USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 726 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 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -105:sc= -0.0272 (180deg=-0.263) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 177:sc= -0.156 (180deg=-0.235) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -139:sc= -0.247 (180deg=-2.74!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -0.115 (180deg=-0.458) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -6:sc= 0.782 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.697 USER MOD Single : A 49 GLN : amide:sc= -1.02 K(o=-1,f=-3.4!) USER MOD Single : A 50 SER OG : rot -22:sc= 0.804 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.0567 F(o=-0.68,f=-0.057) USER MOD Single : A 52 HIS : no HD1:sc= -0.621 X(o=-0.62,f=-0.34) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.992 USER MOD Single : A 60 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.4) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -146:sc= -0.932 (180deg=-1.98) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-2.5!) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0736 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0481 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -12.253 18.247 -8.813 1.00 0.00 N ATOM 2 CA LEU A 1 -11.149 18.665 -7.911 1.00 0.00 C ATOM 3 C LEU A 1 -11.539 18.487 -6.447 1.00 0.00 C ATOM 4 O LEU A 1 -12.081 19.400 -5.823 1.00 0.00 O ATOM 5 CB LEU A 1 -10.814 20.131 -8.197 1.00 0.00 C ATOM 6 CG LEU A 1 -9.320 20.454 -8.262 1.00 0.00 C ATOM 7 CD1 LEU A 1 -8.618 19.538 -9.254 1.00 0.00 C ATOM 8 CD2 LEU A 1 -9.108 21.912 -8.637 1.00 0.00 C ATOM 0 H1 LEU A 1 -11.961 18.378 -9.803 1.00 0.00 H new ATOM 0 H2 LEU A 1 -12.476 17.245 -8.648 1.00 0.00 H new ATOM 0 H3 LEU A 1 -13.096 18.825 -8.621 1.00 0.00 H new ATOM 0 HA LEU A 1 -10.276 18.039 -8.096 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -11.273 20.414 -9.144 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -11.270 20.749 -7.424 1.00 0.00 H new ATOM 0 HG LEU A 1 -8.887 20.286 -7.276 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -7.556 19.783 -9.287 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -8.742 18.501 -8.942 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -9.052 19.674 -10.245 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -8.040 22.125 -8.679 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -9.555 22.106 -9.612 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -9.577 22.552 -7.889 1.00 0.00 H new ATOM 22 N PHE A 2 -11.261 17.306 -5.905 1.00 0.00 N ATOM 23 CA PHE A 2 -11.584 17.009 -4.514 1.00 0.00 C ATOM 24 C PHE A 2 -10.924 15.707 -4.068 1.00 0.00 C ATOM 25 O PHE A 2 -10.120 15.695 -3.136 1.00 0.00 O ATOM 26 CB PHE A 2 -13.102 16.918 -4.330 1.00 0.00 C ATOM 27 CG PHE A 2 -13.521 16.545 -2.936 1.00 0.00 C ATOM 28 CD1 PHE A 2 -13.245 17.382 -1.867 1.00 0.00 C ATOM 29 CD2 PHE A 2 -14.190 15.356 -2.695 1.00 0.00 C ATOM 30 CE1 PHE A 2 -13.628 17.041 -0.584 1.00 0.00 C ATOM 31 CE2 PHE A 2 -14.576 15.008 -1.413 1.00 0.00 C ATOM 32 CZ PHE A 2 -14.295 15.852 -0.357 1.00 0.00 C ATOM 0 H PHE A 2 -10.813 16.539 -6.407 1.00 0.00 H new ATOM 0 HA PHE A 2 -11.199 17.819 -3.895 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -13.549 17.878 -4.589 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -13.500 16.182 -5.029 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -12.724 18.312 -2.039 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -14.413 14.693 -3.518 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -13.406 17.703 0.240 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -15.096 14.078 -1.238 1.00 0.00 H new ATOM 0 HZ PHE A 2 -14.596 15.583 0.645 1.00 0.00 H new ATOM 42 N ILE A 3 -11.270 14.613 -4.740 1.00 0.00 N ATOM 43 CA ILE A 3 -10.713 13.306 -4.411 1.00 0.00 C ATOM 44 C ILE A 3 -9.191 13.313 -4.516 1.00 0.00 C ATOM 45 O ILE A 3 -8.627 13.834 -5.479 1.00 0.00 O ATOM 46 CB ILE A 3 -11.281 12.206 -5.331 1.00 0.00 C ATOM 47 CG1 ILE A 3 -10.769 10.827 -4.901 1.00 0.00 C ATOM 48 CG2 ILE A 3 -10.920 12.486 -6.783 1.00 0.00 C ATOM 49 CD1 ILE A 3 -11.866 9.892 -4.445 1.00 0.00 C ATOM 0 H ILE A 3 -11.933 14.606 -5.515 1.00 0.00 H new ATOM 0 HA ILE A 3 -10.999 13.089 -3.382 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.367 12.209 -5.242 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.236 10.370 -5.735 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.049 10.951 -4.092 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.329 11.700 -7.418 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.337 13.448 -7.083 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -9.836 12.511 -6.890 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.432 8.935 -4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -12.384 10.328 -3.591 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.574 9.738 -5.259 1.00 0.00 H new ATOM 61 N ALA A 4 -8.532 12.730 -3.521 1.00 0.00 N ATOM 62 CA ALA A 4 -7.077 12.667 -3.499 1.00 0.00 C ATOM 63 C ALA A 4 -6.591 11.222 -3.532 1.00 0.00 C ATOM 64 O ALA A 4 -6.496 10.565 -2.496 1.00 0.00 O ATOM 65 CB ALA A 4 -6.535 13.380 -2.269 1.00 0.00 C ATOM 0 H ALA A 4 -8.984 12.294 -2.718 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.703 13.170 -4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.446 13.324 -2.266 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.845 14.425 -2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.925 12.902 -1.370 1.00 0.00 H new ATOM 71 N THR A 5 -6.286 10.733 -4.729 1.00 0.00 N ATOM 72 CA THR A 5 -5.810 9.365 -4.899 1.00 0.00 C ATOM 73 C THR A 5 -4.599 9.321 -5.825 1.00 0.00 C ATOM 74 O THR A 5 -4.531 10.058 -6.809 1.00 0.00 O ATOM 75 CB THR A 5 -6.927 8.481 -5.455 1.00 0.00 C ATOM 76 OG1 THR A 5 -7.443 9.021 -6.658 1.00 0.00 O ATOM 77 CG2 THR A 5 -8.085 8.307 -4.496 1.00 0.00 C ATOM 0 H THR A 5 -6.360 11.264 -5.597 1.00 0.00 H new ATOM 0 HA THR A 5 -5.509 8.986 -3.922 1.00 0.00 H new ATOM 0 HB THR A 5 -6.467 7.508 -5.625 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.155 8.440 -6.998 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.842 7.669 -4.952 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.729 7.845 -3.575 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.519 9.281 -4.269 1.00 0.00 H new ATOM 85 N LEU A 6 -3.645 8.454 -5.504 1.00 0.00 N ATOM 86 CA LEU A 6 -2.435 8.317 -6.306 1.00 0.00 C ATOM 87 C LEU A 6 -2.150 6.851 -6.617 1.00 0.00 C ATOM 88 O LEU A 6 -1.772 6.082 -5.734 1.00 0.00 O ATOM 89 CB LEU A 6 -1.243 8.941 -5.575 1.00 0.00 C ATOM 90 CG LEU A 6 -0.517 10.045 -6.343 1.00 0.00 C ATOM 91 CD1 LEU A 6 -0.088 9.551 -7.715 1.00 0.00 C ATOM 92 CD2 LEU A 6 -1.403 11.275 -6.471 1.00 0.00 C ATOM 0 H LEU A 6 -3.686 7.836 -4.694 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.590 8.843 -7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.592 9.349 -4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.528 8.153 -5.340 1.00 0.00 H new ATOM 0 HG LEU A 6 0.377 10.321 -5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.427 10.352 -8.245 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.584 8.700 -7.602 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.967 9.246 -8.283 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.871 12.051 -7.020 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.315 11.012 -7.007 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.659 11.644 -5.478 1.00 0.00 H new ATOM 104 N LYS A 7 -2.329 6.470 -7.878 1.00 0.00 N ATOM 105 CA LYS A 7 -2.088 5.095 -8.302 1.00 0.00 C ATOM 106 C LYS A 7 -0.767 4.981 -9.056 1.00 0.00 C ATOM 107 O LYS A 7 -0.417 5.853 -9.852 1.00 0.00 O ATOM 108 CB LYS A 7 -3.235 4.598 -9.184 1.00 0.00 C ATOM 109 CG LYS A 7 -3.167 3.110 -9.485 1.00 0.00 C ATOM 110 CD LYS A 7 -4.213 2.700 -10.511 1.00 0.00 C ATOM 111 CE LYS A 7 -4.317 1.187 -10.629 1.00 0.00 C ATOM 112 NZ LYS A 7 -5.681 0.695 -10.292 1.00 0.00 N ATOM 0 H LYS A 7 -2.640 7.093 -8.623 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.032 4.473 -7.408 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.183 4.818 -8.692 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.227 5.151 -10.123 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.174 2.858 -9.856 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.317 2.545 -8.565 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.182 3.111 -10.228 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.958 3.125 -11.482 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.063 0.884 -11.645 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.589 0.720 -9.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.668 0.254 -9.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.348 1.493 -10.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.982 -0.006 -10.999 1.00 0.00 H new ATOM 126 N GLY A 8 -0.037 3.900 -8.799 1.00 0.00 N ATOM 127 CA GLY A 8 1.237 3.691 -9.461 1.00 0.00 C ATOM 128 C GLY A 8 1.481 2.232 -9.798 1.00 0.00 C ATOM 129 O GLY A 8 1.024 1.340 -9.084 1.00 0.00 O ATOM 0 H GLY A 8 -0.305 3.165 -8.144 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.269 4.283 -10.376 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.041 4.052 -8.819 1.00 0.00 H new ATOM 133 N ILE A 9 2.201 1.990 -10.888 1.00 0.00 N ATOM 134 CA ILE A 9 2.502 0.630 -11.317 1.00 0.00 C ATOM 135 C ILE A 9 3.972 0.291 -11.086 1.00 0.00 C ATOM 136 O ILE A 9 4.824 0.555 -11.934 1.00 0.00 O ATOM 137 CB ILE A 9 2.163 0.424 -12.806 1.00 0.00 C ATOM 138 CG1 ILE A 9 0.752 0.935 -13.103 1.00 0.00 C ATOM 139 CG2 ILE A 9 2.290 -1.045 -13.180 1.00 0.00 C ATOM 140 CD1 ILE A 9 0.339 0.775 -14.550 1.00 0.00 C ATOM 0 H ILE A 9 2.587 2.718 -11.490 1.00 0.00 H new ATOM 0 HA ILE A 9 1.883 -0.036 -10.716 1.00 0.00 H new ATOM 0 HB ILE A 9 2.871 0.994 -13.408 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.042 0.402 -12.471 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.692 1.989 -12.832 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.047 -1.174 -14.235 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.311 -1.380 -12.999 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.602 -1.635 -12.575 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.672 1.159 -14.684 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.026 1.331 -15.188 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.365 -0.280 -14.821 1.00 0.00 H new ATOM 152 N PHE A 10 4.259 -0.297 -9.928 1.00 0.00 N ATOM 153 CA PHE A 10 5.622 -0.679 -9.574 1.00 0.00 C ATOM 154 C PHE A 10 5.928 -2.094 -10.056 1.00 0.00 C ATOM 155 O PHE A 10 5.259 -3.049 -9.660 1.00 0.00 O ATOM 156 CB PHE A 10 5.814 -0.582 -8.057 1.00 0.00 C ATOM 157 CG PHE A 10 6.166 0.801 -7.582 1.00 0.00 C ATOM 158 CD1 PHE A 10 5.489 1.908 -8.070 1.00 0.00 C ATOM 159 CD2 PHE A 10 7.173 0.994 -6.650 1.00 0.00 C ATOM 160 CE1 PHE A 10 5.811 3.180 -7.635 1.00 0.00 C ATOM 161 CE2 PHE A 10 7.497 2.264 -6.212 1.00 0.00 C ATOM 162 CZ PHE A 10 6.816 3.358 -6.705 1.00 0.00 C ATOM 0 H PHE A 10 3.563 -0.520 -9.217 1.00 0.00 H new ATOM 0 HA PHE A 10 6.314 0.006 -10.065 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.898 -0.905 -7.562 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.601 -1.273 -7.754 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.702 1.775 -8.798 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.711 0.142 -6.261 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.276 4.035 -8.023 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.283 2.400 -5.484 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.068 4.351 -6.364 1.00 0.00 H new ATOM 172 N THR A 11 6.931 -2.226 -10.924 1.00 0.00 N ATOM 173 CA THR A 11 7.301 -3.532 -11.462 1.00 0.00 C ATOM 174 C THR A 11 8.797 -3.674 -11.652 1.00 0.00 C ATOM 175 O THR A 11 9.543 -2.691 -11.668 1.00 0.00 O ATOM 176 CB THR A 11 6.582 -3.781 -12.790 1.00 0.00 C ATOM 177 OG1 THR A 11 6.566 -2.603 -13.578 1.00 0.00 O ATOM 178 CG2 THR A 11 5.149 -4.235 -12.621 1.00 0.00 C ATOM 0 H THR A 11 7.497 -1.450 -11.267 1.00 0.00 H new ATOM 0 HA THR A 11 6.991 -4.279 -10.731 1.00 0.00 H new ATOM 0 HB THR A 11 7.144 -4.578 -13.277 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.104 -2.781 -14.424 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.699 -4.393 -13.601 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.127 -5.168 -12.057 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.587 -3.472 -12.083 1.00 0.00 H new ATOM 186 N LEU A 12 9.224 -4.925 -11.788 1.00 0.00 N ATOM 187 CA LEU A 12 10.628 -5.250 -11.975 1.00 0.00 C ATOM 188 C LEU A 12 11.499 -4.467 -11.001 1.00 0.00 C ATOM 189 O LEU A 12 11.007 -3.891 -10.033 1.00 0.00 O ATOM 190 CB LEU A 12 11.065 -4.964 -13.420 1.00 0.00 C ATOM 191 CG LEU A 12 9.928 -4.749 -14.427 1.00 0.00 C ATOM 192 CD1 LEU A 12 9.611 -3.267 -14.565 1.00 0.00 C ATOM 193 CD2 LEU A 12 10.294 -5.347 -15.778 1.00 0.00 C ATOM 0 H LEU A 12 8.607 -5.737 -11.771 1.00 0.00 H new ATOM 0 HA LEU A 12 10.755 -6.314 -11.776 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.699 -4.077 -13.420 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.680 -5.795 -13.766 1.00 0.00 H new ATOM 0 HG LEU A 12 9.037 -5.257 -14.056 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.802 -3.133 -15.283 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.306 -2.868 -13.597 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.497 -2.736 -14.913 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.477 -5.186 -16.481 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.197 -4.867 -16.156 1.00 0.00 H new ATOM 0 HD23 LEU A 12 10.471 -6.417 -15.666 1.00 0.00 H new ATOM 205 N LYS A 13 12.787 -4.449 -11.277 1.00 0.00 N ATOM 206 CA LYS A 13 13.747 -3.733 -10.444 1.00 0.00 C ATOM 207 C LYS A 13 13.604 -2.225 -10.635 1.00 0.00 C ATOM 208 O LYS A 13 14.047 -1.437 -9.801 1.00 0.00 O ATOM 209 CB LYS A 13 15.173 -4.174 -10.775 1.00 0.00 C ATOM 210 CG LYS A 13 15.365 -5.681 -10.741 1.00 0.00 C ATOM 211 CD LYS A 13 15.071 -6.250 -9.363 1.00 0.00 C ATOM 212 CE LYS A 13 14.856 -7.753 -9.415 1.00 0.00 C ATOM 213 NZ LYS A 13 15.957 -8.448 -10.139 1.00 0.00 N ATOM 0 H LYS A 13 13.201 -4.925 -12.078 1.00 0.00 H new ATOM 0 HA LYS A 13 13.540 -3.971 -9.401 1.00 0.00 H new ATOM 0 HB2 LYS A 13 15.438 -3.804 -11.765 1.00 0.00 H new ATOM 0 HB3 LYS A 13 15.861 -3.712 -10.067 1.00 0.00 H new ATOM 0 HG2 LYS A 13 14.710 -6.149 -11.476 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.389 -5.925 -11.025 1.00 0.00 H new ATOM 0 HD2 LYS A 13 15.898 -6.023 -8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.184 -5.769 -8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.785 -8.145 -8.400 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.907 -7.967 -9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.799 -9.475 -10.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.976 -8.130 -11.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.866 -8.224 -9.686 1.00 0.00 H new ATOM 227 N ASP A 14 12.963 -1.834 -11.736 1.00 0.00 N ATOM 228 CA ASP A 14 12.737 -0.426 -12.035 1.00 0.00 C ATOM 229 C ASP A 14 11.421 0.051 -11.420 1.00 0.00 C ATOM 230 O ASP A 14 10.896 1.103 -11.785 1.00 0.00 O ATOM 231 CB ASP A 14 12.716 -0.211 -13.549 1.00 0.00 C ATOM 232 CG ASP A 14 12.879 1.247 -13.929 1.00 0.00 C ATOM 233 OD1 ASP A 14 13.773 1.912 -13.366 1.00 0.00 O ATOM 234 OD2 ASP A 14 12.113 1.725 -14.793 1.00 0.00 O ATOM 0 H ASP A 14 12.591 -2.477 -12.435 1.00 0.00 H new ATOM 0 HA ASP A 14 13.551 0.155 -11.602 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.515 -0.794 -14.007 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.776 -0.586 -13.953 1.00 0.00 H new ATOM 239 N LEU A 15 10.892 -0.743 -10.490 1.00 0.00 N ATOM 240 CA LEU A 15 9.637 -0.430 -9.818 1.00 0.00 C ATOM 241 C LEU A 15 9.673 0.908 -9.065 1.00 0.00 C ATOM 242 O LEU A 15 8.638 1.559 -8.936 1.00 0.00 O ATOM 243 CB LEU A 15 9.261 -1.566 -8.860 1.00 0.00 C ATOM 244 CG LEU A 15 10.065 -1.632 -7.556 1.00 0.00 C ATOM 245 CD1 LEU A 15 9.170 -2.036 -6.397 1.00 0.00 C ATOM 246 CD2 LEU A 15 11.228 -2.606 -7.688 1.00 0.00 C ATOM 0 H LEU A 15 11.321 -1.617 -10.184 1.00 0.00 H new ATOM 0 HA LEU A 15 8.879 -0.330 -10.594 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.205 -1.470 -8.609 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.379 -2.513 -9.386 1.00 0.00 H new ATOM 0 HG LEU A 15 10.468 -0.639 -7.356 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.758 -2.077 -5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.371 -1.304 -6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.738 -3.017 -6.596 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.785 -2.637 -6.751 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.845 -3.601 -7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.888 -2.278 -8.491 1.00 0.00 H new ATOM 258 N PRO A 16 10.842 1.339 -8.536 1.00 0.00 N ATOM 259 CA PRO A 16 10.950 2.605 -7.787 1.00 0.00 C ATOM 260 C PRO A 16 10.606 3.829 -8.634 1.00 0.00 C ATOM 261 O PRO A 16 11.461 4.685 -8.885 1.00 0.00 O ATOM 262 CB PRO A 16 12.422 2.648 -7.360 1.00 0.00 C ATOM 263 CG PRO A 16 12.887 1.238 -7.446 1.00 0.00 C ATOM 264 CD PRO A 16 12.139 0.642 -8.600 1.00 0.00 C ATOM 0 HA PRO A 16 10.247 2.636 -6.954 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.004 3.297 -8.014 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.528 3.038 -6.348 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.964 1.189 -7.608 1.00 0.00 H new ATOM 0 HG3 PRO A 16 12.679 0.699 -6.522 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.648 0.819 -9.548 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.025 -0.437 -8.496 1.00 0.00 H new ATOM 272 N GLU A 17 9.344 3.905 -9.067 1.00 0.00 N ATOM 273 CA GLU A 17 8.849 5.012 -9.891 1.00 0.00 C ATOM 274 C GLU A 17 9.730 6.250 -9.770 1.00 0.00 C ATOM 275 O GLU A 17 9.597 7.032 -8.828 1.00 0.00 O ATOM 276 CB GLU A 17 7.409 5.357 -9.507 1.00 0.00 C ATOM 277 CG GLU A 17 6.370 4.702 -10.400 1.00 0.00 C ATOM 278 CD GLU A 17 4.973 5.242 -10.165 1.00 0.00 C ATOM 279 OE1 GLU A 17 4.840 6.463 -9.935 1.00 0.00 O ATOM 280 OE2 GLU A 17 4.013 4.446 -10.210 1.00 0.00 O ATOM 0 H GLU A 17 8.637 3.201 -8.856 1.00 0.00 H new ATOM 0 HA GLU A 17 8.879 4.683 -10.930 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.234 5.052 -8.475 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.280 6.439 -9.546 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.644 4.857 -11.444 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.373 3.626 -10.226 1.00 0.00 H new ATOM 287 N GLU A 18 10.634 6.409 -10.733 1.00 0.00 N ATOM 288 CA GLU A 18 11.555 7.540 -10.754 1.00 0.00 C ATOM 289 C GLU A 18 12.723 7.315 -9.807 1.00 0.00 C ATOM 290 O GLU A 18 13.877 7.253 -10.228 1.00 0.00 O ATOM 291 CB GLU A 18 10.831 8.841 -10.393 1.00 0.00 C ATOM 292 CG GLU A 18 11.391 10.066 -11.099 1.00 0.00 C ATOM 293 CD GLU A 18 11.496 11.270 -10.183 1.00 0.00 C ATOM 294 OE1 GLU A 18 12.316 11.229 -9.241 1.00 0.00 O ATOM 295 OE2 GLU A 18 10.760 12.254 -10.406 1.00 0.00 O ATOM 0 H GLU A 18 10.748 5.763 -11.514 1.00 0.00 H new ATOM 0 HA GLU A 18 11.945 7.626 -11.768 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.775 8.740 -10.642 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.892 8.994 -9.315 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.377 9.831 -11.499 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.754 10.314 -11.948 1.00 0.00 H new ATOM 302 N PHE A 19 12.408 7.197 -8.531 1.00 0.00 N ATOM 303 CA PHE A 19 13.424 6.982 -7.504 1.00 0.00 C ATOM 304 C PHE A 19 12.794 6.670 -6.146 1.00 0.00 C ATOM 305 O PHE A 19 13.286 7.119 -5.112 1.00 0.00 O ATOM 306 CB PHE A 19 14.324 8.216 -7.387 1.00 0.00 C ATOM 307 CG PHE A 19 15.523 8.176 -8.290 1.00 0.00 C ATOM 308 CD1 PHE A 19 16.359 7.072 -8.306 1.00 0.00 C ATOM 309 CD2 PHE A 19 15.815 9.245 -9.125 1.00 0.00 C ATOM 310 CE1 PHE A 19 17.464 7.033 -9.137 1.00 0.00 C ATOM 311 CE2 PHE A 19 16.919 9.211 -9.956 1.00 0.00 C ATOM 312 CZ PHE A 19 17.743 8.103 -9.962 1.00 0.00 C ATOM 0 H PHE A 19 11.454 7.246 -8.174 1.00 0.00 H new ATOM 0 HA PHE A 19 14.022 6.121 -7.804 1.00 0.00 H new ATOM 0 HB2 PHE A 19 13.737 9.106 -7.616 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.661 8.313 -6.355 1.00 0.00 H new ATOM 0 HD1 PHE A 19 16.146 6.232 -7.662 1.00 0.00 H new ATOM 0 HD2 PHE A 19 15.173 10.113 -9.126 1.00 0.00 H new ATOM 0 HE1 PHE A 19 18.108 6.166 -9.140 1.00 0.00 H new ATOM 0 HE2 PHE A 19 17.137 10.050 -10.600 1.00 0.00 H new ATOM 0 HZ PHE A 19 18.605 8.074 -10.612 1.00 0.00 H new ATOM 322 N ARG A 20 11.704 5.908 -6.148 1.00 0.00 N ATOM 323 CA ARG A 20 11.024 5.561 -4.901 1.00 0.00 C ATOM 324 C ARG A 20 11.136 4.066 -4.600 1.00 0.00 C ATOM 325 O ARG A 20 10.181 3.315 -4.793 1.00 0.00 O ATOM 326 CB ARG A 20 9.552 5.972 -4.969 1.00 0.00 C ATOM 327 CG ARG A 20 9.342 7.420 -5.380 1.00 0.00 C ATOM 328 CD ARG A 20 9.868 8.380 -4.325 1.00 0.00 C ATOM 329 NE ARG A 20 8.861 8.688 -3.311 1.00 0.00 N ATOM 330 CZ ARG A 20 8.970 9.684 -2.436 1.00 0.00 C ATOM 331 NH1 ARG A 20 10.041 10.471 -2.444 1.00 0.00 N ATOM 332 NH2 ARG A 20 8.008 9.894 -1.548 1.00 0.00 N ATOM 0 H ARG A 20 11.275 5.522 -6.989 1.00 0.00 H new ATOM 0 HA ARG A 20 11.513 6.105 -4.093 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.035 5.324 -5.677 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.093 5.810 -3.994 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.847 7.607 -6.328 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.280 7.603 -5.543 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.744 7.945 -3.845 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.193 9.303 -4.805 1.00 0.00 H new ATOM 0 HE ARG A 20 8.025 8.105 -3.272 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.785 10.313 -3.124 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.119 11.233 -1.771 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.185 9.292 -1.536 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.091 10.658 -0.877 1.00 0.00 H new ATOM 346 N PRO A 21 12.309 3.614 -4.120 1.00 0.00 N ATOM 347 CA PRO A 21 12.537 2.207 -3.792 1.00 0.00 C ATOM 348 C PRO A 21 12.006 1.839 -2.409 1.00 0.00 C ATOM 349 O PRO A 21 12.745 1.336 -1.562 1.00 0.00 O ATOM 350 CB PRO A 21 14.058 2.097 -3.831 1.00 0.00 C ATOM 351 CG PRO A 21 14.539 3.438 -3.393 1.00 0.00 C ATOM 352 CD PRO A 21 13.506 4.437 -3.857 1.00 0.00 C ATOM 0 HA PRO A 21 12.023 1.531 -4.476 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.416 1.310 -3.167 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.413 1.855 -4.833 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.654 3.474 -2.310 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.515 3.660 -3.825 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.312 5.193 -3.096 1.00 0.00 H new ATOM 0 HD3 PRO A 21 13.834 4.963 -4.753 1.00 0.00 H new ATOM 360 N PHE A 22 10.721 2.096 -2.186 1.00 0.00 N ATOM 361 CA PHE A 22 10.090 1.798 -0.904 1.00 0.00 C ATOM 362 C PHE A 22 9.866 0.298 -0.739 1.00 0.00 C ATOM 363 O PHE A 22 10.501 -0.346 0.095 1.00 0.00 O ATOM 364 CB PHE A 22 8.757 2.540 -0.785 1.00 0.00 C ATOM 365 CG PHE A 22 8.116 2.413 0.569 1.00 0.00 C ATOM 366 CD1 PHE A 22 8.486 3.252 1.606 1.00 0.00 C ATOM 367 CD2 PHE A 22 7.142 1.455 0.800 1.00 0.00 C ATOM 368 CE1 PHE A 22 7.895 3.139 2.852 1.00 0.00 C ATOM 369 CE2 PHE A 22 6.549 1.336 2.043 1.00 0.00 C ATOM 370 CZ PHE A 22 6.926 2.180 3.069 1.00 0.00 C ATOM 0 H PHE A 22 10.095 2.510 -2.877 1.00 0.00 H new ATOM 0 HA PHE A 22 10.760 2.134 -0.112 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.918 3.596 -1.004 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.070 2.159 -1.540 1.00 0.00 H new ATOM 0 HD1 PHE A 22 9.244 4.003 1.441 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.843 0.794 0.000 1.00 0.00 H new ATOM 0 HE1 PHE A 22 8.191 3.800 3.653 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.792 0.584 2.211 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.463 2.090 4.041 1.00 0.00 H new ATOM 380 N VAL A 23 8.955 -0.251 -1.537 1.00 0.00 N ATOM 381 CA VAL A 23 8.641 -1.676 -1.480 1.00 0.00 C ATOM 382 C VAL A 23 9.851 -2.537 -1.833 1.00 0.00 C ATOM 383 O VAL A 23 9.848 -3.743 -1.592 1.00 0.00 O ATOM 384 CB VAL A 23 7.479 -2.036 -2.426 1.00 0.00 C ATOM 385 CG1 VAL A 23 6.149 -1.613 -1.822 1.00 0.00 C ATOM 386 CG2 VAL A 23 7.680 -1.397 -3.792 1.00 0.00 C ATOM 0 H VAL A 23 8.420 0.270 -2.232 1.00 0.00 H new ATOM 0 HA VAL A 23 8.346 -1.883 -0.451 1.00 0.00 H new ATOM 0 HB VAL A 23 7.466 -3.118 -2.557 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.340 -1.875 -2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.002 -2.125 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.150 -0.535 -1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.849 -1.664 -4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.723 -0.313 -3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.613 -1.756 -4.228 1.00 0.00 H new ATOM 396 N ASP A 24 10.886 -1.918 -2.401 1.00 0.00 N ATOM 397 CA ASP A 24 12.098 -2.639 -2.777 1.00 0.00 C ATOM 398 C ASP A 24 12.557 -3.561 -1.650 1.00 0.00 C ATOM 399 O ASP A 24 13.156 -4.608 -1.895 1.00 0.00 O ATOM 400 CB ASP A 24 13.214 -1.654 -3.129 1.00 0.00 C ATOM 401 CG ASP A 24 14.324 -2.298 -3.936 1.00 0.00 C ATOM 402 OD1 ASP A 24 14.426 -3.543 -3.919 1.00 0.00 O ATOM 403 OD2 ASP A 24 15.093 -1.557 -4.585 1.00 0.00 O ATOM 0 H ASP A 24 10.908 -0.920 -2.610 1.00 0.00 H new ATOM 0 HA ASP A 24 11.870 -3.249 -3.651 1.00 0.00 H new ATOM 0 HB2 ASP A 24 12.795 -0.822 -3.694 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.630 -1.239 -2.211 1.00 0.00 H new ATOM 408 N TYR A 25 12.267 -3.164 -0.414 1.00 0.00 N ATOM 409 CA TYR A 25 12.647 -3.954 0.751 1.00 0.00 C ATOM 410 C TYR A 25 11.987 -5.330 0.712 1.00 0.00 C ATOM 411 O TYR A 25 12.576 -6.322 1.140 1.00 0.00 O ATOM 412 CB TYR A 25 12.272 -3.217 2.044 1.00 0.00 C ATOM 413 CG TYR A 25 10.813 -3.346 2.435 1.00 0.00 C ATOM 414 CD1 TYR A 25 9.803 -2.885 1.598 1.00 0.00 C ATOM 415 CD2 TYR A 25 10.448 -3.930 3.641 1.00 0.00 C ATOM 416 CE1 TYR A 25 8.472 -3.002 1.954 1.00 0.00 C ATOM 417 CE2 TYR A 25 9.120 -4.051 4.004 1.00 0.00 C ATOM 418 CZ TYR A 25 8.136 -3.586 3.157 1.00 0.00 C ATOM 419 OH TYR A 25 6.813 -3.705 3.514 1.00 0.00 O ATOM 0 H TYR A 25 11.770 -2.300 -0.194 1.00 0.00 H new ATOM 0 HA TYR A 25 13.728 -4.093 0.730 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.889 -3.598 2.858 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.513 -2.160 1.929 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.062 -2.428 0.654 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.215 -4.296 4.307 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.699 -2.638 1.293 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.854 -4.507 4.946 1.00 0.00 H new ATOM 0 HH TYR A 25 6.748 -4.139 4.390 1.00 0.00 H new ATOM 429 N LYS A 26 10.764 -5.382 0.192 1.00 0.00 N ATOM 430 CA LYS A 26 10.034 -6.641 0.095 1.00 0.00 C ATOM 431 C LYS A 26 10.712 -7.578 -0.897 1.00 0.00 C ATOM 432 O LYS A 26 10.730 -8.794 -0.705 1.00 0.00 O ATOM 433 CB LYS A 26 8.584 -6.386 -0.324 1.00 0.00 C ATOM 434 CG LYS A 26 7.564 -7.068 0.571 1.00 0.00 C ATOM 435 CD LYS A 26 6.395 -7.616 -0.232 1.00 0.00 C ATOM 436 CE LYS A 26 5.316 -6.564 -0.434 1.00 0.00 C ATOM 437 NZ LYS A 26 4.800 -6.043 0.861 1.00 0.00 N ATOM 0 H LYS A 26 10.260 -4.571 -0.167 1.00 0.00 H new ATOM 0 HA LYS A 26 10.036 -7.115 1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.397 -5.312 -0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.444 -6.731 -1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.044 -7.880 1.118 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.197 -6.358 1.312 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.750 -7.965 -1.202 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.972 -8.479 0.282 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.718 -5.740 -1.023 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.494 -6.993 -1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.767 -5.934 0.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.036 -6.710 1.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.235 -5.120 1.062 1.00 0.00 H new ATOM 451 N ALA A 27 11.274 -7.002 -1.953 1.00 0.00 N ATOM 452 CA ALA A 27 11.962 -7.782 -2.972 1.00 0.00 C ATOM 453 C ALA A 27 13.275 -8.340 -2.431 1.00 0.00 C ATOM 454 O ALA A 27 13.762 -9.372 -2.897 1.00 0.00 O ATOM 455 CB ALA A 27 12.213 -6.934 -4.209 1.00 0.00 C ATOM 0 H ALA A 27 11.266 -5.997 -2.125 1.00 0.00 H new ATOM 0 HA ALA A 27 11.324 -8.621 -3.250 1.00 0.00 H new ATOM 0 HB1 ALA A 27 12.728 -7.531 -4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.261 -6.586 -4.611 1.00 0.00 H new ATOM 0 HB3 ALA A 27 12.830 -6.076 -3.943 1.00 0.00 H new ATOM 461 N GLY A 28 13.842 -7.653 -1.443 1.00 0.00 N ATOM 462 CA GLY A 28 15.091 -8.097 -0.852 1.00 0.00 C ATOM 463 C GLY A 28 14.952 -8.430 0.623 1.00 0.00 C ATOM 464 O GLY A 28 15.946 -8.494 1.345 1.00 0.00 O ATOM 0 H GLY A 28 13.458 -6.797 -1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.450 -8.976 -1.387 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.844 -7.319 -0.976 1.00 0.00 H new ATOM 468 N LEU A 29 13.716 -8.639 1.072 1.00 0.00 N ATOM 469 CA LEU A 29 13.457 -8.964 2.472 1.00 0.00 C ATOM 470 C LEU A 29 14.212 -10.220 2.903 1.00 0.00 C ATOM 471 O LEU A 29 14.440 -10.441 4.092 1.00 0.00 O ATOM 472 CB LEU A 29 11.945 -9.118 2.715 1.00 0.00 C ATOM 473 CG LEU A 29 11.351 -10.521 2.504 1.00 0.00 C ATOM 474 CD1 LEU A 29 11.894 -11.168 1.238 1.00 0.00 C ATOM 475 CD2 LEU A 29 11.615 -11.402 3.719 1.00 0.00 C ATOM 0 H LEU A 29 12.881 -8.589 0.488 1.00 0.00 H new ATOM 0 HA LEU A 29 13.823 -8.139 3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.732 -8.808 3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.422 -8.424 2.056 1.00 0.00 H new ATOM 0 HG LEU A 29 10.273 -10.414 2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 29 11.454 -12.158 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.639 -10.551 0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.978 -11.259 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 29 11.187 -12.391 3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 29 12.690 -11.493 3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.157 -10.953 4.600 1.00 0.00 H new ATOM 487 N GLU A 30 14.603 -11.031 1.929 1.00 0.00 N ATOM 488 CA GLU A 30 15.337 -12.264 2.199 1.00 0.00 C ATOM 489 C GLU A 30 15.663 -12.994 0.899 1.00 0.00 C ATOM 490 O GLU A 30 15.487 -14.207 0.794 1.00 0.00 O ATOM 491 CB GLU A 30 14.529 -13.178 3.123 1.00 0.00 C ATOM 492 CG GLU A 30 15.388 -14.119 3.953 1.00 0.00 C ATOM 493 CD GLU A 30 14.625 -14.741 5.106 1.00 0.00 C ATOM 494 OE1 GLU A 30 13.855 -14.015 5.769 1.00 0.00 O ATOM 495 OE2 GLU A 30 14.798 -15.954 5.347 1.00 0.00 O ATOM 0 H GLU A 30 14.424 -10.858 0.940 1.00 0.00 H new ATOM 0 HA GLU A 30 16.271 -12.000 2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.927 -12.563 3.793 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.836 -13.767 2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.778 -14.910 3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 30 16.246 -13.572 4.343 1.00 0.00 H new ATOM 502 N LYS A 31 16.139 -12.242 -0.087 1.00 0.00 N ATOM 503 CA LYS A 31 16.490 -12.811 -1.383 1.00 0.00 C ATOM 504 C LYS A 31 15.268 -13.434 -2.049 1.00 0.00 C ATOM 505 O LYS A 31 15.327 -14.550 -2.565 1.00 0.00 O ATOM 506 CB LYS A 31 17.595 -13.858 -1.224 1.00 0.00 C ATOM 507 CG LYS A 31 18.993 -13.263 -1.173 1.00 0.00 C ATOM 508 CD LYS A 31 19.490 -13.125 0.257 1.00 0.00 C ATOM 509 CE LYS A 31 20.145 -11.773 0.492 1.00 0.00 C ATOM 510 NZ LYS A 31 19.138 -10.683 0.622 1.00 0.00 N ATOM 0 H LYS A 31 16.291 -11.236 -0.014 1.00 0.00 H new ATOM 0 HA LYS A 31 16.857 -12.006 -2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 31 17.417 -14.426 -0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 31 17.539 -14.563 -2.054 1.00 0.00 H new ATOM 0 HG2 LYS A 31 19.679 -13.894 -1.738 1.00 0.00 H new ATOM 0 HG3 LYS A 31 18.991 -12.285 -1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 31 18.656 -13.251 0.947 1.00 0.00 H new ATOM 0 HD3 LYS A 31 20.205 -13.919 0.473 1.00 0.00 H new ATOM 0 HE2 LYS A 31 20.752 -11.816 1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 31 20.819 -11.548 -0.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 19.625 -9.778 0.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 18.575 -10.625 -0.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 18.510 -10.885 1.426 1.00 0.00 H new ATOM 524 N LYS A 32 14.159 -12.702 -2.032 1.00 0.00 N ATOM 525 CA LYS A 32 12.917 -13.176 -2.633 1.00 0.00 C ATOM 526 C LYS A 32 13.039 -13.239 -4.153 1.00 0.00 C ATOM 527 O LYS A 32 14.135 -13.126 -4.702 1.00 0.00 O ATOM 528 CB LYS A 32 11.756 -12.261 -2.238 1.00 0.00 C ATOM 529 CG LYS A 32 10.472 -13.011 -1.918 1.00 0.00 C ATOM 530 CD LYS A 32 9.244 -12.220 -2.339 1.00 0.00 C ATOM 531 CE LYS A 32 8.628 -11.482 -1.162 1.00 0.00 C ATOM 532 NZ LYS A 32 7.345 -10.822 -1.528 1.00 0.00 N ATOM 0 H LYS A 32 14.095 -11.777 -1.608 1.00 0.00 H new ATOM 0 HA LYS A 32 12.720 -14.182 -2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.049 -11.671 -1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.565 -11.560 -3.050 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.477 -13.975 -2.426 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.426 -13.215 -0.848 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.518 -11.505 -3.115 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.506 -12.895 -2.773 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.455 -12.183 -0.345 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.330 -10.733 -0.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.958 -10.330 -0.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.513 -10.135 -2.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.666 -11.540 -1.853 1.00 0.00 H new ATOM 546 N LYS A 33 11.908 -13.421 -4.827 1.00 0.00 N ATOM 547 CA LYS A 33 11.891 -13.498 -6.285 1.00 0.00 C ATOM 548 C LYS A 33 12.445 -12.217 -6.903 1.00 0.00 C ATOM 549 O LYS A 33 12.003 -11.116 -6.574 1.00 0.00 O ATOM 550 CB LYS A 33 10.468 -13.748 -6.787 1.00 0.00 C ATOM 551 CG LYS A 33 10.218 -15.187 -7.211 1.00 0.00 C ATOM 552 CD LYS A 33 9.136 -15.276 -8.274 1.00 0.00 C ATOM 553 CE LYS A 33 7.794 -14.792 -7.747 1.00 0.00 C ATOM 554 NZ LYS A 33 7.427 -15.456 -6.466 1.00 0.00 N ATOM 0 H LYS A 33 10.992 -13.518 -4.388 1.00 0.00 H new ATOM 0 HA LYS A 33 12.526 -14.330 -6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.762 -13.481 -6.001 1.00 0.00 H new ATOM 0 HB3 LYS A 33 10.268 -13.089 -7.632 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.142 -15.620 -7.594 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.925 -15.777 -6.343 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.425 -14.679 -9.139 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.044 -16.307 -8.615 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.830 -13.713 -7.599 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.021 -14.986 -8.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.417 -15.300 -6.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.612 -16.477 -6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.995 -15.055 -5.692 1.00 0.00 H new ATOM 568 N LEU A 34 13.414 -12.368 -7.800 1.00 0.00 N ATOM 569 CA LEU A 34 14.028 -11.224 -8.463 1.00 0.00 C ATOM 570 C LEU A 34 14.390 -11.560 -9.908 1.00 0.00 C ATOM 571 O LEU A 34 15.535 -11.392 -10.328 1.00 0.00 O ATOM 572 CB LEU A 34 15.280 -10.779 -7.702 1.00 0.00 C ATOM 573 CG LEU A 34 15.059 -10.446 -6.225 1.00 0.00 C ATOM 574 CD1 LEU A 34 16.377 -10.482 -5.468 1.00 0.00 C ATOM 575 CD2 LEU A 34 14.395 -9.086 -6.082 1.00 0.00 C ATOM 0 H LEU A 34 13.791 -13.272 -8.084 1.00 0.00 H new ATOM 0 HA LEU A 34 13.305 -10.409 -8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 34 16.028 -11.568 -7.772 1.00 0.00 H new ATOM 0 HB3 LEU A 34 15.695 -9.901 -8.198 1.00 0.00 H new ATOM 0 HG LEU A 34 14.398 -11.198 -5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 34 16.201 -10.243 -4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 34 16.814 -11.478 -5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 34 17.063 -9.751 -5.897 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.245 -8.864 -5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.032 -8.321 -6.527 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.431 -9.096 -6.591 1.00 0.00 H new ATOM 587 N SER A 35 13.406 -12.036 -10.664 1.00 0.00 N ATOM 588 CA SER A 35 13.623 -12.396 -12.060 1.00 0.00 C ATOM 589 C SER A 35 13.129 -11.294 -12.994 1.00 0.00 C ATOM 590 O SER A 35 12.548 -11.570 -14.043 1.00 0.00 O ATOM 591 CB SER A 35 12.912 -13.710 -12.385 1.00 0.00 C ATOM 592 OG SER A 35 13.003 -14.621 -11.303 1.00 0.00 O ATOM 0 H SER A 35 12.452 -12.181 -10.334 1.00 0.00 H new ATOM 0 HA SER A 35 14.695 -12.521 -12.212 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.864 -13.514 -12.612 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.353 -14.155 -13.277 1.00 0.00 H new ATOM 0 HG SER A 35 12.539 -15.452 -11.535 1.00 0.00 H new ATOM 598 N ASP A 36 13.362 -10.043 -12.605 1.00 0.00 N ATOM 599 CA ASP A 36 12.938 -8.901 -13.410 1.00 0.00 C ATOM 600 C ASP A 36 11.434 -8.945 -13.673 1.00 0.00 C ATOM 601 O ASP A 36 10.944 -8.346 -14.630 1.00 0.00 O ATOM 602 CB ASP A 36 13.701 -8.878 -14.738 1.00 0.00 C ATOM 603 CG ASP A 36 14.603 -7.666 -14.866 1.00 0.00 C ATOM 604 OD1 ASP A 36 15.208 -7.265 -13.849 1.00 0.00 O ATOM 605 OD2 ASP A 36 14.705 -7.117 -15.984 1.00 0.00 O ATOM 0 H ASP A 36 13.841 -9.795 -11.739 1.00 0.00 H new ATOM 0 HA ASP A 36 13.162 -7.992 -12.853 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.300 -9.784 -14.825 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.989 -8.886 -15.563 1.00 0.00 H new ATOM 610 N ASP A 37 10.705 -9.656 -12.816 1.00 0.00 N ATOM 611 CA ASP A 37 9.259 -9.773 -12.956 1.00 0.00 C ATOM 612 C ASP A 37 8.556 -9.439 -11.643 1.00 0.00 C ATOM 613 O ASP A 37 7.436 -9.889 -11.396 1.00 0.00 O ATOM 614 CB ASP A 37 8.881 -11.185 -13.406 1.00 0.00 C ATOM 615 CG ASP A 37 8.810 -11.312 -14.916 1.00 0.00 C ATOM 616 OD1 ASP A 37 9.364 -10.434 -15.612 1.00 0.00 O ATOM 617 OD2 ASP A 37 8.203 -12.288 -15.402 1.00 0.00 O ATOM 0 H ASP A 37 11.093 -10.159 -12.018 1.00 0.00 H new ATOM 0 HA ASP A 37 8.934 -9.059 -13.713 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.612 -11.895 -13.019 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.916 -11.454 -12.976 1.00 0.00 H new ATOM 622 N ASP A 38 9.217 -8.646 -10.807 1.00 0.00 N ATOM 623 CA ASP A 38 8.654 -8.250 -9.522 1.00 0.00 C ATOM 624 C ASP A 38 7.597 -7.167 -9.711 1.00 0.00 C ATOM 625 O ASP A 38 7.895 -5.974 -9.640 1.00 0.00 O ATOM 626 CB ASP A 38 9.761 -7.750 -8.590 1.00 0.00 C ATOM 627 CG ASP A 38 9.657 -8.347 -7.200 1.00 0.00 C ATOM 628 OD1 ASP A 38 9.359 -9.555 -7.093 1.00 0.00 O ATOM 629 OD2 ASP A 38 9.876 -7.606 -6.218 1.00 0.00 O ATOM 0 H ASP A 38 10.144 -8.265 -10.997 1.00 0.00 H new ATOM 0 HA ASP A 38 8.180 -9.121 -9.070 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.732 -7.998 -9.018 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.711 -6.663 -8.521 1.00 0.00 H new ATOM 634 N GLU A 39 6.361 -7.590 -9.959 1.00 0.00 N ATOM 635 CA GLU A 39 5.261 -6.656 -10.168 1.00 0.00 C ATOM 636 C GLU A 39 4.452 -6.458 -8.891 1.00 0.00 C ATOM 637 O GLU A 39 3.972 -7.420 -8.290 1.00 0.00 O ATOM 638 CB GLU A 39 4.348 -7.155 -11.290 1.00 0.00 C ATOM 639 CG GLU A 39 3.999 -8.630 -11.181 1.00 0.00 C ATOM 640 CD GLU A 39 2.924 -9.048 -12.164 1.00 0.00 C ATOM 641 OE1 GLU A 39 1.822 -8.463 -12.124 1.00 0.00 O ATOM 642 OE2 GLU A 39 3.185 -9.961 -12.976 1.00 0.00 O ATOM 0 H GLU A 39 6.097 -8.573 -10.020 1.00 0.00 H new ATOM 0 HA GLU A 39 5.689 -5.695 -10.452 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.428 -6.571 -11.284 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.834 -6.975 -12.249 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.895 -9.226 -11.354 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.663 -8.846 -10.167 1.00 0.00 H new ATOM 649 N ILE A 40 4.301 -5.202 -8.486 1.00 0.00 N ATOM 650 CA ILE A 40 3.547 -4.867 -7.284 1.00 0.00 C ATOM 651 C ILE A 40 2.766 -3.570 -7.477 1.00 0.00 C ATOM 652 O ILE A 40 3.321 -2.558 -7.904 1.00 0.00 O ATOM 653 CB ILE A 40 4.471 -4.719 -6.061 1.00 0.00 C ATOM 654 CG1 ILE A 40 5.421 -5.914 -5.965 1.00 0.00 C ATOM 655 CG2 ILE A 40 3.648 -4.586 -4.789 1.00 0.00 C ATOM 656 CD1 ILE A 40 6.733 -5.701 -6.690 1.00 0.00 C ATOM 0 H ILE A 40 4.692 -4.397 -8.974 1.00 0.00 H new ATOM 0 HA ILE A 40 2.853 -5.688 -7.104 1.00 0.00 H new ATOM 0 HB ILE A 40 5.067 -3.814 -6.181 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.625 -6.123 -4.915 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.927 -6.795 -6.375 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.315 -4.482 -3.933 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.009 -3.706 -4.860 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.030 -5.474 -4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.357 -6.588 -6.580 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.539 -5.522 -7.748 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.248 -4.840 -6.265 1.00 0.00 H new ATOM 668 N ALA A 41 1.476 -3.609 -7.160 1.00 0.00 N ATOM 669 CA ALA A 41 0.621 -2.438 -7.299 1.00 0.00 C ATOM 670 C ALA A 41 0.582 -1.631 -6.007 1.00 0.00 C ATOM 671 O ALA A 41 0.243 -2.156 -4.946 1.00 0.00 O ATOM 672 CB ALA A 41 -0.784 -2.855 -7.706 1.00 0.00 C ATOM 0 H ALA A 41 1.001 -4.439 -6.805 1.00 0.00 H new ATOM 0 HA ALA A 41 1.040 -1.804 -8.080 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.412 -1.970 -7.806 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.745 -3.382 -8.659 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.203 -3.513 -6.945 1.00 0.00 H new ATOM 678 N ILE A 42 0.930 -0.352 -6.103 1.00 0.00 N ATOM 679 CA ILE A 42 0.935 0.528 -4.941 1.00 0.00 C ATOM 680 C ILE A 42 -0.041 1.685 -5.125 1.00 0.00 C ATOM 681 O ILE A 42 0.080 2.467 -6.067 1.00 0.00 O ATOM 682 CB ILE A 42 2.342 1.096 -4.673 1.00 0.00 C ATOM 683 CG1 ILE A 42 3.384 -0.024 -4.700 1.00 0.00 C ATOM 684 CG2 ILE A 42 2.374 1.824 -3.337 1.00 0.00 C ATOM 685 CD1 ILE A 42 4.807 0.467 -4.552 1.00 0.00 C ATOM 0 H ILE A 42 1.212 0.098 -6.974 1.00 0.00 H new ATOM 0 HA ILE A 42 0.625 -0.074 -4.086 1.00 0.00 H new ATOM 0 HB ILE A 42 2.584 1.810 -5.460 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.167 -0.730 -3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.293 -0.570 -5.639 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.375 2.219 -3.162 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.657 2.645 -3.353 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.113 1.130 -2.538 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.490 -0.382 -4.580 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.043 1.150 -5.368 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.915 0.988 -3.601 1.00 0.00 H new ATOM 697 N ILE A 43 -1.008 1.784 -4.220 1.00 0.00 N ATOM 698 CA ILE A 43 -2.006 2.844 -4.284 1.00 0.00 C ATOM 699 C ILE A 43 -2.098 3.595 -2.961 1.00 0.00 C ATOM 700 O ILE A 43 -2.273 2.990 -1.904 1.00 0.00 O ATOM 701 CB ILE A 43 -3.397 2.285 -4.640 1.00 0.00 C ATOM 702 CG1 ILE A 43 -3.308 1.368 -5.863 1.00 0.00 C ATOM 703 CG2 ILE A 43 -4.374 3.425 -4.891 1.00 0.00 C ATOM 704 CD1 ILE A 43 -3.914 0.001 -5.634 1.00 0.00 C ATOM 0 H ILE A 43 -1.122 1.144 -3.434 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.686 3.531 -5.067 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.763 1.696 -3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.813 1.845 -6.703 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.262 1.251 -6.145 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.353 3.017 -5.142 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.456 4.038 -3.994 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.014 4.037 -5.718 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.817 -0.597 -6.540 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.394 -0.495 -4.815 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.969 0.108 -5.382 1.00 0.00 H new ATOM 716 N SER A 44 -1.982 4.916 -3.028 1.00 0.00 N ATOM 717 CA SER A 44 -2.054 5.751 -1.835 1.00 0.00 C ATOM 718 C SER A 44 -3.375 6.512 -1.786 1.00 0.00 C ATOM 719 O SER A 44 -3.698 7.274 -2.697 1.00 0.00 O ATOM 720 CB SER A 44 -0.881 6.733 -1.802 1.00 0.00 C ATOM 721 OG SER A 44 -1.127 7.850 -2.639 1.00 0.00 O ATOM 0 H SER A 44 -1.838 5.432 -3.896 1.00 0.00 H new ATOM 0 HA SER A 44 -1.997 5.102 -0.961 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.714 7.071 -0.779 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.030 6.227 -2.123 1.00 0.00 H new ATOM 0 HG SER A 44 -1.958 7.708 -3.138 1.00 0.00 H new ATOM 727 N ILE A 45 -4.133 6.302 -0.715 1.00 0.00 N ATOM 728 CA ILE A 45 -5.419 6.968 -0.545 1.00 0.00 C ATOM 729 C ILE A 45 -5.433 7.815 0.722 1.00 0.00 C ATOM 730 O ILE A 45 -4.446 7.862 1.458 1.00 0.00 O ATOM 731 CB ILE A 45 -6.576 5.952 -0.482 1.00 0.00 C ATOM 732 CG1 ILE A 45 -6.317 4.916 0.613 1.00 0.00 C ATOM 733 CG2 ILE A 45 -6.759 5.271 -1.831 1.00 0.00 C ATOM 734 CD1 ILE A 45 -7.448 3.927 0.790 1.00 0.00 C ATOM 0 H ILE A 45 -3.879 5.675 0.049 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.559 7.612 -1.413 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.495 6.486 -0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.403 4.371 0.377 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.146 5.433 1.557 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.580 4.557 -1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.986 6.021 -2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.842 4.748 -2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.195 3.223 1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.360 4.461 1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.605 3.383 -0.142 1.00 0.00 H new ATOM 746 N LYS A 46 -6.555 8.481 0.973 1.00 0.00 N ATOM 747 CA LYS A 46 -6.694 9.325 2.154 1.00 0.00 C ATOM 748 C LYS A 46 -6.768 8.478 3.422 1.00 0.00 C ATOM 749 O LYS A 46 -7.789 8.454 4.110 1.00 0.00 O ATOM 750 CB LYS A 46 -7.943 10.203 2.036 1.00 0.00 C ATOM 751 CG LYS A 46 -9.245 9.414 2.008 1.00 0.00 C ATOM 752 CD LYS A 46 -10.088 9.679 3.247 1.00 0.00 C ATOM 753 CE LYS A 46 -11.559 9.833 2.898 1.00 0.00 C ATOM 754 NZ LYS A 46 -12.412 9.932 4.116 1.00 0.00 N ATOM 0 H LYS A 46 -7.381 8.453 0.375 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.815 9.966 2.218 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.968 10.899 2.875 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.871 10.801 1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.813 9.680 1.117 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.024 8.349 1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.965 8.859 3.954 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.734 10.583 3.743 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.695 10.725 2.286 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.881 8.982 2.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.408 10.036 3.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.302 9.070 4.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.122 10.759 4.676 1.00 0.00 H new ATOM 768 N GLY A 47 -5.676 7.782 3.726 1.00 0.00 N ATOM 769 CA GLY A 47 -5.636 6.944 4.911 1.00 0.00 C ATOM 770 C GLY A 47 -4.797 7.550 6.018 1.00 0.00 C ATOM 771 O GLY A 47 -3.918 6.889 6.572 1.00 0.00 O ATOM 0 H GLY A 47 -4.819 7.784 3.173 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.651 6.784 5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.234 5.966 4.648 1.00 0.00 H new ATOM 775 N THR A 48 -5.068 8.810 6.341 1.00 0.00 N ATOM 776 CA THR A 48 -4.331 9.505 7.388 1.00 0.00 C ATOM 777 C THR A 48 -2.851 9.607 7.031 1.00 0.00 C ATOM 778 O THR A 48 -1.978 9.379 7.870 1.00 0.00 O ATOM 779 CB THR A 48 -4.504 8.789 8.732 1.00 0.00 C ATOM 780 OG1 THR A 48 -5.513 7.797 8.646 1.00 0.00 O ATOM 781 CG2 THR A 48 -4.876 9.722 9.862 1.00 0.00 C ATOM 0 H THR A 48 -5.793 9.370 5.892 1.00 0.00 H new ATOM 0 HA THR A 48 -4.735 10.514 7.475 1.00 0.00 H new ATOM 0 HB THR A 48 -3.532 8.347 8.951 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.607 7.350 9.513 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.983 9.151 10.785 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.094 10.471 9.987 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.819 10.217 9.630 1.00 0.00 H new ATOM 789 N GLN A 49 -2.575 9.952 5.776 1.00 0.00 N ATOM 790 CA GLN A 49 -1.203 10.086 5.297 1.00 0.00 C ATOM 791 C GLN A 49 -0.493 8.735 5.290 1.00 0.00 C ATOM 792 O GLN A 49 0.442 8.508 6.058 1.00 0.00 O ATOM 793 CB GLN A 49 -0.431 11.082 6.166 1.00 0.00 C ATOM 794 CG GLN A 49 0.558 11.931 5.385 1.00 0.00 C ATOM 795 CD GLN A 49 -0.106 12.727 4.280 1.00 0.00 C ATOM 796 OE1 GLN A 49 -1.328 12.705 4.130 1.00 0.00 O ATOM 797 NE2 GLN A 49 0.699 13.438 3.497 1.00 0.00 N ATOM 0 H GLN A 49 -3.286 10.144 5.071 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.237 10.461 4.274 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.141 11.738 6.671 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.105 10.535 6.942 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.063 12.614 6.067 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.324 11.286 4.954 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.706 13.427 3.657 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.309 13.994 2.736 1.00 0.00 H new ATOM 806 N SER A 50 -0.944 7.842 4.416 1.00 0.00 N ATOM 807 CA SER A 50 -0.352 6.515 4.306 1.00 0.00 C ATOM 808 C SER A 50 -0.767 5.845 3.000 1.00 0.00 C ATOM 809 O SER A 50 -1.421 6.459 2.157 1.00 0.00 O ATOM 810 CB SER A 50 -0.769 5.648 5.496 1.00 0.00 C ATOM 811 OG SER A 50 -0.394 6.252 6.723 1.00 0.00 O ATOM 0 H SER A 50 -1.718 8.013 3.774 1.00 0.00 H new ATOM 0 HA SER A 50 0.733 6.624 4.309 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.848 5.494 5.478 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.305 4.665 5.414 1.00 0.00 H new ATOM 0 HG SER A 50 0.332 6.891 6.565 1.00 0.00 H new ATOM 817 N ASN A 51 -0.385 4.582 2.839 1.00 0.00 N ATOM 818 CA ASN A 51 -0.721 3.833 1.634 1.00 0.00 C ATOM 819 C ASN A 51 -0.651 2.331 1.890 1.00 0.00 C ATOM 820 O ASN A 51 -0.369 1.894 3.005 1.00 0.00 O ATOM 821 CB ASN A 51 0.223 4.212 0.491 1.00 0.00 C ATOM 822 CG ASN A 51 1.671 3.894 0.808 1.00 0.00 C ATOM 823 OD1 ASN A 51 2.256 4.655 1.725 1.00 0.00 O flip ATOM 824 ND2 ASN A 51 2.256 2.975 0.236 1.00 0.00 N flip ATOM 0 H ASN A 51 0.156 4.057 3.526 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.742 4.088 1.351 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.073 3.680 -0.413 1.00 0.00 H new ATOM 0 HB3 ASN A 51 0.125 5.277 0.281 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.767 2.416 -0.463 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.230 2.773 0.460 1.00 0.00 H new ATOM 831 N HIS A 52 -0.909 1.546 0.850 1.00 0.00 N ATOM 832 CA HIS A 52 -0.875 0.094 0.961 1.00 0.00 C ATOM 833 C HIS A 52 -0.292 -0.536 -0.300 1.00 0.00 C ATOM 834 O HIS A 52 -0.261 0.088 -1.360 1.00 0.00 O ATOM 835 CB HIS A 52 -2.282 -0.452 1.214 1.00 0.00 C ATOM 836 CG HIS A 52 -3.254 -0.128 0.123 1.00 0.00 C ATOM 837 ND1 HIS A 52 -4.329 0.719 0.300 1.00 0.00 N ATOM 838 CD2 HIS A 52 -3.311 -0.539 -1.166 1.00 0.00 C ATOM 839 CE1 HIS A 52 -5.005 0.812 -0.832 1.00 0.00 C ATOM 840 NE2 HIS A 52 -4.407 0.059 -1.737 1.00 0.00 N ATOM 0 H HIS A 52 -1.144 1.892 -0.080 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.234 -0.165 1.804 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.227 -1.534 1.331 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.656 -0.048 2.155 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -2.622 -1.212 -1.654 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.895 1.403 -0.990 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -4.710 -0.059 -2.704 1.00 0.00 H new ATOM 849 N VAL A 53 0.164 -1.778 -0.176 1.00 0.00 N ATOM 850 CA VAL A 53 0.744 -2.497 -1.304 1.00 0.00 C ATOM 851 C VAL A 53 -0.121 -3.692 -1.693 1.00 0.00 C ATOM 852 O VAL A 53 -1.033 -4.074 -0.960 1.00 0.00 O ATOM 853 CB VAL A 53 2.172 -2.989 -0.994 1.00 0.00 C ATOM 854 CG1 VAL A 53 3.184 -1.882 -1.248 1.00 0.00 C ATOM 855 CG2 VAL A 53 2.271 -3.492 0.439 1.00 0.00 C ATOM 0 H VAL A 53 0.143 -2.308 0.695 1.00 0.00 H new ATOM 0 HA VAL A 53 0.789 -1.793 -2.135 1.00 0.00 H new ATOM 0 HB VAL A 53 2.400 -3.821 -1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.186 -2.247 -1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.134 -1.576 -2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.958 -1.028 -0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.287 -3.834 0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.021 -2.684 1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.576 -4.319 0.583 1.00 0.00 H new ATOM 865 N LEU A 54 0.171 -4.277 -2.850 1.00 0.00 N ATOM 866 CA LEU A 54 -0.581 -5.428 -3.336 1.00 0.00 C ATOM 867 C LEU A 54 0.253 -6.251 -4.311 1.00 0.00 C ATOM 868 O LEU A 54 0.590 -5.787 -5.401 1.00 0.00 O ATOM 869 CB LEU A 54 -1.873 -4.968 -4.015 1.00 0.00 C ATOM 870 CG LEU A 54 -2.981 -6.021 -4.088 1.00 0.00 C ATOM 871 CD1 LEU A 54 -2.517 -7.231 -4.887 1.00 0.00 C ATOM 872 CD2 LEU A 54 -3.412 -6.438 -2.690 1.00 0.00 C ATOM 0 H LEU A 54 0.923 -3.973 -3.468 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.830 -6.055 -2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.255 -4.098 -3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.636 -4.642 -5.028 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.839 -5.583 -4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.318 -7.969 -4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.257 -6.921 -5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.643 -7.671 -4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.201 -7.187 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.559 -6.858 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.785 -5.568 -2.150 1.00 0.00 H new ATOM 884 N PHE A 55 0.581 -7.476 -3.914 1.00 0.00 N ATOM 885 CA PHE A 55 1.374 -8.364 -4.755 1.00 0.00 C ATOM 886 C PHE A 55 0.554 -8.858 -5.941 1.00 0.00 C ATOM 887 O PHE A 55 -0.582 -9.303 -5.779 1.00 0.00 O ATOM 888 CB PHE A 55 1.885 -9.554 -3.942 1.00 0.00 C ATOM 889 CG PHE A 55 3.061 -10.248 -4.568 1.00 0.00 C ATOM 890 CD1 PHE A 55 4.354 -9.840 -4.286 1.00 0.00 C ATOM 891 CD2 PHE A 55 2.871 -11.308 -5.441 1.00 0.00 C ATOM 892 CE1 PHE A 55 5.437 -10.476 -4.861 1.00 0.00 C ATOM 893 CE2 PHE A 55 3.951 -11.948 -6.019 1.00 0.00 C ATOM 894 CZ PHE A 55 5.235 -11.532 -5.729 1.00 0.00 C ATOM 0 H PHE A 55 0.310 -7.876 -3.016 1.00 0.00 H new ATOM 0 HA PHE A 55 2.228 -7.801 -5.132 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.164 -9.210 -2.946 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.075 -10.272 -3.816 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.518 -9.015 -3.609 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.869 -11.637 -5.672 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.440 -10.148 -4.632 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.791 -12.773 -6.697 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.080 -12.031 -6.180 1.00 0.00 H new ATOM 904 N LEU A 56 1.135 -8.778 -7.133 1.00 0.00 N ATOM 905 CA LEU A 56 0.454 -9.216 -8.345 1.00 0.00 C ATOM 906 C LEU A 56 1.198 -10.374 -9.001 1.00 0.00 C ATOM 907 O LEU A 56 2.422 -10.350 -9.124 1.00 0.00 O ATOM 908 CB LEU A 56 0.325 -8.052 -9.330 1.00 0.00 C ATOM 909 CG LEU A 56 -0.942 -7.210 -9.174 1.00 0.00 C ATOM 910 CD1 LEU A 56 -0.834 -6.302 -7.958 1.00 0.00 C ATOM 911 CD2 LEU A 56 -1.194 -6.392 -10.432 1.00 0.00 C ATOM 0 H LEU A 56 2.076 -8.414 -7.285 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.542 -9.561 -8.068 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.192 -7.401 -9.215 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.356 -8.449 -10.345 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.787 -7.882 -9.025 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.745 -5.711 -7.863 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.700 -6.908 -7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.021 -5.636 -8.076 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.099 -5.798 -10.305 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.347 -5.729 -10.611 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.316 -7.062 -11.283 1.00 0.00 H new ATOM 923 N SER A 57 0.449 -11.389 -9.421 1.00 0.00 N ATOM 924 CA SER A 57 1.037 -12.556 -10.066 1.00 0.00 C ATOM 925 C SER A 57 0.896 -12.464 -11.582 1.00 0.00 C ATOM 926 O SER A 57 1.767 -12.916 -12.326 1.00 0.00 O ATOM 927 CB SER A 57 0.373 -13.836 -9.556 1.00 0.00 C ATOM 928 OG SER A 57 0.801 -14.144 -8.241 1.00 0.00 O ATOM 0 H SER A 57 -0.566 -11.426 -9.326 1.00 0.00 H new ATOM 0 HA SER A 57 2.098 -12.584 -9.818 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.710 -13.718 -9.571 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.613 -14.664 -10.223 1.00 0.00 H new ATOM 0 HG SER A 57 0.361 -14.965 -7.938 1.00 0.00 H new ATOM 934 N SER A 58 -0.206 -11.874 -12.034 1.00 0.00 N ATOM 935 CA SER A 58 -0.462 -11.720 -13.461 1.00 0.00 C ATOM 936 C SER A 58 -1.596 -10.730 -13.706 1.00 0.00 C ATOM 937 O SER A 58 -2.744 -10.984 -13.341 1.00 0.00 O ATOM 938 CB SER A 58 -0.802 -13.073 -14.088 1.00 0.00 C ATOM 939 OG SER A 58 -0.599 -13.052 -15.490 1.00 0.00 O ATOM 0 H SER A 58 -0.936 -11.494 -11.432 1.00 0.00 H new ATOM 0 HA SER A 58 0.442 -11.330 -13.928 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.183 -13.851 -13.640 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.840 -13.327 -13.872 1.00 0.00 H new ATOM 0 HG SER A 58 -0.822 -13.929 -15.866 1.00 0.00 H new ATOM 945 N TYR A 59 -1.267 -9.602 -14.326 1.00 0.00 N ATOM 946 CA TYR A 59 -2.258 -8.572 -14.620 1.00 0.00 C ATOM 947 C TYR A 59 -2.533 -8.487 -16.120 1.00 0.00 C ATOM 948 O TYR A 59 -3.602 -8.042 -16.538 1.00 0.00 O ATOM 949 CB TYR A 59 -1.781 -7.214 -14.100 1.00 0.00 C ATOM 950 CG TYR A 59 -2.758 -6.087 -14.354 1.00 0.00 C ATOM 951 CD1 TYR A 59 -3.778 -5.809 -13.454 1.00 0.00 C ATOM 952 CD2 TYR A 59 -2.658 -5.301 -15.496 1.00 0.00 C ATOM 953 CE1 TYR A 59 -4.672 -4.780 -13.683 1.00 0.00 C ATOM 954 CE2 TYR A 59 -3.548 -4.270 -15.732 1.00 0.00 C ATOM 955 CZ TYR A 59 -4.552 -4.014 -14.823 1.00 0.00 C ATOM 956 OH TYR A 59 -5.439 -2.988 -15.054 1.00 0.00 O ATOM 0 H TYR A 59 -0.321 -9.377 -14.635 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.185 -8.843 -14.116 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.598 -7.289 -13.028 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.828 -6.970 -14.570 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.875 -6.407 -12.560 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.872 -5.499 -16.210 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.460 -4.577 -12.973 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.457 -3.668 -16.624 1.00 0.00 H new ATOM 0 HH TYR A 59 -5.215 -2.546 -15.900 1.00 0.00 H new ATOM 966 N ASN A 60 -1.564 -8.911 -16.924 1.00 0.00 N ATOM 967 CA ASN A 60 -1.710 -8.878 -18.375 1.00 0.00 C ATOM 968 C ASN A 60 -2.672 -9.964 -18.849 1.00 0.00 C ATOM 969 O ASN A 60 -2.314 -11.139 -18.916 1.00 0.00 O ATOM 970 CB ASN A 60 -0.349 -9.056 -19.050 1.00 0.00 C ATOM 971 CG ASN A 60 0.394 -10.275 -18.544 1.00 0.00 C ATOM 972 OD1 ASN A 60 1.098 -10.214 -17.535 1.00 0.00 O ATOM 973 ND2 ASN A 60 0.244 -11.394 -19.244 1.00 0.00 N ATOM 0 H ASN A 60 -0.671 -9.281 -16.597 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.120 -7.907 -18.652 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.490 -9.142 -20.127 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.258 -8.167 -18.877 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.722 -12.246 -18.951 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.349 -11.401 -20.074 1.00 0.00 H new ATOM 980 N SER A 61 -3.895 -9.560 -19.179 1.00 0.00 N ATOM 981 CA SER A 61 -4.908 -10.500 -19.647 1.00 0.00 C ATOM 982 C SER A 61 -6.107 -9.760 -20.236 1.00 0.00 C ATOM 983 O SER A 61 -6.221 -9.616 -21.454 1.00 0.00 O ATOM 984 CB SER A 61 -5.359 -11.410 -18.503 1.00 0.00 C ATOM 985 OG SER A 61 -6.497 -12.168 -18.872 1.00 0.00 O ATOM 0 H SER A 61 -4.208 -8.590 -19.131 1.00 0.00 H new ATOM 0 HA SER A 61 -4.465 -11.113 -20.432 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.546 -12.081 -18.226 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.589 -10.808 -17.624 1.00 0.00 H new ATOM 0 HG SER A 61 -6.764 -12.742 -18.124 1.00 0.00 H new ATOM 991 N VAL A 62 -7.003 -9.297 -19.369 1.00 0.00 N ATOM 992 CA VAL A 62 -8.191 -8.578 -19.811 1.00 0.00 C ATOM 993 C VAL A 62 -8.835 -7.814 -18.651 1.00 0.00 C ATOM 994 O VAL A 62 -8.371 -7.893 -17.515 1.00 0.00 O ATOM 995 CB VAL A 62 -9.214 -9.548 -20.451 1.00 0.00 C ATOM 996 CG1 VAL A 62 -9.974 -10.333 -19.390 1.00 0.00 C ATOM 997 CG2 VAL A 62 -10.175 -8.800 -21.363 1.00 0.00 C ATOM 0 H VAL A 62 -6.928 -9.407 -18.358 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.881 -7.855 -20.565 1.00 0.00 H new ATOM 0 HB VAL A 62 -8.657 -10.263 -21.057 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.684 -11.004 -19.873 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.271 -10.916 -18.795 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.512 -9.642 -18.742 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.884 -9.503 -21.800 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.717 -8.051 -20.785 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.614 -8.309 -22.158 1.00 0.00 H new ATOM 1007 N ASP A 63 -9.903 -7.072 -18.945 1.00 0.00 N ATOM 1008 CA ASP A 63 -10.610 -6.287 -17.931 1.00 0.00 C ATOM 1009 C ASP A 63 -10.793 -7.069 -16.629 1.00 0.00 C ATOM 1010 O ASP A 63 -10.915 -6.478 -15.556 1.00 0.00 O ATOM 1011 CB ASP A 63 -11.972 -5.844 -18.465 1.00 0.00 C ATOM 1012 CG ASP A 63 -12.335 -4.437 -18.030 1.00 0.00 C ATOM 1013 OD1 ASP A 63 -11.940 -3.479 -18.727 1.00 0.00 O ATOM 1014 OD2 ASP A 63 -13.013 -4.294 -16.991 1.00 0.00 O ATOM 0 H ASP A 63 -10.300 -6.998 -19.882 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.000 -5.411 -17.710 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.966 -5.894 -19.554 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -12.738 -6.537 -18.118 1.00 0.00 H new ATOM 1019 N GLU A 64 -10.813 -8.398 -16.730 1.00 0.00 N ATOM 1020 CA GLU A 64 -10.983 -9.263 -15.563 1.00 0.00 C ATOM 1021 C GLU A 64 -10.167 -8.763 -14.372 1.00 0.00 C ATOM 1022 O GLU A 64 -10.576 -8.921 -13.221 1.00 0.00 O ATOM 1023 CB GLU A 64 -10.576 -10.698 -15.905 1.00 0.00 C ATOM 1024 CG GLU A 64 -11.276 -11.746 -15.055 1.00 0.00 C ATOM 1025 CD GLU A 64 -10.529 -12.053 -13.772 1.00 0.00 C ATOM 1026 OE1 GLU A 64 -9.476 -12.720 -13.843 1.00 0.00 O ATOM 1027 OE2 GLU A 64 -10.998 -11.625 -12.696 1.00 0.00 O ATOM 0 H GLU A 64 -10.713 -8.900 -17.612 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.037 -9.241 -15.285 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.795 -10.889 -16.956 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.498 -10.801 -15.780 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.280 -11.399 -14.812 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.387 -12.663 -15.634 1.00 0.00 H new ATOM 1034 N ILE A 65 -9.017 -8.153 -14.652 1.00 0.00 N ATOM 1035 CA ILE A 65 -8.163 -7.626 -13.591 1.00 0.00 C ATOM 1036 C ILE A 65 -8.148 -6.100 -13.597 1.00 0.00 C ATOM 1037 O ILE A 65 -7.819 -5.470 -12.591 1.00 0.00 O ATOM 1038 CB ILE A 65 -6.715 -8.146 -13.704 1.00 0.00 C ATOM 1039 CG1 ILE A 65 -6.088 -7.715 -15.037 1.00 0.00 C ATOM 1040 CG2 ILE A 65 -6.678 -9.661 -13.537 1.00 0.00 C ATOM 1041 CD1 ILE A 65 -6.203 -8.745 -16.142 1.00 0.00 C ATOM 0 H ILE A 65 -8.658 -8.012 -15.596 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.588 -7.979 -12.651 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.123 -7.706 -12.901 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.563 -6.791 -15.367 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.034 -7.491 -14.874 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.649 -10.011 -13.620 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.075 -9.929 -12.558 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.283 -10.128 -14.314 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.735 -8.360 -17.048 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.702 -9.664 -15.837 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.255 -8.953 -16.337 1.00 0.00 H new ATOM 1053 N ARG A 66 -8.510 -5.506 -14.733 1.00 0.00 N ATOM 1054 CA ARG A 66 -8.540 -4.053 -14.862 1.00 0.00 C ATOM 1055 C ARG A 66 -9.469 -3.438 -13.820 1.00 0.00 C ATOM 1056 O ARG A 66 -9.083 -2.525 -13.089 1.00 0.00 O ATOM 1057 CB ARG A 66 -8.996 -3.653 -16.266 1.00 0.00 C ATOM 1058 CG ARG A 66 -8.659 -2.217 -16.632 1.00 0.00 C ATOM 1059 CD ARG A 66 -8.723 -1.996 -18.134 1.00 0.00 C ATOM 1060 NE ARG A 66 -7.432 -2.227 -18.778 1.00 0.00 N ATOM 1061 CZ ARG A 66 -6.433 -1.347 -18.771 1.00 0.00 C ATOM 1062 NH1 ARG A 66 -6.575 -0.176 -18.163 1.00 0.00 N ATOM 1063 NH2 ARG A 66 -5.291 -1.639 -19.376 1.00 0.00 N ATOM 0 H ARG A 66 -8.786 -6.010 -15.576 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.531 -3.676 -14.695 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.534 -4.322 -16.993 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.074 -3.795 -16.342 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.354 -1.541 -16.134 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.661 -1.973 -16.269 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.468 -2.663 -18.567 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.052 -0.977 -18.337 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.288 -3.114 -19.261 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.453 0.054 -17.698 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.806 0.494 -18.161 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.178 -2.537 -19.846 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.525 -0.966 -19.371 1.00 0.00 H new ATOM 1077 N LYS A 67 -10.694 -3.947 -13.756 1.00 0.00 N ATOM 1078 CA LYS A 67 -11.680 -3.453 -12.802 1.00 0.00 C ATOM 1079 C LYS A 67 -11.389 -3.985 -11.403 1.00 0.00 C ATOM 1080 O LYS A 67 -11.663 -3.318 -10.404 1.00 0.00 O ATOM 1081 CB LYS A 67 -13.089 -3.864 -13.235 1.00 0.00 C ATOM 1082 CG LYS A 67 -14.145 -2.807 -12.962 1.00 0.00 C ATOM 1083 CD LYS A 67 -15.537 -3.308 -13.312 1.00 0.00 C ATOM 1084 CE LYS A 67 -16.372 -2.225 -13.975 1.00 0.00 C ATOM 1085 NZ LYS A 67 -17.789 -2.258 -13.517 1.00 0.00 N ATOM 0 H LYS A 67 -11.028 -4.702 -14.354 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.619 -2.365 -12.780 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.080 -4.089 -14.301 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.365 -4.783 -12.717 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.113 -2.522 -11.910 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.923 -1.911 -13.542 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.458 -4.167 -13.979 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.038 -3.652 -12.407 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.942 -1.248 -13.754 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.337 -2.351 -15.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.325 -1.504 -13.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.208 -3.181 -13.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.825 -2.112 -12.488 1.00 0.00 H new ATOM 1099 N GLU A 68 -10.830 -5.189 -11.339 1.00 0.00 N ATOM 1100 CA GLU A 68 -10.500 -5.813 -10.064 1.00 0.00 C ATOM 1101 C GLU A 68 -9.421 -5.021 -9.332 1.00 0.00 C ATOM 1102 O GLU A 68 -9.450 -4.899 -8.107 1.00 0.00 O ATOM 1103 CB GLU A 68 -10.037 -7.256 -10.282 1.00 0.00 C ATOM 1104 CG GLU A 68 -10.383 -8.186 -9.130 1.00 0.00 C ATOM 1105 CD GLU A 68 -9.441 -9.370 -9.034 1.00 0.00 C ATOM 1106 OE1 GLU A 68 -8.981 -9.850 -10.091 1.00 0.00 O ATOM 1107 OE2 GLU A 68 -9.164 -9.817 -7.901 1.00 0.00 O ATOM 0 H GLU A 68 -10.596 -5.752 -12.157 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.399 -5.819 -9.447 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.489 -7.640 -11.196 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.958 -7.264 -10.433 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.354 -7.627 -8.195 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.404 -8.548 -9.254 1.00 0.00 H new ATOM 1114 N LEU A 69 -8.469 -4.478 -10.087 1.00 0.00 N ATOM 1115 CA LEU A 69 -7.387 -3.694 -9.500 1.00 0.00 C ATOM 1116 C LEU A 69 -7.863 -2.286 -9.165 1.00 0.00 C ATOM 1117 O LEU A 69 -7.496 -1.726 -8.132 1.00 0.00 O ATOM 1118 CB LEU A 69 -6.190 -3.628 -10.450 1.00 0.00 C ATOM 1119 CG LEU A 69 -4.958 -2.919 -9.887 1.00 0.00 C ATOM 1120 CD1 LEU A 69 -4.126 -3.878 -9.050 1.00 0.00 C ATOM 1121 CD2 LEU A 69 -4.122 -2.326 -11.011 1.00 0.00 C ATOM 0 H LEU A 69 -8.425 -4.566 -11.102 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.076 -4.187 -8.579 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.910 -4.644 -10.729 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.498 -3.119 -11.364 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.294 -2.105 -9.244 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.253 -3.356 -8.658 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.727 -4.253 -8.222 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.800 -4.713 -9.670 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.250 -1.826 -10.591 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.796 -3.122 -11.681 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.720 -1.605 -11.568 1.00 0.00 H new ATOM 1133 N GLU A 70 -8.687 -1.718 -10.042 1.00 0.00 N ATOM 1134 CA GLU A 70 -9.216 -0.375 -9.834 1.00 0.00 C ATOM 1135 C GLU A 70 -9.939 -0.286 -8.495 1.00 0.00 C ATOM 1136 O GLU A 70 -9.766 0.673 -7.744 1.00 0.00 O ATOM 1137 CB GLU A 70 -10.165 0.007 -10.972 1.00 0.00 C ATOM 1138 CG GLU A 70 -9.486 0.770 -12.096 1.00 0.00 C ATOM 1139 CD GLU A 70 -9.160 2.201 -11.713 1.00 0.00 C ATOM 1140 OE1 GLU A 70 -8.381 2.397 -10.757 1.00 0.00 O ATOM 1141 OE2 GLU A 70 -9.683 3.125 -12.371 1.00 0.00 O ATOM 0 H GLU A 70 -9.002 -2.167 -10.902 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.380 0.325 -9.825 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.615 -0.899 -11.378 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.976 0.614 -10.570 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.568 0.255 -12.378 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.133 0.771 -12.973 1.00 0.00 H new ATOM 1148 N GLU A 71 -10.744 -1.302 -8.197 1.00 0.00 N ATOM 1149 CA GLU A 71 -11.483 -1.347 -6.943 1.00 0.00 C ATOM 1150 C GLU A 71 -10.532 -1.598 -5.779 1.00 0.00 C ATOM 1151 O GLU A 71 -10.603 -0.931 -4.746 1.00 0.00 O ATOM 1152 CB GLU A 71 -12.547 -2.445 -6.991 1.00 0.00 C ATOM 1153 CG GLU A 71 -13.611 -2.217 -8.052 1.00 0.00 C ATOM 1154 CD GLU A 71 -15.015 -2.237 -7.483 1.00 0.00 C ATOM 1155 OE1 GLU A 71 -15.354 -3.207 -6.772 1.00 0.00 O ATOM 1156 OE2 GLU A 71 -15.777 -1.283 -7.746 1.00 0.00 O ATOM 0 H GLU A 71 -10.900 -2.104 -8.808 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.975 -0.385 -6.798 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.060 -3.403 -7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.028 -2.516 -6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.434 -1.258 -8.539 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.523 -2.985 -8.820 1.00 0.00 H new ATOM 1163 N ALA A 72 -9.635 -2.562 -5.960 1.00 0.00 N ATOM 1164 CA ALA A 72 -8.658 -2.904 -4.934 1.00 0.00 C ATOM 1165 C ALA A 72 -7.854 -1.679 -4.513 1.00 0.00 C ATOM 1166 O ALA A 72 -7.321 -1.625 -3.405 1.00 0.00 O ATOM 1167 CB ALA A 72 -7.731 -3.998 -5.440 1.00 0.00 C ATOM 0 H ALA A 72 -9.565 -3.121 -6.810 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.195 -3.271 -4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.005 -4.246 -4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.315 -4.884 -5.687 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.208 -3.649 -6.330 1.00 0.00 H new ATOM 1173 N GLY A 73 -7.773 -0.696 -5.405 1.00 0.00 N ATOM 1174 CA GLY A 73 -7.035 0.516 -5.108 1.00 0.00 C ATOM 1175 C GLY A 73 -7.841 1.502 -4.288 1.00 0.00 C ATOM 1176 O GLY A 73 -7.301 2.180 -3.415 1.00 0.00 O ATOM 0 H GLY A 73 -8.206 -0.718 -6.328 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.124 0.259 -4.568 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.730 0.989 -6.041 1.00 0.00 H new ATOM 1180 N ALA A 74 -9.138 1.585 -4.569 1.00 0.00 N ATOM 1181 CA ALA A 74 -10.015 2.499 -3.847 1.00 0.00 C ATOM 1182 C ALA A 74 -11.480 2.115 -4.018 1.00 0.00 C ATOM 1183 O ALA A 74 -12.232 2.792 -4.720 1.00 0.00 O ATOM 1184 CB ALA A 74 -9.784 3.926 -4.315 1.00 0.00 C ATOM 0 H ALA A 74 -9.603 1.032 -5.289 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.774 2.429 -2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.444 4.599 -3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.747 4.206 -4.130 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.995 3.998 -5.382 1.00 0.00 H new ATOM 1190 N LYS A 75 -11.881 1.028 -3.367 1.00 0.00 N ATOM 1191 CA LYS A 75 -13.260 0.558 -3.442 1.00 0.00 C ATOM 1192 C LYS A 75 -14.045 0.984 -2.205 1.00 0.00 C ATOM 1193 O LYS A 75 -13.580 1.808 -1.418 1.00 0.00 O ATOM 1194 CB LYS A 75 -13.299 -0.964 -3.600 1.00 0.00 C ATOM 1195 CG LYS A 75 -12.702 -1.719 -2.423 1.00 0.00 C ATOM 1196 CD LYS A 75 -12.423 -3.173 -2.775 1.00 0.00 C ATOM 1197 CE LYS A 75 -13.670 -3.874 -3.296 1.00 0.00 C ATOM 1198 NZ LYS A 75 -14.869 -3.558 -2.471 1.00 0.00 N ATOM 0 H LYS A 75 -11.271 0.456 -2.782 1.00 0.00 H new ATOM 0 HA LYS A 75 -13.727 1.011 -4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.334 -1.279 -3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.761 -1.240 -4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.776 -1.235 -2.111 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.386 -1.674 -1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.637 -3.221 -3.528 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.052 -3.696 -1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.850 -3.575 -4.328 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.506 -4.952 -3.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.496 -4.387 -2.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.571 -3.310 -1.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.379 -2.756 -2.893 1.00 0.00 H new ATOM 1212 N ILE A 76 -15.241 0.426 -2.042 1.00 0.00 N ATOM 1213 CA ILE A 76 -16.091 0.759 -0.904 1.00 0.00 C ATOM 1214 C ILE A 76 -15.766 -0.099 0.317 1.00 0.00 C ATOM 1215 O ILE A 76 -15.678 0.409 1.435 1.00 0.00 O ATOM 1216 CB ILE A 76 -17.584 0.595 -1.255 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -18.462 1.106 -0.111 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -17.906 -0.861 -1.569 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -18.527 2.615 -0.027 1.00 0.00 C ATOM 0 H ILE A 76 -15.643 -0.258 -2.683 1.00 0.00 H new ATOM 0 HA ILE A 76 -15.890 1.803 -0.662 1.00 0.00 H new ATOM 0 HB ILE A 76 -17.795 1.190 -2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -19.471 0.713 -0.235 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -18.081 0.714 0.832 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -18.964 -0.955 -1.814 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.306 -1.192 -2.417 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -17.678 -1.479 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -19.167 2.906 0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -17.525 3.014 0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -18.937 3.014 -0.955 1.00 0.00 H new ATOM 1231 N ASN A 77 -15.599 -1.400 0.102 1.00 0.00 N ATOM 1232 CA ASN A 77 -15.297 -2.318 1.195 1.00 0.00 C ATOM 1233 C ASN A 77 -13.793 -2.373 1.474 1.00 0.00 C ATOM 1234 O ASN A 77 -13.285 -1.626 2.310 1.00 0.00 O ATOM 1235 CB ASN A 77 -15.834 -3.717 0.878 1.00 0.00 C ATOM 1236 CG ASN A 77 -17.156 -3.996 1.565 1.00 0.00 C ATOM 1237 OD1 ASN A 77 -18.212 -3.981 0.934 1.00 0.00 O ATOM 1238 ND2 ASN A 77 -17.103 -4.253 2.867 1.00 0.00 N ATOM 0 H ASN A 77 -15.667 -1.841 -0.815 1.00 0.00 H new ATOM 0 HA ASN A 77 -15.790 -1.946 2.093 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -15.959 -3.820 -0.200 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -15.102 -4.463 1.187 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -17.961 -4.448 3.384 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -16.205 -4.255 3.350 1.00 0.00 H new ATOM 1245 N HIS A 78 -13.088 -3.261 0.778 1.00 0.00 N ATOM 1246 CA HIS A 78 -11.648 -3.407 0.961 1.00 0.00 C ATOM 1247 C HIS A 78 -11.311 -3.721 2.418 1.00 0.00 C ATOM 1248 O HIS A 78 -12.189 -3.732 3.279 1.00 0.00 O ATOM 1249 CB HIS A 78 -10.921 -2.136 0.520 1.00 0.00 C ATOM 1250 CG HIS A 78 -9.595 -2.399 -0.123 1.00 0.00 C ATOM 1251 ND1 HIS A 78 -8.437 -1.746 0.244 1.00 0.00 N ATOM 1252 CD2 HIS A 78 -9.247 -3.250 -1.117 1.00 0.00 C ATOM 1253 CE1 HIS A 78 -7.433 -2.185 -0.495 1.00 0.00 C ATOM 1254 NE2 HIS A 78 -7.897 -3.099 -1.327 1.00 0.00 N ATOM 0 H HIS A 78 -13.491 -3.890 0.083 1.00 0.00 H new ATOM 0 HA HIS A 78 -11.314 -4.240 0.342 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -11.553 -1.590 -0.180 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -10.774 -1.492 1.387 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -9.907 -3.922 -1.646 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -6.408 -1.853 -0.429 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -7.343 -3.610 -2.014 1.00 0.00 H new ATOM 1263 N THR A 79 -10.033 -3.974 2.682 1.00 0.00 N ATOM 1264 CA THR A 79 -9.577 -4.287 4.032 1.00 0.00 C ATOM 1265 C THR A 79 -10.309 -5.503 4.593 1.00 0.00 C ATOM 1266 O THR A 79 -10.521 -5.609 5.801 1.00 0.00 O ATOM 1267 CB THR A 79 -9.781 -3.084 4.956 1.00 0.00 C ATOM 1268 OG1 THR A 79 -9.809 -1.879 4.211 1.00 0.00 O ATOM 1269 CG2 THR A 79 -8.701 -2.948 6.007 1.00 0.00 C ATOM 0 H THR A 79 -9.294 -3.968 1.979 1.00 0.00 H new ATOM 0 HA THR A 79 -8.514 -4.521 3.979 1.00 0.00 H new ATOM 0 HB THR A 79 -10.733 -3.262 5.456 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.942 -1.122 4.819 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.906 -2.076 6.628 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.685 -3.842 6.630 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.733 -2.828 5.521 1.00 0.00 H new ATOM 1277 N THR A 80 -10.691 -6.417 3.708 1.00 0.00 N ATOM 1278 CA THR A 80 -11.396 -7.627 4.116 1.00 0.00 C ATOM 1279 C THR A 80 -10.446 -8.820 4.169 1.00 0.00 C ATOM 1280 O THR A 80 -10.663 -9.764 4.927 1.00 0.00 O ATOM 1281 CB THR A 80 -12.550 -7.920 3.155 1.00 0.00 C ATOM 1282 OG1 THR A 80 -13.091 -9.207 3.398 1.00 0.00 O ATOM 1283 CG2 THR A 80 -12.145 -7.861 1.698 1.00 0.00 C ATOM 0 H THR A 80 -10.525 -6.343 2.704 1.00 0.00 H new ATOM 0 HA THR A 80 -11.799 -7.462 5.115 1.00 0.00 H new ATOM 0 HB THR A 80 -13.287 -7.139 3.343 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.828 -9.375 2.775 1.00 0.00 H new ATOM 0 HG21 THR A 80 -13.010 -8.078 1.071 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.769 -6.865 1.465 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.364 -8.597 1.507 1.00 0.00 H new ATOM 1291 N LEU A 81 -9.393 -8.768 3.354 1.00 0.00 N ATOM 1292 CA LEU A 81 -8.400 -9.841 3.300 1.00 0.00 C ATOM 1293 C LEU A 81 -8.914 -11.044 2.506 1.00 0.00 C ATOM 1294 O LEU A 81 -8.203 -12.038 2.346 1.00 0.00 O ATOM 1295 CB LEU A 81 -7.998 -10.279 4.713 1.00 0.00 C ATOM 1296 CG LEU A 81 -6.492 -10.384 4.953 1.00 0.00 C ATOM 1297 CD1 LEU A 81 -5.810 -9.057 4.656 1.00 0.00 C ATOM 1298 CD2 LEU A 81 -6.210 -10.823 6.382 1.00 0.00 C ATOM 0 H LEU A 81 -9.205 -7.991 2.720 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.523 -9.446 2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.416 -9.572 5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.452 -11.248 4.920 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.087 -11.136 4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.739 -9.151 4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.984 -8.784 3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.218 -8.284 5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.133 -10.893 6.535 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.629 -10.094 7.076 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.666 -11.797 6.560 1.00 0.00 H new ATOM 1310 N LYS A 82 -10.144 -10.954 2.005 1.00 0.00 N ATOM 1311 CA LYS A 82 -10.727 -12.041 1.229 1.00 0.00 C ATOM 1312 C LYS A 82 -10.194 -12.029 -0.198 1.00 0.00 C ATOM 1313 O LYS A 82 -9.546 -12.979 -0.635 1.00 0.00 O ATOM 1314 CB LYS A 82 -12.254 -11.933 1.223 1.00 0.00 C ATOM 1315 CG LYS A 82 -12.956 -13.240 1.558 1.00 0.00 C ATOM 1316 CD LYS A 82 -12.859 -13.561 3.041 1.00 0.00 C ATOM 1317 CE LYS A 82 -13.515 -12.483 3.889 1.00 0.00 C ATOM 1318 NZ LYS A 82 -14.264 -13.061 5.039 1.00 0.00 N ATOM 0 H LYS A 82 -10.752 -10.143 2.123 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.444 -12.984 1.696 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -12.559 -11.172 1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.583 -11.595 0.240 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -14.004 -13.176 1.266 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.513 -14.051 0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.336 -14.521 3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.811 -13.661 3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -12.752 -11.798 4.260 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.195 -11.898 3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.696 -12.294 5.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.009 -13.695 4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.611 -13.598 5.644 1.00 0.00 H new ATOM 1332 N ILE A 83 -10.461 -10.942 -0.917 1.00 0.00 N ATOM 1333 CA ILE A 83 -9.995 -10.810 -2.292 1.00 0.00 C ATOM 1334 C ILE A 83 -8.486 -11.009 -2.364 1.00 0.00 C ATOM 1335 O ILE A 83 -7.959 -11.487 -3.368 1.00 0.00 O ATOM 1336 CB ILE A 83 -10.354 -9.433 -2.882 1.00 0.00 C ATOM 1337 CG1 ILE A 83 -9.867 -8.314 -1.958 1.00 0.00 C ATOM 1338 CG2 ILE A 83 -11.855 -9.328 -3.105 1.00 0.00 C ATOM 1339 CD1 ILE A 83 -10.078 -6.927 -2.525 1.00 0.00 C ATOM 0 H ILE A 83 -10.995 -10.144 -0.572 1.00 0.00 H new ATOM 0 HA ILE A 83 -10.496 -11.580 -2.879 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.855 -9.325 -3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -10.387 -8.390 -1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -8.806 -8.457 -1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -12.093 -8.350 -3.522 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -12.175 -10.106 -3.798 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -12.374 -9.453 -2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -9.710 -6.185 -1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.535 -6.832 -3.466 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -11.141 -6.764 -2.701 1.00 0.00 H new ATOM 1351 N LEU A 84 -7.800 -10.651 -1.284 1.00 0.00 N ATOM 1352 CA LEU A 84 -6.355 -10.803 -1.213 1.00 0.00 C ATOM 1353 C LEU A 84 -5.987 -12.280 -1.159 1.00 0.00 C ATOM 1354 O LEU A 84 -4.993 -12.707 -1.747 1.00 0.00 O ATOM 1355 CB LEU A 84 -5.800 -10.078 0.015 1.00 0.00 C ATOM 1356 CG LEU A 84 -5.627 -8.566 -0.148 1.00 0.00 C ATOM 1357 CD1 LEU A 84 -6.137 -7.832 1.082 1.00 0.00 C ATOM 1358 CD2 LEU A 84 -4.168 -8.221 -0.407 1.00 0.00 C ATOM 0 H LEU A 84 -8.224 -10.253 -0.446 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.915 -10.360 -2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.465 -10.263 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.834 -10.514 0.269 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.216 -8.245 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.005 -6.759 0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.195 -8.052 1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.577 -8.158 1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.064 -7.142 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.560 -8.558 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.834 -8.716 -1.319 1.00 0.00 H new ATOM 1370 N GLU A 85 -6.807 -13.059 -0.458 1.00 0.00 N ATOM 1371 CA GLU A 85 -6.575 -14.492 -0.334 1.00 0.00 C ATOM 1372 C GLU A 85 -6.725 -15.176 -1.690 1.00 0.00 C ATOM 1373 O GLU A 85 -6.083 -16.191 -1.960 1.00 0.00 O ATOM 1374 CB GLU A 85 -7.550 -15.104 0.675 1.00 0.00 C ATOM 1375 CG GLU A 85 -6.872 -15.644 1.922 1.00 0.00 C ATOM 1376 CD GLU A 85 -6.399 -14.543 2.852 1.00 0.00 C ATOM 1377 OE1 GLU A 85 -5.402 -13.870 2.517 1.00 0.00 O ATOM 1378 OE2 GLU A 85 -7.028 -14.353 3.915 1.00 0.00 O ATOM 0 H GLU A 85 -7.636 -12.721 0.031 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.557 -14.646 0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.280 -14.349 0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.101 -15.911 0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.566 -16.293 2.456 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.021 -16.259 1.631 1.00 0.00 H new ATOM 1385 N GLY A 86 -7.576 -14.608 -2.543 1.00 0.00 N ATOM 1386 CA GLY A 86 -7.791 -15.175 -3.861 1.00 0.00 C ATOM 1387 C GLY A 86 -6.658 -14.860 -4.818 1.00 0.00 C ATOM 1388 O GLY A 86 -6.403 -15.613 -5.756 1.00 0.00 O ATOM 0 H GLY A 86 -8.118 -13.767 -2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -7.900 -16.256 -3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.726 -14.792 -4.270 1.00 0.00 H new ATOM 1392 N HIS A 87 -5.977 -13.743 -4.579 1.00 0.00 N ATOM 1393 CA HIS A 87 -4.864 -13.331 -5.427 1.00 0.00 C ATOM 1394 C HIS A 87 -3.535 -13.821 -4.856 1.00 0.00 C ATOM 1395 O HIS A 87 -2.744 -14.455 -5.554 1.00 0.00 O ATOM 1396 CB HIS A 87 -4.844 -11.807 -5.572 1.00 0.00 C ATOM 1397 CG HIS A 87 -4.887 -11.341 -6.995 1.00 0.00 C ATOM 1398 ND1 HIS A 87 -4.432 -12.103 -8.050 1.00 0.00 N ATOM 1399 CD2 HIS A 87 -5.337 -10.183 -7.535 1.00 0.00 C ATOM 1400 CE1 HIS A 87 -4.598 -11.433 -9.177 1.00 0.00 C ATOM 1401 NE2 HIS A 87 -5.145 -10.267 -8.892 1.00 0.00 N ATOM 0 H HIS A 87 -6.176 -13.108 -3.806 1.00 0.00 H new ATOM 0 HA HIS A 87 -5.001 -13.779 -6.411 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.695 -11.388 -5.035 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.944 -11.417 -5.097 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.766 -9.350 -6.999 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -4.331 -11.781 -10.164 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -5.386 -9.544 -9.570 1.00 0.00 H new ATOM 1410 N LEU A 88 -3.298 -13.522 -3.583 1.00 0.00 N ATOM 1411 CA LEU A 88 -2.065 -13.931 -2.918 1.00 0.00 C ATOM 1412 C LEU A 88 -2.102 -15.416 -2.570 1.00 0.00 C ATOM 1413 O LEU A 88 -1.141 -15.897 -1.935 1.00 0.00 O ATOM 1414 CB LEU A 88 -1.846 -13.102 -1.650 1.00 0.00 C ATOM 1415 CG LEU A 88 -1.004 -11.840 -1.839 1.00 0.00 C ATOM 1416 CD1 LEU A 88 0.421 -12.202 -2.228 1.00 0.00 C ATOM 1417 CD2 LEU A 88 -1.630 -10.934 -2.888 1.00 0.00 C ATOM 1418 OXT LEU A 88 -3.094 -16.084 -2.933 1.00 0.00 O ATOM 0 H LEU A 88 -3.943 -12.998 -2.991 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.236 -13.758 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.818 -12.815 -1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.366 -13.732 -0.901 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.975 -11.301 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.005 -11.291 -2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.869 -12.811 -1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.412 -12.764 -3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.017 -10.041 -3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.690 -11.465 -3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.632 -10.646 -2.569 1.00 0.00 H new TER 1430 LEU A 88