USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 746 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+ 177:sc= -0.337 (180deg=-0.427) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -69:sc= 1.08 USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= -3.52 (180deg=-4.18) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.332 USER MOD Single : A 40 SER OG : rot 66:sc= 0.447 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 164:sc=-0.00724 (180deg=-0.144) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= -0.344 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.92 X(o=-0.92,f=-0.63) USER MOD Single : A 56 SER OG : rot -25:sc= 0.346 USER MOD Single : A 57 LYS NZ :NH3+ -112:sc= 1.01 (180deg=-0.732) USER MOD Single : A 60 LYS NZ :NH3+ -122:sc= -2.89 (180deg=-5.6!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 85:sc= 0.445 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc=-0.00842 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.055 0.456 -13.237 1.00 0.00 N ATOM 2 CA MET A 1 -16.600 0.160 -14.592 1.00 0.00 C ATOM 3 C MET A 1 -16.737 1.461 -15.389 1.00 0.00 C ATOM 4 O MET A 1 -16.987 1.446 -16.579 1.00 0.00 O ATOM 5 CB MET A 1 -17.974 -0.511 -14.458 1.00 0.00 C ATOM 6 CG MET A 1 -18.928 0.407 -13.686 1.00 0.00 C ATOM 7 SD MET A 1 -20.624 -0.205 -13.859 1.00 0.00 S ATOM 8 CE MET A 1 -21.407 0.963 -12.718 1.00 0.00 C ATOM 0 H1 MET A 1 -16.011 -0.422 -12.681 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.100 0.857 -13.327 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.674 1.140 -12.756 1.00 0.00 H new ATOM 0 HA MET A 1 -15.920 -0.512 -15.116 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.382 -0.726 -15.446 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.874 -1.465 -13.940 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.647 0.439 -12.633 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.857 1.426 -14.066 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.477 0.763 -12.670 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.972 0.849 -11.725 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.244 1.981 -13.071 1.00 0.00 H new ATOM 17 N GLU A 2 -16.578 2.586 -14.739 1.00 0.00 N ATOM 18 CA GLU A 2 -16.701 3.889 -15.456 1.00 0.00 C ATOM 19 C GLU A 2 -15.909 4.965 -14.702 1.00 0.00 C ATOM 20 O GLU A 2 -14.792 4.738 -14.278 1.00 0.00 O ATOM 21 CB GLU A 2 -18.183 4.281 -15.540 1.00 0.00 C ATOM 22 CG GLU A 2 -18.416 5.187 -16.756 1.00 0.00 C ATOM 23 CD GLU A 2 -18.165 4.397 -18.044 1.00 0.00 C ATOM 24 OE1 GLU A 2 -19.038 3.640 -18.433 1.00 0.00 O ATOM 25 OE2 GLU A 2 -17.101 4.564 -18.622 1.00 0.00 O ATOM 0 H GLU A 2 -16.368 2.657 -13.743 1.00 0.00 H new ATOM 0 HA GLU A 2 -16.298 3.797 -16.465 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -18.801 3.386 -15.619 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -18.484 4.797 -14.628 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -19.436 5.570 -16.746 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -17.751 6.050 -16.712 1.00 0.00 H new ATOM 32 N LYS A 3 -16.474 6.136 -14.537 1.00 0.00 N ATOM 33 CA LYS A 3 -15.753 7.227 -13.817 1.00 0.00 C ATOM 34 C LYS A 3 -15.771 6.957 -12.308 1.00 0.00 C ATOM 35 O LYS A 3 -15.396 7.800 -11.516 1.00 0.00 O ATOM 36 CB LYS A 3 -16.444 8.566 -14.106 1.00 0.00 C ATOM 37 CG LYS A 3 -15.388 9.647 -14.356 1.00 0.00 C ATOM 38 CD LYS A 3 -16.069 11.015 -14.471 1.00 0.00 C ATOM 39 CE LYS A 3 -15.096 12.025 -15.086 1.00 0.00 C ATOM 40 NZ LYS A 3 -15.138 11.914 -16.572 1.00 0.00 N ATOM 0 H LYS A 3 -17.406 6.382 -14.871 1.00 0.00 H new ATOM 0 HA LYS A 3 -14.719 7.264 -14.160 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.094 8.471 -14.976 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.077 8.849 -13.265 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -14.664 9.657 -13.541 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -14.836 9.426 -15.270 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -16.964 10.936 -15.088 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -16.389 11.357 -13.487 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -15.362 13.036 -14.779 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -14.085 11.838 -14.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.477 12.600 -16.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.864 10.952 -16.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.102 12.113 -16.908 1.00 0.00 H new ATOM 54 N GLY A 4 -16.198 5.786 -11.905 1.00 0.00 N ATOM 55 CA GLY A 4 -16.235 5.454 -10.450 1.00 0.00 C ATOM 56 C GLY A 4 -15.121 4.457 -10.127 1.00 0.00 C ATOM 57 O GLY A 4 -15.248 3.650 -9.228 1.00 0.00 O ATOM 0 H GLY A 4 -16.523 5.044 -12.525 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.111 6.359 -9.856 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.204 5.031 -10.187 1.00 0.00 H new ATOM 61 N GLY A 5 -14.041 4.507 -10.877 1.00 0.00 N ATOM 62 CA GLY A 5 -12.886 3.570 -10.664 1.00 0.00 C ATOM 63 C GLY A 5 -12.847 3.066 -9.217 1.00 0.00 C ATOM 64 O GLY A 5 -12.611 3.820 -8.292 1.00 0.00 O ATOM 0 H GLY A 5 -13.910 5.170 -11.641 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.969 2.723 -11.346 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.952 4.079 -10.901 1.00 0.00 H new ATOM 68 N GLU A 6 -13.085 1.794 -9.024 1.00 0.00 N ATOM 69 CA GLU A 6 -13.074 1.223 -7.647 1.00 0.00 C ATOM 70 C GLU A 6 -11.867 0.295 -7.486 1.00 0.00 C ATOM 71 O GLU A 6 -11.935 -0.704 -6.798 1.00 0.00 O ATOM 72 CB GLU A 6 -14.372 0.436 -7.414 1.00 0.00 C ATOM 73 CG GLU A 6 -14.801 0.561 -5.948 1.00 0.00 C ATOM 74 CD GLU A 6 -15.051 2.034 -5.606 1.00 0.00 C ATOM 75 OE1 GLU A 6 -16.019 2.583 -6.107 1.00 0.00 O ATOM 76 OE2 GLU A 6 -14.270 2.588 -4.849 1.00 0.00 O ATOM 0 H GLU A 6 -13.287 1.124 -9.766 1.00 0.00 H new ATOM 0 HA GLU A 6 -13.004 2.029 -6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.159 0.815 -8.066 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.223 -0.613 -7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.706 -0.021 -5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.028 0.153 -5.297 1.00 0.00 H new ATOM 83 N ALA A 7 -10.770 0.624 -8.127 1.00 0.00 N ATOM 84 CA ALA A 7 -9.538 -0.225 -8.037 1.00 0.00 C ATOM 85 C ALA A 7 -9.380 -0.779 -6.614 1.00 0.00 C ATOM 86 O ALA A 7 -9.793 -1.887 -6.324 1.00 0.00 O ATOM 87 CB ALA A 7 -8.316 0.624 -8.402 1.00 0.00 C ATOM 0 H ALA A 7 -10.675 1.452 -8.714 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.625 -1.062 -8.730 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.416 0.012 -8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.426 1.003 -9.418 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.235 1.462 -7.709 1.00 0.00 H new ATOM 93 N LEU A 8 -8.797 -0.018 -5.724 1.00 0.00 N ATOM 94 CA LEU A 8 -8.630 -0.492 -4.316 1.00 0.00 C ATOM 95 C LEU A 8 -9.091 0.614 -3.360 1.00 0.00 C ATOM 96 O LEU A 8 -9.042 0.465 -2.156 1.00 0.00 O ATOM 97 CB LEU A 8 -7.161 -0.844 -4.046 1.00 0.00 C ATOM 98 CG LEU A 8 -6.230 0.248 -4.586 1.00 0.00 C ATOM 99 CD1 LEU A 8 -6.316 1.495 -3.696 1.00 0.00 C ATOM 100 CD2 LEU A 8 -4.793 -0.282 -4.583 1.00 0.00 C ATOM 0 H LEU A 8 -8.428 0.914 -5.912 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.232 -1.387 -4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.003 -0.966 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.919 -1.798 -4.514 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.528 0.515 -5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.652 2.267 -4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.340 1.867 -3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.017 1.238 -2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.121 0.486 -4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.504 -0.543 -3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.730 -1.167 -5.216 1.00 0.00 H new ATOM 112 N LYS A 9 -9.520 1.730 -3.905 1.00 0.00 N ATOM 113 CA LYS A 9 -9.985 2.877 -3.065 1.00 0.00 C ATOM 114 C LYS A 9 -10.959 2.387 -1.980 1.00 0.00 C ATOM 115 O LYS A 9 -11.365 1.240 -1.964 1.00 0.00 O ATOM 116 CB LYS A 9 -10.695 3.895 -3.966 1.00 0.00 C ATOM 117 CG LYS A 9 -10.928 5.201 -3.200 1.00 0.00 C ATOM 118 CD LYS A 9 -11.255 6.325 -4.187 1.00 0.00 C ATOM 119 CE LYS A 9 -11.278 7.666 -3.449 1.00 0.00 C ATOM 120 NZ LYS A 9 -11.016 8.770 -4.415 1.00 0.00 N ATOM 0 H LYS A 9 -9.567 1.894 -4.911 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.125 3.339 -2.579 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.094 4.088 -4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.647 3.489 -4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.746 5.077 -2.491 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.041 5.458 -2.622 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.512 6.350 -4.984 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.221 6.140 -4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.245 7.812 -2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.525 7.672 -2.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.032 9.681 -3.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.084 8.633 -4.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.750 8.768 -5.152 1.00 0.00 H new ATOM 134 N GLY A 10 -11.349 3.256 -1.082 1.00 0.00 N ATOM 135 CA GLY A 10 -12.301 2.851 -0.005 1.00 0.00 C ATOM 136 C GLY A 10 -11.540 2.141 1.117 1.00 0.00 C ATOM 137 O GLY A 10 -12.047 1.973 2.210 1.00 0.00 O ATOM 0 H GLY A 10 -11.048 4.230 -1.049 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.814 3.728 0.389 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.067 2.191 -0.413 1.00 0.00 H new ATOM 141 N LEU A 11 -10.329 1.721 0.853 1.00 0.00 N ATOM 142 CA LEU A 11 -9.530 1.016 1.899 1.00 0.00 C ATOM 143 C LEU A 11 -8.418 1.932 2.408 1.00 0.00 C ATOM 144 O LEU A 11 -8.030 2.886 1.756 1.00 0.00 O ATOM 145 CB LEU A 11 -8.911 -0.250 1.298 1.00 0.00 C ATOM 146 CG LEU A 11 -9.976 -1.347 1.201 1.00 0.00 C ATOM 147 CD1 LEU A 11 -9.616 -2.316 0.071 1.00 0.00 C ATOM 148 CD2 LEU A 11 -10.046 -2.113 2.526 1.00 0.00 C ATOM 0 H LEU A 11 -9.858 1.837 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.183 0.748 2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.505 -0.035 0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.080 -0.590 1.916 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.944 -0.891 0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.375 -3.095 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.569 -1.773 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.647 -2.770 0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.804 -2.893 2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.077 -2.566 2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.307 -1.425 3.331 1.00 0.00 H new ATOM 160 N THR A 12 -7.903 1.640 3.573 1.00 0.00 N ATOM 161 CA THR A 12 -6.812 2.471 4.152 1.00 0.00 C ATOM 162 C THR A 12 -5.540 1.628 4.239 1.00 0.00 C ATOM 163 O THR A 12 -5.573 0.482 4.640 1.00 0.00 O ATOM 164 CB THR A 12 -7.224 2.938 5.554 1.00 0.00 C ATOM 165 OG1 THR A 12 -8.220 3.946 5.439 1.00 0.00 O ATOM 166 CG2 THR A 12 -6.009 3.504 6.298 1.00 0.00 C ATOM 0 H THR A 12 -8.196 0.853 4.152 1.00 0.00 H new ATOM 0 HA THR A 12 -6.629 3.342 3.523 1.00 0.00 H new ATOM 0 HB THR A 12 -7.619 2.090 6.113 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.487 4.246 6.333 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.312 3.833 7.292 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.245 2.731 6.388 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.605 4.351 5.743 1.00 0.00 H new ATOM 174 N PHE A 13 -4.420 2.190 3.870 1.00 0.00 N ATOM 175 CA PHE A 13 -3.138 1.430 3.934 1.00 0.00 C ATOM 176 C PHE A 13 -2.127 2.234 4.742 1.00 0.00 C ATOM 177 O PHE A 13 -2.045 3.442 4.626 1.00 0.00 O ATOM 178 CB PHE A 13 -2.597 1.200 2.517 1.00 0.00 C ATOM 179 CG PHE A 13 -3.448 0.182 1.783 1.00 0.00 C ATOM 180 CD1 PHE A 13 -3.805 -1.026 2.403 1.00 0.00 C ATOM 181 CD2 PHE A 13 -3.871 0.443 0.473 1.00 0.00 C ATOM 182 CE1 PHE A 13 -4.582 -1.965 1.712 1.00 0.00 C ATOM 183 CE2 PHE A 13 -4.648 -0.497 -0.216 1.00 0.00 C ATOM 184 CZ PHE A 13 -5.004 -1.700 0.404 1.00 0.00 C ATOM 0 H PHE A 13 -4.338 3.147 3.526 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.309 0.464 4.409 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.590 2.141 1.967 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.565 0.852 2.567 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.481 -1.231 3.412 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.597 1.371 -0.007 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.856 -2.894 2.189 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.972 -0.293 -1.226 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.604 -2.424 -0.127 1.00 0.00 H new ATOM 194 N VAL A 14 -1.363 1.571 5.570 1.00 0.00 N ATOM 195 CA VAL A 14 -0.363 2.298 6.396 1.00 0.00 C ATOM 196 C VAL A 14 0.996 1.597 6.329 1.00 0.00 C ATOM 197 O VAL A 14 1.114 0.477 5.874 1.00 0.00 O ATOM 198 CB VAL A 14 -0.852 2.380 7.848 1.00 0.00 C ATOM 199 CG1 VAL A 14 -2.362 2.644 7.875 1.00 0.00 C ATOM 200 CG2 VAL A 14 -0.547 1.079 8.600 1.00 0.00 C ATOM 0 H VAL A 14 -1.390 0.561 5.708 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.246 3.308 6.004 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.327 3.199 8.340 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.703 2.701 8.909 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.576 3.586 7.370 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.882 1.833 7.366 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.903 1.160 9.627 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.050 0.247 8.107 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.529 0.903 8.601 1.00 0.00 H new ATOM 210 N ILE A 15 2.023 2.275 6.759 1.00 0.00 N ATOM 211 CA ILE A 15 3.399 1.699 6.715 1.00 0.00 C ATOM 212 C ILE A 15 4.035 1.831 8.102 1.00 0.00 C ATOM 213 O ILE A 15 3.826 2.815 8.785 1.00 0.00 O ATOM 214 CB ILE A 15 4.229 2.493 5.693 1.00 0.00 C ATOM 215 CG1 ILE A 15 3.545 3.844 5.430 1.00 0.00 C ATOM 216 CG2 ILE A 15 4.339 1.707 4.381 1.00 0.00 C ATOM 217 CD1 ILE A 15 4.335 4.645 4.396 1.00 0.00 C ATOM 0 H ILE A 15 1.968 3.218 7.145 1.00 0.00 H new ATOM 0 HA ILE A 15 3.364 0.648 6.428 1.00 0.00 H new ATOM 0 HB ILE A 15 5.231 2.658 6.090 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.528 3.681 5.074 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.471 4.409 6.359 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.929 2.278 3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.825 0.750 4.570 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.342 1.534 3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.839 5.600 4.219 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.344 4.823 4.767 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.386 4.084 3.463 1.00 0.00 H new ATOM 229 N THR A 16 4.794 0.853 8.546 1.00 0.00 N ATOM 230 CA THR A 16 5.413 0.941 9.902 1.00 0.00 C ATOM 231 C THR A 16 6.276 2.204 10.019 1.00 0.00 C ATOM 232 O THR A 16 6.857 2.475 11.053 1.00 0.00 O ATOM 233 CB THR A 16 6.277 -0.311 10.128 1.00 0.00 C ATOM 234 OG1 THR A 16 6.188 -0.706 11.489 1.00 0.00 O ATOM 235 CG2 THR A 16 7.742 -0.028 9.773 1.00 0.00 C ATOM 0 H THR A 16 5.008 0.002 8.026 1.00 0.00 H new ATOM 0 HA THR A 16 4.630 0.996 10.658 1.00 0.00 H new ATOM 0 HB THR A 16 5.910 -1.110 9.484 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.737 -1.505 11.634 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.337 -0.926 9.940 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.813 0.265 8.725 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.119 0.779 10.401 1.00 0.00 H new ATOM 243 N GLY A 17 6.375 2.970 8.966 1.00 0.00 N ATOM 244 CA GLY A 17 7.211 4.200 9.010 1.00 0.00 C ATOM 245 C GLY A 17 8.649 3.806 8.693 1.00 0.00 C ATOM 246 O GLY A 17 9.585 4.424 9.156 1.00 0.00 O ATOM 0 H GLY A 17 5.910 2.795 8.075 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.849 4.932 8.288 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.152 4.666 9.994 1.00 0.00 H new ATOM 250 N GLU A 18 8.802 2.778 7.888 1.00 0.00 N ATOM 251 CA GLU A 18 10.151 2.276 7.471 1.00 0.00 C ATOM 252 C GLU A 18 10.052 0.762 7.265 1.00 0.00 C ATOM 253 O GLU A 18 10.589 -0.019 8.027 1.00 0.00 O ATOM 254 CB GLU A 18 11.224 2.587 8.533 1.00 0.00 C ATOM 255 CG GLU A 18 12.527 1.848 8.199 1.00 0.00 C ATOM 256 CD GLU A 18 13.721 2.775 8.446 1.00 0.00 C ATOM 257 OE1 GLU A 18 14.033 3.557 7.562 1.00 0.00 O ATOM 258 OE2 GLU A 18 14.302 2.689 9.515 1.00 0.00 O ATOM 0 H GLU A 18 8.023 2.252 7.492 1.00 0.00 H new ATOM 0 HA GLU A 18 10.448 2.776 6.549 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.406 3.661 8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.869 2.287 9.519 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.616 0.952 8.813 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.516 1.522 7.159 1.00 0.00 H new ATOM 265 N LEU A 19 9.361 0.342 6.240 1.00 0.00 N ATOM 266 CA LEU A 19 9.225 -1.117 5.982 1.00 0.00 C ATOM 267 C LEU A 19 10.513 -1.633 5.331 1.00 0.00 C ATOM 268 O LEU A 19 10.625 -2.798 5.014 1.00 0.00 O ATOM 269 CB LEU A 19 8.053 -1.370 5.031 1.00 0.00 C ATOM 270 CG LEU A 19 6.736 -1.298 5.802 1.00 0.00 C ATOM 271 CD1 LEU A 19 6.395 0.163 6.090 1.00 0.00 C ATOM 272 CD2 LEU A 19 5.619 -1.931 4.965 1.00 0.00 C ATOM 0 H LEU A 19 8.885 0.948 5.571 1.00 0.00 H new ATOM 0 HA LEU A 19 9.046 -1.634 6.925 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.057 -0.631 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.158 -2.349 4.562 1.00 0.00 H new ATOM 0 HG LEU A 19 6.834 -1.839 6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.455 0.216 6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.190 0.612 6.686 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.296 0.706 5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.679 -1.880 5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.519 -1.391 4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.864 -2.973 4.761 1.00 0.00 H new ATOM 284 N SER A 20 11.467 -0.753 5.097 1.00 0.00 N ATOM 285 CA SER A 20 12.756 -1.140 4.431 1.00 0.00 C ATOM 286 C SER A 20 12.557 -1.085 2.913 1.00 0.00 C ATOM 287 O SER A 20 13.246 -1.738 2.153 1.00 0.00 O ATOM 288 CB SER A 20 13.207 -2.543 4.867 1.00 0.00 C ATOM 289 OG SER A 20 12.712 -3.519 3.958 1.00 0.00 O ATOM 0 H SER A 20 11.402 0.234 5.345 1.00 0.00 H new ATOM 0 HA SER A 20 13.539 -0.442 4.728 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.295 -2.588 4.905 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.844 -2.754 5.873 1.00 0.00 H new ATOM 0 HG SER A 20 11.738 -3.584 4.046 1.00 0.00 H new ATOM 295 N ARG A 21 11.611 -0.292 2.482 1.00 0.00 N ATOM 296 CA ARG A 21 11.321 -0.150 1.024 1.00 0.00 C ATOM 297 C ARG A 21 11.031 1.330 0.734 1.00 0.00 C ATOM 298 O ARG A 21 10.897 2.118 1.651 1.00 0.00 O ATOM 299 CB ARG A 21 10.092 -1.005 0.686 1.00 0.00 C ATOM 300 CG ARG A 21 10.529 -2.445 0.395 1.00 0.00 C ATOM 301 CD ARG A 21 10.753 -2.632 -1.109 1.00 0.00 C ATOM 302 NE ARG A 21 9.466 -2.417 -1.834 1.00 0.00 N ATOM 303 CZ ARG A 21 9.207 -3.092 -2.921 1.00 0.00 C ATOM 304 NH1 ARG A 21 10.093 -3.158 -3.878 1.00 0.00 N ATOM 305 NH2 ARG A 21 8.059 -3.698 -3.053 1.00 0.00 N ATOM 0 H ARG A 21 11.017 0.273 3.089 1.00 0.00 H new ATOM 0 HA ARG A 21 12.166 -0.481 0.421 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.387 -0.990 1.517 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.575 -0.590 -0.179 1.00 0.00 H new ATOM 0 HG2 ARG A 21 11.446 -2.672 0.938 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.769 -3.142 0.747 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.506 -1.929 -1.466 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.133 -3.634 -1.309 1.00 0.00 H new ATOM 0 HE ARG A 21 8.788 -1.742 -1.480 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.989 -2.682 -3.777 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.889 -3.686 -4.727 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.365 -3.644 -2.307 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.855 -4.226 -3.902 1.00 0.00 H new ATOM 319 N PRO A 22 10.934 1.719 -0.521 1.00 0.00 N ATOM 320 CA PRO A 22 10.649 3.139 -0.901 1.00 0.00 C ATOM 321 C PRO A 22 9.233 3.577 -0.493 1.00 0.00 C ATOM 322 O PRO A 22 8.537 4.246 -1.232 1.00 0.00 O ATOM 323 CB PRO A 22 10.819 3.153 -2.423 1.00 0.00 C ATOM 324 CG PRO A 22 10.577 1.747 -2.853 1.00 0.00 C ATOM 325 CD PRO A 22 11.084 0.863 -1.714 1.00 0.00 C ATOM 0 HA PRO A 22 11.312 3.839 -0.393 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.111 3.836 -2.893 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.818 3.485 -2.705 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.517 1.573 -3.039 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.104 1.527 -3.781 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.500 -0.053 -1.627 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.122 0.566 -1.867 1.00 0.00 H new ATOM 333 N ARG A 23 8.806 3.155 0.672 1.00 0.00 N ATOM 334 CA ARG A 23 7.432 3.478 1.178 1.00 0.00 C ATOM 335 C ARG A 23 7.060 4.949 0.927 1.00 0.00 C ATOM 336 O ARG A 23 5.906 5.314 1.006 1.00 0.00 O ATOM 337 CB ARG A 23 7.373 3.191 2.682 1.00 0.00 C ATOM 338 CG ARG A 23 8.544 3.881 3.393 1.00 0.00 C ATOM 339 CD ARG A 23 8.062 4.466 4.723 1.00 0.00 C ATOM 340 NE ARG A 23 9.234 4.941 5.512 1.00 0.00 N ATOM 341 CZ ARG A 23 9.518 6.214 5.560 1.00 0.00 C ATOM 342 NH1 ARG A 23 8.621 7.068 5.967 1.00 0.00 N ATOM 343 NH2 ARG A 23 10.701 6.633 5.199 1.00 0.00 N ATOM 0 H ARG A 23 9.364 2.587 1.309 1.00 0.00 H new ATOM 0 HA ARG A 23 6.718 2.856 0.638 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.428 3.546 3.092 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.413 2.116 2.857 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.348 3.167 3.568 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.951 4.671 2.762 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.374 5.292 4.541 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.513 3.712 5.286 1.00 0.00 H new ATOM 0 HE ARG A 23 9.815 4.270 6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.697 6.741 6.248 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.844 8.063 6.004 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.403 5.965 4.880 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.923 7.628 5.236 1.00 0.00 H new ATOM 357 N GLU A 24 8.005 5.788 0.588 1.00 0.00 N ATOM 358 CA GLU A 24 7.667 7.213 0.297 1.00 0.00 C ATOM 359 C GLU A 24 7.144 7.292 -1.142 1.00 0.00 C ATOM 360 O GLU A 24 6.066 7.789 -1.406 1.00 0.00 O ATOM 361 CB GLU A 24 8.924 8.078 0.440 1.00 0.00 C ATOM 362 CG GLU A 24 8.577 9.546 0.171 1.00 0.00 C ATOM 363 CD GLU A 24 9.810 10.417 0.423 1.00 0.00 C ATOM 364 OE1 GLU A 24 10.571 10.618 -0.511 1.00 0.00 O ATOM 365 OE2 GLU A 24 9.975 10.867 1.544 1.00 0.00 O ATOM 0 H GLU A 24 8.993 5.549 0.500 1.00 0.00 H new ATOM 0 HA GLU A 24 6.911 7.576 0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.338 7.971 1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.690 7.742 -0.259 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.237 9.668 -0.857 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.758 9.861 0.817 1.00 0.00 H new ATOM 372 N GLU A 25 7.921 6.796 -2.065 1.00 0.00 N ATOM 373 CA GLU A 25 7.512 6.814 -3.501 1.00 0.00 C ATOM 374 C GLU A 25 6.142 6.140 -3.648 1.00 0.00 C ATOM 375 O GLU A 25 5.216 6.701 -4.211 1.00 0.00 O ATOM 376 CB GLU A 25 8.553 6.062 -4.337 1.00 0.00 C ATOM 377 CG GLU A 25 8.125 6.037 -5.809 1.00 0.00 C ATOM 378 CD GLU A 25 7.928 7.469 -6.317 1.00 0.00 C ATOM 379 OE1 GLU A 25 8.920 8.108 -6.625 1.00 0.00 O ATOM 380 OE2 GLU A 25 6.789 7.902 -6.388 1.00 0.00 O ATOM 0 H GLU A 25 8.832 6.374 -1.885 1.00 0.00 H new ATOM 0 HA GLU A 25 7.446 7.844 -3.851 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.526 6.544 -4.241 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.664 5.044 -3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.881 5.530 -6.408 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.199 5.472 -5.918 1.00 0.00 H new ATOM 387 N VAL A 26 6.003 4.941 -3.141 1.00 0.00 N ATOM 388 CA VAL A 26 4.695 4.231 -3.248 1.00 0.00 C ATOM 389 C VAL A 26 3.616 5.037 -2.519 1.00 0.00 C ATOM 390 O VAL A 26 2.470 5.047 -2.919 1.00 0.00 O ATOM 391 CB VAL A 26 4.812 2.833 -2.626 1.00 0.00 C ATOM 392 CG1 VAL A 26 4.942 2.946 -1.105 1.00 0.00 C ATOM 393 CG2 VAL A 26 3.562 2.014 -2.968 1.00 0.00 C ATOM 0 H VAL A 26 6.739 4.425 -2.658 1.00 0.00 H new ATOM 0 HA VAL A 26 4.421 4.131 -4.298 1.00 0.00 H new ATOM 0 HB VAL A 26 5.697 2.339 -3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.024 1.949 -0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.833 3.524 -0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.062 3.446 -0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.645 1.021 -2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.679 2.515 -2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.472 1.923 -4.050 1.00 0.00 H new ATOM 403 N LYS A 27 3.975 5.719 -1.458 1.00 0.00 N ATOM 404 CA LYS A 27 2.964 6.530 -0.713 1.00 0.00 C ATOM 405 C LYS A 27 2.438 7.637 -1.624 1.00 0.00 C ATOM 406 O LYS A 27 1.273 7.986 -1.581 1.00 0.00 O ATOM 407 CB LYS A 27 3.610 7.153 0.528 1.00 0.00 C ATOM 408 CG LYS A 27 3.415 6.224 1.729 1.00 0.00 C ATOM 409 CD LYS A 27 2.006 6.407 2.303 1.00 0.00 C ATOM 410 CE LYS A 27 1.399 5.041 2.646 1.00 0.00 C ATOM 411 NZ LYS A 27 0.866 5.067 4.038 1.00 0.00 N ATOM 0 H LYS A 27 4.921 5.749 -1.078 1.00 0.00 H new ATOM 0 HA LYS A 27 2.141 5.887 -0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.673 7.319 0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.165 8.127 0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.563 5.187 1.426 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.160 6.442 2.494 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.046 7.031 3.196 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.374 6.924 1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.600 4.800 1.944 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.154 4.261 2.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.769 4.094 4.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.521 5.594 4.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.064 5.532 4.045 1.00 0.00 H new ATOM 425 N ALA A 28 3.283 8.181 -2.461 1.00 0.00 N ATOM 426 CA ALA A 28 2.830 9.252 -3.391 1.00 0.00 C ATOM 427 C ALA A 28 1.832 8.640 -4.373 1.00 0.00 C ATOM 428 O ALA A 28 0.912 9.291 -4.833 1.00 0.00 O ATOM 429 CB ALA A 28 4.034 9.811 -4.155 1.00 0.00 C ATOM 0 H ALA A 28 4.268 7.928 -2.539 1.00 0.00 H new ATOM 0 HA ALA A 28 2.360 10.063 -2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.701 10.595 -4.835 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.753 10.225 -3.448 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.506 9.011 -4.726 1.00 0.00 H new ATOM 435 N LEU A 29 2.003 7.381 -4.675 1.00 0.00 N ATOM 436 CA LEU A 29 1.065 6.693 -5.605 1.00 0.00 C ATOM 437 C LEU A 29 -0.096 6.098 -4.797 1.00 0.00 C ATOM 438 O LEU A 29 -1.173 5.872 -5.314 1.00 0.00 O ATOM 439 CB LEU A 29 1.809 5.573 -6.346 1.00 0.00 C ATOM 440 CG LEU A 29 1.926 5.914 -7.839 1.00 0.00 C ATOM 441 CD1 LEU A 29 0.533 6.163 -8.429 1.00 0.00 C ATOM 442 CD2 LEU A 29 2.787 7.170 -8.012 1.00 0.00 C ATOM 0 H LEU A 29 2.757 6.797 -4.314 1.00 0.00 H new ATOM 0 HA LEU A 29 0.676 7.406 -6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.802 5.440 -5.917 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.278 4.629 -6.221 1.00 0.00 H new ATOM 0 HG LEU A 29 2.391 5.078 -8.361 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.624 6.404 -9.488 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.077 5.267 -8.312 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.060 6.995 -7.907 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.870 7.411 -9.072 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.324 8.004 -7.485 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.781 6.989 -7.603 1.00 0.00 H new ATOM 454 N LEU A 30 0.123 5.841 -3.531 1.00 0.00 N ATOM 455 CA LEU A 30 -0.950 5.255 -2.671 1.00 0.00 C ATOM 456 C LEU A 30 -2.077 6.274 -2.479 1.00 0.00 C ATOM 457 O LEU A 30 -3.235 5.982 -2.711 1.00 0.00 O ATOM 458 CB LEU A 30 -0.346 4.891 -1.306 1.00 0.00 C ATOM 459 CG LEU A 30 -1.129 3.740 -0.653 1.00 0.00 C ATOM 460 CD1 LEU A 30 -2.602 4.129 -0.490 1.00 0.00 C ATOM 461 CD2 LEU A 30 -1.023 2.484 -1.524 1.00 0.00 C ATOM 0 H LEU A 30 1.007 6.014 -3.053 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.358 4.363 -3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.698 4.603 -1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.360 5.763 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.704 3.537 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.146 3.306 -0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.677 5.015 0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.032 4.343 -1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.579 1.670 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.438 2.689 -2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.024 2.198 -1.624 1.00 0.00 H new ATOM 473 N ARG A 31 -1.747 7.470 -2.061 1.00 0.00 N ATOM 474 CA ARG A 31 -2.797 8.511 -1.856 1.00 0.00 C ATOM 475 C ARG A 31 -3.489 8.792 -3.191 1.00 0.00 C ATOM 476 O ARG A 31 -4.699 8.885 -3.268 1.00 0.00 O ATOM 477 CB ARG A 31 -2.149 9.794 -1.329 1.00 0.00 C ATOM 478 CG ARG A 31 -3.230 10.853 -1.082 1.00 0.00 C ATOM 479 CD ARG A 31 -2.731 11.864 -0.047 1.00 0.00 C ATOM 480 NE ARG A 31 -3.867 12.725 0.393 1.00 0.00 N ATOM 481 CZ ARG A 31 -3.633 13.870 0.977 1.00 0.00 C ATOM 482 NH1 ARG A 31 -2.801 13.935 1.980 1.00 0.00 N ATOM 483 NH2 ARG A 31 -4.234 14.950 0.559 1.00 0.00 N ATOM 0 H ARG A 31 -0.794 7.770 -1.853 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.531 8.158 -1.131 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.610 9.588 -0.404 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.419 10.166 -2.048 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.474 11.362 -2.014 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.145 10.378 -0.729 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.302 11.343 0.809 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.939 12.479 -0.475 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.828 12.419 0.238 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.332 13.091 2.309 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.619 14.830 2.435 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.886 14.900 -0.224 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.052 15.844 1.015 1.00 0.00 H new ATOM 497 N ARG A 32 -2.721 8.919 -4.240 1.00 0.00 N ATOM 498 CA ARG A 32 -3.318 9.182 -5.581 1.00 0.00 C ATOM 499 C ARG A 32 -4.320 8.069 -5.905 1.00 0.00 C ATOM 500 O ARG A 32 -5.333 8.296 -6.537 1.00 0.00 O ATOM 501 CB ARG A 32 -2.212 9.207 -6.641 1.00 0.00 C ATOM 502 CG ARG A 32 -2.766 9.767 -7.956 1.00 0.00 C ATOM 503 CD ARG A 32 -2.796 11.298 -7.896 1.00 0.00 C ATOM 504 NE ARG A 32 -1.484 11.840 -8.353 1.00 0.00 N ATOM 505 CZ ARG A 32 -1.392 12.442 -9.507 1.00 0.00 C ATOM 506 NH1 ARG A 32 -1.795 13.678 -9.632 1.00 0.00 N ATOM 507 NH2 ARG A 32 -0.899 11.809 -10.535 1.00 0.00 N ATOM 0 H ARG A 32 -1.703 8.852 -4.226 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.827 10.146 -5.577 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.379 9.820 -6.296 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.824 8.201 -6.798 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.147 9.439 -8.791 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.770 9.381 -8.132 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.599 11.681 -8.526 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.003 11.629 -6.878 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.658 11.740 -7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.181 14.172 -8.828 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.723 14.149 -10.534 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.585 10.843 -10.437 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.827 12.279 -11.437 1.00 0.00 H new ATOM 521 N LEU A 33 -4.031 6.865 -5.484 1.00 0.00 N ATOM 522 CA LEU A 33 -4.945 5.718 -5.767 1.00 0.00 C ATOM 523 C LEU A 33 -6.234 5.832 -4.938 1.00 0.00 C ATOM 524 O LEU A 33 -6.987 4.884 -4.824 1.00 0.00 O ATOM 525 CB LEU A 33 -4.227 4.407 -5.429 1.00 0.00 C ATOM 526 CG LEU A 33 -4.375 3.417 -6.589 1.00 0.00 C ATOM 527 CD1 LEU A 33 -3.819 4.035 -7.878 1.00 0.00 C ATOM 528 CD2 LEU A 33 -3.593 2.142 -6.271 1.00 0.00 C ATOM 0 H LEU A 33 -3.194 6.625 -4.952 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.214 5.733 -6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.172 4.600 -5.236 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.644 3.978 -4.518 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.431 3.183 -6.725 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.928 3.325 -8.698 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.369 4.946 -8.111 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.764 4.273 -7.742 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.697 1.436 -7.095 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.540 2.386 -6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.984 1.694 -5.358 1.00 0.00 H new ATOM 540 N GLY A 34 -6.510 6.986 -4.384 1.00 0.00 N ATOM 541 CA GLY A 34 -7.767 7.160 -3.595 1.00 0.00 C ATOM 542 C GLY A 34 -7.643 6.525 -2.204 1.00 0.00 C ATOM 543 O GLY A 34 -8.283 6.961 -1.267 1.00 0.00 O ATOM 0 H GLY A 34 -5.919 7.815 -4.444 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.992 8.222 -3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.601 6.707 -4.131 1.00 0.00 H new ATOM 547 N ALA A 35 -6.842 5.500 -2.056 1.00 0.00 N ATOM 548 CA ALA A 35 -6.707 4.850 -0.716 1.00 0.00 C ATOM 549 C ALA A 35 -6.042 5.822 0.264 1.00 0.00 C ATOM 550 O ALA A 35 -5.182 6.599 -0.103 1.00 0.00 O ATOM 551 CB ALA A 35 -5.855 3.585 -0.846 1.00 0.00 C ATOM 0 H ALA A 35 -6.279 5.087 -2.800 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.695 4.584 -0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.756 3.111 0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.334 2.893 -1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.867 3.849 -1.223 1.00 0.00 H new ATOM 557 N LYS A 36 -6.439 5.782 1.512 1.00 0.00 N ATOM 558 CA LYS A 36 -5.837 6.702 2.524 1.00 0.00 C ATOM 559 C LYS A 36 -4.438 6.208 2.896 1.00 0.00 C ATOM 560 O LYS A 36 -4.157 5.026 2.846 1.00 0.00 O ATOM 561 CB LYS A 36 -6.716 6.728 3.780 1.00 0.00 C ATOM 562 CG LYS A 36 -6.373 7.961 4.623 1.00 0.00 C ATOM 563 CD LYS A 36 -6.993 7.826 6.017 1.00 0.00 C ATOM 564 CE LYS A 36 -8.514 7.990 5.924 1.00 0.00 C ATOM 565 NZ LYS A 36 -9.036 8.513 7.217 1.00 0.00 N ATOM 0 H LYS A 36 -7.155 5.151 1.873 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.770 7.706 2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.769 6.749 3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.560 5.821 4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.291 8.067 4.705 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.746 8.862 4.135 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.748 6.853 6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.576 8.580 6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.768 8.673 5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.980 7.033 5.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.068 8.625 7.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.805 7.845 7.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.600 9.435 7.420 1.00 0.00 H new ATOM 579 N VAL A 37 -3.557 7.104 3.267 1.00 0.00 N ATOM 580 CA VAL A 37 -2.173 6.699 3.644 1.00 0.00 C ATOM 581 C VAL A 37 -1.925 7.055 5.114 1.00 0.00 C ATOM 582 O VAL A 37 -2.293 8.117 5.575 1.00 0.00 O ATOM 583 CB VAL A 37 -1.171 7.449 2.759 1.00 0.00 C ATOM 584 CG1 VAL A 37 -1.349 7.009 1.305 1.00 0.00 C ATOM 585 CG2 VAL A 37 -1.407 8.961 2.864 1.00 0.00 C ATOM 0 H VAL A 37 -3.742 8.106 3.324 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.051 5.625 3.505 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.159 7.220 3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.637 7.541 0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.173 5.936 1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.364 7.235 0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.691 9.486 2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.420 9.195 2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.278 9.278 3.899 1.00 0.00 H new ATOM 595 N THR A 38 -1.299 6.174 5.848 1.00 0.00 N ATOM 596 CA THR A 38 -1.017 6.456 7.288 1.00 0.00 C ATOM 597 C THR A 38 0.247 5.699 7.703 1.00 0.00 C ATOM 598 O THR A 38 0.950 5.155 6.873 1.00 0.00 O ATOM 599 CB THR A 38 -2.201 5.997 8.153 1.00 0.00 C ATOM 600 OG1 THR A 38 -3.355 5.836 7.338 1.00 0.00 O ATOM 601 CG2 THR A 38 -2.483 7.043 9.235 1.00 0.00 C ATOM 0 H THR A 38 -0.970 5.269 5.513 1.00 0.00 H new ATOM 0 HA THR A 38 -0.871 7.527 7.429 1.00 0.00 H new ATOM 0 HB THR A 38 -1.954 5.045 8.624 1.00 0.00 H new ATOM 0 HG1 THR A 38 -4.108 5.542 7.892 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.323 6.716 9.847 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.601 7.163 9.864 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.726 7.996 8.765 1.00 0.00 H new ATOM 609 N ASP A 39 0.546 5.662 8.974 1.00 0.00 N ATOM 610 CA ASP A 39 1.770 4.937 9.427 1.00 0.00 C ATOM 611 C ASP A 39 1.577 4.390 10.848 1.00 0.00 C ATOM 612 O ASP A 39 2.465 3.767 11.400 1.00 0.00 O ATOM 613 CB ASP A 39 2.964 5.898 9.409 1.00 0.00 C ATOM 614 CG ASP A 39 2.599 7.183 10.158 1.00 0.00 C ATOM 615 OD1 ASP A 39 2.723 7.196 11.371 1.00 0.00 O ATOM 616 OD2 ASP A 39 2.201 8.134 9.503 1.00 0.00 O ATOM 0 H ASP A 39 -0.001 6.100 9.715 1.00 0.00 H new ATOM 0 HA ASP A 39 1.954 4.101 8.752 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.830 5.427 9.874 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.241 6.130 8.381 1.00 0.00 H new ATOM 621 N SER A 40 0.436 4.616 11.451 1.00 0.00 N ATOM 622 CA SER A 40 0.204 4.108 12.835 1.00 0.00 C ATOM 623 C SER A 40 -1.184 3.468 12.920 1.00 0.00 C ATOM 624 O SER A 40 -1.917 3.423 11.951 1.00 0.00 O ATOM 625 CB SER A 40 0.291 5.274 13.824 1.00 0.00 C ATOM 626 OG SER A 40 1.516 5.967 13.625 1.00 0.00 O ATOM 0 H SER A 40 -0.344 5.131 11.043 1.00 0.00 H new ATOM 0 HA SER A 40 0.961 3.363 13.081 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.551 5.951 13.681 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.231 4.903 14.847 1.00 0.00 H new ATOM 0 HG SER A 40 1.515 6.386 12.739 1.00 0.00 H new ATOM 632 N VAL A 41 -1.545 2.973 14.076 1.00 0.00 N ATOM 633 CA VAL A 41 -2.883 2.330 14.240 1.00 0.00 C ATOM 634 C VAL A 41 -3.399 2.587 15.657 1.00 0.00 C ATOM 635 O VAL A 41 -2.638 2.845 16.568 1.00 0.00 O ATOM 636 CB VAL A 41 -2.760 0.819 14.008 1.00 0.00 C ATOM 637 CG1 VAL A 41 -2.534 0.545 12.520 1.00 0.00 C ATOM 638 CG2 VAL A 41 -1.577 0.267 14.812 1.00 0.00 C ATOM 0 H VAL A 41 -0.968 2.987 14.917 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.579 2.751 13.515 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.679 0.331 14.333 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.447 -0.529 12.357 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.377 0.932 11.947 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.617 1.037 12.195 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.493 -0.807 14.645 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.658 0.758 14.491 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.738 0.457 15.873 1.00 0.00 H new ATOM 648 N SER A 42 -4.691 2.517 15.843 1.00 0.00 N ATOM 649 CA SER A 42 -5.270 2.754 17.196 1.00 0.00 C ATOM 650 C SER A 42 -6.493 1.857 17.387 1.00 0.00 C ATOM 651 O SER A 42 -6.722 1.324 18.456 1.00 0.00 O ATOM 652 CB SER A 42 -5.691 4.219 17.320 1.00 0.00 C ATOM 653 OG SER A 42 -4.537 5.048 17.244 1.00 0.00 O ATOM 0 H SER A 42 -5.371 2.305 15.113 1.00 0.00 H new ATOM 0 HA SER A 42 -4.525 2.524 17.957 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.391 4.477 16.525 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.208 4.382 18.266 1.00 0.00 H new ATOM 0 HG SER A 42 -4.804 5.988 17.322 1.00 0.00 H new ATOM 659 N ARG A 43 -7.275 1.684 16.354 1.00 0.00 N ATOM 660 CA ARG A 43 -8.489 0.823 16.449 1.00 0.00 C ATOM 661 C ARG A 43 -9.156 0.783 15.073 1.00 0.00 C ATOM 662 O ARG A 43 -9.084 -0.202 14.364 1.00 0.00 O ATOM 663 CB ARG A 43 -9.465 1.409 17.478 1.00 0.00 C ATOM 664 CG ARG A 43 -10.780 0.623 17.451 1.00 0.00 C ATOM 665 CD ARG A 43 -11.699 1.114 18.573 1.00 0.00 C ATOM 666 NE ARG A 43 -11.457 0.307 19.802 1.00 0.00 N ATOM 667 CZ ARG A 43 -12.413 0.147 20.676 1.00 0.00 C ATOM 668 NH1 ARG A 43 -12.684 1.097 21.527 1.00 0.00 N ATOM 669 NH2 ARG A 43 -13.099 -0.962 20.697 1.00 0.00 N ATOM 0 H ARG A 43 -7.122 2.108 15.439 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.211 -0.183 16.764 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.026 1.367 18.475 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.654 2.460 17.257 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.270 0.749 16.486 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.581 -0.442 17.571 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.512 2.169 18.775 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.742 1.027 18.268 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.544 -0.120 19.960 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.149 1.965 21.510 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.431 0.972 22.210 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.888 -1.705 20.030 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.846 -1.087 21.380 1.00 0.00 H new ATOM 683 N LYS A 44 -9.798 1.856 14.695 1.00 0.00 N ATOM 684 CA LYS A 44 -10.470 1.905 13.365 1.00 0.00 C ATOM 685 C LYS A 44 -9.422 1.724 12.262 1.00 0.00 C ATOM 686 O LYS A 44 -9.712 1.219 11.195 1.00 0.00 O ATOM 687 CB LYS A 44 -11.166 3.259 13.191 1.00 0.00 C ATOM 688 CG LYS A 44 -12.185 3.464 14.319 1.00 0.00 C ATOM 689 CD LYS A 44 -11.640 4.482 15.330 1.00 0.00 C ATOM 690 CE LYS A 44 -11.900 5.902 14.822 1.00 0.00 C ATOM 691 NZ LYS A 44 -13.331 6.254 15.040 1.00 0.00 N ATOM 0 H LYS A 44 -9.886 2.705 15.254 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.211 1.108 13.301 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.429 4.062 13.203 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.666 3.300 12.224 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.131 3.816 13.908 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.387 2.515 14.816 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.118 4.339 16.299 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.571 4.328 15.476 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.257 6.610 15.345 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.655 5.971 13.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.452 7.283 14.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.919 5.775 14.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.623 5.949 15.991 1.00 0.00 H new ATOM 705 N THR A 45 -8.204 2.128 12.520 1.00 0.00 N ATOM 706 CA THR A 45 -7.125 1.980 11.500 1.00 0.00 C ATOM 707 C THR A 45 -6.242 0.787 11.872 1.00 0.00 C ATOM 708 O THR A 45 -5.527 0.817 12.854 1.00 0.00 O ATOM 709 CB THR A 45 -6.276 3.256 11.470 1.00 0.00 C ATOM 710 OG1 THR A 45 -7.123 4.381 11.282 1.00 0.00 O ATOM 711 CG2 THR A 45 -5.266 3.180 10.323 1.00 0.00 C ATOM 0 H THR A 45 -7.910 2.556 13.398 1.00 0.00 H new ATOM 0 HA THR A 45 -7.567 1.815 10.517 1.00 0.00 H new ATOM 0 HB THR A 45 -5.740 3.355 12.414 1.00 0.00 H new ATOM 0 HG1 THR A 45 -6.582 5.198 11.264 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.665 4.089 10.306 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.615 2.318 10.468 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.797 3.079 9.377 1.00 0.00 H new ATOM 719 N SER A 46 -6.285 -0.259 11.091 1.00 0.00 N ATOM 720 CA SER A 46 -5.445 -1.459 11.385 1.00 0.00 C ATOM 721 C SER A 46 -5.151 -2.188 10.073 1.00 0.00 C ATOM 722 O SER A 46 -5.572 -3.307 9.857 1.00 0.00 O ATOM 723 CB SER A 46 -6.183 -2.394 12.349 1.00 0.00 C ATOM 724 OG SER A 46 -7.045 -1.632 13.184 1.00 0.00 O ATOM 0 H SER A 46 -6.868 -0.335 10.258 1.00 0.00 H new ATOM 0 HA SER A 46 -4.511 -1.148 11.852 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.760 -3.130 11.788 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.466 -2.946 12.956 1.00 0.00 H new ATOM 0 HG SER A 46 -7.518 -2.231 13.799 1.00 0.00 H new ATOM 730 N TYR A 47 -4.423 -1.551 9.199 1.00 0.00 N ATOM 731 CA TYR A 47 -4.082 -2.180 7.890 1.00 0.00 C ATOM 732 C TYR A 47 -2.740 -1.628 7.420 1.00 0.00 C ATOM 733 O TYR A 47 -2.549 -0.432 7.344 1.00 0.00 O ATOM 734 CB TYR A 47 -5.161 -1.845 6.854 1.00 0.00 C ATOM 735 CG TYR A 47 -6.515 -2.265 7.375 1.00 0.00 C ATOM 736 CD1 TYR A 47 -6.930 -3.598 7.257 1.00 0.00 C ATOM 737 CD2 TYR A 47 -7.355 -1.322 7.982 1.00 0.00 C ATOM 738 CE1 TYR A 47 -8.183 -3.986 7.744 1.00 0.00 C ATOM 739 CE2 TYR A 47 -8.607 -1.711 8.469 1.00 0.00 C ATOM 740 CZ TYR A 47 -9.022 -3.043 8.350 1.00 0.00 C ATOM 741 OH TYR A 47 -10.257 -3.425 8.831 1.00 0.00 O ATOM 0 H TYR A 47 -4.046 -0.613 9.336 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.025 -3.262 8.005 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.157 -0.775 6.644 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.948 -2.355 5.915 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.283 -4.326 6.790 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.036 -0.294 8.074 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.503 -5.013 7.652 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.254 -0.984 8.937 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.710 -2.649 9.222 1.00 0.00 H new ATOM 751 N LEU A 48 -1.813 -2.486 7.102 1.00 0.00 N ATOM 752 CA LEU A 48 -0.481 -2.010 6.636 1.00 0.00 C ATOM 753 C LEU A 48 -0.180 -2.615 5.271 1.00 0.00 C ATOM 754 O LEU A 48 -0.470 -3.766 5.013 1.00 0.00 O ATOM 755 CB LEU A 48 0.592 -2.422 7.667 1.00 0.00 C ATOM 756 CG LEU A 48 1.868 -2.963 6.986 1.00 0.00 C ATOM 757 CD1 LEU A 48 3.096 -2.522 7.788 1.00 0.00 C ATOM 758 CD2 LEU A 48 1.815 -4.494 6.948 1.00 0.00 C ATOM 0 H LEU A 48 -1.920 -3.499 7.145 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.479 -0.924 6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.848 -1.563 8.287 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.184 -3.184 8.331 1.00 0.00 H new ATOM 0 HG LEU A 48 1.932 -2.573 5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.999 -2.902 7.310 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.135 -1.433 7.824 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.029 -2.916 8.802 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.715 -4.877 6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.754 -4.881 7.965 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.939 -4.814 6.384 1.00 0.00 H new ATOM 770 N VAL A 49 0.431 -1.850 4.412 1.00 0.00 N ATOM 771 CA VAL A 49 0.798 -2.375 3.070 1.00 0.00 C ATOM 772 C VAL A 49 2.184 -2.994 3.192 1.00 0.00 C ATOM 773 O VAL A 49 3.137 -2.319 3.531 1.00 0.00 O ATOM 774 CB VAL A 49 0.830 -1.244 2.030 1.00 0.00 C ATOM 775 CG1 VAL A 49 -0.504 -1.202 1.282 1.00 0.00 C ATOM 776 CG2 VAL A 49 1.072 0.103 2.723 1.00 0.00 C ATOM 0 H VAL A 49 0.693 -0.879 4.583 1.00 0.00 H new ATOM 0 HA VAL A 49 0.062 -3.109 2.741 1.00 0.00 H new ATOM 0 HB VAL A 49 1.640 -1.431 1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.482 -0.400 0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.669 -2.154 0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.313 -1.022 1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.093 0.897 1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.270 0.295 3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.026 0.075 3.250 1.00 0.00 H new ATOM 786 N VAL A 50 2.303 -4.277 2.976 1.00 0.00 N ATOM 787 CA VAL A 50 3.629 -4.943 3.139 1.00 0.00 C ATOM 788 C VAL A 50 4.707 -4.177 2.365 1.00 0.00 C ATOM 789 O VAL A 50 4.426 -3.319 1.552 1.00 0.00 O ATOM 790 CB VAL A 50 3.532 -6.389 2.627 1.00 0.00 C ATOM 791 CG1 VAL A 50 4.912 -7.056 2.660 1.00 0.00 C ATOM 792 CG2 VAL A 50 2.571 -7.176 3.524 1.00 0.00 C ATOM 0 H VAL A 50 1.540 -4.893 2.694 1.00 0.00 H new ATOM 0 HA VAL A 50 3.905 -4.949 4.193 1.00 0.00 H new ATOM 0 HB VAL A 50 3.165 -6.380 1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.830 -8.080 2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.601 -6.499 2.025 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.288 -7.065 3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.498 -8.203 3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.945 -7.174 4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.585 -6.711 3.497 1.00 0.00 H new ATOM 802 N GLY A 51 5.944 -4.489 2.630 1.00 0.00 N ATOM 803 CA GLY A 51 7.066 -3.794 1.936 1.00 0.00 C ATOM 804 C GLY A 51 8.068 -4.816 1.398 1.00 0.00 C ATOM 805 O GLY A 51 8.316 -4.882 0.209 1.00 0.00 O ATOM 0 H GLY A 51 6.229 -5.201 3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.677 -3.189 1.117 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.565 -3.114 2.626 1.00 0.00 H new ATOM 809 N GLU A 52 8.663 -5.600 2.261 1.00 0.00 N ATOM 810 CA GLU A 52 9.668 -6.599 1.789 1.00 0.00 C ATOM 811 C GLU A 52 9.641 -7.850 2.681 1.00 0.00 C ATOM 812 O GLU A 52 8.595 -8.413 2.944 1.00 0.00 O ATOM 813 CB GLU A 52 11.058 -5.950 1.836 1.00 0.00 C ATOM 814 CG GLU A 52 11.992 -6.641 0.838 1.00 0.00 C ATOM 815 CD GLU A 52 13.431 -6.170 1.073 1.00 0.00 C ATOM 816 OE1 GLU A 52 13.660 -4.973 1.009 1.00 0.00 O ATOM 817 OE2 GLU A 52 14.278 -7.014 1.314 1.00 0.00 O ATOM 0 H GLU A 52 8.497 -5.592 3.267 1.00 0.00 H new ATOM 0 HA GLU A 52 9.431 -6.904 0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 52 10.981 -4.889 1.600 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.469 -6.024 2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.929 -7.723 0.954 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.685 -6.411 -0.182 1.00 0.00 H new ATOM 824 N ASN A 53 10.790 -8.280 3.146 1.00 0.00 N ATOM 825 CA ASN A 53 10.852 -9.485 4.027 1.00 0.00 C ATOM 826 C ASN A 53 11.529 -9.119 5.359 1.00 0.00 C ATOM 827 O ASN A 53 10.918 -9.212 6.404 1.00 0.00 O ATOM 828 CB ASN A 53 11.611 -10.615 3.310 1.00 0.00 C ATOM 829 CG ASN A 53 12.239 -11.565 4.336 1.00 0.00 C ATOM 830 OD1 ASN A 53 11.557 -12.083 5.199 1.00 0.00 O ATOM 831 ND2 ASN A 53 13.517 -11.821 4.277 1.00 0.00 N ATOM 0 H ASN A 53 11.691 -7.844 2.951 1.00 0.00 H new ATOM 0 HA ASN A 53 9.843 -9.836 4.242 1.00 0.00 H new ATOM 0 HB2 ASN A 53 10.930 -11.167 2.662 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.387 -10.193 2.671 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.942 -12.455 4.954 1.00 0.00 H new ATOM 0 HD22 ASN A 53 14.091 -11.388 3.554 1.00 0.00 H new ATOM 838 N PRO A 54 12.778 -8.695 5.336 1.00 0.00 N ATOM 839 CA PRO A 54 13.508 -8.306 6.577 1.00 0.00 C ATOM 840 C PRO A 54 13.096 -6.910 7.055 1.00 0.00 C ATOM 841 O PRO A 54 13.703 -6.339 7.941 1.00 0.00 O ATOM 842 CB PRO A 54 14.977 -8.305 6.155 1.00 0.00 C ATOM 843 CG PRO A 54 14.973 -8.049 4.684 1.00 0.00 C ATOM 844 CD PRO A 54 13.627 -8.539 4.140 1.00 0.00 C ATOM 0 HA PRO A 54 13.297 -8.983 7.405 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.536 -7.534 6.685 1.00 0.00 H new ATOM 0 HB3 PRO A 54 15.452 -9.259 6.385 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.107 -6.987 4.478 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.797 -8.574 4.200 1.00 0.00 H new ATOM 0 HD2 PRO A 54 13.198 -7.822 3.440 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.735 -9.482 3.605 1.00 0.00 H new ATOM 852 N GLY A 55 12.077 -6.356 6.453 1.00 0.00 N ATOM 853 CA GLY A 55 11.620 -4.990 6.838 1.00 0.00 C ATOM 854 C GLY A 55 11.063 -4.986 8.261 1.00 0.00 C ATOM 855 O GLY A 55 10.853 -6.021 8.865 1.00 0.00 O ATOM 0 H GLY A 55 11.539 -6.795 5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 55 12.452 -4.289 6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.854 -4.648 6.142 1.00 0.00 H new ATOM 859 N SER A 56 10.820 -3.817 8.794 1.00 0.00 N ATOM 860 CA SER A 56 10.272 -3.713 10.175 1.00 0.00 C ATOM 861 C SER A 56 8.764 -3.974 10.145 1.00 0.00 C ATOM 862 O SER A 56 8.120 -4.067 11.174 1.00 0.00 O ATOM 863 CB SER A 56 10.547 -2.311 10.723 1.00 0.00 C ATOM 864 OG SER A 56 10.102 -2.234 12.072 1.00 0.00 O ATOM 0 H SER A 56 10.980 -2.925 8.327 1.00 0.00 H new ATOM 0 HA SER A 56 10.750 -4.452 10.818 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.613 -2.090 10.667 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.034 -1.565 10.116 1.00 0.00 H new ATOM 0 HG SER A 56 9.400 -2.901 12.224 1.00 0.00 H new ATOM 870 N LYS A 57 8.197 -4.100 8.970 1.00 0.00 N ATOM 871 CA LYS A 57 6.732 -4.364 8.861 1.00 0.00 C ATOM 872 C LYS A 57 6.389 -5.639 9.632 1.00 0.00 C ATOM 873 O LYS A 57 5.252 -5.870 9.990 1.00 0.00 O ATOM 874 CB LYS A 57 6.343 -4.526 7.382 1.00 0.00 C ATOM 875 CG LYS A 57 6.741 -5.917 6.864 1.00 0.00 C ATOM 876 CD LYS A 57 8.264 -6.005 6.724 1.00 0.00 C ATOM 877 CE LYS A 57 8.621 -7.019 5.635 1.00 0.00 C ATOM 878 NZ LYS A 57 8.246 -8.390 6.086 1.00 0.00 N ATOM 0 H LYS A 57 8.690 -4.031 8.079 1.00 0.00 H new ATOM 0 HA LYS A 57 6.178 -3.526 9.284 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.269 -4.383 7.266 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.833 -3.757 6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.385 -6.686 7.550 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.267 -6.105 5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.673 -5.027 6.472 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.710 -6.303 7.673 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.099 -6.774 4.710 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.689 -6.975 5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.107 -8.952 6.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.707 -8.328 6.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.661 -8.847 5.358 1.00 0.00 H new ATOM 892 N LEU A 58 7.371 -6.465 9.889 1.00 0.00 N ATOM 893 CA LEU A 58 7.125 -7.733 10.636 1.00 0.00 C ATOM 894 C LEU A 58 6.325 -7.444 11.911 1.00 0.00 C ATOM 895 O LEU A 58 5.698 -8.320 12.467 1.00 0.00 O ATOM 896 CB LEU A 58 8.468 -8.369 11.011 1.00 0.00 C ATOM 897 CG LEU A 58 8.275 -9.864 11.288 1.00 0.00 C ATOM 898 CD1 LEU A 58 8.415 -10.651 9.982 1.00 0.00 C ATOM 899 CD2 LEU A 58 9.337 -10.339 12.286 1.00 0.00 C ATOM 0 H LEU A 58 8.340 -6.313 9.610 1.00 0.00 H new ATOM 0 HA LEU A 58 6.556 -8.416 10.005 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.185 -8.229 10.202 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.881 -7.877 11.892 1.00 0.00 H new ATOM 0 HG LEU A 58 7.282 -10.029 11.705 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.277 -11.714 10.181 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.660 -10.314 9.272 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.407 -10.486 9.562 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.201 -11.402 12.484 1.00 0.00 H new ATOM 0 HD22 LEU A 58 10.330 -10.172 11.868 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.237 -9.781 13.217 1.00 0.00 H new ATOM 911 N GLU A 59 6.341 -6.225 12.378 1.00 0.00 N ATOM 912 CA GLU A 59 5.576 -5.894 13.615 1.00 0.00 C ATOM 913 C GLU A 59 4.077 -5.894 13.311 1.00 0.00 C ATOM 914 O GLU A 59 3.334 -6.691 13.850 1.00 0.00 O ATOM 915 CB GLU A 59 6.005 -4.516 14.129 1.00 0.00 C ATOM 916 CG GLU A 59 5.274 -4.197 15.439 1.00 0.00 C ATOM 917 CD GLU A 59 5.633 -5.245 16.499 1.00 0.00 C ATOM 918 OE1 GLU A 59 6.725 -5.165 17.036 1.00 0.00 O ATOM 919 OE2 GLU A 59 4.808 -6.109 16.751 1.00 0.00 O ATOM 0 H GLU A 59 6.849 -5.446 11.958 1.00 0.00 H new ATOM 0 HA GLU A 59 5.783 -6.642 14.380 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.083 -4.498 14.290 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.781 -3.754 13.383 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.551 -3.202 15.788 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.197 -4.188 15.273 1.00 0.00 H new ATOM 926 N LYS A 60 3.621 -5.015 12.457 1.00 0.00 N ATOM 927 CA LYS A 60 2.166 -4.987 12.140 1.00 0.00 C ATOM 928 C LYS A 60 1.851 -6.055 11.095 1.00 0.00 C ATOM 929 O LYS A 60 0.796 -6.647 11.114 1.00 0.00 O ATOM 930 CB LYS A 60 1.772 -3.611 11.601 1.00 0.00 C ATOM 931 CG LYS A 60 0.250 -3.434 11.715 1.00 0.00 C ATOM 932 CD LYS A 60 -0.072 -1.999 12.139 1.00 0.00 C ATOM 933 CE LYS A 60 -0.159 -1.108 10.899 1.00 0.00 C ATOM 934 NZ LYS A 60 -1.397 -1.437 10.138 1.00 0.00 N ATOM 0 H LYS A 60 4.189 -4.322 11.970 1.00 0.00 H new ATOM 0 HA LYS A 60 1.600 -5.187 13.050 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.283 -2.829 12.162 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.084 -3.513 10.561 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.224 -3.656 10.759 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.154 -4.138 12.443 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.015 -1.973 12.685 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.698 -1.626 12.814 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.167 -0.058 11.192 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.718 -1.256 10.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.144 -1.721 9.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.896 -2.219 10.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.016 -0.602 10.104 1.00 0.00 H new ATOM 948 N ALA A 61 2.761 -6.309 10.189 1.00 0.00 N ATOM 949 CA ALA A 61 2.510 -7.347 9.145 1.00 0.00 C ATOM 950 C ALA A 61 2.344 -8.710 9.819 1.00 0.00 C ATOM 951 O ALA A 61 1.512 -9.504 9.423 1.00 0.00 O ATOM 952 CB ALA A 61 3.680 -7.391 8.164 1.00 0.00 C ATOM 0 H ALA A 61 3.666 -5.843 10.128 1.00 0.00 H new ATOM 0 HA ALA A 61 1.601 -7.099 8.597 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.490 -8.150 7.405 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.790 -6.418 7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.596 -7.636 8.701 1.00 0.00 H new ATOM 958 N ARG A 62 3.104 -8.984 10.849 1.00 0.00 N ATOM 959 CA ARG A 62 2.946 -10.289 11.552 1.00 0.00 C ATOM 960 C ARG A 62 1.628 -10.243 12.318 1.00 0.00 C ATOM 961 O ARG A 62 0.890 -11.204 12.349 1.00 0.00 O ATOM 962 CB ARG A 62 4.106 -10.511 12.528 1.00 0.00 C ATOM 963 CG ARG A 62 3.951 -11.876 13.208 1.00 0.00 C ATOM 964 CD ARG A 62 5.316 -12.358 13.709 1.00 0.00 C ATOM 965 NE ARG A 62 5.121 -13.425 14.731 1.00 0.00 N ATOM 966 CZ ARG A 62 5.891 -13.471 15.785 1.00 0.00 C ATOM 967 NH1 ARG A 62 5.781 -12.559 16.713 1.00 0.00 N ATOM 968 NH2 ARG A 62 6.770 -14.427 15.911 1.00 0.00 N ATOM 0 H ARG A 62 3.820 -8.366 11.229 1.00 0.00 H new ATOM 0 HA ARG A 62 2.947 -11.108 10.833 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.056 -10.464 11.996 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.121 -9.720 13.277 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.252 -11.801 14.041 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.534 -12.598 12.506 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.907 -12.740 12.877 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.873 -11.525 14.139 1.00 0.00 H new ATOM 0 HE ARG A 62 4.385 -14.120 14.607 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.094 -11.811 16.614 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.382 -12.594 17.536 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.856 -15.139 15.186 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.371 -14.462 16.734 1.00 0.00 H new ATOM 982 N ALA A 63 1.320 -9.099 12.889 1.00 0.00 N ATOM 983 CA ALA A 63 0.033 -8.898 13.632 1.00 0.00 C ATOM 984 C ALA A 63 -0.387 -10.135 14.434 1.00 0.00 C ATOM 985 O ALA A 63 -0.864 -11.114 13.891 1.00 0.00 O ATOM 986 CB ALA A 63 -1.069 -8.560 12.632 1.00 0.00 C ATOM 0 H ALA A 63 1.923 -8.277 12.869 1.00 0.00 H new ATOM 0 HA ALA A 63 0.189 -8.085 14.341 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.009 -8.412 13.163 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.807 -7.647 12.097 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.179 -9.379 11.921 1.00 0.00 H new ATOM 992 N LEU A 64 -0.260 -10.079 15.730 1.00 0.00 N ATOM 993 CA LEU A 64 -0.685 -11.232 16.571 1.00 0.00 C ATOM 994 C LEU A 64 -2.190 -11.117 16.858 1.00 0.00 C ATOM 995 O LEU A 64 -2.665 -11.531 17.899 1.00 0.00 O ATOM 996 CB LEU A 64 0.101 -11.224 17.891 1.00 0.00 C ATOM 997 CG LEU A 64 0.124 -9.807 18.480 1.00 0.00 C ATOM 998 CD1 LEU A 64 -0.043 -9.879 20.000 1.00 0.00 C ATOM 999 CD2 LEU A 64 1.461 -9.135 18.147 1.00 0.00 C ATOM 0 H LEU A 64 0.120 -9.284 16.244 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.486 -12.166 16.045 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.356 -11.914 18.600 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.120 -11.572 17.719 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.693 -9.226 18.052 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.026 -8.872 20.416 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.994 -10.355 20.239 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.772 -10.462 20.428 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.477 -8.129 18.566 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.277 -9.718 18.573 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.581 -9.080 17.065 1.00 0.00 H new ATOM 1011 N GLY A 65 -2.947 -10.560 15.939 1.00 0.00 N ATOM 1012 CA GLY A 65 -4.415 -10.423 16.152 1.00 0.00 C ATOM 1013 C GLY A 65 -4.965 -9.374 15.185 1.00 0.00 C ATOM 1014 O GLY A 65 -6.092 -9.455 14.736 1.00 0.00 O ATOM 0 H GLY A 65 -2.605 -10.195 15.050 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.910 -11.381 15.989 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.620 -10.129 17.182 1.00 0.00 H new ATOM 1018 N VAL A 66 -4.175 -8.380 14.875 1.00 0.00 N ATOM 1019 CA VAL A 66 -4.641 -7.303 13.950 1.00 0.00 C ATOM 1020 C VAL A 66 -4.567 -7.777 12.488 1.00 0.00 C ATOM 1021 O VAL A 66 -3.901 -8.741 12.174 1.00 0.00 O ATOM 1022 CB VAL A 66 -3.782 -6.038 14.129 1.00 0.00 C ATOM 1023 CG1 VAL A 66 -4.587 -4.974 14.877 1.00 0.00 C ATOM 1024 CG2 VAL A 66 -2.514 -6.363 14.929 1.00 0.00 C ATOM 0 H VAL A 66 -3.223 -8.267 15.224 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.678 -7.069 14.193 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.498 -5.666 13.145 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.978 -4.079 15.003 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.482 -4.727 14.306 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.876 -5.357 15.856 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.917 -5.459 15.047 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.792 -6.746 15.911 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.931 -7.116 14.398 1.00 0.00 H new ATOM 1034 N PRO A 67 -5.260 -7.099 11.599 1.00 0.00 N ATOM 1035 CA PRO A 67 -5.287 -7.435 10.152 1.00 0.00 C ATOM 1036 C PRO A 67 -4.206 -6.689 9.351 1.00 0.00 C ATOM 1037 O PRO A 67 -3.952 -5.521 9.572 1.00 0.00 O ATOM 1038 CB PRO A 67 -6.684 -6.983 9.720 1.00 0.00 C ATOM 1039 CG PRO A 67 -7.101 -5.915 10.694 1.00 0.00 C ATOM 1040 CD PRO A 67 -6.111 -5.934 11.871 1.00 0.00 C ATOM 0 HA PRO A 67 -5.086 -8.491 9.973 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.670 -6.596 8.701 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.385 -7.818 9.734 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.101 -4.938 10.211 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.116 -6.096 11.047 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.527 -5.015 11.916 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.628 -6.031 12.826 1.00 0.00 H new ATOM 1048 N THR A 68 -3.572 -7.364 8.423 1.00 0.00 N ATOM 1049 CA THR A 68 -2.504 -6.717 7.593 1.00 0.00 C ATOM 1050 C THR A 68 -2.813 -6.962 6.113 1.00 0.00 C ATOM 1051 O THR A 68 -3.177 -8.056 5.726 1.00 0.00 O ATOM 1052 CB THR A 68 -1.146 -7.335 7.946 1.00 0.00 C ATOM 1053 OG1 THR A 68 -0.972 -8.553 7.234 1.00 0.00 O ATOM 1054 CG2 THR A 68 -1.087 -7.610 9.450 1.00 0.00 C ATOM 0 H THR A 68 -3.749 -8.344 8.202 1.00 0.00 H new ATOM 0 HA THR A 68 -2.473 -5.645 7.790 1.00 0.00 H new ATOM 0 HB THR A 68 -0.352 -6.641 7.670 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.102 -8.943 7.461 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.122 -8.049 9.702 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.214 -6.675 9.996 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.883 -8.302 9.725 1.00 0.00 H new ATOM 1062 N LEU A 69 -2.688 -5.957 5.278 1.00 0.00 N ATOM 1063 CA LEU A 69 -2.995 -6.150 3.829 1.00 0.00 C ATOM 1064 C LEU A 69 -1.703 -6.159 3.006 1.00 0.00 C ATOM 1065 O LEU A 69 -0.894 -5.252 3.074 1.00 0.00 O ATOM 1066 CB LEU A 69 -3.899 -5.008 3.347 1.00 0.00 C ATOM 1067 CG LEU A 69 -5.363 -5.467 3.325 1.00 0.00 C ATOM 1068 CD1 LEU A 69 -5.554 -6.536 2.243 1.00 0.00 C ATOM 1069 CD2 LEU A 69 -5.748 -6.048 4.692 1.00 0.00 C ATOM 0 H LEU A 69 -2.388 -5.017 5.538 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.502 -7.106 3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.790 -4.146 4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.595 -4.689 2.350 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.001 -4.611 3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.595 -6.859 2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.292 -6.120 1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.911 -7.390 2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.789 -6.372 4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.107 -6.900 4.919 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.622 -5.285 5.460 1.00 0.00 H new ATOM 1081 N THR A 70 -1.507 -7.187 2.226 1.00 0.00 N ATOM 1082 CA THR A 70 -0.278 -7.278 1.387 1.00 0.00 C ATOM 1083 C THR A 70 -0.237 -6.109 0.399 1.00 0.00 C ATOM 1084 O THR A 70 -1.248 -5.712 -0.149 1.00 0.00 O ATOM 1085 CB THR A 70 -0.304 -8.593 0.603 1.00 0.00 C ATOM 1086 OG1 THR A 70 -0.784 -9.636 1.442 1.00 0.00 O ATOM 1087 CG2 THR A 70 1.107 -8.936 0.119 1.00 0.00 C ATOM 0 H THR A 70 -2.150 -7.973 2.133 1.00 0.00 H new ATOM 0 HA THR A 70 0.602 -7.241 2.029 1.00 0.00 H new ATOM 0 HB THR A 70 -0.963 -8.485 -0.258 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.802 -10.477 0.940 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.083 -9.873 -0.438 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.474 -8.139 -0.527 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.770 -9.042 0.977 1.00 0.00 H new ATOM 1095 N GLU A 71 0.930 -5.571 0.149 1.00 0.00 N ATOM 1096 CA GLU A 71 1.043 -4.447 -0.824 1.00 0.00 C ATOM 1097 C GLU A 71 0.870 -5.005 -2.239 1.00 0.00 C ATOM 1098 O GLU A 71 0.560 -4.289 -3.166 1.00 0.00 O ATOM 1099 CB GLU A 71 2.418 -3.785 -0.689 1.00 0.00 C ATOM 1100 CG GLU A 71 2.421 -2.437 -1.421 1.00 0.00 C ATOM 1101 CD GLU A 71 3.598 -1.589 -0.932 1.00 0.00 C ATOM 1102 OE1 GLU A 71 4.729 -1.993 -1.154 1.00 0.00 O ATOM 1103 OE2 GLU A 71 3.351 -0.549 -0.344 1.00 0.00 O ATOM 0 H GLU A 71 1.808 -5.863 0.578 1.00 0.00 H new ATOM 0 HA GLU A 71 0.273 -3.702 -0.625 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.659 -3.638 0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.187 -4.436 -1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.497 -2.596 -2.497 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.483 -1.912 -1.242 1.00 0.00 H new ATOM 1110 N GLU A 72 1.074 -6.290 -2.401 1.00 0.00 N ATOM 1111 CA GLU A 72 0.923 -6.925 -3.745 1.00 0.00 C ATOM 1112 C GLU A 72 -0.352 -6.398 -4.415 1.00 0.00 C ATOM 1113 O GLU A 72 -0.349 -6.035 -5.575 1.00 0.00 O ATOM 1114 CB GLU A 72 0.826 -8.445 -3.583 1.00 0.00 C ATOM 1115 CG GLU A 72 1.181 -9.131 -4.906 1.00 0.00 C ATOM 1116 CD GLU A 72 2.698 -9.325 -4.993 1.00 0.00 C ATOM 1117 OE1 GLU A 72 3.184 -10.298 -4.439 1.00 0.00 O ATOM 1118 OE2 GLU A 72 3.347 -8.496 -5.610 1.00 0.00 O ATOM 0 H GLU A 72 1.341 -6.930 -1.653 1.00 0.00 H new ATOM 0 HA GLU A 72 1.787 -6.681 -4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.502 -8.780 -2.796 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.182 -8.724 -3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.676 -10.095 -4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.833 -8.528 -5.745 1.00 0.00 H new ATOM 1125 N GLU A 73 -1.438 -6.348 -3.684 1.00 0.00 N ATOM 1126 CA GLU A 73 -2.713 -5.837 -4.265 1.00 0.00 C ATOM 1127 C GLU A 73 -2.512 -4.389 -4.721 1.00 0.00 C ATOM 1128 O GLU A 73 -3.005 -3.980 -5.754 1.00 0.00 O ATOM 1129 CB GLU A 73 -3.816 -5.894 -3.203 1.00 0.00 C ATOM 1130 CG GLU A 73 -5.182 -5.683 -3.862 1.00 0.00 C ATOM 1131 CD GLU A 73 -5.507 -6.873 -4.771 1.00 0.00 C ATOM 1132 OE1 GLU A 73 -5.879 -7.910 -4.247 1.00 0.00 O ATOM 1133 OE2 GLU A 73 -5.379 -6.727 -5.977 1.00 0.00 O ATOM 0 H GLU A 73 -1.494 -6.640 -2.708 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.002 -6.451 -5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.793 -6.857 -2.693 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.645 -5.128 -2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.952 -5.576 -3.098 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.178 -4.760 -4.442 1.00 0.00 H new ATOM 1140 N LEU A 74 -1.777 -3.617 -3.961 1.00 0.00 N ATOM 1141 CA LEU A 74 -1.522 -2.201 -4.351 1.00 0.00 C ATOM 1142 C LEU A 74 -0.862 -2.191 -5.730 1.00 0.00 C ATOM 1143 O LEU A 74 -1.232 -1.429 -6.598 1.00 0.00 O ATOM 1144 CB LEU A 74 -0.588 -1.548 -3.314 1.00 0.00 C ATOM 1145 CG LEU A 74 -0.280 -0.083 -3.677 1.00 0.00 C ATOM 1146 CD1 LEU A 74 0.760 -0.022 -4.803 1.00 0.00 C ATOM 1147 CD2 LEU A 74 -1.560 0.636 -4.121 1.00 0.00 C ATOM 0 H LEU A 74 -1.342 -3.909 -3.086 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.456 -1.641 -4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.051 -1.590 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.342 -2.113 -3.254 1.00 0.00 H new ATOM 0 HG LEU A 74 0.120 0.414 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.968 1.019 -5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.679 -0.509 -4.476 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.372 -0.533 -5.684 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.327 1.670 -4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.976 0.133 -4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.288 0.616 -3.310 1.00 0.00 H new ATOM 1159 N TYR A 75 0.103 -3.048 -5.939 1.00 0.00 N ATOM 1160 CA TYR A 75 0.787 -3.106 -7.264 1.00 0.00 C ATOM 1161 C TYR A 75 -0.208 -3.565 -8.333 1.00 0.00 C ATOM 1162 O TYR A 75 -0.158 -3.126 -9.466 1.00 0.00 O ATOM 1163 CB TYR A 75 1.950 -4.100 -7.196 1.00 0.00 C ATOM 1164 CG TYR A 75 3.154 -3.434 -6.569 1.00 0.00 C ATOM 1165 CD1 TYR A 75 4.072 -2.747 -7.375 1.00 0.00 C ATOM 1166 CD2 TYR A 75 3.355 -3.506 -5.185 1.00 0.00 C ATOM 1167 CE1 TYR A 75 5.189 -2.133 -6.797 1.00 0.00 C ATOM 1168 CE2 TYR A 75 4.472 -2.891 -4.607 1.00 0.00 C ATOM 1169 CZ TYR A 75 5.389 -2.205 -5.412 1.00 0.00 C ATOM 1170 OH TYR A 75 6.491 -1.599 -4.842 1.00 0.00 O ATOM 0 H TYR A 75 0.448 -3.712 -5.246 1.00 0.00 H new ATOM 0 HA TYR A 75 1.166 -2.116 -7.518 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.661 -4.974 -6.612 1.00 0.00 H new ATOM 0 HB3 TYR A 75 2.198 -4.453 -8.197 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.917 -2.691 -8.442 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.648 -4.036 -4.564 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.897 -1.604 -7.418 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.626 -2.946 -3.539 1.00 0.00 H new ATOM 0 HH TYR A 75 6.479 -1.743 -3.873 1.00 0.00 H new ATOM 1180 N ARG A 76 -1.109 -4.445 -7.982 1.00 0.00 N ATOM 1181 CA ARG A 76 -2.107 -4.937 -8.978 1.00 0.00 C ATOM 1182 C ARG A 76 -2.971 -3.767 -9.455 1.00 0.00 C ATOM 1183 O ARG A 76 -2.803 -3.273 -10.554 1.00 0.00 O ATOM 1184 CB ARG A 76 -2.999 -6.002 -8.329 1.00 0.00 C ATOM 1185 CG ARG A 76 -2.268 -7.348 -8.314 1.00 0.00 C ATOM 1186 CD ARG A 76 -3.141 -8.400 -7.624 1.00 0.00 C ATOM 1187 NE ARG A 76 -4.499 -8.407 -8.243 1.00 0.00 N ATOM 1188 CZ ARG A 76 -4.866 -9.394 -9.017 1.00 0.00 C ATOM 1189 NH1 ARG A 76 -4.011 -9.932 -9.844 1.00 0.00 N ATOM 1190 NH2 ARG A 76 -6.091 -9.842 -8.963 1.00 0.00 N ATOM 0 H ARG A 76 -1.197 -4.845 -7.048 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.585 -5.374 -9.829 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.255 -5.705 -7.312 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.935 -6.092 -8.880 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.041 -7.661 -9.333 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.317 -7.251 -7.791 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.683 -9.385 -7.716 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.217 -8.182 -6.559 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.144 -7.638 -8.061 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.054 -9.582 -9.887 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.300 -10.702 -10.447 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.760 -9.422 -8.318 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.379 -10.612 -9.566 1.00 0.00 H new ATOM 1204 N LEU A 77 -3.904 -3.333 -8.643 1.00 0.00 N ATOM 1205 CA LEU A 77 -4.794 -2.205 -9.050 1.00 0.00 C ATOM 1206 C LEU A 77 -3.957 -1.042 -9.588 1.00 0.00 C ATOM 1207 O LEU A 77 -4.367 -0.345 -10.490 1.00 0.00 O ATOM 1208 CB LEU A 77 -5.615 -1.728 -7.845 1.00 0.00 C ATOM 1209 CG LEU A 77 -6.782 -2.691 -7.579 1.00 0.00 C ATOM 1210 CD1 LEU A 77 -7.638 -2.844 -8.841 1.00 0.00 C ATOM 1211 CD2 LEU A 77 -6.238 -4.061 -7.161 1.00 0.00 C ATOM 0 H LEU A 77 -4.087 -3.713 -7.714 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.467 -2.554 -9.833 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.977 -1.667 -6.963 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.998 -0.725 -8.032 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.398 -2.284 -6.777 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.462 -3.529 -8.641 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.036 -1.872 -9.131 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.025 -3.241 -9.650 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.069 -4.741 -6.973 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.613 -4.463 -7.959 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.644 -3.955 -6.253 1.00 0.00 H new ATOM 1223 N LEU A 78 -2.783 -0.830 -9.051 1.00 0.00 N ATOM 1224 CA LEU A 78 -1.929 0.287 -9.552 1.00 0.00 C ATOM 1225 C LEU A 78 -1.572 0.027 -11.020 1.00 0.00 C ATOM 1226 O LEU A 78 -1.959 0.769 -11.901 1.00 0.00 O ATOM 1227 CB LEU A 78 -0.649 0.364 -8.712 1.00 0.00 C ATOM 1228 CG LEU A 78 0.191 1.571 -9.141 1.00 0.00 C ATOM 1229 CD1 LEU A 78 -0.264 2.813 -8.372 1.00 0.00 C ATOM 1230 CD2 LEU A 78 1.667 1.298 -8.834 1.00 0.00 C ATOM 0 H LEU A 78 -2.381 -1.379 -8.291 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.468 1.231 -9.472 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.903 0.445 -7.655 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.071 -0.552 -8.832 1.00 0.00 H new ATOM 0 HG LEU A 78 0.063 1.739 -10.210 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.335 3.671 -8.679 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.315 3.009 -8.586 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.137 2.646 -7.302 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.267 2.156 -9.139 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.791 1.130 -7.764 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.995 0.414 -9.381 1.00 0.00 H new ATOM 1242 N GLU A 79 -0.831 -1.020 -11.281 1.00 0.00 N ATOM 1243 CA GLU A 79 -0.432 -1.343 -12.686 1.00 0.00 C ATOM 1244 C GLU A 79 -1.665 -1.338 -13.603 1.00 0.00 C ATOM 1245 O GLU A 79 -1.587 -0.945 -14.752 1.00 0.00 O ATOM 1246 CB GLU A 79 0.224 -2.728 -12.722 1.00 0.00 C ATOM 1247 CG GLU A 79 1.329 -2.754 -13.786 1.00 0.00 C ATOM 1248 CD GLU A 79 0.711 -2.594 -15.179 1.00 0.00 C ATOM 1249 OE1 GLU A 79 -0.044 -3.466 -15.576 1.00 0.00 O ATOM 1250 OE2 GLU A 79 1.003 -1.602 -15.824 1.00 0.00 O ATOM 0 H GLU A 79 -0.483 -1.670 -10.576 1.00 0.00 H new ATOM 0 HA GLU A 79 0.274 -0.590 -13.037 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.643 -2.967 -11.744 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.524 -3.489 -12.943 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.044 -1.952 -13.601 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.880 -3.692 -13.728 1.00 0.00 H new ATOM 1257 N ALA A 80 -2.800 -1.759 -13.107 1.00 0.00 N ATOM 1258 CA ALA A 80 -4.026 -1.766 -13.960 1.00 0.00 C ATOM 1259 C ALA A 80 -4.627 -0.358 -13.980 1.00 0.00 C ATOM 1260 O ALA A 80 -4.649 0.298 -15.002 1.00 0.00 O ATOM 1261 CB ALA A 80 -5.045 -2.754 -13.386 1.00 0.00 C ATOM 0 H ALA A 80 -2.931 -2.097 -12.153 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.768 -2.069 -14.975 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.939 -2.758 -14.010 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.611 -3.754 -13.367 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.311 -2.455 -12.372 1.00 0.00 H new ATOM 1267 N ARG A 81 -5.116 0.102 -12.854 1.00 0.00 N ATOM 1268 CA ARG A 81 -5.723 1.468 -12.786 1.00 0.00 C ATOM 1269 C ARG A 81 -4.854 2.443 -13.584 1.00 0.00 C ATOM 1270 O ARG A 81 -5.341 3.185 -14.417 1.00 0.00 O ATOM 1271 CB ARG A 81 -5.807 1.926 -11.326 1.00 0.00 C ATOM 1272 CG ARG A 81 -6.809 3.079 -11.208 1.00 0.00 C ATOM 1273 CD ARG A 81 -6.735 3.680 -9.804 1.00 0.00 C ATOM 1274 NE ARG A 81 -7.979 4.456 -9.529 1.00 0.00 N ATOM 1275 CZ ARG A 81 -7.982 5.754 -9.669 1.00 0.00 C ATOM 1276 NH1 ARG A 81 -7.964 6.281 -10.862 1.00 0.00 N ATOM 1277 NH2 ARG A 81 -7.999 6.523 -8.615 1.00 0.00 N ATOM 0 H ARG A 81 -5.121 -0.414 -11.974 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.728 1.443 -13.208 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.116 1.096 -10.691 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.825 2.246 -10.977 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.589 3.843 -11.954 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.818 2.719 -11.408 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.616 2.889 -9.064 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.863 4.329 -9.720 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.827 3.973 -9.232 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.948 5.679 -11.685 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.966 7.295 -10.972 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.010 6.110 -7.682 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.001 7.537 -8.724 1.00 0.00 H new ATOM 1291 N THR A 82 -3.564 2.424 -13.357 1.00 0.00 N ATOM 1292 CA THR A 82 -2.656 3.323 -14.125 1.00 0.00 C ATOM 1293 C THR A 82 -2.699 2.901 -15.593 1.00 0.00 C ATOM 1294 O THR A 82 -2.912 3.704 -16.479 1.00 0.00 O ATOM 1295 CB THR A 82 -1.226 3.185 -13.589 1.00 0.00 C ATOM 1296 OG1 THR A 82 -1.206 3.517 -12.207 1.00 0.00 O ATOM 1297 CG2 THR A 82 -0.292 4.124 -14.356 1.00 0.00 C ATOM 0 H THR A 82 -3.103 1.824 -12.673 1.00 0.00 H new ATOM 0 HA THR A 82 -2.972 4.361 -14.022 1.00 0.00 H new ATOM 0 HB THR A 82 -0.888 2.157 -13.722 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.446 2.728 -11.678 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.723 4.022 -13.971 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.306 3.866 -15.415 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.626 5.154 -14.229 1.00 0.00 H new ATOM 1305 N GLY A 83 -2.498 1.635 -15.842 1.00 0.00 N ATOM 1306 CA GLY A 83 -2.523 1.124 -17.241 1.00 0.00 C ATOM 1307 C GLY A 83 -1.128 1.239 -17.848 1.00 0.00 C ATOM 1308 O GLY A 83 -0.958 1.168 -19.049 1.00 0.00 O ATOM 0 H GLY A 83 -2.316 0.928 -15.130 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.853 0.085 -17.254 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.238 1.693 -17.835 1.00 0.00 H new ATOM 1312 N LYS A 84 -0.125 1.410 -17.026 1.00 0.00 N ATOM 1313 CA LYS A 84 1.268 1.523 -17.547 1.00 0.00 C ATOM 1314 C LYS A 84 2.229 0.946 -16.508 1.00 0.00 C ATOM 1315 O LYS A 84 1.934 0.919 -15.329 1.00 0.00 O ATOM 1316 CB LYS A 84 1.606 2.997 -17.793 1.00 0.00 C ATOM 1317 CG LYS A 84 3.012 3.112 -18.393 1.00 0.00 C ATOM 1318 CD LYS A 84 3.225 4.523 -18.946 1.00 0.00 C ATOM 1319 CE LYS A 84 3.563 5.482 -17.801 1.00 0.00 C ATOM 1320 NZ LYS A 84 4.006 6.790 -18.362 1.00 0.00 N ATOM 0 H LYS A 84 -0.212 1.476 -16.012 1.00 0.00 H new ATOM 0 HA LYS A 84 1.359 0.974 -18.484 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.874 3.440 -18.469 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.553 3.553 -16.857 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.761 2.893 -17.632 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.140 2.377 -19.188 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.032 4.518 -19.679 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.327 4.861 -19.463 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.691 5.625 -17.163 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.349 5.057 -17.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.236 7.441 -17.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.849 6.646 -18.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.243 7.196 -18.940 1.00 0.00 H new ATOM 1334 N LYS A 85 3.376 0.483 -16.933 1.00 0.00 N ATOM 1335 CA LYS A 85 4.353 -0.093 -15.965 1.00 0.00 C ATOM 1336 C LYS A 85 4.800 0.998 -14.986 1.00 0.00 C ATOM 1337 O LYS A 85 5.639 1.819 -15.299 1.00 0.00 O ATOM 1338 CB LYS A 85 5.570 -0.649 -16.720 1.00 0.00 C ATOM 1339 CG LYS A 85 5.959 0.292 -17.866 1.00 0.00 C ATOM 1340 CD LYS A 85 7.348 -0.086 -18.391 1.00 0.00 C ATOM 1341 CE LYS A 85 7.721 0.824 -19.566 1.00 0.00 C ATOM 1342 NZ LYS A 85 8.474 0.039 -20.583 1.00 0.00 N ATOM 0 H LYS A 85 3.677 0.479 -17.908 1.00 0.00 H new ATOM 0 HA LYS A 85 3.881 -0.905 -15.412 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.410 -0.766 -16.035 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.341 -1.639 -17.115 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.225 0.226 -18.669 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.959 1.325 -17.518 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.087 0.010 -17.595 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.356 -1.129 -18.709 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.821 1.248 -20.012 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.326 1.660 -19.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.727 0.657 -21.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.340 -0.345 -20.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.881 -0.744 -20.926 1.00 0.00 H new ATOM 1356 N ALA A 86 4.234 1.016 -13.805 1.00 0.00 N ATOM 1357 CA ALA A 86 4.610 2.051 -12.795 1.00 0.00 C ATOM 1358 C ALA A 86 6.132 2.086 -12.631 1.00 0.00 C ATOM 1359 O ALA A 86 6.705 3.100 -12.284 1.00 0.00 O ATOM 1360 CB ALA A 86 3.965 1.702 -11.452 1.00 0.00 C ATOM 0 H ALA A 86 3.523 0.353 -13.496 1.00 0.00 H new ATOM 0 HA ALA A 86 4.261 3.027 -13.131 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.236 2.454 -10.712 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.881 1.678 -11.564 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.317 0.725 -11.122 1.00 0.00 H new ATOM 1366 N GLU A 87 6.785 0.984 -12.881 1.00 0.00 N ATOM 1367 CA GLU A 87 8.268 0.934 -12.745 1.00 0.00 C ATOM 1368 C GLU A 87 8.913 1.732 -13.883 1.00 0.00 C ATOM 1369 O GLU A 87 9.940 2.358 -13.706 1.00 0.00 O ATOM 1370 CB GLU A 87 8.727 -0.524 -12.816 1.00 0.00 C ATOM 1371 CG GLU A 87 8.492 -1.208 -11.464 1.00 0.00 C ATOM 1372 CD GLU A 87 6.999 -1.167 -11.116 1.00 0.00 C ATOM 1373 OE1 GLU A 87 6.222 -1.758 -11.849 1.00 0.00 O ATOM 1374 OE2 GLU A 87 6.658 -0.544 -10.124 1.00 0.00 O ATOM 0 H GLU A 87 6.351 0.109 -13.176 1.00 0.00 H new ATOM 0 HA GLU A 87 8.566 1.366 -11.790 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.181 -1.049 -13.600 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.784 -0.570 -13.078 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.838 -2.241 -11.503 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.070 -0.708 -10.687 1.00 0.00 H new ATOM 1381 N GLU A 88 8.310 1.712 -15.046 1.00 0.00 N ATOM 1382 CA GLU A 88 8.866 2.464 -16.214 1.00 0.00 C ATOM 1383 C GLU A 88 10.320 2.041 -16.467 1.00 0.00 C ATOM 1384 O GLU A 88 10.578 1.052 -17.124 1.00 0.00 O ATOM 1385 CB GLU A 88 8.801 3.974 -15.941 1.00 0.00 C ATOM 1386 CG GLU A 88 7.387 4.493 -16.223 1.00 0.00 C ATOM 1387 CD GLU A 88 7.115 4.464 -17.731 1.00 0.00 C ATOM 1388 OE1 GLU A 88 7.665 5.301 -18.428 1.00 0.00 O ATOM 1389 OE2 GLU A 88 6.360 3.608 -18.161 1.00 0.00 O ATOM 0 H GLU A 88 7.448 1.202 -15.238 1.00 0.00 H new ATOM 0 HA GLU A 88 8.272 2.235 -17.099 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.073 4.177 -14.905 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.522 4.498 -16.569 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.653 3.880 -15.700 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.280 5.510 -15.844 1.00 0.00 H new ATOM 1396 N LEU A 89 11.267 2.790 -15.957 1.00 0.00 N ATOM 1397 CA LEU A 89 12.705 2.444 -16.172 1.00 0.00 C ATOM 1398 C LEU A 89 12.992 1.039 -15.634 1.00 0.00 C ATOM 1399 O LEU A 89 13.341 0.144 -16.379 1.00 0.00 O ATOM 1400 CB LEU A 89 13.587 3.464 -15.442 1.00 0.00 C ATOM 1401 CG LEU A 89 15.068 3.127 -15.662 1.00 0.00 C ATOM 1402 CD1 LEU A 89 15.435 3.348 -17.131 1.00 0.00 C ATOM 1403 CD2 LEU A 89 15.932 4.032 -14.779 1.00 0.00 C ATOM 0 H LEU A 89 11.104 3.629 -15.399 1.00 0.00 H new ATOM 0 HA LEU A 89 12.924 2.467 -17.239 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.375 4.469 -15.808 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.358 3.459 -14.376 1.00 0.00 H new ATOM 0 HG LEU A 89 15.244 2.084 -15.400 1.00 0.00 H new ATOM 0 HD11 LEU A 89 16.487 3.108 -17.283 1.00 0.00 H new ATOM 0 HD12 LEU A 89 14.821 2.704 -17.760 1.00 0.00 H new ATOM 0 HD13 LEU A 89 15.259 4.390 -17.397 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.984 3.794 -14.934 1.00 0.00 H new ATOM 0 HD22 LEU A 89 15.753 5.075 -15.042 1.00 0.00 H new ATOM 0 HD23 LEU A 89 15.674 3.872 -13.732 1.00 0.00 H new ATOM 1415 N VAL A 90 12.856 0.841 -14.349 1.00 0.00 N ATOM 1416 CA VAL A 90 13.130 -0.505 -13.761 1.00 0.00 C ATOM 1417 C VAL A 90 11.932 -1.433 -14.000 1.00 0.00 C ATOM 1418 O VAL A 90 11.560 -2.215 -13.145 1.00 0.00 O ATOM 1419 CB VAL A 90 13.381 -0.365 -12.254 1.00 0.00 C ATOM 1420 CG1 VAL A 90 14.751 0.276 -12.020 1.00 0.00 C ATOM 1421 CG2 VAL A 90 12.293 0.515 -11.625 1.00 0.00 C ATOM 0 H VAL A 90 12.567 1.554 -13.680 1.00 0.00 H new ATOM 0 HA VAL A 90 14.012 -0.932 -14.238 1.00 0.00 H new ATOM 0 HB VAL A 90 13.357 -1.353 -11.794 1.00 0.00 H new ATOM 0 HG11 VAL A 90 14.928 0.375 -10.949 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.526 -0.352 -12.460 1.00 0.00 H new ATOM 0 HG13 VAL A 90 14.776 1.262 -12.484 1.00 0.00 H new ATOM 0 HG21 VAL A 90 12.476 0.611 -10.555 1.00 0.00 H new ATOM 0 HG22 VAL A 90 12.312 1.502 -12.086 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.317 0.058 -11.786 1.00 0.00 H new ATOM 1431 N GLY A 91 11.333 -1.356 -15.159 1.00 0.00 N ATOM 1432 CA GLY A 91 10.164 -2.232 -15.462 1.00 0.00 C ATOM 1433 C GLY A 91 10.654 -3.530 -16.108 1.00 0.00 C ATOM 1434 O GLY A 91 11.570 -3.527 -16.908 1.00 0.00 O ATOM 0 H GLY A 91 11.604 -0.722 -15.911 1.00 0.00 H new ATOM 0 HA2 GLY A 91 9.615 -2.453 -14.547 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.474 -1.718 -16.131 1.00 0.00 H new ATOM 1438 N SER A 92 10.048 -4.639 -15.768 1.00 0.00 N ATOM 1439 CA SER A 92 10.470 -5.943 -16.358 1.00 0.00 C ATOM 1440 C SER A 92 9.260 -6.877 -16.440 1.00 0.00 C ATOM 1441 O SER A 92 9.209 -7.673 -17.364 1.00 0.00 O ATOM 1442 CB SER A 92 11.547 -6.581 -15.477 1.00 0.00 C ATOM 1443 OG SER A 92 12.686 -5.731 -15.431 1.00 0.00 O ATOM 0 H SER A 92 9.276 -4.696 -15.104 1.00 0.00 H new ATOM 0 HA SER A 92 10.873 -5.776 -17.357 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.160 -6.743 -14.471 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.825 -7.558 -15.873 1.00 0.00 H new ATOM 0 HG SER A 92 13.375 -6.138 -14.866 1.00 0.00 H new TER 1449 SER A 92