7.446 12.794 -8.966 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.480 13.075 -6.779 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.129 13.363 -6.957 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.271 12.148 -7.934 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.132 11.655 -6.457 1.00 0.00 H new ATOM 664 N THR A 47 5.295 9.952 -9.294 1.00 0.00 N ATOM 665 CA THR A 47 4.047 9.219 -9.164 1.00 0.00 C ATOM 666 C THR A 47 4.258 7.743 -9.505 1.00 0.00 C ATOM 667 O THR A 47 3.583 6.873 -8.959 1.00 0.00 O ATOM 668 CB THR A 47 3.002 9.904 -10.047 1.00 0.00 C ATOM 669 OG1 THR A 47 3.311 9.454 -11.363 1.00 0.00 O ATOM 670 CG2 THR A 47 3.197 11.420 -10.116 1.00 0.00 C ATOM 0 H THR A 47 5.355 10.548 -10.120 1.00 0.00 H new ATOM 0 HA THR A 47 3.684 9.234 -8.136 1.00 0.00 H new ATOM 0 HB THR A 47 2.005 9.683 -9.667 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.196 9.785 -11.623 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.430 11.857 -10.755 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.119 11.843 -9.114 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.182 11.642 -10.528 1.00 0.00 H new ATOM 678 N MET A 48 5.199 7.506 -10.408 1.00 0.00 N ATOM 679 CA MET A 48 5.507 6.150 -10.829 1.00 0.00 C ATOM 680 C MET A 48 6.160 5.358 -9.694 1.00 0.00 C ATOM 681 O MET A 48 5.851 4.185 -9.493 1.00 0.00 O ATOM 682 CB MET A 48 6.452 6.191 -12.032 1.00 0.00 C ATOM 683 CG MET A 48 5.870 5.410 -13.213 1.00 0.00 C ATOM 684 SD MET A 48 6.863 5.679 -14.671 1.00 0.00 S ATOM 685 CE MET A 48 5.590 5.649 -15.922 1.00 0.00 C ATOM 0 H MET A 48 5.758 8.230 -10.859 1.00 0.00 H new ATOM 0 HA MET A 48 4.576 5.655 -11.104 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.627 7.226 -12.326 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.419 5.771 -11.754 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.838 4.347 -12.976 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.844 5.726 -13.399 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.040 5.803 -16.903 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.084 4.684 -15.903 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.868 6.442 -15.725 1.00 0.00 H new ATOM 695 N PHE A 49 7.052 6.032 -8.982 1.00 0.00 N ATOM 696 CA PHE A 49 7.751 5.407 -7.873 1.00 0.00 C ATOM 697 C PHE A 49 6.829 5.249 -6.663 1.00 0.00 C ATOM 698 O PHE A 49 6.958 4.292 -5.900 1.00 0.00 O ATOM 699 CB PHE A 49 8.911 6.331 -7.498 1.00 0.00 C ATOM 700 CG PHE A 49 10.142 5.597 -6.961 1.00 0.00 C ATOM 701 CD1 PHE A 49 10.224 5.283 -5.641 1.00 0.00 C ATOM 702 CD2 PHE A 49 11.154 5.260 -7.805 1.00 0.00 C ATOM 703 CE1 PHE A 49 11.366 4.602 -5.142 1.00 0.00 C ATOM 704 CE2 PHE A 49 12.297 4.580 -7.306 1.00 0.00 C ATOM 705 CZ PHE A 49 12.379 4.265 -5.986 1.00 0.00 C ATOM 0 H PHE A 49 7.306 7.005 -9.152 1.00 0.00 H new ATOM 0 HA PHE A 49 8.098 4.415 -8.163 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.200 6.910 -8.376 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.568 7.042 -6.746 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.420 5.552 -4.971 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.089 5.509 -8.854 1.00 0.00 H new ATOM 0 HE1 PHE A 49 11.431 4.352 -4.093 1.00 0.00 H new ATOM 0 HE2 PHE A 49 13.101 4.313 -7.976 1.00 0.00 H new ATOM 0 HZ PHE A 49 13.248 3.747 -5.607 1.00 0.00 H new ATOM 715 N ILE A 50 5.918 6.201 -6.524 1.00 0.00 N ATOM 716 CA ILE A 50 4.975 6.180 -5.419 1.00 0.00 C ATOM 717 C ILE A 50 3.965 5.051 -5.638 1.00 0.00 C ATOM 718 O ILE A 50 3.513 4.423 -4.682 1.00 0.00 O ATOM 719 CB ILE A 50 4.329 7.555 -5.239 1.00 0.00 C ATOM 720 CG1 ILE A 50 4.516 8.065 -3.808 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.856 7.528 -5.650 1.00 0.00 C ATOM 722 CD1 ILE A 50 5.941 8.578 -3.591 1.00 0.00 C ATOM 0 H ILE A 50 5.813 6.992 -7.159 1.00 0.00 H new ATOM 0 HA ILE A 50 5.491 5.971 -4.482 1.00 0.00 H new ATOM 0 HB ILE A 50 4.834 8.259 -5.901 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.803 8.865 -3.607 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.303 7.263 -3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.422 8.518 -5.512 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.776 7.240 -6.698 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.319 6.807 -5.033 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.047 8.935 -2.566 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.650 7.769 -3.769 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.142 9.396 -4.283 1.00 0.00 H new ATOM 734 N GLY A 51 3.641 4.827 -6.903 1.00 0.00 N ATOM 735 CA GLY A 51 2.694 3.785 -7.260 1.00 0.00 C ATOM 736 C GLY A 51 3.237 2.402 -6.897 1.00 0.00 C ATOM 737 O GLY A 51 2.547 1.607 -6.261 1.00 0.00 O ATOM 0 H GLY A 51 4.018 5.350 -7.694 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.749 3.955 -6.744 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.486 3.829 -8.329 1.00 0.00 H new ATOM 741 N VAL A 52 4.470 2.156 -7.317 1.00 0.00 N ATOM 742 CA VAL A 52 5.114 0.883 -7.044 1.00 0.00 C ATOM 743 C VAL A 52 5.274 0.711 -5.532 1.00 0.00 C ATOM 744 O VAL A 52 4.952 -0.343 -4.986 1.00 0.00 O ATOM 745 CB VAL A 52 6.442 0.796 -7.799 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.013 -0.622 -7.741 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.281 1.264 -9.247 1.00 0.00 C ATOM 0 H VAL A 52 5.040 2.817 -7.845 1.00 0.00 H new ATOM 0 HA VAL A 52 4.497 0.059 -7.402 1.00 0.00 H new ATOM 0 HB VAL A 52 7.151 1.463 -7.309 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.957 -0.657 -8.285 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.183 -0.904 -6.702 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.307 -1.317 -8.195 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.239 1.192 -9.761 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.549 0.635 -9.754 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.940 2.299 -9.259 1.00 0.00 H new ATOM 757 N ALA A 53 5.770 1.763 -4.898 1.00 0.00 N ATOM 758 CA ALA A 53 5.976 1.742 -3.460 1.00 0.00 C ATOM 759 C ALA A 53 4.677 1.324 -2.769 1.00 0.00 C ATOM 760 O ALA A 53 4.703 0.598 -1.777 1.00 0.00 O ATOM 761 CB ALA A 53 6.469 3.113 -2.994 1.00 0.00 C ATOM 0 H ALA A 53 6.035 2.636 -5.354 1.00 0.00 H new ATOM 0 HA ALA A 53 6.741 1.013 -3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.623 3.097 -1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.409 3.350 -3.492 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.726 3.871 -3.243 1.00 0.00 H new ATOM 767 N LEU A 54 3.571 1.801 -3.321 1.00 0.00 N ATOM 768 CA LEU A 54 2.263 1.486 -2.770 1.00 0.00 C ATOM 769 C LEU A 54 1.968 0.000 -2.986 1.00 0.00 C ATOM 770 O LEU A 54 1.292 -0.627 -2.172 1.00 0.00 O ATOM 771 CB LEU A 54 1.198 2.416 -3.354 1.00 0.00 C ATOM 772 CG LEU A 54 0.186 1.766 -4.299 1.00 0.00 C ATOM 773 CD1 LEU A 54 -1.026 1.239 -3.528 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.221 2.731 -5.415 1.00 0.00 C ATOM 0 H LEU A 54 3.553 2.403 -4.144 1.00 0.00 H new ATOM 0 HA LEU A 54 2.250 1.661 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.653 2.875 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.701 3.221 -3.890 1.00 0.00 H new ATOM 0 HG LEU A 54 0.664 0.908 -4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.729 0.782 -4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.700 0.495 -2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.514 2.064 -3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.941 2.244 -6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.673 3.622 -4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.661 3.015 -5.990 1.00 0.00 H new ATOM 786 N VAL A 55 2.489 -0.520 -4.088 1.00 0.00 N ATOM 787 CA VAL A 55 2.290 -1.920 -4.421 1.00 0.00 C ATOM 788 C VAL A 55 3.094 -2.790 -3.453 1.00 0.00 C ATOM 789 O VAL A 55 2.744 -3.944 -3.212 1.00 0.00 O ATOM 790 CB VAL A 55 2.652 -2.165 -5.887 1.00 0.00 C ATOM 791 CG1 VAL A 55 2.953 -3.644 -6.138 1.00 0.00 C ATOM 792 CG2 VAL A 55 1.545 -1.666 -6.817 1.00 0.00 C ATOM 0 H VAL A 55 3.049 0.003 -4.761 1.00 0.00 H new ATOM 0 HA VAL A 55 1.241 -2.194 -4.309 1.00 0.00 H new ATOM 0 HB VAL A 55 3.556 -1.597 -6.107 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.207 -3.790 -7.188 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.791 -3.956 -5.515 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.075 -4.241 -5.891 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.828 -1.853 -7.853 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.617 -2.193 -6.594 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.399 -0.596 -6.668 1.00 0.00 H new ATOM 802 N GLU A 56 4.157 -2.202 -2.924 1.00 0.00 N ATOM 803 CA GLU A 56 5.014 -2.909 -1.987 1.00 0.00 C ATOM 804 C GLU A 56 4.315 -3.056 -0.634 1.00 0.00 C ATOM 805 O GLU A 56 4.860 -3.659 0.289 1.00 0.00 O ATOM 806 CB GLU A 56 6.361 -2.200 -1.833 1.00 0.00 C ATOM 807 CG GLU A 56 7.321 -2.596 -2.958 1.00 0.00 C ATOM 808 CD GLU A 56 8.743 -2.116 -2.659 1.00 0.00 C ATOM 809 OE1 GLU A 56 8.944 -0.883 -2.693 1.00 0.00 O ATOM 810 OE2 GLU A 56 9.596 -2.993 -2.404 1.00 0.00 O ATOM 0 H GLU A 56 4.444 -1.244 -3.126 1.00 0.00 H new ATOM 0 HA GLU A 56 5.208 -3.905 -2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.211 -1.120 -1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.801 -2.453 -0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.317 -3.679 -3.080 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.979 -2.168 -3.900 1.00 0.00 H new ATOM 817 N ALA A 57 3.116 -2.496 -0.560 1.00 0.00 N ATOM 818 CA ALA A 57 2.336 -2.557 0.664 1.00 0.00 C ATOM 819 C ALA A 57 1.466 -3.815 0.647 1.00 0.00 C ATOM 820 O ALA A 57 0.935 -4.221 1.679 1.00 0.00 O ATOM 821 CB ALA A 57 1.509 -1.278 0.807 1.00 0.00 C ATOM 0 H ALA A 57 2.666 -1.998 -1.328 1.00 0.00 H new ATOM 0 HA ALA A 57 2.991 -2.621 1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.924 -1.324 1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.175 -0.416 0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.838 -1.181 -0.046 1.00 0.00 H new ATOM 827 N LEU A 58 1.346 -4.397 -0.537 1.00 0.00 N ATOM 828 CA LEU A 58 0.549 -5.600 -0.703 1.00 0.00 C ATOM 829 C LEU A 58 1.300 -6.791 -0.102 1.00 0.00 C ATOM 830 O LEU A 58 0.751 -7.527 0.715 1.00 0.00 O ATOM 831 CB LEU A 58 0.167 -5.792 -2.172 1.00 0.00 C ATOM 832 CG LEU A 58 -1.264 -6.264 -2.436 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.282 -5.277 -1.861 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.491 -6.518 -3.928 1.00 0.00 C ATOM 0 H LEU A 58 1.788 -4.057 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.393 -5.510 -0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.319 -4.847 -2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.854 -6.513 -2.614 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.411 -7.214 -1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.291 -5.636 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.136 -5.190 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.145 -4.301 -2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.516 -6.853 -4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.319 -5.597 -4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.800 -7.286 -4.276 1.00 0.00 H new ATOM 846 N PRO A 59 2.578 -6.946 -0.542 1.00 0.00 N ATOM 847 CA PRO A 59 3.410 -8.034 -0.057 1.00 0.00 C ATOM 848 C PRO A 59 3.897 -7.759 1.367 1.00 0.00 C ATOM 849 O PRO A 59 4.021 -8.679 2.173 1.00 0.00 O ATOM 850 CB PRO A 59 4.544 -8.140 -1.063 1.00 0.00 C ATOM 851 CG PRO A 59 4.563 -6.817 -1.812 1.00 0.00 C ATOM 852 CD PRO A 59 3.262 -6.092 -1.510 1.00 0.00 C ATOM 0 HA PRO A 59 2.869 -8.978 0.014 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.495 -8.318 -0.562 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.383 -8.973 -1.747 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.417 -6.215 -1.501 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.666 -6.987 -2.884 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.448 -5.099 -1.100 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.665 -5.958 -2.412 1.00 0.00 H new ATOM 860 N ILE A 60 4.160 -6.488 1.633 1.00 0.00 N ATOM 861 CA ILE A 60 4.631 -6.080 2.945 1.00 0.00 C ATOM 862 C ILE A 60 3.606 -6.495 4.002 1.00 0.00 C ATOM 863 O ILE A 60 3.931 -7.227 4.934 1.00 0.00 O ATOM 864 CB ILE A 60 4.956 -4.585 2.957 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.327 -4.316 2.333 1.00 0.00 C ATOM 866 CG2 ILE A 60 4.848 -4.011 4.371 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.570 -2.815 2.168 1.00 0.00 C ATOM 0 H ILE A 60 4.056 -5.727 0.962 1.00 0.00 H new ATOM 0 HA ILE A 60 5.564 -6.587 3.189 1.00 0.00 H new ATOM 0 HB ILE A 60 4.216 -4.071 2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.107 -4.747 2.961 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.391 -4.807 1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.084 -2.947 4.351 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.833 -4.151 4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.550 -4.526 5.027 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.551 -2.652 1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.803 -2.391 1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.529 -2.330 3.144 1.00 0.00 H new ATOM 879 N ILE A 61 2.387 -6.008 3.821 1.00 0.00 N ATOM 880 CA ILE A 61 1.311 -6.319 4.747 1.00 0.00 C ATOM 881 C ILE A 61 1.111 -7.835 4.798 1.00 0.00 C ATOM 882 O ILE A 61 0.934 -8.405 5.874 1.00 0.00 O ATOM 883 CB ILE A 61 0.045 -5.543 4.378 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.249 -4.039 4.570 1.00 0.00 C ATOM 885 CG2 ILE A 61 -1.163 -6.062 5.160 1.00 0.00 C ATOM 886 CD1 ILE A 61 0.720 -3.726 5.992 1.00 0.00 C ATOM 0 H ILE A 61 2.121 -5.400 3.047 1.00 0.00 H new ATOM 0 HA ILE A 61 1.571 -5.997 5.755 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.161 -5.708 3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.983 -3.673 3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.684 -3.513 4.368 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.050 -5.494 4.879 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.320 -7.116 4.930 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.982 -5.947 6.229 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.857 -2.650 6.101 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.027 -4.071 6.707 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.666 -4.234 6.182 1.00 0.00 H new ATOM 898 N GLY A 62 1.144 -8.444 3.622 1.00 0.00 N ATOM 899 CA GLY A 62 0.968 -9.882 3.519 1.00 0.00 C ATOM 900 C GLY A 62 1.917 -10.620 4.465 1.00 0.00 C ATOM 901 O GLY A 62 1.566 -11.664 5.014 1.00 0.00 O ATOM 0 H GLY A 62 1.290 -7.967 2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.063 -10.144 3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.150 -10.202 2.493 1.00 0.00 H new ATOM 905 N VAL A 63 3.102 -10.049 4.627 1.00 0.00 N ATOM 906 CA VAL A 63 4.104 -10.639 5.498 1.00 0.00 C ATOM 907 C VAL A 63 3.704 -10.412 6.957 1.00 0.00 C ATOM 908 O VAL A 63 3.993 -11.240 7.820 1.00 0.00 O ATOM 909 CB VAL A 63 5.486 -10.075 5.162 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.504 -10.435 6.246 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.956 -10.556 3.788 1.00 0.00 C ATOM 0 H VAL A 63 3.390 -9.184 4.170 1.00 0.00 H new ATOM 0 HA VAL A 63 4.160 -11.716 5.341 1.00 0.00 H new ATOM 0 HB VAL A 63 5.404 -8.989 5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.478 -10.022 5.982 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.181 -10.021 7.201 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.580 -11.519 6.328 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.941 -10.140 3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.013 -11.645 3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.250 -10.226 3.026 1.00 0.00 H new ATOM 921 N VAL A 64 3.046 -9.285 7.188 1.00 0.00 N ATOM 922 CA VAL A 64 2.604 -8.938 8.528 1.00 0.00 C ATOM 923 C VAL A 64 1.522 -9.924 8.975 1.00 0.00 C ATOM 924 O VAL A 64 1.643 -10.549 10.027 1.00 0.00 O ATOM 925 CB VAL A 64 2.137 -7.482 8.564 1.00 0.00 C ATOM 926 CG1 VAL A 64 1.309 -7.203 9.820 1.00 0.00 C ATOM 927 CG2 VAL A 64 3.325 -6.523 8.466 1.00 0.00 C ATOM 0 H VAL A 64 2.808 -8.601 6.470 1.00 0.00 H new ATOM 0 HA VAL A 64 3.430 -9.018 9.235 1.00 0.00 H new ATOM 0 HB VAL A 64 1.498 -7.313 7.697 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.989 -6.161 9.821 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.433 -7.851 9.830 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.914 -7.398 10.705 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.966 -5.494 8.494 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.001 -6.694 9.304 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.856 -6.696 7.530 1.00 0.00 H new ATOM 937 N PHE A 65 0.490 -10.033 8.152 1.00 0.00 N ATOM 938 CA PHE A 65 -0.612 -10.932 8.448 1.00 0.00 C ATOM 939 C PHE A 65 -0.099 -12.330 8.802 1.00 0.00 C ATOM 940 O PHE A 65 -0.561 -12.939 9.766 1.00 0.00 O ATOM 941 CB PHE A 65 -1.470 -11.022 7.185 1.00 0.00 C ATOM 942 CG PHE A 65 -1.689 -12.450 6.681 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.343 -13.353 7.460 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.231 -12.816 5.454 1.00 0.00 C ATOM 945 CE1 PHE A 65 -2.546 -14.678 6.993 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.434 -14.142 4.987 1.00 0.00 C ATOM 947 CZ PHE A 65 -2.088 -15.045 5.766 1.00 0.00 C ATOM 0 H PHE A 65 0.394 -9.513 7.280 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.180 -10.555 9.299 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.440 -10.565 7.384 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.998 -10.437 6.395 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.708 -13.062 8.434 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.713 -12.099 4.835 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.064 -15.395 7.612 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.069 -14.433 4.013 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.244 -16.053 5.410 1.00 0.00 H new ATOM 957 N SER A 66 0.848 -12.798 8.003 1.00 0.00 N ATOM 958 CA SER A 66 1.429 -14.112 8.220 1.00 0.00 C ATOM 959 C SER A 66 2.174 -14.141 9.555 1.00 0.00 C ATOM 960 O SER A 66 2.022 -15.080 10.335 1.00 0.00 O ATOM 961 CB SER A 66 2.372 -14.493 7.077 1.00 0.00 C ATOM 962 OG SER A 66 1.785 -14.258 5.800 1.00 0.00 O ATOM 0 H SER A 66 1.228 -12.291 7.204 1.00 0.00 H new ATOM 0 HA SER A 66 0.621 -14.843 8.247 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.295 -13.920 7.163 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.641 -15.546 7.164 1.00 0.00 H new ATOM 0 HG SER A 66 1.901 -13.316 5.555 1.00 0.00 H new ATOM 968 N PHE A 67 2.965 -13.101 9.778 1.00 0.00 N ATOM 969 CA PHE A 67 3.735 -12.995 11.006 1.00 0.00 C ATOM 970 C PHE A 67 2.824 -13.073 12.233 1.00 0.00 C ATOM 971 O PHE A 67 3.214 -13.612 13.267 1.00 0.00 O ATOM 972 CB PHE A 67 4.426 -11.631 10.984 1.00 0.00 C ATOM 973 CG PHE A 67 5.804 -11.621 11.650 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.913 -11.920 10.921 1.00 0.00 C ATOM 975 CD2 PHE A 67 5.920 -11.313 12.969 1.00 0.00 C ATOM 976 CE1 PHE A 67 8.192 -11.911 11.539 1.00 0.00 C ATOM 977 CE2 PHE A 67 7.198 -11.303 13.587 1.00 0.00 C ATOM 978 CZ PHE A 67 8.307 -11.602 12.858 1.00 0.00 C ATOM 0 H PHE A 67 3.089 -12.324 9.129 1.00 0.00 H new ATOM 0 HA PHE A 67 4.452 -13.813 11.067 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.531 -11.305 9.949 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.787 -10.903 11.484 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.821 -12.164 9.873 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.039 -11.076 13.547 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.073 -12.150 10.961 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.290 -11.058 14.635 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.280 -11.594 13.327 1.00 0.00 H new ATOM 988 N ILE A 68 1.627 -12.526 12.077 1.00 0.00 N ATOM 989 CA ILE A 68 0.657 -12.527 13.159 1.00 0.00 C ATOM 990 C ILE A 68 0.423 -13.964 13.627 1.00 0.00 C ATOM 991 O ILE A 68 0.555 -14.264 14.813 1.00 0.00 O ATOM 992 CB ILE A 68 -0.621 -11.802 12.733 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.618 -10.352 13.220 1.00 0.00 C ATOM 994 CG2 ILE A 68 -1.864 -12.562 13.202 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.544 -9.569 12.605 1.00 0.00 C ATOM 0 H ILE A 68 1.307 -12.079 11.218 1.00 0.00 H new ATOM 0 HA ILE A 68 1.040 -11.972 14.015 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.651 -11.775 11.644 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.562 -9.875 12.958 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.541 -10.330 14.307 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.759 -12.026 12.886 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.866 -13.561 12.765 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.853 -12.642 14.289 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.523 -8.541 12.968 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.488 -10.035 12.889 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.451 -9.572 11.519 1.00 0.00 H new ATOM 1007 N TYR A 69 0.078 -14.815 12.672 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.176 -16.214 12.971 1.00 0.00 C ATOM 1009 C TYR A 69 0.937 -16.799 13.843 1.00 0.00 C ATOM 1010 O TYR A 69 0.664 -17.439 14.858 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.186 -16.939 11.624 1.00 0.00 C ATOM 1012 CG TYR A 69 -0.891 -18.296 11.653 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -0.355 -19.337 12.384 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -2.063 -18.480 10.947 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -1.019 -20.615 12.412 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -2.726 -19.758 10.974 1.00 0.00 C ATOM 1017 CZ TYR A 69 -2.172 -20.762 11.705 1.00 0.00 C ATOM 1018 OH TYR A 69 -2.799 -21.969 11.731 1.00 0.00 O ATOM 0 H TYR A 69 -0.032 -14.562 11.690 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.115 -16.326 13.513 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.674 -16.304 10.885 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.842 -17.082 11.293 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.563 -19.193 12.935 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.482 -17.666 10.375 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.611 -21.437 12.981 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.643 -19.916 10.426 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.610 -21.928 11.183 1.00 0.00 H new ATOM 1028 N LEU A 70 2.168 -16.559 13.416 1.00 0.00 N ATOM 1029 CA LEU A 70 3.323 -17.054 14.146 1.00 0.00 C ATOM 1030 C LEU A 70 3.197 -16.662 15.619 1.00 0.00 C ATOM 1031 O LEU A 70 3.798 -17.293 16.487 1.00 0.00 O ATOM 1032 CB LEU A 70 4.618 -16.570 13.490 1.00 0.00 C ATOM 1033 CG LEU A 70 5.682 -17.641 13.237 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.615 -18.151 11.796 1.00 0.00 C ATOM 1035 CD2 LEU A 70 7.076 -17.124 13.598 1.00 0.00 C ATOM 0 H LEU A 70 2.391 -16.028 12.574 1.00 0.00 H new ATOM 0 HA LEU A 70 3.360 -18.143 14.108 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.367 -16.103 12.538 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.054 -15.795 14.120 1.00 0.00 H new ATOM 0 HG LEU A 70 5.474 -18.490 13.889 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.381 -18.911 11.643 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.632 -18.584 11.609 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.783 -17.322 11.108 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.814 -17.904 13.409 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.309 -16.250 12.990 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.100 -16.849 14.653 1.00 0.00 H new ATOM 1047 N GLY A 71 2.411 -15.622 15.857 1.00 0.00 N ATOM 1048 CA GLY A 71 2.198 -15.139 17.210 1.00 0.00 C ATOM 1049 C GLY A 71 2.730 -13.713 17.374 1.00 0.00 C ATOM 1050 O GLY A 71 2.885 -13.229 18.494 1.00 0.00 O ATOM 0 H GLY A 71 1.914 -15.101 15.135 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.134 -15.163 17.445 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.696 -15.801 17.919 1.00 0.00 H new ATOM 1054 N ARG A 72 2.995 -13.081 16.240 1.00 0.00 N ATOM 1055 CA ARG A 72 3.506 -11.721 16.243 1.00 0.00 C ATOM 1056 C ARG A 72 4.888 -11.675 16.898 1.00 0.00 C ATOM 1057 O ARG A 72 5.905 -11.809 16.219 1.00 0.00 O ATOM 1058 CB ARG A 72 2.562 -10.780 16.994 1.00 0.00 C ATOM 1059 CG ARG A 72 3.002 -9.323 16.837 1.00 0.00 C ATOM 1060 CD ARG A 72 3.091 -8.933 15.360 1.00 0.00 C ATOM 1061 NE ARG A 72 2.613 -7.545 15.173 1.00 0.00 N ATOM 1062 CZ ARG A 72 3.364 -6.456 15.392 1.00 0.00 C ATOM 1063 NH1 ARG A 72 4.631 -6.588 15.807 1.00 0.00 N ATOM 1064 NH2 ARG A 72 2.847 -5.235 15.196 1.00 0.00 N ATOM 0 H ARG A 72 2.865 -13.486 15.313 1.00 0.00 H new ATOM 0 HA ARG A 72 3.580 -11.392 15.206 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.547 -10.900 16.616 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.542 -11.046 18.051 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.295 -8.669 17.348 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.971 -9.179 17.314 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.121 -9.021 15.013 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.492 -9.617 14.758 1.00 0.00 H new ATOM 0 HE ARG A 72 1.653 -7.408 14.858 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.025 -7.517 15.956 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.202 -5.759 15.973 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.882 -5.134 14.880 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.418 -4.407 15.363 1.00 0.00 H new TER 1078 ARG A 72