USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 670 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 7 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 179:sc= -1.16 (180deg=-1.17) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot -160:sc= -1.45! USER MOD Single : A 37 HIS : no HD1:sc= -2.84! C(o=-2.8!,f=-8.6!) USER MOD Single : A 38 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0495) USER MOD Single : A 52 ASN : amide:sc= -6.63! C(o=-6.6!,f=-5.6!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -172:sc= -0.12 USER MOD Single : A 79 ASN : amide:sc= -3.49! K(o=-3.5!,f=-0.086) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -160:sc= -0.137 (180deg=-0.544) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.179 18.493 6.529 1.00 0.00 N ATOM 2 CA MET A 1 10.153 17.829 7.375 1.00 0.00 C ATOM 3 C MET A 1 8.822 18.571 7.309 1.00 0.00 C ATOM 4 O MET A 1 8.709 19.702 7.784 1.00 0.00 O ATOM 5 CB MET A 1 10.662 17.781 8.817 1.00 0.00 C ATOM 6 CG MET A 1 10.520 16.415 9.467 1.00 0.00 C ATOM 7 SD MET A 1 11.616 16.200 10.882 1.00 0.00 S ATOM 8 CE MET A 1 13.118 15.659 10.071 1.00 0.00 C ATOM 0 H1 MET A 1 12.074 17.968 6.592 1.00 0.00 H new ATOM 0 H2 MET A 1 10.856 18.509 5.540 1.00 0.00 H new ATOM 0 H3 MET A 1 11.325 19.468 6.861 1.00 0.00 H new ATOM 0 HA MET A 1 9.984 16.818 7.005 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.712 18.074 8.833 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.117 18.515 9.411 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.488 16.276 9.788 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.731 15.642 8.728 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.892 15.484 10.818 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.925 14.735 9.526 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.453 16.428 9.374 1.00 0.00 H new ATOM 20 N GLY A 2 7.821 17.932 6.715 1.00 0.00 N ATOM 21 CA GLY A 2 6.509 18.548 6.603 1.00 0.00 C ATOM 22 C GLY A 2 5.554 17.728 5.761 1.00 0.00 C ATOM 23 O GLY A 2 4.367 18.041 5.672 1.00 0.00 O ATOM 0 H GLY A 2 7.893 16.999 6.309 1.00 0.00 H new ATOM 0 HA2 GLY A 2 6.087 18.681 7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 2 6.613 19.541 6.166 1.00 0.00 H new ATOM 27 N ASP A 3 6.088 16.711 5.093 1.00 0.00 N ATOM 28 CA ASP A 3 5.280 15.841 4.244 1.00 0.00 C ATOM 29 C ASP A 3 4.734 14.653 5.030 1.00 0.00 C ATOM 30 O ASP A 3 5.378 14.159 5.953 1.00 0.00 O ATOM 31 CB ASP A 3 6.101 15.351 3.048 1.00 0.00 C ATOM 32 CG ASP A 3 7.281 14.495 3.461 1.00 0.00 C ATOM 33 OD1 ASP A 3 8.139 14.995 4.219 1.00 0.00 O ATOM 34 OD2 ASP A 3 7.350 13.329 3.019 1.00 0.00 O ATOM 0 H ASP A 3 7.078 16.468 5.123 1.00 0.00 H new ATOM 0 HA ASP A 3 4.434 16.422 3.879 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.457 14.778 2.381 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.461 16.211 2.483 1.00 0.00 H new ATOM 39 N VAL A 4 3.540 14.202 4.657 1.00 0.00 N ATOM 40 CA VAL A 4 2.911 13.065 5.320 1.00 0.00 C ATOM 41 C VAL A 4 3.128 11.773 4.534 1.00 0.00 C ATOM 42 O VAL A 4 2.801 11.696 3.349 1.00 0.00 O ATOM 43 CB VAL A 4 1.399 13.289 5.506 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.859 12.371 6.587 1.00 0.00 C ATOM 45 CG2 VAL A 4 1.107 14.745 5.835 1.00 0.00 C ATOM 0 H VAL A 4 2.989 14.606 3.900 1.00 0.00 H new ATOM 0 HA VAL A 4 3.383 12.974 6.298 1.00 0.00 H new ATOM 0 HB VAL A 4 0.896 13.049 4.569 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.211 12.541 6.707 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.032 11.333 6.303 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.367 12.579 7.528 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.033 14.881 5.962 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.619 15.019 6.757 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.459 15.379 5.022 1.00 0.00 H new ATOM 55 N VAL A 5 3.665 10.752 5.202 1.00 0.00 N ATOM 56 CA VAL A 5 3.914 9.462 4.560 1.00 0.00 C ATOM 57 C VAL A 5 3.034 8.365 5.153 1.00 0.00 C ATOM 58 O VAL A 5 3.249 7.936 6.285 1.00 0.00 O ATOM 59 CB VAL A 5 5.388 9.034 4.697 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.664 7.793 3.860 1.00 0.00 C ATOM 61 CG2 VAL A 5 6.313 10.170 4.294 1.00 0.00 C ATOM 0 H VAL A 5 3.935 10.793 6.185 1.00 0.00 H new ATOM 0 HA VAL A 5 3.673 9.594 3.505 1.00 0.00 H new ATOM 0 HB VAL A 5 5.580 8.791 5.742 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.710 7.506 3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.026 6.977 4.198 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.454 8.007 2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.350 9.849 4.397 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.120 10.446 3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.134 11.031 4.938 1.00 0.00 H new ATOM 71 N ALA A 6 2.064 7.895 4.375 1.00 0.00 N ATOM 72 CA ALA A 6 1.191 6.812 4.815 1.00 0.00 C ATOM 73 C ALA A 6 1.730 5.477 4.317 1.00 0.00 C ATOM 74 O ALA A 6 2.605 5.446 3.453 1.00 0.00 O ATOM 75 CB ALA A 6 -0.230 7.034 4.321 1.00 0.00 C ATOM 0 H ALA A 6 1.863 8.246 3.439 1.00 0.00 H new ATOM 0 HA ALA A 6 1.171 6.798 5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.865 6.215 4.660 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.610 7.976 4.717 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.235 7.070 3.232 1.00 0.00 H new ATOM 81 N THR A 7 1.231 4.375 4.870 1.00 0.00 N ATOM 82 CA THR A 7 1.699 3.059 4.456 1.00 0.00 C ATOM 83 C THR A 7 0.570 2.034 4.403 1.00 0.00 C ATOM 84 O THR A 7 -0.221 1.885 5.348 1.00 0.00 O ATOM 85 CB THR A 7 2.812 2.567 5.373 1.00 0.00 C ATOM 86 OG1 THR A 7 3.768 3.589 5.598 1.00 0.00 O ATOM 87 CG2 THR A 7 3.542 1.363 4.820 1.00 0.00 C ATOM 0 H THR A 7 0.513 4.367 5.595 1.00 0.00 H new ATOM 0 HA THR A 7 2.092 3.167 3.445 1.00 0.00 H new ATOM 0 HB THR A 7 2.321 2.282 6.303 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.473 3.253 6.190 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.323 1.059 5.517 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.838 0.542 4.683 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.992 1.619 3.861 1.00 0.00 H new ATOM 95 N ILE A 8 0.545 1.304 3.291 1.00 0.00 N ATOM 96 CA ILE A 8 -0.467 0.292 3.024 1.00 0.00 C ATOM 97 C ILE A 8 0.193 -1.068 2.749 1.00 0.00 C ATOM 98 O ILE A 8 0.836 -1.251 1.718 1.00 0.00 O ATOM 99 CB ILE A 8 -1.307 0.717 1.803 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.705 2.197 1.912 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.530 -0.160 1.660 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.899 2.457 2.810 1.00 0.00 C ATOM 0 H ILE A 8 1.234 1.401 2.545 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.111 0.197 3.898 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.698 0.592 0.908 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.853 2.764 2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.926 2.576 0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.107 0.159 0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.221 -1.197 1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.145 -0.075 2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.113 3.526 2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.767 1.921 2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.677 2.111 3.820 1.00 0.00 H new ATOM 114 N LYS A 9 0.095 -1.991 3.710 1.00 0.00 N ATOM 115 CA LYS A 9 0.737 -3.309 3.588 1.00 0.00 C ATOM 116 C LYS A 9 -0.227 -4.377 3.080 1.00 0.00 C ATOM 117 O LYS A 9 -0.955 -4.988 3.856 1.00 0.00 O ATOM 118 CB LYS A 9 1.313 -3.746 4.932 1.00 0.00 C ATOM 119 CG LYS A 9 1.489 -2.612 5.931 1.00 0.00 C ATOM 120 CD LYS A 9 2.947 -2.240 6.106 1.00 0.00 C ATOM 121 CE LYS A 9 3.676 -3.238 6.992 1.00 0.00 C ATOM 122 NZ LYS A 9 3.808 -2.746 8.391 1.00 0.00 N ATOM 0 H LYS A 9 -0.420 -1.854 4.579 1.00 0.00 H new ATOM 0 HA LYS A 9 1.538 -3.204 2.857 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.658 -4.501 5.367 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.280 -4.221 4.764 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.929 -1.740 5.594 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.071 -2.907 6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.432 -2.196 5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.019 -1.244 6.543 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.138 -4.186 6.990 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.666 -3.433 6.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.310 -3.455 8.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.343 -1.854 8.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.862 -2.584 8.793 1.00 0.00 H new ATOM 136 N VAL A 10 -0.195 -4.627 1.782 1.00 0.00 N ATOM 137 CA VAL A 10 -1.107 -5.593 1.164 1.00 0.00 C ATOM 138 C VAL A 10 -0.472 -6.982 1.043 1.00 0.00 C ATOM 139 O VAL A 10 0.699 -7.109 0.684 1.00 0.00 O ATOM 140 CB VAL A 10 -1.586 -5.096 -0.227 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.239 -3.625 -0.420 1.00 0.00 C ATOM 142 CG2 VAL A 10 -1.011 -5.932 -1.360 1.00 0.00 C ATOM 0 H VAL A 10 0.449 -4.179 1.131 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.972 -5.679 1.821 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.670 -5.209 -0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.583 -3.296 -1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.726 -3.032 0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.159 -3.494 -0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.372 -5.549 -2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.077 -5.878 -1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.325 -6.969 -1.243 1.00 0.00 H new ATOM 152 N MET A 11 -1.251 -8.025 1.350 1.00 0.00 N ATOM 153 CA MET A 11 -0.755 -9.399 1.255 1.00 0.00 C ATOM 154 C MET A 11 -1.867 -10.387 0.858 1.00 0.00 C ATOM 155 O MET A 11 -2.882 -10.524 1.552 1.00 0.00 O ATOM 156 CB MET A 11 -0.083 -9.823 2.577 1.00 0.00 C ATOM 157 CG MET A 11 -0.981 -10.593 3.539 1.00 0.00 C ATOM 158 SD MET A 11 -0.099 -11.878 4.443 1.00 0.00 S ATOM 159 CE MET A 11 -0.529 -13.329 3.483 1.00 0.00 C ATOM 0 H MET A 11 -2.218 -7.944 1.663 1.00 0.00 H new ATOM 0 HA MET A 11 -0.008 -9.425 0.462 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.786 -10.438 2.344 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.285 -8.930 3.083 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.426 -9.896 4.249 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.800 -11.046 2.980 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.042 -14.205 3.910 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.610 -13.470 3.501 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.198 -13.195 2.453 1.00 0.00 H new ATOM 169 N PRO A 12 -1.673 -11.108 -0.266 1.00 0.00 N ATOM 170 CA PRO A 12 -2.627 -12.110 -0.765 1.00 0.00 C ATOM 171 C PRO A 12 -2.658 -13.360 0.109 1.00 0.00 C ATOM 172 O PRO A 12 -1.627 -13.987 0.353 1.00 0.00 O ATOM 173 CB PRO A 12 -2.096 -12.454 -2.169 1.00 0.00 C ATOM 174 CG PRO A 12 -1.125 -11.368 -2.483 1.00 0.00 C ATOM 175 CD PRO A 12 -0.524 -10.987 -1.163 1.00 0.00 C ATOM 0 HA PRO A 12 -3.649 -11.730 -0.766 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.614 -13.432 -2.182 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.903 -12.487 -2.901 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.360 -11.712 -3.180 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.622 -10.518 -2.950 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.290 -11.653 -0.877 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.119 -9.975 -1.175 1.00 0.00 H new ATOM 183 N GLU A 13 -3.846 -13.700 0.592 1.00 0.00 N ATOM 184 CA GLU A 13 -4.030 -14.868 1.446 1.00 0.00 C ATOM 185 C GLU A 13 -3.564 -16.143 0.754 1.00 0.00 C ATOM 186 O GLU A 13 -3.124 -17.089 1.409 1.00 0.00 O ATOM 187 CB GLU A 13 -5.501 -15.003 1.845 1.00 0.00 C ATOM 188 CG GLU A 13 -5.862 -14.238 3.108 1.00 0.00 C ATOM 189 CD GLU A 13 -7.326 -14.377 3.476 1.00 0.00 C ATOM 190 OE1 GLU A 13 -7.768 -15.515 3.733 1.00 0.00 O ATOM 191 OE2 GLU A 13 -8.031 -13.346 3.505 1.00 0.00 O ATOM 0 H GLU A 13 -4.703 -13.179 0.405 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.423 -14.725 2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.125 -14.649 1.025 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.734 -16.058 1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.248 -14.597 3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.625 -13.183 2.970 1.00 0.00 H new ATOM 198 N SER A 14 -3.693 -16.178 -0.568 1.00 0.00 N ATOM 199 CA SER A 14 -3.298 -17.349 -1.339 1.00 0.00 C ATOM 200 C SER A 14 -1.784 -17.406 -1.511 1.00 0.00 C ATOM 201 O SER A 14 -1.117 -16.372 -1.537 1.00 0.00 O ATOM 202 CB SER A 14 -3.979 -17.340 -2.709 1.00 0.00 C ATOM 203 OG SER A 14 -5.372 -17.577 -2.588 1.00 0.00 O ATOM 0 H SER A 14 -4.067 -15.410 -1.126 1.00 0.00 H new ATOM 0 HA SER A 14 -3.615 -18.235 -0.789 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.811 -16.379 -3.196 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.531 -18.103 -3.346 1.00 0.00 H new ATOM 0 HG SER A 14 -5.784 -17.565 -3.477 1.00 0.00 H new ATOM 209 N PRO A 15 -1.216 -18.621 -1.632 1.00 0.00 N ATOM 210 CA PRO A 15 0.227 -18.798 -1.811 1.00 0.00 C ATOM 211 C PRO A 15 0.705 -18.255 -3.151 1.00 0.00 C ATOM 212 O PRO A 15 1.904 -18.218 -3.426 1.00 0.00 O ATOM 213 CB PRO A 15 0.418 -20.315 -1.746 1.00 0.00 C ATOM 214 CG PRO A 15 -0.906 -20.881 -2.125 1.00 0.00 C ATOM 215 CD PRO A 15 -1.934 -19.909 -1.617 1.00 0.00 C ATOM 0 HA PRO A 15 0.802 -18.258 -1.059 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.200 -20.645 -2.430 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.713 -20.634 -0.746 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.984 -21.002 -3.206 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.050 -21.867 -1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.817 -19.886 -2.256 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.273 -20.169 -0.614 1.00 0.00 H new ATOM 223 N ASP A 16 -0.244 -17.843 -3.985 1.00 0.00 N ATOM 224 CA ASP A 16 0.074 -17.283 -5.289 1.00 0.00 C ATOM 225 C ASP A 16 0.214 -15.769 -5.197 1.00 0.00 C ATOM 226 O ASP A 16 -0.141 -15.043 -6.124 1.00 0.00 O ATOM 227 CB ASP A 16 -1.007 -17.653 -6.306 1.00 0.00 C ATOM 228 CG ASP A 16 -0.450 -18.415 -7.493 1.00 0.00 C ATOM 229 OD1 ASP A 16 0.679 -18.940 -7.385 1.00 0.00 O ATOM 230 OD2 ASP A 16 -1.142 -18.488 -8.530 1.00 0.00 O ATOM 0 H ASP A 16 -1.242 -17.888 -3.778 1.00 0.00 H new ATOM 0 HA ASP A 16 1.024 -17.701 -5.622 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.771 -18.257 -5.816 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.496 -16.745 -6.658 1.00 0.00 H new ATOM 235 N VAL A 17 0.723 -15.300 -4.060 1.00 0.00 N ATOM 236 CA VAL A 17 0.913 -13.872 -3.840 1.00 0.00 C ATOM 237 C VAL A 17 2.003 -13.335 -4.775 1.00 0.00 C ATOM 238 O VAL A 17 3.193 -13.330 -4.450 1.00 0.00 O ATOM 239 CB VAL A 17 1.216 -13.544 -2.349 1.00 0.00 C ATOM 240 CG1 VAL A 17 1.681 -14.777 -1.602 1.00 0.00 C ATOM 241 CG2 VAL A 17 2.211 -12.397 -2.186 1.00 0.00 C ATOM 0 H VAL A 17 1.010 -15.889 -3.279 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.023 -13.366 -4.078 1.00 0.00 H new ATOM 0 HB VAL A 17 0.277 -13.208 -1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.885 -14.518 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.903 -15.540 -1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.590 -15.162 -2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.384 -12.213 -1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.153 -12.661 -2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.807 -11.497 -2.649 1.00 0.00 H new ATOM 251 N ASP A 18 1.593 -13.003 -5.993 1.00 0.00 N ATOM 252 CA ASP A 18 2.503 -12.456 -6.992 1.00 0.00 C ATOM 253 C ASP A 18 2.894 -11.032 -6.623 1.00 0.00 C ATOM 254 O ASP A 18 2.066 -10.127 -6.669 1.00 0.00 O ATOM 255 CB ASP A 18 1.854 -12.483 -8.375 1.00 0.00 C ATOM 256 CG ASP A 18 1.759 -13.885 -8.947 1.00 0.00 C ATOM 257 OD1 ASP A 18 1.826 -14.854 -8.160 1.00 0.00 O ATOM 258 OD2 ASP A 18 1.614 -14.015 -10.180 1.00 0.00 O ATOM 0 H ASP A 18 0.630 -13.104 -6.314 1.00 0.00 H new ATOM 0 HA ASP A 18 3.402 -13.072 -7.018 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.855 -12.052 -8.312 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.430 -11.855 -9.055 1.00 0.00 H new ATOM 263 N LEU A 19 4.142 -10.848 -6.207 1.00 0.00 N ATOM 264 CA LEU A 19 4.622 -9.528 -5.817 1.00 0.00 C ATOM 265 C LEU A 19 4.595 -8.570 -7.003 1.00 0.00 C ATOM 266 O LEU A 19 4.114 -7.445 -6.889 1.00 0.00 O ATOM 267 CB LEU A 19 6.033 -9.618 -5.218 1.00 0.00 C ATOM 268 CG LEU A 19 7.190 -9.431 -6.203 1.00 0.00 C ATOM 269 CD1 LEU A 19 7.685 -7.992 -6.177 1.00 0.00 C ATOM 270 CD2 LEU A 19 8.324 -10.393 -5.882 1.00 0.00 C ATOM 0 H LEU A 19 4.836 -11.592 -6.131 1.00 0.00 H new ATOM 0 HA LEU A 19 3.953 -9.135 -5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.123 -8.866 -4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.142 -10.591 -4.739 1.00 0.00 H new ATOM 0 HG LEU A 19 6.827 -9.651 -7.207 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.507 -7.877 -6.883 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.871 -7.322 -6.456 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.031 -7.744 -5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.138 -10.246 -6.592 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.686 -10.205 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.962 -11.419 -5.952 1.00 0.00 H new ATOM 282 N GLU A 20 5.042 -9.051 -8.158 1.00 0.00 N ATOM 283 CA GLU A 20 5.086 -8.226 -9.358 1.00 0.00 C ATOM 284 C GLU A 20 3.685 -7.920 -9.848 1.00 0.00 C ATOM 285 O GLU A 20 3.405 -6.801 -10.281 1.00 0.00 O ATOM 286 CB GLU A 20 5.887 -8.928 -10.457 1.00 0.00 C ATOM 287 CG GLU A 20 5.880 -8.188 -11.786 1.00 0.00 C ATOM 288 CD GLU A 20 6.450 -6.788 -11.679 1.00 0.00 C ATOM 289 OE1 GLU A 20 7.557 -6.638 -11.122 1.00 0.00 O ATOM 290 OE2 GLU A 20 5.789 -5.840 -12.152 1.00 0.00 O ATOM 0 H GLU A 20 5.378 -10.005 -8.288 1.00 0.00 H new ATOM 0 HA GLU A 20 5.579 -7.286 -9.109 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.918 -9.048 -10.123 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.482 -9.929 -10.606 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.457 -8.756 -12.516 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.858 -8.132 -12.161 1.00 0.00 H new ATOM 297 N ALA A 21 2.800 -8.901 -9.768 1.00 0.00 N ATOM 298 CA ALA A 21 1.422 -8.681 -10.171 1.00 0.00 C ATOM 299 C ALA A 21 0.734 -7.762 -9.180 1.00 0.00 C ATOM 300 O ALA A 21 -0.088 -6.928 -9.545 1.00 0.00 O ATOM 301 CB ALA A 21 0.674 -9.996 -10.304 1.00 0.00 C ATOM 0 H ALA A 21 3.007 -9.842 -9.433 1.00 0.00 H new ATOM 0 HA ALA A 21 1.419 -8.203 -11.151 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.355 -9.800 -10.607 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.161 -10.617 -11.055 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.678 -10.515 -9.346 1.00 0.00 H new ATOM 307 N LEU A 22 1.081 -7.922 -7.918 1.00 0.00 N ATOM 308 CA LEU A 22 0.542 -7.072 -6.875 1.00 0.00 C ATOM 309 C LEU A 22 1.044 -5.655 -7.068 1.00 0.00 C ATOM 310 O LEU A 22 0.336 -4.687 -6.804 1.00 0.00 O ATOM 311 CB LEU A 22 0.957 -7.600 -5.500 1.00 0.00 C ATOM 312 CG LEU A 22 0.019 -7.266 -4.331 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.392 -6.944 -4.815 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.010 -8.417 -3.343 1.00 0.00 C ATOM 0 H LEU A 22 1.734 -8.633 -7.590 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.546 -7.076 -6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.051 -8.684 -5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.947 -7.207 -5.267 1.00 0.00 H new ATOM 0 HG LEU A 22 0.406 -6.376 -3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.026 -6.713 -3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.360 -6.085 -5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.799 -7.804 -5.347 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.678 -8.171 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.368 -9.317 -3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.995 -8.591 -2.958 1.00 0.00 H new ATOM 326 N LYS A 23 2.270 -5.558 -7.560 1.00 0.00 N ATOM 327 CA LYS A 23 2.907 -4.277 -7.802 1.00 0.00 C ATOM 328 C LYS A 23 2.093 -3.436 -8.775 1.00 0.00 C ATOM 329 O LYS A 23 1.895 -2.240 -8.561 1.00 0.00 O ATOM 330 CB LYS A 23 4.316 -4.499 -8.350 1.00 0.00 C ATOM 331 CG LYS A 23 5.411 -4.137 -7.361 1.00 0.00 C ATOM 332 CD LYS A 23 6.555 -3.402 -8.036 1.00 0.00 C ATOM 333 CE LYS A 23 7.850 -4.193 -7.950 1.00 0.00 C ATOM 334 NZ LYS A 23 8.924 -3.425 -7.262 1.00 0.00 N ATOM 0 H LYS A 23 2.848 -6.363 -7.801 1.00 0.00 H new ATOM 0 HA LYS A 23 2.966 -3.736 -6.857 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.426 -5.545 -8.636 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.444 -3.906 -9.255 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.995 -3.514 -6.569 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.789 -5.044 -6.888 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.306 -3.221 -9.082 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.690 -2.427 -7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.671 -5.126 -7.415 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.180 -4.459 -8.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.791 -3.999 -7.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.113 -2.547 -7.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.620 -3.192 -6.295 1.00 0.00 H new ATOM 348 N LYS A 24 1.648 -4.062 -9.858 1.00 0.00 N ATOM 349 CA LYS A 24 0.843 -3.370 -10.852 1.00 0.00 C ATOM 350 C LYS A 24 -0.524 -3.033 -10.284 1.00 0.00 C ATOM 351 O LYS A 24 -1.065 -1.952 -10.524 1.00 0.00 O ATOM 352 CB LYS A 24 0.708 -4.230 -12.106 1.00 0.00 C ATOM 353 CG LYS A 24 -0.069 -5.515 -11.898 1.00 0.00 C ATOM 354 CD LYS A 24 -0.561 -6.093 -13.215 1.00 0.00 C ATOM 355 CE LYS A 24 0.175 -7.374 -13.573 1.00 0.00 C ATOM 356 NZ LYS A 24 0.926 -7.244 -14.852 1.00 0.00 N ATOM 0 H LYS A 24 1.831 -5.043 -10.068 1.00 0.00 H new ATOM 0 HA LYS A 24 1.340 -2.438 -11.121 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.218 -3.644 -12.884 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.704 -4.476 -12.473 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.564 -6.245 -11.394 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.920 -5.324 -11.244 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.630 -6.293 -13.148 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.423 -5.359 -14.009 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.866 -7.632 -12.771 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.540 -8.193 -13.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.414 -8.138 -15.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.264 -7.023 -15.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.626 -6.479 -14.767 1.00 0.00 H new ATOM 370 N GLU A 25 -1.072 -3.970 -9.523 1.00 0.00 N ATOM 371 CA GLU A 25 -2.371 -3.774 -8.891 1.00 0.00 C ATOM 372 C GLU A 25 -2.289 -2.665 -7.850 1.00 0.00 C ATOM 373 O GLU A 25 -3.272 -1.979 -7.572 1.00 0.00 O ATOM 374 CB GLU A 25 -2.847 -5.073 -8.237 1.00 0.00 C ATOM 375 CG GLU A 25 -3.239 -6.149 -9.237 1.00 0.00 C ATOM 376 CD GLU A 25 -4.696 -6.062 -9.648 1.00 0.00 C ATOM 377 OE1 GLU A 25 -5.488 -5.441 -8.907 1.00 0.00 O ATOM 378 OE2 GLU A 25 -5.047 -6.615 -10.712 1.00 0.00 O ATOM 0 H GLU A 25 -0.639 -4.873 -9.328 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.089 -3.485 -9.658 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.056 -5.457 -7.594 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.701 -4.856 -7.596 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.610 -6.063 -10.123 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.046 -7.130 -8.803 1.00 0.00 H new ATOM 385 N ILE A 26 -1.105 -2.516 -7.270 1.00 0.00 N ATOM 386 CA ILE A 26 -0.862 -1.497 -6.258 1.00 0.00 C ATOM 387 C ILE A 26 -1.062 -0.098 -6.833 1.00 0.00 C ATOM 388 O ILE A 26 -1.670 0.761 -6.198 1.00 0.00 O ATOM 389 CB ILE A 26 0.562 -1.627 -5.671 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.547 -2.584 -4.477 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.114 -0.270 -5.256 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.795 -3.432 -4.363 1.00 0.00 C ATOM 0 H ILE A 26 -0.292 -3.093 -7.486 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.584 -1.651 -5.456 1.00 0.00 H new ATOM 0 HB ILE A 26 1.216 -2.029 -6.445 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.426 -2.006 -3.561 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.321 -3.239 -4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.117 -0.395 -4.847 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.156 0.387 -6.125 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.465 0.170 -4.499 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.713 -4.085 -3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.907 -4.037 -5.263 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.665 -2.785 -4.250 1.00 0.00 H new ATOM 404 N GLN A 27 -0.531 0.129 -8.027 1.00 0.00 N ATOM 405 CA GLN A 27 -0.660 1.426 -8.678 1.00 0.00 C ATOM 406 C GLN A 27 -2.128 1.774 -8.890 1.00 0.00 C ATOM 407 O GLN A 27 -2.527 2.935 -8.781 1.00 0.00 O ATOM 408 CB GLN A 27 0.071 1.421 -10.022 1.00 0.00 C ATOM 409 CG GLN A 27 1.509 0.936 -9.936 1.00 0.00 C ATOM 410 CD GLN A 27 2.499 1.952 -10.472 1.00 0.00 C ATOM 411 OE1 GLN A 27 2.503 2.261 -11.663 1.00 0.00 O ATOM 412 NE2 GLN A 27 3.341 2.479 -9.592 1.00 0.00 N ATOM 0 H GLN A 27 -0.009 -0.565 -8.563 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.210 2.179 -8.031 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.475 0.787 -10.720 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.062 2.430 -10.434 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.751 0.711 -8.897 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.609 0.006 -10.496 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.301 2.193 -8.614 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.028 3.170 -9.894 1.00 0.00 H new ATOM 421 N GLU A 28 -2.926 0.757 -9.203 1.00 0.00 N ATOM 422 CA GLU A 28 -4.351 0.946 -9.456 1.00 0.00 C ATOM 423 C GLU A 28 -5.129 1.167 -8.162 1.00 0.00 C ATOM 424 O GLU A 28 -6.215 1.747 -8.175 1.00 0.00 O ATOM 425 CB GLU A 28 -4.917 -0.268 -10.197 1.00 0.00 C ATOM 426 CG GLU A 28 -4.000 -0.794 -11.287 1.00 0.00 C ATOM 427 CD GLU A 28 -4.573 -2.003 -11.999 1.00 0.00 C ATOM 428 OE1 GLU A 28 -5.651 -1.872 -12.617 1.00 0.00 O ATOM 429 OE2 GLU A 28 -3.944 -3.080 -11.941 1.00 0.00 O ATOM 0 H GLU A 28 -2.609 -0.209 -9.288 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.462 1.838 -10.072 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.109 -1.065 -9.479 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.877 0.001 -10.639 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.815 -0.003 -12.014 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.037 -1.057 -10.850 1.00 0.00 H new ATOM 436 N ARG A 29 -4.581 0.689 -7.050 1.00 0.00 N ATOM 437 CA ARG A 29 -5.248 0.814 -5.760 1.00 0.00 C ATOM 438 C ARG A 29 -4.892 2.130 -5.070 1.00 0.00 C ATOM 439 O ARG A 29 -5.544 2.527 -4.105 1.00 0.00 O ATOM 440 CB ARG A 29 -4.886 -0.374 -4.864 1.00 0.00 C ATOM 441 CG ARG A 29 -3.512 -0.257 -4.231 1.00 0.00 C ATOM 442 CD ARG A 29 -3.506 -0.746 -2.793 1.00 0.00 C ATOM 443 NE ARG A 29 -2.893 0.230 -1.897 1.00 0.00 N ATOM 444 CZ ARG A 29 -1.616 0.598 -1.969 1.00 0.00 C ATOM 445 NH1 ARG A 29 -0.816 0.060 -2.881 1.00 0.00 N ATOM 446 NH2 ARG A 29 -1.136 1.501 -1.127 1.00 0.00 N ATOM 0 H ARG A 29 -3.680 0.213 -7.016 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.324 0.814 -5.936 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.634 -0.466 -4.076 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.929 -1.290 -5.453 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.794 -0.834 -4.813 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.186 0.782 -4.262 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.528 -0.945 -2.471 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.963 -1.689 -2.731 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.476 0.654 -1.175 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.179 -0.638 -3.530 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.162 0.345 -2.933 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.745 1.916 -0.422 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.157 1.782 -1.184 1.00 0.00 H new ATOM 460 N ILE A 30 -3.850 2.801 -5.562 1.00 0.00 N ATOM 461 CA ILE A 30 -3.432 4.080 -4.991 1.00 0.00 C ATOM 462 C ILE A 30 -4.576 5.093 -5.054 1.00 0.00 C ATOM 463 O ILE A 30 -5.278 5.176 -6.063 1.00 0.00 O ATOM 464 CB ILE A 30 -2.202 4.655 -5.728 1.00 0.00 C ATOM 465 CG1 ILE A 30 -1.059 3.634 -5.739 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.744 5.963 -5.090 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.519 3.301 -4.363 1.00 0.00 C ATOM 0 H ILE A 30 -3.284 2.483 -6.349 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.160 3.897 -3.951 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.492 4.865 -6.758 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.409 2.717 -6.213 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.246 4.020 -6.354 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.877 6.346 -5.628 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.552 6.693 -5.137 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.475 5.785 -4.049 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.286 2.572 -4.455 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.137 4.207 -3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.318 2.884 -3.750 1.00 0.00 H new ATOM 479 N PRO A 31 -4.800 5.865 -3.973 1.00 0.00 N ATOM 480 CA PRO A 31 -5.881 6.857 -3.926 1.00 0.00 C ATOM 481 C PRO A 31 -5.760 7.904 -5.024 1.00 0.00 C ATOM 482 O PRO A 31 -4.691 8.473 -5.248 1.00 0.00 O ATOM 483 CB PRO A 31 -5.731 7.507 -2.550 1.00 0.00 C ATOM 484 CG PRO A 31 -4.345 7.181 -2.116 1.00 0.00 C ATOM 485 CD PRO A 31 -4.030 5.842 -2.718 1.00 0.00 C ATOM 0 HA PRO A 31 -6.854 6.391 -4.082 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.884 8.585 -2.604 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.466 7.116 -1.847 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.640 7.939 -2.458 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.274 7.147 -1.029 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.962 5.720 -2.900 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.338 5.023 -2.068 1.00 0.00 H new ATOM 493 N GLU A 32 -6.867 8.132 -5.717 1.00 0.00 N ATOM 494 CA GLU A 32 -6.926 9.110 -6.801 1.00 0.00 C ATOM 495 C GLU A 32 -6.613 10.526 -6.312 1.00 0.00 C ATOM 496 O GLU A 32 -6.633 11.476 -7.095 1.00 0.00 O ATOM 497 CB GLU A 32 -8.307 9.082 -7.458 1.00 0.00 C ATOM 498 CG GLU A 32 -8.414 8.093 -8.607 1.00 0.00 C ATOM 499 CD GLU A 32 -8.195 6.659 -8.165 1.00 0.00 C ATOM 500 OE1 GLU A 32 -8.688 6.290 -7.079 1.00 0.00 O ATOM 501 OE2 GLU A 32 -7.528 5.905 -8.906 1.00 0.00 O ATOM 0 H GLU A 32 -7.748 7.647 -5.547 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.165 8.835 -7.532 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.054 8.833 -6.704 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.546 10.080 -7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.398 8.181 -9.067 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.681 8.350 -9.372 1.00 0.00 H new ATOM 508 N GLY A 33 -6.330 10.666 -5.020 1.00 0.00 N ATOM 509 CA GLY A 33 -6.044 11.975 -4.462 1.00 0.00 C ATOM 510 C GLY A 33 -4.606 12.401 -4.677 1.00 0.00 C ATOM 511 O GLY A 33 -4.346 13.435 -5.292 1.00 0.00 O ATOM 0 H GLY A 33 -6.294 9.897 -4.351 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.708 12.711 -4.915 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.260 11.965 -3.394 1.00 0.00 H new ATOM 515 N THR A 34 -3.669 11.608 -4.168 1.00 0.00 N ATOM 516 CA THR A 34 -2.250 11.917 -4.313 1.00 0.00 C ATOM 517 C THR A 34 -1.533 10.825 -5.105 1.00 0.00 C ATOM 518 O THR A 34 -2.092 10.262 -6.045 1.00 0.00 O ATOM 519 CB THR A 34 -1.604 12.091 -2.936 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.583 12.404 -1.961 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.554 13.180 -2.900 1.00 0.00 C ATOM 0 H THR A 34 -3.865 10.750 -3.653 1.00 0.00 H new ATOM 0 HA THR A 34 -2.157 12.852 -4.866 1.00 0.00 H new ATOM 0 HB THR A 34 -1.121 11.138 -2.720 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.151 12.816 -1.184 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.137 13.250 -1.895 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.241 12.943 -3.607 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.009 14.133 -3.171 1.00 0.00 H new ATOM 529 N GLU A 35 -0.293 10.533 -4.724 1.00 0.00 N ATOM 530 CA GLU A 35 0.496 9.512 -5.402 1.00 0.00 C ATOM 531 C GLU A 35 1.224 8.635 -4.392 1.00 0.00 C ATOM 532 O GLU A 35 1.294 8.961 -3.207 1.00 0.00 O ATOM 533 CB GLU A 35 1.503 10.162 -6.352 1.00 0.00 C ATOM 534 CG GLU A 35 0.880 10.687 -7.637 1.00 0.00 C ATOM 535 CD GLU A 35 0.130 9.615 -8.404 1.00 0.00 C ATOM 536 OE1 GLU A 35 0.730 8.556 -8.685 1.00 0.00 O ATOM 537 OE2 GLU A 35 -1.055 9.837 -8.727 1.00 0.00 O ATOM 0 H GLU A 35 0.187 10.990 -3.948 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.183 8.885 -5.980 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.998 10.985 -5.836 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.274 9.434 -6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.197 11.502 -7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.662 11.102 -8.272 1.00 0.00 H new ATOM 544 N LEU A 36 1.769 7.524 -4.871 1.00 0.00 N ATOM 545 CA LEU A 36 2.479 6.589 -4.007 1.00 0.00 C ATOM 546 C LEU A 36 3.857 7.130 -3.625 1.00 0.00 C ATOM 547 O LEU A 36 4.190 8.276 -3.923 1.00 0.00 O ATOM 548 CB LEU A 36 2.607 5.221 -4.689 1.00 0.00 C ATOM 549 CG LEU A 36 3.681 5.110 -5.779 1.00 0.00 C ATOM 550 CD1 LEU A 36 3.706 3.700 -6.351 1.00 0.00 C ATOM 551 CD2 LEU A 36 3.443 6.127 -6.887 1.00 0.00 C ATOM 0 H LEU A 36 1.733 7.248 -5.852 1.00 0.00 H new ATOM 0 HA LEU A 36 1.900 6.469 -3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.816 4.474 -3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.643 4.965 -5.129 1.00 0.00 H new ATOM 0 HG LEU A 36 4.649 5.325 -5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.472 3.634 -7.123 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.930 2.989 -5.556 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.733 3.466 -6.784 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.219 6.026 -7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.467 5.950 -7.340 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.473 7.133 -6.470 1.00 0.00 H new ATOM 563 N HIS A 37 4.629 6.316 -2.908 1.00 0.00 N ATOM 564 CA HIS A 37 5.961 6.714 -2.463 1.00 0.00 C ATOM 565 C HIS A 37 6.993 5.636 -2.771 1.00 0.00 C ATOM 566 O HIS A 37 7.761 5.747 -3.726 1.00 0.00 O ATOM 567 CB HIS A 37 5.953 6.990 -0.962 1.00 0.00 C ATOM 568 CG HIS A 37 7.246 7.543 -0.449 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.638 8.832 -0.723 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.198 6.941 0.301 1.00 0.00 C ATOM 571 CE1 HIS A 37 8.809 8.988 -0.131 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.188 7.868 0.501 1.00 0.00 N ATOM 0 H HIS A 37 4.354 5.376 -2.623 1.00 0.00 H new ATOM 0 HA HIS A 37 6.234 7.620 -3.003 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.151 7.692 -0.734 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.727 6.065 -0.432 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.181 5.926 0.671 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.386 9.900 -0.153 1.00 0.00 H new ATOM 0 HE2 HIS A 37 10.049 7.732 1.030 1.00 0.00 H new ATOM 580 N LYS A 38 6.968 4.577 -1.966 1.00 0.00 N ATOM 581 CA LYS A 38 7.909 3.471 -2.096 1.00 0.00 C ATOM 582 C LYS A 38 7.348 2.226 -1.421 1.00 0.00 C ATOM 583 O LYS A 38 6.859 2.288 -0.293 1.00 0.00 O ATOM 584 CB LYS A 38 9.250 3.833 -1.450 1.00 0.00 C ATOM 585 CG LYS A 38 10.085 4.823 -2.249 1.00 0.00 C ATOM 586 CD LYS A 38 10.450 4.273 -3.619 1.00 0.00 C ATOM 587 CE LYS A 38 11.799 4.797 -4.087 1.00 0.00 C ATOM 588 NZ LYS A 38 11.828 6.284 -4.148 1.00 0.00 N ATOM 0 H LYS A 38 6.296 4.463 -1.207 1.00 0.00 H new ATOM 0 HA LYS A 38 8.063 3.274 -3.157 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.062 4.250 -0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.829 2.920 -1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.531 5.755 -2.366 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.995 5.060 -1.698 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.475 3.184 -3.581 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.681 4.549 -4.340 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.579 4.446 -3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.025 4.389 -5.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.705 6.595 -4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.009 6.625 -4.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.791 6.672 -3.184 1.00 0.00 H new ATOM 602 N ILE A 39 7.402 1.101 -2.124 1.00 0.00 N ATOM 603 CA ILE A 39 6.855 -0.146 -1.607 1.00 0.00 C ATOM 604 C ILE A 39 7.912 -0.980 -0.889 1.00 0.00 C ATOM 605 O ILE A 39 9.113 -0.775 -1.072 1.00 0.00 O ATOM 606 CB ILE A 39 6.221 -0.977 -2.733 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.482 -0.052 -3.712 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.280 -2.015 -2.140 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.453 -0.752 -4.576 1.00 0.00 C ATOM 0 H ILE A 39 7.819 1.027 -3.052 1.00 0.00 H new ATOM 0 HA ILE A 39 6.086 0.125 -0.883 1.00 0.00 H new ATOM 0 HB ILE A 39 7.002 -1.501 -3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.987 0.737 -3.145 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.214 0.432 -4.359 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.833 -2.602 -2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.838 -2.675 -1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.494 -1.513 -1.576 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.979 -0.027 -5.237 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.942 -1.522 -5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.697 -1.212 -3.940 1.00 0.00 H new ATOM 621 N ASP A 40 7.450 -1.920 -0.064 1.00 0.00 N ATOM 622 CA ASP A 40 8.341 -2.774 0.712 1.00 0.00 C ATOM 623 C ASP A 40 8.014 -4.250 0.517 1.00 0.00 C ATOM 624 O ASP A 40 6.898 -4.686 0.792 1.00 0.00 O ATOM 625 CB ASP A 40 8.220 -2.433 2.193 1.00 0.00 C ATOM 626 CG ASP A 40 9.567 -2.350 2.883 1.00 0.00 C ATOM 627 OD1 ASP A 40 10.215 -1.287 2.792 1.00 0.00 O ATOM 628 OD2 ASP A 40 9.975 -3.348 3.514 1.00 0.00 O ATOM 0 H ASP A 40 6.458 -2.108 0.082 1.00 0.00 H new ATOM 0 HA ASP A 40 9.358 -2.596 0.362 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.701 -1.481 2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.608 -3.188 2.687 1.00 0.00 H new ATOM 633 N GLU A 41 9.000 -5.026 0.086 1.00 0.00 N ATOM 634 CA GLU A 41 8.812 -6.459 -0.103 1.00 0.00 C ATOM 635 C GLU A 41 9.044 -7.211 1.207 1.00 0.00 C ATOM 636 O GLU A 41 10.055 -7.896 1.373 1.00 0.00 O ATOM 637 CB GLU A 41 9.758 -6.981 -1.187 1.00 0.00 C ATOM 638 CG GLU A 41 9.782 -6.119 -2.440 1.00 0.00 C ATOM 639 CD GLU A 41 11.008 -6.366 -3.297 1.00 0.00 C ATOM 640 OE1 GLU A 41 11.338 -7.548 -3.537 1.00 0.00 O ATOM 641 OE2 GLU A 41 11.639 -5.379 -3.729 1.00 0.00 O ATOM 0 H GLU A 41 9.936 -4.689 -0.139 1.00 0.00 H new ATOM 0 HA GLU A 41 7.784 -6.631 -0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.767 -7.042 -0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.462 -7.994 -1.459 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.886 -6.316 -3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.750 -5.068 -2.154 1.00 0.00 H new ATOM 648 N GLU A 42 8.112 -7.056 2.146 1.00 0.00 N ATOM 649 CA GLU A 42 8.209 -7.719 3.446 1.00 0.00 C ATOM 650 C GLU A 42 7.358 -8.983 3.472 1.00 0.00 C ATOM 651 O GLU A 42 6.225 -8.978 3.002 1.00 0.00 O ATOM 652 CB GLU A 42 7.766 -6.769 4.560 1.00 0.00 C ATOM 653 CG GLU A 42 8.915 -6.249 5.407 1.00 0.00 C ATOM 654 CD GLU A 42 8.505 -5.975 6.840 1.00 0.00 C ATOM 655 OE1 GLU A 42 8.324 -6.947 7.602 1.00 0.00 O ATOM 656 OE2 GLU A 42 8.364 -4.787 7.201 1.00 0.00 O ATOM 0 H GLU A 42 7.280 -6.477 2.031 1.00 0.00 H new ATOM 0 HA GLU A 42 9.250 -7.998 3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.240 -5.923 4.117 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.054 -7.285 5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.727 -6.977 5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.304 -5.333 4.963 1.00 0.00 H new ATOM 663 N PRO A 43 7.889 -10.090 4.023 1.00 0.00 N ATOM 664 CA PRO A 43 7.177 -11.359 4.079 1.00 0.00 C ATOM 665 C PRO A 43 6.302 -11.492 5.316 1.00 0.00 C ATOM 666 O PRO A 43 6.513 -10.813 6.320 1.00 0.00 O ATOM 667 CB PRO A 43 8.306 -12.385 4.096 1.00 0.00 C ATOM 668 CG PRO A 43 9.475 -11.685 4.719 1.00 0.00 C ATOM 669 CD PRO A 43 9.232 -10.196 4.609 1.00 0.00 C ATOM 0 HA PRO A 43 6.484 -11.477 3.246 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.025 -13.268 4.671 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.543 -12.724 3.088 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.584 -11.978 5.763 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.400 -11.960 4.212 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.280 -9.712 5.584 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.980 -9.716 3.978 1.00 0.00 H new ATOM 677 N ILE A 44 5.299 -12.359 5.217 1.00 0.00 N ATOM 678 CA ILE A 44 4.348 -12.559 6.302 1.00 0.00 C ATOM 679 C ILE A 44 4.262 -14.028 6.704 1.00 0.00 C ATOM 680 O ILE A 44 4.892 -14.454 7.672 1.00 0.00 O ATOM 681 CB ILE A 44 2.947 -12.062 5.896 1.00 0.00 C ATOM 682 CG1 ILE A 44 3.064 -10.860 4.948 1.00 0.00 C ATOM 683 CG2 ILE A 44 2.132 -11.701 7.130 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.707 -9.641 5.581 1.00 0.00 C ATOM 0 H ILE A 44 5.125 -12.935 4.394 1.00 0.00 H new ATOM 0 HA ILE A 44 4.706 -11.983 7.155 1.00 0.00 H new ATOM 0 HB ILE A 44 2.429 -12.865 5.371 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.646 -11.154 4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.069 -10.591 4.593 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.145 -11.352 6.825 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.025 -12.580 7.766 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.641 -10.912 7.684 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.755 -8.834 4.850 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.114 -9.320 6.438 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.715 -9.891 5.911 1.00 0.00 H new ATOM 696 N ALA A 45 3.465 -14.793 5.964 1.00 0.00 N ATOM 697 CA ALA A 45 3.290 -16.215 6.241 1.00 0.00 C ATOM 698 C ALA A 45 4.578 -16.991 5.975 1.00 0.00 C ATOM 699 O ALA A 45 5.678 -16.451 6.106 1.00 0.00 O ATOM 700 CB ALA A 45 2.144 -16.776 5.411 1.00 0.00 C ATOM 0 H ALA A 45 2.929 -14.451 5.166 1.00 0.00 H new ATOM 0 HA ALA A 45 3.046 -16.329 7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.024 -17.838 5.627 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.223 -16.249 5.659 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.363 -16.644 4.352 1.00 0.00 H new ATOM 706 N PHE A 46 4.438 -18.256 5.591 1.00 0.00 N ATOM 707 CA PHE A 46 5.591 -19.098 5.299 1.00 0.00 C ATOM 708 C PHE A 46 6.256 -18.664 3.998 1.00 0.00 C ATOM 709 O PHE A 46 7.474 -18.768 3.845 1.00 0.00 O ATOM 710 CB PHE A 46 5.170 -20.569 5.213 1.00 0.00 C ATOM 711 CG PHE A 46 4.318 -20.889 4.015 1.00 0.00 C ATOM 712 CD1 PHE A 46 2.955 -20.637 4.028 1.00 0.00 C ATOM 713 CD2 PHE A 46 4.882 -21.447 2.878 1.00 0.00 C ATOM 714 CE1 PHE A 46 2.171 -20.933 2.928 1.00 0.00 C ATOM 715 CE2 PHE A 46 4.103 -21.743 1.775 1.00 0.00 C ATOM 716 CZ PHE A 46 2.746 -21.486 1.801 1.00 0.00 C ATOM 0 H PHE A 46 3.537 -18.720 5.475 1.00 0.00 H new ATOM 0 HA PHE A 46 6.311 -18.987 6.110 1.00 0.00 H new ATOM 0 HB2 PHE A 46 6.064 -21.192 5.188 1.00 0.00 H new ATOM 0 HB3 PHE A 46 4.622 -20.834 6.117 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.500 -20.205 4.907 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.942 -21.653 2.854 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.110 -20.732 2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.555 -22.175 0.894 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.135 -21.717 0.941 1.00 0.00 H new ATOM 726 N GLY A 47 5.450 -18.152 3.073 1.00 0.00 N ATOM 727 CA GLY A 47 5.973 -17.702 1.798 1.00 0.00 C ATOM 728 C GLY A 47 5.148 -16.585 1.186 1.00 0.00 C ATOM 729 O GLY A 47 5.390 -16.182 0.049 1.00 0.00 O ATOM 0 H GLY A 47 4.442 -18.041 3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.999 -17.359 1.932 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.006 -18.544 1.106 1.00 0.00 H new ATOM 733 N LEU A 48 4.170 -16.084 1.939 1.00 0.00 N ATOM 734 CA LEU A 48 3.317 -15.003 1.458 1.00 0.00 C ATOM 735 C LEU A 48 3.894 -13.646 1.845 1.00 0.00 C ATOM 736 O LEU A 48 3.767 -13.210 2.988 1.00 0.00 O ATOM 737 CB LEU A 48 1.893 -15.147 2.007 1.00 0.00 C ATOM 738 CG LEU A 48 1.336 -16.576 2.055 1.00 0.00 C ATOM 739 CD1 LEU A 48 -0.182 -16.552 2.172 1.00 0.00 C ATOM 740 CD2 LEU A 48 1.760 -17.371 0.827 1.00 0.00 C ATOM 0 H LEU A 48 3.951 -16.409 2.881 1.00 0.00 H new ATOM 0 HA LEU A 48 3.277 -15.067 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.869 -14.734 3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.226 -14.538 1.397 1.00 0.00 H new ATOM 0 HG LEU A 48 1.748 -17.068 2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.561 -17.574 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.468 -16.029 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.605 -16.036 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.351 -18.380 0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.385 -16.881 -0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.848 -17.422 0.785 1.00 0.00 H new ATOM 752 N VAL A 49 4.521 -12.982 0.879 1.00 0.00 N ATOM 753 CA VAL A 49 5.149 -11.690 1.120 1.00 0.00 C ATOM 754 C VAL A 49 4.211 -10.531 0.799 1.00 0.00 C ATOM 755 O VAL A 49 3.662 -10.446 -0.300 1.00 0.00 O ATOM 756 CB VAL A 49 6.441 -11.536 0.288 1.00 0.00 C ATOM 757 CG1 VAL A 49 7.013 -10.131 0.418 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.468 -12.577 0.705 1.00 0.00 C ATOM 0 H VAL A 49 4.607 -13.319 -0.080 1.00 0.00 H new ATOM 0 HA VAL A 49 5.392 -11.658 2.182 1.00 0.00 H new ATOM 0 HB VAL A 49 6.191 -11.698 -0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.922 -10.052 -0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.281 -9.406 0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.246 -9.928 1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.373 -12.455 0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.709 -12.448 1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.060 -13.575 0.545 1.00 0.00 H new ATOM 768 N ALA A 50 4.090 -9.607 1.746 1.00 0.00 N ATOM 769 CA ALA A 50 3.258 -8.425 1.571 1.00 0.00 C ATOM 770 C ALA A 50 4.087 -7.245 1.089 1.00 0.00 C ATOM 771 O ALA A 50 5.296 -7.187 1.311 1.00 0.00 O ATOM 772 CB ALA A 50 2.571 -8.061 2.877 1.00 0.00 C ATOM 0 H ALA A 50 4.562 -9.656 2.649 1.00 0.00 H new ATOM 0 HA ALA A 50 2.504 -8.656 0.819 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.953 -7.175 2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.943 -8.891 3.202 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.323 -7.855 3.639 1.00 0.00 H new ATOM 778 N LEU A 51 3.425 -6.301 0.437 1.00 0.00 N ATOM 779 CA LEU A 51 4.090 -5.111 -0.066 1.00 0.00 C ATOM 780 C LEU A 51 3.580 -3.872 0.658 1.00 0.00 C ATOM 781 O LEU A 51 2.395 -3.546 0.593 1.00 0.00 O ATOM 782 CB LEU A 51 3.857 -4.980 -1.572 1.00 0.00 C ATOM 783 CG LEU A 51 4.817 -5.791 -2.448 1.00 0.00 C ATOM 784 CD1 LEU A 51 4.654 -7.280 -2.180 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.586 -5.482 -3.920 1.00 0.00 C ATOM 0 H LEU A 51 2.424 -6.338 0.244 1.00 0.00 H new ATOM 0 HA LEU A 51 5.160 -5.202 0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.836 -5.290 -1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.938 -3.928 -1.847 1.00 0.00 H new ATOM 0 HG LEU A 51 5.839 -5.507 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.344 -7.841 -2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.871 -7.487 -1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.631 -7.580 -2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.277 -6.067 -4.527 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.561 -5.737 -4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.755 -4.420 -4.100 1.00 0.00 H new ATOM 797 N ASN A 52 4.481 -3.191 1.354 1.00 0.00 N ATOM 798 CA ASN A 52 4.124 -1.990 2.093 1.00 0.00 C ATOM 799 C ASN A 52 4.282 -0.767 1.208 1.00 0.00 C ATOM 800 O ASN A 52 5.361 -0.180 1.116 1.00 0.00 O ATOM 801 CB ASN A 52 4.998 -1.853 3.341 1.00 0.00 C ATOM 802 CG ASN A 52 5.306 -3.191 3.989 1.00 0.00 C ATOM 803 OD1 ASN A 52 6.393 -3.394 4.529 1.00 0.00 O ATOM 804 ND2 ASN A 52 4.349 -4.110 3.942 1.00 0.00 N ATOM 0 H ASN A 52 5.465 -3.451 1.421 1.00 0.00 H new ATOM 0 HA ASN A 52 3.082 -2.069 2.404 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.932 -1.360 3.073 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.494 -1.211 4.064 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.501 -5.026 4.364 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.462 -3.900 3.484 1.00 0.00 H new ATOM 811 N VAL A 53 3.192 -0.394 0.557 1.00 0.00 N ATOM 812 CA VAL A 53 3.192 0.732 -0.358 1.00 0.00 C ATOM 813 C VAL A 53 2.935 2.042 0.372 1.00 0.00 C ATOM 814 O VAL A 53 1.800 2.355 0.732 1.00 0.00 O ATOM 815 CB VAL A 53 2.129 0.558 -1.456 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.359 1.551 -2.584 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.127 -0.868 -1.979 1.00 0.00 C ATOM 0 H VAL A 53 2.289 -0.860 0.648 1.00 0.00 H new ATOM 0 HA VAL A 53 4.181 0.764 -0.814 1.00 0.00 H new ATOM 0 HB VAL A 53 1.149 0.759 -1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.597 1.413 -3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.300 2.567 -2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.345 1.387 -3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.368 -0.970 -2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.106 -1.104 -2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.905 -1.555 -1.162 1.00 0.00 H new ATOM 827 N MET A 54 3.991 2.829 0.528 1.00 0.00 N ATOM 828 CA MET A 54 3.892 4.122 1.188 1.00 0.00 C ATOM 829 C MET A 54 3.447 5.188 0.201 1.00 0.00 C ATOM 830 O MET A 54 3.428 4.956 -1.006 1.00 0.00 O ATOM 831 CB MET A 54 5.242 4.513 1.795 1.00 0.00 C ATOM 832 CG MET A 54 5.644 3.664 2.990 1.00 0.00 C ATOM 833 SD MET A 54 7.384 3.855 3.424 1.00 0.00 S ATOM 834 CE MET A 54 7.586 2.525 4.604 1.00 0.00 C ATOM 0 H MET A 54 4.929 2.593 0.205 1.00 0.00 H new ATOM 0 HA MET A 54 3.152 4.045 1.984 1.00 0.00 H new ATOM 0 HB2 MET A 54 6.012 4.432 1.028 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.204 5.559 2.100 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.028 3.935 3.847 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.441 2.616 2.771 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.614 2.512 4.965 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.908 2.678 5.444 1.00 0.00 H new ATOM 0 HE3 MET A 54 7.359 1.574 4.123 1.00 0.00 H new ATOM 844 N VAL A 55 3.055 6.344 0.722 1.00 0.00 N ATOM 845 CA VAL A 55 2.590 7.436 -0.120 1.00 0.00 C ATOM 846 C VAL A 55 3.129 8.779 0.368 1.00 0.00 C ATOM 847 O VAL A 55 3.029 9.109 1.551 1.00 0.00 O ATOM 848 CB VAL A 55 1.045 7.482 -0.184 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.478 6.092 -0.422 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.456 8.086 1.082 1.00 0.00 C ATOM 0 H VAL A 55 3.050 6.548 1.721 1.00 0.00 H new ATOM 0 HA VAL A 55 2.972 7.250 -1.124 1.00 0.00 H new ATOM 0 HB VAL A 55 0.766 8.121 -1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.610 6.145 -0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.859 5.700 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.778 5.432 0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.631 8.104 1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.749 7.485 1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.828 9.103 1.207 1.00 0.00 H new ATOM 860 N VAL A 56 3.746 9.529 -0.538 1.00 0.00 N ATOM 861 CA VAL A 56 4.288 10.838 -0.194 1.00 0.00 C ATOM 862 C VAL A 56 3.292 11.941 -0.545 1.00 0.00 C ATOM 863 O VAL A 56 3.061 12.234 -1.720 1.00 0.00 O ATOM 864 CB VAL A 56 5.638 11.102 -0.896 1.00 0.00 C ATOM 865 CG1 VAL A 56 5.632 10.529 -2.302 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.969 12.589 -0.916 1.00 0.00 C ATOM 0 H VAL A 56 3.883 9.255 -1.511 1.00 0.00 H new ATOM 0 HA VAL A 56 4.463 10.843 0.882 1.00 0.00 H new ATOM 0 HB VAL A 56 6.417 10.598 -0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.592 10.726 -2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.463 9.453 -2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.836 10.996 -2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.925 12.742 -1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.188 13.128 -1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.031 12.962 0.106 1.00 0.00 H new ATOM 876 N VAL A 57 2.695 12.537 0.481 1.00 0.00 N ATOM 877 CA VAL A 57 1.719 13.604 0.287 1.00 0.00 C ATOM 878 C VAL A 57 2.115 14.850 1.072 1.00 0.00 C ATOM 879 O VAL A 57 2.997 14.798 1.928 1.00 0.00 O ATOM 880 CB VAL A 57 0.305 13.157 0.716 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.006 11.771 0.171 1.00 0.00 C ATOM 882 CG2 VAL A 57 0.165 13.179 2.231 1.00 0.00 C ATOM 0 H VAL A 57 2.870 12.299 1.457 1.00 0.00 H new ATOM 0 HA VAL A 57 1.704 13.838 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.414 13.862 0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.007 11.473 0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.044 11.789 -0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.722 11.057 0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.840 12.860 2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.896 12.502 2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.339 14.191 2.598 1.00 0.00 H new ATOM 892 N GLY A 58 1.462 15.968 0.773 1.00 0.00 N ATOM 893 CA GLY A 58 1.762 17.204 1.471 1.00 0.00 C ATOM 894 C GLY A 58 0.880 18.356 1.033 1.00 0.00 C ATOM 895 O GLY A 58 -0.037 18.754 1.753 1.00 0.00 O ATOM 0 H GLY A 58 0.733 16.040 0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.642 17.048 2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.806 17.467 1.302 1.00 0.00 H new ATOM 899 N ASP A 59 1.160 18.899 -0.148 1.00 0.00 N ATOM 900 CA ASP A 59 0.387 20.017 -0.678 1.00 0.00 C ATOM 901 C ASP A 59 -0.905 19.530 -1.324 1.00 0.00 C ATOM 902 O ASP A 59 -1.671 20.320 -1.877 1.00 0.00 O ATOM 903 CB ASP A 59 1.216 20.801 -1.698 1.00 0.00 C ATOM 904 CG ASP A 59 2.423 21.470 -1.071 1.00 0.00 C ATOM 905 OD1 ASP A 59 2.284 22.615 -0.591 1.00 0.00 O ATOM 906 OD2 ASP A 59 3.507 20.849 -1.058 1.00 0.00 O ATOM 0 H ASP A 59 1.916 18.583 -0.756 1.00 0.00 H new ATOM 0 HA ASP A 59 0.131 20.673 0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.547 20.127 -2.488 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.588 21.558 -2.168 1.00 0.00 H new ATOM 911 N ALA A 60 -1.136 18.222 -1.254 1.00 0.00 N ATOM 912 CA ALA A 60 -2.337 17.623 -1.823 1.00 0.00 C ATOM 913 C ALA A 60 -3.586 18.056 -1.054 1.00 0.00 C ATOM 914 O ALA A 60 -3.649 19.169 -0.532 1.00 0.00 O ATOM 915 CB ALA A 60 -2.211 16.106 -1.830 1.00 0.00 C ATOM 0 H ALA A 60 -0.505 17.556 -0.808 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.441 17.973 -2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.113 15.668 -2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.348 15.815 -2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.081 15.747 -0.809 1.00 0.00 H new ATOM 921 N GLU A 61 -4.575 17.170 -0.987 1.00 0.00 N ATOM 922 CA GLU A 61 -5.818 17.461 -0.280 1.00 0.00 C ATOM 923 C GLU A 61 -6.398 16.194 0.331 1.00 0.00 C ATOM 924 O GLU A 61 -5.728 15.162 0.397 1.00 0.00 O ATOM 925 CB GLU A 61 -6.838 18.091 -1.234 1.00 0.00 C ATOM 926 CG GLU A 61 -6.620 17.725 -2.694 1.00 0.00 C ATOM 927 CD GLU A 61 -7.763 18.174 -3.583 1.00 0.00 C ATOM 928 OE1 GLU A 61 -8.173 19.347 -3.475 1.00 0.00 O ATOM 929 OE2 GLU A 61 -8.245 17.351 -4.391 1.00 0.00 O ATOM 0 H GLU A 61 -4.540 16.244 -1.414 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.596 18.166 0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.840 17.780 -0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.797 19.175 -1.131 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.692 18.178 -3.044 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.500 16.645 -2.780 1.00 0.00 H new ATOM 936 N GLY A 62 -7.654 16.270 0.757 1.00 0.00 N ATOM 937 CA GLY A 62 -8.309 15.112 1.331 1.00 0.00 C ATOM 938 C GLY A 62 -8.826 14.177 0.260 1.00 0.00 C ATOM 939 O GLY A 62 -9.640 13.295 0.531 1.00 0.00 O ATOM 0 H GLY A 62 -8.228 17.112 0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.609 14.578 1.974 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.137 15.437 1.962 1.00 0.00 H new ATOM 943 N GLY A 63 -8.346 14.375 -0.966 1.00 0.00 N ATOM 944 CA GLY A 63 -8.764 13.541 -2.075 1.00 0.00 C ATOM 945 C GLY A 63 -8.221 12.131 -1.978 1.00 0.00 C ATOM 946 O GLY A 63 -8.572 11.269 -2.782 1.00 0.00 O ATOM 0 H GLY A 63 -7.673 15.102 -1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.853 13.506 -2.109 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.431 13.992 -3.010 1.00 0.00 H new ATOM 950 N THR A 64 -7.368 11.890 -0.986 1.00 0.00 N ATOM 951 CA THR A 64 -6.786 10.568 -0.789 1.00 0.00 C ATOM 952 C THR A 64 -7.820 9.615 -0.209 1.00 0.00 C ATOM 953 O THR A 64 -7.559 8.424 -0.043 1.00 0.00 O ATOM 954 CB THR A 64 -5.568 10.637 0.131 1.00 0.00 C ATOM 955 OG1 THR A 64 -5.948 10.432 1.481 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.829 11.953 0.055 1.00 0.00 C ATOM 0 H THR A 64 -7.066 12.591 -0.309 1.00 0.00 H new ATOM 0 HA THR A 64 -6.463 10.195 -1.761 1.00 0.00 H new ATOM 0 HB THR A 64 -4.901 9.848 -0.217 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.155 10.478 2.055 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.976 11.931 0.734 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.477 12.115 -0.964 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.499 12.764 0.340 1.00 0.00 H new ATOM 964 N GLU A 65 -8.997 10.153 0.098 1.00 0.00 N ATOM 965 CA GLU A 65 -10.097 9.352 0.614 1.00 0.00 C ATOM 966 C GLU A 65 -10.395 8.204 -0.335 1.00 0.00 C ATOM 967 O GLU A 65 -10.935 7.170 0.060 1.00 0.00 O ATOM 968 CB GLU A 65 -11.342 10.217 0.772 1.00 0.00 C ATOM 969 CG GLU A 65 -11.716 10.984 -0.486 1.00 0.00 C ATOM 970 CD GLU A 65 -13.188 10.863 -0.828 1.00 0.00 C ATOM 971 OE1 GLU A 65 -14.025 11.040 0.082 1.00 0.00 O ATOM 972 OE2 GLU A 65 -13.503 10.591 -2.005 1.00 0.00 O ATOM 0 H GLU A 65 -9.212 11.145 -0.003 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.812 8.950 1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.180 9.583 1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.181 10.925 1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.463 12.036 -0.354 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.121 10.615 -1.322 1.00 0.00 H new ATOM 979 N ALA A 66 -10.012 8.400 -1.589 1.00 0.00 N ATOM 980 CA ALA A 66 -10.231 7.404 -2.630 1.00 0.00 C ATOM 981 C ALA A 66 -9.587 6.075 -2.256 1.00 0.00 C ATOM 982 O ALA A 66 -10.076 5.015 -2.638 1.00 0.00 O ATOM 983 CB ALA A 66 -9.687 7.901 -3.961 1.00 0.00 C ATOM 0 H ALA A 66 -9.544 9.247 -1.912 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.305 7.245 -2.728 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.858 7.146 -4.729 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.195 8.824 -4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.617 8.089 -3.869 1.00 0.00 H new ATOM 989 N ALA A 67 -8.526 6.135 -1.455 1.00 0.00 N ATOM 990 CA ALA A 67 -7.839 4.927 -1.014 1.00 0.00 C ATOM 991 C ALA A 67 -8.789 4.035 -0.227 1.00 0.00 C ATOM 992 O ALA A 67 -9.013 2.879 -0.589 1.00 0.00 O ATOM 993 CB ALA A 67 -6.627 5.282 -0.166 1.00 0.00 C ATOM 0 H ALA A 67 -8.126 7.004 -1.100 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.498 4.384 -1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.127 4.368 0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.936 5.887 -0.754 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.948 5.846 0.710 1.00 0.00 H new ATOM 999 N GLU A 68 -9.371 4.589 0.832 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.324 3.851 1.648 1.00 0.00 C ATOM 1001 C GLU A 68 -11.502 3.384 0.800 1.00 0.00 C ATOM 1002 O GLU A 68 -12.063 2.313 1.032 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.821 4.723 2.803 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.765 4.983 3.865 1.00 0.00 C ATOM 1005 CD GLU A 68 -10.367 5.258 5.230 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -10.993 6.325 5.398 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -10.209 4.407 6.130 1.00 0.00 O ATOM 0 H GLU A 68 -9.199 5.545 1.143 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.821 2.976 2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.167 5.677 2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.681 4.241 3.268 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.102 4.121 3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.153 5.833 3.564 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.880 4.206 -0.176 1.00 0.00 N ATOM 1015 CA GLU A 69 -12.969 3.869 -1.083 1.00 0.00 C ATOM 1016 C GLU A 69 -12.646 2.596 -1.853 1.00 0.00 C ATOM 1017 O GLU A 69 -13.445 1.661 -1.898 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.226 5.020 -2.057 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.680 5.461 -2.111 1.00 0.00 C ATOM 1020 CD GLU A 69 -14.854 6.818 -2.763 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -14.155 7.769 -2.353 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -15.691 6.931 -3.684 1.00 0.00 O ATOM 0 H GLU A 69 -11.446 5.111 -0.357 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.869 3.701 -0.492 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.608 5.871 -1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.910 4.717 -3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.260 4.720 -2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.084 5.494 -1.099 1.00 0.00 H new ATOM 1029 N SER A 70 -11.469 2.579 -2.473 1.00 0.00 N ATOM 1030 CA SER A 70 -11.016 1.422 -3.229 1.00 0.00 C ATOM 1031 C SER A 70 -10.829 0.222 -2.310 1.00 0.00 C ATOM 1032 O SER A 70 -10.815 -0.920 -2.764 1.00 0.00 O ATOM 1033 CB SER A 70 -9.705 1.740 -3.949 1.00 0.00 C ATOM 1034 OG SER A 70 -9.700 1.205 -5.262 1.00 0.00 O ATOM 0 H SER A 70 -10.811 3.359 -2.465 1.00 0.00 H new ATOM 0 HA SER A 70 -11.776 1.177 -3.971 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.563 2.820 -3.993 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.868 1.331 -3.383 1.00 0.00 H new ATOM 0 HG SER A 70 -8.852 1.424 -5.701 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.705 0.495 -1.015 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.520 -0.558 -0.023 1.00 0.00 C ATOM 1042 C LEU A 71 -11.817 -1.329 0.187 1.00 0.00 C ATOM 1043 O LEU A 71 -11.803 -2.513 0.525 1.00 0.00 O ATOM 1044 CB LEU A 71 -10.049 0.045 1.301 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.638 -0.356 1.743 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.536 -1.864 1.905 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.602 0.149 0.749 1.00 0.00 C ATOM 0 H LEU A 71 -10.729 1.438 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.761 -1.249 -0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.091 1.131 1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.752 -0.244 2.082 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.437 0.105 2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.526 -2.129 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.250 -2.198 2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.759 -2.348 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.606 -0.146 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.800 -0.281 -0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.657 1.236 0.687 1.00 0.00 H new ATOM 1059 N SER A 72 -12.938 -0.647 -0.023 1.00 0.00 N ATOM 1060 CA SER A 72 -14.252 -1.259 0.126 1.00 0.00 C ATOM 1061 C SER A 72 -14.463 -2.359 -0.912 1.00 0.00 C ATOM 1062 O SER A 72 -15.405 -3.145 -0.818 1.00 0.00 O ATOM 1063 CB SER A 72 -15.340 -0.194 -0.007 1.00 0.00 C ATOM 1064 OG SER A 72 -16.305 -0.315 1.024 1.00 0.00 O ATOM 0 H SER A 72 -12.962 0.335 -0.298 1.00 0.00 H new ATOM 0 HA SER A 72 -14.311 -1.711 1.116 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.888 0.797 0.029 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.827 -0.288 -0.978 1.00 0.00 H new ATOM 0 HG SER A 72 -16.988 0.379 0.916 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.570 -2.410 -1.897 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.656 -3.417 -2.940 1.00 0.00 C ATOM 1072 C GLY A 73 -12.292 -3.760 -3.503 1.00 0.00 C ATOM 1073 O GLY A 73 -12.170 -4.205 -4.644 1.00 0.00 O ATOM 0 H GLY A 73 -12.784 -1.767 -1.991 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.121 -4.318 -2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.300 -3.056 -3.742 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.268 -3.547 -2.687 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.889 -3.809 -3.078 1.00 0.00 C ATOM 1079 C ILE A 74 -9.606 -5.314 -3.123 1.00 0.00 C ATOM 1080 O ILE A 74 -10.534 -6.123 -3.150 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.916 -3.105 -2.100 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.600 -2.755 -2.798 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.667 -3.959 -0.866 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -6.953 -1.493 -2.268 1.00 0.00 C ATOM 0 H ILE A 74 -11.369 -3.189 -1.737 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.735 -3.408 -4.080 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.383 -2.176 -1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.905 -3.586 -2.683 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.784 -2.639 -3.866 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.980 -3.440 -0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.611 -4.137 -0.351 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.231 -4.912 -1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.025 -1.306 -2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.630 -0.651 -2.408 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.737 -1.613 -1.206 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.324 -5.681 -3.128 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.918 -7.083 -3.154 1.00 0.00 C ATOM 1098 C GLU A 75 -8.629 -7.879 -2.062 1.00 0.00 C ATOM 1099 O GLU A 75 -8.199 -7.890 -0.908 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.403 -7.180 -2.961 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.642 -7.509 -4.234 1.00 0.00 C ATOM 1102 CD GLU A 75 -5.595 -6.345 -5.203 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -5.390 -5.199 -4.748 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -5.762 -6.577 -6.419 1.00 0.00 O ATOM 0 H GLU A 75 -7.546 -5.021 -3.114 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.195 -7.505 -4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.036 -6.234 -2.564 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.190 -7.944 -2.214 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.625 -7.805 -3.978 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.110 -8.364 -4.722 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.723 -8.539 -2.437 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.478 -9.330 -1.483 1.00 0.00 C ATOM 1113 C GLY A 76 -9.664 -10.473 -0.913 1.00 0.00 C ATOM 1114 O GLY A 76 -9.900 -10.916 0.210 1.00 0.00 O ATOM 0 H GLY A 76 -10.099 -8.539 -3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.818 -8.688 -0.670 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.369 -9.728 -1.969 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.694 -10.940 -1.691 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.823 -12.025 -1.261 1.00 0.00 C ATOM 1120 C VAL A 77 -6.622 -11.475 -0.508 1.00 0.00 C ATOM 1121 O VAL A 77 -6.184 -12.041 0.493 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.344 -12.867 -2.463 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.143 -12.231 -3.150 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -7.021 -14.287 -2.021 1.00 0.00 C ATOM 0 H VAL A 77 -8.492 -10.583 -2.625 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.399 -12.669 -0.597 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.156 -12.902 -3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.834 -12.852 -3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.414 -11.239 -3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.320 -12.146 -2.440 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.685 -14.868 -2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.233 -14.263 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.913 -14.748 -1.598 1.00 0.00 H new ATOM 1134 N SER A 78 -6.123 -10.342 -0.981 1.00 0.00 N ATOM 1135 CA SER A 78 -4.983 -9.690 -0.370 1.00 0.00 C ATOM 1136 C SER A 78 -5.444 -8.604 0.589 1.00 0.00 C ATOM 1137 O SER A 78 -5.639 -7.455 0.189 1.00 0.00 O ATOM 1138 CB SER A 78 -4.086 -9.083 -1.454 1.00 0.00 C ATOM 1139 OG SER A 78 -4.166 -9.827 -2.656 1.00 0.00 O ATOM 0 H SER A 78 -6.497 -9.854 -1.795 1.00 0.00 H new ATOM 0 HA SER A 78 -4.415 -10.433 0.191 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.383 -8.051 -1.641 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.054 -9.059 -1.105 1.00 0.00 H new ATOM 0 HG SER A 78 -3.494 -9.498 -3.289 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.647 -8.970 1.852 1.00 0.00 N ATOM 1146 CA ASN A 79 -6.058 -7.988 2.849 1.00 0.00 C ATOM 1147 C ASN A 79 -4.864 -7.171 3.266 1.00 0.00 C ATOM 1148 O ASN A 79 -3.783 -7.703 3.518 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.692 -8.628 4.083 1.00 0.00 C ATOM 1150 CG ASN A 79 -7.694 -7.701 4.770 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -8.811 -8.116 5.080 1.00 0.00 O ATOM 1152 ND2 ASN A 79 -7.312 -6.437 5.015 1.00 0.00 N ATOM 0 H ASN A 79 -5.536 -9.921 2.204 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.817 -7.356 2.388 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.195 -9.551 3.793 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.909 -8.901 4.791 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.955 -5.789 5.471 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.379 -6.125 4.745 1.00 0.00 H new ATOM 1159 N ILE A 80 -5.066 -5.880 3.332 1.00 0.00 N ATOM 1160 CA ILE A 80 -3.996 -4.974 3.638 1.00 0.00 C ATOM 1161 C ILE A 80 -4.026 -4.503 5.082 1.00 0.00 C ATOM 1162 O ILE A 80 -5.092 -4.307 5.667 1.00 0.00 O ATOM 1163 CB ILE A 80 -4.081 -3.744 2.732 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.312 -4.157 1.280 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.828 -2.913 2.868 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -5.574 -3.576 0.682 1.00 0.00 C ATOM 0 H ILE A 80 -5.970 -5.433 3.176 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.067 -5.520 3.474 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.931 -3.137 3.043 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.457 -3.843 0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.359 -5.244 1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.898 -2.040 2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.717 -2.588 3.903 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.963 -3.510 2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.675 -3.910 -0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.437 -3.911 1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.521 -2.488 0.707 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.841 -4.265 5.626 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.710 -3.673 6.938 1.00 0.00 C ATOM 1180 C GLU A 81 -2.762 -2.171 6.747 1.00 0.00 C ATOM 1181 O GLU A 81 -1.743 -1.481 6.790 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.397 -4.090 7.603 1.00 0.00 C ATOM 1183 CG GLU A 81 -1.356 -3.810 9.097 1.00 0.00 C ATOM 1184 CD GLU A 81 -1.970 -4.929 9.918 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -1.721 -6.109 9.592 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -2.699 -4.625 10.886 1.00 0.00 O ATOM 0 H GLU A 81 -1.954 -4.477 5.170 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.512 -4.011 7.594 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.238 -5.155 7.437 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.572 -3.565 7.121 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.321 -3.663 9.407 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.886 -2.880 9.303 1.00 0.00 H new ATOM 1193 N VAL A 82 -3.953 -1.703 6.402 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.173 -0.312 6.061 1.00 0.00 C ATOM 1195 C VAL A 82 -4.305 0.544 7.316 1.00 0.00 C ATOM 1196 O VAL A 82 -5.292 1.253 7.515 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.436 -0.181 5.182 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.680 1.272 4.795 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.309 -1.045 3.941 1.00 0.00 C ATOM 0 H VAL A 82 -4.792 -2.281 6.352 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.310 0.048 5.500 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.292 -0.527 5.762 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.575 1.338 4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.816 1.870 5.696 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.823 1.648 4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.207 -0.942 3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.441 -0.727 3.364 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.188 -2.088 4.234 1.00 0.00 H new ATOM 1209 N THR A 83 -3.316 0.425 8.192 1.00 0.00 N ATOM 1210 CA THR A 83 -3.296 1.191 9.428 1.00 0.00 C ATOM 1211 C THR A 83 -1.932 1.832 9.669 1.00 0.00 C ATOM 1212 O THR A 83 -1.692 2.397 10.736 1.00 0.00 O ATOM 1213 CB THR A 83 -3.663 0.293 10.611 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.634 -0.666 10.230 1.00 0.00 O ATOM 1215 CG2 THR A 83 -4.213 1.058 11.795 1.00 0.00 C ATOM 0 H THR A 83 -2.517 -0.196 8.068 1.00 0.00 H new ATOM 0 HA THR A 83 -4.032 1.989 9.335 1.00 0.00 H new ATOM 0 HB THR A 83 -2.731 -0.186 10.910 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.855 -1.232 10.999 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.453 0.362 12.599 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.468 1.773 12.144 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.115 1.592 11.496 1.00 0.00 H new ATOM 1223 N ASP A 84 -1.008 1.675 8.720 1.00 0.00 N ATOM 1224 CA ASP A 84 0.326 2.226 8.889 1.00 0.00 C ATOM 1225 C ASP A 84 0.377 3.684 8.444 1.00 0.00 C ATOM 1226 O ASP A 84 -0.072 4.027 7.351 1.00 0.00 O ATOM 1227 CB ASP A 84 1.338 1.386 8.114 1.00 0.00 C ATOM 1228 CG ASP A 84 2.770 1.680 8.516 1.00 0.00 C ATOM 1229 OD1 ASP A 84 3.114 2.872 8.666 1.00 0.00 O ATOM 1230 OD2 ASP A 84 3.551 0.718 8.678 1.00 0.00 O ATOM 0 H ASP A 84 -1.160 1.178 7.842 1.00 0.00 H new ATOM 0 HA ASP A 84 0.582 2.195 9.948 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.128 0.329 8.278 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.218 1.573 7.047 1.00 0.00 H new ATOM 1235 N VAL A 85 0.936 4.536 9.297 1.00 0.00 N ATOM 1236 CA VAL A 85 1.042 5.958 9.003 1.00 0.00 C ATOM 1237 C VAL A 85 2.297 6.556 9.635 1.00 0.00 C ATOM 1238 O VAL A 85 2.722 6.139 10.713 1.00 0.00 O ATOM 1239 CB VAL A 85 -0.201 6.723 9.499 1.00 0.00 C ATOM 1240 CG1 VAL A 85 -0.153 6.923 11.007 1.00 0.00 C ATOM 1241 CG2 VAL A 85 -0.330 8.056 8.780 1.00 0.00 C ATOM 0 H VAL A 85 1.324 4.264 10.200 1.00 0.00 H new ATOM 0 HA VAL A 85 1.108 6.061 7.920 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.082 6.124 9.270 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.041 7.465 11.331 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.120 5.952 11.502 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.737 7.495 11.270 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.213 8.581 9.143 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.557 8.660 8.972 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.426 7.883 7.708 1.00 0.00 H new ATOM 1251 N ARG A 86 2.889 7.532 8.954 1.00 0.00 N ATOM 1252 CA ARG A 86 4.102 8.166 9.425 1.00 0.00 C ATOM 1253 C ARG A 86 4.143 9.630 8.961 1.00 0.00 C ATOM 1254 O ARG A 86 4.470 9.925 7.810 1.00 0.00 O ATOM 1255 CB ARG A 86 5.306 7.365 8.920 1.00 0.00 C ATOM 1256 CG ARG A 86 6.481 8.204 8.486 1.00 0.00 C ATOM 1257 CD ARG A 86 7.797 7.580 8.909 1.00 0.00 C ATOM 1258 NE ARG A 86 8.896 8.540 8.888 1.00 0.00 N ATOM 1259 CZ ARG A 86 10.107 8.268 8.411 1.00 0.00 C ATOM 1260 NH1 ARG A 86 10.374 7.066 7.918 1.00 0.00 N ATOM 1261 NH2 ARG A 86 11.050 9.198 8.428 1.00 0.00 N ATOM 0 H ARG A 86 2.540 7.899 8.068 1.00 0.00 H new ATOM 0 HA ARG A 86 4.131 8.175 10.515 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.632 6.688 9.709 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.988 6.747 8.081 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.465 8.322 7.402 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.395 9.202 8.916 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.696 7.169 9.913 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.032 6.747 8.246 1.00 0.00 H new ATOM 0 HE ARG A 86 8.725 9.474 9.261 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.650 6.348 7.904 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.304 6.860 7.553 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.847 10.123 8.807 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.979 8.989 8.062 1.00 0.00 H new ATOM 1275 N ARG A 87 3.692 10.528 9.833 1.00 0.00 N ATOM 1276 CA ARG A 87 3.616 11.952 9.510 1.00 0.00 C ATOM 1277 C ARG A 87 4.938 12.678 9.762 1.00 0.00 C ATOM 1278 O ARG A 87 5.285 12.954 10.911 1.00 0.00 O ATOM 1279 CB ARG A 87 2.513 12.616 10.338 1.00 0.00 C ATOM 1280 CG ARG A 87 1.132 12.035 10.096 1.00 0.00 C ATOM 1281 CD ARG A 87 0.918 10.757 10.887 1.00 0.00 C ATOM 1282 NE ARG A 87 -0.380 10.737 11.556 1.00 0.00 N ATOM 1283 CZ ARG A 87 -0.553 11.029 12.841 1.00 0.00 C ATOM 1284 NH1 ARG A 87 0.487 11.363 13.595 1.00 0.00 N ATOM 1285 NH2 ARG A 87 -1.765 10.987 13.375 1.00 0.00 N ATOM 0 H ARG A 87 3.372 10.294 10.773 1.00 0.00 H new ATOM 0 HA ARG A 87 3.391 12.027 8.446 1.00 0.00 H new ATOM 0 HB2 ARG A 87 2.757 12.519 11.396 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.493 13.682 10.112 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.374 12.767 10.375 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.003 11.832 9.033 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.994 9.900 10.218 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.710 10.653 11.629 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.201 10.484 11.006 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.422 11.396 13.189 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.351 11.587 14.581 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.567 10.730 12.800 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.896 11.211 14.361 1.00 0.00 H new ATOM 1299 N LEU A 88 5.655 13.025 8.693 1.00 0.00 N ATOM 1300 CA LEU A 88 6.891 13.796 8.840 1.00 0.00 C ATOM 1301 C LEU A 88 6.580 15.286 8.869 1.00 0.00 C ATOM 1302 O LEU A 88 6.554 15.939 7.825 1.00 0.00 O ATOM 1303 CB LEU A 88 7.894 13.517 7.716 1.00 0.00 C ATOM 1304 CG LEU A 88 7.571 12.343 6.798 1.00 0.00 C ATOM 1305 CD1 LEU A 88 8.535 12.327 5.622 1.00 0.00 C ATOM 1306 CD2 LEU A 88 7.639 11.037 7.562 1.00 0.00 C ATOM 0 H LEU A 88 5.408 12.790 7.732 1.00 0.00 H new ATOM 0 HA LEU A 88 7.345 13.484 9.780 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.981 14.415 7.105 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.871 13.341 8.165 1.00 0.00 H new ATOM 0 HG LEU A 88 6.556 12.460 6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.299 11.486 4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.442 13.258 5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.556 12.226 5.990 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.406 10.210 6.891 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.642 10.904 7.966 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.918 11.056 8.379 1.00 0.00 H new ATOM 1318 N MET A 89 6.331 15.813 10.062 1.00 0.00 N ATOM 1319 CA MET A 89 6.020 17.229 10.224 1.00 0.00 C ATOM 1320 C MET A 89 7.275 18.031 10.547 1.00 0.00 C ATOM 1321 O MET A 89 8.157 17.492 11.249 1.00 0.00 O ATOM 1322 CB MET A 89 4.978 17.422 11.327 1.00 0.00 C ATOM 1323 CG MET A 89 3.724 18.143 10.860 1.00 0.00 C ATOM 1324 SD MET A 89 2.298 17.803 11.909 1.00 0.00 S ATOM 1325 CE MET A 89 1.969 16.094 11.487 1.00 0.00 C ATOM 1326 OXT MET A 89 7.364 19.195 10.102 1.00 0.00 O ATOM 0 H MET A 89 6.338 15.281 10.932 1.00 0.00 H new ATOM 0 HA MET A 89 5.612 17.594 9.281 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.699 16.447 11.726 1.00 0.00 H new ATOM 0 HB3 MET A 89 5.427 17.985 12.145 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.911 19.217 10.844 1.00 0.00 H new ATOM 0 HG3 MET A 89 3.497 17.844 9.837 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.944 15.843 11.759 1.00 0.00 H new ATOM 0 HE2 MET A 89 2.105 15.951 10.415 1.00 0.00 H new ATOM 0 HE3 MET A 89 2.657 15.446 12.030 1.00 0.00 H new TER 1336 MET A 89