USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 510 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 NoAdj : A 12 ASNHD21 : A 12 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 12 ASNHD22 : A 12 ASN OD1 : A 101 CACA :(metal ligand) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= -3.4! (180deg=-3.93!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.109 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -139:sc= -0.306 (180deg=-2.06!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -2.5 X(o=-2.5,f=-2.3) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.0364 X(o=0.036,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 85:sc= 0.14 USER MOD Single : A 50 ASN : amide:sc= -7.24! C(o=-7.2!,f=-15!) USER MOD Single : A 55 GLN : amide:sc= -0.014 K(o=-0.014,f=-1.3) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 60 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00777) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -54:sc= 0.914 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.685 0.866 -0.246 1.00 0.00 N ATOM 2 CA MET A 1 1.398 0.926 -1.516 1.00 52.33 C ATOM 3 C MET A 1 1.626 2.374 -1.943 1.00 32.23 C ATOM 4 O MET A 1 1.739 2.669 -3.132 1.00 11.41 O ATOM 5 CB MET A 1 0.616 0.182 -2.600 1.00 62.34 C ATOM 6 CG MET A 1 0.169 -1.210 -2.179 1.00 11.23 C ATOM 7 SD MET A 1 -1.622 -1.347 -2.025 1.00 51.33 S ATOM 8 CE MET A 1 -1.803 -3.103 -1.724 1.00 3.21 C ATOM 0 H1 MET A 1 0.009 0.076 -0.264 1.00 0.00 H new ATOM 0 H2 MET A 1 1.365 0.722 0.528 1.00 0.00 H new ATOM 0 H3 MET A 1 0.171 1.757 -0.094 1.00 0.00 H new ATOM 0 HA MET A 1 2.368 0.446 -1.383 1.00 52.33 H new ATOM 0 HB2 MET A 1 -0.261 0.770 -2.872 1.00 62.34 H new ATOM 0 HB3 MET A 1 1.236 0.101 -3.493 1.00 62.34 H new ATOM 0 HG2 MET A 1 0.524 -1.938 -2.909 1.00 11.23 H new ATOM 0 HG3 MET A 1 0.632 -1.463 -1.225 1.00 11.23 H new ATOM 0 HE1 MET A 1 -2.859 -3.345 -1.607 1.00 3.21 H new ATOM 0 HE2 MET A 1 -1.394 -3.661 -2.567 1.00 3.21 H new ATOM 0 HE3 MET A 1 -1.266 -3.374 -0.815 1.00 3.21 H new ATOM 18 N ALA A 2 1.693 3.271 -0.964 1.00 34.34 N ATOM 19 CA ALA A 2 1.910 4.685 -1.238 1.00 43.50 C ATOM 20 C ALA A 2 1.991 5.489 0.055 1.00 41.31 C ATOM 21 O ALA A 2 2.068 4.922 1.145 1.00 3.31 O ATOM 22 CB ALA A 2 0.801 5.226 -2.129 1.00 43.42 C ATOM 0 H ALA A 2 1.600 3.042 0.026 1.00 34.34 H new ATOM 0 HA ALA A 2 2.862 4.787 -1.759 1.00 43.50 H new ATOM 0 HB1 ALA A 2 0.976 6.284 -2.326 1.00 43.42 H new ATOM 0 HB2 ALA A 2 0.792 4.678 -3.071 1.00 43.42 H new ATOM 0 HB3 ALA A 2 -0.160 5.104 -1.629 1.00 43.42 H new ATOM 28 N GLU A 3 1.975 6.812 -0.073 1.00 42.24 N ATOM 29 CA GLU A 3 2.049 7.692 1.087 1.00 54.31 C ATOM 30 C GLU A 3 0.655 8.002 1.625 1.00 73.24 C ATOM 31 O GLU A 3 0.499 8.413 2.774 1.00 12.12 O ATOM 32 CB GLU A 3 2.766 8.994 0.723 1.00 72.24 C ATOM 33 CG GLU A 3 4.035 8.784 -0.087 1.00 72.52 C ATOM 34 CD GLU A 3 3.855 9.127 -1.554 1.00 24.35 C ATOM 35 OE1 GLU A 3 3.140 8.381 -2.255 1.00 64.13 O ATOM 36 OE2 GLU A 3 4.430 10.143 -1.998 1.00 40.12 O ATOM 0 H GLU A 3 1.911 7.298 -0.968 1.00 42.24 H new ATOM 0 HA GLU A 3 2.615 7.178 1.864 1.00 54.31 H new ATOM 0 HB2 GLU A 3 2.084 9.628 0.157 1.00 72.24 H new ATOM 0 HB3 GLU A 3 3.014 9.531 1.639 1.00 72.24 H new ATOM 0 HG2 GLU A 3 4.834 9.397 0.330 1.00 72.52 H new ATOM 0 HG3 GLU A 3 4.351 7.745 0.003 1.00 72.52 H new ATOM 43 N ALA A 4 -0.356 7.800 0.786 1.00 62.23 N ATOM 44 CA ALA A 4 -1.736 8.054 1.176 1.00 55.13 C ATOM 45 C ALA A 4 -2.082 7.332 2.473 1.00 34.31 C ATOM 46 O ALA A 4 -2.967 7.757 3.217 1.00 54.55 O ATOM 47 CB ALA A 4 -2.686 7.632 0.065 1.00 21.50 C ATOM 0 H ALA A 4 -0.244 7.461 -0.169 1.00 62.23 H new ATOM 0 HA ALA A 4 -1.847 9.125 1.346 1.00 55.13 H new ATOM 0 HB1 ALA A 4 -3.714 7.828 0.371 1.00 21.50 H new ATOM 0 HB2 ALA A 4 -2.463 8.198 -0.839 1.00 21.50 H new ATOM 0 HB3 ALA A 4 -2.563 6.567 -0.134 1.00 21.50 H new ATOM 53 N LEU A 5 -1.380 6.237 2.740 1.00 22.42 N ATOM 54 CA LEU A 5 -1.613 5.453 3.949 1.00 64.24 C ATOM 55 C LEU A 5 -1.327 6.281 5.198 1.00 60.43 C ATOM 56 O LEU A 5 -2.028 6.170 6.203 1.00 31.14 O ATOM 57 CB LEU A 5 -0.739 4.198 3.943 1.00 22.25 C ATOM 58 CG LEU A 5 -0.543 3.523 2.586 1.00 62.21 C ATOM 59 CD1 LEU A 5 0.203 2.207 2.747 1.00 64.43 C ATOM 60 CD2 LEU A 5 -1.884 3.297 1.904 1.00 31.11 C ATOM 0 H LEU A 5 -0.644 5.871 2.136 1.00 22.42 H new ATOM 0 HA LEU A 5 -2.662 5.157 3.964 1.00 64.24 H new ATOM 0 HB2 LEU A 5 0.241 4.460 4.341 1.00 22.25 H new ATOM 0 HB3 LEU A 5 -1.177 3.472 4.628 1.00 22.25 H new ATOM 0 HG LEU A 5 0.056 4.182 1.957 1.00 62.21 H new ATOM 0 HD11 LEU A 5 0.333 1.741 1.770 1.00 64.43 H new ATOM 0 HD12 LEU A 5 1.180 2.395 3.193 1.00 64.43 H new ATOM 0 HD13 LEU A 5 -0.369 1.541 3.393 1.00 64.43 H new ATOM 0 HD21 LEU A 5 -1.725 2.816 0.939 1.00 31.11 H new ATOM 0 HD22 LEU A 5 -2.507 2.658 2.530 1.00 31.11 H new ATOM 0 HD23 LEU A 5 -2.382 4.255 1.754 1.00 31.11 H new ATOM 72 N PHE A 6 -0.292 7.112 5.125 1.00 14.43 N ATOM 73 CA PHE A 6 0.086 7.960 6.250 1.00 40.24 C ATOM 74 C PHE A 6 -1.040 8.927 6.606 1.00 40.32 C ATOM 75 O PHE A 6 -1.423 9.052 7.770 1.00 64.35 O ATOM 76 CB PHE A 6 1.360 8.742 5.920 1.00 10.14 C ATOM 77 CG PHE A 6 1.604 9.906 6.838 1.00 34.31 C ATOM 78 CD1 PHE A 6 0.931 11.103 6.655 1.00 44.24 C ATOM 79 CD2 PHE A 6 2.505 9.802 7.886 1.00 72.12 C ATOM 80 CE1 PHE A 6 1.154 12.175 7.498 1.00 45.12 C ATOM 81 CE2 PHE A 6 2.732 10.871 8.733 1.00 73.21 C ATOM 82 CZ PHE A 6 2.055 12.058 8.538 1.00 53.10 C ATOM 0 H PHE A 6 0.299 7.216 4.300 1.00 14.43 H new ATOM 0 HA PHE A 6 0.274 7.317 7.110 1.00 40.24 H new ATOM 0 HB2 PHE A 6 2.214 8.066 5.968 1.00 10.14 H new ATOM 0 HB3 PHE A 6 1.298 9.105 4.894 1.00 10.14 H new ATOM 0 HD1 PHE A 6 0.224 11.199 5.844 1.00 44.24 H new ATOM 0 HD2 PHE A 6 3.036 8.875 8.043 1.00 72.12 H new ATOM 0 HE1 PHE A 6 0.624 13.103 7.344 1.00 45.12 H new ATOM 0 HE2 PHE A 6 3.437 10.777 9.545 1.00 73.21 H new ATOM 0 HZ PHE A 6 2.230 12.895 9.198 1.00 53.10 H new ATOM 92 N LYS A 7 -1.566 9.609 5.595 1.00 54.43 N ATOM 93 CA LYS A 7 -2.649 10.566 5.798 1.00 32.43 C ATOM 94 C LYS A 7 -3.971 9.845 6.049 1.00 45.41 C ATOM 95 O LYS A 7 -4.863 10.379 6.706 1.00 24.12 O ATOM 96 CB LYS A 7 -2.780 11.485 4.582 1.00 32.41 C ATOM 97 CG LYS A 7 -1.449 11.994 4.058 1.00 71.34 C ATOM 98 CD LYS A 7 -1.636 12.933 2.878 1.00 72.14 C ATOM 99 CE LYS A 7 -2.043 14.326 3.332 1.00 61.00 C ATOM 100 NZ LYS A 7 -3.426 14.669 2.899 1.00 42.40 N ATOM 0 H LYS A 7 -1.261 9.517 4.626 1.00 54.43 H new ATOM 0 HA LYS A 7 -2.410 11.167 6.675 1.00 32.43 H new ATOM 0 HB2 LYS A 7 -3.293 10.948 3.785 1.00 32.41 H new ATOM 0 HB3 LYS A 7 -3.406 12.337 4.847 1.00 32.41 H new ATOM 0 HG2 LYS A 7 -0.917 12.512 4.856 1.00 71.34 H new ATOM 0 HG3 LYS A 7 -0.828 11.150 3.757 1.00 71.34 H new ATOM 0 HD2 LYS A 7 -0.709 12.992 2.308 1.00 72.14 H new ATOM 0 HD3 LYS A 7 -2.397 12.531 2.209 1.00 72.14 H new ATOM 0 HE2 LYS A 7 -1.977 14.388 4.418 1.00 61.00 H new ATOM 0 HE3 LYS A 7 -1.344 15.058 2.928 1.00 61.00 H new ATOM 0 HZ1 LYS A 7 -3.665 15.626 3.228 1.00 42.40 H new ATOM 0 HZ2 LYS A 7 -3.483 14.635 1.861 1.00 42.40 H new ATOM 0 HZ3 LYS A 7 -4.096 13.986 3.305 1.00 42.40 H new ATOM 114 N GLU A 8 -4.087 8.630 5.522 1.00 2.21 N ATOM 115 CA GLU A 8 -5.299 7.838 5.691 1.00 41.12 C ATOM 116 C GLU A 8 -5.503 7.461 7.155 1.00 33.14 C ATOM 117 O GLU A 8 -6.615 7.539 7.678 1.00 62.51 O ATOM 118 CB GLU A 8 -5.233 6.574 4.831 1.00 20.42 C ATOM 119 CG GLU A 8 -6.527 5.778 4.817 1.00 11.11 C ATOM 120 CD GLU A 8 -7.428 6.151 3.657 1.00 53.05 C ATOM 121 OE1 GLU A 8 -7.159 7.182 3.004 1.00 34.04 O ATOM 122 OE2 GLU A 8 -8.402 5.413 3.400 1.00 33.03 O ATOM 0 H GLU A 8 -3.357 8.173 4.975 1.00 2.21 H new ATOM 0 HA GLU A 8 -6.146 8.444 5.369 1.00 41.12 H new ATOM 0 HB2 GLU A 8 -4.977 6.853 3.809 1.00 20.42 H new ATOM 0 HB3 GLU A 8 -4.428 5.937 5.198 1.00 20.42 H new ATOM 0 HG2 GLU A 8 -6.294 4.714 4.764 1.00 11.11 H new ATOM 0 HG3 GLU A 8 -7.060 5.942 5.754 1.00 11.11 H new ATOM 129 N ILE A 9 -4.422 7.052 7.811 1.00 70.43 N ATOM 130 CA ILE A 9 -4.481 6.663 9.214 1.00 35.32 C ATOM 131 C ILE A 9 -4.757 7.867 10.107 1.00 3.41 C ATOM 132 O ILE A 9 -5.244 7.723 11.229 1.00 54.22 O ATOM 133 CB ILE A 9 -3.173 5.989 9.668 1.00 70.40 C ATOM 134 CG1 ILE A 9 -2.944 4.693 8.886 1.00 24.24 C ATOM 135 CG2 ILE A 9 -3.211 5.712 11.163 1.00 4.34 C ATOM 136 CD1 ILE A 9 -3.946 3.607 9.210 1.00 3.32 C ATOM 0 H ILE A 9 -3.494 6.982 7.393 1.00 70.43 H new ATOM 0 HA ILE A 9 -5.299 5.949 9.309 1.00 35.32 H new ATOM 0 HB ILE A 9 -2.343 6.666 9.465 1.00 70.40 H new ATOM 0 HG12 ILE A 9 -2.988 4.910 7.819 1.00 24.24 H new ATOM 0 HG13 ILE A 9 -1.940 4.324 9.096 1.00 24.24 H new ATOM 0 HG21 ILE A 9 -2.280 5.235 11.469 1.00 4.34 H new ATOM 0 HG22 ILE A 9 -3.333 6.650 11.704 1.00 4.34 H new ATOM 0 HG23 ILE A 9 -4.048 5.051 11.389 1.00 4.34 H new ATOM 0 HD11 ILE A 9 -3.723 2.718 8.620 1.00 3.32 H new ATOM 0 HD12 ILE A 9 -3.887 3.362 10.271 1.00 3.32 H new ATOM 0 HD13 ILE A 9 -4.951 3.957 8.974 1.00 3.32 H new ATOM 148 N ASP A 10 -4.441 9.055 9.602 1.00 1.15 N ATOM 149 CA ASP A 10 -4.657 10.287 10.353 1.00 63.40 C ATOM 150 C ASP A 10 -6.100 10.761 10.216 1.00 31.14 C ATOM 151 O ASP A 10 -6.393 11.681 9.452 1.00 65.22 O ATOM 152 CB ASP A 10 -3.700 11.378 9.870 1.00 31.43 C ATOM 153 CG ASP A 10 -2.569 11.632 10.848 1.00 15.24 C ATOM 154 OD1 ASP A 10 -2.796 11.484 12.067 1.00 4.31 O ATOM 155 OD2 ASP A 10 -1.459 11.977 10.394 1.00 62.22 O ATOM 0 H ASP A 10 -4.035 9.191 8.676 1.00 1.15 H new ATOM 0 HA ASP A 10 -4.460 10.082 11.405 1.00 63.40 H new ATOM 0 HB2 ASP A 10 -3.284 11.090 8.905 1.00 31.43 H new ATOM 0 HB3 ASP A 10 -4.256 12.302 9.715 1.00 31.43 H new ATOM 160 N VAL A 11 -6.999 10.127 10.962 1.00 11.22 N ATOM 161 CA VAL A 11 -8.413 10.484 10.925 1.00 42.13 C ATOM 162 C VAL A 11 -8.632 11.911 11.413 1.00 62.00 C ATOM 163 O VAL A 11 -9.682 12.505 11.175 1.00 75.34 O ATOM 164 CB VAL A 11 -9.257 9.524 11.783 1.00 63.14 C ATOM 165 CG1 VAL A 11 -10.741 9.785 11.574 1.00 43.31 C ATOM 166 CG2 VAL A 11 -8.911 8.077 11.461 1.00 52.14 C ATOM 0 H VAL A 11 -6.774 9.363 11.600 1.00 11.22 H new ATOM 0 HA VAL A 11 -8.732 10.406 9.886 1.00 42.13 H new ATOM 0 HB VAL A 11 -9.025 9.704 12.833 1.00 63.14 H new ATOM 0 HG11 VAL A 11 -11.322 9.097 12.189 1.00 43.31 H new ATOM 0 HG12 VAL A 11 -10.974 10.811 11.859 1.00 43.31 H new ATOM 0 HG13 VAL A 11 -10.993 9.634 10.524 1.00 43.31 H new ATOM 0 HG21 VAL A 11 -9.517 7.412 12.077 1.00 52.14 H new ATOM 0 HG22 VAL A 11 -9.112 7.880 10.408 1.00 52.14 H new ATOM 0 HG23 VAL A 11 -7.855 7.901 11.667 1.00 52.14 H new ATOM 176 N ASN A 12 -7.632 12.457 12.098 1.00 23.45 N ATOM 177 CA ASN A 12 -7.715 13.815 12.621 1.00 12.22 C ATOM 178 C ASN A 12 -7.334 14.835 11.551 1.00 72.44 C ATOM 179 O ASN A 12 -7.369 16.042 11.787 1.00 34.34 O ATOM 180 CB ASN A 12 -6.803 13.973 13.838 1.00 23.11 C ATOM 181 CG ASN A 12 -5.448 13.321 13.634 1.00 34.44 C ATOM 182 OD1 ASN A 12 -4.984 13.171 12.504 1.00 12.32 O ATOM 183 ND2 ASN A 12 -4.809 12.930 14.730 1.00 73.21 N ATOM 0 H ASN A 12 -6.755 11.979 12.304 1.00 23.45 H new ATOM 0 HA ASN A 12 -8.746 13.998 12.922 1.00 12.22 H new ATOM 0 HB2 ASN A 12 -6.665 15.033 14.050 1.00 23.11 H new ATOM 0 HB3 ASN A 12 -7.287 13.534 14.711 1.00 23.11 H new ATOM 0 HD21 ASN A 12 -3.894 12.485 14.656 1.00 73.21 H new ATOM 0 HD22 ASN A 12 -5.233 13.075 15.646 1.00 73.21 H new ATOM 190 N GLY A 13 -6.971 14.339 10.371 1.00 30.24 N ATOM 191 CA GLY A 13 -6.589 15.219 9.283 1.00 71.44 C ATOM 192 C GLY A 13 -5.579 16.265 9.710 1.00 64.42 C ATOM 193 O GLY A 13 -5.701 17.437 9.354 1.00 15.22 O ATOM 0 H GLY A 13 -6.935 13.344 10.150 1.00 30.24 H new ATOM 0 HA2 GLY A 13 -6.171 14.626 8.470 1.00 71.44 H new ATOM 0 HA3 GLY A 13 -7.477 15.715 8.892 1.00 71.44 H new ATOM 197 N ASP A 14 -4.580 15.842 10.476 1.00 1.20 N ATOM 198 CA ASP A 14 -3.544 16.752 10.953 1.00 60.24 C ATOM 199 C ASP A 14 -2.280 16.628 10.107 1.00 31.43 C ATOM 200 O ASP A 14 -1.404 17.490 10.153 1.00 42.22 O ATOM 201 CB ASP A 14 -3.221 16.465 12.420 1.00 43.30 C ATOM 202 CG ASP A 14 -2.887 15.007 12.666 1.00 4.42 C ATOM 203 OD1 ASP A 14 -2.689 14.269 11.678 1.00 42.04 O ATOM 204 OD2 ASP A 14 -2.822 14.605 13.846 1.00 43.10 O ATOM 0 H ASP A 14 -4.465 14.875 10.780 1.00 1.20 H new ATOM 0 HA ASP A 14 -3.920 17.771 10.864 1.00 60.24 H new ATOM 0 HB2 ASP A 14 -2.380 17.085 12.732 1.00 43.30 H new ATOM 0 HB3 ASP A 14 -4.072 16.749 13.038 1.00 43.30 H new ATOM 209 N GLY A 15 -2.194 15.548 9.336 1.00 64.25 N ATOM 210 CA GLY A 15 -1.033 15.331 8.492 1.00 20.42 C ATOM 211 C GLY A 15 0.195 14.934 9.286 1.00 23.41 C ATOM 212 O GLY A 15 1.303 14.898 8.752 1.00 74.21 O ATOM 0 H GLY A 15 -2.907 14.820 9.281 1.00 64.25 H new ATOM 0 HA2 GLY A 15 -1.258 14.552 7.763 1.00 20.42 H new ATOM 0 HA3 GLY A 15 -0.820 16.241 7.931 1.00 20.42 H new ATOM 216 N ALA A 16 -0.001 14.636 10.566 1.00 63.30 N ATOM 217 CA ALA A 16 1.100 14.239 11.435 1.00 30.23 C ATOM 218 C ALA A 16 0.724 13.025 12.277 1.00 23.23 C ATOM 219 O ALA A 16 -0.386 12.939 12.802 1.00 55.12 O ATOM 220 CB ALA A 16 1.509 15.399 12.332 1.00 72.21 C ATOM 0 H ALA A 16 -0.912 14.662 11.024 1.00 63.30 H new ATOM 0 HA ALA A 16 1.946 13.964 10.805 1.00 30.23 H new ATOM 0 HB1 ALA A 16 2.332 15.089 12.976 1.00 72.21 H new ATOM 0 HB2 ALA A 16 1.827 16.240 11.716 1.00 72.21 H new ATOM 0 HB3 ALA A 16 0.661 15.700 12.947 1.00 72.21 H new ATOM 226 N VAL A 17 1.657 12.085 12.403 1.00 51.14 N ATOM 227 CA VAL A 17 1.424 10.875 13.181 1.00 11.11 C ATOM 228 C VAL A 17 2.484 10.706 14.265 1.00 53.35 C ATOM 229 O VAL A 17 3.670 10.566 13.970 1.00 40.13 O ATOM 230 CB VAL A 17 1.418 9.623 12.284 1.00 20.44 C ATOM 231 CG1 VAL A 17 0.292 9.701 11.265 1.00 25.23 C ATOM 232 CG2 VAL A 17 2.763 9.458 11.594 1.00 71.54 C ATOM 0 H VAL A 17 2.581 12.139 11.975 1.00 51.14 H new ATOM 0 HA VAL A 17 0.445 10.982 13.648 1.00 11.11 H new ATOM 0 HB VAL A 17 1.247 8.748 12.911 1.00 20.44 H new ATOM 0 HG11 VAL A 17 0.304 8.808 10.640 1.00 25.23 H new ATOM 0 HG12 VAL A 17 -0.664 9.768 11.784 1.00 25.23 H new ATOM 0 HG13 VAL A 17 0.428 10.583 10.639 1.00 25.23 H new ATOM 0 HG21 VAL A 17 2.742 8.569 10.964 1.00 71.54 H new ATOM 0 HG22 VAL A 17 2.966 10.334 10.978 1.00 71.54 H new ATOM 0 HG23 VAL A 17 3.546 9.353 12.344 1.00 71.54 H new ATOM 242 N SER A 18 2.046 10.719 15.520 1.00 54.21 N ATOM 243 CA SER A 18 2.957 10.570 16.648 1.00 31.22 C ATOM 244 C SER A 18 3.244 9.098 16.925 1.00 31.21 C ATOM 245 O SER A 18 2.697 8.212 16.265 1.00 3.21 O ATOM 246 CB SER A 18 2.367 11.230 17.897 1.00 24.22 C ATOM 247 OG SER A 18 0.985 11.493 17.730 1.00 51.23 O ATOM 0 H SER A 18 1.066 10.831 15.781 1.00 54.21 H new ATOM 0 HA SER A 18 3.895 11.063 16.393 1.00 31.22 H new ATOM 0 HB2 SER A 18 2.515 10.581 18.760 1.00 24.22 H new ATOM 0 HB3 SER A 18 2.895 12.161 18.104 1.00 24.22 H new ATOM 0 HG SER A 18 0.631 11.913 18.542 1.00 51.23 H new ATOM 253 N TYR A 19 4.105 8.843 17.904 1.00 74.35 N ATOM 254 CA TYR A 19 4.467 7.478 18.267 1.00 70.15 C ATOM 255 C TYR A 19 3.224 6.603 18.403 1.00 25.40 C ATOM 256 O TYR A 19 3.191 5.474 17.913 1.00 3.33 O ATOM 257 CB TYR A 19 5.257 7.469 19.576 1.00 34.04 C ATOM 258 CG TYR A 19 4.508 8.081 20.739 1.00 25.42 C ATOM 259 CD1 TYR A 19 4.486 9.456 20.930 1.00 51.04 C ATOM 260 CD2 TYR A 19 3.826 7.282 21.649 1.00 31.20 C ATOM 261 CE1 TYR A 19 3.804 10.020 21.991 1.00 1.02 C ATOM 262 CE2 TYR A 19 3.140 7.836 22.712 1.00 5.10 C ATOM 263 CZ TYR A 19 3.132 9.205 22.880 1.00 44.44 C ATOM 264 OH TYR A 19 2.452 9.761 23.938 1.00 1.21 O ATOM 0 H TYR A 19 4.565 9.564 18.460 1.00 74.35 H new ATOM 0 HA TYR A 19 5.091 7.070 17.472 1.00 70.15 H new ATOM 0 HB2 TYR A 19 5.520 6.441 19.825 1.00 34.04 H new ATOM 0 HB3 TYR A 19 6.191 8.011 19.431 1.00 34.04 H new ATOM 0 HD1 TYR A 19 5.011 10.096 20.237 1.00 51.04 H new ATOM 0 HD2 TYR A 19 3.833 6.209 21.523 1.00 31.20 H new ATOM 0 HE1 TYR A 19 3.797 11.092 22.124 1.00 1.02 H new ATOM 0 HE2 TYR A 19 2.613 7.201 23.408 1.00 5.10 H new ATOM 0 HH TYR A 19 2.033 9.051 24.467 1.00 1.21 H new ATOM 274 N GLU A 20 2.206 7.132 19.072 1.00 14.53 N ATOM 275 CA GLU A 20 0.961 6.400 19.275 1.00 64.24 C ATOM 276 C GLU A 20 0.337 6.010 17.938 1.00 64.31 C ATOM 277 O GLU A 20 -0.073 4.866 17.744 1.00 53.21 O ATOM 278 CB GLU A 20 -0.026 7.241 20.085 1.00 12.12 C ATOM 279 CG GLU A 20 -0.274 8.622 19.498 1.00 33.45 C ATOM 280 CD GLU A 20 -1.067 9.517 20.430 1.00 20.22 C ATOM 281 OE1 GLU A 20 -0.558 9.834 21.525 1.00 2.21 O ATOM 282 OE2 GLU A 20 -2.198 9.901 20.064 1.00 75.44 O ATOM 0 H GLU A 20 2.218 8.065 19.483 1.00 14.53 H new ATOM 0 HA GLU A 20 1.190 5.490 19.830 1.00 64.24 H new ATOM 0 HB2 GLU A 20 -0.975 6.708 20.152 1.00 12.12 H new ATOM 0 HB3 GLU A 20 0.351 7.350 21.102 1.00 12.12 H new ATOM 0 HG2 GLU A 20 0.682 9.094 19.273 1.00 33.45 H new ATOM 0 HG3 GLU A 20 -0.810 8.521 18.554 1.00 33.45 H new ATOM 289 N GLU A 21 0.269 6.969 17.020 1.00 14.23 N ATOM 290 CA GLU A 21 -0.306 6.727 15.702 1.00 32.25 C ATOM 291 C GLU A 21 0.408 5.575 15.000 1.00 33.24 C ATOM 292 O GLU A 21 -0.226 4.722 14.381 1.00 75.05 O ATOM 293 CB GLU A 21 -0.225 7.991 14.845 1.00 4.13 C ATOM 294 CG GLU A 21 -1.182 9.086 15.283 1.00 51.21 C ATOM 295 CD GLU A 21 -2.239 9.389 14.238 1.00 42.33 C ATOM 296 OE1 GLU A 21 -1.940 9.243 13.034 1.00 42.53 O ATOM 297 OE2 GLU A 21 -3.363 9.772 14.623 1.00 21.31 O ATOM 0 H GLU A 21 0.605 7.921 17.165 1.00 14.23 H new ATOM 0 HA GLU A 21 -1.353 6.455 15.835 1.00 32.25 H new ATOM 0 HB2 GLU A 21 0.794 8.377 14.877 1.00 4.13 H new ATOM 0 HB3 GLU A 21 -0.435 7.730 13.808 1.00 4.13 H new ATOM 0 HG2 GLU A 21 -1.669 8.788 16.211 1.00 51.21 H new ATOM 0 HG3 GLU A 21 -0.617 9.993 15.497 1.00 51.21 H new ATOM 304 N VAL A 22 1.733 5.559 15.103 1.00 42.01 N ATOM 305 CA VAL A 22 2.536 4.513 14.479 1.00 73.32 C ATOM 306 C VAL A 22 2.183 3.140 15.041 1.00 13.31 C ATOM 307 O VAL A 22 1.851 2.219 14.297 1.00 61.22 O ATOM 308 CB VAL A 22 4.041 4.766 14.679 1.00 41.43 C ATOM 309 CG1 VAL A 22 4.852 3.573 14.197 1.00 21.02 C ATOM 310 CG2 VAL A 22 4.468 6.037 13.960 1.00 14.52 C ATOM 0 H VAL A 22 2.273 6.258 15.612 1.00 42.01 H new ATOM 0 HA VAL A 22 2.310 4.535 13.413 1.00 73.32 H new ATOM 0 HB VAL A 22 4.231 4.897 15.744 1.00 41.43 H new ATOM 0 HG11 VAL A 22 5.914 3.770 14.346 1.00 21.02 H new ATOM 0 HG12 VAL A 22 4.565 2.686 14.761 1.00 21.02 H new ATOM 0 HG13 VAL A 22 4.660 3.407 13.137 1.00 21.02 H new ATOM 0 HG21 VAL A 22 5.535 6.200 14.112 1.00 14.52 H new ATOM 0 HG22 VAL A 22 4.265 5.938 12.894 1.00 14.52 H new ATOM 0 HG23 VAL A 22 3.911 6.885 14.358 1.00 14.52 H new ATOM 320 N LYS A 23 2.257 3.012 16.362 1.00 31.11 N ATOM 321 CA LYS A 23 1.944 1.753 17.026 1.00 34.44 C ATOM 322 C LYS A 23 0.543 1.275 16.656 1.00 0.13 C ATOM 323 O LYS A 23 0.299 0.075 16.530 1.00 12.01 O ATOM 324 CB LYS A 23 2.054 1.913 18.545 1.00 63.41 C ATOM 325 CG LYS A 23 3.220 1.152 19.153 1.00 62.40 C ATOM 326 CD LYS A 23 2.906 -0.328 19.298 1.00 52.31 C ATOM 327 CE LYS A 23 1.816 -0.567 20.332 1.00 62.21 C ATOM 328 NZ LYS A 23 2.356 -1.192 21.572 1.00 73.04 N ATOM 0 H LYS A 23 2.531 3.765 16.993 1.00 31.11 H new ATOM 0 HA LYS A 23 2.664 1.006 16.691 1.00 34.44 H new ATOM 0 HB2 LYS A 23 2.157 2.971 18.784 1.00 63.41 H new ATOM 0 HB3 LYS A 23 1.127 1.571 19.006 1.00 63.41 H new ATOM 0 HG2 LYS A 23 4.103 1.278 18.527 1.00 62.40 H new ATOM 0 HG3 LYS A 23 3.459 1.571 20.130 1.00 62.40 H new ATOM 0 HD2 LYS A 23 2.590 -0.730 18.335 1.00 52.31 H new ATOM 0 HD3 LYS A 23 3.809 -0.866 19.588 1.00 52.31 H new ATOM 0 HE2 LYS A 23 1.338 0.380 20.581 1.00 62.21 H new ATOM 0 HE3 LYS A 23 1.046 -1.211 19.906 1.00 62.21 H new ATOM 0 HZ1 LYS A 23 1.696 -1.922 21.908 1.00 73.04 H new ATOM 0 HZ2 LYS A 23 3.279 -1.626 21.368 1.00 73.04 H new ATOM 0 HZ3 LYS A 23 2.470 -0.464 22.306 1.00 73.04 H new ATOM 342 N ALA A 24 -0.373 2.222 16.481 1.00 32.24 N ATOM 343 CA ALA A 24 -1.747 1.898 16.122 1.00 74.45 C ATOM 344 C ALA A 24 -1.826 1.329 14.708 1.00 32.11 C ATOM 345 O ALA A 24 -2.539 0.357 14.458 1.00 44.03 O ATOM 346 CB ALA A 24 -2.632 3.130 16.246 1.00 24.33 C ATOM 0 H ALA A 24 -0.188 3.220 16.582 1.00 32.24 H new ATOM 0 HA ALA A 24 -2.105 1.136 16.814 1.00 74.45 H new ATOM 0 HB1 ALA A 24 -3.655 2.872 15.974 1.00 24.33 H new ATOM 0 HB2 ALA A 24 -2.610 3.492 17.274 1.00 24.33 H new ATOM 0 HB3 ALA A 24 -2.265 3.910 15.579 1.00 24.33 H new ATOM 352 N PHE A 25 -1.090 1.942 13.788 1.00 43.12 N ATOM 353 CA PHE A 25 -1.077 1.499 12.398 1.00 21.14 C ATOM 354 C PHE A 25 -0.790 0.003 12.308 1.00 10.14 C ATOM 355 O PHE A 25 -1.533 -0.746 11.674 1.00 25.52 O ATOM 356 CB PHE A 25 -0.030 2.279 11.601 1.00 55.43 C ATOM 357 CG PHE A 25 -0.324 2.343 10.129 1.00 30.04 C ATOM 358 CD1 PHE A 25 -1.299 1.534 9.568 1.00 2.54 C ATOM 359 CD2 PHE A 25 0.376 3.211 9.307 1.00 5.11 C ATOM 360 CE1 PHE A 25 -1.570 1.591 8.214 1.00 51.32 C ATOM 361 CE2 PHE A 25 0.109 3.273 7.953 1.00 61.35 C ATOM 362 CZ PHE A 25 -0.866 2.462 7.405 1.00 63.30 C ATOM 0 H PHE A 25 -0.494 2.747 13.979 1.00 43.12 H new ATOM 0 HA PHE A 25 -2.062 1.689 11.973 1.00 21.14 H new ATOM 0 HB2 PHE A 25 0.034 3.293 11.995 1.00 55.43 H new ATOM 0 HB3 PHE A 25 0.946 1.817 11.749 1.00 55.43 H new ATOM 0 HD1 PHE A 25 -1.853 0.852 10.195 1.00 2.54 H new ATOM 0 HD2 PHE A 25 1.140 3.847 9.730 1.00 5.11 H new ATOM 0 HE1 PHE A 25 -2.332 0.955 7.788 1.00 51.32 H new ATOM 0 HE2 PHE A 25 0.662 3.955 7.324 1.00 61.35 H new ATOM 0 HZ PHE A 25 -1.077 2.509 6.347 1.00 63.30 H new ATOM 372 N VAL A 26 0.295 -0.425 12.946 1.00 22.03 N ATOM 373 CA VAL A 26 0.682 -1.831 12.940 1.00 12.00 C ATOM 374 C VAL A 26 -0.297 -2.674 13.750 1.00 61.23 C ATOM 375 O VAL A 26 -0.499 -3.854 13.465 1.00 60.31 O ATOM 376 CB VAL A 26 2.101 -2.025 13.504 1.00 3.04 C ATOM 377 CG1 VAL A 26 2.048 -2.305 14.999 1.00 75.10 C ATOM 378 CG2 VAL A 26 2.818 -3.149 12.769 1.00 15.42 C ATOM 0 H VAL A 26 0.922 0.182 13.474 1.00 22.03 H new ATOM 0 HA VAL A 26 0.665 -2.160 11.901 1.00 12.00 H new ATOM 0 HB VAL A 26 2.663 -1.104 13.350 1.00 3.04 H new ATOM 0 HG11 VAL A 26 3.060 -2.439 15.380 1.00 75.10 H new ATOM 0 HG12 VAL A 26 1.576 -1.466 15.510 1.00 75.10 H new ATOM 0 HG13 VAL A 26 1.469 -3.211 15.179 1.00 75.10 H new ATOM 0 HG21 VAL A 26 3.820 -3.272 13.181 1.00 15.42 H new ATOM 0 HG22 VAL A 26 2.259 -4.077 12.890 1.00 15.42 H new ATOM 0 HG23 VAL A 26 2.889 -2.904 11.709 1.00 15.42 H new ATOM 388 N SER A 27 -0.901 -2.060 14.763 1.00 72.05 N ATOM 389 CA SER A 27 -1.857 -2.755 15.617 1.00 2.32 C ATOM 390 C SER A 27 -3.087 -3.180 14.823 1.00 75.43 C ATOM 391 O SER A 27 -3.793 -4.115 15.201 1.00 21.44 O ATOM 392 CB SER A 27 -2.274 -1.858 16.785 1.00 22.30 C ATOM 393 OG SER A 27 -1.534 -2.166 17.953 1.00 34.34 O ATOM 0 H SER A 27 -0.745 -1.083 15.012 1.00 72.05 H new ATOM 0 HA SER A 27 -1.373 -3.650 16.009 1.00 2.32 H new ATOM 0 HB2 SER A 27 -2.120 -0.813 16.518 1.00 22.30 H new ATOM 0 HB3 SER A 27 -3.339 -1.983 16.982 1.00 22.30 H new ATOM 0 HG SER A 27 -1.817 -1.578 18.684 1.00 34.34 H new ATOM 399 N LYS A 28 -3.340 -2.486 13.717 1.00 23.41 N ATOM 400 CA LYS A 28 -4.483 -2.791 12.867 1.00 73.23 C ATOM 401 C LYS A 28 -4.246 -4.073 12.074 1.00 13.24 C ATOM 402 O LYS A 28 -5.145 -4.571 11.395 1.00 24.05 O ATOM 403 CB LYS A 28 -4.756 -1.630 11.908 1.00 61.42 C ATOM 404 CG LYS A 28 -5.379 -0.419 12.581 1.00 44.23 C ATOM 405 CD LYS A 28 -6.782 -0.719 13.079 1.00 14.22 C ATOM 406 CE LYS A 28 -7.717 -1.071 11.933 1.00 51.55 C ATOM 407 NZ LYS A 28 -9.148 -0.898 12.310 1.00 22.31 N ATOM 0 H LYS A 28 -2.767 -1.708 13.390 1.00 23.41 H new ATOM 0 HA LYS A 28 -5.352 -2.937 13.509 1.00 73.23 H new ATOM 0 HB2 LYS A 28 -3.820 -1.332 11.436 1.00 61.42 H new ATOM 0 HB3 LYS A 28 -5.418 -1.974 11.113 1.00 61.42 H new ATOM 0 HG2 LYS A 28 -4.754 -0.105 13.417 1.00 44.23 H new ATOM 0 HG3 LYS A 28 -5.412 0.413 11.877 1.00 44.23 H new ATOM 0 HD2 LYS A 28 -6.748 -1.545 13.789 1.00 14.22 H new ATOM 0 HD3 LYS A 28 -7.172 0.146 13.615 1.00 14.22 H new ATOM 0 HE2 LYS A 28 -7.490 -0.442 11.073 1.00 51.55 H new ATOM 0 HE3 LYS A 28 -7.544 -2.103 11.627 1.00 51.55 H new ATOM 0 HZ1 LYS A 28 -9.753 -1.148 11.502 1.00 22.31 H new ATOM 0 HZ2 LYS A 28 -9.372 -1.517 13.115 1.00 22.31 H new ATOM 0 HZ3 LYS A 28 -9.319 0.092 12.577 1.00 22.31 H new ATOM 421 N LYS A 29 -3.032 -4.604 12.167 1.00 22.43 N ATOM 422 CA LYS A 29 -2.676 -5.830 11.461 1.00 33.14 C ATOM 423 C LYS A 29 -2.531 -6.995 12.435 1.00 33.22 C ATOM 424 O LYS A 29 -2.677 -8.157 12.053 1.00 32.14 O ATOM 425 CB LYS A 29 -1.373 -5.635 10.684 1.00 73.43 C ATOM 426 CG LYS A 29 -1.284 -4.297 9.971 1.00 24.33 C ATOM 427 CD LYS A 29 -2.491 -4.059 9.080 1.00 41.40 C ATOM 428 CE LYS A 29 -2.607 -5.124 8.001 1.00 42.45 C ATOM 429 NZ LYS A 29 -3.191 -4.578 6.744 1.00 73.11 N ATOM 0 H LYS A 29 -2.277 -4.205 12.725 1.00 22.43 H new ATOM 0 HA LYS A 29 -3.478 -6.063 10.760 1.00 33.14 H new ATOM 0 HB2 LYS A 29 -0.532 -5.727 11.372 1.00 73.43 H new ATOM 0 HB3 LYS A 29 -1.274 -6.435 9.951 1.00 73.43 H new ATOM 0 HG2 LYS A 29 -1.210 -3.496 10.706 1.00 24.33 H new ATOM 0 HG3 LYS A 29 -0.375 -4.263 9.370 1.00 24.33 H new ATOM 0 HD2 LYS A 29 -3.397 -4.054 9.686 1.00 41.40 H new ATOM 0 HD3 LYS A 29 -2.413 -3.076 8.615 1.00 41.40 H new ATOM 0 HE2 LYS A 29 -1.621 -5.539 7.793 1.00 42.45 H new ATOM 0 HE3 LYS A 29 -3.228 -5.943 8.364 1.00 42.45 H new ATOM 0 HZ1 LYS A 29 -3.254 -5.334 6.033 1.00 73.11 H new ATOM 0 HZ2 LYS A 29 -4.142 -4.204 6.937 1.00 73.11 H new ATOM 0 HZ3 LYS A 29 -2.585 -3.813 6.383 1.00 73.11 H new ATOM 443 N ARG A 30 -2.245 -6.677 13.693 1.00 40.11 N ATOM 444 CA ARG A 30 -2.081 -7.699 14.721 1.00 42.34 C ATOM 445 C ARG A 30 -1.866 -7.061 16.091 1.00 60.24 C ATOM 446 O ARG A 30 -1.960 -5.844 16.242 1.00 34.21 O ATOM 447 CB ARG A 30 -0.901 -8.610 14.380 1.00 71.44 C ATOM 448 CG ARG A 30 0.391 -7.857 14.106 1.00 21.33 C ATOM 449 CD ARG A 30 1.076 -8.366 12.847 1.00 11.04 C ATOM 450 NE ARG A 30 1.145 -9.824 12.813 1.00 64.15 N ATOM 451 CZ ARG A 30 1.322 -10.526 11.698 1.00 15.22 C ATOM 452 NH1 ARG A 30 1.445 -9.905 10.533 1.00 13.41 N ATOM 453 NH2 ARG A 30 1.373 -11.851 11.748 1.00 4.34 N ATOM 0 H ARG A 30 -2.122 -5.721 14.025 1.00 40.11 H new ATOM 0 HA ARG A 30 -2.993 -8.295 14.755 1.00 42.34 H new ATOM 0 HB2 ARG A 30 -0.739 -9.304 15.204 1.00 71.44 H new ATOM 0 HB3 ARG A 30 -1.156 -9.208 13.505 1.00 71.44 H new ATOM 0 HG2 ARG A 30 0.178 -6.793 14.001 1.00 21.33 H new ATOM 0 HG3 ARG A 30 1.064 -7.965 14.957 1.00 21.33 H new ATOM 0 HD2 ARG A 30 0.536 -8.008 11.971 1.00 11.04 H new ATOM 0 HD3 ARG A 30 2.084 -7.954 12.791 1.00 11.04 H new ATOM 0 HE ARG A 30 1.052 -10.332 13.693 1.00 64.15 H new ATOM 0 HH11 ARG A 30 1.404 -8.887 10.491 1.00 13.41 H new ATOM 0 HH12 ARG A 30 1.581 -10.446 9.679 1.00 13.41 H new ATOM 0 HH21 ARG A 30 1.276 -12.332 12.642 1.00 4.34 H new ATOM 0 HH22 ARG A 30 1.509 -12.389 10.892 1.00 4.34 H new ATOM 467 N ALA A 31 -1.577 -7.894 17.086 1.00 44.43 N ATOM 468 CA ALA A 31 -1.348 -7.411 18.442 1.00 64.52 C ATOM 469 C ALA A 31 0.093 -7.661 18.877 1.00 71.03 C ATOM 470 O ALA A 31 0.428 -8.746 19.353 1.00 53.01 O ATOM 471 CB ALA A 31 -2.316 -8.078 19.410 1.00 45.43 C ATOM 0 H ALA A 31 -1.496 -8.905 16.978 1.00 44.43 H new ATOM 0 HA ALA A 31 -1.523 -6.335 18.453 1.00 64.52 H new ATOM 0 HB1 ALA A 31 -2.134 -7.708 20.419 1.00 45.43 H new ATOM 0 HB2 ALA A 31 -3.340 -7.846 19.118 1.00 45.43 H new ATOM 0 HB3 ALA A 31 -2.168 -9.158 19.387 1.00 45.43 H new ATOM 477 N ILE A 32 0.940 -6.651 18.709 1.00 31.11 N ATOM 478 CA ILE A 32 2.343 -6.762 19.085 1.00 3.42 C ATOM 479 C ILE A 32 2.795 -5.545 19.886 1.00 42.13 C ATOM 480 O ILE A 32 3.047 -4.478 19.326 1.00 2.02 O ATOM 481 CB ILE A 32 3.248 -6.912 17.847 1.00 14.54 C ATOM 482 CG1 ILE A 32 2.837 -8.142 17.035 1.00 33.13 C ATOM 483 CG2 ILE A 32 4.707 -7.010 18.267 1.00 61.14 C ATOM 484 CD1 ILE A 32 3.534 -8.243 15.697 1.00 43.01 C ATOM 0 H ILE A 32 0.679 -5.747 18.315 1.00 31.11 H new ATOM 0 HA ILE A 32 2.434 -7.656 19.702 1.00 3.42 H new ATOM 0 HB ILE A 32 3.130 -6.029 17.219 1.00 14.54 H new ATOM 0 HG12 ILE A 32 3.051 -9.039 17.616 1.00 33.13 H new ATOM 0 HG13 ILE A 32 1.759 -8.117 16.873 1.00 33.13 H new ATOM 0 HG21 ILE A 32 5.334 -7.116 17.382 1.00 61.14 H new ATOM 0 HG22 ILE A 32 4.991 -6.107 18.808 1.00 61.14 H new ATOM 0 HG23 ILE A 32 4.842 -7.877 18.913 1.00 61.14 H new ATOM 0 HD11 ILE A 32 3.194 -9.138 15.176 1.00 43.01 H new ATOM 0 HD12 ILE A 32 3.299 -7.364 15.097 1.00 43.01 H new ATOM 0 HD13 ILE A 32 4.612 -8.300 15.851 1.00 43.01 H new ATOM 496 N LYS A 33 2.898 -5.713 21.200 1.00 33.32 N ATOM 497 CA LYS A 33 3.323 -4.631 22.080 1.00 45.15 C ATOM 498 C LYS A 33 4.843 -4.504 22.091 1.00 31.33 C ATOM 499 O LYS A 33 5.539 -5.315 22.701 1.00 73.51 O ATOM 500 CB LYS A 33 2.810 -4.871 23.502 1.00 63.24 C ATOM 501 CG LYS A 33 3.160 -6.243 24.051 1.00 23.13 C ATOM 502 CD LYS A 33 4.097 -6.145 25.242 1.00 5.43 C ATOM 503 CE LYS A 33 3.386 -5.589 26.467 1.00 4.23 C ATOM 504 NZ LYS A 33 4.330 -4.902 27.393 1.00 62.24 N ATOM 0 H LYS A 33 2.693 -6.590 21.679 1.00 33.32 H new ATOM 0 HA LYS A 33 2.901 -3.700 21.700 1.00 45.15 H new ATOM 0 HB2 LYS A 33 3.224 -4.108 24.162 1.00 63.24 H new ATOM 0 HB3 LYS A 33 1.727 -4.750 23.514 1.00 63.24 H new ATOM 0 HG2 LYS A 33 2.248 -6.761 24.347 1.00 23.13 H new ATOM 0 HG3 LYS A 33 3.627 -6.841 23.268 1.00 23.13 H new ATOM 0 HD2 LYS A 33 4.501 -7.131 25.471 1.00 5.43 H new ATOM 0 HD3 LYS A 33 4.943 -5.505 24.989 1.00 5.43 H new ATOM 0 HE2 LYS A 33 2.613 -4.889 26.151 1.00 4.23 H new ATOM 0 HE3 LYS A 33 2.885 -6.400 26.995 1.00 4.23 H new ATOM 0 HZ1 LYS A 33 3.807 -4.537 28.215 1.00 62.24 H new ATOM 0 HZ2 LYS A 33 5.053 -5.576 27.715 1.00 62.24 H new ATOM 0 HZ3 LYS A 33 4.790 -4.112 26.897 1.00 62.24 H new ATOM 518 N ASN A 34 5.352 -3.480 21.413 1.00 14.03 N ATOM 519 CA ASN A 34 6.790 -3.247 21.346 1.00 61.44 C ATOM 520 C ASN A 34 7.139 -1.850 21.852 1.00 74.45 C ATOM 521 O ASN A 34 6.966 -0.862 21.139 1.00 23.01 O ATOM 522 CB ASN A 34 7.290 -3.422 19.910 1.00 21.01 C ATOM 523 CG ASN A 34 7.121 -4.843 19.409 1.00 44.13 C ATOM 524 OD1 ASN A 34 7.038 -5.786 20.197 1.00 42.02 O ATOM 525 ND2 ASN A 34 7.071 -5.004 18.092 1.00 44.23 N ATOM 0 H ASN A 34 4.790 -2.799 20.903 1.00 14.03 H new ATOM 0 HA ASN A 34 7.282 -3.979 21.986 1.00 61.44 H new ATOM 0 HB2 ASN A 34 6.748 -2.741 19.254 1.00 21.01 H new ATOM 0 HB3 ASN A 34 8.343 -3.144 19.858 1.00 21.01 H new ATOM 0 HD21 ASN A 34 6.960 -5.937 17.696 1.00 44.23 H new ATOM 0 HD22 ASN A 34 7.144 -4.194 17.476 1.00 44.23 H new ATOM 532 N GLU A 35 7.630 -1.778 23.085 1.00 72.02 N ATOM 533 CA GLU A 35 8.002 -0.502 23.684 1.00 32.45 C ATOM 534 C GLU A 35 9.306 0.019 23.088 1.00 25.20 C ATOM 535 O GLU A 35 9.436 1.208 22.797 1.00 34.04 O ATOM 536 CB GLU A 35 8.143 -0.648 25.201 1.00 64.51 C ATOM 537 CG GLU A 35 7.483 0.473 25.985 1.00 11.12 C ATOM 538 CD GLU A 35 8.234 1.786 25.870 1.00 14.12 C ATOM 539 OE1 GLU A 35 8.187 2.402 24.785 1.00 54.41 O ATOM 540 OE2 GLU A 35 8.867 2.197 26.864 1.00 22.15 O ATOM 0 H GLU A 35 7.779 -2.587 23.688 1.00 72.02 H new ATOM 0 HA GLU A 35 7.212 0.217 23.467 1.00 32.45 H new ATOM 0 HB2 GLU A 35 7.708 -1.599 25.508 1.00 64.51 H new ATOM 0 HB3 GLU A 35 9.202 -0.684 25.457 1.00 64.51 H new ATOM 0 HG2 GLU A 35 6.463 0.610 25.627 1.00 11.12 H new ATOM 0 HG3 GLU A 35 7.417 0.187 27.035 1.00 11.12 H new ATOM 547 N GLN A 36 10.269 -0.879 22.910 1.00 61.15 N ATOM 548 CA GLN A 36 11.564 -0.510 22.350 1.00 22.23 C ATOM 549 C GLN A 36 11.447 -0.215 20.858 1.00 5.02 C ATOM 550 O GLN A 36 11.930 0.812 20.378 1.00 22.13 O ATOM 551 CB GLN A 36 12.582 -1.628 22.583 1.00 72.11 C ATOM 552 CG GLN A 36 13.998 -1.124 22.805 1.00 23.01 C ATOM 553 CD GLN A 36 14.984 -1.691 21.802 1.00 54.13 C ATOM 554 OE1 GLN A 36 14.854 -1.473 20.596 1.00 2.43 O ATOM 555 NE2 GLN A 36 15.976 -2.422 22.294 1.00 33.24 N ATOM 0 H GLN A 36 10.177 -1.867 23.145 1.00 61.15 H new ATOM 0 HA GLN A 36 11.906 0.393 22.855 1.00 22.23 H new ATOM 0 HB2 GLN A 36 12.274 -2.214 23.449 1.00 72.11 H new ATOM 0 HB3 GLN A 36 12.575 -2.300 21.725 1.00 72.11 H new ATOM 0 HG2 GLN A 36 14.006 -0.036 22.741 1.00 23.01 H new ATOM 0 HG3 GLN A 36 14.319 -1.387 23.813 1.00 23.01 H new ATOM 0 HE21 GLN A 36 16.045 -2.577 23.300 1.00 33.24 H new ATOM 0 HE22 GLN A 36 16.669 -2.829 21.666 1.00 33.24 H new ATOM 564 N LEU A 37 10.805 -1.121 20.129 1.00 11.03 N ATOM 565 CA LEU A 37 10.626 -0.958 18.691 1.00 72.31 C ATOM 566 C LEU A 37 9.825 0.303 18.382 1.00 70.42 C ATOM 567 O LEU A 37 10.115 1.015 17.419 1.00 61.13 O ATOM 568 CB LEU A 37 9.919 -2.181 18.103 1.00 2.04 C ATOM 569 CG LEU A 37 10.140 -2.431 16.611 1.00 12.21 C ATOM 570 CD1 LEU A 37 11.460 -3.148 16.379 1.00 5.20 C ATOM 571 CD2 LEU A 37 8.986 -3.235 16.029 1.00 54.24 C ATOM 0 H LEU A 37 10.400 -1.976 20.510 1.00 11.03 H new ATOM 0 HA LEU A 37 11.612 -0.862 18.236 1.00 72.31 H new ATOM 0 HB2 LEU A 37 10.247 -3.064 18.651 1.00 2.04 H new ATOM 0 HB3 LEU A 37 8.848 -2.076 18.279 1.00 2.04 H new ATOM 0 HG LEU A 37 10.179 -1.467 16.103 1.00 12.21 H new ATOM 0 HD11 LEU A 37 11.599 -3.317 15.311 1.00 5.20 H new ATOM 0 HD12 LEU A 37 12.278 -2.536 16.759 1.00 5.20 H new ATOM 0 HD13 LEU A 37 11.450 -4.106 16.900 1.00 5.20 H new ATOM 0 HD21 LEU A 37 9.160 -3.404 14.966 1.00 54.24 H new ATOM 0 HD22 LEU A 37 8.916 -4.194 16.542 1.00 54.24 H new ATOM 0 HD23 LEU A 37 8.055 -2.684 16.161 1.00 54.24 H new ATOM 583 N LEU A 38 8.819 0.575 19.205 1.00 40.24 N ATOM 584 CA LEU A 38 7.977 1.753 19.021 1.00 62.43 C ATOM 585 C LEU A 38 8.794 3.033 19.159 1.00 33.05 C ATOM 586 O LEU A 38 8.700 3.933 18.325 1.00 23.40 O ATOM 587 CB LEU A 38 6.834 1.750 20.037 1.00 14.20 C ATOM 588 CG LEU A 38 5.948 2.997 20.054 1.00 24.10 C ATOM 589 CD1 LEU A 38 6.574 4.084 20.915 1.00 71.34 C ATOM 590 CD2 LEU A 38 5.713 3.503 18.638 1.00 2.05 C ATOM 0 H LEU A 38 8.566 -0.003 20.006 1.00 40.24 H new ATOM 0 HA LEU A 38 7.560 1.718 18.015 1.00 62.43 H new ATOM 0 HB2 LEU A 38 6.203 0.883 19.842 1.00 14.20 H new ATOM 0 HB3 LEU A 38 7.259 1.617 21.032 1.00 14.20 H new ATOM 0 HG LEU A 38 4.984 2.730 20.487 1.00 24.10 H new ATOM 0 HD11 LEU A 38 5.930 4.964 20.916 1.00 71.34 H new ATOM 0 HD12 LEU A 38 6.690 3.718 21.935 1.00 71.34 H new ATOM 0 HD13 LEU A 38 7.551 4.350 20.512 1.00 71.34 H new ATOM 0 HD21 LEU A 38 5.081 4.390 18.669 1.00 2.05 H new ATOM 0 HD22 LEU A 38 6.669 3.754 18.178 1.00 2.05 H new ATOM 0 HD23 LEU A 38 5.221 2.727 18.051 1.00 2.05 H new ATOM 602 N GLN A 39 9.596 3.106 20.217 1.00 31.30 N ATOM 603 CA GLN A 39 10.430 4.276 20.463 1.00 32.24 C ATOM 604 C GLN A 39 11.464 4.450 19.355 1.00 53.22 C ATOM 605 O GLN A 39 11.592 5.530 18.776 1.00 74.42 O ATOM 606 CB GLN A 39 11.132 4.152 21.816 1.00 12.25 C ATOM 607 CG GLN A 39 11.034 5.407 22.669 1.00 65.32 C ATOM 608 CD GLN A 39 12.276 6.271 22.580 1.00 4.31 C ATOM 609 OE1 GLN A 39 13.007 6.432 23.558 1.00 61.44 O ATOM 610 NE2 GLN A 39 12.523 6.834 21.403 1.00 61.03 N ATOM 0 H GLN A 39 9.685 2.369 20.917 1.00 31.30 H new ATOM 0 HA GLN A 39 9.785 5.155 20.475 1.00 32.24 H new ATOM 0 HB2 GLN A 39 10.700 3.315 22.365 1.00 12.25 H new ATOM 0 HB3 GLN A 39 12.183 3.916 21.650 1.00 12.25 H new ATOM 0 HG2 GLN A 39 10.168 5.989 22.354 1.00 65.32 H new ATOM 0 HG3 GLN A 39 10.867 5.123 23.708 1.00 65.32 H new ATOM 0 HE21 GLN A 39 11.891 6.674 20.619 1.00 61.03 H new ATOM 0 HE22 GLN A 39 13.345 7.426 21.283 1.00 61.03 H new ATOM 619 N LEU A 40 12.199 3.382 19.066 1.00 51.15 N ATOM 620 CA LEU A 40 13.222 3.418 18.026 1.00 62.52 C ATOM 621 C LEU A 40 12.609 3.747 16.669 1.00 34.13 C ATOM 622 O LEU A 40 13.065 4.656 15.975 1.00 1.45 O ATOM 623 CB LEU A 40 13.952 2.074 17.957 1.00 44.31 C ATOM 624 CG LEU A 40 15.461 2.143 17.720 1.00 23.03 C ATOM 625 CD1 LEU A 40 16.040 0.746 17.559 1.00 60.22 C ATOM 626 CD2 LEU A 40 15.772 2.995 16.498 1.00 55.24 C ATOM 0 H LEU A 40 12.106 2.482 19.536 1.00 51.15 H new ATOM 0 HA LEU A 40 13.936 4.201 18.279 1.00 62.52 H new ATOM 0 HB2 LEU A 40 13.775 1.538 18.890 1.00 44.31 H new ATOM 0 HB3 LEU A 40 13.505 1.481 17.159 1.00 44.31 H new ATOM 0 HG LEU A 40 15.924 2.609 18.590 1.00 23.03 H new ATOM 0 HD11 LEU A 40 17.115 0.815 17.391 1.00 60.22 H new ATOM 0 HD12 LEU A 40 15.850 0.167 18.463 1.00 60.22 H new ATOM 0 HD13 LEU A 40 15.571 0.253 16.707 1.00 60.22 H new ATOM 0 HD21 LEU A 40 16.851 3.032 16.345 1.00 55.24 H new ATOM 0 HD22 LEU A 40 15.296 2.559 15.620 1.00 55.24 H new ATOM 0 HD23 LEU A 40 15.392 4.005 16.652 1.00 55.24 H new ATOM 638 N ILE A 41 11.573 3.003 16.298 1.00 72.44 N ATOM 639 CA ILE A 41 10.895 3.219 15.025 1.00 40.11 C ATOM 640 C ILE A 41 10.270 4.608 14.963 1.00 35.12 C ATOM 641 O ILE A 41 10.197 5.222 13.898 1.00 25.13 O ATOM 642 CB ILE A 41 9.799 2.163 14.785 1.00 10.21 C ATOM 643 CG1 ILE A 41 10.426 0.786 14.564 1.00 63.11 C ATOM 644 CG2 ILE A 41 8.937 2.556 13.594 1.00 45.52 C ATOM 645 CD1 ILE A 41 11.254 0.694 13.301 1.00 13.10 C ATOM 0 H ILE A 41 11.185 2.246 16.860 1.00 72.44 H new ATOM 0 HA ILE A 41 11.652 3.129 14.245 1.00 40.11 H new ATOM 0 HB ILE A 41 9.163 2.114 15.669 1.00 10.21 H new ATOM 0 HG12 ILE A 41 11.055 0.541 15.420 1.00 63.11 H new ATOM 0 HG13 ILE A 41 9.635 0.037 14.525 1.00 63.11 H new ATOM 0 HG21 ILE A 41 8.167 1.800 13.437 1.00 45.52 H new ATOM 0 HG22 ILE A 41 8.466 3.519 13.788 1.00 45.52 H new ATOM 0 HG23 ILE A 41 9.560 2.630 12.703 1.00 45.52 H new ATOM 0 HD11 ILE A 41 11.668 -0.310 13.209 1.00 13.10 H new ATOM 0 HD12 ILE A 41 10.625 0.908 12.437 1.00 13.10 H new ATOM 0 HD13 ILE A 41 12.067 1.418 13.345 1.00 13.10 H new ATOM 657 N PHE A 42 9.820 5.100 16.113 1.00 21.11 N ATOM 658 CA PHE A 42 9.201 6.418 16.191 1.00 5.44 C ATOM 659 C PHE A 42 10.169 7.502 15.721 1.00 73.54 C ATOM 660 O PHE A 42 9.837 8.312 14.856 1.00 44.31 O ATOM 661 CB PHE A 42 8.750 6.709 17.624 1.00 40.20 C ATOM 662 CG PHE A 42 8.367 8.144 17.852 1.00 73.34 C ATOM 663 CD1 PHE A 42 7.377 8.741 17.087 1.00 24.23 C ATOM 664 CD2 PHE A 42 8.997 8.895 18.831 1.00 44.35 C ATOM 665 CE1 PHE A 42 7.022 10.060 17.294 1.00 3.55 C ATOM 666 CE2 PHE A 42 8.646 10.216 19.043 1.00 61.43 C ATOM 667 CZ PHE A 42 7.658 10.798 18.273 1.00 4.14 C ATOM 0 H PHE A 42 9.873 4.606 17.004 1.00 21.11 H new ATOM 0 HA PHE A 42 8.330 6.423 15.535 1.00 5.44 H new ATOM 0 HB2 PHE A 42 7.899 6.071 17.865 1.00 40.20 H new ATOM 0 HB3 PHE A 42 9.553 6.442 18.311 1.00 40.20 H new ATOM 0 HD1 PHE A 42 6.877 8.168 16.320 1.00 24.23 H new ATOM 0 HD2 PHE A 42 9.770 8.444 19.435 1.00 44.35 H new ATOM 0 HE1 PHE A 42 6.249 10.513 16.691 1.00 3.55 H new ATOM 0 HE2 PHE A 42 9.144 10.792 19.809 1.00 61.43 H new ATOM 0 HZ PHE A 42 7.383 11.830 18.436 1.00 4.14 H new ATOM 677 N LYS A 43 11.365 7.509 16.297 1.00 22.22 N ATOM 678 CA LYS A 43 12.382 8.490 15.938 1.00 50.12 C ATOM 679 C LYS A 43 12.952 8.201 14.553 1.00 3.11 C ATOM 680 O LYS A 43 13.340 9.118 13.828 1.00 64.40 O ATOM 681 CB LYS A 43 13.508 8.491 16.974 1.00 21.43 C ATOM 682 CG LYS A 43 13.884 9.879 17.464 1.00 71.41 C ATOM 683 CD LYS A 43 15.280 10.271 17.009 1.00 73.01 C ATOM 684 CE LYS A 43 15.765 11.526 17.717 1.00 1.43 C ATOM 685 NZ LYS A 43 15.557 12.747 16.889 1.00 62.54 N ATOM 0 H LYS A 43 11.655 6.846 17.016 1.00 22.22 H new ATOM 0 HA LYS A 43 11.912 9.473 15.921 1.00 50.12 H new ATOM 0 HB2 LYS A 43 13.206 7.883 17.827 1.00 21.43 H new ATOM 0 HB3 LYS A 43 14.389 8.017 16.541 1.00 21.43 H new ATOM 0 HG2 LYS A 43 13.162 10.605 17.092 1.00 71.41 H new ATOM 0 HG3 LYS A 43 13.833 9.908 18.552 1.00 71.41 H new ATOM 0 HD2 LYS A 43 15.971 9.451 17.205 1.00 73.01 H new ATOM 0 HD3 LYS A 43 15.280 10.437 15.932 1.00 73.01 H new ATOM 0 HE2 LYS A 43 15.237 11.635 18.664 1.00 1.43 H new ATOM 0 HE3 LYS A 43 16.824 11.423 17.953 1.00 1.43 H new ATOM 0 HZ1 LYS A 43 15.901 13.581 17.407 1.00 62.54 H new ATOM 0 HZ2 LYS A 43 16.081 12.654 15.996 1.00 62.54 H new ATOM 0 HZ3 LYS A 43 14.543 12.860 16.685 1.00 62.54 H new ATOM 699 N SER A 44 12.997 6.924 14.192 1.00 64.44 N ATOM 700 CA SER A 44 13.523 6.514 12.894 1.00 75.14 C ATOM 701 C SER A 44 12.615 6.995 11.765 1.00 73.33 C ATOM 702 O SER A 44 13.075 7.613 10.804 1.00 21.34 O ATOM 703 CB SER A 44 13.665 4.992 12.835 1.00 44.32 C ATOM 704 OG SER A 44 14.834 4.564 13.512 1.00 60.13 O ATOM 0 H SER A 44 12.676 6.154 14.779 1.00 64.44 H new ATOM 0 HA SER A 44 14.506 6.968 12.767 1.00 75.14 H new ATOM 0 HB2 SER A 44 12.789 4.524 13.284 1.00 44.32 H new ATOM 0 HB3 SER A 44 13.703 4.667 11.795 1.00 44.32 H new ATOM 0 HG SER A 44 14.641 4.466 14.468 1.00 60.13 H new ATOM 710 N ILE A 45 11.324 6.707 11.889 1.00 63.14 N ATOM 711 CA ILE A 45 10.352 7.109 10.880 1.00 13.34 C ATOM 712 C ILE A 45 10.197 8.626 10.841 1.00 3.53 C ATOM 713 O ILE A 45 9.876 9.201 9.801 1.00 44.24 O ATOM 714 CB ILE A 45 8.974 6.471 11.139 1.00 64.20 C ATOM 715 CG1 ILE A 45 9.062 4.949 11.012 1.00 51.31 C ATOM 716 CG2 ILE A 45 7.941 7.031 10.173 1.00 22.42 C ATOM 717 CD1 ILE A 45 7.734 4.249 11.203 1.00 1.24 C ATOM 0 H ILE A 45 10.927 6.197 12.678 1.00 63.14 H new ATOM 0 HA ILE A 45 10.731 6.759 9.920 1.00 13.34 H new ATOM 0 HB ILE A 45 8.661 6.715 12.154 1.00 64.20 H new ATOM 0 HG12 ILE A 45 9.458 4.697 10.028 1.00 51.31 H new ATOM 0 HG13 ILE A 45 9.772 4.571 11.748 1.00 51.31 H new ATOM 0 HG21 ILE A 45 6.973 6.570 10.369 1.00 22.42 H new ATOM 0 HG22 ILE A 45 7.864 8.110 10.308 1.00 22.42 H new ATOM 0 HG23 ILE A 45 8.245 6.815 9.149 1.00 22.42 H new ATOM 0 HD11 ILE A 45 7.872 3.173 11.099 1.00 1.24 H new ATOM 0 HD12 ILE A 45 7.345 4.471 12.197 1.00 1.24 H new ATOM 0 HD13 ILE A 45 7.027 4.598 10.451 1.00 1.24 H new ATOM 729 N ASP A 46 10.429 9.268 11.981 1.00 10.01 N ATOM 730 CA ASP A 46 10.319 10.720 12.077 1.00 31.50 C ATOM 731 C ASP A 46 11.634 11.391 11.695 1.00 12.44 C ATOM 732 O ASP A 46 12.672 11.136 12.305 1.00 44.14 O ATOM 733 CB ASP A 46 9.914 11.129 13.494 1.00 25.01 C ATOM 734 CG ASP A 46 9.101 12.407 13.517 1.00 11.42 C ATOM 735 OD1 ASP A 46 9.232 13.213 12.572 1.00 23.31 O ATOM 736 OD2 ASP A 46 8.331 12.603 14.481 1.00 21.32 O ATOM 0 H ASP A 46 10.694 8.807 12.851 1.00 10.01 H new ATOM 0 HA ASP A 46 9.549 11.049 11.379 1.00 31.50 H new ATOM 0 HB2 ASP A 46 9.335 10.325 13.950 1.00 25.01 H new ATOM 0 HB3 ASP A 46 10.810 11.261 14.101 1.00 25.01 H new ATOM 741 N ALA A 47 11.582 12.249 10.682 1.00 62.21 N ATOM 742 CA ALA A 47 12.769 12.958 10.219 1.00 31.20 C ATOM 743 C ALA A 47 13.306 13.891 11.300 1.00 65.44 C ATOM 744 O ALA A 47 14.517 13.977 11.511 1.00 15.41 O ATOM 745 CB ALA A 47 12.457 13.739 8.952 1.00 53.32 C ATOM 0 H ALA A 47 10.731 12.470 10.166 1.00 62.21 H new ATOM 0 HA ALA A 47 13.540 12.220 9.996 1.00 31.20 H new ATOM 0 HB1 ALA A 47 13.352 14.263 8.618 1.00 53.32 H new ATOM 0 HB2 ALA A 47 12.127 13.052 8.173 1.00 53.32 H new ATOM 0 HB3 ALA A 47 11.668 14.463 9.156 1.00 53.32 H new ATOM 751 N ASP A 48 12.401 14.586 11.978 1.00 3.33 N ATOM 752 CA ASP A 48 12.785 15.513 13.037 1.00 42.30 C ATOM 753 C ASP A 48 12.396 14.965 14.406 1.00 3.32 C ATOM 754 O ASP A 48 12.881 15.435 15.435 1.00 63.55 O ATOM 755 CB ASP A 48 12.129 16.877 12.814 1.00 72.33 C ATOM 756 CG ASP A 48 10.617 16.784 12.736 1.00 52.41 C ATOM 757 OD1 ASP A 48 10.084 15.662 12.857 1.00 32.22 O ATOM 758 OD2 ASP A 48 9.967 17.836 12.555 1.00 65.35 O ATOM 0 H ASP A 48 11.396 14.526 11.814 1.00 3.33 H new ATOM 0 HA ASP A 48 13.868 15.631 13.007 1.00 42.30 H new ATOM 0 HB2 ASP A 48 12.408 17.549 13.626 1.00 72.33 H new ATOM 0 HB3 ASP A 48 12.512 17.315 11.892 1.00 72.33 H new ATOM 763 N GLY A 49 11.515 13.969 14.411 1.00 0.03 N ATOM 764 CA GLY A 49 11.075 13.375 15.659 1.00 75.30 C ATOM 765 C GLY A 49 10.436 14.387 16.589 1.00 33.44 C ATOM 766 O GLY A 49 10.552 14.278 17.810 1.00 75.34 O ATOM 0 H GLY A 49 11.099 13.563 13.573 1.00 0.03 H new ATOM 0 HA2 GLY A 49 10.361 12.579 15.447 1.00 75.30 H new ATOM 0 HA3 GLY A 49 11.927 12.914 16.159 1.00 75.30 H new ATOM 770 N ASN A 50 9.761 15.375 16.012 1.00 11.03 N ATOM 771 CA ASN A 50 9.102 16.412 16.799 1.00 65.15 C ATOM 772 C ASN A 50 7.714 15.960 17.240 1.00 52.35 C ATOM 773 O ASN A 50 6.707 16.335 16.639 1.00 41.42 O ATOM 774 CB ASN A 50 8.997 17.705 15.988 1.00 4.32 C ATOM 775 CG ASN A 50 8.227 17.517 14.696 1.00 50.42 C ATOM 776 OD1 ASN A 50 8.018 16.391 14.243 1.00 40.21 O ATOM 777 ND2 ASN A 50 7.800 18.622 14.095 1.00 21.23 N ATOM 0 H ASN A 50 9.656 15.480 15.003 1.00 11.03 H new ATOM 0 HA ASN A 50 9.703 16.597 17.689 1.00 65.15 H new ATOM 0 HB2 ASN A 50 8.508 18.470 16.591 1.00 4.32 H new ATOM 0 HB3 ASN A 50 9.999 18.070 15.761 1.00 4.32 H new ATOM 0 HD21 ASN A 50 7.276 18.558 13.222 1.00 21.23 H new ATOM 0 HD22 ASN A 50 7.996 19.535 14.506 1.00 21.23 H new ATOM 784 N GLY A 51 7.666 15.154 18.296 1.00 65.42 N ATOM 785 CA GLY A 51 6.397 14.665 18.800 1.00 2.03 C ATOM 786 C GLY A 51 5.733 13.687 17.851 1.00 2.41 C ATOM 787 O GLY A 51 5.244 12.640 18.273 1.00 62.14 O ATOM 0 H GLY A 51 8.485 14.831 18.812 1.00 65.42 H new ATOM 0 HA2 GLY A 51 6.555 14.181 19.764 1.00 2.03 H new ATOM 0 HA3 GLY A 51 5.729 15.509 18.973 1.00 2.03 H new ATOM 791 N GLU A 52 5.716 14.030 16.567 1.00 60.45 N ATOM 792 CA GLU A 52 5.105 13.174 15.557 1.00 60.10 C ATOM 793 C GLU A 52 5.764 13.382 14.196 1.00 44.50 C ATOM 794 O GLU A 52 6.487 14.357 13.988 1.00 14.24 O ATOM 795 CB GLU A 52 3.605 13.455 15.458 1.00 52.50 C ATOM 796 CG GLU A 52 3.260 14.936 15.481 1.00 23.34 C ATOM 797 CD GLU A 52 4.121 15.751 14.536 1.00 62.43 C ATOM 798 OE1 GLU A 52 4.155 15.421 13.331 1.00 20.34 O ATOM 799 OE2 GLU A 52 4.762 16.716 15.000 1.00 12.33 O ATOM 0 H GLU A 52 6.118 14.894 16.202 1.00 60.45 H new ATOM 0 HA GLU A 52 5.254 12.137 15.858 1.00 60.10 H new ATOM 0 HB2 GLU A 52 3.222 13.015 14.537 1.00 52.50 H new ATOM 0 HB3 GLU A 52 3.096 12.959 16.284 1.00 52.50 H new ATOM 0 HG2 GLU A 52 2.211 15.065 15.213 1.00 23.34 H new ATOM 0 HG3 GLU A 52 3.379 15.317 16.495 1.00 23.34 H new ATOM 806 N ILE A 53 5.509 12.461 13.275 1.00 62.45 N ATOM 807 CA ILE A 53 6.076 12.544 11.934 1.00 63.10 C ATOM 808 C ILE A 53 5.114 13.231 10.972 1.00 40.41 C ATOM 809 O ILE A 53 3.965 12.815 10.823 1.00 20.32 O ATOM 810 CB ILE A 53 6.426 11.148 11.384 1.00 51.53 C ATOM 811 CG1 ILE A 53 7.033 10.278 12.486 1.00 52.35 C ATOM 812 CG2 ILE A 53 7.384 11.268 10.208 1.00 65.25 C ATOM 813 CD1 ILE A 53 6.119 9.165 12.948 1.00 13.25 C ATOM 0 H ILE A 53 4.913 11.648 13.432 1.00 62.45 H new ATOM 0 HA ILE A 53 6.989 13.134 12.013 1.00 63.10 H new ATOM 0 HB ILE A 53 5.510 10.671 11.035 1.00 51.53 H new ATOM 0 HG12 ILE A 53 7.965 9.845 12.124 1.00 52.35 H new ATOM 0 HG13 ILE A 53 7.284 10.909 13.339 1.00 52.35 H new ATOM 0 HG21 ILE A 53 7.622 10.274 9.830 1.00 65.25 H new ATOM 0 HG22 ILE A 53 6.917 11.855 9.417 1.00 65.25 H new ATOM 0 HG23 ILE A 53 8.300 11.761 10.534 1.00 65.25 H new ATOM 0 HD11 ILE A 53 6.614 8.589 13.730 1.00 13.25 H new ATOM 0 HD12 ILE A 53 5.196 9.592 13.341 1.00 13.25 H new ATOM 0 HD13 ILE A 53 5.888 8.511 12.107 1.00 13.25 H new ATOM 825 N ASP A 54 5.592 14.285 10.319 1.00 53.15 N ATOM 826 CA ASP A 54 4.775 15.029 9.368 1.00 65.05 C ATOM 827 C ASP A 54 4.657 14.276 8.046 1.00 51.11 C ATOM 828 O ASP A 54 5.472 13.405 7.743 1.00 3.41 O ATOM 829 CB ASP A 54 5.372 16.416 9.125 1.00 4.43 C ATOM 830 CG ASP A 54 5.851 17.072 10.407 1.00 24.50 C ATOM 831 OD1 ASP A 54 5.308 16.742 11.481 1.00 33.33 O ATOM 832 OD2 ASP A 54 6.771 17.913 10.334 1.00 41.41 O ATOM 0 H ASP A 54 6.541 14.643 10.431 1.00 53.15 H new ATOM 0 HA ASP A 54 3.778 15.140 9.794 1.00 65.05 H new ATOM 0 HB2 ASP A 54 6.207 16.333 8.429 1.00 4.43 H new ATOM 0 HB3 ASP A 54 4.624 17.053 8.652 1.00 4.43 H new ATOM 837 N GLN A 55 3.637 14.617 7.265 1.00 51.13 N ATOM 838 CA GLN A 55 3.413 13.971 5.978 1.00 73.13 C ATOM 839 C GLN A 55 4.648 14.082 5.089 1.00 34.43 C ATOM 840 O GLN A 55 5.076 13.102 4.481 1.00 44.43 O ATOM 841 CB GLN A 55 2.206 14.595 5.273 1.00 13.31 C ATOM 842 CG GLN A 55 2.289 16.109 5.152 1.00 35.31 C ATOM 843 CD GLN A 55 1.001 16.723 4.641 1.00 41.52 C ATOM 844 OE1 GLN A 55 -0.089 16.207 4.890 1.00 43.44 O ATOM 845 NE2 GLN A 55 1.120 17.833 3.922 1.00 55.42 N ATOM 0 H GLN A 55 2.953 15.336 7.501 1.00 51.13 H new ATOM 0 HA GLN A 55 3.213 12.915 6.161 1.00 73.13 H new ATOM 0 HB2 GLN A 55 2.114 14.163 4.276 1.00 13.31 H new ATOM 0 HB3 GLN A 55 1.300 14.331 5.819 1.00 13.31 H new ATOM 0 HG2 GLN A 55 2.529 16.535 6.126 1.00 35.31 H new ATOM 0 HG3 GLN A 55 3.105 16.372 4.479 1.00 35.31 H new ATOM 0 HE21 GLN A 55 2.043 18.226 3.740 1.00 55.42 H new ATOM 0 HE22 GLN A 55 0.288 18.292 3.552 1.00 55.42 H new ATOM 854 N ASN A 56 5.214 15.282 5.020 1.00 24.25 N ATOM 855 CA ASN A 56 6.401 15.521 4.206 1.00 30.41 C ATOM 856 C ASN A 56 7.551 14.616 4.640 1.00 12.25 C ATOM 857 O ASN A 56 8.194 13.974 3.812 1.00 21.23 O ATOM 858 CB ASN A 56 6.826 16.987 4.305 1.00 54.33 C ATOM 859 CG ASN A 56 7.155 17.585 2.950 1.00 15.40 C ATOM 860 OD1 ASN A 56 8.321 17.796 2.620 1.00 24.00 O ATOM 861 ND2 ASN A 56 6.125 17.863 2.160 1.00 33.11 N ATOM 0 H ASN A 56 4.871 16.104 5.517 1.00 24.25 H new ATOM 0 HA ASN A 56 6.152 15.291 3.170 1.00 30.41 H new ATOM 0 HB2 ASN A 56 6.026 17.564 4.770 1.00 54.33 H new ATOM 0 HB3 ASN A 56 7.697 17.067 4.956 1.00 54.33 H new ATOM 0 HD21 ASN A 56 6.284 18.268 1.238 1.00 33.11 H new ATOM 0 HD22 ASN A 56 5.174 17.671 2.475 1.00 33.11 H new ATOM 868 N GLU A 57 7.801 14.573 5.945 1.00 0.22 N ATOM 869 CA GLU A 57 8.873 13.748 6.490 1.00 4.20 C ATOM 870 C GLU A 57 8.673 12.282 6.118 1.00 25.12 C ATOM 871 O GLU A 57 9.623 11.586 5.758 1.00 40.13 O ATOM 872 CB GLU A 57 8.939 13.896 8.011 1.00 11.01 C ATOM 873 CG GLU A 57 9.061 15.336 8.478 1.00 44.42 C ATOM 874 CD GLU A 57 8.761 15.499 9.956 1.00 52.00 C ATOM 875 OE1 GLU A 57 8.299 14.521 10.579 1.00 75.31 O ATOM 876 OE2 GLU A 57 8.988 16.605 10.489 1.00 42.20 O ATOM 0 H GLU A 57 7.276 15.099 6.644 1.00 0.22 H new ATOM 0 HA GLU A 57 9.814 14.089 6.059 1.00 4.20 H new ATOM 0 HB2 GLU A 57 8.044 13.455 8.450 1.00 11.01 H new ATOM 0 HB3 GLU A 57 9.790 13.328 8.386 1.00 11.01 H new ATOM 0 HG2 GLU A 57 10.070 15.696 8.274 1.00 44.42 H new ATOM 0 HG3 GLU A 57 8.378 15.960 7.902 1.00 44.42 H new ATOM 883 N PHE A 58 7.431 11.819 6.210 1.00 74.33 N ATOM 884 CA PHE A 58 7.105 10.435 5.885 1.00 73.32 C ATOM 885 C PHE A 58 7.383 10.142 4.414 1.00 71.14 C ATOM 886 O PHE A 58 7.942 9.099 4.072 1.00 51.41 O ATOM 887 CB PHE A 58 5.637 10.145 6.207 1.00 45.42 C ATOM 888 CG PHE A 58 5.344 8.686 6.406 1.00 71.44 C ATOM 889 CD1 PHE A 58 5.487 8.101 7.654 1.00 73.03 C ATOM 890 CD2 PHE A 58 4.925 7.898 5.345 1.00 45.32 C ATOM 891 CE1 PHE A 58 5.218 6.759 7.841 1.00 31.51 C ATOM 892 CE2 PHE A 58 4.654 6.556 5.526 1.00 0.12 C ATOM 893 CZ PHE A 58 4.802 5.984 6.775 1.00 54.44 C ATOM 0 H PHE A 58 6.634 12.382 6.507 1.00 74.33 H new ATOM 0 HA PHE A 58 7.737 9.787 6.492 1.00 73.32 H new ATOM 0 HB2 PHE A 58 5.357 10.690 7.108 1.00 45.42 H new ATOM 0 HB3 PHE A 58 5.014 10.525 5.398 1.00 45.42 H new ATOM 0 HD1 PHE A 58 5.813 8.701 8.491 1.00 73.03 H new ATOM 0 HD2 PHE A 58 4.809 8.339 4.366 1.00 45.32 H new ATOM 0 HE1 PHE A 58 5.333 6.316 8.819 1.00 31.51 H new ATOM 0 HE2 PHE A 58 4.326 5.954 4.691 1.00 0.12 H new ATOM 0 HZ PHE A 58 4.593 4.934 6.918 1.00 54.44 H new ATOM 903 N ALA A 59 6.986 11.068 3.546 1.00 3.25 N ATOM 904 CA ALA A 59 7.193 10.910 2.112 1.00 20.11 C ATOM 905 C ALA A 59 8.676 10.785 1.783 1.00 64.14 C ATOM 906 O ALA A 59 9.093 9.856 1.090 1.00 64.03 O ATOM 907 CB ALA A 59 6.580 12.081 1.359 1.00 15.13 C ATOM 0 H ALA A 59 6.519 11.935 3.812 1.00 3.25 H new ATOM 0 HA ALA A 59 6.699 9.991 1.797 1.00 20.11 H new ATOM 0 HB1 ALA A 59 6.742 11.950 0.289 1.00 15.13 H new ATOM 0 HB2 ALA A 59 5.510 12.124 1.562 1.00 15.13 H new ATOM 0 HB3 ALA A 59 7.048 13.009 1.686 1.00 15.13 H new ATOM 913 N LYS A 60 9.470 11.727 2.281 1.00 61.04 N ATOM 914 CA LYS A 60 10.908 11.723 2.040 1.00 65.13 C ATOM 915 C LYS A 60 11.569 10.521 2.706 1.00 30.52 C ATOM 916 O LYS A 60 12.632 10.068 2.282 1.00 42.55 O ATOM 917 CB LYS A 60 11.538 13.017 2.561 1.00 15.30 C ATOM 918 CG LYS A 60 11.801 14.045 1.475 1.00 55.32 C ATOM 919 CD LYS A 60 10.534 14.380 0.705 1.00 63.35 C ATOM 920 CE LYS A 60 10.305 15.882 0.634 1.00 33.42 C ATOM 921 NZ LYS A 60 11.375 16.571 -0.140 1.00 13.15 N ATOM 0 H LYS A 60 9.141 12.504 2.855 1.00 61.04 H new ATOM 0 HA LYS A 60 11.069 11.655 0.964 1.00 65.13 H new ATOM 0 HB2 LYS A 60 10.881 13.455 3.312 1.00 15.30 H new ATOM 0 HB3 LYS A 60 12.478 12.779 3.059 1.00 15.30 H new ATOM 0 HG2 LYS A 60 12.207 14.952 1.922 1.00 55.32 H new ATOM 0 HG3 LYS A 60 12.556 13.664 0.787 1.00 55.32 H new ATOM 0 HD2 LYS A 60 10.602 13.973 -0.304 1.00 63.35 H new ATOM 0 HD3 LYS A 60 9.679 13.903 1.184 1.00 63.35 H new ATOM 0 HE2 LYS A 60 9.338 16.080 0.172 1.00 33.42 H new ATOM 0 HE3 LYS A 60 10.266 16.291 1.643 1.00 33.42 H new ATOM 0 HZ1 LYS A 60 11.156 17.585 -0.208 1.00 13.15 H new ATOM 0 HZ2 LYS A 60 12.288 16.446 0.342 1.00 13.15 H new ATOM 0 HZ3 LYS A 60 11.430 16.164 -1.095 1.00 13.15 H new ATOM 935 N PHE A 61 10.931 10.005 3.753 1.00 53.24 N ATOM 936 CA PHE A 61 11.457 8.855 4.477 1.00 34.32 C ATOM 937 C PHE A 61 11.114 7.555 3.755 1.00 20.24 C ATOM 938 O PHE A 61 11.870 6.584 3.809 1.00 63.01 O ATOM 939 CB PHE A 61 10.897 8.822 5.901 1.00 55.23 C ATOM 940 CG PHE A 61 11.019 7.480 6.564 1.00 72.21 C ATOM 941 CD1 PHE A 61 12.249 6.850 6.660 1.00 0.44 C ATOM 942 CD2 PHE A 61 9.904 6.848 7.090 1.00 75.14 C ATOM 943 CE1 PHE A 61 12.365 5.615 7.269 1.00 40.11 C ATOM 944 CE2 PHE A 61 10.013 5.613 7.700 1.00 24.22 C ATOM 945 CZ PHE A 61 11.245 4.995 7.790 1.00 44.04 C ATOM 0 H PHE A 61 10.049 10.366 4.118 1.00 53.24 H new ATOM 0 HA PHE A 61 12.542 8.951 4.522 1.00 34.32 H new ATOM 0 HB2 PHE A 61 11.418 9.565 6.505 1.00 55.23 H new ATOM 0 HB3 PHE A 61 9.846 9.112 5.876 1.00 55.23 H new ATOM 0 HD1 PHE A 61 13.127 7.330 6.254 1.00 0.44 H new ATOM 0 HD2 PHE A 61 8.938 7.326 7.022 1.00 75.14 H new ATOM 0 HE1 PHE A 61 13.330 5.135 7.338 1.00 40.11 H new ATOM 0 HE2 PHE A 61 9.136 5.131 8.106 1.00 24.22 H new ATOM 0 HZ PHE A 61 11.333 4.030 8.266 1.00 44.04 H new ATOM 955 N TYR A 62 9.971 7.543 3.080 1.00 12.42 N ATOM 956 CA TYR A 62 9.525 6.362 2.349 1.00 2.25 C ATOM 957 C TYR A 62 10.570 5.931 1.323 1.00 15.42 C ATOM 958 O TYR A 62 10.893 6.678 0.400 1.00 43.20 O ATOM 959 CB TYR A 62 8.193 6.640 1.653 1.00 60.12 C ATOM 960 CG TYR A 62 7.757 5.535 0.716 1.00 45.53 C ATOM 961 CD1 TYR A 62 7.415 4.280 1.202 1.00 74.31 C ATOM 962 CD2 TYR A 62 7.689 5.748 -0.656 1.00 14.52 C ATOM 963 CE1 TYR A 62 7.017 3.268 0.349 1.00 3.40 C ATOM 964 CE2 TYR A 62 7.291 4.743 -1.516 1.00 21.15 C ATOM 965 CZ TYR A 62 6.957 3.505 -1.008 1.00 13.00 C ATOM 966 OH TYR A 62 6.561 2.500 -1.860 1.00 72.32 O ATOM 0 H TYR A 62 9.335 8.338 3.023 1.00 12.42 H new ATOM 0 HA TYR A 62 9.389 5.551 3.065 1.00 2.25 H new ATOM 0 HB2 TYR A 62 7.422 6.789 2.409 1.00 60.12 H new ATOM 0 HB3 TYR A 62 8.273 7.571 1.091 1.00 60.12 H new ATOM 0 HD1 TYR A 62 7.461 4.092 2.264 1.00 74.31 H new ATOM 0 HD2 TYR A 62 7.952 6.716 -1.056 1.00 14.52 H new ATOM 0 HE1 TYR A 62 6.755 2.297 0.743 1.00 3.40 H new ATOM 0 HE2 TYR A 62 7.242 4.925 -2.579 1.00 21.15 H new ATOM 0 HH TYR A 62 6.571 2.830 -2.783 1.00 72.32 H new ATOM 976 N GLY A 63 11.091 4.721 1.491 1.00 52.03 N ATOM 977 CA GLY A 63 12.092 4.210 0.573 1.00 55.01 C ATOM 978 C GLY A 63 13.492 4.670 0.927 1.00 62.25 C ATOM 979 O GLY A 63 14.449 4.375 0.211 1.00 12.12 O ATOM 0 H GLY A 63 10.838 4.084 2.247 1.00 52.03 H new ATOM 0 HA2 GLY A 63 12.060 3.120 0.575 1.00 55.01 H new ATOM 0 HA3 GLY A 63 11.851 4.534 -0.439 1.00 55.01 H new ATOM 983 N SER A 64 13.613 5.396 2.033 1.00 15.23 N ATOM 984 CA SER A 64 14.906 5.903 2.478 1.00 72.03 C ATOM 985 C SER A 64 15.624 6.628 1.344 1.00 5.45 C ATOM 986 O SER A 64 16.765 6.306 1.011 1.00 50.55 O ATOM 987 CB SER A 64 15.775 4.757 2.996 1.00 25.41 C ATOM 988 OG SER A 64 17.075 5.213 3.331 1.00 50.20 O ATOM 0 H SER A 64 12.831 5.647 2.638 1.00 15.23 H new ATOM 0 HA SER A 64 14.732 6.612 3.287 1.00 72.03 H new ATOM 0 HB2 SER A 64 15.307 4.309 3.872 1.00 25.41 H new ATOM 0 HB3 SER A 64 15.844 3.977 2.237 1.00 25.41 H new ATOM 0 HG SER A 64 17.467 5.677 2.562 1.00 50.20 H new ATOM 994 N ILE A 65 14.947 7.609 0.756 1.00 4.41 N ATOM 995 CA ILE A 65 15.521 8.382 -0.339 1.00 30.01 C ATOM 996 C ILE A 65 16.154 9.673 0.170 1.00 22.34 C ATOM 997 O ILE A 65 16.419 10.593 -0.603 1.00 73.54 O ATOM 998 CB ILE A 65 14.459 8.729 -1.400 1.00 11.33 C ATOM 999 CG1 ILE A 65 15.131 9.147 -2.708 1.00 41.22 C ATOM 1000 CG2 ILE A 65 13.543 9.833 -0.891 1.00 63.23 C ATOM 1001 CD1 ILE A 65 14.544 8.477 -3.931 1.00 61.11 C ATOM 0 H ILE A 65 14.002 7.887 1.019 1.00 4.41 H new ATOM 0 HA ILE A 65 16.290 7.759 -0.795 1.00 30.01 H new ATOM 0 HB ILE A 65 13.855 7.842 -1.592 1.00 11.33 H new ATOM 0 HG12 ILE A 65 15.047 10.228 -2.821 1.00 41.22 H new ATOM 0 HG13 ILE A 65 16.194 8.914 -2.651 1.00 41.22 H new ATOM 0 HG21 ILE A 65 12.798 10.067 -1.651 1.00 63.23 H new ATOM 0 HG22 ILE A 65 13.042 9.500 0.018 1.00 63.23 H new ATOM 0 HG23 ILE A 65 14.133 10.724 -0.674 1.00 63.23 H new ATOM 0 HD11 ILE A 65 15.070 8.821 -4.822 1.00 61.11 H new ATOM 0 HD12 ILE A 65 14.652 7.396 -3.841 1.00 61.11 H new ATOM 0 HD13 ILE A 65 13.487 8.731 -4.013 1.00 61.11 H new ATOM 1013 N GLN A 66 16.396 9.731 1.476 1.00 73.05 N ATOM 1014 CA GLN A 66 16.999 10.908 2.088 1.00 5.30 C ATOM 1015 C GLN A 66 18.374 11.189 1.489 1.00 34.24 C ATOM 1016 O GLN A 66 19.126 10.249 1.242 1.00 70.53 O ATOM 1017 CB GLN A 66 17.119 10.718 3.601 1.00 32.02 C ATOM 1018 CG GLN A 66 15.790 10.815 4.333 1.00 35.13 C ATOM 1019 CD GLN A 66 15.956 10.888 5.838 1.00 3.02 C ATOM 1020 OE1 GLN A 66 16.124 9.867 6.506 1.00 32.11 O ATOM 1021 NE2 GLN A 66 15.912 12.099 6.381 1.00 74.20 N ATOM 0 H GLN A 66 16.184 8.977 2.129 1.00 73.05 H new ATOM 0 HA GLN A 66 16.353 11.762 1.886 1.00 5.30 H new ATOM 0 HB2 GLN A 66 17.565 9.744 3.802 1.00 32.02 H new ATOM 0 HB3 GLN A 66 17.800 11.469 4.000 1.00 32.02 H new ATOM 0 HG2 GLN A 66 15.253 11.698 3.987 1.00 35.13 H new ATOM 0 HG3 GLN A 66 15.177 9.950 4.081 1.00 35.13 H new ATOM 0 HE21 GLN A 66 15.771 12.918 5.790 1.00 74.20 H new ATOM 0 HE22 GLN A 66 16.019 12.210 7.389 1.00 74.20 H new TER 1030 GLN A 66 HETATM 1031 CA CA A 101 -2.839 11.956 12.882 1.00 21.04 CA HETATM 1032 CA CA A 102 7.375 15.610 13.079 1.00 42.10 CA