USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 592 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 176:sc= 0 (180deg=-0.0215) USER MOD Single : A 1 MET N :NH3+ -162:sc= 1.2 (180deg=1.19) USER MOD Single : A 2 LYS NZ :NH3+ -125:sc= 0.0303 (180deg=-0.0222) USER MOD Single : A 4 LYS NZ :NH3+ 152:sc= 1.21 (180deg=0.988) USER MOD Single : A 13 SER OG : rot 180:sc= 0.00572 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -8:sc= 0.0232 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 75:sc= 0.162 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.012) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 170:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 160:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.163 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0192) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.712 6.864 12.159 1.00 0.00 N ATOM 2 CA MET A 1 -4.757 5.957 12.693 1.00 0.00 C ATOM 3 C MET A 1 -5.644 5.397 11.580 1.00 0.00 C ATOM 4 O MET A 1 -5.671 4.171 11.363 1.00 0.00 O ATOM 5 CB MET A 1 -5.548 6.621 13.837 1.00 0.00 C ATOM 6 CG MET A 1 -6.566 5.687 14.503 1.00 0.00 C ATOM 7 SD MET A 1 -7.344 6.436 15.963 1.00 0.00 S ATOM 8 CE MET A 1 -8.445 5.092 16.479 1.00 0.00 C ATOM 0 H1 MET A 1 -2.959 6.981 12.867 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.310 6.457 11.290 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.133 7.791 11.945 1.00 0.00 H new ATOM 0 HA MET A 1 -4.260 5.093 13.134 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.848 6.979 14.592 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.070 7.495 13.447 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.337 5.421 13.780 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.069 4.762 14.794 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.945 5.367 17.408 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.191 4.915 15.704 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.862 4.184 16.636 1.00 0.00 H new ATOM 17 N LYS A 2 -6.393 6.226 10.838 1.00 0.00 N ATOM 18 CA LYS A 2 -7.166 5.795 9.653 1.00 0.00 C ATOM 19 C LYS A 2 -6.474 6.159 8.341 1.00 0.00 C ATOM 20 O LYS A 2 -5.922 7.250 8.199 1.00 0.00 O ATOM 21 CB LYS A 2 -8.609 6.327 9.709 1.00 0.00 C ATOM 22 CG LYS A 2 -9.474 5.409 10.587 1.00 0.00 C ATOM 23 CD LYS A 2 -10.960 5.805 10.607 1.00 0.00 C ATOM 24 CE LYS A 2 -11.256 7.083 11.403 1.00 0.00 C ATOM 25 NZ LYS A 2 -11.075 6.880 12.866 1.00 0.00 N ATOM 0 H LYS A 2 -6.483 7.222 11.041 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.213 4.706 9.680 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.616 7.340 10.110 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.025 6.380 8.703 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.384 4.384 10.227 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.088 5.424 11.606 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.303 5.941 9.581 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.538 4.984 11.030 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -10.598 7.883 11.063 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.278 7.405 11.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.947 7.149 13.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.864 5.879 13.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.287 7.469 13.203 1.00 0.00 H new ATOM 39 N ILE A 3 -6.540 5.237 7.385 1.00 0.00 N ATOM 40 CA ILE A 3 -5.942 5.300 6.045 1.00 0.00 C ATOM 41 C ILE A 3 -6.944 4.816 4.989 1.00 0.00 C ATOM 42 O ILE A 3 -8.002 4.268 5.316 1.00 0.00 O ATOM 43 CB ILE A 3 -4.607 4.505 5.992 1.00 0.00 C ATOM 44 CG1 ILE A 3 -4.707 2.978 6.237 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.587 5.106 6.976 1.00 0.00 C ATOM 46 CD1 ILE A 3 -5.139 2.145 5.021 1.00 0.00 C ATOM 0 H ILE A 3 -7.047 4.364 7.531 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.701 6.339 5.818 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.282 4.609 4.957 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.737 2.617 6.578 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.415 2.802 7.047 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.657 4.539 6.928 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.393 6.145 6.709 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.988 5.060 7.989 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.178 1.091 5.297 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.125 2.470 4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.421 2.282 4.213 1.00 0.00 H new ATOM 58 N LYS A 4 -6.601 4.991 3.710 1.00 0.00 N ATOM 59 CA LYS A 4 -7.317 4.415 2.563 1.00 0.00 C ATOM 60 C LYS A 4 -6.361 3.651 1.650 1.00 0.00 C ATOM 61 O LYS A 4 -5.194 4.019 1.524 1.00 0.00 O ATOM 62 CB LYS A 4 -8.096 5.504 1.803 1.00 0.00 C ATOM 63 CG LYS A 4 -9.248 6.060 2.655 1.00 0.00 C ATOM 64 CD LYS A 4 -10.128 7.105 1.957 1.00 0.00 C ATOM 65 CE LYS A 4 -10.822 6.543 0.707 1.00 0.00 C ATOM 66 NZ LYS A 4 -12.142 7.186 0.482 1.00 0.00 N ATOM 0 H LYS A 4 -5.796 5.552 3.434 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.046 3.696 2.937 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.420 6.314 1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.493 5.091 0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.879 5.229 2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.830 6.505 3.558 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.882 7.467 2.656 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.516 7.962 1.676 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.187 6.700 -0.165 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.954 5.467 0.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.366 7.172 -0.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.875 6.666 1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.110 8.170 0.816 1.00 0.00 H new ATOM 80 N ILE A 5 -6.859 2.619 0.976 1.00 0.00 N ATOM 81 CA ILE A 5 -6.123 1.877 -0.059 1.00 0.00 C ATOM 82 C ILE A 5 -6.959 1.753 -1.337 1.00 0.00 C ATOM 83 O ILE A 5 -8.181 1.607 -1.277 1.00 0.00 O ATOM 84 CB ILE A 5 -5.586 0.533 0.486 1.00 0.00 C ATOM 85 CG1 ILE A 5 -4.587 -0.095 -0.513 1.00 0.00 C ATOM 86 CG2 ILE A 5 -6.720 -0.449 0.842 1.00 0.00 C ATOM 87 CD1 ILE A 5 -3.730 -1.217 0.089 1.00 0.00 C ATOM 0 H ILE A 5 -7.802 2.263 1.132 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.235 2.443 -0.341 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.057 0.744 1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.140 -0.491 -1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.930 0.686 -0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.292 -1.377 1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.358 -0.006 1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.313 -0.659 -0.048 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.055 -1.607 -0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.148 -0.823 0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.378 -2.018 0.445 1.00 0.00 H new ATOM 99 N VAL A 6 -6.300 1.846 -2.494 1.00 0.00 N ATOM 100 CA VAL A 6 -6.923 1.881 -3.827 1.00 0.00 C ATOM 101 C VAL A 6 -6.246 0.847 -4.746 1.00 0.00 C ATOM 102 O VAL A 6 -5.375 1.208 -5.544 1.00 0.00 O ATOM 103 CB VAL A 6 -6.904 3.311 -4.422 1.00 0.00 C ATOM 104 CG1 VAL A 6 -7.886 3.404 -5.597 1.00 0.00 C ATOM 105 CG2 VAL A 6 -7.268 4.398 -3.400 1.00 0.00 C ATOM 0 H VAL A 6 -5.282 1.901 -2.534 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.974 1.607 -3.737 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.880 3.489 -4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.866 4.413 -6.009 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.598 2.691 -6.369 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.893 3.174 -5.249 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.236 5.375 -3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.272 4.215 -3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.555 4.376 -2.576 1.00 0.00 H new ATOM 115 N PRO A 7 -6.575 -0.452 -4.609 1.00 0.00 N ATOM 116 CA PRO A 7 -6.042 -1.506 -5.468 1.00 0.00 C ATOM 117 C PRO A 7 -6.712 -1.498 -6.851 1.00 0.00 C ATOM 118 O PRO A 7 -7.939 -1.470 -6.960 1.00 0.00 O ATOM 119 CB PRO A 7 -6.306 -2.810 -4.710 1.00 0.00 C ATOM 120 CG PRO A 7 -7.591 -2.515 -3.935 1.00 0.00 C ATOM 121 CD PRO A 7 -7.476 -1.024 -3.612 1.00 0.00 C ATOM 0 HA PRO A 7 -4.979 -1.370 -5.668 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.431 -3.652 -5.391 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.482 -3.060 -4.042 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.478 -2.730 -4.531 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.662 -3.118 -3.030 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.453 -0.542 -3.650 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.086 -0.874 -2.605 1.00 0.00 H new ATOM 129 N ALA A 8 -5.921 -1.597 -7.921 1.00 0.00 N ATOM 130 CA ALA A 8 -6.385 -1.723 -9.311 1.00 0.00 C ATOM 131 C ALA A 8 -6.893 -3.149 -9.663 1.00 0.00 C ATOM 132 O ALA A 8 -6.575 -3.693 -10.724 1.00 0.00 O ATOM 133 CB ALA A 8 -5.259 -1.234 -10.233 1.00 0.00 C ATOM 0 H ALA A 8 -4.904 -1.592 -7.845 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.266 -1.097 -9.455 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.578 -1.317 -11.272 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.029 -0.193 -10.006 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.370 -1.844 -10.076 1.00 0.00 H new ATOM 139 N VAL A 9 -7.641 -3.781 -8.749 1.00 0.00 N ATOM 140 CA VAL A 9 -8.051 -5.199 -8.792 1.00 0.00 C ATOM 141 C VAL A 9 -9.510 -5.357 -8.337 1.00 0.00 C ATOM 142 O VAL A 9 -9.982 -4.606 -7.478 1.00 0.00 O ATOM 143 CB VAL A 9 -7.104 -6.077 -7.934 1.00 0.00 C ATOM 144 CG1 VAL A 9 -7.422 -7.573 -8.068 1.00 0.00 C ATOM 145 CG2 VAL A 9 -5.626 -5.898 -8.316 1.00 0.00 C ATOM 0 H VAL A 9 -7.995 -3.301 -7.922 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.979 -5.541 -9.824 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.269 -5.741 -6.910 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.733 -8.148 -7.449 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.445 -7.758 -7.741 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.314 -7.876 -9.109 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.007 -6.535 -7.684 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.484 -6.175 -9.361 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.337 -4.857 -8.174 1.00 0.00 H new ATOM 155 N GLY A 10 -10.235 -6.330 -8.900 1.00 0.00 N ATOM 156 CA GLY A 10 -11.628 -6.624 -8.543 1.00 0.00 C ATOM 157 C GLY A 10 -12.569 -5.469 -8.907 1.00 0.00 C ATOM 158 O GLY A 10 -12.654 -5.075 -10.072 1.00 0.00 O ATOM 0 H GLY A 10 -9.866 -6.944 -9.626 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.950 -7.530 -9.056 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.694 -6.823 -7.473 1.00 0.00 H new ATOM 162 N GLY A 11 -13.252 -4.903 -7.906 1.00 0.00 N ATOM 163 CA GLY A 11 -14.096 -3.711 -8.067 1.00 0.00 C ATOM 164 C GLY A 11 -13.325 -2.414 -8.372 1.00 0.00 C ATOM 165 O GLY A 11 -13.920 -1.453 -8.863 1.00 0.00 O ATOM 0 H GLY A 11 -13.235 -5.262 -6.951 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -14.808 -3.892 -8.872 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.676 -3.567 -7.155 1.00 0.00 H new ATOM 169 N GLY A 12 -12.012 -2.371 -8.101 1.00 0.00 N ATOM 170 CA GLY A 12 -11.128 -1.228 -8.387 1.00 0.00 C ATOM 171 C GLY A 12 -11.356 0.027 -7.523 1.00 0.00 C ATOM 172 O GLY A 12 -10.727 1.061 -7.759 1.00 0.00 O ATOM 0 H GLY A 12 -11.521 -3.151 -7.665 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.095 -1.551 -8.260 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.249 -0.952 -9.435 1.00 0.00 H new ATOM 176 N SER A 13 -12.274 -0.036 -6.555 1.00 0.00 N ATOM 177 CA SER A 13 -12.713 1.081 -5.707 1.00 0.00 C ATOM 178 C SER A 13 -11.773 1.349 -4.513 1.00 0.00 C ATOM 179 O SER A 13 -11.064 0.440 -4.061 1.00 0.00 O ATOM 180 CB SER A 13 -14.144 0.802 -5.220 1.00 0.00 C ATOM 181 OG SER A 13 -14.229 -0.446 -4.544 1.00 0.00 O ATOM 0 H SER A 13 -12.755 -0.906 -6.329 1.00 0.00 H new ATOM 0 HA SER A 13 -12.686 1.987 -6.313 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.465 1.602 -4.552 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.826 0.804 -6.070 1.00 0.00 H new ATOM 0 HG SER A 13 -15.150 -0.594 -4.245 1.00 0.00 H new ATOM 187 N PRO A 14 -11.756 2.584 -3.968 1.00 0.00 N ATOM 188 CA PRO A 14 -11.073 2.899 -2.712 1.00 0.00 C ATOM 189 C PRO A 14 -11.743 2.219 -1.501 1.00 0.00 C ATOM 190 O PRO A 14 -12.958 1.994 -1.494 1.00 0.00 O ATOM 191 CB PRO A 14 -11.132 4.426 -2.595 1.00 0.00 C ATOM 192 CG PRO A 14 -12.425 4.783 -3.324 1.00 0.00 C ATOM 193 CD PRO A 14 -12.447 3.770 -4.467 1.00 0.00 C ATOM 0 HA PRO A 14 -10.048 2.528 -2.716 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.154 4.749 -1.554 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.266 4.899 -3.057 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.297 4.685 -2.677 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.415 5.809 -3.691 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.470 3.532 -4.758 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.949 4.168 -5.351 1.00 0.00 H new ATOM 201 N LEU A 15 -10.960 1.942 -0.453 1.00 0.00 N ATOM 202 CA LEU A 15 -11.417 1.308 0.790 1.00 0.00 C ATOM 203 C LEU A 15 -10.735 1.920 2.027 1.00 0.00 C ATOM 204 O LEU A 15 -9.507 1.947 2.112 1.00 0.00 O ATOM 205 CB LEU A 15 -11.157 -0.209 0.679 1.00 0.00 C ATOM 206 CG LEU A 15 -11.553 -1.034 1.920 1.00 0.00 C ATOM 207 CD1 LEU A 15 -13.065 -1.013 2.166 1.00 0.00 C ATOM 208 CD2 LEU A 15 -11.119 -2.488 1.736 1.00 0.00 C ATOM 0 H LEU A 15 -9.963 2.158 -0.445 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.484 1.486 0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.703 -0.593 -0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.097 -0.366 0.481 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.053 -0.583 2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -13.298 -1.607 3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.394 0.014 2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -13.580 -1.432 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.401 -3.066 2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.608 -2.905 0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.038 -2.531 1.605 1.00 0.00 H new ATOM 220 N GLU A 16 -11.526 2.387 2.993 1.00 0.00 N ATOM 221 CA GLU A 16 -11.073 2.829 4.320 1.00 0.00 C ATOM 222 C GLU A 16 -10.619 1.653 5.205 1.00 0.00 C ATOM 223 O GLU A 16 -11.263 0.601 5.225 1.00 0.00 O ATOM 224 CB GLU A 16 -12.197 3.584 5.060 1.00 0.00 C ATOM 225 CG GLU A 16 -12.671 4.900 4.419 1.00 0.00 C ATOM 226 CD GLU A 16 -13.506 4.754 3.128 1.00 0.00 C ATOM 227 OE1 GLU A 16 -14.096 3.678 2.870 1.00 0.00 O ATOM 228 OE2 GLU A 16 -13.581 5.747 2.364 1.00 0.00 O ATOM 0 H GLU A 16 -12.535 2.473 2.873 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.222 3.488 4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.055 2.918 5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.855 3.800 6.072 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.263 5.447 5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.796 5.510 4.196 1.00 0.00 H new ATOM 235 N LEU A 17 -9.558 1.856 5.993 1.00 0.00 N ATOM 236 CA LEU A 17 -9.046 0.907 6.993 1.00 0.00 C ATOM 237 C LEU A 17 -8.451 1.666 8.198 1.00 0.00 C ATOM 238 O LEU A 17 -7.952 2.783 8.061 1.00 0.00 O ATOM 239 CB LEU A 17 -7.996 -0.027 6.336 1.00 0.00 C ATOM 240 CG LEU A 17 -8.198 -1.545 6.525 1.00 0.00 C ATOM 241 CD1 LEU A 17 -8.224 -1.968 7.994 1.00 0.00 C ATOM 242 CD2 LEU A 17 -9.464 -2.070 5.848 1.00 0.00 C ATOM 0 H LEU A 17 -9.011 2.716 5.952 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.866 0.292 7.364 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.978 0.182 5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.014 0.236 6.729 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.327 -1.989 6.043 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.369 -3.046 8.060 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.279 -1.699 8.467 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.042 -1.460 8.504 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.549 -3.143 6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.336 -1.567 6.266 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.411 -1.875 4.777 1.00 0.00 H new ATOM 254 N GLU A 18 -8.479 1.050 9.379 1.00 0.00 N ATOM 255 CA GLU A 18 -7.868 1.571 10.612 1.00 0.00 C ATOM 256 C GLU A 18 -6.667 0.701 11.027 1.00 0.00 C ATOM 257 O GLU A 18 -6.776 -0.526 11.092 1.00 0.00 O ATOM 258 CB GLU A 18 -8.947 1.678 11.703 1.00 0.00 C ATOM 259 CG GLU A 18 -8.447 2.380 12.971 1.00 0.00 C ATOM 260 CD GLU A 18 -9.622 2.721 13.905 1.00 0.00 C ATOM 261 OE1 GLU A 18 -10.355 3.704 13.630 1.00 0.00 O ATOM 262 OE2 GLU A 18 -9.812 2.014 14.925 1.00 0.00 O ATOM 0 H GLU A 18 -8.939 0.150 9.514 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.471 2.572 10.446 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.804 2.222 11.307 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.296 0.678 11.961 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.737 1.738 13.492 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.914 3.292 12.701 1.00 0.00 H new ATOM 269 N VAL A 19 -5.513 1.329 11.276 1.00 0.00 N ATOM 270 CA VAL A 19 -4.195 0.674 11.390 1.00 0.00 C ATOM 271 C VAL A 19 -3.335 1.276 12.511 1.00 0.00 C ATOM 272 O VAL A 19 -3.489 2.442 12.886 1.00 0.00 O ATOM 273 CB VAL A 19 -3.424 0.711 10.047 1.00 0.00 C ATOM 274 CG1 VAL A 19 -4.175 -0.010 8.920 1.00 0.00 C ATOM 275 CG2 VAL A 19 -3.091 2.133 9.570 1.00 0.00 C ATOM 0 H VAL A 19 -5.463 2.339 11.409 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.394 -0.366 11.649 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.492 0.189 10.262 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.592 0.045 8.001 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.325 -1.055 9.193 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.143 0.467 8.765 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.551 2.083 8.624 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.014 2.696 9.431 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.471 2.631 10.315 1.00 0.00 H new ATOM 285 N ALA A 20 -2.398 0.482 13.035 1.00 0.00 N ATOM 286 CA ALA A 20 -1.379 0.939 13.983 1.00 0.00 C ATOM 287 C ALA A 20 -0.355 1.888 13.313 1.00 0.00 C ATOM 288 O ALA A 20 -0.055 1.723 12.124 1.00 0.00 O ATOM 289 CB ALA A 20 -0.691 -0.298 14.579 1.00 0.00 C ATOM 0 H ALA A 20 -2.325 -0.510 12.810 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.853 1.517 14.776 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.073 0.018 15.289 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.430 -0.914 15.091 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.227 -0.877 13.780 1.00 0.00 H new ATOM 295 N PRO A 21 0.248 2.847 14.049 1.00 0.00 N ATOM 296 CA PRO A 21 1.282 3.739 13.507 1.00 0.00 C ATOM 297 C PRO A 21 2.571 2.993 13.107 1.00 0.00 C ATOM 298 O PRO A 21 3.288 3.435 12.211 1.00 0.00 O ATOM 299 CB PRO A 21 1.538 4.771 14.613 1.00 0.00 C ATOM 300 CG PRO A 21 1.165 4.032 15.898 1.00 0.00 C ATOM 301 CD PRO A 21 0.007 3.141 15.457 1.00 0.00 C ATOM 0 HA PRO A 21 0.948 4.206 12.580 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.579 5.094 14.625 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.929 5.664 14.475 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.000 3.447 16.284 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.866 4.721 16.688 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.029 2.225 16.047 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.949 3.646 15.593 1.00 0.00 H new ATOM 309 N ASN A 22 2.839 1.835 13.723 1.00 0.00 N ATOM 310 CA ASN A 22 3.973 0.947 13.433 1.00 0.00 C ATOM 311 C ASN A 22 3.819 0.098 12.145 1.00 0.00 C ATOM 312 O ASN A 22 4.580 -0.851 11.947 1.00 0.00 O ATOM 313 CB ASN A 22 4.236 0.064 14.672 1.00 0.00 C ATOM 314 CG ASN A 22 4.615 0.860 15.910 1.00 0.00 C ATOM 315 OD1 ASN A 22 3.772 1.316 16.669 1.00 0.00 O ATOM 316 ND2 ASN A 22 5.893 1.052 16.156 1.00 0.00 N ATOM 0 H ASN A 22 2.245 1.475 14.470 1.00 0.00 H new ATOM 0 HA ASN A 22 4.835 1.581 13.225 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.344 -0.524 14.886 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.035 -0.641 14.444 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.180 1.581 16.980 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.597 0.672 15.523 1.00 0.00 H new ATOM 323 N ALA A 23 2.844 0.392 11.274 1.00 0.00 N ATOM 324 CA ALA A 23 2.634 -0.318 10.008 1.00 0.00 C ATOM 325 C ALA A 23 3.833 -0.146 9.043 1.00 0.00 C ATOM 326 O ALA A 23 4.024 0.915 8.443 1.00 0.00 O ATOM 327 CB ALA A 23 1.319 0.174 9.387 1.00 0.00 C ATOM 0 H ALA A 23 2.170 1.141 11.433 1.00 0.00 H new ATOM 0 HA ALA A 23 2.563 -1.389 10.200 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.146 -0.344 8.444 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.495 -0.031 10.070 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.381 1.247 9.206 1.00 0.00 H new ATOM 333 N THR A 24 4.649 -1.194 8.900 1.00 0.00 N ATOM 334 CA THR A 24 5.862 -1.199 8.062 1.00 0.00 C ATOM 335 C THR A 24 5.506 -1.299 6.574 1.00 0.00 C ATOM 336 O THR A 24 4.774 -2.200 6.167 1.00 0.00 O ATOM 337 CB THR A 24 6.792 -2.364 8.459 1.00 0.00 C ATOM 338 OG1 THR A 24 7.043 -2.348 9.848 1.00 0.00 O ATOM 339 CG2 THR A 24 8.152 -2.307 7.759 1.00 0.00 C ATOM 0 H THR A 24 4.486 -2.084 9.371 1.00 0.00 H new ATOM 0 HA THR A 24 6.383 -0.257 8.229 1.00 0.00 H new ATOM 0 HB THR A 24 6.269 -3.271 8.155 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.633 -3.095 10.082 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.761 -3.152 8.079 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.008 -2.351 6.680 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.657 -1.377 8.020 1.00 0.00 H new ATOM 347 N VAL A 25 6.065 -0.424 5.731 1.00 0.00 N ATOM 348 CA VAL A 25 5.797 -0.390 4.275 1.00 0.00 C ATOM 349 C VAL A 25 6.197 -1.694 3.561 1.00 0.00 C ATOM 350 O VAL A 25 5.492 -2.153 2.661 1.00 0.00 O ATOM 351 CB VAL A 25 6.486 0.851 3.665 1.00 0.00 C ATOM 352 CG1 VAL A 25 6.606 0.818 2.142 1.00 0.00 C ATOM 353 CG2 VAL A 25 5.710 2.120 4.045 1.00 0.00 C ATOM 0 H VAL A 25 6.725 0.292 6.036 1.00 0.00 H new ATOM 0 HA VAL A 25 4.721 -0.309 4.124 1.00 0.00 H new ATOM 0 HB VAL A 25 7.496 0.849 4.075 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.101 1.726 1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.191 -0.051 1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.612 0.756 1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.202 2.991 3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.691 2.051 3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.685 2.220 5.130 1.00 0.00 H new ATOM 363 N GLY A 26 7.279 -2.348 3.999 1.00 0.00 N ATOM 364 CA GLY A 26 7.670 -3.681 3.517 1.00 0.00 C ATOM 365 C GLY A 26 6.653 -4.775 3.871 1.00 0.00 C ATOM 366 O GLY A 26 6.326 -5.607 3.025 1.00 0.00 O ATOM 0 H GLY A 26 7.912 -1.967 4.702 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.795 -3.647 2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.639 -3.944 3.941 1.00 0.00 H new ATOM 370 N ALA A 27 6.084 -4.735 5.081 1.00 0.00 N ATOM 371 CA ALA A 27 5.034 -5.662 5.513 1.00 0.00 C ATOM 372 C ALA A 27 3.715 -5.452 4.744 1.00 0.00 C ATOM 373 O ALA A 27 3.028 -6.424 4.425 1.00 0.00 O ATOM 374 CB ALA A 27 4.832 -5.527 7.028 1.00 0.00 C ATOM 0 H ALA A 27 6.342 -4.052 5.793 1.00 0.00 H new ATOM 0 HA ALA A 27 5.356 -6.678 5.283 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.052 -6.215 7.354 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.763 -5.765 7.542 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.537 -4.505 7.266 1.00 0.00 H new ATOM 380 N VAL A 28 3.377 -4.206 4.382 1.00 0.00 N ATOM 381 CA VAL A 28 2.226 -3.902 3.507 1.00 0.00 C ATOM 382 C VAL A 28 2.392 -4.571 2.135 1.00 0.00 C ATOM 383 O VAL A 28 1.455 -5.218 1.660 1.00 0.00 O ATOM 384 CB VAL A 28 1.998 -2.379 3.380 1.00 0.00 C ATOM 385 CG1 VAL A 28 0.928 -2.017 2.341 1.00 0.00 C ATOM 386 CG2 VAL A 28 1.547 -1.787 4.722 1.00 0.00 C ATOM 0 H VAL A 28 3.891 -3.379 4.685 1.00 0.00 H new ATOM 0 HA VAL A 28 1.332 -4.318 3.971 1.00 0.00 H new ATOM 0 HB VAL A 28 2.955 -1.966 3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.814 -0.934 2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.231 -2.389 1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.022 -2.471 2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.392 -0.714 4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.615 -2.259 5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.314 -1.967 5.475 1.00 0.00 H new ATOM 396 N ARG A 29 3.590 -4.505 1.528 1.00 0.00 N ATOM 397 CA ARG A 29 3.887 -5.224 0.274 1.00 0.00 C ATOM 398 C ARG A 29 3.761 -6.741 0.430 1.00 0.00 C ATOM 399 O ARG A 29 3.002 -7.350 -0.321 1.00 0.00 O ATOM 400 CB ARG A 29 5.274 -4.858 -0.284 1.00 0.00 C ATOM 401 CG ARG A 29 5.294 -3.489 -0.978 1.00 0.00 C ATOM 402 CD ARG A 29 6.645 -3.286 -1.678 1.00 0.00 C ATOM 403 NE ARG A 29 6.688 -2.038 -2.467 1.00 0.00 N ATOM 404 CZ ARG A 29 6.977 -0.830 -2.019 1.00 0.00 C ATOM 405 NH1 ARG A 29 7.196 -0.589 -0.764 1.00 0.00 N ATOM 406 NH2 ARG A 29 7.063 0.191 -2.817 1.00 0.00 N ATOM 0 H ARG A 29 4.373 -3.958 1.887 1.00 0.00 H new ATOM 0 HA ARG A 29 3.134 -4.899 -0.444 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.999 -4.858 0.530 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.589 -5.624 -0.993 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.484 -3.426 -1.704 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.129 -2.697 -0.247 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.439 -3.268 -0.931 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.843 -4.134 -2.333 1.00 0.00 H new ATOM 0 HE ARG A 29 6.472 -2.118 -3.461 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.148 -1.347 -0.083 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.416 0.359 -0.458 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.906 0.071 -3.818 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.288 1.113 -2.443 1.00 0.00 H new ATOM 420 N THR A 30 4.447 -7.361 1.396 1.00 0.00 N ATOM 421 CA THR A 30 4.432 -8.833 1.545 1.00 0.00 C ATOM 422 C THR A 30 3.040 -9.384 1.867 1.00 0.00 C ATOM 423 O THR A 30 2.679 -10.443 1.347 1.00 0.00 O ATOM 424 CB THR A 30 5.435 -9.344 2.592 1.00 0.00 C ATOM 425 OG1 THR A 30 5.170 -8.799 3.863 1.00 0.00 O ATOM 426 CG2 THR A 30 6.884 -9.036 2.214 1.00 0.00 C ATOM 0 H THR A 30 5.019 -6.875 2.087 1.00 0.00 H new ATOM 0 HA THR A 30 4.737 -9.207 0.568 1.00 0.00 H new ATOM 0 HB THR A 30 5.309 -10.426 2.622 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.479 -8.108 3.785 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.551 -9.418 2.987 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.121 -9.512 1.262 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.015 -7.958 2.123 1.00 0.00 H new ATOM 434 N LYS A 31 2.215 -8.653 2.633 1.00 0.00 N ATOM 435 CA LYS A 31 0.809 -9.008 2.891 1.00 0.00 C ATOM 436 C LYS A 31 -0.012 -9.052 1.598 1.00 0.00 C ATOM 437 O LYS A 31 -0.697 -10.043 1.345 1.00 0.00 O ATOM 438 CB LYS A 31 0.208 -8.026 3.914 1.00 0.00 C ATOM 439 CG LYS A 31 -1.120 -8.528 4.517 1.00 0.00 C ATOM 440 CD LYS A 31 -1.044 -8.747 6.037 1.00 0.00 C ATOM 441 CE LYS A 31 -0.040 -9.849 6.412 1.00 0.00 C ATOM 442 NZ LYS A 31 0.063 -10.019 7.885 1.00 0.00 N ATOM 0 H LYS A 31 2.507 -7.792 3.095 1.00 0.00 H new ATOM 0 HA LYS A 31 0.775 -10.013 3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.926 -7.860 4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.041 -7.063 3.432 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.908 -7.807 4.298 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.401 -9.464 4.034 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.757 -7.815 6.523 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.031 -9.013 6.415 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.347 -10.791 5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.940 -9.602 6.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.749 -10.770 8.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.380 -9.127 8.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.867 -10.279 8.270 1.00 0.00 H new ATOM 456 N VAL A 32 0.103 -8.031 0.742 1.00 0.00 N ATOM 457 CA VAL A 32 -0.588 -8.000 -0.560 1.00 0.00 C ATOM 458 C VAL A 32 -0.057 -9.077 -1.512 1.00 0.00 C ATOM 459 O VAL A 32 -0.859 -9.769 -2.134 1.00 0.00 O ATOM 460 CB VAL A 32 -0.546 -6.598 -1.199 1.00 0.00 C ATOM 461 CG1 VAL A 32 -1.167 -6.599 -2.603 1.00 0.00 C ATOM 462 CG2 VAL A 32 -1.340 -5.599 -0.345 1.00 0.00 C ATOM 0 H VAL A 32 0.673 -7.206 0.927 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.636 -8.231 -0.370 1.00 0.00 H new ATOM 0 HB VAL A 32 0.504 -6.311 -1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.120 -5.594 -3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.615 -7.286 -3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.208 -6.918 -2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.302 -4.613 -0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.377 -5.926 -0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.905 -5.548 0.653 1.00 0.00 H new ATOM 472 N CYS A 33 1.260 -9.303 -1.581 1.00 0.00 N ATOM 473 CA CYS A 33 1.844 -10.389 -2.381 1.00 0.00 C ATOM 474 C CYS A 33 1.301 -11.770 -1.967 1.00 0.00 C ATOM 475 O CYS A 33 0.948 -12.572 -2.833 1.00 0.00 O ATOM 476 CB CYS A 33 3.376 -10.347 -2.273 1.00 0.00 C ATOM 477 SG CYS A 33 4.035 -8.844 -3.056 1.00 0.00 S ATOM 0 H CYS A 33 1.951 -8.740 -1.085 1.00 0.00 H new ATOM 0 HA CYS A 33 1.553 -10.236 -3.420 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.672 -10.377 -1.225 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.803 -11.229 -2.750 1.00 0.00 H new ATOM 0 HG CYS A 33 3.808 -7.820 -2.288 1.00 0.00 H new ATOM 483 N ALA A 34 1.158 -12.031 -0.662 1.00 0.00 N ATOM 484 CA ALA A 34 0.558 -13.262 -0.140 1.00 0.00 C ATOM 485 C ALA A 34 -0.945 -13.384 -0.472 1.00 0.00 C ATOM 486 O ALA A 34 -1.402 -14.459 -0.870 1.00 0.00 O ATOM 487 CB ALA A 34 0.805 -13.319 1.373 1.00 0.00 C ATOM 0 H ALA A 34 1.459 -11.386 0.068 1.00 0.00 H new ATOM 0 HA ALA A 34 1.032 -14.113 -0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.365 -14.230 1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.878 -13.316 1.567 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.348 -12.451 1.849 1.00 0.00 H new ATOM 493 N MET A 35 -1.713 -12.291 -0.365 1.00 0.00 N ATOM 494 CA MET A 35 -3.146 -12.254 -0.703 1.00 0.00 C ATOM 495 C MET A 35 -3.417 -12.438 -2.208 1.00 0.00 C ATOM 496 O MET A 35 -4.365 -13.130 -2.585 1.00 0.00 O ATOM 497 CB MET A 35 -3.759 -10.929 -0.219 1.00 0.00 C ATOM 498 CG MET A 35 -3.897 -10.872 1.305 1.00 0.00 C ATOM 499 SD MET A 35 -4.399 -9.244 1.930 1.00 0.00 S ATOM 500 CE MET A 35 -4.661 -9.661 3.676 1.00 0.00 C ATOM 0 H MET A 35 -1.353 -11.395 -0.037 1.00 0.00 H new ATOM 0 HA MET A 35 -3.614 -13.097 -0.194 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.137 -10.100 -0.556 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.740 -10.798 -0.675 1.00 0.00 H new ATOM 0 HG2 MET A 35 -4.628 -11.615 1.623 1.00 0.00 H new ATOM 0 HG3 MET A 35 -2.945 -11.148 1.758 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.977 -8.770 4.219 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.432 -10.427 3.755 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.731 -10.036 4.104 1.00 0.00 H new ATOM 510 N LYS A 36 -2.588 -11.840 -3.077 1.00 0.00 N ATOM 511 CA LYS A 36 -2.665 -11.973 -4.546 1.00 0.00 C ATOM 512 C LYS A 36 -2.061 -13.282 -5.079 1.00 0.00 C ATOM 513 O LYS A 36 -2.415 -13.701 -6.181 1.00 0.00 O ATOM 514 CB LYS A 36 -1.953 -10.773 -5.207 1.00 0.00 C ATOM 515 CG LYS A 36 -2.551 -9.377 -4.939 1.00 0.00 C ATOM 516 CD LYS A 36 -3.793 -9.009 -5.775 1.00 0.00 C ATOM 517 CE LYS A 36 -5.116 -9.663 -5.341 1.00 0.00 C ATOM 518 NZ LYS A 36 -5.576 -9.192 -4.008 1.00 0.00 N ATOM 0 H LYS A 36 -1.825 -11.235 -2.773 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.724 -11.991 -4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.915 -10.768 -4.874 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.941 -10.936 -6.285 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.814 -9.311 -3.883 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.779 -8.630 -5.122 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.919 -7.927 -5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.601 -9.279 -6.813 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.884 -9.447 -6.083 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.991 -10.746 -5.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.503 -9.611 -3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.889 -9.480 -3.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.658 -8.155 -4.015 1.00 0.00 H new ATOM 532 N LYS A 37 -1.149 -13.910 -4.324 1.00 0.00 N ATOM 533 CA LYS A 37 -0.262 -15.014 -4.754 1.00 0.00 C ATOM 534 C LYS A 37 0.646 -14.636 -5.947 1.00 0.00 C ATOM 535 O LYS A 37 0.975 -15.477 -6.786 1.00 0.00 O ATOM 536 CB LYS A 37 -1.078 -16.308 -4.961 1.00 0.00 C ATOM 537 CG LYS A 37 -0.232 -17.581 -4.757 1.00 0.00 C ATOM 538 CD LYS A 37 -0.804 -18.802 -5.493 1.00 0.00 C ATOM 539 CE LYS A 37 -0.593 -18.675 -7.010 1.00 0.00 C ATOM 540 NZ LYS A 37 -1.084 -19.873 -7.738 1.00 0.00 N ATOM 0 H LYS A 37 -0.998 -13.654 -3.348 1.00 0.00 H new ATOM 0 HA LYS A 37 0.445 -15.213 -3.949 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.918 -16.319 -4.266 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.497 -16.312 -5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.784 -17.396 -5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.168 -17.802 -3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.322 -19.710 -5.129 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.868 -18.897 -5.276 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.112 -17.789 -7.376 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.467 -18.532 -7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.924 -19.749 -8.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.571 -20.715 -7.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.101 -19.995 -7.559 1.00 0.00 H new ATOM 554 N LEU A 38 1.030 -13.358 -6.036 1.00 0.00 N ATOM 555 CA LEU A 38 1.891 -12.778 -7.081 1.00 0.00 C ATOM 556 C LEU A 38 3.237 -12.297 -6.488 1.00 0.00 C ATOM 557 O LEU A 38 3.276 -11.898 -5.318 1.00 0.00 O ATOM 558 CB LEU A 38 1.151 -11.616 -7.789 1.00 0.00 C ATOM 559 CG LEU A 38 0.494 -11.987 -9.134 1.00 0.00 C ATOM 560 CD1 LEU A 38 -0.627 -13.017 -9.008 1.00 0.00 C ATOM 561 CD2 LEU A 38 -0.107 -10.739 -9.782 1.00 0.00 C ATOM 0 H LEU A 38 0.736 -12.663 -5.349 1.00 0.00 H new ATOM 0 HA LEU A 38 2.114 -13.551 -7.817 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.381 -11.233 -7.119 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.858 -10.804 -7.959 1.00 0.00 H new ATOM 0 HG LEU A 38 1.291 -12.422 -9.738 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.040 -13.227 -9.994 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.230 -13.936 -8.577 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.412 -12.623 -8.362 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.569 -11.009 -10.732 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.860 -10.312 -9.120 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.680 -10.005 -9.957 1.00 0.00 H new ATOM 573 N PRO A 39 4.338 -12.304 -7.267 1.00 0.00 N ATOM 574 CA PRO A 39 5.642 -11.794 -6.836 1.00 0.00 C ATOM 575 C PRO A 39 5.660 -10.254 -6.680 1.00 0.00 C ATOM 576 O PRO A 39 4.822 -9.559 -7.265 1.00 0.00 O ATOM 577 CB PRO A 39 6.626 -12.269 -7.913 1.00 0.00 C ATOM 578 CG PRO A 39 5.772 -12.318 -9.176 1.00 0.00 C ATOM 579 CD PRO A 39 4.416 -12.778 -8.645 1.00 0.00 C ATOM 0 HA PRO A 39 5.904 -12.167 -5.846 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.465 -11.582 -8.022 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.044 -13.247 -7.672 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.708 -11.343 -9.660 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.176 -13.013 -9.912 1.00 0.00 H new ATOM 0 HD2 PRO A 39 3.603 -12.368 -9.245 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.328 -13.864 -8.689 1.00 0.00 H new ATOM 587 N PRO A 40 6.644 -9.687 -5.951 1.00 0.00 N ATOM 588 CA PRO A 40 6.797 -8.235 -5.798 1.00 0.00 C ATOM 589 C PRO A 40 7.137 -7.506 -7.114 1.00 0.00 C ATOM 590 O PRO A 40 6.905 -6.303 -7.231 1.00 0.00 O ATOM 591 CB PRO A 40 7.906 -8.058 -4.755 1.00 0.00 C ATOM 592 CG PRO A 40 8.749 -9.324 -4.905 1.00 0.00 C ATOM 593 CD PRO A 40 7.697 -10.385 -5.223 1.00 0.00 C ATOM 0 HA PRO A 40 5.854 -7.785 -5.487 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.494 -7.160 -4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.498 -7.965 -3.748 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.485 -9.230 -5.704 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.298 -9.557 -3.992 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.121 -11.190 -5.823 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.309 -10.838 -4.311 1.00 0.00 H new ATOM 601 N ASP A 41 7.655 -8.213 -8.126 1.00 0.00 N ATOM 602 CA ASP A 41 7.978 -7.641 -9.443 1.00 0.00 C ATOM 603 C ASP A 41 6.733 -7.206 -10.241 1.00 0.00 C ATOM 604 O ASP A 41 6.796 -6.233 -10.995 1.00 0.00 O ATOM 605 CB ASP A 41 8.797 -8.651 -10.267 1.00 0.00 C ATOM 606 CG ASP A 41 10.179 -8.998 -9.680 1.00 0.00 C ATOM 607 OD1 ASP A 41 10.732 -8.225 -8.860 1.00 0.00 O ATOM 608 OD2 ASP A 41 10.740 -10.050 -10.072 1.00 0.00 O ATOM 0 H ASP A 41 7.865 -9.209 -8.055 1.00 0.00 H new ATOM 0 HA ASP A 41 8.563 -6.740 -9.256 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.219 -9.570 -10.366 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.935 -8.251 -11.272 1.00 0.00 H new ATOM 613 N THR A 42 5.597 -7.893 -10.066 1.00 0.00 N ATOM 614 CA THR A 42 4.330 -7.651 -10.789 1.00 0.00 C ATOM 615 C THR A 42 3.358 -6.723 -10.040 1.00 0.00 C ATOM 616 O THR A 42 2.159 -6.720 -10.321 1.00 0.00 O ATOM 617 CB THR A 42 3.653 -8.977 -11.185 1.00 0.00 C ATOM 618 OG1 THR A 42 3.447 -9.803 -10.062 1.00 0.00 O ATOM 619 CG2 THR A 42 4.489 -9.773 -12.188 1.00 0.00 C ATOM 0 H THR A 42 5.526 -8.659 -9.396 1.00 0.00 H new ATOM 0 HA THR A 42 4.602 -7.117 -11.700 1.00 0.00 H new ATOM 0 HB THR A 42 2.701 -8.698 -11.636 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.877 -10.559 -10.313 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.972 -10.700 -12.438 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.632 -9.182 -13.093 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.459 -10.006 -11.749 1.00 0.00 H new ATOM 627 N THR A 43 3.845 -5.921 -9.087 1.00 0.00 N ATOM 628 CA THR A 43 3.034 -4.964 -8.310 1.00 0.00 C ATOM 629 C THR A 43 3.811 -3.689 -7.961 1.00 0.00 C ATOM 630 O THR A 43 5.043 -3.702 -7.867 1.00 0.00 O ATOM 631 CB THR A 43 2.432 -5.643 -7.065 1.00 0.00 C ATOM 632 OG1 THR A 43 1.567 -4.754 -6.395 1.00 0.00 O ATOM 633 CG2 THR A 43 3.474 -6.114 -6.048 1.00 0.00 C ATOM 0 H THR A 43 4.831 -5.915 -8.826 1.00 0.00 H new ATOM 0 HA THR A 43 2.207 -4.644 -8.943 1.00 0.00 H new ATOM 0 HB THR A 43 1.907 -6.519 -7.445 1.00 0.00 H new ATOM 0 HG1 THR A 43 1.189 -5.197 -5.607 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.971 -6.581 -5.201 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.140 -6.837 -6.518 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.054 -5.260 -5.699 1.00 0.00 H new ATOM 641 N ARG A 44 3.104 -2.568 -7.785 1.00 0.00 N ATOM 642 CA ARG A 44 3.646 -1.258 -7.379 1.00 0.00 C ATOM 643 C ARG A 44 2.726 -0.564 -6.375 1.00 0.00 C ATOM 644 O ARG A 44 1.507 -0.680 -6.467 1.00 0.00 O ATOM 645 CB ARG A 44 3.885 -0.365 -8.616 1.00 0.00 C ATOM 646 CG ARG A 44 5.045 -0.811 -9.523 1.00 0.00 C ATOM 647 CD ARG A 44 6.404 -0.722 -8.814 1.00 0.00 C ATOM 648 NE ARG A 44 7.516 -1.132 -9.693 1.00 0.00 N ATOM 649 CZ ARG A 44 8.023 -2.348 -9.821 1.00 0.00 C ATOM 650 NH1 ARG A 44 7.520 -3.391 -9.224 1.00 0.00 N ATOM 651 NH2 ARG A 44 9.070 -2.540 -10.570 1.00 0.00 N ATOM 0 H ARG A 44 2.094 -2.543 -7.927 1.00 0.00 H new ATOM 0 HA ARG A 44 4.603 -1.427 -6.886 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.970 -0.337 -9.208 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.078 0.654 -8.279 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.874 -1.837 -9.850 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.063 -0.190 -10.418 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.569 0.300 -8.474 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.392 -1.355 -7.927 1.00 0.00 H new ATOM 0 HE ARG A 44 7.939 -0.400 -10.263 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.699 -3.290 -8.627 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.947 -4.308 -9.354 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.499 -1.754 -11.058 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.461 -3.477 -10.669 1.00 0.00 H new ATOM 665 N LEU A 45 3.323 0.174 -5.439 1.00 0.00 N ATOM 666 CA LEU A 45 2.669 0.844 -4.308 1.00 0.00 C ATOM 667 C LEU A 45 3.202 2.279 -4.173 1.00 0.00 C ATOM 668 O LEU A 45 4.416 2.485 -4.107 1.00 0.00 O ATOM 669 CB LEU A 45 2.916 -0.005 -3.042 1.00 0.00 C ATOM 670 CG LEU A 45 2.533 0.650 -1.699 1.00 0.00 C ATOM 671 CD1 LEU A 45 1.036 0.932 -1.585 1.00 0.00 C ATOM 672 CD2 LEU A 45 2.937 -0.272 -0.548 1.00 0.00 C ATOM 0 H LEU A 45 4.331 0.331 -5.447 1.00 0.00 H new ATOM 0 HA LEU A 45 1.593 0.926 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.359 -0.937 -3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.973 -0.268 -3.006 1.00 0.00 H new ATOM 0 HG LEU A 45 3.061 1.602 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.825 1.393 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.731 1.608 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.482 -0.003 -1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.666 0.191 0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.419 -1.226 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.014 -0.439 -0.576 1.00 0.00 H new ATOM 684 N THR A 46 2.302 3.264 -4.117 1.00 0.00 N ATOM 685 CA THR A 46 2.639 4.697 -4.029 1.00 0.00 C ATOM 686 C THR A 46 1.708 5.468 -3.090 1.00 0.00 C ATOM 687 O THR A 46 0.560 5.080 -2.851 1.00 0.00 O ATOM 688 CB THR A 46 2.653 5.379 -5.414 1.00 0.00 C ATOM 689 OG1 THR A 46 1.383 5.329 -6.027 1.00 0.00 O ATOM 690 CG2 THR A 46 3.668 4.786 -6.392 1.00 0.00 C ATOM 0 H THR A 46 1.297 3.090 -4.132 1.00 0.00 H new ATOM 0 HA THR A 46 3.645 4.729 -3.612 1.00 0.00 H new ATOM 0 HB THR A 46 2.945 6.408 -5.204 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.424 5.770 -6.901 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.615 5.320 -7.340 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.672 4.882 -5.978 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.442 3.732 -6.556 1.00 0.00 H new ATOM 698 N TYR A 47 2.208 6.585 -2.562 1.00 0.00 N ATOM 699 CA TYR A 47 1.480 7.549 -1.732 1.00 0.00 C ATOM 700 C TYR A 47 2.002 8.972 -1.997 1.00 0.00 C ATOM 701 O TYR A 47 3.200 9.171 -2.204 1.00 0.00 O ATOM 702 CB TYR A 47 1.583 7.149 -0.249 1.00 0.00 C ATOM 703 CG TYR A 47 1.295 8.276 0.726 1.00 0.00 C ATOM 704 CD1 TYR A 47 -0.016 8.768 0.875 1.00 0.00 C ATOM 705 CD2 TYR A 47 2.358 8.884 1.424 1.00 0.00 C ATOM 706 CE1 TYR A 47 -0.258 9.889 1.694 1.00 0.00 C ATOM 707 CE2 TYR A 47 2.118 9.992 2.258 1.00 0.00 C ATOM 708 CZ TYR A 47 0.809 10.505 2.385 1.00 0.00 C ATOM 709 OH TYR A 47 0.574 11.611 3.142 1.00 0.00 O ATOM 0 H TYR A 47 3.180 6.857 -2.708 1.00 0.00 H new ATOM 0 HA TYR A 47 0.422 7.541 -1.995 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.888 6.332 -0.057 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.585 6.766 -0.057 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.835 8.287 0.362 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.361 8.498 1.318 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.261 10.278 1.793 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.933 10.449 2.799 1.00 0.00 H new ATOM 0 HH TYR A 47 1.412 11.911 3.552 1.00 0.00 H new ATOM 719 N LYS A 48 1.098 9.961 -2.042 1.00 0.00 N ATOM 720 CA LYS A 48 1.388 11.382 -2.339 1.00 0.00 C ATOM 721 C LYS A 48 2.219 11.600 -3.626 1.00 0.00 C ATOM 722 O LYS A 48 3.066 12.492 -3.698 1.00 0.00 O ATOM 723 CB LYS A 48 1.971 12.060 -1.078 1.00 0.00 C ATOM 724 CG LYS A 48 1.624 13.557 -0.977 1.00 0.00 C ATOM 725 CD LYS A 48 0.176 13.786 -0.512 1.00 0.00 C ATOM 726 CE LYS A 48 -0.208 15.261 -0.674 1.00 0.00 C ATOM 727 NZ LYS A 48 -1.607 15.513 -0.243 1.00 0.00 N ATOM 0 H LYS A 48 0.107 9.793 -1.867 1.00 0.00 H new ATOM 0 HA LYS A 48 0.449 11.879 -2.580 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.597 11.547 -0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.055 11.944 -1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.309 14.041 -0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.771 14.029 -1.948 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.503 13.161 -1.092 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.070 13.488 0.531 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.471 15.881 -0.088 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.089 15.556 -1.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.832 16.521 -0.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.256 14.940 -0.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.713 15.255 0.759 1.00 0.00 H new ATOM 741 N GLY A 49 1.993 10.758 -4.639 1.00 0.00 N ATOM 742 CA GLY A 49 2.712 10.778 -5.923 1.00 0.00 C ATOM 743 C GLY A 49 4.147 10.222 -5.882 1.00 0.00 C ATOM 744 O GLY A 49 4.916 10.461 -6.818 1.00 0.00 O ATOM 0 H GLY A 49 1.287 10.023 -4.590 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.138 10.204 -6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.748 11.806 -6.284 1.00 0.00 H new ATOM 748 N ARG A 50 4.524 9.501 -4.814 1.00 0.00 N ATOM 749 CA ARG A 50 5.885 9.005 -4.536 1.00 0.00 C ATOM 750 C ARG A 50 5.884 7.514 -4.178 1.00 0.00 C ATOM 751 O ARG A 50 4.953 7.019 -3.537 1.00 0.00 O ATOM 752 CB ARG A 50 6.477 9.885 -3.416 1.00 0.00 C ATOM 753 CG ARG A 50 7.978 9.680 -3.168 1.00 0.00 C ATOM 754 CD ARG A 50 8.474 10.692 -2.127 1.00 0.00 C ATOM 755 NE ARG A 50 9.928 10.578 -1.898 1.00 0.00 N ATOM 756 CZ ARG A 50 10.675 11.399 -1.180 1.00 0.00 C ATOM 757 NH1 ARG A 50 10.174 12.430 -0.556 1.00 0.00 N ATOM 758 NH2 ARG A 50 11.958 11.202 -1.073 1.00 0.00 N ATOM 0 H ARG A 50 3.860 9.235 -4.087 1.00 0.00 H new ATOM 0 HA ARG A 50 6.508 9.081 -5.427 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.303 10.932 -3.664 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.938 9.683 -2.490 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.163 8.664 -2.819 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.530 9.802 -4.100 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.237 11.702 -2.461 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.945 10.535 -1.187 1.00 0.00 H new ATOM 0 HE ARG A 50 10.402 9.789 -2.337 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.174 12.624 -0.613 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.782 13.041 -0.011 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.393 10.410 -1.545 1.00 0.00 H new ATOM 0 HH22 ARG A 50 12.527 11.840 -0.517 1.00 0.00 H new ATOM 772 N ALA A 51 6.928 6.790 -4.577 1.00 0.00 N ATOM 773 CA ALA A 51 7.166 5.407 -4.159 1.00 0.00 C ATOM 774 C ALA A 51 7.836 5.366 -2.771 1.00 0.00 C ATOM 775 O ALA A 51 8.939 5.890 -2.593 1.00 0.00 O ATOM 776 CB ALA A 51 8.013 4.708 -5.229 1.00 0.00 C ATOM 0 H ALA A 51 7.643 7.151 -5.208 1.00 0.00 H new ATOM 0 HA ALA A 51 6.219 4.876 -4.064 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.198 3.676 -4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.480 4.720 -6.180 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.964 5.230 -5.339 1.00 0.00 H new ATOM 782 N LEU A 52 7.178 4.743 -1.789 1.00 0.00 N ATOM 783 CA LEU A 52 7.717 4.529 -0.437 1.00 0.00 C ATOM 784 C LEU A 52 8.400 3.155 -0.349 1.00 0.00 C ATOM 785 O LEU A 52 7.845 2.151 -0.806 1.00 0.00 O ATOM 786 CB LEU A 52 6.594 4.669 0.613 1.00 0.00 C ATOM 787 CG LEU A 52 6.305 6.113 1.074 1.00 0.00 C ATOM 788 CD1 LEU A 52 5.851 7.048 -0.048 1.00 0.00 C ATOM 789 CD2 LEU A 52 5.215 6.091 2.146 1.00 0.00 C ATOM 0 H LEU A 52 6.238 4.365 -1.911 1.00 0.00 H new ATOM 0 HA LEU A 52 8.468 5.290 -0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.678 4.245 0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.857 4.071 1.486 1.00 0.00 H new ATOM 0 HG LEU A 52 7.249 6.502 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.669 8.043 0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.627 7.105 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.933 6.664 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.007 7.109 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.307 5.651 1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.552 5.497 2.996 1.00 0.00 H new ATOM 801 N LYS A 53 9.588 3.104 0.265 1.00 0.00 N ATOM 802 CA LYS A 53 10.374 1.885 0.546 1.00 0.00 C ATOM 803 C LYS A 53 11.404 2.163 1.655 1.00 0.00 C ATOM 804 O LYS A 53 11.876 3.293 1.783 1.00 0.00 O ATOM 805 CB LYS A 53 11.057 1.411 -0.757 1.00 0.00 C ATOM 806 CG LYS A 53 11.561 -0.040 -0.673 1.00 0.00 C ATOM 807 CD LYS A 53 12.263 -0.519 -1.953 1.00 0.00 C ATOM 808 CE LYS A 53 11.311 -0.600 -3.155 1.00 0.00 C ATOM 809 NZ LYS A 53 12.003 -1.134 -4.358 1.00 0.00 N ATOM 0 H LYS A 53 10.054 3.948 0.597 1.00 0.00 H new ATOM 0 HA LYS A 53 9.716 1.091 0.901 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.352 1.498 -1.584 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.896 2.070 -0.982 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.252 -0.129 0.166 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.718 -0.698 -0.462 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.083 0.160 -2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.703 -1.501 -1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.463 -1.238 -2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.911 0.391 -3.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.334 -1.177 -5.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.797 -0.510 -4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.363 -2.089 -4.156 1.00 0.00 H new ATOM 823 N ASP A 54 11.748 1.147 2.452 1.00 0.00 N ATOM 824 CA ASP A 54 12.743 1.209 3.547 1.00 0.00 C ATOM 825 C ASP A 54 12.465 2.294 4.618 1.00 0.00 C ATOM 826 O ASP A 54 13.383 2.804 5.266 1.00 0.00 O ATOM 827 CB ASP A 54 14.182 1.258 2.987 1.00 0.00 C ATOM 828 CG ASP A 54 14.553 0.090 2.056 1.00 0.00 C ATOM 829 OD1 ASP A 54 14.002 -1.027 2.203 1.00 0.00 O ATOM 830 OD2 ASP A 54 15.446 0.278 1.193 1.00 0.00 O ATOM 0 H ASP A 54 11.331 0.221 2.356 1.00 0.00 H new ATOM 0 HA ASP A 54 12.635 0.277 4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.313 2.193 2.443 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.882 1.274 3.823 1.00 0.00 H new ATOM 835 N THR A 55 11.193 2.662 4.814 1.00 0.00 N ATOM 836 CA THR A 55 10.763 3.726 5.745 1.00 0.00 C ATOM 837 C THR A 55 10.860 3.326 7.224 1.00 0.00 C ATOM 838 O THR A 55 10.983 4.198 8.083 1.00 0.00 O ATOM 839 CB THR A 55 9.309 4.143 5.449 1.00 0.00 C ATOM 840 OG1 THR A 55 8.439 3.039 5.593 1.00 0.00 O ATOM 841 CG2 THR A 55 9.121 4.672 4.027 1.00 0.00 C ATOM 0 H THR A 55 10.414 2.223 4.323 1.00 0.00 H new ATOM 0 HA THR A 55 11.451 4.555 5.580 1.00 0.00 H new ATOM 0 HB THR A 55 9.080 4.935 6.162 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.522 3.360 5.722 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.078 4.950 3.877 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.754 5.546 3.877 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.397 3.898 3.311 1.00 0.00 H new ATOM 849 N GLU A 56 10.779 2.023 7.525 1.00 0.00 N ATOM 850 CA GLU A 56 10.599 1.388 8.850 1.00 0.00 C ATOM 851 C GLU A 56 9.290 1.761 9.583 1.00 0.00 C ATOM 852 O GLU A 56 8.600 0.883 10.101 1.00 0.00 O ATOM 853 CB GLU A 56 11.857 1.582 9.719 1.00 0.00 C ATOM 854 CG GLU A 56 11.788 0.798 11.039 1.00 0.00 C ATOM 855 CD GLU A 56 13.144 0.740 11.776 1.00 0.00 C ATOM 856 OE1 GLU A 56 13.916 1.731 11.755 1.00 0.00 O ATOM 857 OE2 GLU A 56 13.442 -0.302 12.410 1.00 0.00 O ATOM 0 H GLU A 56 10.843 1.320 6.788 1.00 0.00 H new ATOM 0 HA GLU A 56 10.477 0.322 8.659 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.735 1.264 9.157 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.984 2.642 9.936 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.046 1.259 11.691 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.447 -0.217 10.835 1.00 0.00 H new ATOM 864 N THR A 57 8.907 3.039 9.588 1.00 0.00 N ATOM 865 CA THR A 57 7.644 3.564 10.131 1.00 0.00 C ATOM 866 C THR A 57 7.270 4.881 9.448 1.00 0.00 C ATOM 867 O THR A 57 8.138 5.699 9.130 1.00 0.00 O ATOM 868 CB THR A 57 7.719 3.734 11.661 1.00 0.00 C ATOM 869 OG1 THR A 57 6.549 4.371 12.127 1.00 0.00 O ATOM 870 CG2 THR A 57 8.897 4.575 12.161 1.00 0.00 C ATOM 0 H THR A 57 9.494 3.775 9.196 1.00 0.00 H new ATOM 0 HA THR A 57 6.860 2.837 9.921 1.00 0.00 H new ATOM 0 HB THR A 57 7.842 2.721 12.043 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.599 4.476 13.100 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.864 4.637 13.249 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.833 4.110 11.852 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.834 5.578 11.738 1.00 0.00 H new ATOM 878 N LEU A 58 5.969 5.126 9.254 1.00 0.00 N ATOM 879 CA LEU A 58 5.458 6.408 8.752 1.00 0.00 C ATOM 880 C LEU A 58 5.729 7.561 9.737 1.00 0.00 C ATOM 881 O LEU A 58 5.756 8.718 9.324 1.00 0.00 O ATOM 882 CB LEU A 58 3.950 6.290 8.436 1.00 0.00 C ATOM 883 CG LEU A 58 3.557 5.640 7.092 1.00 0.00 C ATOM 884 CD1 LEU A 58 4.050 6.447 5.888 1.00 0.00 C ATOM 885 CD2 LEU A 58 4.042 4.199 6.934 1.00 0.00 C ATOM 0 H LEU A 58 5.238 4.439 9.441 1.00 0.00 H new ATOM 0 HA LEU A 58 5.993 6.646 7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.481 5.718 9.237 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.520 7.291 8.465 1.00 0.00 H new ATOM 0 HG LEU A 58 2.467 5.633 7.115 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.748 5.948 4.967 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.617 7.447 5.918 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.137 6.522 5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.726 3.813 5.965 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.130 4.172 6.999 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.616 3.583 7.726 1.00 0.00 H new ATOM 897 N GLU A 59 6.006 7.278 11.016 1.00 0.00 N ATOM 898 CA GLU A 59 6.415 8.290 12.003 1.00 0.00 C ATOM 899 C GLU A 59 7.776 8.938 11.666 1.00 0.00 C ATOM 900 O GLU A 59 8.016 10.091 12.031 1.00 0.00 O ATOM 901 CB GLU A 59 6.396 7.649 13.403 1.00 0.00 C ATOM 902 CG GLU A 59 6.621 8.666 14.534 1.00 0.00 C ATOM 903 CD GLU A 59 6.387 8.063 15.935 1.00 0.00 C ATOM 904 OE1 GLU A 59 5.329 7.433 16.177 1.00 0.00 O ATOM 905 OE2 GLU A 59 7.255 8.246 16.825 1.00 0.00 O ATOM 0 H GLU A 59 5.953 6.334 11.399 1.00 0.00 H new ATOM 0 HA GLU A 59 5.703 9.115 11.979 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.438 7.151 13.555 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.167 6.880 13.455 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.639 9.050 14.474 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.952 9.514 14.392 1.00 0.00 H new ATOM 912 N SER A 60 8.636 8.251 10.901 1.00 0.00 N ATOM 913 CA SER A 60 9.896 8.808 10.382 1.00 0.00 C ATOM 914 C SER A 60 9.659 9.906 9.329 1.00 0.00 C ATOM 915 O SER A 60 10.362 10.921 9.308 1.00 0.00 O ATOM 916 CB SER A 60 10.747 7.670 9.798 1.00 0.00 C ATOM 917 OG SER A 60 12.020 8.145 9.394 1.00 0.00 O ATOM 0 H SER A 60 8.476 7.283 10.622 1.00 0.00 H new ATOM 0 HA SER A 60 10.426 9.280 11.209 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.868 6.883 10.542 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.233 7.227 8.945 1.00 0.00 H new ATOM 0 HG SER A 60 12.545 7.403 9.027 1.00 0.00 H new ATOM 923 N LEU A 61 8.629 9.739 8.488 1.00 0.00 N ATOM 924 CA LEU A 61 8.187 10.726 7.488 1.00 0.00 C ATOM 925 C LEU A 61 7.209 11.779 8.058 1.00 0.00 C ATOM 926 O LEU A 61 7.059 12.860 7.483 1.00 0.00 O ATOM 927 CB LEU A 61 7.543 9.985 6.297 1.00 0.00 C ATOM 928 CG LEU A 61 8.412 8.902 5.624 1.00 0.00 C ATOM 929 CD1 LEU A 61 7.670 8.334 4.414 1.00 0.00 C ATOM 930 CD2 LEU A 61 9.761 9.437 5.139 1.00 0.00 C ATOM 0 H LEU A 61 8.063 8.890 8.483 1.00 0.00 H new ATOM 0 HA LEU A 61 9.069 11.278 7.163 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.619 9.520 6.641 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.267 10.722 5.543 1.00 0.00 H new ATOM 0 HG LEU A 61 8.599 8.138 6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.283 7.569 3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.727 7.894 4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.470 9.134 3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.327 8.629 4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.597 10.231 4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.321 9.833 5.986 1.00 0.00 H new ATOM 942 N GLY A 62 6.556 11.468 9.182 1.00 0.00 N ATOM 943 CA GLY A 62 5.476 12.235 9.810 1.00 0.00 C ATOM 944 C GLY A 62 4.094 11.652 9.480 1.00 0.00 C ATOM 945 O GLY A 62 3.675 11.640 8.319 1.00 0.00 O ATOM 0 H GLY A 62 6.781 10.624 9.709 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.618 12.244 10.891 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.523 13.271 9.474 1.00 0.00 H new ATOM 949 N VAL A 63 3.383 11.164 10.504 1.00 0.00 N ATOM 950 CA VAL A 63 2.041 10.552 10.386 1.00 0.00 C ATOM 951 C VAL A 63 0.913 11.583 10.227 1.00 0.00 C ATOM 952 O VAL A 63 0.992 12.704 10.740 1.00 0.00 O ATOM 953 CB VAL A 63 1.716 9.624 11.580 1.00 0.00 C ATOM 954 CG1 VAL A 63 2.500 8.314 11.485 1.00 0.00 C ATOM 955 CG2 VAL A 63 1.973 10.261 12.953 1.00 0.00 C ATOM 0 H VAL A 63 3.728 11.181 11.464 1.00 0.00 H new ATOM 0 HA VAL A 63 2.087 9.960 9.472 1.00 0.00 H new ATOM 0 HB VAL A 63 0.645 9.433 11.507 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.253 7.680 12.336 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.238 7.799 10.561 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.569 8.528 11.490 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.721 9.548 13.738 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.025 10.535 13.036 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.356 11.153 13.062 1.00 0.00 H new ATOM 965 N ALA A 64 -0.167 11.169 9.559 1.00 0.00 N ATOM 966 CA ALA A 64 -1.448 11.872 9.456 1.00 0.00 C ATOM 967 C ALA A 64 -2.602 10.874 9.199 1.00 0.00 C ATOM 968 O ALA A 64 -2.373 9.720 8.825 1.00 0.00 O ATOM 969 CB ALA A 64 -1.351 12.932 8.348 1.00 0.00 C ATOM 0 H ALA A 64 -0.171 10.286 9.048 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.669 12.374 10.398 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.301 13.460 8.265 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.561 13.642 8.592 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.122 12.447 7.399 1.00 0.00 H new ATOM 975 N ASP A 65 -3.849 11.303 9.412 1.00 0.00 N ATOM 976 CA ASP A 65 -5.058 10.540 9.058 1.00 0.00 C ATOM 977 C ASP A 65 -5.569 10.856 7.643 1.00 0.00 C ATOM 978 O ASP A 65 -5.426 11.976 7.140 1.00 0.00 O ATOM 979 CB ASP A 65 -6.164 10.775 10.098 1.00 0.00 C ATOM 980 CG ASP A 65 -5.865 10.092 11.438 1.00 0.00 C ATOM 981 OD1 ASP A 65 -5.424 8.917 11.426 1.00 0.00 O ATOM 982 OD2 ASP A 65 -6.109 10.706 12.503 1.00 0.00 O ATOM 0 H ASP A 65 -4.055 12.205 9.842 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.780 9.486 9.062 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.285 11.846 10.259 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.111 10.402 9.707 1.00 0.00 H new ATOM 987 N GLY A 66 -6.207 9.864 7.012 1.00 0.00 N ATOM 988 CA GLY A 66 -6.777 9.961 5.664 1.00 0.00 C ATOM 989 C GLY A 66 -5.772 9.749 4.523 1.00 0.00 C ATOM 990 O GLY A 66 -6.099 10.019 3.366 1.00 0.00 O ATOM 0 H GLY A 66 -6.345 8.947 7.437 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.575 9.224 5.568 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.235 10.943 5.548 1.00 0.00 H new ATOM 994 N ASP A 67 -4.558 9.270 4.821 1.00 0.00 N ATOM 995 CA ASP A 67 -3.529 8.958 3.818 1.00 0.00 C ATOM 996 C ASP A 67 -4.012 7.848 2.869 1.00 0.00 C ATOM 997 O ASP A 67 -4.339 6.746 3.320 1.00 0.00 O ATOM 998 CB ASP A 67 -2.208 8.542 4.493 1.00 0.00 C ATOM 999 CG ASP A 67 -1.519 9.637 5.332 1.00 0.00 C ATOM 1000 OD1 ASP A 67 -1.979 10.803 5.350 1.00 0.00 O ATOM 1001 OD2 ASP A 67 -0.485 9.318 5.969 1.00 0.00 O ATOM 0 H ASP A 67 -4.258 9.085 5.778 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.348 9.861 3.235 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.403 7.684 5.137 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.514 8.210 3.721 1.00 0.00 H new ATOM 1006 N LYS A 68 -4.070 8.135 1.559 1.00 0.00 N ATOM 1007 CA LYS A 68 -4.580 7.209 0.534 1.00 0.00 C ATOM 1008 C LYS A 68 -3.451 6.609 -0.314 1.00 0.00 C ATOM 1009 O LYS A 68 -2.751 7.317 -1.041 1.00 0.00 O ATOM 1010 CB LYS A 68 -5.745 7.848 -0.252 1.00 0.00 C ATOM 1011 CG LYS A 68 -5.379 8.953 -1.258 1.00 0.00 C ATOM 1012 CD LYS A 68 -5.330 8.424 -2.702 1.00 0.00 C ATOM 1013 CE LYS A 68 -4.866 9.489 -3.703 1.00 0.00 C ATOM 1014 NZ LYS A 68 -3.425 9.819 -3.542 1.00 0.00 N ATOM 0 H LYS A 68 -3.760 9.028 1.176 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.018 6.338 1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.266 7.057 -0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.452 8.263 0.466 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.109 9.760 -1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.410 9.377 -0.994 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.657 7.568 -2.749 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.319 8.067 -2.989 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.045 9.134 -4.718 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.461 10.393 -3.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.134 10.479 -4.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.272 10.261 -2.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.860 8.948 -3.609 1.00 0.00 H new ATOM 1028 N PHE A 69 -3.272 5.297 -0.201 1.00 0.00 N ATOM 1029 CA PHE A 69 -2.257 4.512 -0.906 1.00 0.00 C ATOM 1030 C PHE A 69 -2.832 3.930 -2.204 1.00 0.00 C ATOM 1031 O PHE A 69 -3.850 3.240 -2.178 1.00 0.00 O ATOM 1032 CB PHE A 69 -1.748 3.401 0.026 1.00 0.00 C ATOM 1033 CG PHE A 69 -1.008 3.902 1.256 1.00 0.00 C ATOM 1034 CD1 PHE A 69 -1.719 4.294 2.410 1.00 0.00 C ATOM 1035 CD2 PHE A 69 0.398 3.988 1.246 1.00 0.00 C ATOM 1036 CE1 PHE A 69 -1.032 4.786 3.533 1.00 0.00 C ATOM 1037 CE2 PHE A 69 1.086 4.475 2.374 1.00 0.00 C ATOM 1038 CZ PHE A 69 0.370 4.878 3.516 1.00 0.00 C ATOM 0 H PHE A 69 -3.854 4.724 0.410 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.421 5.155 -1.181 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.596 2.797 0.348 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.086 2.745 -0.539 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -2.796 4.216 2.430 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.950 3.679 0.370 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -1.582 5.094 4.410 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.164 4.539 2.362 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.897 5.258 4.379 1.00 0.00 H new ATOM 1048 N VAL A 70 -2.183 4.179 -3.341 1.00 0.00 N ATOM 1049 CA VAL A 70 -2.558 3.596 -4.642 1.00 0.00 C ATOM 1050 C VAL A 70 -1.701 2.359 -4.911 1.00 0.00 C ATOM 1051 O VAL A 70 -0.479 2.407 -4.740 1.00 0.00 O ATOM 1052 CB VAL A 70 -2.447 4.635 -5.777 1.00 0.00 C ATOM 1053 CG1 VAL A 70 -2.788 4.032 -7.145 1.00 0.00 C ATOM 1054 CG2 VAL A 70 -3.401 5.813 -5.532 1.00 0.00 C ATOM 0 H VAL A 70 -1.373 4.797 -3.392 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.604 3.290 -4.608 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.411 4.974 -5.781 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.697 4.799 -7.914 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.101 3.215 -7.364 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.810 3.652 -7.131 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.306 6.533 -6.345 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.427 5.447 -5.489 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.148 6.296 -4.588 1.00 0.00 H new ATOM 1064 N LEU A 71 -2.330 1.259 -5.338 1.00 0.00 N ATOM 1065 CA LEU A 71 -1.658 -0.016 -5.598 1.00 0.00 C ATOM 1066 C LEU A 71 -2.040 -0.575 -6.976 1.00 0.00 C ATOM 1067 O LEU A 71 -3.218 -0.774 -7.274 1.00 0.00 O ATOM 1068 CB LEU A 71 -1.925 -0.976 -4.422 1.00 0.00 C ATOM 1069 CG LEU A 71 -1.099 -2.276 -4.486 1.00 0.00 C ATOM 1070 CD1 LEU A 71 -0.782 -2.764 -3.073 1.00 0.00 C ATOM 1071 CD2 LEU A 71 -1.831 -3.408 -5.214 1.00 0.00 C ATOM 0 H LEU A 71 -3.334 1.230 -5.515 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.579 0.127 -5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.705 -0.461 -3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.985 -1.230 -4.404 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.191 -2.034 -5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.198 -3.683 -3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.210 -2.002 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.712 -2.956 -2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.202 -4.298 -5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.763 -3.631 -4.695 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.049 -3.101 -6.237 1.00 0.00 H new ATOM 1083 N ILE A 72 -1.037 -0.827 -7.816 1.00 0.00 N ATOM 1084 CA ILE A 72 -1.191 -1.191 -9.231 1.00 0.00 C ATOM 1085 C ILE A 72 -0.636 -2.599 -9.478 1.00 0.00 C ATOM 1086 O ILE A 72 0.548 -2.848 -9.244 1.00 0.00 O ATOM 1087 CB ILE A 72 -0.494 -0.140 -10.132 1.00 0.00 C ATOM 1088 CG1 ILE A 72 -0.958 1.315 -9.881 1.00 0.00 C ATOM 1089 CG2 ILE A 72 -0.651 -0.500 -11.622 1.00 0.00 C ATOM 1090 CD1 ILE A 72 -2.454 1.587 -10.090 1.00 0.00 C ATOM 0 H ILE A 72 -0.061 -0.783 -7.524 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.251 -1.200 -9.486 1.00 0.00 H new ATOM 0 HB ILE A 72 0.560 -0.175 -9.855 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.698 1.587 -8.858 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.393 1.975 -10.540 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.153 0.253 -12.233 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.201 -1.475 -11.810 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.710 -0.533 -11.879 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.665 2.637 -9.886 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.725 1.355 -11.120 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.036 0.962 -9.412 1.00 0.00 H new ATOM 1102 N THR A 73 -1.471 -3.511 -9.986 1.00 0.00 N ATOM 1103 CA THR A 73 -1.024 -4.813 -10.516 1.00 0.00 C ATOM 1104 C THR A 73 -0.508 -4.672 -11.953 1.00 0.00 C ATOM 1105 O THR A 73 -1.063 -3.908 -12.750 1.00 0.00 O ATOM 1106 CB THR A 73 -2.134 -5.878 -10.412 1.00 0.00 C ATOM 1107 OG1 THR A 73 -1.616 -7.163 -10.683 1.00 0.00 O ATOM 1108 CG2 THR A 73 -3.329 -5.667 -11.349 1.00 0.00 C ATOM 0 H THR A 73 -2.480 -3.371 -10.044 1.00 0.00 H new ATOM 0 HA THR A 73 -0.194 -5.156 -9.899 1.00 0.00 H new ATOM 0 HB THR A 73 -2.496 -5.782 -9.388 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.333 -7.827 -10.611 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.054 -6.467 -11.200 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.798 -4.708 -11.130 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.986 -5.676 -12.384 1.00 0.00 H new ATOM 1116 N ARG A 74 0.538 -5.424 -12.311 1.00 0.00 N ATOM 1117 CA ARG A 74 0.981 -5.599 -13.704 1.00 0.00 C ATOM 1118 C ARG A 74 0.072 -6.606 -14.432 1.00 0.00 C ATOM 1119 O ARG A 74 -0.494 -7.503 -13.803 1.00 0.00 O ATOM 1120 CB ARG A 74 2.470 -6.011 -13.716 1.00 0.00 C ATOM 1121 CG ARG A 74 3.190 -5.828 -15.065 1.00 0.00 C ATOM 1122 CD ARG A 74 3.374 -4.349 -15.449 1.00 0.00 C ATOM 1123 NE ARG A 74 3.878 -4.196 -16.829 1.00 0.00 N ATOM 1124 CZ ARG A 74 5.134 -4.225 -17.242 1.00 0.00 C ATOM 1125 NH1 ARG A 74 6.134 -4.437 -16.433 1.00 0.00 N ATOM 1126 NH2 ARG A 74 5.412 -4.037 -18.499 1.00 0.00 N ATOM 0 H ARG A 74 1.109 -5.935 -11.637 1.00 0.00 H new ATOM 0 HA ARG A 74 0.896 -4.659 -14.250 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.997 -5.430 -12.959 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.543 -7.058 -13.422 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.166 -6.310 -15.019 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.622 -6.333 -15.846 1.00 0.00 H new ATOM 0 HD2 ARG A 74 2.422 -3.827 -15.350 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.069 -3.878 -14.754 1.00 0.00 H new ATOM 0 HE ARG A 74 3.172 -4.050 -17.551 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.963 -4.589 -15.439 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.088 -4.451 -16.794 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.661 -3.867 -19.168 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.381 -4.060 -18.816 1.00 0.00 H new