USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 449 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 -166:sc= -0.0617 (180deg=-0.395) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.115 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -49:sc= 0.37 USER MOD Single : A 17 LYS NZ :NH3+ -131:sc= -0.14 (180deg=-0.686) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 25 ASN : amide:sc= -0.431 X(o=-0.43,f=-0.029) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.119) USER MOD Single : A 47 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00118) USER MOD Single : A 48 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.18) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.228 -0.125 -2.042 1.00 54.14 N ATOM 2 CA MET A 1 1.315 0.531 -1.326 1.00 0.32 C ATOM 3 C MET A 1 2.664 -0.055 -1.730 1.00 1.02 C ATOM 4 O MET A 1 2.728 -1.098 -2.379 1.00 64.14 O ATOM 5 CB MET A 1 1.117 0.391 0.185 1.00 54.13 C ATOM 6 CG MET A 1 0.239 1.477 0.786 1.00 43.33 C ATOM 7 SD MET A 1 0.222 1.438 2.588 1.00 4.23 S ATOM 8 CE MET A 1 -0.449 -0.195 2.885 1.00 33.42 C ATOM 0 H1 MET A 1 -0.239 0.561 -2.668 1.00 54.14 H new ATOM 0 H2 MET A 1 0.609 -0.908 -2.610 1.00 54.14 H new ATOM 0 H3 MET A 1 -0.463 -0.497 -1.359 1.00 54.14 H new ATOM 0 HA MET A 1 1.304 1.588 -1.590 1.00 0.32 H new ATOM 0 HB2 MET A 1 0.673 -0.582 0.396 1.00 54.13 H new ATOM 0 HB3 MET A 1 2.091 0.410 0.674 1.00 54.13 H new ATOM 0 HG2 MET A 1 0.593 2.452 0.451 1.00 43.33 H new ATOM 0 HG3 MET A 1 -0.779 1.363 0.414 1.00 43.33 H new ATOM 0 HE1 MET A 1 -0.753 -0.279 3.928 1.00 33.42 H new ATOM 0 HE2 MET A 1 -1.314 -0.356 2.241 1.00 33.42 H new ATOM 0 HE3 MET A 1 0.311 -0.946 2.667 1.00 33.42 H new ATOM 18 N ALA A 2 3.739 0.623 -1.341 1.00 61.21 N ATOM 19 CA ALA A 2 5.086 0.168 -1.662 1.00 23.25 C ATOM 20 C ALA A 2 6.128 0.911 -0.833 1.00 45.42 C ATOM 21 O ALA A 2 6.400 2.088 -1.070 1.00 62.43 O ATOM 22 CB ALA A 2 5.364 0.346 -3.147 1.00 3.22 C ATOM 0 H ALA A 2 3.703 1.489 -0.803 1.00 61.21 H new ATOM 0 HA ALA A 2 5.153 -0.892 -1.417 1.00 23.25 H new ATOM 0 HB1 ALA A 2 6.374 0.002 -3.372 1.00 3.22 H new ATOM 0 HB2 ALA A 2 4.645 -0.236 -3.724 1.00 3.22 H new ATOM 0 HB3 ALA A 2 5.273 1.400 -3.411 1.00 3.22 H new ATOM 28 N GLY A 3 6.709 0.217 0.141 1.00 43.12 N ATOM 29 CA GLY A 3 7.715 0.829 0.990 1.00 34.30 C ATOM 30 C GLY A 3 9.109 0.305 0.707 1.00 12.24 C ATOM 31 O GLY A 3 10.001 0.409 1.549 1.00 44.30 O ATOM 0 H GLY A 3 6.501 -0.758 0.357 1.00 43.12 H new ATOM 0 HA2 GLY A 3 7.700 1.909 0.845 1.00 34.30 H new ATOM 0 HA3 GLY A 3 7.466 0.644 2.035 1.00 34.30 H new ATOM 35 N PHE A 4 9.297 -0.261 -0.480 1.00 40.01 N ATOM 36 CA PHE A 4 10.592 -0.806 -0.871 1.00 2.54 C ATOM 37 C PHE A 4 11.130 -0.095 -2.110 1.00 34.24 C ATOM 38 O PHE A 4 12.129 0.622 -2.044 1.00 13.34 O ATOM 39 CB PHE A 4 10.478 -2.307 -1.139 1.00 74.45 C ATOM 40 CG PHE A 4 11.723 -2.908 -1.725 1.00 65.30 C ATOM 41 CD1 PHE A 4 12.838 -3.133 -0.934 1.00 4.44 C ATOM 42 CD2 PHE A 4 11.780 -3.248 -3.067 1.00 73.41 C ATOM 43 CE1 PHE A 4 13.986 -3.686 -1.469 1.00 43.32 C ATOM 44 CE2 PHE A 4 12.925 -3.802 -3.608 1.00 74.20 C ATOM 45 CZ PHE A 4 14.030 -4.020 -2.808 1.00 53.05 C ATOM 0 H PHE A 4 8.569 -0.354 -1.188 1.00 40.01 H new ATOM 0 HA PHE A 4 11.289 -0.643 -0.049 1.00 2.54 H new ATOM 0 HB2 PHE A 4 10.243 -2.818 -0.205 1.00 74.45 H new ATOM 0 HB3 PHE A 4 9.644 -2.484 -1.818 1.00 74.45 H new ATOM 0 HD1 PHE A 4 12.810 -2.873 0.114 1.00 4.44 H new ATOM 0 HD2 PHE A 4 10.920 -3.078 -3.698 1.00 73.41 H new ATOM 0 HE1 PHE A 4 14.848 -3.857 -0.841 1.00 43.32 H new ATOM 0 HE2 PHE A 4 12.956 -4.064 -4.655 1.00 74.20 H new ATOM 0 HZ PHE A 4 14.926 -4.451 -3.229 1.00 53.05 H new ATOM 55 N LEU A 5 10.460 -0.300 -3.239 1.00 24.34 N ATOM 56 CA LEU A 5 10.870 0.319 -4.494 1.00 52.41 C ATOM 57 C LEU A 5 10.980 1.833 -4.344 1.00 2.35 C ATOM 58 O LEU A 5 11.742 2.485 -5.058 1.00 53.51 O ATOM 59 CB LEU A 5 9.874 -0.023 -5.603 1.00 55.23 C ATOM 60 CG LEU A 5 9.985 -1.428 -6.196 1.00 5.01 C ATOM 61 CD1 LEU A 5 8.619 -1.935 -6.629 1.00 33.34 C ATOM 62 CD2 LEU A 5 10.955 -1.437 -7.369 1.00 3.55 C ATOM 0 H LEU A 5 9.631 -0.890 -3.311 1.00 24.34 H new ATOM 0 HA LEU A 5 11.851 -0.074 -4.761 1.00 52.41 H new ATOM 0 HB2 LEU A 5 8.865 0.105 -5.210 1.00 55.23 H new ATOM 0 HB3 LEU A 5 9.996 0.700 -6.409 1.00 55.23 H new ATOM 0 HG LEU A 5 10.370 -2.096 -5.426 1.00 5.01 H new ATOM 0 HD11 LEU A 5 8.719 -2.936 -7.048 1.00 33.34 H new ATOM 0 HD12 LEU A 5 7.953 -1.967 -5.767 1.00 33.34 H new ATOM 0 HD13 LEU A 5 8.205 -1.266 -7.383 1.00 33.34 H new ATOM 0 HD21 LEU A 5 11.021 -2.445 -7.778 1.00 3.55 H new ATOM 0 HD22 LEU A 5 10.599 -0.755 -8.141 1.00 3.55 H new ATOM 0 HD23 LEU A 5 11.940 -1.118 -7.029 1.00 3.55 H new ATOM 74 N LYS A 6 10.217 2.387 -3.408 1.00 34.24 N ATOM 75 CA LYS A 6 10.230 3.823 -3.159 1.00 41.53 C ATOM 76 C LYS A 6 11.464 4.225 -2.358 1.00 10.54 C ATOM 77 O LYS A 6 12.210 5.121 -2.755 1.00 22.44 O ATOM 78 CB LYS A 6 8.963 4.245 -2.411 1.00 63.51 C ATOM 79 CG LYS A 6 9.024 5.659 -1.860 1.00 72.24 C ATOM 80 CD LYS A 6 9.176 6.684 -2.972 1.00 32.13 C ATOM 81 CE LYS A 6 9.246 8.099 -2.419 1.00 11.13 C ATOM 82 NZ LYS A 6 9.014 9.120 -3.477 1.00 52.33 N ATOM 0 H LYS A 6 9.581 1.862 -2.808 1.00 34.24 H new ATOM 0 HA LYS A 6 10.261 4.332 -4.122 1.00 41.53 H new ATOM 0 HB2 LYS A 6 8.110 4.163 -3.084 1.00 63.51 H new ATOM 0 HB3 LYS A 6 8.788 3.551 -1.589 1.00 63.51 H new ATOM 0 HG2 LYS A 6 8.118 5.869 -1.292 1.00 72.24 H new ATOM 0 HG3 LYS A 6 9.861 5.745 -1.167 1.00 72.24 H new ATOM 0 HD2 LYS A 6 10.079 6.471 -3.544 1.00 32.13 H new ATOM 0 HD3 LYS A 6 8.335 6.603 -3.661 1.00 32.13 H new ATOM 0 HE2 LYS A 6 8.503 8.218 -1.630 1.00 11.13 H new ATOM 0 HE3 LYS A 6 10.223 8.263 -1.964 1.00 11.13 H new ATOM 0 HZ1 LYS A 6 9.070 10.071 -3.060 1.00 52.33 H new ATOM 0 HZ2 LYS A 6 9.738 9.024 -4.217 1.00 52.33 H new ATOM 0 HZ3 LYS A 6 8.072 8.980 -3.894 1.00 52.33 H new ATOM 96 N VAL A 7 11.674 3.557 -1.228 1.00 13.22 N ATOM 97 CA VAL A 7 12.819 3.843 -0.372 1.00 12.23 C ATOM 98 C VAL A 7 14.130 3.545 -1.090 1.00 30.42 C ATOM 99 O VAL A 7 15.168 4.129 -0.779 1.00 11.12 O ATOM 100 CB VAL A 7 12.763 3.026 0.932 1.00 34.44 C ATOM 101 CG1 VAL A 7 11.535 3.404 1.748 1.00 65.14 C ATOM 102 CG2 VAL A 7 12.771 1.535 0.627 1.00 5.32 C ATOM 0 H VAL A 7 11.066 2.814 -0.884 1.00 13.22 H new ATOM 0 HA VAL A 7 12.775 4.905 -0.129 1.00 12.23 H new ATOM 0 HB VAL A 7 13.649 3.258 1.524 1.00 34.44 H new ATOM 0 HG11 VAL A 7 11.513 2.816 2.666 1.00 65.14 H new ATOM 0 HG12 VAL A 7 11.576 4.464 1.997 1.00 65.14 H new ATOM 0 HG13 VAL A 7 10.635 3.203 1.166 1.00 65.14 H new ATOM 0 HG21 VAL A 7 12.731 0.973 1.560 1.00 5.32 H new ATOM 0 HG22 VAL A 7 11.905 1.284 0.015 1.00 5.32 H new ATOM 0 HG23 VAL A 7 13.683 1.279 0.088 1.00 5.32 H new ATOM 112 N VAL A 8 14.076 2.631 -2.053 1.00 72.45 N ATOM 113 CA VAL A 8 15.259 2.255 -2.818 1.00 70.31 C ATOM 114 C VAL A 8 15.527 3.251 -3.940 1.00 63.05 C ATOM 115 O VAL A 8 16.658 3.384 -4.408 1.00 31.41 O ATOM 116 CB VAL A 8 15.113 0.845 -3.422 1.00 11.24 C ATOM 117 CG1 VAL A 8 16.333 0.494 -4.260 1.00 33.13 C ATOM 118 CG2 VAL A 8 14.896 -0.184 -2.323 1.00 60.40 C ATOM 0 H VAL A 8 13.225 2.137 -2.322 1.00 72.45 H new ATOM 0 HA VAL A 8 16.099 2.259 -2.124 1.00 70.31 H new ATOM 0 HB VAL A 8 14.240 0.836 -4.074 1.00 11.24 H new ATOM 0 HG11 VAL A 8 16.212 -0.505 -4.678 1.00 33.13 H new ATOM 0 HG12 VAL A 8 16.438 1.216 -5.070 1.00 33.13 H new ATOM 0 HG13 VAL A 8 17.224 0.519 -3.633 1.00 33.13 H new ATOM 0 HG21 VAL A 8 14.795 -1.174 -2.767 1.00 60.40 H new ATOM 0 HG22 VAL A 8 15.748 -0.176 -1.644 1.00 60.40 H new ATOM 0 HG23 VAL A 8 13.989 0.060 -1.770 1.00 60.40 H new ATOM 128 N GLN A 9 14.480 3.949 -4.368 1.00 0.15 N ATOM 129 CA GLN A 9 14.603 4.934 -5.436 1.00 22.32 C ATOM 130 C GLN A 9 15.460 6.115 -4.992 1.00 30.34 C ATOM 131 O GLN A 9 16.165 6.723 -5.799 1.00 35.54 O ATOM 132 CB GLN A 9 13.220 5.425 -5.867 1.00 44.30 C ATOM 133 CG GLN A 9 12.564 4.548 -6.921 1.00 44.43 C ATOM 134 CD GLN A 9 12.832 5.033 -8.333 1.00 3.04 C ATOM 135 OE1 GLN A 9 12.173 5.951 -8.822 1.00 31.32 O ATOM 136 NE2 GLN A 9 13.804 4.418 -8.996 1.00 24.44 N ATOM 0 H GLN A 9 13.537 3.851 -3.992 1.00 0.15 H new ATOM 0 HA GLN A 9 15.091 4.454 -6.284 1.00 22.32 H new ATOM 0 HB2 GLN A 9 12.572 5.473 -4.992 1.00 44.30 H new ATOM 0 HB3 GLN A 9 13.308 6.440 -6.255 1.00 44.30 H new ATOM 0 HG2 GLN A 9 12.929 3.526 -6.816 1.00 44.43 H new ATOM 0 HG3 GLN A 9 11.488 4.522 -6.748 1.00 44.43 H new ATOM 0 HE21 GLN A 9 14.325 3.662 -8.552 1.00 24.44 H new ATOM 0 HE22 GLN A 9 14.030 4.702 -9.949 1.00 24.44 H new ATOM 145 N LEU A 10 15.395 6.435 -3.704 1.00 71.00 N ATOM 146 CA LEU A 10 16.165 7.544 -3.152 1.00 12.23 C ATOM 147 C LEU A 10 17.660 7.244 -3.195 1.00 53.42 C ATOM 148 O LEU A 10 18.479 8.144 -3.386 1.00 50.23 O ATOM 149 CB LEU A 10 15.731 7.825 -1.712 1.00 20.21 C ATOM 150 CG LEU A 10 14.486 8.697 -1.544 1.00 21.53 C ATOM 151 CD1 LEU A 10 14.720 10.080 -2.130 1.00 71.03 C ATOM 152 CD2 LEU A 10 13.280 8.036 -2.196 1.00 22.44 C ATOM 0 H LEU A 10 14.817 5.942 -3.023 1.00 71.00 H new ATOM 0 HA LEU A 10 15.973 8.427 -3.762 1.00 12.23 H new ATOM 0 HB2 LEU A 10 15.552 6.872 -1.215 1.00 20.21 H new ATOM 0 HB3 LEU A 10 16.559 8.305 -1.191 1.00 20.21 H new ATOM 0 HG LEU A 10 14.283 8.806 -0.479 1.00 21.53 H new ATOM 0 HD11 LEU A 10 13.823 10.686 -2.001 1.00 71.03 H new ATOM 0 HD12 LEU A 10 15.556 10.556 -1.618 1.00 71.03 H new ATOM 0 HD13 LEU A 10 14.948 9.991 -3.192 1.00 71.03 H new ATOM 0 HD21 LEU A 10 12.403 8.670 -2.067 1.00 22.44 H new ATOM 0 HD22 LEU A 10 13.473 7.896 -3.260 1.00 22.44 H new ATOM 0 HD23 LEU A 10 13.099 7.068 -1.729 1.00 22.44 H new ATOM 164 N LEU A 11 18.008 5.975 -3.019 1.00 25.20 N ATOM 165 CA LEU A 11 19.405 5.555 -3.040 1.00 44.04 C ATOM 166 C LEU A 11 20.069 5.938 -4.359 1.00 40.42 C ATOM 167 O LEU A 11 21.289 6.081 -4.433 1.00 41.30 O ATOM 168 CB LEU A 11 19.508 4.044 -2.825 1.00 52.01 C ATOM 169 CG LEU A 11 19.437 3.566 -1.374 1.00 44.52 C ATOM 170 CD1 LEU A 11 20.559 4.184 -0.554 1.00 11.42 C ATOM 171 CD2 LEU A 11 18.083 3.902 -0.767 1.00 52.24 C ATOM 0 H LEU A 11 17.343 5.218 -2.860 1.00 25.20 H new ATOM 0 HA LEU A 11 19.924 6.067 -2.230 1.00 44.04 H new ATOM 0 HB2 LEU A 11 18.707 3.562 -3.385 1.00 52.01 H new ATOM 0 HB3 LEU A 11 20.449 3.699 -3.254 1.00 52.01 H new ATOM 0 HG LEU A 11 19.559 2.483 -1.362 1.00 44.52 H new ATOM 0 HD11 LEU A 11 20.493 3.833 0.476 1.00 11.42 H new ATOM 0 HD12 LEU A 11 21.521 3.893 -0.976 1.00 11.42 H new ATOM 0 HD13 LEU A 11 20.468 5.270 -0.574 1.00 11.42 H new ATOM 0 HD21 LEU A 11 18.051 3.554 0.266 1.00 52.24 H new ATOM 0 HD22 LEU A 11 17.931 4.981 -0.792 1.00 52.24 H new ATOM 0 HD23 LEU A 11 17.296 3.412 -1.340 1.00 52.24 H new ATOM 183 N ALA A 12 19.257 6.105 -5.398 1.00 12.42 N ATOM 184 CA ALA A 12 19.765 6.477 -6.713 1.00 34.53 C ATOM 185 C ALA A 12 20.660 7.708 -6.628 1.00 23.21 C ATOM 186 O ALA A 12 21.658 7.813 -7.342 1.00 11.24 O ATOM 187 CB ALA A 12 18.611 6.726 -7.673 1.00 31.11 C ATOM 0 H ALA A 12 18.245 5.989 -5.354 1.00 12.42 H new ATOM 0 HA ALA A 12 20.366 5.649 -7.091 1.00 34.53 H new ATOM 0 HB1 ALA A 12 19.005 7.003 -8.651 1.00 31.11 H new ATOM 0 HB2 ALA A 12 18.013 5.819 -7.766 1.00 31.11 H new ATOM 0 HB3 ALA A 12 17.988 7.534 -7.291 1.00 31.11 H new ATOM 193 N LYS A 13 20.298 8.638 -5.751 1.00 52.01 N ATOM 194 CA LYS A 13 21.068 9.863 -5.572 1.00 23.22 C ATOM 195 C LYS A 13 22.437 9.561 -4.970 1.00 1.20 C ATOM 196 O LYS A 13 23.418 10.246 -5.261 1.00 23.30 O ATOM 197 CB LYS A 13 20.308 10.841 -4.673 1.00 25.22 C ATOM 198 CG LYS A 13 20.312 10.447 -3.206 1.00 30.11 C ATOM 199 CD LYS A 13 21.464 11.096 -2.457 1.00 32.00 C ATOM 200 CE LYS A 13 21.060 11.485 -1.043 1.00 44.21 C ATOM 201 NZ LYS A 13 20.544 12.881 -0.978 1.00 24.32 N ATOM 0 H LYS A 13 19.475 8.566 -5.152 1.00 52.01 H new ATOM 0 HA LYS A 13 21.213 10.318 -6.552 1.00 23.22 H new ATOM 0 HB2 LYS A 13 20.748 11.833 -4.775 1.00 25.22 H new ATOM 0 HB3 LYS A 13 19.277 10.913 -5.019 1.00 25.22 H new ATOM 0 HG2 LYS A 13 19.368 10.740 -2.747 1.00 30.11 H new ATOM 0 HG3 LYS A 13 20.386 9.363 -3.120 1.00 30.11 H new ATOM 0 HD2 LYS A 13 22.308 10.408 -2.419 1.00 32.00 H new ATOM 0 HD3 LYS A 13 21.798 11.981 -2.998 1.00 32.00 H new ATOM 0 HE2 LYS A 13 20.295 10.798 -0.682 1.00 44.21 H new ATOM 0 HE3 LYS A 13 21.919 11.384 -0.379 1.00 44.21 H new ATOM 0 HZ1 LYS A 13 20.279 13.108 0.002 1.00 24.32 H new ATOM 0 HZ2 LYS A 13 21.282 13.539 -1.299 1.00 24.32 H new ATOM 0 HZ3 LYS A 13 19.709 12.972 -1.592 1.00 24.32 H new ATOM 215 N TYR A 14 22.496 8.533 -4.132 1.00 31.35 N ATOM 216 CA TYR A 14 23.745 8.141 -3.488 1.00 55.33 C ATOM 217 C TYR A 14 24.684 7.469 -4.485 1.00 75.02 C ATOM 218 O TYR A 14 25.892 7.697 -4.468 1.00 42.43 O ATOM 219 CB TYR A 14 23.465 7.198 -2.317 1.00 65.43 C ATOM 220 CG TYR A 14 23.084 7.913 -1.041 1.00 31.21 C ATOM 221 CD1 TYR A 14 24.046 8.535 -0.256 1.00 1.44 C ATOM 222 CD2 TYR A 14 21.760 7.967 -0.621 1.00 24.21 C ATOM 223 CE1 TYR A 14 23.702 9.189 0.912 1.00 51.24 C ATOM 224 CE2 TYR A 14 21.407 8.620 0.544 1.00 32.31 C ATOM 225 CZ TYR A 14 22.381 9.229 1.307 1.00 21.21 C ATOM 226 OH TYR A 14 22.034 9.880 2.468 1.00 10.34 O ATOM 0 H TYR A 14 21.693 7.955 -3.882 1.00 31.35 H new ATOM 0 HA TYR A 14 24.229 9.042 -3.112 1.00 55.33 H new ATOM 0 HB2 TYR A 14 22.662 6.516 -2.595 1.00 65.43 H new ATOM 0 HB3 TYR A 14 24.350 6.589 -2.132 1.00 65.43 H new ATOM 0 HD1 TYR A 14 25.081 8.507 -0.564 1.00 1.44 H new ATOM 0 HD2 TYR A 14 20.995 7.490 -1.215 1.00 24.21 H new ATOM 0 HE1 TYR A 14 24.463 9.666 1.512 1.00 51.24 H new ATOM 0 HE2 TYR A 14 20.373 8.653 0.856 1.00 32.31 H new ATOM 0 HH TYR A 14 21.065 9.816 2.602 1.00 10.34 H new ATOM 236 N GLY A 15 24.117 6.638 -5.355 1.00 35.14 N ATOM 237 CA GLY A 15 24.916 5.945 -6.348 1.00 31.31 C ATOM 238 C GLY A 15 24.428 4.532 -6.602 1.00 2.13 C ATOM 239 O GLY A 15 23.300 4.185 -6.252 1.00 1.41 O ATOM 0 H GLY A 15 23.118 6.433 -5.389 1.00 35.14 H new ATOM 0 HA2 GLY A 15 24.896 6.506 -7.282 1.00 31.31 H new ATOM 0 HA3 GLY A 15 25.954 5.914 -6.017 1.00 31.31 H new ATOM 243 N SER A 16 25.279 3.715 -7.214 1.00 23.24 N ATOM 244 CA SER A 16 24.927 2.333 -7.519 1.00 53.33 C ATOM 245 C SER A 16 25.647 1.369 -6.582 1.00 32.22 C ATOM 246 O SER A 16 25.921 0.223 -6.941 1.00 12.33 O ATOM 247 CB SER A 16 25.275 2.005 -8.972 1.00 50.45 C ATOM 248 OG SER A 16 24.685 0.782 -9.375 1.00 34.43 O ATOM 0 H SER A 16 26.217 3.986 -7.508 1.00 23.24 H new ATOM 0 HA SER A 16 23.853 2.218 -7.375 1.00 53.33 H new ATOM 0 HB2 SER A 16 24.931 2.810 -9.622 1.00 50.45 H new ATOM 0 HB3 SER A 16 26.357 1.945 -9.085 1.00 50.45 H new ATOM 0 HG SER A 16 24.871 0.092 -8.704 1.00 34.43 H new ATOM 254 N LYS A 17 25.951 1.841 -5.377 1.00 71.45 N ATOM 255 CA LYS A 17 26.638 1.022 -4.386 1.00 20.04 C ATOM 256 C LYS A 17 25.731 0.737 -3.193 1.00 30.40 C ATOM 257 O LYS A 17 25.615 -0.405 -2.749 1.00 31.21 O ATOM 258 CB LYS A 17 27.915 1.721 -3.913 1.00 53.11 C ATOM 259 CG LYS A 17 29.110 1.482 -4.819 1.00 62.20 C ATOM 260 CD LYS A 17 29.126 2.451 -5.989 1.00 3.31 C ATOM 261 CE LYS A 17 30.484 2.475 -6.675 1.00 33.04 C ATOM 262 NZ LYS A 17 31.563 2.927 -5.753 1.00 53.42 N ATOM 0 H LYS A 17 25.732 2.787 -5.064 1.00 71.45 H new ATOM 0 HA LYS A 17 26.902 0.074 -4.855 1.00 20.04 H new ATOM 0 HB2 LYS A 17 27.729 2.793 -3.846 1.00 53.11 H new ATOM 0 HB3 LYS A 17 28.157 1.376 -2.908 1.00 53.11 H new ATOM 0 HG2 LYS A 17 30.030 1.589 -4.245 1.00 62.20 H new ATOM 0 HG3 LYS A 17 29.085 0.459 -5.193 1.00 62.20 H new ATOM 0 HD2 LYS A 17 28.359 2.166 -6.709 1.00 3.31 H new ATOM 0 HD3 LYS A 17 28.877 3.452 -5.637 1.00 3.31 H new ATOM 0 HE2 LYS A 17 30.720 1.479 -7.049 1.00 33.04 H new ATOM 0 HE3 LYS A 17 30.443 3.138 -7.539 1.00 33.04 H new ATOM 0 HZ1 LYS A 17 32.129 3.666 -6.217 1.00 53.42 H new ATOM 0 HZ2 LYS A 17 31.139 3.310 -4.884 1.00 53.42 H new ATOM 0 HZ3 LYS A 17 32.175 2.121 -5.513 1.00 53.42 H new ATOM 276 N ALA A 18 25.089 1.781 -2.680 1.00 42.21 N ATOM 277 CA ALA A 18 24.190 1.642 -1.542 1.00 31.55 C ATOM 278 C ALA A 18 22.864 1.016 -1.962 1.00 64.14 C ATOM 279 O ALA A 18 22.220 0.317 -1.180 1.00 61.01 O ATOM 280 CB ALA A 18 23.953 2.995 -0.887 1.00 72.51 C ATOM 0 H ALA A 18 25.175 2.733 -3.035 1.00 42.21 H new ATOM 0 HA ALA A 18 24.662 0.978 -0.818 1.00 31.55 H new ATOM 0 HB1 ALA A 18 23.279 2.875 -0.038 1.00 72.51 H new ATOM 0 HB2 ALA A 18 24.903 3.403 -0.542 1.00 72.51 H new ATOM 0 HB3 ALA A 18 23.507 3.677 -1.611 1.00 72.51 H new ATOM 286 N VAL A 19 22.462 1.272 -3.203 1.00 71.01 N ATOM 287 CA VAL A 19 21.213 0.733 -3.728 1.00 52.41 C ATOM 288 C VAL A 19 21.280 -0.784 -3.858 1.00 65.14 C ATOM 289 O VAL A 19 20.272 -1.474 -3.711 1.00 24.41 O ATOM 290 CB VAL A 19 20.873 1.341 -5.102 1.00 62.01 C ATOM 291 CG1 VAL A 19 21.912 0.936 -6.137 1.00 0.03 C ATOM 292 CG2 VAL A 19 19.479 0.919 -5.541 1.00 21.02 C ATOM 0 H VAL A 19 22.983 1.849 -3.863 1.00 71.01 H new ATOM 0 HA VAL A 19 20.430 0.999 -3.017 1.00 52.41 H new ATOM 0 HB VAL A 19 20.888 2.427 -5.013 1.00 62.01 H new ATOM 0 HG11 VAL A 19 21.655 1.375 -7.101 1.00 0.03 H new ATOM 0 HG12 VAL A 19 22.894 1.293 -5.826 1.00 0.03 H new ATOM 0 HG13 VAL A 19 21.932 -0.150 -6.226 1.00 0.03 H new ATOM 0 HG21 VAL A 19 19.255 1.358 -6.514 1.00 21.02 H new ATOM 0 HG22 VAL A 19 19.434 -0.168 -5.614 1.00 21.02 H new ATOM 0 HG23 VAL A 19 18.747 1.264 -4.810 1.00 21.02 H new ATOM 302 N GLN A 20 22.475 -1.296 -4.135 1.00 64.11 N ATOM 303 CA GLN A 20 22.674 -2.733 -4.285 1.00 41.23 C ATOM 304 C GLN A 20 22.284 -3.473 -3.010 1.00 40.40 C ATOM 305 O GLN A 20 21.555 -4.464 -3.054 1.00 44.24 O ATOM 306 CB GLN A 20 24.132 -3.033 -4.638 1.00 30.23 C ATOM 307 CG GLN A 20 24.387 -4.492 -4.980 1.00 71.22 C ATOM 308 CD GLN A 20 25.766 -4.722 -5.566 1.00 41.32 C ATOM 309 OE1 GLN A 20 26.640 -3.858 -5.483 1.00 60.23 O ATOM 310 NE2 GLN A 20 25.969 -5.890 -6.163 1.00 71.32 N ATOM 0 H GLN A 20 23.319 -0.738 -4.260 1.00 64.11 H new ATOM 0 HA GLN A 20 22.033 -3.081 -5.095 1.00 41.23 H new ATOM 0 HB2 GLN A 20 24.427 -2.413 -5.485 1.00 30.23 H new ATOM 0 HB3 GLN A 20 24.766 -2.749 -3.798 1.00 30.23 H new ATOM 0 HG2 GLN A 20 24.273 -5.097 -4.081 1.00 71.22 H new ATOM 0 HG3 GLN A 20 23.633 -4.832 -5.690 1.00 71.22 H new ATOM 0 HE21 GLN A 20 25.216 -6.577 -6.209 1.00 71.32 H new ATOM 0 HE22 GLN A 20 26.878 -6.101 -6.576 1.00 71.32 H new ATOM 319 N TRP A 21 22.774 -2.985 -1.876 1.00 53.11 N ATOM 320 CA TRP A 21 22.476 -3.601 -0.588 1.00 2.22 C ATOM 321 C TRP A 21 20.973 -3.777 -0.403 1.00 21.11 C ATOM 322 O TRP A 21 20.500 -4.872 -0.100 1.00 1.12 O ATOM 323 CB TRP A 21 23.047 -2.753 0.550 1.00 15.50 C ATOM 324 CG TRP A 21 22.974 -3.426 1.887 1.00 11.00 C ATOM 325 CD1 TRP A 21 23.743 -4.467 2.323 1.00 32.01 C ATOM 326 CD2 TRP A 21 22.082 -3.106 2.960 1.00 21.14 C ATOM 327 NE1 TRP A 21 23.383 -4.814 3.603 1.00 14.51 N ATOM 328 CE2 TRP A 21 22.367 -3.993 4.017 1.00 73.20 C ATOM 329 CE3 TRP A 21 21.072 -2.155 3.133 1.00 64.53 C ATOM 330 CZ2 TRP A 21 21.677 -3.957 5.226 1.00 55.54 C ATOM 331 CZ3 TRP A 21 20.388 -2.121 4.333 1.00 41.43 C ATOM 332 CH2 TRP A 21 20.693 -3.016 5.367 1.00 51.31 C ATOM 0 H TRP A 21 23.379 -2.165 -1.822 1.00 53.11 H new ATOM 0 HA TRP A 21 22.943 -4.586 -0.568 1.00 2.22 H new ATOM 0 HB2 TRP A 21 24.087 -2.513 0.328 1.00 15.50 H new ATOM 0 HB3 TRP A 21 22.505 -1.808 0.597 1.00 15.50 H new ATOM 0 HD1 TRP A 21 24.520 -4.947 1.746 1.00 32.01 H new ATOM 0 HE1 TRP A 21 23.804 -5.561 4.155 1.00 14.51 H new ATOM 0 HE3 TRP A 21 20.831 -1.459 2.343 1.00 64.53 H new ATOM 0 HZ2 TRP A 21 21.910 -4.647 6.024 1.00 55.54 H new ATOM 0 HZ3 TRP A 21 19.604 -1.392 4.477 1.00 41.43 H new ATOM 0 HH2 TRP A 21 20.141 -2.962 6.294 1.00 51.31 H new ATOM 343 N ALA A 22 20.227 -2.693 -0.587 1.00 43.35 N ATOM 344 CA ALA A 22 18.777 -2.729 -0.443 1.00 63.10 C ATOM 345 C ALA A 22 18.167 -3.825 -1.310 1.00 54.44 C ATOM 346 O ALA A 22 17.177 -4.450 -0.931 1.00 32.23 O ATOM 347 CB ALA A 22 18.177 -1.377 -0.798 1.00 4.54 C ATOM 0 H ALA A 22 20.603 -1.778 -0.836 1.00 43.35 H new ATOM 0 HA ALA A 22 18.545 -2.954 0.598 1.00 63.10 H new ATOM 0 HB1 ALA A 22 17.094 -1.419 -0.686 1.00 4.54 H new ATOM 0 HB2 ALA A 22 18.581 -0.614 -0.133 1.00 4.54 H new ATOM 0 HB3 ALA A 22 18.426 -1.128 -1.830 1.00 4.54 H new ATOM 353 N TRP A 23 18.762 -4.050 -2.476 1.00 30.42 N ATOM 354 CA TRP A 23 18.275 -5.071 -3.398 1.00 1.45 C ATOM 355 C TRP A 23 18.723 -6.460 -2.958 1.00 31.15 C ATOM 356 O TRP A 23 18.033 -7.450 -3.199 1.00 14.14 O ATOM 357 CB TRP A 23 18.773 -4.786 -4.815 1.00 44.13 C ATOM 358 CG TRP A 23 17.846 -3.914 -5.607 1.00 3.22 C ATOM 359 CD1 TRP A 23 17.930 -2.560 -5.765 1.00 42.04 C ATOM 360 CD2 TRP A 23 16.695 -4.336 -6.346 1.00 12.35 C ATOM 361 NE1 TRP A 23 16.900 -2.115 -6.558 1.00 41.23 N ATOM 362 CE2 TRP A 23 16.129 -3.185 -6.928 1.00 13.31 C ATOM 363 CE3 TRP A 23 16.088 -5.574 -6.574 1.00 10.34 C ATOM 364 CZ2 TRP A 23 14.986 -3.238 -7.721 1.00 53.41 C ATOM 365 CZ3 TRP A 23 14.953 -5.624 -7.361 1.00 24.42 C ATOM 366 CH2 TRP A 23 14.412 -4.463 -7.928 1.00 2.34 C ATOM 0 H TRP A 23 19.582 -3.540 -2.806 1.00 30.42 H new ATOM 0 HA TRP A 23 17.185 -5.042 -3.391 1.00 1.45 H new ATOM 0 HB2 TRP A 23 19.751 -4.308 -4.759 1.00 44.13 H new ATOM 0 HB3 TRP A 23 18.910 -5.731 -5.341 1.00 44.13 H new ATOM 0 HD1 TRP A 23 18.694 -1.932 -5.331 1.00 42.04 H new ATOM 0 HE1 TRP A 23 16.736 -1.145 -6.828 1.00 41.23 H new ATOM 0 HE3 TRP A 23 16.498 -6.475 -6.143 1.00 10.34 H new ATOM 0 HZ2 TRP A 23 14.567 -2.344 -8.158 1.00 53.41 H new ATOM 0 HZ3 TRP A 23 14.475 -6.575 -7.542 1.00 24.42 H new ATOM 0 HH2 TRP A 23 13.525 -4.536 -8.540 1.00 2.34 H new ATOM 377 N ALA A 24 19.882 -6.526 -2.311 1.00 62.40 N ATOM 378 CA ALA A 24 20.420 -7.795 -1.836 1.00 2.04 C ATOM 379 C ALA A 24 19.578 -8.356 -0.695 1.00 12.52 C ATOM 380 O ALA A 24 18.956 -9.409 -0.829 1.00 45.31 O ATOM 381 CB ALA A 24 21.865 -7.622 -1.392 1.00 22.23 C ATOM 0 H ALA A 24 20.466 -5.716 -2.104 1.00 62.40 H new ATOM 0 HA ALA A 24 20.387 -8.507 -2.661 1.00 2.04 H new ATOM 0 HB1 ALA A 24 22.254 -8.577 -1.040 1.00 22.23 H new ATOM 0 HB2 ALA A 24 22.465 -7.274 -2.233 1.00 22.23 H new ATOM 0 HB3 ALA A 24 21.913 -6.891 -0.585 1.00 22.23 H new ATOM 387 N ASN A 25 19.562 -7.645 0.428 1.00 3.50 N ATOM 388 CA ASN A 25 18.797 -8.072 1.593 1.00 33.52 C ATOM 389 C ASN A 25 17.298 -7.943 1.337 1.00 23.10 C ATOM 390 O ASN A 25 16.714 -6.877 1.530 1.00 13.20 O ATOM 391 CB ASN A 25 19.189 -7.245 2.819 1.00 22.41 C ATOM 392 CG ASN A 25 20.556 -7.622 3.357 1.00 2.11 C ATOM 393 OD1 ASN A 25 20.678 -8.491 4.220 1.00 21.32 O ATOM 394 ND2 ASN A 25 21.593 -6.967 2.848 1.00 41.10 N ATOM 0 H ASN A 25 20.071 -6.770 0.555 1.00 3.50 H new ATOM 0 HA ASN A 25 19.027 -9.121 1.782 1.00 33.52 H new ATOM 0 HB2 ASN A 25 19.184 -6.187 2.557 1.00 22.41 H new ATOM 0 HB3 ASN A 25 18.443 -7.384 3.601 1.00 22.41 H new ATOM 0 HD21 ASN A 25 22.537 -7.177 3.171 1.00 41.10 H new ATOM 0 HD22 ASN A 25 21.445 -6.254 2.134 1.00 41.10 H new ATOM 401 N LYS A 26 16.682 -9.036 0.902 1.00 74.44 N ATOM 402 CA LYS A 26 15.251 -9.048 0.620 1.00 11.23 C ATOM 403 C LYS A 26 14.481 -9.732 1.745 1.00 13.11 C ATOM 404 O LYS A 26 14.340 -10.954 1.761 1.00 64.04 O ATOM 405 CB LYS A 26 14.977 -9.760 -0.706 1.00 52.34 C ATOM 406 CG LYS A 26 15.213 -8.886 -1.926 1.00 4.21 C ATOM 407 CD LYS A 26 14.038 -7.958 -2.184 1.00 31.22 C ATOM 408 CE LYS A 26 12.878 -8.696 -2.835 1.00 31.15 C ATOM 409 NZ LYS A 26 11.743 -7.783 -3.144 1.00 42.21 N ATOM 0 H LYS A 26 17.151 -9.926 0.737 1.00 74.44 H new ATOM 0 HA LYS A 26 14.912 -8.015 0.547 1.00 11.23 H new ATOM 0 HB2 LYS A 26 15.613 -10.642 -0.773 1.00 52.34 H new ATOM 0 HB3 LYS A 26 13.945 -10.110 -0.714 1.00 52.34 H new ATOM 0 HG2 LYS A 26 16.118 -8.296 -1.782 1.00 4.21 H new ATOM 0 HG3 LYS A 26 15.378 -9.516 -2.800 1.00 4.21 H new ATOM 0 HD2 LYS A 26 13.708 -7.517 -1.244 1.00 31.22 H new ATOM 0 HD3 LYS A 26 14.355 -7.137 -2.827 1.00 31.22 H new ATOM 0 HE2 LYS A 26 13.221 -9.173 -3.753 1.00 31.15 H new ATOM 0 HE3 LYS A 26 12.535 -9.490 -2.172 1.00 31.15 H new ATOM 0 HZ1 LYS A 26 10.973 -8.324 -3.586 1.00 42.21 H new ATOM 0 HZ2 LYS A 26 11.399 -7.347 -2.265 1.00 42.21 H new ATOM 0 HZ3 LYS A 26 12.063 -7.040 -3.797 1.00 42.21 H new ATOM 423 N GLY A 27 13.982 -8.935 2.685 1.00 13.40 N ATOM 424 CA GLY A 27 13.231 -9.482 3.800 1.00 55.32 C ATOM 425 C GLY A 27 13.479 -8.729 5.092 1.00 40.44 C ATOM 426 O GLY A 27 12.554 -8.493 5.870 1.00 45.13 O ATOM 0 H GLY A 27 14.084 -7.920 2.694 1.00 13.40 H new ATOM 0 HA2 GLY A 27 12.167 -9.454 3.566 1.00 55.32 H new ATOM 0 HA3 GLY A 27 13.500 -10.529 3.936 1.00 55.32 H new ATOM 430 N LYS A 28 14.732 -8.351 5.323 1.00 53.44 N ATOM 431 CA LYS A 28 15.101 -7.620 6.529 1.00 32.13 C ATOM 432 C LYS A 28 14.538 -6.203 6.501 1.00 51.32 C ATOM 433 O LYS A 28 13.842 -5.783 7.426 1.00 43.41 O ATOM 434 CB LYS A 28 16.623 -7.573 6.676 1.00 44.31 C ATOM 435 CG LYS A 28 17.278 -8.943 6.674 1.00 34.51 C ATOM 436 CD LYS A 28 17.113 -9.641 8.014 1.00 64.52 C ATOM 437 CE LYS A 28 15.904 -10.564 8.017 1.00 11.32 C ATOM 438 NZ LYS A 28 15.318 -10.705 9.379 1.00 53.41 N ATOM 0 H LYS A 28 15.509 -8.539 4.690 1.00 53.44 H new ATOM 0 HA LYS A 28 14.675 -8.144 7.385 1.00 32.13 H new ATOM 0 HB2 LYS A 28 17.040 -6.979 5.862 1.00 44.31 H new ATOM 0 HB3 LYS A 28 16.874 -7.061 7.605 1.00 44.31 H new ATOM 0 HG2 LYS A 28 16.839 -9.556 5.887 1.00 34.51 H new ATOM 0 HG3 LYS A 28 18.339 -8.840 6.444 1.00 34.51 H new ATOM 0 HD2 LYS A 28 18.011 -10.216 8.239 1.00 64.52 H new ATOM 0 HD3 LYS A 28 17.005 -8.896 8.803 1.00 64.52 H new ATOM 0 HE2 LYS A 28 15.148 -10.175 7.335 1.00 11.32 H new ATOM 0 HE3 LYS A 28 16.195 -11.546 7.643 1.00 11.32 H new ATOM 0 HZ1 LYS A 28 14.497 -11.342 9.339 1.00 53.41 H new ATOM 0 HZ2 LYS A 28 16.031 -11.100 10.025 1.00 53.41 H new ATOM 0 HZ3 LYS A 28 15.016 -9.772 9.725 1.00 53.41 H new ATOM 452 N ILE A 29 14.842 -5.472 5.434 1.00 50.42 N ATOM 453 CA ILE A 29 14.364 -4.103 5.285 1.00 53.22 C ATOM 454 C ILE A 29 12.840 -4.055 5.239 1.00 43.33 C ATOM 455 O ILE A 29 12.217 -3.187 5.851 1.00 53.41 O ATOM 456 CB ILE A 29 14.926 -3.446 4.010 1.00 13.32 C ATOM 457 CG1 ILE A 29 16.455 -3.489 4.020 1.00 41.31 C ATOM 458 CG2 ILE A 29 14.431 -2.012 3.892 1.00 44.25 C ATOM 459 CD1 ILE A 29 17.085 -2.878 2.787 1.00 15.04 C ATOM 0 H ILE A 29 15.417 -5.805 4.660 1.00 50.42 H new ATOM 0 HA ILE A 29 14.717 -3.549 6.155 1.00 53.22 H new ATOM 0 HB ILE A 29 14.572 -4.005 3.144 1.00 13.32 H new ATOM 0 HG12 ILE A 29 16.819 -2.963 4.903 1.00 41.31 H new ATOM 0 HG13 ILE A 29 16.781 -4.525 4.109 1.00 41.31 H new ATOM 0 HG21 ILE A 29 14.836 -1.561 2.986 1.00 44.25 H new ATOM 0 HG22 ILE A 29 13.342 -2.006 3.845 1.00 44.25 H new ATOM 0 HG23 ILE A 29 14.760 -1.441 4.760 1.00 44.25 H new ATOM 0 HD11 ILE A 29 18.170 -2.943 2.863 1.00 15.04 H new ATOM 0 HD12 ILE A 29 16.750 -3.418 1.902 1.00 15.04 H new ATOM 0 HD13 ILE A 29 16.789 -1.832 2.708 1.00 15.04 H new ATOM 471 N LEU A 30 12.246 -4.994 4.510 1.00 1.55 N ATOM 472 CA LEU A 30 10.794 -5.060 4.386 1.00 62.35 C ATOM 473 C LEU A 30 10.133 -5.143 5.758 1.00 72.45 C ATOM 474 O LEU A 30 8.981 -4.744 5.928 1.00 52.04 O ATOM 475 CB LEU A 30 10.391 -6.268 3.538 1.00 35.11 C ATOM 476 CG LEU A 30 10.382 -6.053 2.024 1.00 22.32 C ATOM 477 CD1 LEU A 30 9.397 -4.958 1.646 1.00 71.30 C ATOM 478 CD2 LEU A 30 11.779 -5.712 1.526 1.00 10.33 C ATOM 0 H LEU A 30 12.747 -5.719 3.997 1.00 1.55 H new ATOM 0 HA LEU A 30 10.453 -4.148 3.895 1.00 62.35 H new ATOM 0 HB2 LEU A 30 11.072 -7.089 3.764 1.00 35.11 H new ATOM 0 HB3 LEU A 30 9.395 -6.586 3.845 1.00 35.11 H new ATOM 0 HG LEU A 30 10.064 -6.980 1.546 1.00 22.32 H new ATOM 0 HD11 LEU A 30 9.405 -4.819 0.565 1.00 71.30 H new ATOM 0 HD12 LEU A 30 8.395 -5.242 1.968 1.00 71.30 H new ATOM 0 HD13 LEU A 30 9.684 -4.026 2.133 1.00 71.30 H new ATOM 0 HD21 LEU A 30 11.754 -5.562 0.447 1.00 10.33 H new ATOM 0 HD22 LEU A 30 12.125 -4.799 2.011 1.00 10.33 H new ATOM 0 HD23 LEU A 30 12.460 -6.530 1.763 1.00 10.33 H new ATOM 490 N ASP A 31 10.870 -5.663 6.733 1.00 12.42 N ATOM 491 CA ASP A 31 10.356 -5.795 8.092 1.00 63.14 C ATOM 492 C ASP A 31 10.306 -4.439 8.788 1.00 1.22 C ATOM 493 O ASP A 31 9.378 -4.153 9.544 1.00 12.34 O ATOM 494 CB ASP A 31 11.225 -6.764 8.896 1.00 50.41 C ATOM 495 CG ASP A 31 10.435 -7.508 9.954 1.00 74.11 C ATOM 496 OD1 ASP A 31 9.338 -8.011 9.631 1.00 30.42 O ATOM 497 OD2 ASP A 31 10.913 -7.588 11.104 1.00 22.44 O ATOM 0 H ASP A 31 11.825 -6.000 6.608 1.00 12.42 H new ATOM 0 HA ASP A 31 9.342 -6.191 8.034 1.00 63.14 H new ATOM 0 HB2 ASP A 31 11.685 -7.483 8.218 1.00 50.41 H new ATOM 0 HB3 ASP A 31 12.035 -6.211 9.373 1.00 50.41 H new ATOM 502 N TRP A 32 11.310 -3.609 8.529 1.00 20.10 N ATOM 503 CA TRP A 32 11.381 -2.283 9.132 1.00 34.13 C ATOM 504 C TRP A 32 10.108 -1.491 8.855 1.00 11.43 C ATOM 505 O TRP A 32 9.736 -0.604 9.626 1.00 24.40 O ATOM 506 CB TRP A 32 12.596 -1.522 8.600 1.00 20.20 C ATOM 507 CG TRP A 32 13.896 -2.008 9.167 1.00 52.22 C ATOM 508 CD1 TRP A 32 14.087 -2.614 10.375 1.00 23.14 C ATOM 509 CD2 TRP A 32 15.184 -1.926 8.548 1.00 3.10 C ATOM 510 NE1 TRP A 32 15.417 -2.914 10.545 1.00 25.03 N ATOM 511 CE2 TRP A 32 16.111 -2.503 9.438 1.00 3.11 C ATOM 512 CE3 TRP A 32 15.645 -1.423 7.328 1.00 21.42 C ATOM 513 CZ2 TRP A 32 17.470 -2.589 9.145 1.00 13.43 C ATOM 514 CZ3 TRP A 32 16.994 -1.509 7.039 1.00 13.03 C ATOM 515 CH2 TRP A 32 17.893 -2.089 7.944 1.00 2.50 C ATOM 0 H TRP A 32 12.086 -3.831 7.905 1.00 20.10 H new ATOM 0 HA TRP A 32 11.483 -2.406 10.210 1.00 34.13 H new ATOM 0 HB2 TRP A 32 12.625 -1.612 7.514 1.00 20.20 H new ATOM 0 HB3 TRP A 32 12.481 -0.463 8.829 1.00 20.20 H new ATOM 0 HD1 TRP A 32 13.307 -2.826 11.092 1.00 23.14 H new ATOM 0 HE1 TRP A 32 15.822 -3.369 11.363 1.00 25.03 H new ATOM 0 HE3 TRP A 32 14.959 -0.975 6.624 1.00 21.42 H new ATOM 0 HZ2 TRP A 32 18.165 -3.035 9.841 1.00 13.43 H new ATOM 0 HZ3 TRP A 32 17.361 -1.123 6.100 1.00 13.03 H new ATOM 0 HH2 TRP A 32 18.941 -2.142 7.688 1.00 2.50 H new ATOM 526 N LEU A 33 9.443 -1.814 7.752 1.00 60.32 N ATOM 527 CA LEU A 33 8.210 -1.132 7.373 1.00 3.04 C ATOM 528 C LEU A 33 7.047 -1.584 8.250 1.00 74.12 C ATOM 529 O LEU A 33 6.319 -0.762 8.805 1.00 4.03 O ATOM 530 CB LEU A 33 7.888 -1.397 5.902 1.00 65.43 C ATOM 531 CG LEU A 33 8.909 -0.880 4.888 1.00 41.15 C ATOM 532 CD1 LEU A 33 8.872 -1.717 3.618 1.00 13.51 C ATOM 533 CD2 LEU A 33 8.650 0.586 4.570 1.00 31.34 C ATOM 0 H LEU A 33 9.737 -2.544 7.103 1.00 60.32 H new ATOM 0 HA LEU A 33 8.356 -0.062 7.518 1.00 3.04 H new ATOM 0 HB2 LEU A 33 7.780 -2.473 5.763 1.00 65.43 H new ATOM 0 HB3 LEU A 33 6.921 -0.947 5.676 1.00 65.43 H new ATOM 0 HG LEU A 33 9.903 -0.966 5.327 1.00 41.15 H new ATOM 0 HD11 LEU A 33 9.605 -1.334 2.908 1.00 13.51 H new ATOM 0 HD12 LEU A 33 9.107 -2.754 3.859 1.00 13.51 H new ATOM 0 HD13 LEU A 33 7.877 -1.664 3.176 1.00 13.51 H new ATOM 0 HD21 LEU A 33 9.386 0.937 3.847 1.00 31.34 H new ATOM 0 HD22 LEU A 33 7.649 0.696 4.152 1.00 31.34 H new ATOM 0 HD23 LEU A 33 8.729 1.176 5.483 1.00 31.34 H new ATOM 545 N ASN A 34 6.878 -2.897 8.370 1.00 5.02 N ATOM 546 CA ASN A 34 5.804 -3.459 9.181 1.00 40.33 C ATOM 547 C ASN A 34 5.967 -3.068 10.646 1.00 0.25 C ATOM 548 O ASN A 34 4.985 -2.835 11.350 1.00 33.43 O ATOM 549 CB ASN A 34 5.780 -4.983 9.047 1.00 12.34 C ATOM 550 CG ASN A 34 5.242 -5.437 7.704 1.00 30.12 C ATOM 551 OD1 ASN A 34 4.161 -5.024 7.284 1.00 31.42 O ATOM 552 ND2 ASN A 34 5.996 -6.292 7.023 1.00 5.05 N ATOM 0 H ASN A 34 7.471 -3.592 7.916 1.00 5.02 H new ATOM 0 HA ASN A 34 4.859 -3.054 8.819 1.00 40.33 H new ATOM 0 HB2 ASN A 34 6.789 -5.373 9.182 1.00 12.34 H new ATOM 0 HB3 ASN A 34 5.166 -5.405 9.843 1.00 12.34 H new ATOM 0 HD21 ASN A 34 5.686 -6.633 6.113 1.00 5.05 H new ATOM 0 HD22 ASN A 34 6.885 -6.608 7.410 1.00 5.05 H new ATOM 559 N ALA A 35 7.215 -2.997 11.099 1.00 34.01 N ATOM 560 CA ALA A 35 7.507 -2.632 12.480 1.00 52.24 C ATOM 561 C ALA A 35 7.491 -1.118 12.662 1.00 14.11 C ATOM 562 O ALA A 35 7.185 -0.616 13.743 1.00 34.51 O ATOM 563 CB ALA A 35 8.852 -3.202 12.903 1.00 64.01 C ATOM 0 H ALA A 35 8.040 -3.187 10.530 1.00 34.01 H new ATOM 0 HA ALA A 35 6.729 -3.057 13.115 1.00 52.24 H new ATOM 0 HB1 ALA A 35 9.057 -2.922 13.936 1.00 64.01 H new ATOM 0 HB2 ALA A 35 8.829 -4.289 12.819 1.00 64.01 H new ATOM 0 HB3 ALA A 35 9.635 -2.805 12.257 1.00 64.01 H new ATOM 569 N GLY A 36 7.823 -0.394 11.597 1.00 31.33 N ATOM 570 CA GLY A 36 7.841 1.055 11.662 1.00 51.42 C ATOM 571 C GLY A 36 7.790 1.697 10.290 1.00 53.54 C ATOM 572 O GLY A 36 8.817 1.844 9.628 1.00 10.31 O ATOM 0 H GLY A 36 8.080 -0.786 10.691 1.00 31.33 H new ATOM 0 HA2 GLY A 36 6.992 1.400 12.253 1.00 51.42 H new ATOM 0 HA3 GLY A 36 8.743 1.381 12.179 1.00 51.42 H new ATOM 576 N GLN A 37 6.591 2.079 9.861 1.00 50.20 N ATOM 577 CA GLN A 37 6.411 2.707 8.557 1.00 34.32 C ATOM 578 C GLN A 37 6.974 4.124 8.552 1.00 24.24 C ATOM 579 O GLN A 37 6.249 5.091 8.782 1.00 45.44 O ATOM 580 CB GLN A 37 4.928 2.734 8.181 1.00 20.34 C ATOM 581 CG GLN A 37 4.520 1.616 7.235 1.00 51.41 C ATOM 582 CD GLN A 37 4.008 2.135 5.906 1.00 42.44 C ATOM 583 OE1 GLN A 37 3.108 2.975 5.859 1.00 62.44 O ATOM 584 NE2 GLN A 37 4.581 1.638 4.816 1.00 74.04 N ATOM 0 H GLN A 37 5.731 1.965 10.397 1.00 50.20 H new ATOM 0 HA GLN A 37 6.956 2.117 7.820 1.00 34.32 H new ATOM 0 HB2 GLN A 37 4.330 2.666 9.090 1.00 20.34 H new ATOM 0 HB3 GLN A 37 4.696 3.693 7.718 1.00 20.34 H new ATOM 0 HG2 GLN A 37 5.375 0.962 7.061 1.00 51.41 H new ATOM 0 HG3 GLN A 37 3.746 1.010 7.707 1.00 51.41 H new ATOM 0 HE21 GLN A 37 5.323 0.944 4.901 1.00 74.04 H new ATOM 0 HE22 GLN A 37 4.279 1.951 3.893 1.00 74.04 H new ATOM 593 N ALA A 38 8.272 4.238 8.290 1.00 3.02 N ATOM 594 CA ALA A 38 8.933 5.537 8.254 1.00 32.10 C ATOM 595 C ALA A 38 9.961 5.599 7.129 1.00 35.01 C ATOM 596 O ALA A 38 10.228 4.597 6.465 1.00 44.43 O ATOM 597 CB ALA A 38 9.594 5.830 9.593 1.00 43.05 C ATOM 0 H ALA A 38 8.887 3.447 8.100 1.00 3.02 H new ATOM 0 HA ALA A 38 8.176 6.297 8.061 1.00 32.10 H new ATOM 0 HB1 ALA A 38 10.084 6.803 9.552 1.00 43.05 H new ATOM 0 HB2 ALA A 38 8.838 5.837 10.378 1.00 43.05 H new ATOM 0 HB3 ALA A 38 10.334 5.060 9.809 1.00 43.05 H new ATOM 603 N ILE A 39 10.532 6.780 6.921 1.00 51.34 N ATOM 604 CA ILE A 39 11.530 6.972 5.876 1.00 23.30 C ATOM 605 C ILE A 39 12.879 7.365 6.470 1.00 72.52 C ATOM 606 O ILE A 39 13.851 6.615 6.377 1.00 3.24 O ATOM 607 CB ILE A 39 11.091 8.051 4.869 1.00 65.02 C ATOM 608 CG1 ILE A 39 9.719 7.708 4.286 1.00 61.31 C ATOM 609 CG2 ILE A 39 12.124 8.192 3.760 1.00 33.21 C ATOM 610 CD1 ILE A 39 8.565 8.280 5.079 1.00 23.34 C ATOM 0 H ILE A 39 10.321 7.618 7.462 1.00 51.34 H new ATOM 0 HA ILE A 39 11.628 6.020 5.355 1.00 23.30 H new ATOM 0 HB ILE A 39 11.014 9.005 5.391 1.00 65.02 H new ATOM 0 HG12 ILE A 39 9.665 8.079 3.263 1.00 61.31 H new ATOM 0 HG13 ILE A 39 9.614 6.624 4.238 1.00 61.31 H new ATOM 0 HG21 ILE A 39 11.800 8.958 3.056 1.00 33.21 H new ATOM 0 HG22 ILE A 39 13.084 8.478 4.191 1.00 33.21 H new ATOM 0 HG23 ILE A 39 12.229 7.241 3.238 1.00 33.21 H new ATOM 0 HD11 ILE A 39 7.624 7.997 4.608 1.00 23.34 H new ATOM 0 HD12 ILE A 39 8.593 7.889 6.096 1.00 23.34 H new ATOM 0 HD13 ILE A 39 8.645 9.367 5.105 1.00 23.34 H new ATOM 622 N ASP A 40 12.929 8.543 7.081 1.00 41.14 N ATOM 623 CA ASP A 40 14.158 9.035 7.693 1.00 52.11 C ATOM 624 C ASP A 40 14.695 8.035 8.712 1.00 44.21 C ATOM 625 O ASP A 40 15.895 7.998 8.986 1.00 71.10 O ATOM 626 CB ASP A 40 13.912 10.386 8.366 1.00 12.13 C ATOM 627 CG ASP A 40 13.768 11.515 7.364 1.00 35.34 C ATOM 628 OD1 ASP A 40 12.774 11.513 6.607 1.00 65.33 O ATOM 629 OD2 ASP A 40 14.647 12.400 7.338 1.00 1.54 O ATOM 0 H ASP A 40 12.133 9.175 7.166 1.00 41.14 H new ATOM 0 HA ASP A 40 14.902 9.160 6.907 1.00 52.11 H new ATOM 0 HB2 ASP A 40 13.009 10.327 8.974 1.00 12.13 H new ATOM 0 HB3 ASP A 40 14.738 10.607 9.042 1.00 12.13 H new ATOM 634 N TRP A 41 13.800 7.228 9.270 1.00 43.32 N ATOM 635 CA TRP A 41 14.185 6.229 10.260 1.00 70.42 C ATOM 636 C TRP A 41 14.766 4.990 9.586 1.00 52.51 C ATOM 637 O TRP A 41 15.558 4.261 10.182 1.00 1.04 O ATOM 638 CB TRP A 41 12.979 5.840 11.117 1.00 24.30 C ATOM 639 CG TRP A 41 13.329 4.930 12.255 1.00 32.54 C ATOM 640 CD1 TRP A 41 13.816 5.296 13.478 1.00 73.33 C ATOM 641 CD2 TRP A 41 13.220 3.502 12.276 1.00 51.11 C ATOM 642 NE1 TRP A 41 14.016 4.182 14.257 1.00 61.32 N ATOM 643 CE2 TRP A 41 13.657 3.069 13.543 1.00 44.01 C ATOM 644 CE3 TRP A 41 12.794 2.548 11.348 1.00 34.13 C ATOM 645 CZ2 TRP A 41 13.681 1.724 13.902 1.00 11.13 C ATOM 646 CZ3 TRP A 41 12.818 1.213 11.706 1.00 11.44 C ATOM 647 CH2 TRP A 41 13.258 0.811 12.974 1.00 1.55 C ATOM 0 H TRP A 41 12.803 7.246 9.054 1.00 43.32 H new ATOM 0 HA TRP A 41 14.952 6.665 10.900 1.00 70.42 H new ATOM 0 HB2 TRP A 41 12.517 6.744 11.513 1.00 24.30 H new ATOM 0 HB3 TRP A 41 12.236 5.352 10.486 1.00 24.30 H new ATOM 0 HD1 TRP A 41 14.015 6.312 13.787 1.00 73.33 H new ATOM 0 HE1 TRP A 41 14.374 4.183 15.212 1.00 61.32 H new ATOM 0 HE3 TRP A 41 12.452 2.848 10.369 1.00 34.13 H new ATOM 0 HZ2 TRP A 41 14.021 1.412 14.878 1.00 11.13 H new ATOM 0 HZ3 TRP A 41 12.492 0.467 10.996 1.00 11.44 H new ATOM 0 HH2 TRP A 41 13.264 -0.240 13.224 1.00 1.55 H new ATOM 658 N VAL A 42 14.367 4.759 8.339 1.00 23.51 N ATOM 659 CA VAL A 42 14.850 3.609 7.584 1.00 71.34 C ATOM 660 C VAL A 42 16.200 3.902 6.938 1.00 15.33 C ATOM 661 O VAL A 42 17.130 3.102 7.029 1.00 64.24 O ATOM 662 CB VAL A 42 13.848 3.196 6.489 1.00 44.24 C ATOM 663 CG1 VAL A 42 14.384 2.016 5.692 1.00 41.31 C ATOM 664 CG2 VAL A 42 12.496 2.866 7.101 1.00 13.32 C ATOM 0 H VAL A 42 13.711 5.352 7.831 1.00 23.51 H new ATOM 0 HA VAL A 42 14.961 2.789 8.293 1.00 71.34 H new ATOM 0 HB VAL A 42 13.717 4.035 5.806 1.00 44.24 H new ATOM 0 HG11 VAL A 42 13.663 1.738 4.923 1.00 41.31 H new ATOM 0 HG12 VAL A 42 15.327 2.293 5.221 1.00 41.31 H new ATOM 0 HG13 VAL A 42 14.546 1.170 6.360 1.00 41.31 H new ATOM 0 HG21 VAL A 42 11.801 2.576 6.313 1.00 13.32 H new ATOM 0 HG22 VAL A 42 12.607 2.043 7.807 1.00 13.32 H new ATOM 0 HG23 VAL A 42 12.109 3.742 7.622 1.00 13.32 H new ATOM 674 N VAL A 43 16.299 5.057 6.287 1.00 61.44 N ATOM 675 CA VAL A 43 17.536 5.458 5.627 1.00 72.22 C ATOM 676 C VAL A 43 18.693 5.519 6.618 1.00 54.21 C ATOM 677 O VAL A 43 19.842 5.259 6.263 1.00 61.40 O ATOM 678 CB VAL A 43 17.387 6.830 4.942 1.00 23.43 C ATOM 679 CG1 VAL A 43 18.672 7.209 4.222 1.00 60.13 C ATOM 680 CG2 VAL A 43 16.209 6.819 3.980 1.00 44.54 C ATOM 0 H VAL A 43 15.538 5.731 6.203 1.00 61.44 H new ATOM 0 HA VAL A 43 17.750 4.704 4.870 1.00 72.22 H new ATOM 0 HB VAL A 43 17.194 7.581 5.708 1.00 23.43 H new ATOM 0 HG11 VAL A 43 18.548 8.181 3.744 1.00 60.13 H new ATOM 0 HG12 VAL A 43 19.490 7.259 4.940 1.00 60.13 H new ATOM 0 HG13 VAL A 43 18.900 6.459 3.465 1.00 60.13 H new ATOM 0 HG21 VAL A 43 16.118 7.796 3.505 1.00 44.54 H new ATOM 0 HG22 VAL A 43 16.370 6.058 3.217 1.00 44.54 H new ATOM 0 HG23 VAL A 43 15.294 6.596 4.528 1.00 44.54 H new ATOM 690 N SER A 44 18.380 5.865 7.863 1.00 44.33 N ATOM 691 CA SER A 44 19.395 5.964 8.906 1.00 54.33 C ATOM 692 C SER A 44 20.070 4.616 9.137 1.00 75.31 C ATOM 693 O SER A 44 21.181 4.546 9.662 1.00 62.05 O ATOM 694 CB SER A 44 18.769 6.464 10.209 1.00 12.32 C ATOM 695 OG SER A 44 19.742 7.068 11.044 1.00 63.33 O ATOM 0 H SER A 44 17.433 6.081 8.174 1.00 44.33 H new ATOM 0 HA SER A 44 20.151 6.677 8.577 1.00 54.33 H new ATOM 0 HB2 SER A 44 17.981 7.183 9.985 1.00 12.32 H new ATOM 0 HB3 SER A 44 18.301 5.631 10.734 1.00 12.32 H new ATOM 0 HG SER A 44 19.316 7.380 11.869 1.00 63.33 H new ATOM 701 N LYS A 45 19.389 3.545 8.742 1.00 40.25 N ATOM 702 CA LYS A 45 19.921 2.197 8.903 1.00 12.22 C ATOM 703 C LYS A 45 20.623 1.733 7.631 1.00 0.21 C ATOM 704 O LYS A 45 20.754 0.534 7.386 1.00 72.42 O ATOM 705 CB LYS A 45 18.796 1.223 9.262 1.00 25.01 C ATOM 706 CG LYS A 45 18.500 1.158 10.750 1.00 12.24 C ATOM 707 CD LYS A 45 17.445 2.175 11.153 1.00 33.54 C ATOM 708 CE LYS A 45 16.720 1.752 12.422 1.00 1.33 C ATOM 709 NZ LYS A 45 17.671 1.416 13.518 1.00 13.22 N ATOM 0 H LYS A 45 18.467 3.585 8.308 1.00 40.25 H new ATOM 0 HA LYS A 45 20.650 2.215 9.713 1.00 12.22 H new ATOM 0 HB2 LYS A 45 17.890 1.517 8.732 1.00 25.01 H new ATOM 0 HB3 LYS A 45 19.063 0.227 8.909 1.00 25.01 H new ATOM 0 HG2 LYS A 45 18.159 0.156 11.011 1.00 12.24 H new ATOM 0 HG3 LYS A 45 19.416 1.340 11.312 1.00 12.24 H new ATOM 0 HD2 LYS A 45 17.915 3.146 11.307 1.00 33.54 H new ATOM 0 HD3 LYS A 45 16.725 2.294 10.344 1.00 33.54 H new ATOM 0 HE2 LYS A 45 16.059 2.555 12.748 1.00 1.33 H new ATOM 0 HE3 LYS A 45 16.090 0.888 12.210 1.00 1.33 H new ATOM 0 HZ1 LYS A 45 17.151 1.331 14.415 1.00 13.22 H new ATOM 0 HZ2 LYS A 45 18.142 0.514 13.304 1.00 13.22 H new ATOM 0 HZ3 LYS A 45 18.384 2.168 13.601 1.00 13.22 H new ATOM 723 N ILE A 46 21.074 2.690 6.827 1.00 10.00 N ATOM 724 CA ILE A 46 21.765 2.378 5.582 1.00 1.22 C ATOM 725 C ILE A 46 23.208 2.871 5.616 1.00 31.32 C ATOM 726 O ILE A 46 24.090 2.288 4.985 1.00 52.12 O ATOM 727 CB ILE A 46 21.050 3.003 4.370 1.00 72.45 C ATOM 728 CG1 ILE A 46 19.598 2.523 4.304 1.00 43.25 C ATOM 729 CG2 ILE A 46 21.787 2.657 3.084 1.00 34.32 C ATOM 730 CD1 ILE A 46 18.824 3.099 3.138 1.00 22.15 C ATOM 0 H ILE A 46 20.973 3.687 7.015 1.00 10.00 H new ATOM 0 HA ILE A 46 21.756 1.293 5.479 1.00 1.22 H new ATOM 0 HB ILE A 46 21.050 4.087 4.485 1.00 72.45 H new ATOM 0 HG12 ILE A 46 19.586 1.435 4.236 1.00 43.25 H new ATOM 0 HG13 ILE A 46 19.093 2.790 5.232 1.00 43.25 H new ATOM 0 HG21 ILE A 46 21.270 3.106 2.236 1.00 34.32 H new ATOM 0 HG22 ILE A 46 22.805 3.043 3.133 1.00 34.32 H new ATOM 0 HG23 ILE A 46 21.815 1.574 2.960 1.00 34.32 H new ATOM 0 HD11 ILE A 46 17.804 2.716 3.154 1.00 22.15 H new ATOM 0 HD12 ILE A 46 18.805 4.186 3.216 1.00 22.15 H new ATOM 0 HD13 ILE A 46 19.305 2.810 2.204 1.00 22.15 H new ATOM 742 N LYS A 47 23.442 3.947 6.359 1.00 25.02 N ATOM 743 CA LYS A 47 24.779 4.518 6.480 1.00 72.34 C ATOM 744 C LYS A 47 25.554 3.854 7.613 1.00 31.32 C ATOM 745 O LYS A 47 26.784 3.860 7.622 1.00 45.22 O ATOM 746 CB LYS A 47 24.691 6.026 6.723 1.00 44.24 C ATOM 747 CG LYS A 47 23.976 6.394 8.011 1.00 41.42 C ATOM 748 CD LYS A 47 22.660 7.102 7.735 1.00 31.02 C ATOM 749 CE LYS A 47 22.884 8.523 7.240 1.00 71.40 C ATOM 750 NZ LYS A 47 23.232 9.449 8.352 1.00 12.44 N ATOM 0 H LYS A 47 22.723 4.442 6.887 1.00 25.02 H new ATOM 0 HA LYS A 47 25.310 4.337 5.546 1.00 72.34 H new ATOM 0 HB2 LYS A 47 25.699 6.441 6.745 1.00 44.24 H new ATOM 0 HB3 LYS A 47 24.173 6.491 5.884 1.00 44.24 H new ATOM 0 HG2 LYS A 47 23.790 5.493 8.595 1.00 41.42 H new ATOM 0 HG3 LYS A 47 24.617 7.038 8.613 1.00 41.42 H new ATOM 0 HD2 LYS A 47 22.093 6.542 6.991 1.00 31.02 H new ATOM 0 HD3 LYS A 47 22.059 7.123 8.644 1.00 31.02 H new ATOM 0 HE2 LYS A 47 23.684 8.528 6.500 1.00 71.40 H new ATOM 0 HE3 LYS A 47 21.984 8.879 6.739 1.00 71.40 H new ATOM 0 HZ1 LYS A 47 23.360 10.410 7.976 1.00 12.44 H new ATOM 0 HZ2 LYS A 47 22.465 9.451 9.055 1.00 12.44 H new ATOM 0 HZ3 LYS A 47 24.114 9.133 8.803 1.00 12.44 H new ATOM 764 N GLN A 48 24.825 3.281 8.566 1.00 65.21 N ATOM 765 CA GLN A 48 25.446 2.612 9.703 1.00 22.12 C ATOM 766 C GLN A 48 25.870 1.194 9.336 1.00 74.52 C ATOM 767 O GLN A 48 26.778 0.629 9.946 1.00 42.21 O ATOM 768 CB GLN A 48 24.482 2.578 10.890 1.00 31.32 C ATOM 769 CG GLN A 48 23.280 1.673 10.672 1.00 51.13 C ATOM 770 CD GLN A 48 22.284 1.740 11.813 1.00 51.34 C ATOM 771 OE1 GLN A 48 21.717 2.796 12.096 1.00 51.14 O ATOM 772 NE2 GLN A 48 22.065 0.610 12.475 1.00 1.51 N ATOM 0 H GLN A 48 23.805 3.267 8.573 1.00 65.21 H new ATOM 0 HA GLN A 48 26.336 3.176 9.982 1.00 22.12 H new ATOM 0 HB2 GLN A 48 25.022 2.244 11.776 1.00 31.32 H new ATOM 0 HB3 GLN A 48 24.132 3.590 11.092 1.00 31.32 H new ATOM 0 HG2 GLN A 48 22.782 1.954 9.744 1.00 51.13 H new ATOM 0 HG3 GLN A 48 23.621 0.645 10.553 1.00 51.13 H new ATOM 0 HE21 GLN A 48 22.557 -0.242 12.206 1.00 1.51 H new ATOM 0 HE22 GLN A 48 21.405 0.594 13.252 1.00 1.51 H new ATOM 781 N ILE A 49 25.205 0.623 8.336 1.00 3.33 N ATOM 782 CA ILE A 49 25.514 -0.729 7.888 1.00 52.22 C ATOM 783 C ILE A 49 26.782 -0.751 7.042 1.00 61.44 C ATOM 784 O ILE A 49 27.826 -1.237 7.480 1.00 32.01 O ATOM 785 CB ILE A 49 24.354 -1.329 7.071 1.00 24.31 C ATOM 786 CG1 ILE A 49 23.065 -1.322 7.894 1.00 15.00 C ATOM 787 CG2 ILE A 49 24.697 -2.743 6.626 1.00 71.24 C ATOM 788 CD1 ILE A 49 23.177 -2.076 9.201 1.00 42.52 C ATOM 0 H ILE A 49 24.450 1.076 7.822 1.00 3.33 H new ATOM 0 HA ILE A 49 25.667 -1.332 8.783 1.00 52.22 H new ATOM 0 HB ILE A 49 24.199 -0.716 6.183 1.00 24.31 H new ATOM 0 HG12 ILE A 49 22.782 -0.290 8.102 1.00 15.00 H new ATOM 0 HG13 ILE A 49 22.262 -1.758 7.300 1.00 15.00 H new ATOM 0 HG21 ILE A 49 23.868 -3.154 6.050 1.00 71.24 H new ATOM 0 HG22 ILE A 49 25.594 -2.722 6.007 1.00 71.24 H new ATOM 0 HG23 ILE A 49 24.875 -3.367 7.502 1.00 71.24 H new ATOM 0 HD11 ILE A 49 22.226 -2.029 9.731 1.00 42.52 H new ATOM 0 HD12 ILE A 49 23.429 -3.117 9.000 1.00 42.52 H new ATOM 0 HD13 ILE A 49 23.957 -1.626 9.815 1.00 42.52 H new ATOM 800 N LEU A 50 26.686 -0.222 5.827 1.00 11.42 N ATOM 801 CA LEU A 50 27.826 -0.179 4.919 1.00 43.44 C ATOM 802 C LEU A 50 28.806 0.917 5.326 1.00 50.42 C ATOM 803 O LEU A 50 29.961 0.643 5.649 1.00 50.24 O ATOM 804 CB LEU A 50 27.351 0.054 3.483 1.00 24.42 C ATOM 805 CG LEU A 50 26.164 -0.793 3.024 1.00 61.43 C ATOM 806 CD1 LEU A 50 25.740 -0.399 1.618 1.00 75.14 C ATOM 807 CD2 LEU A 50 26.511 -2.274 3.083 1.00 53.03 C ATOM 0 H LEU A 50 25.830 0.183 5.448 1.00 11.42 H new ATOM 0 HA LEU A 50 28.339 -1.139 4.975 1.00 43.44 H new ATOM 0 HB2 LEU A 50 27.085 1.105 3.376 1.00 24.42 H new ATOM 0 HB3 LEU A 50 28.188 -0.133 2.810 1.00 24.42 H new ATOM 0 HG LEU A 50 25.328 -0.609 3.699 1.00 61.43 H new ATOM 0 HD11 LEU A 50 24.894 -1.012 1.308 1.00 75.14 H new ATOM 0 HD12 LEU A 50 25.450 0.652 1.606 1.00 75.14 H new ATOM 0 HD13 LEU A 50 26.572 -0.554 0.930 1.00 75.14 H new ATOM 0 HD21 LEU A 50 25.655 -2.862 2.753 1.00 53.03 H new ATOM 0 HD22 LEU A 50 27.362 -2.475 2.432 1.00 53.03 H new ATOM 0 HD23 LEU A 50 26.766 -2.548 4.107 1.00 53.03 H new ATOM 819 N GLY A 51 28.335 2.161 5.310 1.00 62.11 N ATOM 820 CA GLY A 51 29.182 3.279 5.681 1.00 11.45 C ATOM 821 C GLY A 51 29.149 4.397 4.658 1.00 71.33 C ATOM 822 O GLY A 51 30.172 5.024 4.381 1.00 54.11 O ATOM 0 H GLY A 51 27.382 2.414 5.047 1.00 62.11 H new ATOM 0 HA2 GLY A 51 28.863 3.667 6.649 1.00 11.45 H new ATOM 0 HA3 GLY A 51 30.208 2.930 5.800 1.00 11.45 H new ATOM 826 N ILE A 52 27.972 4.645 4.093 1.00 60.00 N ATOM 827 CA ILE A 52 27.811 5.694 3.094 1.00 71.34 C ATOM 828 C ILE A 52 27.878 7.077 3.732 1.00 24.23 C ATOM 829 O ILE A 52 27.395 7.283 4.845 1.00 14.44 O ATOM 830 CB ILE A 52 26.475 5.553 2.340 1.00 11.24 C ATOM 831 CG1 ILE A 52 26.437 6.505 1.143 1.00 12.11 C ATOM 832 CG2 ILE A 52 25.307 5.825 3.277 1.00 25.14 C ATOM 833 CD1 ILE A 52 25.837 5.888 -0.101 1.00 33.13 C ATOM 0 H ILE A 52 27.116 4.134 4.310 1.00 60.00 H new ATOM 0 HA ILE A 52 28.632 5.583 2.386 1.00 71.34 H new ATOM 0 HB ILE A 52 26.389 4.531 1.971 1.00 11.24 H new ATOM 0 HG12 ILE A 52 25.863 7.391 1.412 1.00 12.11 H new ATOM 0 HG13 ILE A 52 27.451 6.837 0.921 1.00 12.11 H new ATOM 0 HG21 ILE A 52 24.370 5.722 2.730 1.00 25.14 H new ATOM 0 HG22 ILE A 52 25.327 5.111 4.100 1.00 25.14 H new ATOM 0 HG23 ILE A 52 25.386 6.838 3.673 1.00 25.14 H new ATOM 0 HD11 ILE A 52 25.842 6.620 -0.909 1.00 33.13 H new ATOM 0 HD12 ILE A 52 26.424 5.018 -0.395 1.00 33.13 H new ATOM 0 HD13 ILE A 52 24.811 5.581 0.104 1.00 33.13 H new ATOM 845 N LYS A 53 28.481 8.023 3.020 1.00 74.24 N ATOM 846 CA LYS A 53 28.610 9.388 3.514 1.00 54.42 C ATOM 847 C LYS A 53 27.623 10.316 2.812 1.00 11.44 C ATOM 848 O LYS A 53 27.885 11.508 2.649 1.00 44.13 O ATOM 849 CB LYS A 53 30.039 9.895 3.306 1.00 54.11 C ATOM 850 CG LYS A 53 31.054 9.247 4.231 1.00 2.31 C ATOM 851 CD LYS A 53 31.167 9.997 5.548 1.00 51.01 C ATOM 852 CE LYS A 53 32.146 9.318 6.494 1.00 53.22 C ATOM 853 NZ LYS A 53 32.486 10.185 7.656 1.00 52.12 N ATOM 0 H LYS A 53 28.888 7.869 2.098 1.00 74.24 H new ATOM 0 HA LYS A 53 28.384 9.385 4.580 1.00 54.42 H new ATOM 0 HB2 LYS A 53 30.333 9.713 2.272 1.00 54.11 H new ATOM 0 HB3 LYS A 53 30.059 10.974 3.458 1.00 54.11 H new ATOM 0 HG2 LYS A 53 30.765 8.214 4.423 1.00 2.31 H new ATOM 0 HG3 LYS A 53 32.028 9.220 3.742 1.00 2.31 H new ATOM 0 HD2 LYS A 53 31.492 11.020 5.359 1.00 51.01 H new ATOM 0 HD3 LYS A 53 30.186 10.057 6.019 1.00 51.01 H new ATOM 0 HE2 LYS A 53 31.716 8.383 6.852 1.00 53.22 H new ATOM 0 HE3 LYS A 53 33.057 9.063 5.952 1.00 53.22 H new ATOM 0 HZ1 LYS A 53 33.155 9.687 8.277 1.00 52.12 H new ATOM 0 HZ2 LYS A 53 32.920 11.067 7.316 1.00 52.12 H new ATOM 0 HZ3 LYS A 53 31.621 10.408 8.188 1.00 52.12 H new TER 867 LYS A 53