USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 829 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 Set 1.1: A 37 TYR OH : rot 180:sc= 0.557 USER MOD Set 1.2: A 69 SER OG : rot -152:sc= 0.61 USER MOD Set 2.1: A 35 LYS NZ :NH3+ -156:sc= 0.177 (180deg=0) USER MOD Set 2.2: A 36 GLN : amide:sc= 0.0572 K(o=0.23,f=-3!) USER MOD Single : A 1 MET CE :methyl -142:sc= -0.148 (180deg=-1.63) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.00944 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0133 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.245 X(o=-0.25,f=-0.61) USER MOD Single : A 17 LYS NZ :NH3+ 174:sc=-0.00349 (180deg=-0.0919) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0.0635 X(o=0.063,f=-0.0056) USER MOD Single : A 39 ASN : amide:sc= -1.76! K(o=-1.8!,f=-0.022) USER MOD Single : A 41 THR OG1 : rot -150:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00803 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 72:sc= 0.108 USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 0.0031 (180deg=-0.0232) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00315) USER MOD Single : A 72 LYS NZ :NH3+ -135:sc= 0.0424 (180deg=-1.68!) USER MOD Single : A 84 LYS NZ :NH3+ 167:sc= -2.05! (180deg=-2.6!) USER MOD Single : A 88 ASN : amide:sc= -0.248 X(o=-0.25,f=0) USER MOD Single : A 90 THR OG1 : rot 67:sc= 0.084 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -42:sc= -0.562 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.772 -4.712 20.286 1.00 64.53 N ATOM 2 CA MET A 1 -5.222 -4.175 19.023 1.00 74.23 C ATOM 3 C MET A 1 -3.957 -4.947 18.612 1.00 41.44 C ATOM 4 O MET A 1 -3.113 -5.252 19.457 1.00 33.22 O ATOM 5 CB MET A 1 -4.950 -2.652 19.163 1.00 40.05 C ATOM 6 CG MET A 1 -4.188 -2.008 17.992 1.00 23.20 C ATOM 7 SD MET A 1 -4.168 -0.207 18.070 1.00 44.24 S ATOM 8 CE MET A 1 -5.889 0.178 17.756 1.00 54.02 C ATOM 0 H1 MET A 1 -6.087 -3.926 20.890 1.00 64.53 H new ATOM 0 H2 MET A 1 -6.580 -5.332 20.077 1.00 64.53 H new ATOM 0 H3 MET A 1 -5.037 -5.256 20.781 1.00 64.53 H new ATOM 0 HA MET A 1 -5.956 -4.310 18.229 1.00 74.23 H new ATOM 0 HB2 MET A 1 -5.905 -2.139 19.279 1.00 40.05 H new ATOM 0 HB3 MET A 1 -4.384 -2.484 20.079 1.00 40.05 H new ATOM 0 HG2 MET A 1 -3.162 -2.377 17.986 1.00 23.20 H new ATOM 0 HG3 MET A 1 -4.645 -2.320 17.053 1.00 23.20 H new ATOM 0 HE1 MET A 1 -5.955 1.072 17.136 1.00 54.02 H new ATOM 0 HE2 MET A 1 -6.360 -0.658 17.239 1.00 54.02 H new ATOM 0 HE3 MET A 1 -6.401 0.355 18.702 1.00 54.02 H new ATOM 20 N LEU A 2 -3.844 -5.256 17.306 1.00 54.52 N ATOM 21 CA LEU A 2 -2.695 -5.983 16.727 1.00 0.10 C ATOM 22 C LEU A 2 -2.005 -5.133 15.651 1.00 53.13 C ATOM 23 O LEU A 2 -2.606 -4.205 15.105 1.00 63.31 O ATOM 24 CB LEU A 2 -3.159 -7.375 16.183 1.00 54.33 C ATOM 25 CG LEU A 2 -4.471 -7.413 15.307 1.00 41.20 C ATOM 26 CD1 LEU A 2 -4.257 -6.859 13.880 1.00 1.40 C ATOM 27 CD2 LEU A 2 -5.066 -8.833 15.258 1.00 41.42 C ATOM 0 H LEU A 2 -4.553 -5.007 16.616 1.00 54.52 H new ATOM 0 HA LEU A 2 -1.955 -6.168 17.505 1.00 0.10 H new ATOM 0 HB2 LEU A 2 -2.346 -7.792 15.589 1.00 54.33 H new ATOM 0 HB3 LEU A 2 -3.304 -8.038 17.036 1.00 54.33 H new ATOM 0 HG LEU A 2 -5.186 -6.752 15.797 1.00 41.20 H new ATOM 0 HD11 LEU A 2 -5.194 -6.911 13.325 1.00 1.40 H new ATOM 0 HD12 LEU A 2 -3.927 -5.822 13.938 1.00 1.40 H new ATOM 0 HD13 LEU A 2 -3.499 -7.453 13.369 1.00 1.40 H new ATOM 0 HD21 LEU A 2 -5.969 -8.828 14.647 1.00 41.42 H new ATOM 0 HD22 LEU A 2 -4.338 -9.518 14.824 1.00 41.42 H new ATOM 0 HD23 LEU A 2 -5.313 -9.159 16.268 1.00 41.42 H new ATOM 39 N THR A 3 -0.728 -5.441 15.380 1.00 72.45 N ATOM 40 CA THR A 3 0.044 -4.800 14.310 1.00 74.42 C ATOM 41 C THR A 3 0.484 -5.863 13.286 1.00 3.44 C ATOM 42 O THR A 3 1.283 -6.755 13.613 1.00 63.04 O ATOM 43 CB THR A 3 1.297 -4.051 14.883 1.00 53.34 C ATOM 44 OG1 THR A 3 0.912 -3.219 15.991 1.00 45.30 O ATOM 45 CG2 THR A 3 1.984 -3.176 13.812 1.00 41.02 C ATOM 0 H THR A 3 -0.202 -6.144 15.899 1.00 72.45 H new ATOM 0 HA THR A 3 -0.591 -4.061 13.821 1.00 74.42 H new ATOM 0 HB THR A 3 2.005 -4.811 15.212 1.00 53.34 H new ATOM 0 HG1 THR A 3 1.701 -2.757 16.343 1.00 45.30 H new ATOM 0 HG21 THR A 3 2.847 -2.675 14.250 1.00 41.02 H new ATOM 0 HG22 THR A 3 2.311 -3.805 12.984 1.00 41.02 H new ATOM 0 HG23 THR A 3 1.279 -2.430 13.445 1.00 41.02 H new ATOM 53 N VAL A 4 -0.044 -5.768 12.054 1.00 73.43 N ATOM 54 CA VAL A 4 0.301 -6.675 10.949 1.00 23.02 C ATOM 55 C VAL A 4 1.365 -6.009 10.050 1.00 53.23 C ATOM 56 O VAL A 4 1.257 -4.829 9.692 1.00 5.50 O ATOM 57 CB VAL A 4 -0.976 -7.077 10.111 1.00 43.32 C ATOM 58 CG1 VAL A 4 -1.630 -5.857 9.428 1.00 74.22 C ATOM 59 CG2 VAL A 4 -0.660 -8.193 9.079 1.00 35.55 C ATOM 0 H VAL A 4 -0.726 -5.055 11.796 1.00 73.43 H new ATOM 0 HA VAL A 4 0.711 -7.594 11.368 1.00 23.02 H new ATOM 0 HB VAL A 4 -1.700 -7.478 10.820 1.00 43.32 H new ATOM 0 HG11 VAL A 4 -2.504 -6.181 8.863 1.00 74.22 H new ATOM 0 HG12 VAL A 4 -1.935 -5.136 10.186 1.00 74.22 H new ATOM 0 HG13 VAL A 4 -0.913 -5.391 8.752 1.00 74.22 H new ATOM 0 HG21 VAL A 4 -1.564 -8.441 8.523 1.00 35.55 H new ATOM 0 HG22 VAL A 4 0.107 -7.843 8.388 1.00 35.55 H new ATOM 0 HG23 VAL A 4 -0.300 -9.080 9.601 1.00 35.55 H new ATOM 69 N GLU A 5 2.425 -6.756 9.752 1.00 72.42 N ATOM 70 CA GLU A 5 3.480 -6.338 8.819 1.00 43.31 C ATOM 71 C GLU A 5 3.465 -7.272 7.602 1.00 62.24 C ATOM 72 O GLU A 5 3.443 -8.496 7.754 1.00 55.41 O ATOM 73 CB GLU A 5 4.869 -6.336 9.521 1.00 44.45 C ATOM 74 CG GLU A 5 4.960 -5.361 10.721 1.00 33.23 C ATOM 75 CD GLU A 5 6.372 -5.225 11.331 1.00 74.14 C ATOM 76 OE1 GLU A 5 7.326 -4.938 10.579 1.00 62.20 O ATOM 77 OE2 GLU A 5 6.523 -5.370 12.570 1.00 3.11 O ATOM 0 H GLU A 5 2.582 -7.680 10.154 1.00 72.42 H new ATOM 0 HA GLU A 5 3.292 -5.318 8.484 1.00 43.31 H new ATOM 0 HB2 GLU A 5 5.093 -7.345 9.867 1.00 44.45 H new ATOM 0 HB3 GLU A 5 5.634 -6.072 8.791 1.00 44.45 H new ATOM 0 HG2 GLU A 5 4.621 -4.376 10.399 1.00 33.23 H new ATOM 0 HG3 GLU A 5 4.273 -5.696 11.498 1.00 33.23 H new ATOM 84 N VAL A 6 3.431 -6.681 6.401 1.00 31.45 N ATOM 85 CA VAL A 6 3.438 -7.418 5.135 1.00 31.23 C ATOM 86 C VAL A 6 4.293 -6.653 4.103 1.00 23.23 C ATOM 87 O VAL A 6 4.174 -5.429 3.952 1.00 32.21 O ATOM 88 CB VAL A 6 1.970 -7.686 4.605 1.00 50.13 C ATOM 89 CG1 VAL A 6 1.148 -6.391 4.444 1.00 34.23 C ATOM 90 CG2 VAL A 6 1.982 -8.499 3.294 1.00 4.51 C ATOM 0 H VAL A 6 3.398 -5.669 6.282 1.00 31.45 H new ATOM 0 HA VAL A 6 3.884 -8.399 5.300 1.00 31.23 H new ATOM 0 HB VAL A 6 1.473 -8.282 5.371 1.00 50.13 H new ATOM 0 HG11 VAL A 6 0.151 -6.636 4.078 1.00 34.23 H new ATOM 0 HG12 VAL A 6 1.067 -5.889 5.408 1.00 34.23 H new ATOM 0 HG13 VAL A 6 1.644 -5.731 3.732 1.00 34.23 H new ATOM 0 HG21 VAL A 6 0.958 -8.664 2.959 1.00 4.51 H new ATOM 0 HG22 VAL A 6 2.529 -7.948 2.529 1.00 4.51 H new ATOM 0 HG23 VAL A 6 2.467 -9.460 3.466 1.00 4.51 H new ATOM 100 N GLU A 7 5.179 -7.395 3.435 1.00 60.05 N ATOM 101 CA GLU A 7 6.050 -6.879 2.376 1.00 72.22 C ATOM 102 C GLU A 7 5.303 -6.989 1.038 1.00 41.53 C ATOM 103 O GLU A 7 5.075 -8.095 0.544 1.00 5.15 O ATOM 104 CB GLU A 7 7.364 -7.716 2.340 1.00 15.11 C ATOM 105 CG GLU A 7 8.364 -7.329 1.224 1.00 61.10 C ATOM 106 CD GLU A 7 9.573 -8.287 1.146 1.00 22.50 C ATOM 107 OE1 GLU A 7 9.441 -9.373 0.543 1.00 14.51 O ATOM 108 OE2 GLU A 7 10.649 -7.972 1.696 1.00 51.20 O ATOM 0 H GLU A 7 5.314 -8.389 3.618 1.00 60.05 H new ATOM 0 HA GLU A 7 6.308 -5.836 2.562 1.00 72.22 H new ATOM 0 HB2 GLU A 7 7.864 -7.618 3.303 1.00 15.11 H new ATOM 0 HB3 GLU A 7 7.102 -8.768 2.222 1.00 15.11 H new ATOM 0 HG2 GLU A 7 7.847 -7.325 0.264 1.00 61.10 H new ATOM 0 HG3 GLU A 7 8.721 -6.314 1.398 1.00 61.10 H new ATOM 115 N VAL A 8 4.871 -5.846 0.496 1.00 63.31 N ATOM 116 CA VAL A 8 4.276 -5.786 -0.843 1.00 60.14 C ATOM 117 C VAL A 8 5.384 -5.304 -1.791 1.00 1.31 C ATOM 118 O VAL A 8 5.764 -4.135 -1.780 1.00 44.03 O ATOM 119 CB VAL A 8 3.026 -4.817 -0.881 1.00 14.30 C ATOM 120 CG1 VAL A 8 2.377 -4.783 -2.287 1.00 33.35 C ATOM 121 CG2 VAL A 8 1.986 -5.212 0.203 1.00 34.32 C ATOM 0 H VAL A 8 4.923 -4.943 0.968 1.00 63.31 H new ATOM 0 HA VAL A 8 3.903 -6.765 -1.144 1.00 60.14 H new ATOM 0 HB VAL A 8 3.381 -3.811 -0.660 1.00 14.30 H new ATOM 0 HG11 VAL A 8 1.522 -4.108 -2.277 1.00 33.35 H new ATOM 0 HG12 VAL A 8 3.107 -4.433 -3.016 1.00 33.35 H new ATOM 0 HG13 VAL A 8 2.045 -5.785 -2.559 1.00 33.35 H new ATOM 0 HG21 VAL A 8 1.136 -4.531 0.157 1.00 34.32 H new ATOM 0 HG22 VAL A 8 1.644 -6.232 0.025 1.00 34.32 H new ATOM 0 HG23 VAL A 8 2.447 -5.151 1.189 1.00 34.32 H new ATOM 131 N LYS A 9 5.919 -6.234 -2.586 1.00 22.14 N ATOM 132 CA LYS A 9 7.075 -5.981 -3.450 1.00 4.42 C ATOM 133 C LYS A 9 6.552 -5.747 -4.873 1.00 54.30 C ATOM 134 O LYS A 9 6.064 -6.671 -5.525 1.00 31.23 O ATOM 135 CB LYS A 9 8.059 -7.188 -3.352 1.00 52.44 C ATOM 136 CG LYS A 9 9.496 -6.911 -3.851 1.00 40.20 C ATOM 137 CD LYS A 9 10.468 -8.083 -3.558 1.00 1.35 C ATOM 138 CE LYS A 9 11.929 -7.755 -3.917 1.00 62.31 C ATOM 139 NZ LYS A 9 12.852 -8.878 -3.583 1.00 1.52 N ATOM 0 H LYS A 9 5.561 -7.187 -2.649 1.00 22.14 H new ATOM 0 HA LYS A 9 7.632 -5.096 -3.143 1.00 4.42 H new ATOM 0 HB2 LYS A 9 8.109 -7.511 -2.312 1.00 52.44 H new ATOM 0 HB3 LYS A 9 7.647 -8.019 -3.925 1.00 52.44 H new ATOM 0 HG2 LYS A 9 9.473 -6.723 -4.924 1.00 40.20 H new ATOM 0 HG3 LYS A 9 9.873 -6.005 -3.376 1.00 40.20 H new ATOM 0 HD2 LYS A 9 10.408 -8.342 -2.501 1.00 1.35 H new ATOM 0 HD3 LYS A 9 10.150 -8.961 -4.120 1.00 1.35 H new ATOM 0 HE2 LYS A 9 11.999 -7.532 -4.982 1.00 62.31 H new ATOM 0 HE3 LYS A 9 12.241 -6.858 -3.382 1.00 62.31 H new ATOM 0 HZ1 LYS A 9 13.825 -8.616 -3.840 1.00 1.52 H new ATOM 0 HZ2 LYS A 9 12.805 -9.074 -2.563 1.00 1.52 H new ATOM 0 HZ3 LYS A 9 12.571 -9.728 -4.113 1.00 1.52 H new ATOM 153 N ILE A 10 6.619 -4.490 -5.317 1.00 61.03 N ATOM 154 CA ILE A 10 5.960 -4.004 -6.538 1.00 51.33 C ATOM 155 C ILE A 10 6.996 -3.802 -7.659 1.00 41.15 C ATOM 156 O ILE A 10 7.792 -2.867 -7.601 1.00 54.03 O ATOM 157 CB ILE A 10 5.232 -2.633 -6.261 1.00 20.03 C ATOM 158 CG1 ILE A 10 4.381 -2.714 -4.954 1.00 73.24 C ATOM 159 CG2 ILE A 10 4.369 -2.206 -7.477 1.00 12.14 C ATOM 160 CD1 ILE A 10 3.687 -1.422 -4.557 1.00 53.25 C ATOM 0 H ILE A 10 7.143 -3.764 -4.829 1.00 61.03 H new ATOM 0 HA ILE A 10 5.227 -4.749 -6.847 1.00 51.33 H new ATOM 0 HB ILE A 10 5.992 -1.865 -6.115 1.00 20.03 H new ATOM 0 HG12 ILE A 10 3.626 -3.491 -5.078 1.00 73.24 H new ATOM 0 HG13 ILE A 10 5.029 -3.027 -4.135 1.00 73.24 H new ATOM 0 HG21 ILE A 10 3.878 -1.257 -7.260 1.00 12.14 H new ATOM 0 HG22 ILE A 10 5.007 -2.092 -8.354 1.00 12.14 H new ATOM 0 HG23 ILE A 10 3.615 -2.968 -7.674 1.00 12.14 H new ATOM 0 HD11 ILE A 10 3.122 -1.580 -3.638 1.00 53.25 H new ATOM 0 HD12 ILE A 10 4.432 -0.643 -4.395 1.00 53.25 H new ATOM 0 HD13 ILE A 10 3.008 -1.115 -5.352 1.00 53.25 H new ATOM 172 N THR A 11 6.991 -4.683 -8.666 1.00 31.34 N ATOM 173 CA THR A 11 7.824 -4.512 -9.869 1.00 44.40 C ATOM 174 C THR A 11 7.072 -3.609 -10.873 1.00 31.42 C ATOM 175 O THR A 11 5.850 -3.745 -11.048 1.00 3.14 O ATOM 176 CB THR A 11 8.207 -5.884 -10.526 1.00 10.43 C ATOM 177 OG1 THR A 11 9.106 -5.675 -11.632 1.00 71.14 O ATOM 178 CG2 THR A 11 6.979 -6.687 -11.003 1.00 21.53 C ATOM 0 H THR A 11 6.417 -5.526 -8.674 1.00 31.34 H new ATOM 0 HA THR A 11 8.762 -4.040 -9.577 1.00 44.40 H new ATOM 0 HB THR A 11 8.697 -6.472 -9.750 1.00 10.43 H new ATOM 0 HG1 THR A 11 9.339 -6.539 -12.032 1.00 71.14 H new ATOM 0 HG21 THR A 11 7.309 -7.626 -11.448 1.00 21.53 H new ATOM 0 HG22 THR A 11 6.329 -6.897 -10.153 1.00 21.53 H new ATOM 0 HG23 THR A 11 6.430 -6.107 -11.745 1.00 21.53 H new ATOM 186 N ALA A 12 7.794 -2.661 -11.487 1.00 31.21 N ATOM 187 CA ALA A 12 7.211 -1.716 -12.457 1.00 63.45 C ATOM 188 C ALA A 12 8.246 -1.289 -13.501 1.00 33.24 C ATOM 189 O ALA A 12 9.410 -1.699 -13.434 1.00 63.44 O ATOM 190 CB ALA A 12 6.638 -0.496 -11.723 1.00 14.53 C ATOM 0 H ALA A 12 8.792 -2.526 -11.328 1.00 31.21 H new ATOM 0 HA ALA A 12 6.400 -2.219 -12.984 1.00 63.45 H new ATOM 0 HB1 ALA A 12 6.210 0.196 -12.448 1.00 14.53 H new ATOM 0 HB2 ALA A 12 5.863 -0.820 -11.029 1.00 14.53 H new ATOM 0 HB3 ALA A 12 7.434 0.003 -11.171 1.00 14.53 H new ATOM 196 N ASP A 13 7.782 -0.479 -14.479 1.00 63.21 N ATOM 197 CA ASP A 13 8.611 0.056 -15.580 1.00 4.51 C ATOM 198 C ASP A 13 9.765 0.900 -15.024 1.00 44.01 C ATOM 199 O ASP A 13 10.935 0.700 -15.381 1.00 14.43 O ATOM 200 CB ASP A 13 7.726 0.914 -16.532 1.00 20.30 C ATOM 201 CG ASP A 13 8.478 1.455 -17.769 1.00 53.42 C ATOM 202 OD1 ASP A 13 8.520 0.753 -18.803 1.00 22.41 O ATOM 203 OD2 ASP A 13 9.018 2.592 -17.727 1.00 44.10 O ATOM 0 H ASP A 13 6.809 -0.175 -14.525 1.00 63.21 H new ATOM 0 HA ASP A 13 9.036 -0.778 -16.139 1.00 4.51 H new ATOM 0 HB2 ASP A 13 6.881 0.312 -16.867 1.00 20.30 H new ATOM 0 HB3 ASP A 13 7.316 1.755 -15.972 1.00 20.30 H new ATOM 208 N ASP A 14 9.399 1.840 -14.142 1.00 64.12 N ATOM 209 CA ASP A 14 10.341 2.742 -13.464 1.00 40.03 C ATOM 210 C ASP A 14 10.042 2.784 -11.954 1.00 55.34 C ATOM 211 O ASP A 14 8.962 3.203 -11.544 1.00 11.05 O ATOM 212 CB ASP A 14 10.313 4.172 -14.107 1.00 64.40 C ATOM 213 CG ASP A 14 8.921 4.804 -14.364 1.00 43.41 C ATOM 214 OD1 ASP A 14 7.865 4.236 -14.009 1.00 41.32 O ATOM 215 OD2 ASP A 14 8.888 5.894 -14.970 1.00 60.45 O ATOM 0 H ASP A 14 8.427 1.998 -13.876 1.00 64.12 H new ATOM 0 HA ASP A 14 11.352 2.356 -13.594 1.00 40.03 H new ATOM 0 HB2 ASP A 14 10.876 4.845 -13.460 1.00 64.40 H new ATOM 0 HB3 ASP A 14 10.844 4.126 -15.058 1.00 64.40 H new ATOM 220 N GLU A 15 11.018 2.338 -11.137 1.00 34.12 N ATOM 221 CA GLU A 15 10.897 2.285 -9.664 1.00 61.40 C ATOM 222 C GLU A 15 10.757 3.699 -9.050 1.00 42.34 C ATOM 223 O GLU A 15 10.246 3.853 -7.934 1.00 42.11 O ATOM 224 CB GLU A 15 12.109 1.519 -9.041 1.00 4.12 C ATOM 225 CG GLU A 15 13.468 2.259 -9.028 1.00 74.33 C ATOM 226 CD GLU A 15 14.049 2.573 -10.414 1.00 4.34 C ATOM 227 OE1 GLU A 15 14.750 1.713 -10.985 1.00 70.53 O ATOM 228 OE2 GLU A 15 13.783 3.674 -10.951 1.00 24.22 O ATOM 0 H GLU A 15 11.917 2.002 -11.482 1.00 34.12 H new ATOM 0 HA GLU A 15 9.985 1.738 -9.425 1.00 61.40 H new ATOM 0 HB2 GLU A 15 11.854 1.258 -8.014 1.00 4.12 H new ATOM 0 HB3 GLU A 15 12.236 0.584 -9.586 1.00 4.12 H new ATOM 0 HG2 GLU A 15 13.350 3.194 -8.480 1.00 74.33 H new ATOM 0 HG3 GLU A 15 14.189 1.655 -8.477 1.00 74.33 H new ATOM 235 N ASN A 16 11.224 4.714 -9.803 1.00 11.12 N ATOM 236 CA ASN A 16 11.124 6.135 -9.436 1.00 5.32 C ATOM 237 C ASN A 16 9.654 6.571 -9.310 1.00 0.55 C ATOM 238 O ASN A 16 9.187 6.923 -8.222 1.00 60.31 O ATOM 239 CB ASN A 16 11.836 6.981 -10.531 1.00 23.35 C ATOM 240 CG ASN A 16 11.796 8.502 -10.314 1.00 22.14 C ATOM 241 OD1 ASN A 16 11.686 9.271 -11.273 1.00 43.44 O ATOM 242 ND2 ASN A 16 11.920 8.952 -9.074 1.00 52.33 N ATOM 0 H ASN A 16 11.689 4.564 -10.698 1.00 11.12 H new ATOM 0 HA ASN A 16 11.602 6.289 -8.468 1.00 5.32 H new ATOM 0 HB2 ASN A 16 12.878 6.666 -10.590 1.00 23.35 H new ATOM 0 HB3 ASN A 16 11.380 6.756 -11.495 1.00 23.35 H new ATOM 0 HD21 ASN A 16 11.926 9.956 -8.894 1.00 52.33 H new ATOM 0 HD22 ASN A 16 12.009 8.294 -8.299 1.00 52.33 H new ATOM 249 N LYS A 17 8.922 6.466 -10.433 1.00 75.34 N ATOM 250 CA LYS A 17 7.541 6.949 -10.545 1.00 5.43 C ATOM 251 C LYS A 17 6.574 5.984 -9.866 1.00 24.03 C ATOM 252 O LYS A 17 5.563 6.415 -9.318 1.00 43.50 O ATOM 253 CB LYS A 17 7.173 7.144 -12.032 1.00 22.05 C ATOM 254 CG LYS A 17 8.062 8.171 -12.757 1.00 11.11 C ATOM 255 CD LYS A 17 7.918 9.600 -12.200 1.00 71.44 C ATOM 256 CE LYS A 17 8.883 10.582 -12.871 1.00 63.53 C ATOM 257 NZ LYS A 17 8.725 10.622 -14.352 1.00 74.43 N ATOM 0 H LYS A 17 9.276 6.041 -11.290 1.00 75.34 H new ATOM 0 HA LYS A 17 7.462 7.910 -10.037 1.00 5.43 H new ATOM 0 HB2 LYS A 17 7.247 6.185 -12.545 1.00 22.05 H new ATOM 0 HB3 LYS A 17 6.133 7.463 -12.102 1.00 22.05 H new ATOM 0 HG2 LYS A 17 9.104 7.860 -12.677 1.00 11.11 H new ATOM 0 HG3 LYS A 17 7.811 8.175 -13.818 1.00 11.11 H new ATOM 0 HD2 LYS A 17 6.894 9.943 -12.345 1.00 71.44 H new ATOM 0 HD3 LYS A 17 8.101 9.590 -11.126 1.00 71.44 H new ATOM 0 HE2 LYS A 17 8.719 11.580 -12.465 1.00 63.53 H new ATOM 0 HE3 LYS A 17 9.908 10.302 -12.626 1.00 63.53 H new ATOM 0 HZ1 LYS A 17 9.328 11.373 -14.745 1.00 74.43 H new ATOM 0 HZ2 LYS A 17 9.005 9.706 -14.756 1.00 74.43 H new ATOM 0 HZ3 LYS A 17 7.731 10.816 -14.590 1.00 74.43 H new ATOM 271 N ALA A 18 6.921 4.679 -9.902 1.00 74.35 N ATOM 272 CA ALA A 18 6.165 3.619 -9.222 1.00 30.42 C ATOM 273 C ALA A 18 5.970 3.945 -7.734 1.00 61.33 C ATOM 274 O ALA A 18 4.839 3.918 -7.233 1.00 11.22 O ATOM 275 CB ALA A 18 6.880 2.272 -9.377 1.00 42.13 C ATOM 0 H ALA A 18 7.738 4.336 -10.407 1.00 74.35 H new ATOM 0 HA ALA A 18 5.182 3.555 -9.688 1.00 30.42 H new ATOM 0 HB1 ALA A 18 6.308 1.496 -8.868 1.00 42.13 H new ATOM 0 HB2 ALA A 18 6.965 2.025 -10.435 1.00 42.13 H new ATOM 0 HB3 ALA A 18 7.876 2.336 -8.938 1.00 42.13 H new ATOM 281 N GLU A 19 7.087 4.304 -7.068 1.00 32.14 N ATOM 282 CA GLU A 19 7.099 4.669 -5.646 1.00 31.43 C ATOM 283 C GLU A 19 6.211 5.898 -5.387 1.00 55.24 C ATOM 284 O GLU A 19 5.342 5.856 -4.517 1.00 72.41 O ATOM 285 CB GLU A 19 8.545 4.953 -5.168 1.00 45.15 C ATOM 286 CG GLU A 19 8.626 5.408 -3.695 1.00 42.45 C ATOM 287 CD GLU A 19 10.033 5.760 -3.220 1.00 12.32 C ATOM 288 OE1 GLU A 19 10.550 6.825 -3.626 1.00 2.14 O ATOM 289 OE2 GLU A 19 10.637 4.994 -2.430 1.00 73.21 O ATOM 0 H GLU A 19 8.006 4.347 -7.508 1.00 32.14 H new ATOM 0 HA GLU A 19 6.700 3.827 -5.081 1.00 31.43 H new ATOM 0 HB2 GLU A 19 9.145 4.052 -5.296 1.00 45.15 H new ATOM 0 HB3 GLU A 19 8.985 5.722 -5.803 1.00 45.15 H new ATOM 0 HG2 GLU A 19 7.982 6.277 -3.560 1.00 42.45 H new ATOM 0 HG3 GLU A 19 8.229 4.616 -3.060 1.00 42.45 H new ATOM 296 N GLU A 20 6.429 6.960 -6.193 1.00 64.11 N ATOM 297 CA GLU A 20 5.736 8.260 -6.045 1.00 14.51 C ATOM 298 C GLU A 20 4.204 8.104 -6.136 1.00 33.41 C ATOM 299 O GLU A 20 3.466 8.699 -5.337 1.00 31.34 O ATOM 300 CB GLU A 20 6.224 9.254 -7.127 1.00 65.32 C ATOM 301 CG GLU A 20 7.722 9.616 -7.042 1.00 14.30 C ATOM 302 CD GLU A 20 8.172 10.553 -8.172 1.00 23.23 C ATOM 303 OE1 GLU A 20 7.674 11.700 -8.240 1.00 44.40 O ATOM 304 OE2 GLU A 20 9.028 10.168 -8.996 1.00 73.44 O ATOM 0 H GLU A 20 7.093 6.940 -6.967 1.00 64.11 H new ATOM 0 HA GLU A 20 5.978 8.649 -5.056 1.00 14.51 H new ATOM 0 HB2 GLU A 20 6.022 8.828 -8.110 1.00 65.32 H new ATOM 0 HB3 GLU A 20 5.638 10.170 -7.050 1.00 65.32 H new ATOM 0 HG2 GLU A 20 7.923 10.090 -6.081 1.00 14.30 H new ATOM 0 HG3 GLU A 20 8.315 8.702 -7.076 1.00 14.30 H new ATOM 311 N ILE A 21 3.759 7.281 -7.105 1.00 60.23 N ATOM 312 CA ILE A 21 2.339 6.956 -7.310 1.00 51.00 C ATOM 313 C ILE A 21 1.776 6.266 -6.056 1.00 54.31 C ATOM 314 O ILE A 21 0.803 6.746 -5.487 1.00 2.11 O ATOM 315 CB ILE A 21 2.141 6.057 -8.595 1.00 0.33 C ATOM 316 CG1 ILE A 21 2.533 6.855 -9.883 1.00 31.21 C ATOM 317 CG2 ILE A 21 0.696 5.503 -8.707 1.00 64.15 C ATOM 318 CD1 ILE A 21 2.581 6.032 -11.159 1.00 13.41 C ATOM 0 H ILE A 21 4.381 6.821 -7.770 1.00 60.23 H new ATOM 0 HA ILE A 21 1.788 7.882 -7.475 1.00 51.00 H new ATOM 0 HB ILE A 21 2.803 5.197 -8.497 1.00 0.33 H new ATOM 0 HG12 ILE A 21 1.820 7.668 -10.020 1.00 31.21 H new ATOM 0 HG13 ILE A 21 3.510 7.311 -9.726 1.00 31.21 H new ATOM 0 HG21 ILE A 21 0.609 4.892 -9.605 1.00 64.15 H new ATOM 0 HG22 ILE A 21 0.471 4.895 -7.831 1.00 64.15 H new ATOM 0 HG23 ILE A 21 -0.008 6.333 -8.763 1.00 64.15 H new ATOM 0 HD11 ILE A 21 2.861 6.673 -11.995 1.00 13.41 H new ATOM 0 HD12 ILE A 21 3.316 5.235 -11.050 1.00 13.41 H new ATOM 0 HD13 ILE A 21 1.600 5.597 -11.349 1.00 13.41 H new ATOM 330 N VAL A 22 2.468 5.206 -5.587 1.00 3.41 N ATOM 331 CA VAL A 22 2.033 4.405 -4.424 1.00 54.11 C ATOM 332 C VAL A 22 1.906 5.269 -3.143 1.00 61.03 C ATOM 333 O VAL A 22 0.907 5.165 -2.436 1.00 40.23 O ATOM 334 CB VAL A 22 3.005 3.183 -4.202 1.00 44.03 C ATOM 335 CG1 VAL A 22 2.714 2.424 -2.890 1.00 61.42 C ATOM 336 CG2 VAL A 22 2.931 2.214 -5.403 1.00 31.13 C ATOM 0 H VAL A 22 3.341 4.882 -6.003 1.00 3.41 H new ATOM 0 HA VAL A 22 1.038 4.015 -4.640 1.00 54.11 H new ATOM 0 HB VAL A 22 4.013 3.590 -4.122 1.00 44.03 H new ATOM 0 HG11 VAL A 22 3.412 1.593 -2.788 1.00 61.42 H new ATOM 0 HG12 VAL A 22 2.830 3.102 -2.044 1.00 61.42 H new ATOM 0 HG13 VAL A 22 1.694 2.040 -2.910 1.00 61.42 H new ATOM 0 HG21 VAL A 22 3.607 1.375 -5.236 1.00 31.13 H new ATOM 0 HG22 VAL A 22 1.912 1.843 -5.509 1.00 31.13 H new ATOM 0 HG23 VAL A 22 3.222 2.739 -6.313 1.00 31.13 H new ATOM 346 N LYS A 23 2.892 6.166 -2.901 1.00 11.11 N ATOM 347 CA LYS A 23 2.905 7.053 -1.709 1.00 71.44 C ATOM 348 C LYS A 23 1.695 8.017 -1.723 1.00 41.35 C ATOM 349 O LYS A 23 0.980 8.146 -0.716 1.00 63.21 O ATOM 350 CB LYS A 23 4.229 7.862 -1.632 1.00 21.40 C ATOM 351 CG LYS A 23 5.503 7.004 -1.496 1.00 5.52 C ATOM 352 CD LYS A 23 6.798 7.849 -1.354 1.00 5.03 C ATOM 353 CE LYS A 23 6.858 8.648 -0.037 1.00 1.43 C ATOM 354 NZ LYS A 23 8.117 9.438 0.098 1.00 20.21 N ATOM 0 H LYS A 23 3.693 6.296 -3.518 1.00 11.11 H new ATOM 0 HA LYS A 23 2.834 6.419 -0.825 1.00 71.44 H new ATOM 0 HB2 LYS A 23 4.316 8.477 -2.528 1.00 21.40 H new ATOM 0 HB3 LYS A 23 4.174 8.543 -0.783 1.00 21.40 H new ATOM 0 HG2 LYS A 23 5.404 6.354 -0.627 1.00 5.52 H new ATOM 0 HG3 LYS A 23 5.593 6.358 -2.369 1.00 5.52 H new ATOM 0 HD2 LYS A 23 7.663 7.189 -1.411 1.00 5.03 H new ATOM 0 HD3 LYS A 23 6.868 8.540 -2.194 1.00 5.03 H new ATOM 0 HE2 LYS A 23 6.003 9.322 0.014 1.00 1.43 H new ATOM 0 HE3 LYS A 23 6.773 7.961 0.805 1.00 1.43 H new ATOM 0 HZ1 LYS A 23 8.107 9.956 1.000 1.00 20.21 H new ATOM 0 HZ2 LYS A 23 8.934 8.795 0.077 1.00 20.21 H new ATOM 0 HZ3 LYS A 23 8.189 10.114 -0.689 1.00 20.21 H new ATOM 368 N ARG A 24 1.476 8.667 -2.893 1.00 0.12 N ATOM 369 CA ARG A 24 0.328 9.568 -3.122 1.00 31.35 C ATOM 370 C ARG A 24 -0.996 8.836 -2.877 1.00 15.20 C ATOM 371 O ARG A 24 -1.850 9.303 -2.123 1.00 15.02 O ATOM 372 CB ARG A 24 0.361 10.131 -4.575 1.00 14.40 C ATOM 373 CG ARG A 24 -0.939 10.862 -5.015 1.00 63.44 C ATOM 374 CD ARG A 24 -0.826 11.552 -6.388 1.00 61.11 C ATOM 375 NE ARG A 24 -2.118 12.100 -6.861 1.00 30.14 N ATOM 376 CZ ARG A 24 -2.805 13.114 -6.292 1.00 52.54 C ATOM 377 NH1 ARG A 24 -2.358 13.732 -5.195 1.00 24.34 N ATOM 378 NH2 ARG A 24 -3.947 13.515 -6.841 1.00 51.13 N ATOM 0 H ARG A 24 2.092 8.579 -3.701 1.00 0.12 H new ATOM 0 HA ARG A 24 0.403 10.397 -2.418 1.00 31.35 H new ATOM 0 HB2 ARG A 24 1.199 10.822 -4.664 1.00 14.40 H new ATOM 0 HB3 ARG A 24 0.551 9.309 -5.265 1.00 14.40 H new ATOM 0 HG2 ARG A 24 -1.757 10.143 -5.046 1.00 63.44 H new ATOM 0 HG3 ARG A 24 -1.198 11.608 -4.264 1.00 63.44 H new ATOM 0 HD2 ARG A 24 -0.095 12.358 -6.326 1.00 61.11 H new ATOM 0 HD3 ARG A 24 -0.450 10.837 -7.120 1.00 61.11 H new ATOM 0 HE ARG A 24 -2.526 11.673 -7.692 1.00 30.14 H new ATOM 0 HH11 ARG A 24 -1.479 13.440 -4.768 1.00 24.34 H new ATOM 0 HH12 ARG A 24 -2.896 14.495 -4.785 1.00 24.34 H new ATOM 0 HH21 ARG A 24 -4.296 13.058 -7.683 1.00 51.13 H new ATOM 0 HH22 ARG A 24 -4.474 14.280 -6.420 1.00 51.13 H new ATOM 392 N VAL A 25 -1.109 7.658 -3.497 1.00 34.53 N ATOM 393 CA VAL A 25 -2.325 6.850 -3.508 1.00 52.41 C ATOM 394 C VAL A 25 -2.681 6.329 -2.099 1.00 33.40 C ATOM 395 O VAL A 25 -3.856 6.306 -1.731 1.00 63.14 O ATOM 396 CB VAL A 25 -2.170 5.680 -4.544 1.00 33.22 C ATOM 397 CG1 VAL A 25 -3.249 4.615 -4.373 1.00 43.33 C ATOM 398 CG2 VAL A 25 -2.183 6.233 -5.991 1.00 13.40 C ATOM 0 H VAL A 25 -0.340 7.233 -4.015 1.00 34.53 H new ATOM 0 HA VAL A 25 -3.159 7.480 -3.818 1.00 52.41 H new ATOM 0 HB VAL A 25 -1.209 5.203 -4.352 1.00 33.22 H new ATOM 0 HG11 VAL A 25 -3.102 3.826 -5.111 1.00 43.33 H new ATOM 0 HG12 VAL A 25 -3.186 4.191 -3.371 1.00 43.33 H new ATOM 0 HG13 VAL A 25 -4.231 5.066 -4.515 1.00 43.33 H new ATOM 0 HG21 VAL A 25 -2.075 5.409 -6.696 1.00 13.40 H new ATOM 0 HG22 VAL A 25 -3.126 6.747 -6.176 1.00 13.40 H new ATOM 0 HG23 VAL A 25 -1.357 6.933 -6.121 1.00 13.40 H new ATOM 408 N ILE A 26 -1.666 5.948 -1.308 1.00 52.11 N ATOM 409 CA ILE A 26 -1.874 5.492 0.079 1.00 44.10 C ATOM 410 C ILE A 26 -2.308 6.674 0.968 1.00 71.42 C ATOM 411 O ILE A 26 -3.070 6.481 1.905 1.00 53.04 O ATOM 412 CB ILE A 26 -0.599 4.768 0.653 1.00 72.33 C ATOM 413 CG1 ILE A 26 -0.335 3.451 -0.143 1.00 50.32 C ATOM 414 CG2 ILE A 26 -0.729 4.474 2.169 1.00 12.13 C ATOM 415 CD1 ILE A 26 0.929 2.706 0.251 1.00 12.01 C ATOM 0 H ILE A 26 -0.690 5.946 -1.604 1.00 52.11 H new ATOM 0 HA ILE A 26 -2.676 4.754 0.078 1.00 44.10 H new ATOM 0 HB ILE A 26 0.250 5.440 0.531 1.00 72.33 H new ATOM 0 HG12 ILE A 26 -1.188 2.786 -0.009 1.00 50.32 H new ATOM 0 HG13 ILE A 26 -0.282 3.690 -1.205 1.00 50.32 H new ATOM 0 HG21 ILE A 26 0.173 3.974 2.521 1.00 12.13 H new ATOM 0 HG22 ILE A 26 -0.860 5.410 2.711 1.00 12.13 H new ATOM 0 HG23 ILE A 26 -1.591 3.830 2.342 1.00 12.13 H new ATOM 0 HD11 ILE A 26 1.025 1.806 -0.357 1.00 12.01 H new ATOM 0 HD12 ILE A 26 1.795 3.348 0.089 1.00 12.01 H new ATOM 0 HD13 ILE A 26 0.875 2.429 1.304 1.00 12.01 H new ATOM 427 N ASP A 27 -1.845 7.901 0.636 1.00 45.43 N ATOM 428 CA ASP A 27 -2.310 9.140 1.307 1.00 11.10 C ATOM 429 C ASP A 27 -3.789 9.432 0.950 1.00 62.22 C ATOM 430 O ASP A 27 -4.551 9.945 1.789 1.00 25.41 O ATOM 431 CB ASP A 27 -1.403 10.339 0.928 1.00 73.42 C ATOM 432 CG ASP A 27 -1.798 11.651 1.641 1.00 32.32 C ATOM 433 OD1 ASP A 27 -1.479 11.807 2.839 1.00 55.42 O ATOM 434 OD2 ASP A 27 -2.427 12.532 1.011 1.00 74.42 O ATOM 0 H ASP A 27 -1.149 8.061 -0.093 1.00 45.43 H new ATOM 0 HA ASP A 27 -2.245 8.993 2.385 1.00 11.10 H new ATOM 0 HB2 ASP A 27 -0.369 10.096 1.174 1.00 73.42 H new ATOM 0 HB3 ASP A 27 -1.446 10.492 -0.150 1.00 73.42 H new ATOM 439 N GLU A 28 -4.188 9.071 -0.294 1.00 54.43 N ATOM 440 CA GLU A 28 -5.590 9.166 -0.746 1.00 75.21 C ATOM 441 C GLU A 28 -6.464 8.181 0.066 1.00 31.42 C ATOM 442 O GLU A 28 -7.567 8.521 0.485 1.00 2.30 O ATOM 443 CB GLU A 28 -5.721 8.856 -2.269 1.00 33.34 C ATOM 444 CG GLU A 28 -4.841 9.704 -3.222 1.00 25.34 C ATOM 445 CD GLU A 28 -5.236 11.191 -3.324 1.00 33.52 C ATOM 446 OE1 GLU A 28 -6.381 11.479 -3.739 1.00 54.41 O ATOM 447 OE2 GLU A 28 -4.409 12.078 -3.005 1.00 52.15 O ATOM 0 H GLU A 28 -3.550 8.709 -1.003 1.00 54.43 H new ATOM 0 HA GLU A 28 -5.932 10.188 -0.581 1.00 75.21 H new ATOM 0 HB2 GLU A 28 -5.480 7.805 -2.426 1.00 33.34 H new ATOM 0 HB3 GLU A 28 -6.764 8.990 -2.557 1.00 33.34 H new ATOM 0 HG2 GLU A 28 -3.805 9.641 -2.888 1.00 25.34 H new ATOM 0 HG3 GLU A 28 -4.882 9.264 -4.218 1.00 25.34 H new ATOM 454 N VAL A 29 -5.927 6.960 0.294 1.00 62.32 N ATOM 455 CA VAL A 29 -6.589 5.910 1.095 1.00 1.35 C ATOM 456 C VAL A 29 -6.606 6.293 2.596 1.00 30.34 C ATOM 457 O VAL A 29 -7.601 6.074 3.291 1.00 53.34 O ATOM 458 CB VAL A 29 -5.869 4.506 0.919 1.00 21.03 C ATOM 459 CG1 VAL A 29 -6.543 3.400 1.767 1.00 2.02 C ATOM 460 CG2 VAL A 29 -5.806 4.080 -0.566 1.00 2.14 C ATOM 0 H VAL A 29 -5.019 6.677 -0.075 1.00 62.32 H new ATOM 0 HA VAL A 29 -7.613 5.825 0.732 1.00 1.35 H new ATOM 0 HB VAL A 29 -4.849 4.633 1.282 1.00 21.03 H new ATOM 0 HG11 VAL A 29 -6.019 2.456 1.617 1.00 2.02 H new ATOM 0 HG12 VAL A 29 -6.502 3.674 2.821 1.00 2.02 H new ATOM 0 HG13 VAL A 29 -7.583 3.290 1.461 1.00 2.02 H new ATOM 0 HG21 VAL A 29 -5.306 3.115 -0.647 1.00 2.14 H new ATOM 0 HG22 VAL A 29 -6.817 4.000 -0.965 1.00 2.14 H new ATOM 0 HG23 VAL A 29 -5.250 4.825 -1.135 1.00 2.14 H new ATOM 470 N GLU A 30 -5.500 6.911 3.058 1.00 61.23 N ATOM 471 CA GLU A 30 -5.229 7.145 4.491 1.00 71.42 C ATOM 472 C GLU A 30 -6.260 8.086 5.107 1.00 13.21 C ATOM 473 O GLU A 30 -6.776 7.803 6.178 1.00 14.35 O ATOM 474 CB GLU A 30 -3.796 7.706 4.691 1.00 70.13 C ATOM 475 CG GLU A 30 -3.383 7.921 6.169 1.00 71.11 C ATOM 476 CD GLU A 30 -1.936 8.404 6.333 1.00 62.54 C ATOM 477 OE1 GLU A 30 -1.009 7.568 6.319 1.00 73.03 O ATOM 478 OE2 GLU A 30 -1.715 9.626 6.484 1.00 4.32 O ATOM 0 H GLU A 30 -4.766 7.264 2.444 1.00 61.23 H new ATOM 0 HA GLU A 30 -5.304 6.186 5.003 1.00 71.42 H new ATOM 0 HB2 GLU A 30 -3.085 7.023 4.225 1.00 70.13 H new ATOM 0 HB3 GLU A 30 -3.716 8.657 4.164 1.00 70.13 H new ATOM 0 HG2 GLU A 30 -4.055 8.649 6.624 1.00 71.11 H new ATOM 0 HG3 GLU A 30 -3.510 6.986 6.714 1.00 71.11 H new ATOM 485 N ARG A 31 -6.584 9.172 4.385 1.00 35.30 N ATOM 486 CA ARG A 31 -7.554 10.190 4.848 1.00 13.23 C ATOM 487 C ARG A 31 -8.951 9.568 5.081 1.00 14.14 C ATOM 488 O ARG A 31 -9.686 9.989 5.976 1.00 14.42 O ATOM 489 CB ARG A 31 -7.632 11.353 3.827 1.00 74.30 C ATOM 490 CG ARG A 31 -8.238 10.967 2.458 1.00 62.22 C ATOM 491 CD ARG A 31 -8.150 12.086 1.416 1.00 75.15 C ATOM 492 NE ARG A 31 -6.754 12.424 1.094 1.00 4.15 N ATOM 493 CZ ARG A 31 -6.292 12.719 -0.129 1.00 54.22 C ATOM 494 NH1 ARG A 31 -7.111 12.753 -1.188 1.00 3.24 N ATOM 495 NH2 ARG A 31 -4.999 12.929 -0.299 1.00 23.21 N ATOM 0 H ARG A 31 -6.185 9.372 3.468 1.00 35.30 H new ATOM 0 HA ARG A 31 -7.207 10.585 5.803 1.00 13.23 H new ATOM 0 HB2 ARG A 31 -8.226 12.159 4.258 1.00 74.30 H new ATOM 0 HB3 ARG A 31 -6.628 11.747 3.667 1.00 74.30 H new ATOM 0 HG2 ARG A 31 -7.723 10.085 2.077 1.00 62.22 H new ATOM 0 HG3 ARG A 31 -9.283 10.691 2.597 1.00 62.22 H new ATOM 0 HD2 ARG A 31 -8.668 11.779 0.508 1.00 75.15 H new ATOM 0 HD3 ARG A 31 -8.662 12.973 1.791 1.00 75.15 H new ATOM 0 HE ARG A 31 -6.084 12.435 1.863 1.00 4.15 H new ATOM 0 HH11 ARG A 31 -8.104 12.552 -1.071 1.00 3.24 H new ATOM 0 HH12 ARG A 31 -6.742 12.979 -2.111 1.00 3.24 H new ATOM 0 HH21 ARG A 31 -4.363 12.866 0.496 1.00 23.21 H new ATOM 0 HH22 ARG A 31 -4.636 13.154 -1.225 1.00 23.21 H new ATOM 509 N GLU A 32 -9.280 8.546 4.264 1.00 23.23 N ATOM 510 CA GLU A 32 -10.530 7.781 4.364 1.00 22.44 C ATOM 511 C GLU A 32 -10.469 6.851 5.595 1.00 14.34 C ATOM 512 O GLU A 32 -11.411 6.776 6.384 1.00 34.11 O ATOM 513 CB GLU A 32 -10.739 6.952 3.064 1.00 20.34 C ATOM 514 CG GLU A 32 -10.707 7.775 1.754 1.00 74.13 C ATOM 515 CD GLU A 32 -10.839 6.903 0.488 1.00 72.32 C ATOM 516 OE1 GLU A 32 -11.980 6.552 0.111 1.00 25.00 O ATOM 517 OE2 GLU A 32 -9.808 6.544 -0.124 1.00 73.23 O ATOM 0 H GLU A 32 -8.674 8.229 3.508 1.00 23.23 H new ATOM 0 HA GLU A 32 -11.371 8.464 4.482 1.00 22.44 H new ATOM 0 HB2 GLU A 32 -9.967 6.184 3.012 1.00 20.34 H new ATOM 0 HB3 GLU A 32 -11.697 6.437 3.129 1.00 20.34 H new ATOM 0 HG2 GLU A 32 -11.516 8.505 1.771 1.00 74.13 H new ATOM 0 HG3 GLU A 32 -9.773 8.335 1.706 1.00 74.13 H new ATOM 524 N VAL A 33 -9.310 6.190 5.748 1.00 51.42 N ATOM 525 CA VAL A 33 -9.052 5.213 6.813 1.00 14.02 C ATOM 526 C VAL A 33 -9.094 5.853 8.209 1.00 61.51 C ATOM 527 O VAL A 33 -9.678 5.282 9.108 1.00 14.14 O ATOM 528 CB VAL A 33 -7.661 4.504 6.585 1.00 23.33 C ATOM 529 CG1 VAL A 33 -7.171 3.737 7.838 1.00 24.20 C ATOM 530 CG2 VAL A 33 -7.721 3.563 5.356 1.00 14.23 C ATOM 0 H VAL A 33 -8.514 6.323 5.124 1.00 51.42 H new ATOM 0 HA VAL A 33 -9.848 4.470 6.768 1.00 14.02 H new ATOM 0 HB VAL A 33 -6.933 5.292 6.392 1.00 23.33 H new ATOM 0 HG11 VAL A 33 -6.210 3.269 7.625 1.00 24.20 H new ATOM 0 HG12 VAL A 33 -7.059 4.433 8.670 1.00 24.20 H new ATOM 0 HG13 VAL A 33 -7.898 2.969 8.102 1.00 24.20 H new ATOM 0 HG21 VAL A 33 -6.752 3.084 5.217 1.00 14.23 H new ATOM 0 HG22 VAL A 33 -8.482 2.800 5.519 1.00 14.23 H new ATOM 0 HG23 VAL A 33 -7.971 4.141 4.467 1.00 14.23 H new ATOM 540 N GLN A 34 -8.477 7.033 8.374 1.00 72.54 N ATOM 541 CA GLN A 34 -8.331 7.675 9.696 1.00 41.40 C ATOM 542 C GLN A 34 -9.702 8.046 10.306 1.00 23.13 C ATOM 543 O GLN A 34 -9.868 7.999 11.527 1.00 14.32 O ATOM 544 CB GLN A 34 -7.420 8.933 9.612 1.00 72.13 C ATOM 545 CG GLN A 34 -5.981 8.681 9.101 1.00 2.55 C ATOM 546 CD GLN A 34 -5.154 7.714 9.956 1.00 2.01 C ATOM 547 OE1 GLN A 34 -4.474 8.126 10.899 1.00 30.02 O ATOM 548 NE2 GLN A 34 -5.194 6.429 9.632 1.00 44.52 N ATOM 0 H GLN A 34 -8.068 7.567 7.607 1.00 72.54 H new ATOM 0 HA GLN A 34 -7.856 6.947 10.354 1.00 41.40 H new ATOM 0 HB2 GLN A 34 -7.897 9.662 8.957 1.00 72.13 H new ATOM 0 HB3 GLN A 34 -7.361 9.384 10.602 1.00 72.13 H new ATOM 0 HG2 GLN A 34 -6.035 8.290 8.085 1.00 2.55 H new ATOM 0 HG3 GLN A 34 -5.457 9.635 9.048 1.00 2.55 H new ATOM 0 HE21 GLN A 34 -5.766 6.119 8.847 1.00 44.52 H new ATOM 0 HE22 GLN A 34 -4.653 5.751 10.168 1.00 44.52 H new ATOM 557 N LYS A 35 -10.689 8.391 9.451 1.00 70.21 N ATOM 558 CA LYS A 35 -12.044 8.779 9.911 1.00 54.24 C ATOM 559 C LYS A 35 -12.993 7.556 10.010 1.00 14.31 C ATOM 560 O LYS A 35 -14.061 7.647 10.619 1.00 34.01 O ATOM 561 CB LYS A 35 -12.618 9.942 9.025 1.00 65.31 C ATOM 562 CG LYS A 35 -12.733 9.673 7.497 1.00 32.21 C ATOM 563 CD LYS A 35 -14.076 9.020 7.081 1.00 23.44 C ATOM 564 CE LYS A 35 -14.183 8.782 5.566 1.00 72.55 C ATOM 565 NZ LYS A 35 -15.488 8.166 5.188 1.00 75.44 N ATOM 0 H LYS A 35 -10.574 8.409 8.438 1.00 70.21 H new ATOM 0 HA LYS A 35 -11.965 9.167 10.927 1.00 54.24 H new ATOM 0 HB2 LYS A 35 -13.609 10.196 9.400 1.00 65.31 H new ATOM 0 HB3 LYS A 35 -11.988 10.820 9.168 1.00 65.31 H new ATOM 0 HG2 LYS A 35 -12.615 10.615 6.961 1.00 32.21 H new ATOM 0 HG3 LYS A 35 -11.913 9.025 7.188 1.00 32.21 H new ATOM 0 HD2 LYS A 35 -14.188 8.069 7.602 1.00 23.44 H new ATOM 0 HD3 LYS A 35 -14.899 9.658 7.402 1.00 23.44 H new ATOM 0 HE2 LYS A 35 -14.064 9.730 5.041 1.00 72.55 H new ATOM 0 HE3 LYS A 35 -13.369 8.134 5.242 1.00 72.55 H new ATOM 0 HZ1 LYS A 35 -15.384 7.659 4.286 1.00 75.44 H new ATOM 0 HZ2 LYS A 35 -15.784 7.498 5.928 1.00 75.44 H new ATOM 0 HZ3 LYS A 35 -16.207 8.911 5.086 1.00 75.44 H new ATOM 579 N GLN A 36 -12.594 6.415 9.414 1.00 50.05 N ATOM 580 CA GLN A 36 -13.336 5.132 9.538 1.00 52.51 C ATOM 581 C GLN A 36 -12.777 4.285 10.696 1.00 61.13 C ATOM 582 O GLN A 36 -13.490 3.480 11.303 1.00 43.35 O ATOM 583 CB GLN A 36 -13.254 4.321 8.212 1.00 55.12 C ATOM 584 CG GLN A 36 -13.976 4.954 7.010 1.00 71.15 C ATOM 585 CD GLN A 36 -15.467 5.167 7.251 1.00 75.55 C ATOM 586 OE1 GLN A 36 -15.896 6.237 7.690 1.00 32.01 O ATOM 587 NE2 GLN A 36 -16.271 4.152 6.978 1.00 12.10 N ATOM 0 H GLN A 36 -11.756 6.350 8.836 1.00 50.05 H new ATOM 0 HA GLN A 36 -14.379 5.370 9.747 1.00 52.51 H new ATOM 0 HB2 GLN A 36 -12.204 4.184 7.953 1.00 55.12 H new ATOM 0 HB3 GLN A 36 -13.672 3.329 8.385 1.00 55.12 H new ATOM 0 HG2 GLN A 36 -13.511 5.912 6.778 1.00 71.15 H new ATOM 0 HG3 GLN A 36 -13.843 4.316 6.137 1.00 71.15 H new ATOM 0 HE21 GLN A 36 -15.886 3.280 6.616 1.00 12.10 H new ATOM 0 HE22 GLN A 36 -17.276 4.242 7.130 1.00 12.10 H new ATOM 596 N TYR A 37 -11.478 4.462 10.964 1.00 71.13 N ATOM 597 CA TYR A 37 -10.716 3.695 11.956 1.00 60.41 C ATOM 598 C TYR A 37 -9.818 4.706 12.723 1.00 42.43 C ATOM 599 O TYR A 37 -8.674 4.951 12.312 1.00 1.54 O ATOM 600 CB TYR A 37 -9.842 2.598 11.257 1.00 11.54 C ATOM 601 CG TYR A 37 -10.534 1.796 10.131 1.00 14.13 C ATOM 602 CD1 TYR A 37 -11.416 0.751 10.408 1.00 5.25 C ATOM 603 CD2 TYR A 37 -10.319 2.115 8.782 1.00 10.20 C ATOM 604 CE1 TYR A 37 -12.054 0.065 9.386 1.00 12.14 C ATOM 605 CE2 TYR A 37 -10.946 1.428 7.766 1.00 43.31 C ATOM 606 CZ TYR A 37 -11.815 0.409 8.071 1.00 14.52 C ATOM 607 OH TYR A 37 -12.468 -0.256 7.060 1.00 61.55 O ATOM 0 H TYR A 37 -10.913 5.162 10.484 1.00 71.13 H new ATOM 0 HA TYR A 37 -11.388 3.179 12.642 1.00 60.41 H new ATOM 0 HB2 TYR A 37 -8.956 3.078 10.842 1.00 11.54 H new ATOM 0 HB3 TYR A 37 -9.498 1.896 12.017 1.00 11.54 H new ATOM 0 HD1 TYR A 37 -11.605 0.472 11.434 1.00 5.25 H new ATOM 0 HD2 TYR A 37 -9.644 2.921 8.533 1.00 10.20 H new ATOM 0 HE1 TYR A 37 -12.738 -0.738 9.619 1.00 12.14 H new ATOM 0 HE2 TYR A 37 -10.755 1.689 6.736 1.00 43.31 H new ATOM 0 HH TYR A 37 -12.188 0.108 6.194 1.00 61.55 H new ATOM 617 N PRO A 38 -10.346 5.349 13.811 1.00 41.25 N ATOM 618 CA PRO A 38 -9.666 6.493 14.492 1.00 62.30 C ATOM 619 C PRO A 38 -8.298 6.151 15.129 1.00 40.52 C ATOM 620 O PRO A 38 -7.431 7.027 15.240 1.00 51.04 O ATOM 621 CB PRO A 38 -10.700 6.936 15.563 1.00 44.44 C ATOM 622 CG PRO A 38 -11.569 5.731 15.787 1.00 43.21 C ATOM 623 CD PRO A 38 -11.661 5.040 14.443 1.00 71.03 C ATOM 0 HA PRO A 38 -9.404 7.271 13.775 1.00 62.30 H new ATOM 0 HB2 PRO A 38 -10.206 7.243 16.485 1.00 44.44 H new ATOM 0 HB3 PRO A 38 -11.287 7.787 15.217 1.00 44.44 H new ATOM 0 HG2 PRO A 38 -11.137 5.070 16.539 1.00 43.21 H new ATOM 0 HG3 PRO A 38 -12.556 6.021 16.147 1.00 43.21 H new ATOM 0 HD2 PRO A 38 -11.813 3.966 14.552 1.00 71.03 H new ATOM 0 HD3 PRO A 38 -12.492 5.421 13.850 1.00 71.03 H new ATOM 631 N ASN A 39 -8.106 4.889 15.554 1.00 75.22 N ATOM 632 CA ASN A 39 -6.855 4.449 16.228 1.00 61.11 C ATOM 633 C ASN A 39 -5.977 3.602 15.280 1.00 32.31 C ATOM 634 O ASN A 39 -4.972 3.019 15.716 1.00 74.42 O ATOM 635 CB ASN A 39 -7.156 3.651 17.541 1.00 51.14 C ATOM 636 CG ASN A 39 -7.835 4.452 18.664 1.00 64.34 C ATOM 637 OD1 ASN A 39 -7.492 4.300 19.842 1.00 43.04 O ATOM 638 ND2 ASN A 39 -8.845 5.248 18.337 1.00 62.50 N ATOM 0 H ASN A 39 -8.799 4.149 15.445 1.00 75.22 H new ATOM 0 HA ASN A 39 -6.305 5.351 16.498 1.00 61.11 H new ATOM 0 HB2 ASN A 39 -7.790 2.801 17.291 1.00 51.14 H new ATOM 0 HB3 ASN A 39 -6.218 3.247 17.923 1.00 51.14 H new ATOM 0 HD21 ASN A 39 -9.355 5.749 19.064 1.00 62.50 H new ATOM 0 HD22 ASN A 39 -9.111 5.359 17.359 1.00 62.50 H new ATOM 645 N ALA A 40 -6.343 3.557 13.979 1.00 43.42 N ATOM 646 CA ALA A 40 -5.562 2.827 12.964 1.00 53.42 C ATOM 647 C ALA A 40 -4.312 3.630 12.577 1.00 53.34 C ATOM 648 O ALA A 40 -4.405 4.805 12.189 1.00 24.13 O ATOM 649 CB ALA A 40 -6.405 2.527 11.723 1.00 11.23 C ATOM 0 H ALA A 40 -7.175 4.019 13.611 1.00 43.42 H new ATOM 0 HA ALA A 40 -5.254 1.876 13.398 1.00 53.42 H new ATOM 0 HB1 ALA A 40 -5.800 1.988 10.994 1.00 11.23 H new ATOM 0 HB2 ALA A 40 -7.263 1.917 12.005 1.00 11.23 H new ATOM 0 HB3 ALA A 40 -6.753 3.462 11.285 1.00 11.23 H new ATOM 655 N THR A 41 -3.153 2.979 12.690 1.00 0.31 N ATOM 656 CA THR A 41 -1.850 3.570 12.407 1.00 53.13 C ATOM 657 C THR A 41 -1.316 3.006 11.081 1.00 42.52 C ATOM 658 O THR A 41 -1.073 1.798 10.962 1.00 24.44 O ATOM 659 CB THR A 41 -0.872 3.246 13.578 1.00 61.42 C ATOM 660 OG1 THR A 41 -1.447 3.693 14.821 1.00 25.54 O ATOM 661 CG2 THR A 41 0.513 3.884 13.392 1.00 31.22 C ATOM 0 H THR A 41 -3.096 2.005 12.988 1.00 0.31 H new ATOM 0 HA THR A 41 -1.940 4.653 12.316 1.00 53.13 H new ATOM 0 HB THR A 41 -0.728 2.166 13.588 1.00 61.42 H new ATOM 0 HG1 THR A 41 -0.731 3.941 15.442 1.00 25.54 H new ATOM 0 HG21 THR A 41 1.150 3.624 14.237 1.00 31.22 H new ATOM 0 HG22 THR A 41 0.963 3.514 12.471 1.00 31.22 H new ATOM 0 HG23 THR A 41 0.410 4.968 13.336 1.00 31.22 H new ATOM 669 N ILE A 42 -1.180 3.883 10.086 1.00 43.20 N ATOM 670 CA ILE A 42 -0.625 3.543 8.774 1.00 24.13 C ATOM 671 C ILE A 42 0.853 3.970 8.754 1.00 33.42 C ATOM 672 O ILE A 42 1.166 5.161 8.663 1.00 22.01 O ATOM 673 CB ILE A 42 -1.473 4.239 7.636 1.00 64.15 C ATOM 674 CG1 ILE A 42 -2.929 3.667 7.629 1.00 64.20 C ATOM 675 CG2 ILE A 42 -0.819 4.107 6.247 1.00 71.44 C ATOM 676 CD1 ILE A 42 -3.826 4.204 6.527 1.00 53.51 C ATOM 0 H ILE A 42 -1.455 4.862 10.169 1.00 43.20 H new ATOM 0 HA ILE A 42 -0.676 2.470 8.590 1.00 24.13 H new ATOM 0 HB ILE A 42 -1.509 5.305 7.858 1.00 64.15 H new ATOM 0 HG12 ILE A 42 -2.876 2.582 7.537 1.00 64.20 H new ATOM 0 HG13 ILE A 42 -3.393 3.883 8.592 1.00 64.20 H new ATOM 0 HG21 ILE A 42 -1.443 4.602 5.503 1.00 71.44 H new ATOM 0 HG22 ILE A 42 0.166 4.573 6.263 1.00 71.44 H new ATOM 0 HG23 ILE A 42 -0.717 3.052 5.991 1.00 71.44 H new ATOM 0 HD11 ILE A 42 -4.813 3.748 6.607 1.00 53.51 H new ATOM 0 HD12 ILE A 42 -3.917 5.286 6.627 1.00 53.51 H new ATOM 0 HD13 ILE A 42 -3.393 3.964 5.556 1.00 53.51 H new ATOM 688 N THR A 43 1.752 2.980 8.917 1.00 52.01 N ATOM 689 CA THR A 43 3.203 3.193 8.914 1.00 74.22 C ATOM 690 C THR A 43 3.784 2.616 7.611 1.00 62.25 C ATOM 691 O THR A 43 3.816 1.387 7.420 1.00 23.30 O ATOM 692 CB THR A 43 3.846 2.513 10.171 1.00 10.15 C ATOM 693 OG1 THR A 43 3.185 2.985 11.356 1.00 52.04 O ATOM 694 CG2 THR A 43 5.357 2.792 10.294 1.00 23.45 C ATOM 0 H THR A 43 1.485 2.005 9.055 1.00 52.01 H new ATOM 0 HA THR A 43 3.428 4.258 8.962 1.00 74.22 H new ATOM 0 HB THR A 43 3.721 1.437 10.054 1.00 10.15 H new ATOM 0 HG1 THR A 43 3.584 2.560 12.144 1.00 52.04 H new ATOM 0 HG21 THR A 43 5.747 2.296 11.183 1.00 23.45 H new ATOM 0 HG22 THR A 43 5.870 2.411 9.411 1.00 23.45 H new ATOM 0 HG23 THR A 43 5.523 3.866 10.376 1.00 23.45 H new ATOM 702 N ARG A 44 4.167 3.511 6.690 1.00 62.12 N ATOM 703 CA ARG A 44 4.709 3.144 5.370 1.00 61.30 C ATOM 704 C ARG A 44 6.196 3.514 5.288 1.00 61.11 C ATOM 705 O ARG A 44 6.625 4.550 5.810 1.00 13.13 O ATOM 706 CB ARG A 44 3.899 3.836 4.211 1.00 51.21 C ATOM 707 CG ARG A 44 3.018 2.892 3.346 1.00 31.50 C ATOM 708 CD ARG A 44 1.685 2.480 3.989 1.00 63.53 C ATOM 709 NE ARG A 44 1.829 1.653 5.188 1.00 23.21 N ATOM 710 CZ ARG A 44 0.838 0.986 5.790 1.00 54.15 C ATOM 711 NH1 ARG A 44 -0.403 0.997 5.308 1.00 71.04 N ATOM 712 NH2 ARG A 44 1.081 0.376 6.921 1.00 24.54 N ATOM 0 H ARG A 44 4.110 4.518 6.839 1.00 62.12 H new ATOM 0 HA ARG A 44 4.609 2.066 5.247 1.00 61.30 H new ATOM 0 HB2 ARG A 44 3.258 4.602 4.648 1.00 51.21 H new ATOM 0 HB3 ARG A 44 4.604 4.347 3.555 1.00 51.21 H new ATOM 0 HG2 ARG A 44 2.809 3.384 2.396 1.00 31.50 H new ATOM 0 HG3 ARG A 44 3.589 1.992 3.120 1.00 31.50 H new ATOM 0 HD2 ARG A 44 1.125 3.379 4.246 1.00 63.53 H new ATOM 0 HD3 ARG A 44 1.093 1.935 3.254 1.00 63.53 H new ATOM 0 HE ARG A 44 2.760 1.579 5.598 1.00 23.21 H new ATOM 0 HH11 ARG A 44 -0.616 1.523 4.460 1.00 71.04 H new ATOM 0 HH12 ARG A 44 -1.141 0.480 5.786 1.00 71.04 H new ATOM 0 HH21 ARG A 44 2.014 0.414 7.330 1.00 24.54 H new ATOM 0 HH22 ARG A 44 0.337 -0.137 7.394 1.00 24.54 H new ATOM 726 N THR A 45 6.966 2.636 4.638 1.00 43.12 N ATOM 727 CA THR A 45 8.367 2.861 4.314 1.00 0.34 C ATOM 728 C THR A 45 8.639 2.188 2.959 1.00 35.21 C ATOM 729 O THR A 45 8.586 0.960 2.852 1.00 13.55 O ATOM 730 CB THR A 45 9.309 2.283 5.432 1.00 2.40 C ATOM 731 OG1 THR A 45 8.998 2.896 6.694 1.00 22.31 O ATOM 732 CG2 THR A 45 10.796 2.508 5.109 1.00 34.20 C ATOM 0 H THR A 45 6.620 1.731 4.318 1.00 43.12 H new ATOM 0 HA THR A 45 8.574 3.929 4.256 1.00 0.34 H new ATOM 0 HB THR A 45 9.136 1.208 5.481 1.00 2.40 H new ATOM 0 HG1 THR A 45 9.586 2.532 7.388 1.00 22.31 H new ATOM 0 HG21 THR A 45 11.409 2.093 5.909 1.00 34.20 H new ATOM 0 HG22 THR A 45 11.043 2.015 4.169 1.00 34.20 H new ATOM 0 HG23 THR A 45 10.991 3.577 5.020 1.00 34.20 H new ATOM 740 N LEU A 46 8.841 2.992 1.913 1.00 13.33 N ATOM 741 CA LEU A 46 9.152 2.483 0.567 1.00 34.22 C ATOM 742 C LEU A 46 10.656 2.621 0.311 1.00 73.45 C ATOM 743 O LEU A 46 11.287 3.568 0.794 1.00 31.53 O ATOM 744 CB LEU A 46 8.340 3.224 -0.536 1.00 23.00 C ATOM 745 CG LEU A 46 6.779 3.040 -0.509 1.00 61.33 C ATOM 746 CD1 LEU A 46 6.100 3.900 0.580 1.00 43.44 C ATOM 747 CD2 LEU A 46 6.158 3.304 -1.896 1.00 33.33 C ATOM 0 H LEU A 46 8.795 4.009 1.970 1.00 13.33 H new ATOM 0 HA LEU A 46 8.865 1.432 0.522 1.00 34.22 H new ATOM 0 HB2 LEU A 46 8.558 4.289 -0.461 1.00 23.00 H new ATOM 0 HB3 LEU A 46 8.705 2.892 -1.508 1.00 23.00 H new ATOM 0 HG LEU A 46 6.593 1.998 -0.248 1.00 61.33 H new ATOM 0 HD11 LEU A 46 5.023 3.735 0.555 1.00 43.44 H new ATOM 0 HD12 LEU A 46 6.487 3.619 1.559 1.00 43.44 H new ATOM 0 HD13 LEU A 46 6.310 4.953 0.395 1.00 43.44 H new ATOM 0 HD21 LEU A 46 5.078 3.168 -1.843 1.00 33.33 H new ATOM 0 HD22 LEU A 46 6.381 4.325 -2.206 1.00 33.33 H new ATOM 0 HD23 LEU A 46 6.576 2.605 -2.621 1.00 33.33 H new ATOM 759 N THR A 47 11.224 1.653 -0.410 1.00 42.22 N ATOM 760 CA THR A 47 12.636 1.658 -0.820 1.00 24.12 C ATOM 761 C THR A 47 12.716 1.280 -2.306 1.00 63.24 C ATOM 762 O THR A 47 11.939 0.441 -2.765 1.00 24.14 O ATOM 763 CB THR A 47 13.463 0.655 0.060 1.00 61.10 C ATOM 764 OG1 THR A 47 13.338 1.017 1.443 1.00 64.11 O ATOM 765 CG2 THR A 47 14.958 0.607 -0.317 1.00 54.23 C ATOM 0 H THR A 47 10.713 0.831 -0.732 1.00 42.22 H new ATOM 0 HA THR A 47 13.062 2.651 -0.677 1.00 24.12 H new ATOM 0 HB THR A 47 13.053 -0.338 -0.123 1.00 61.10 H new ATOM 0 HG1 THR A 47 13.853 0.390 1.993 1.00 64.11 H new ATOM 0 HG21 THR A 47 15.473 -0.105 0.328 1.00 54.23 H new ATOM 0 HG22 THR A 47 15.061 0.295 -1.356 1.00 54.23 H new ATOM 0 HG23 THR A 47 15.397 1.596 -0.189 1.00 54.23 H new ATOM 773 N ARG A 48 13.639 1.900 -3.068 1.00 5.13 N ATOM 774 CA ARG A 48 13.856 1.526 -4.478 1.00 70.42 C ATOM 775 C ARG A 48 14.799 0.315 -4.538 1.00 54.35 C ATOM 776 O ARG A 48 15.643 0.113 -3.652 1.00 52.01 O ATOM 777 CB ARG A 48 14.425 2.695 -5.335 1.00 50.11 C ATOM 778 CG ARG A 48 13.432 3.841 -5.654 1.00 3.04 C ATOM 779 CD ARG A 48 13.168 4.767 -4.466 1.00 65.41 C ATOM 780 NE ARG A 48 14.403 5.403 -3.972 1.00 34.22 N ATOM 781 CZ ARG A 48 14.469 6.535 -3.248 1.00 20.41 C ATOM 782 NH1 ARG A 48 13.362 7.197 -2.902 1.00 31.30 N ATOM 783 NH2 ARG A 48 15.657 6.999 -2.873 1.00 30.23 N ATOM 0 H ARG A 48 14.240 2.654 -2.735 1.00 5.13 H new ATOM 0 HA ARG A 48 12.885 1.274 -4.906 1.00 70.42 H new ATOM 0 HB2 ARG A 48 15.284 3.118 -4.814 1.00 50.11 H new ATOM 0 HB3 ARG A 48 14.793 2.286 -6.276 1.00 50.11 H new ATOM 0 HG2 ARG A 48 13.823 4.430 -6.484 1.00 3.04 H new ATOM 0 HG3 ARG A 48 12.487 3.411 -5.986 1.00 3.04 H new ATOM 0 HD2 ARG A 48 12.456 5.538 -4.760 1.00 65.41 H new ATOM 0 HD3 ARG A 48 12.706 4.198 -3.659 1.00 65.41 H new ATOM 0 HE ARG A 48 15.285 4.944 -4.199 1.00 34.22 H new ATOM 0 HH11 ARG A 48 12.448 6.846 -3.187 1.00 31.30 H new ATOM 0 HH12 ARG A 48 13.431 8.054 -2.353 1.00 31.30 H new ATOM 0 HH21 ARG A 48 16.506 6.498 -3.134 1.00 30.23 H new ATOM 0 HH22 ARG A 48 15.720 7.856 -2.324 1.00 30.23 H new ATOM 797 N ASP A 49 14.646 -0.458 -5.602 1.00 54.34 N ATOM 798 CA ASP A 49 15.334 -1.742 -5.805 1.00 31.13 C ATOM 799 C ASP A 49 15.540 -1.929 -7.322 1.00 71.03 C ATOM 800 O ASP A 49 15.034 -1.116 -8.113 1.00 73.35 O ATOM 801 CB ASP A 49 14.464 -2.876 -5.175 1.00 4.13 C ATOM 802 CG ASP A 49 15.175 -4.240 -5.072 1.00 75.31 C ATOM 803 OD1 ASP A 49 15.893 -4.472 -4.070 1.00 3.42 O ATOM 804 OD2 ASP A 49 15.029 -5.086 -5.987 1.00 51.22 O ATOM 0 H ASP A 49 14.026 -0.211 -6.373 1.00 54.34 H new ATOM 0 HA ASP A 49 16.310 -1.770 -5.321 1.00 31.13 H new ATOM 0 HB2 ASP A 49 14.152 -2.566 -4.178 1.00 4.13 H new ATOM 0 HB3 ASP A 49 13.558 -2.996 -5.770 1.00 4.13 H new ATOM 809 N ASP A 50 16.266 -2.987 -7.727 1.00 52.53 N ATOM 810 CA ASP A 50 16.605 -3.250 -9.136 1.00 62.34 C ATOM 811 C ASP A 50 15.329 -3.522 -9.967 1.00 73.33 C ATOM 812 O ASP A 50 14.827 -4.654 -10.025 1.00 74.22 O ATOM 813 CB ASP A 50 17.619 -4.424 -9.208 1.00 64.14 C ATOM 814 CG ASP A 50 18.148 -4.698 -10.623 1.00 35.51 C ATOM 815 OD1 ASP A 50 18.987 -3.909 -11.115 1.00 62.43 O ATOM 816 OD2 ASP A 50 17.743 -5.707 -11.243 1.00 31.31 O ATOM 0 H ASP A 50 16.635 -3.686 -7.083 1.00 52.53 H new ATOM 0 HA ASP A 50 17.075 -2.369 -9.572 1.00 62.34 H new ATOM 0 HB2 ASP A 50 18.461 -4.206 -8.551 1.00 64.14 H new ATOM 0 HB3 ASP A 50 17.143 -5.327 -8.827 1.00 64.14 H new ATOM 821 N GLY A 51 14.774 -2.433 -10.527 1.00 74.44 N ATOM 822 CA GLY A 51 13.546 -2.478 -11.332 1.00 61.43 C ATOM 823 C GLY A 51 12.282 -2.687 -10.493 1.00 54.42 C ATOM 824 O GLY A 51 11.221 -3.049 -11.026 1.00 13.24 O ATOM 0 H GLY A 51 15.167 -1.496 -10.433 1.00 74.44 H new ATOM 0 HA2 GLY A 51 13.452 -1.548 -11.893 1.00 61.43 H new ATOM 0 HA3 GLY A 51 13.627 -3.283 -12.062 1.00 61.43 H new ATOM 828 N THR A 52 12.406 -2.453 -9.173 1.00 70.11 N ATOM 829 CA THR A 52 11.380 -2.811 -8.175 1.00 72.40 C ATOM 830 C THR A 52 11.277 -1.717 -7.074 1.00 62.32 C ATOM 831 O THR A 52 12.212 -0.950 -6.867 1.00 51.02 O ATOM 832 CB THR A 52 11.737 -4.202 -7.525 1.00 31.03 C ATOM 833 OG1 THR A 52 12.031 -5.162 -8.558 1.00 72.53 O ATOM 834 CG2 THR A 52 10.615 -4.764 -6.632 1.00 51.51 C ATOM 0 H THR A 52 13.228 -2.007 -8.766 1.00 70.11 H new ATOM 0 HA THR A 52 10.414 -2.883 -8.676 1.00 72.40 H new ATOM 0 HB THR A 52 12.605 -4.030 -6.889 1.00 31.03 H new ATOM 0 HG1 THR A 52 12.896 -4.949 -8.966 1.00 72.53 H new ATOM 0 HG21 THR A 52 10.926 -5.722 -6.217 1.00 51.51 H new ATOM 0 HG22 THR A 52 10.412 -4.066 -5.820 1.00 51.51 H new ATOM 0 HG23 THR A 52 9.712 -4.902 -7.226 1.00 51.51 H new ATOM 842 N VAL A 53 10.113 -1.636 -6.413 1.00 52.14 N ATOM 843 CA VAL A 53 9.905 -0.849 -5.179 1.00 64.22 C ATOM 844 C VAL A 53 9.453 -1.823 -4.080 1.00 42.23 C ATOM 845 O VAL A 53 8.491 -2.562 -4.285 1.00 13.14 O ATOM 846 CB VAL A 53 8.796 0.267 -5.343 1.00 64.03 C ATOM 847 CG1 VAL A 53 8.645 1.117 -4.054 1.00 61.43 C ATOM 848 CG2 VAL A 53 9.074 1.165 -6.562 1.00 60.34 C ATOM 0 H VAL A 53 9.272 -2.123 -6.723 1.00 52.14 H new ATOM 0 HA VAL A 53 10.840 -0.345 -4.935 1.00 64.22 H new ATOM 0 HB VAL A 53 7.850 -0.246 -5.515 1.00 64.03 H new ATOM 0 HG11 VAL A 53 7.874 1.873 -4.205 1.00 61.43 H new ATOM 0 HG12 VAL A 53 8.362 0.471 -3.223 1.00 61.43 H new ATOM 0 HG13 VAL A 53 9.593 1.605 -3.827 1.00 61.43 H new ATOM 0 HG21 VAL A 53 8.292 1.920 -6.644 1.00 60.34 H new ATOM 0 HG22 VAL A 53 10.040 1.655 -6.440 1.00 60.34 H new ATOM 0 HG23 VAL A 53 9.087 0.557 -7.467 1.00 60.34 H new ATOM 858 N GLU A 54 10.133 -1.829 -2.927 1.00 41.44 N ATOM 859 CA GLU A 54 9.724 -2.653 -1.780 1.00 53.33 C ATOM 860 C GLU A 54 8.886 -1.774 -0.830 1.00 61.14 C ATOM 861 O GLU A 54 9.418 -0.883 -0.150 1.00 22.24 O ATOM 862 CB GLU A 54 10.960 -3.258 -1.062 1.00 3.52 C ATOM 863 CG GLU A 54 10.623 -4.344 -0.006 1.00 22.45 C ATOM 864 CD GLU A 54 11.871 -4.941 0.668 1.00 41.12 C ATOM 865 OE1 GLU A 54 12.635 -5.664 -0.009 1.00 74.43 O ATOM 866 OE2 GLU A 54 12.091 -4.693 1.878 1.00 73.41 O ATOM 0 H GLU A 54 10.971 -1.271 -2.762 1.00 41.44 H new ATOM 0 HA GLU A 54 9.121 -3.495 -2.119 1.00 53.33 H new ATOM 0 HB2 GLU A 54 11.624 -3.691 -1.811 1.00 3.52 H new ATOM 0 HB3 GLU A 54 11.511 -2.454 -0.574 1.00 3.52 H new ATOM 0 HG2 GLU A 54 9.977 -3.911 0.758 1.00 22.45 H new ATOM 0 HG3 GLU A 54 10.058 -5.144 -0.484 1.00 22.45 H new ATOM 873 N LEU A 55 7.575 -2.011 -0.838 1.00 62.31 N ATOM 874 CA LEU A 55 6.594 -1.272 -0.028 1.00 10.22 C ATOM 875 C LEU A 55 6.367 -2.031 1.290 1.00 30.45 C ATOM 876 O LEU A 55 5.888 -3.173 1.288 1.00 53.43 O ATOM 877 CB LEU A 55 5.269 -1.128 -0.838 1.00 52.23 C ATOM 878 CG LEU A 55 3.995 -0.668 -0.054 1.00 11.42 C ATOM 879 CD1 LEU A 55 4.153 0.740 0.538 1.00 72.34 C ATOM 880 CD2 LEU A 55 2.736 -0.766 -0.939 1.00 55.11 C ATOM 0 H LEU A 55 7.152 -2.736 -1.418 1.00 62.31 H new ATOM 0 HA LEU A 55 6.960 -0.272 0.207 1.00 10.22 H new ATOM 0 HB2 LEU A 55 5.443 -0.417 -1.646 1.00 52.23 H new ATOM 0 HB3 LEU A 55 5.051 -2.090 -1.302 1.00 52.23 H new ATOM 0 HG LEU A 55 3.872 -1.351 0.787 1.00 11.42 H new ATOM 0 HD11 LEU A 55 3.243 1.014 1.072 1.00 72.34 H new ATOM 0 HD12 LEU A 55 4.997 0.752 1.228 1.00 72.34 H new ATOM 0 HD13 LEU A 55 4.331 1.455 -0.266 1.00 72.34 H new ATOM 0 HD21 LEU A 55 1.865 -0.441 -0.370 1.00 55.11 H new ATOM 0 HD22 LEU A 55 2.856 -0.128 -1.815 1.00 55.11 H new ATOM 0 HD23 LEU A 55 2.595 -1.799 -1.259 1.00 55.11 H new ATOM 892 N ARG A 56 6.743 -1.401 2.413 1.00 72.43 N ATOM 893 CA ARG A 56 6.565 -1.980 3.750 1.00 62.40 C ATOM 894 C ARG A 56 5.251 -1.466 4.340 1.00 51.14 C ATOM 895 O ARG A 56 5.118 -0.269 4.639 1.00 12.14 O ATOM 896 CB ARG A 56 7.760 -1.621 4.678 1.00 60.24 C ATOM 897 CG ARG A 56 9.152 -1.966 4.099 1.00 11.21 C ATOM 898 CD ARG A 56 9.286 -3.428 3.654 1.00 1.04 C ATOM 899 NE ARG A 56 9.125 -4.372 4.776 1.00 62.32 N ATOM 900 CZ ARG A 56 9.603 -5.623 4.792 1.00 1.31 C ATOM 901 NH1 ARG A 56 10.284 -6.099 3.757 1.00 73.20 N ATOM 902 NH2 ARG A 56 9.400 -6.393 5.850 1.00 73.15 N ATOM 0 H ARG A 56 7.178 -0.478 2.419 1.00 72.43 H new ATOM 0 HA ARG A 56 6.530 -3.066 3.669 1.00 62.40 H new ATOM 0 HB2 ARG A 56 7.726 -0.553 4.895 1.00 60.24 H new ATOM 0 HB3 ARG A 56 7.636 -2.144 5.627 1.00 60.24 H new ATOM 0 HG2 ARG A 56 9.354 -1.316 3.248 1.00 11.21 H new ATOM 0 HG3 ARG A 56 9.912 -1.752 4.850 1.00 11.21 H new ATOM 0 HD2 ARG A 56 8.538 -3.643 2.891 1.00 1.04 H new ATOM 0 HD3 ARG A 56 10.263 -3.577 3.194 1.00 1.04 H new ATOM 0 HE ARG A 56 8.614 -4.049 5.597 1.00 62.32 H new ATOM 0 HH11 ARG A 56 10.447 -5.511 2.940 1.00 73.20 H new ATOM 0 HH12 ARG A 56 10.644 -7.053 3.779 1.00 73.20 H new ATOM 0 HH21 ARG A 56 8.880 -6.033 6.651 1.00 73.15 H new ATOM 0 HH22 ARG A 56 9.763 -7.346 5.864 1.00 73.15 H new ATOM 916 N ILE A 57 4.272 -2.369 4.454 1.00 3.21 N ATOM 917 CA ILE A 57 2.976 -2.078 5.060 1.00 24.43 C ATOM 918 C ILE A 57 3.003 -2.567 6.521 1.00 64.14 C ATOM 919 O ILE A 57 3.031 -3.768 6.776 1.00 15.31 O ATOM 920 CB ILE A 57 1.826 -2.807 4.261 1.00 4.31 C ATOM 921 CG1 ILE A 57 1.751 -2.326 2.776 1.00 3.53 C ATOM 922 CG2 ILE A 57 0.454 -2.648 4.956 1.00 23.42 C ATOM 923 CD1 ILE A 57 1.249 -0.905 2.574 1.00 62.44 C ATOM 0 H ILE A 57 4.361 -3.330 4.124 1.00 3.21 H new ATOM 0 HA ILE A 57 2.782 -1.006 5.030 1.00 24.43 H new ATOM 0 HB ILE A 57 2.078 -3.868 4.254 1.00 4.31 H new ATOM 0 HG12 ILE A 57 2.744 -2.408 2.335 1.00 3.53 H new ATOM 0 HG13 ILE A 57 1.100 -3.005 2.225 1.00 3.53 H new ATOM 0 HG21 ILE A 57 -0.310 -3.164 4.375 1.00 23.42 H new ATOM 0 HG22 ILE A 57 0.501 -3.078 5.956 1.00 23.42 H new ATOM 0 HG23 ILE A 57 0.203 -1.590 5.027 1.00 23.42 H new ATOM 0 HD11 ILE A 57 1.236 -0.672 1.509 1.00 62.44 H new ATOM 0 HD12 ILE A 57 0.241 -0.814 2.978 1.00 62.44 H new ATOM 0 HD13 ILE A 57 1.910 -0.209 3.090 1.00 62.44 H new ATOM 935 N LYS A 58 3.028 -1.624 7.471 1.00 31.13 N ATOM 936 CA LYS A 58 2.919 -1.925 8.908 1.00 3.44 C ATOM 937 C LYS A 58 1.662 -1.215 9.436 1.00 72.43 C ATOM 938 O LYS A 58 1.663 0.004 9.630 1.00 24.20 O ATOM 939 CB LYS A 58 4.213 -1.440 9.625 1.00 63.13 C ATOM 940 CG LYS A 58 4.248 -1.668 11.154 1.00 44.24 C ATOM 941 CD LYS A 58 5.568 -1.173 11.796 1.00 13.12 C ATOM 942 CE LYS A 58 5.615 -1.385 13.322 1.00 75.12 C ATOM 943 NZ LYS A 58 5.488 -2.820 13.708 1.00 21.53 N ATOM 0 H LYS A 58 3.124 -0.629 7.267 1.00 31.13 H new ATOM 0 HA LYS A 58 2.823 -2.994 9.096 1.00 3.44 H new ATOM 0 HB2 LYS A 58 5.068 -1.949 9.179 1.00 63.13 H new ATOM 0 HB3 LYS A 58 4.339 -0.375 9.430 1.00 63.13 H new ATOM 0 HG2 LYS A 58 3.407 -1.150 11.615 1.00 44.24 H new ATOM 0 HG3 LYS A 58 4.122 -2.730 11.363 1.00 44.24 H new ATOM 0 HD2 LYS A 58 6.407 -1.696 11.337 1.00 13.12 H new ATOM 0 HD3 LYS A 58 5.696 -0.113 11.578 1.00 13.12 H new ATOM 0 HE2 LYS A 58 6.554 -0.990 13.711 1.00 75.12 H new ATOM 0 HE3 LYS A 58 4.812 -0.815 13.789 1.00 75.12 H new ATOM 0 HZ1 LYS A 58 5.475 -2.901 14.745 1.00 21.53 H new ATOM 0 HZ2 LYS A 58 4.605 -3.207 13.319 1.00 21.53 H new ATOM 0 HZ3 LYS A 58 6.296 -3.354 13.330 1.00 21.53 H new ATOM 957 N VAL A 59 0.569 -1.975 9.600 1.00 31.42 N ATOM 958 CA VAL A 59 -0.745 -1.444 10.014 1.00 43.12 C ATOM 959 C VAL A 59 -1.055 -1.912 11.436 1.00 32.42 C ATOM 960 O VAL A 59 -1.096 -3.114 11.692 1.00 24.13 O ATOM 961 CB VAL A 59 -1.911 -1.919 9.058 1.00 73.35 C ATOM 962 CG1 VAL A 59 -3.292 -1.466 9.582 1.00 12.34 C ATOM 963 CG2 VAL A 59 -1.699 -1.430 7.609 1.00 2.24 C ATOM 0 H VAL A 59 0.569 -2.984 9.449 1.00 31.42 H new ATOM 0 HA VAL A 59 -0.688 -0.357 9.963 1.00 43.12 H new ATOM 0 HB VAL A 59 -1.888 -3.009 9.052 1.00 73.35 H new ATOM 0 HG11 VAL A 59 -4.070 -1.810 8.901 1.00 12.34 H new ATOM 0 HG12 VAL A 59 -3.463 -1.890 10.571 1.00 12.34 H new ATOM 0 HG13 VAL A 59 -3.319 -0.378 9.644 1.00 12.34 H new ATOM 0 HG21 VAL A 59 -2.522 -1.777 6.984 1.00 2.24 H new ATOM 0 HG22 VAL A 59 -1.667 -0.341 7.594 1.00 2.24 H new ATOM 0 HG23 VAL A 59 -0.759 -1.826 7.225 1.00 2.24 H new ATOM 973 N LYS A 60 -1.261 -0.961 12.351 1.00 11.21 N ATOM 974 CA LYS A 60 -1.727 -1.255 13.708 1.00 1.13 C ATOM 975 C LYS A 60 -3.218 -0.884 13.801 1.00 13.42 C ATOM 976 O LYS A 60 -3.565 0.298 13.760 1.00 52.53 O ATOM 977 CB LYS A 60 -0.881 -0.467 14.735 1.00 73.45 C ATOM 978 CG LYS A 60 -1.238 -0.751 16.208 1.00 31.11 C ATOM 979 CD LYS A 60 -0.332 0.007 17.205 1.00 61.24 C ATOM 980 CE LYS A 60 -0.431 1.535 17.057 1.00 23.05 C ATOM 981 NZ LYS A 60 0.470 2.254 17.999 1.00 44.44 N ATOM 0 H LYS A 60 -1.110 0.032 12.172 1.00 11.21 H new ATOM 0 HA LYS A 60 -1.612 -2.315 13.933 1.00 1.13 H new ATOM 0 HB2 LYS A 60 0.171 -0.703 14.577 1.00 73.45 H new ATOM 0 HB3 LYS A 60 -1.001 0.599 14.544 1.00 73.45 H new ATOM 0 HG2 LYS A 60 -2.277 -0.472 16.385 1.00 31.11 H new ATOM 0 HG3 LYS A 60 -1.159 -1.822 16.395 1.00 31.11 H new ATOM 0 HD2 LYS A 60 -0.605 -0.273 18.222 1.00 61.24 H new ATOM 0 HD3 LYS A 60 0.703 -0.302 17.056 1.00 61.24 H new ATOM 0 HE2 LYS A 60 -0.181 1.815 16.034 1.00 23.05 H new ATOM 0 HE3 LYS A 60 -1.460 1.849 17.231 1.00 23.05 H new ATOM 0 HZ1 LYS A 60 0.368 3.280 17.862 1.00 44.44 H new ATOM 0 HZ2 LYS A 60 0.217 2.009 18.977 1.00 44.44 H new ATOM 0 HZ3 LYS A 60 1.456 1.977 17.817 1.00 44.44 H new ATOM 995 N ALA A 61 -4.090 -1.893 13.913 1.00 3.15 N ATOM 996 CA ALA A 61 -5.558 -1.701 13.918 1.00 24.52 C ATOM 997 C ALA A 61 -6.201 -2.585 14.988 1.00 5.24 C ATOM 998 O ALA A 61 -5.602 -3.587 15.411 1.00 64.24 O ATOM 999 CB ALA A 61 -6.155 -1.996 12.537 1.00 20.10 C ATOM 0 H ALA A 61 -3.805 -2.868 14.003 1.00 3.15 H new ATOM 0 HA ALA A 61 -5.769 -0.658 14.155 1.00 24.52 H new ATOM 0 HB1 ALA A 61 -7.234 -1.847 12.568 1.00 20.10 H new ATOM 0 HB2 ALA A 61 -5.717 -1.323 11.800 1.00 20.10 H new ATOM 0 HB3 ALA A 61 -5.939 -3.028 12.260 1.00 20.10 H new ATOM 1005 N ASP A 62 -7.433 -2.207 15.393 1.00 44.04 N ATOM 1006 CA ASP A 62 -8.147 -2.800 16.543 1.00 73.14 C ATOM 1007 C ASP A 62 -8.318 -4.324 16.391 1.00 31.21 C ATOM 1008 O ASP A 62 -8.040 -5.089 17.323 1.00 31.42 O ATOM 1009 CB ASP A 62 -9.528 -2.112 16.706 1.00 70.52 C ATOM 1010 CG ASP A 62 -10.272 -2.535 17.991 1.00 73.14 C ATOM 1011 OD1 ASP A 62 -10.044 -1.914 19.055 1.00 45.25 O ATOM 1012 OD2 ASP A 62 -11.097 -3.474 17.943 1.00 72.34 O ATOM 0 H ASP A 62 -7.965 -1.473 14.925 1.00 44.04 H new ATOM 0 HA ASP A 62 -7.547 -2.633 17.437 1.00 73.14 H new ATOM 0 HB2 ASP A 62 -9.389 -1.031 16.714 1.00 70.52 H new ATOM 0 HB3 ASP A 62 -10.148 -2.347 15.841 1.00 70.52 H new ATOM 1017 N THR A 63 -8.768 -4.743 15.199 1.00 43.54 N ATOM 1018 CA THR A 63 -8.924 -6.166 14.842 1.00 54.13 C ATOM 1019 C THR A 63 -8.112 -6.490 13.577 1.00 11.01 C ATOM 1020 O THR A 63 -7.702 -5.579 12.841 1.00 1.01 O ATOM 1021 CB THR A 63 -10.425 -6.529 14.591 1.00 21.20 C ATOM 1022 OG1 THR A 63 -10.971 -5.657 13.592 1.00 74.30 O ATOM 1023 CG2 THR A 63 -11.269 -6.445 15.875 1.00 3.52 C ATOM 0 H THR A 63 -9.036 -4.104 14.451 1.00 43.54 H new ATOM 0 HA THR A 63 -8.555 -6.757 15.681 1.00 54.13 H new ATOM 0 HB THR A 63 -10.460 -7.563 14.247 1.00 21.20 H new ATOM 0 HG1 THR A 63 -11.911 -5.887 13.435 1.00 74.30 H new ATOM 0 HG21 THR A 63 -12.303 -6.706 15.649 1.00 3.52 H new ATOM 0 HG22 THR A 63 -10.874 -7.139 16.616 1.00 3.52 H new ATOM 0 HG23 THR A 63 -11.229 -5.430 16.271 1.00 3.52 H new ATOM 1031 N GLU A 64 -7.903 -7.804 13.336 1.00 4.33 N ATOM 1032 CA GLU A 64 -7.251 -8.314 12.118 1.00 24.35 C ATOM 1033 C GLU A 64 -8.044 -7.932 10.857 1.00 33.53 C ATOM 1034 O GLU A 64 -7.456 -7.711 9.807 1.00 2.43 O ATOM 1035 CB GLU A 64 -7.082 -9.852 12.207 1.00 52.53 C ATOM 1036 CG GLU A 64 -8.406 -10.641 12.267 1.00 33.02 C ATOM 1037 CD GLU A 64 -8.204 -12.160 12.354 1.00 11.10 C ATOM 1038 OE1 GLU A 64 -7.926 -12.788 11.308 1.00 61.45 O ATOM 1039 OE2 GLU A 64 -8.329 -12.729 13.467 1.00 20.24 O ATOM 0 H GLU A 64 -8.184 -8.539 13.985 1.00 4.33 H new ATOM 0 HA GLU A 64 -6.266 -7.853 12.043 1.00 24.35 H new ATOM 0 HB2 GLU A 64 -6.510 -10.192 11.343 1.00 52.53 H new ATOM 0 HB3 GLU A 64 -6.493 -10.089 13.093 1.00 52.53 H new ATOM 0 HG2 GLU A 64 -8.981 -10.308 13.131 1.00 33.02 H new ATOM 0 HG3 GLU A 64 -8.999 -10.410 11.382 1.00 33.02 H new ATOM 1046 N GLU A 65 -9.386 -7.837 11.001 1.00 61.51 N ATOM 1047 CA GLU A 65 -10.295 -7.451 9.916 1.00 45.42 C ATOM 1048 C GLU A 65 -9.981 -6.034 9.426 1.00 23.32 C ATOM 1049 O GLU A 65 -9.829 -5.805 8.228 1.00 13.00 O ATOM 1050 CB GLU A 65 -11.761 -7.536 10.405 1.00 55.25 C ATOM 1051 CG GLU A 65 -12.807 -7.152 9.339 1.00 41.23 C ATOM 1052 CD GLU A 65 -14.248 -7.192 9.857 1.00 30.12 C ATOM 1053 OE1 GLU A 65 -14.874 -8.275 9.819 1.00 14.31 O ATOM 1054 OE2 GLU A 65 -14.755 -6.145 10.320 1.00 3.25 O ATOM 0 H GLU A 65 -9.864 -8.029 11.882 1.00 61.51 H new ATOM 0 HA GLU A 65 -10.156 -8.139 9.082 1.00 45.42 H new ATOM 0 HB2 GLU A 65 -11.961 -8.553 10.744 1.00 55.25 H new ATOM 0 HB3 GLU A 65 -11.882 -6.882 11.269 1.00 55.25 H new ATOM 0 HG2 GLU A 65 -12.589 -6.149 8.972 1.00 41.23 H new ATOM 0 HG3 GLU A 65 -12.715 -7.830 8.490 1.00 41.23 H new ATOM 1061 N LYS A 66 -9.837 -5.107 10.386 1.00 71.24 N ATOM 1062 CA LYS A 66 -9.605 -3.683 10.105 1.00 74.40 C ATOM 1063 C LYS A 66 -8.176 -3.443 9.611 1.00 13.11 C ATOM 1064 O LYS A 66 -7.945 -2.554 8.795 1.00 45.01 O ATOM 1065 CB LYS A 66 -9.920 -2.844 11.367 1.00 45.34 C ATOM 1066 CG LYS A 66 -11.397 -2.954 11.789 1.00 2.52 C ATOM 1067 CD LYS A 66 -11.750 -2.132 13.043 1.00 70.23 C ATOM 1068 CE LYS A 66 -13.247 -2.223 13.364 1.00 5.35 C ATOM 1069 NZ LYS A 66 -13.651 -1.368 14.508 1.00 13.05 N ATOM 0 H LYS A 66 -9.878 -5.325 11.381 1.00 71.24 H new ATOM 0 HA LYS A 66 -10.274 -3.367 9.305 1.00 74.40 H new ATOM 0 HB2 LYS A 66 -9.284 -3.175 12.188 1.00 45.34 H new ATOM 0 HB3 LYS A 66 -9.676 -1.799 11.176 1.00 45.34 H new ATOM 0 HG2 LYS A 66 -12.027 -2.626 10.962 1.00 2.52 H new ATOM 0 HG3 LYS A 66 -11.635 -4.001 11.974 1.00 2.52 H new ATOM 0 HD2 LYS A 66 -11.171 -2.494 13.893 1.00 70.23 H new ATOM 0 HD3 LYS A 66 -11.472 -1.090 12.888 1.00 70.23 H new ATOM 0 HE2 LYS A 66 -13.820 -1.934 12.483 1.00 5.35 H new ATOM 0 HE3 LYS A 66 -13.503 -3.259 13.585 1.00 5.35 H new ATOM 0 HZ1 LYS A 66 -14.672 -1.472 14.676 1.00 13.05 H new ATOM 0 HZ2 LYS A 66 -13.129 -1.658 15.359 1.00 13.05 H new ATOM 0 HZ3 LYS A 66 -13.436 -0.374 14.291 1.00 13.05 H new ATOM 1083 N ALA A 67 -7.236 -4.272 10.091 1.00 34.40 N ATOM 1084 CA ALA A 67 -5.840 -4.247 9.644 1.00 34.13 C ATOM 1085 C ALA A 67 -5.738 -4.641 8.161 1.00 52.04 C ATOM 1086 O ALA A 67 -5.181 -3.894 7.346 1.00 44.44 O ATOM 1087 CB ALA A 67 -5.003 -5.172 10.530 1.00 14.14 C ATOM 0 H ALA A 67 -7.426 -4.979 10.801 1.00 34.40 H new ATOM 0 HA ALA A 67 -5.449 -3.234 9.737 1.00 34.13 H new ATOM 0 HB1 ALA A 67 -3.965 -5.153 10.197 1.00 14.14 H new ATOM 0 HB2 ALA A 67 -5.059 -4.833 11.565 1.00 14.14 H new ATOM 0 HB3 ALA A 67 -5.388 -6.189 10.460 1.00 14.14 H new ATOM 1093 N LYS A 68 -6.343 -5.795 7.828 1.00 0.45 N ATOM 1094 CA LYS A 68 -6.385 -6.327 6.458 1.00 63.25 C ATOM 1095 C LYS A 68 -7.281 -5.473 5.538 1.00 44.12 C ATOM 1096 O LYS A 68 -7.096 -5.491 4.320 1.00 61.15 O ATOM 1097 CB LYS A 68 -6.881 -7.798 6.478 1.00 75.45 C ATOM 1098 CG LYS A 68 -5.956 -8.803 7.216 1.00 51.33 C ATOM 1099 CD LYS A 68 -4.557 -8.950 6.577 1.00 63.22 C ATOM 1100 CE LYS A 68 -4.615 -9.391 5.100 1.00 41.25 C ATOM 1101 NZ LYS A 68 -5.347 -10.678 4.898 1.00 4.00 N ATOM 0 H LYS A 68 -6.819 -6.387 8.508 1.00 0.45 H new ATOM 0 HA LYS A 68 -5.373 -6.290 6.054 1.00 63.25 H new ATOM 0 HB2 LYS A 68 -7.865 -7.825 6.946 1.00 75.45 H new ATOM 0 HB3 LYS A 68 -7.008 -8.135 5.449 1.00 75.45 H new ATOM 0 HG2 LYS A 68 -5.840 -8.483 8.251 1.00 51.33 H new ATOM 0 HG3 LYS A 68 -6.440 -9.780 7.237 1.00 51.33 H new ATOM 0 HD2 LYS A 68 -4.030 -7.999 6.646 1.00 63.22 H new ATOM 0 HD3 LYS A 68 -3.978 -9.678 7.146 1.00 63.22 H new ATOM 0 HE2 LYS A 68 -5.098 -8.610 4.513 1.00 41.25 H new ATOM 0 HE3 LYS A 68 -3.599 -9.494 4.718 1.00 41.25 H new ATOM 0 HZ1 LYS A 68 -5.322 -10.937 3.891 1.00 4.00 H new ATOM 0 HZ2 LYS A 68 -4.894 -11.427 5.460 1.00 4.00 H new ATOM 0 HZ3 LYS A 68 -6.335 -10.567 5.202 1.00 4.00 H new ATOM 1115 N SER A 69 -8.241 -4.730 6.133 1.00 51.34 N ATOM 1116 CA SER A 69 -9.152 -3.841 5.389 1.00 61.15 C ATOM 1117 C SER A 69 -8.365 -2.699 4.750 1.00 60.01 C ATOM 1118 O SER A 69 -8.514 -2.421 3.562 1.00 41.11 O ATOM 1119 CB SER A 69 -10.238 -3.269 6.323 1.00 43.12 C ATOM 1120 OG SER A 69 -11.149 -2.440 5.621 1.00 74.43 O ATOM 0 H SER A 69 -8.403 -4.732 7.140 1.00 51.34 H new ATOM 0 HA SER A 69 -9.637 -4.424 4.607 1.00 61.15 H new ATOM 0 HB2 SER A 69 -10.781 -4.088 6.795 1.00 43.12 H new ATOM 0 HB3 SER A 69 -9.766 -2.697 7.122 1.00 43.12 H new ATOM 0 HG SER A 69 -11.520 -1.771 6.233 1.00 74.43 H new ATOM 1126 N ILE A 70 -7.504 -2.074 5.565 1.00 42.10 N ATOM 1127 CA ILE A 70 -6.644 -0.960 5.147 1.00 34.11 C ATOM 1128 C ILE A 70 -5.692 -1.412 4.024 1.00 75.32 C ATOM 1129 O ILE A 70 -5.557 -0.726 3.011 1.00 1.51 O ATOM 1130 CB ILE A 70 -5.847 -0.416 6.382 1.00 13.42 C ATOM 1131 CG1 ILE A 70 -6.850 0.100 7.468 1.00 11.40 C ATOM 1132 CG2 ILE A 70 -4.845 0.686 5.970 1.00 50.40 C ATOM 1133 CD1 ILE A 70 -6.243 0.362 8.832 1.00 71.05 C ATOM 0 H ILE A 70 -7.384 -2.332 6.545 1.00 42.10 H new ATOM 0 HA ILE A 70 -7.263 -0.153 4.754 1.00 34.11 H new ATOM 0 HB ILE A 70 -5.260 -1.231 6.805 1.00 13.42 H new ATOM 0 HG12 ILE A 70 -7.308 1.021 7.108 1.00 11.40 H new ATOM 0 HG13 ILE A 70 -7.650 -0.632 7.578 1.00 11.40 H new ATOM 0 HG21 ILE A 70 -4.310 1.040 6.852 1.00 50.40 H new ATOM 0 HG22 ILE A 70 -4.132 0.280 5.252 1.00 50.40 H new ATOM 0 HG23 ILE A 70 -5.385 1.517 5.515 1.00 50.40 H new ATOM 0 HD11 ILE A 70 -7.017 0.716 9.513 1.00 71.05 H new ATOM 0 HD12 ILE A 70 -5.811 -0.560 9.221 1.00 71.05 H new ATOM 0 HD13 ILE A 70 -5.464 1.119 8.744 1.00 71.05 H new ATOM 1145 N ILE A 71 -5.091 -2.607 4.210 1.00 61.34 N ATOM 1146 CA ILE A 71 -4.202 -3.237 3.216 1.00 61.23 C ATOM 1147 C ILE A 71 -4.967 -3.500 1.897 1.00 5.51 C ATOM 1148 O ILE A 71 -4.432 -3.263 0.821 1.00 22.11 O ATOM 1149 CB ILE A 71 -3.587 -4.583 3.767 1.00 52.13 C ATOM 1150 CG1 ILE A 71 -2.861 -4.337 5.128 1.00 40.04 C ATOM 1151 CG2 ILE A 71 -2.623 -5.241 2.739 1.00 50.54 C ATOM 1152 CD1 ILE A 71 -2.351 -5.593 5.816 1.00 34.42 C ATOM 0 H ILE A 71 -5.211 -3.162 5.057 1.00 61.34 H new ATOM 0 HA ILE A 71 -3.382 -2.547 3.018 1.00 61.23 H new ATOM 0 HB ILE A 71 -4.410 -5.278 3.931 1.00 52.13 H new ATOM 0 HG12 ILE A 71 -2.019 -3.666 4.958 1.00 40.04 H new ATOM 0 HG13 ILE A 71 -3.547 -3.824 5.802 1.00 40.04 H new ATOM 0 HG21 ILE A 71 -2.221 -6.164 3.156 1.00 50.54 H new ATOM 0 HG22 ILE A 71 -3.167 -5.464 1.821 1.00 50.54 H new ATOM 0 HG23 ILE A 71 -1.804 -4.556 2.518 1.00 50.54 H new ATOM 0 HD11 ILE A 71 -1.862 -5.322 6.752 1.00 34.42 H new ATOM 0 HD12 ILE A 71 -3.188 -6.260 6.023 1.00 34.42 H new ATOM 0 HD13 ILE A 71 -1.636 -6.099 5.167 1.00 34.42 H new ATOM 1164 N LYS A 72 -6.244 -3.932 2.010 1.00 51.12 N ATOM 1165 CA LYS A 72 -7.092 -4.292 0.851 1.00 61.13 C ATOM 1166 C LYS A 72 -7.404 -3.037 0.004 1.00 62.42 C ATOM 1167 O LYS A 72 -7.250 -3.067 -1.217 1.00 35.12 O ATOM 1168 CB LYS A 72 -8.405 -4.988 1.352 1.00 63.44 C ATOM 1169 CG LYS A 72 -9.038 -6.044 0.403 1.00 63.14 C ATOM 1170 CD LYS A 72 -9.708 -5.465 -0.864 1.00 63.51 C ATOM 1171 CE LYS A 72 -10.377 -6.563 -1.717 1.00 13.23 C ATOM 1172 NZ LYS A 72 -11.127 -6.010 -2.873 1.00 64.05 N ATOM 0 H LYS A 72 -6.715 -4.041 2.908 1.00 51.12 H new ATOM 0 HA LYS A 72 -6.556 -4.995 0.213 1.00 61.13 H new ATOM 0 HB2 LYS A 72 -8.192 -5.471 2.306 1.00 63.44 H new ATOM 0 HB3 LYS A 72 -9.148 -4.215 1.545 1.00 63.44 H new ATOM 0 HG2 LYS A 72 -8.263 -6.747 0.097 1.00 63.14 H new ATOM 0 HG3 LYS A 72 -9.782 -6.613 0.961 1.00 63.14 H new ATOM 0 HD2 LYS A 72 -10.455 -4.726 -0.574 1.00 63.51 H new ATOM 0 HD3 LYS A 72 -8.961 -4.945 -1.464 1.00 63.51 H new ATOM 0 HE2 LYS A 72 -9.614 -7.252 -2.080 1.00 13.23 H new ATOM 0 HE3 LYS A 72 -11.056 -7.141 -1.091 1.00 13.23 H new ATOM 0 HZ1 LYS A 72 -12.053 -6.479 -2.942 1.00 64.05 H new ATOM 0 HZ2 LYS A 72 -11.265 -4.988 -2.740 1.00 64.05 H new ATOM 0 HZ3 LYS A 72 -10.589 -6.176 -3.747 1.00 64.05 H new ATOM 1186 N LEU A 73 -7.816 -1.942 0.683 1.00 13.21 N ATOM 1187 CA LEU A 73 -8.108 -0.640 0.035 1.00 4.23 C ATOM 1188 C LEU A 73 -6.852 -0.089 -0.683 1.00 30.35 C ATOM 1189 O LEU A 73 -6.951 0.441 -1.788 1.00 54.42 O ATOM 1190 CB LEU A 73 -8.652 0.404 1.071 1.00 50.41 C ATOM 1191 CG LEU A 73 -10.198 0.408 1.348 1.00 5.00 C ATOM 1192 CD1 LEU A 73 -10.692 -0.921 1.945 1.00 71.30 C ATOM 1193 CD2 LEU A 73 -10.586 1.601 2.249 1.00 25.21 C ATOM 0 H LEU A 73 -7.956 -1.935 1.693 1.00 13.21 H new ATOM 0 HA LEU A 73 -8.885 -0.809 -0.710 1.00 4.23 H new ATOM 0 HB2 LEU A 73 -8.140 0.236 2.019 1.00 50.41 H new ATOM 0 HB3 LEU A 73 -8.369 1.399 0.727 1.00 50.41 H new ATOM 0 HG LEU A 73 -10.697 0.522 0.386 1.00 5.00 H new ATOM 0 HD11 LEU A 73 -11.767 -0.865 2.117 1.00 71.30 H new ATOM 0 HD12 LEU A 73 -10.477 -1.734 1.251 1.00 71.30 H new ATOM 0 HD13 LEU A 73 -10.182 -1.107 2.890 1.00 71.30 H new ATOM 0 HD21 LEU A 73 -11.661 1.586 2.429 1.00 25.21 H new ATOM 0 HD22 LEU A 73 -10.058 1.526 3.199 1.00 25.21 H new ATOM 0 HD23 LEU A 73 -10.314 2.534 1.755 1.00 25.21 H new ATOM 1205 N ILE A 74 -5.680 -0.247 -0.034 1.00 44.51 N ATOM 1206 CA ILE A 74 -4.376 0.123 -0.606 1.00 51.33 C ATOM 1207 C ILE A 74 -4.098 -0.693 -1.886 1.00 42.51 C ATOM 1208 O ILE A 74 -3.816 -0.114 -2.922 1.00 12.24 O ATOM 1209 CB ILE A 74 -3.227 -0.071 0.464 1.00 51.11 C ATOM 1210 CG1 ILE A 74 -3.356 0.999 1.599 1.00 54.32 C ATOM 1211 CG2 ILE A 74 -1.814 -0.040 -0.164 1.00 31.23 C ATOM 1212 CD1 ILE A 74 -2.387 0.831 2.758 1.00 3.01 C ATOM 0 H ILE A 74 -5.615 -0.637 0.906 1.00 44.51 H new ATOM 0 HA ILE A 74 -4.399 1.177 -0.881 1.00 51.33 H new ATOM 0 HB ILE A 74 -3.353 -1.065 0.894 1.00 51.11 H new ATOM 0 HG12 ILE A 74 -3.209 1.987 1.163 1.00 54.32 H new ATOM 0 HG13 ILE A 74 -4.373 0.971 1.989 1.00 54.32 H new ATOM 0 HG21 ILE A 74 -1.066 -0.178 0.617 1.00 31.23 H new ATOM 0 HG22 ILE A 74 -1.724 -0.841 -0.898 1.00 31.23 H new ATOM 0 HG23 ILE A 74 -1.655 0.921 -0.654 1.00 31.23 H new ATOM 0 HD11 ILE A 74 -2.556 1.620 3.491 1.00 3.01 H new ATOM 0 HD12 ILE A 74 -2.546 -0.140 3.227 1.00 3.01 H new ATOM 0 HD13 ILE A 74 -1.363 0.892 2.388 1.00 3.01 H new ATOM 1224 N GLU A 75 -4.269 -2.028 -1.805 1.00 2.14 N ATOM 1225 CA GLU A 75 -3.978 -2.962 -2.913 1.00 22.10 C ATOM 1226 C GLU A 75 -4.844 -2.681 -4.152 1.00 52.42 C ATOM 1227 O GLU A 75 -4.353 -2.778 -5.277 1.00 31.14 O ATOM 1228 CB GLU A 75 -4.168 -4.427 -2.435 1.00 40.34 C ATOM 1229 CG GLU A 75 -3.074 -4.945 -1.465 1.00 71.14 C ATOM 1230 CD GLU A 75 -1.736 -5.353 -2.135 1.00 51.44 C ATOM 1231 OE1 GLU A 75 -1.371 -4.821 -3.211 1.00 42.14 O ATOM 1232 OE2 GLU A 75 -1.050 -6.241 -1.581 1.00 40.01 O ATOM 0 H GLU A 75 -4.615 -2.492 -0.965 1.00 2.14 H new ATOM 0 HA GLU A 75 -2.940 -2.810 -3.209 1.00 22.10 H new ATOM 0 HB2 GLU A 75 -5.137 -4.511 -1.944 1.00 40.34 H new ATOM 0 HB3 GLU A 75 -4.196 -5.078 -3.309 1.00 40.34 H new ATOM 0 HG2 GLU A 75 -2.870 -4.170 -0.726 1.00 71.14 H new ATOM 0 HG3 GLU A 75 -3.468 -5.805 -0.924 1.00 71.14 H new ATOM 1239 N GLU A 76 -6.123 -2.324 -3.927 1.00 63.21 N ATOM 1240 CA GLU A 76 -7.048 -1.927 -5.007 1.00 62.44 C ATOM 1241 C GLU A 76 -6.517 -0.693 -5.764 1.00 51.42 C ATOM 1242 O GLU A 76 -6.339 -0.712 -6.992 1.00 33.52 O ATOM 1243 CB GLU A 76 -8.458 -1.618 -4.427 1.00 23.32 C ATOM 1244 CG GLU A 76 -9.178 -2.808 -3.773 1.00 41.51 C ATOM 1245 CD GLU A 76 -9.351 -4.018 -4.709 1.00 44.13 C ATOM 1246 OE1 GLU A 76 -10.134 -3.929 -5.683 1.00 22.14 O ATOM 1247 OE2 GLU A 76 -8.731 -5.075 -4.461 1.00 24.35 O ATOM 0 H GLU A 76 -6.543 -2.302 -2.998 1.00 63.21 H new ATOM 0 HA GLU A 76 -7.122 -2.760 -5.707 1.00 62.44 H new ATOM 0 HB2 GLU A 76 -8.362 -0.823 -3.688 1.00 23.32 H new ATOM 0 HB3 GLU A 76 -9.086 -1.232 -5.230 1.00 23.32 H new ATOM 0 HG2 GLU A 76 -8.618 -3.119 -2.891 1.00 41.51 H new ATOM 0 HG3 GLU A 76 -10.160 -2.483 -3.429 1.00 41.51 H new ATOM 1254 N ARG A 77 -6.225 0.357 -4.985 1.00 62.12 N ATOM 1255 CA ARG A 77 -5.919 1.692 -5.501 1.00 73.41 C ATOM 1256 C ARG A 77 -4.504 1.760 -6.139 1.00 2.34 C ATOM 1257 O ARG A 77 -4.368 2.220 -7.278 1.00 64.34 O ATOM 1258 CB ARG A 77 -6.047 2.714 -4.347 1.00 72.20 C ATOM 1259 CG ARG A 77 -7.447 2.858 -3.706 1.00 4.43 C ATOM 1260 CD ARG A 77 -8.477 3.569 -4.599 1.00 64.11 C ATOM 1261 NE ARG A 77 -9.671 3.957 -3.818 1.00 52.55 N ATOM 1262 CZ ARG A 77 -10.283 5.151 -3.857 1.00 4.44 C ATOM 1263 NH1 ARG A 77 -9.843 6.126 -4.652 1.00 71.12 N ATOM 1264 NH2 ARG A 77 -11.333 5.371 -3.072 1.00 61.23 N ATOM 0 H ARG A 77 -6.195 0.299 -3.967 1.00 62.12 H new ATOM 0 HA ARG A 77 -6.630 1.931 -6.292 1.00 73.41 H new ATOM 0 HB2 ARG A 77 -5.340 2.436 -3.565 1.00 72.20 H new ATOM 0 HB3 ARG A 77 -5.741 3.691 -4.721 1.00 72.20 H new ATOM 0 HG2 ARG A 77 -7.823 1.866 -3.455 1.00 4.43 H new ATOM 0 HG3 ARG A 77 -7.351 3.409 -2.771 1.00 4.43 H new ATOM 0 HD2 ARG A 77 -8.027 4.455 -5.047 1.00 64.11 H new ATOM 0 HD3 ARG A 77 -8.770 2.912 -5.418 1.00 64.11 H new ATOM 0 HE ARG A 77 -10.065 3.254 -3.193 1.00 52.55 H new ATOM 0 HH11 ARG A 77 -9.028 5.972 -5.245 1.00 71.12 H new ATOM 0 HH12 ARG A 77 -10.322 7.027 -4.668 1.00 71.12 H new ATOM 0 HH21 ARG A 77 -11.666 4.636 -2.448 1.00 61.23 H new ATOM 0 HH22 ARG A 77 -11.805 6.275 -3.094 1.00 61.23 H new ATOM 1278 N ILE A 78 -3.456 1.292 -5.394 1.00 2.11 N ATOM 1279 CA ILE A 78 -2.041 1.354 -5.856 1.00 11.12 C ATOM 1280 C ILE A 78 -1.860 0.557 -7.153 1.00 74.04 C ATOM 1281 O ILE A 78 -1.142 1.000 -8.060 1.00 0.24 O ATOM 1282 CB ILE A 78 -0.977 0.855 -4.780 1.00 74.44 C ATOM 1283 CG1 ILE A 78 -1.124 -0.673 -4.461 1.00 71.12 C ATOM 1284 CG2 ILE A 78 -1.063 1.697 -3.486 1.00 1.03 C ATOM 1285 CD1 ILE A 78 -0.091 -1.248 -3.499 1.00 50.01 C ATOM 0 H ILE A 78 -3.570 0.869 -4.473 1.00 2.11 H new ATOM 0 HA ILE A 78 -1.843 2.412 -6.025 1.00 11.12 H new ATOM 0 HB ILE A 78 0.010 0.996 -5.221 1.00 74.44 H new ATOM 0 HG12 ILE A 78 -2.117 -0.845 -4.045 1.00 71.12 H new ATOM 0 HG13 ILE A 78 -1.070 -1.228 -5.398 1.00 71.12 H new ATOM 0 HG21 ILE A 78 -0.327 1.336 -2.768 1.00 1.03 H new ATOM 0 HG22 ILE A 78 -0.861 2.743 -3.718 1.00 1.03 H new ATOM 0 HG23 ILE A 78 -2.062 1.606 -3.059 1.00 1.03 H new ATOM 0 HD11 ILE A 78 -0.285 -2.310 -3.349 1.00 50.01 H new ATOM 0 HD12 ILE A 78 0.907 -1.117 -3.916 1.00 50.01 H new ATOM 0 HD13 ILE A 78 -0.155 -0.728 -2.543 1.00 50.01 H new ATOM 1297 N GLU A 79 -2.554 -0.611 -7.232 1.00 54.50 N ATOM 1298 CA GLU A 79 -2.545 -1.460 -8.425 1.00 64.41 C ATOM 1299 C GLU A 79 -3.130 -0.678 -9.600 1.00 23.23 C ATOM 1300 O GLU A 79 -2.427 -0.451 -10.560 1.00 63.43 O ATOM 1301 CB GLU A 79 -3.342 -2.767 -8.215 1.00 21.12 C ATOM 1302 CG GLU A 79 -3.275 -3.748 -9.414 1.00 52.43 C ATOM 1303 CD GLU A 79 -4.183 -4.979 -9.259 1.00 2.44 C ATOM 1304 OE1 GLU A 79 -4.083 -5.678 -8.231 1.00 41.11 O ATOM 1305 OE2 GLU A 79 -5.010 -5.247 -10.159 1.00 64.13 O ATOM 0 H GLU A 79 -3.126 -0.976 -6.470 1.00 54.50 H new ATOM 0 HA GLU A 79 -1.512 -1.741 -8.632 1.00 64.41 H new ATOM 0 HB2 GLU A 79 -2.965 -3.271 -7.325 1.00 21.12 H new ATOM 0 HB3 GLU A 79 -4.385 -2.517 -8.022 1.00 21.12 H new ATOM 0 HG2 GLU A 79 -3.553 -3.215 -10.323 1.00 52.43 H new ATOM 0 HG3 GLU A 79 -2.245 -4.081 -9.542 1.00 52.43 H new ATOM 1312 N GLU A 80 -4.377 -0.177 -9.432 1.00 61.34 N ATOM 1313 CA GLU A 80 -5.152 0.505 -10.498 1.00 50.12 C ATOM 1314 C GLU A 80 -4.327 1.615 -11.186 1.00 30.14 C ATOM 1315 O GLU A 80 -4.148 1.615 -12.409 1.00 74.11 O ATOM 1316 CB GLU A 80 -6.439 1.113 -9.882 1.00 64.03 C ATOM 1317 CG GLU A 80 -7.391 1.782 -10.898 1.00 75.40 C ATOM 1318 CD GLU A 80 -8.558 2.540 -10.242 1.00 15.13 C ATOM 1319 OE1 GLU A 80 -9.612 1.925 -9.965 1.00 73.24 O ATOM 1320 OE2 GLU A 80 -8.428 3.756 -9.999 1.00 61.44 O ATOM 0 H GLU A 80 -4.878 -0.235 -8.546 1.00 61.34 H new ATOM 0 HA GLU A 80 -5.409 -0.233 -11.258 1.00 50.12 H new ATOM 0 HB2 GLU A 80 -6.983 0.325 -9.361 1.00 64.03 H new ATOM 0 HB3 GLU A 80 -6.153 1.852 -9.133 1.00 64.03 H new ATOM 0 HG2 GLU A 80 -6.820 2.475 -11.516 1.00 75.40 H new ATOM 0 HG3 GLU A 80 -7.793 1.018 -11.564 1.00 75.40 H new ATOM 1327 N GLU A 81 -3.783 2.510 -10.361 1.00 53.21 N ATOM 1328 CA GLU A 81 -3.090 3.724 -10.808 1.00 4.33 C ATOM 1329 C GLU A 81 -1.737 3.399 -11.478 1.00 65.45 C ATOM 1330 O GLU A 81 -1.437 3.920 -12.560 1.00 53.14 O ATOM 1331 CB GLU A 81 -2.894 4.661 -9.595 1.00 55.03 C ATOM 1332 CG GLU A 81 -4.207 5.105 -8.910 1.00 73.35 C ATOM 1333 CD GLU A 81 -5.062 6.042 -9.780 1.00 51.33 C ATOM 1334 OE1 GLU A 81 -4.838 7.279 -9.728 1.00 25.25 O ATOM 1335 OE2 GLU A 81 -5.946 5.562 -10.522 1.00 11.20 O ATOM 0 H GLU A 81 -3.811 2.412 -9.346 1.00 53.21 H new ATOM 0 HA GLU A 81 -3.701 4.220 -11.562 1.00 4.33 H new ATOM 0 HB2 GLU A 81 -2.268 4.156 -8.859 1.00 55.03 H new ATOM 0 HB3 GLU A 81 -2.351 5.548 -9.921 1.00 55.03 H new ATOM 0 HG2 GLU A 81 -4.793 4.221 -8.656 1.00 73.35 H new ATOM 0 HG3 GLU A 81 -3.968 5.608 -7.973 1.00 73.35 H new ATOM 1342 N LEU A 82 -0.944 2.513 -10.839 1.00 45.25 N ATOM 1343 CA LEU A 82 0.410 2.139 -11.321 1.00 2.22 C ATOM 1344 C LEU A 82 0.307 1.221 -12.566 1.00 74.12 C ATOM 1345 O LEU A 82 1.184 1.232 -13.432 1.00 52.12 O ATOM 1346 CB LEU A 82 1.210 1.445 -10.165 1.00 43.12 C ATOM 1347 CG LEU A 82 2.719 1.828 -9.997 1.00 52.30 C ATOM 1348 CD1 LEU A 82 3.349 1.043 -8.831 1.00 23.31 C ATOM 1349 CD2 LEU A 82 3.534 1.635 -11.296 1.00 32.23 C ATOM 0 H LEU A 82 -1.219 2.037 -9.979 1.00 45.25 H new ATOM 0 HA LEU A 82 0.948 3.039 -11.619 1.00 2.22 H new ATOM 0 HB2 LEU A 82 0.701 1.663 -9.226 1.00 43.12 H new ATOM 0 HB3 LEU A 82 1.152 0.367 -10.316 1.00 43.12 H new ATOM 0 HG LEU A 82 2.752 2.893 -9.766 1.00 52.30 H new ATOM 0 HD11 LEU A 82 4.398 1.322 -8.729 1.00 23.31 H new ATOM 0 HD12 LEU A 82 2.820 1.277 -7.907 1.00 23.31 H new ATOM 0 HD13 LEU A 82 3.276 -0.026 -9.031 1.00 23.31 H new ATOM 0 HD21 LEU A 82 4.572 1.916 -11.119 1.00 32.23 H new ATOM 0 HD22 LEU A 82 3.488 0.590 -11.602 1.00 32.23 H new ATOM 0 HD23 LEU A 82 3.117 2.263 -12.084 1.00 32.23 H new ATOM 1361 N ARG A 83 -0.790 0.461 -12.643 1.00 14.12 N ATOM 1362 CA ARG A 83 -1.059 -0.485 -13.745 1.00 1.22 C ATOM 1363 C ARG A 83 -1.520 0.288 -14.998 1.00 31.22 C ATOM 1364 O ARG A 83 -1.437 -0.215 -16.122 1.00 74.12 O ATOM 1365 CB ARG A 83 -2.108 -1.525 -13.285 1.00 2.24 C ATOM 1366 CG ARG A 83 -2.300 -2.755 -14.191 1.00 63.42 C ATOM 1367 CD ARG A 83 -3.372 -3.715 -13.621 1.00 60.22 C ATOM 1368 NE ARG A 83 -3.543 -4.918 -14.451 1.00 51.45 N ATOM 1369 CZ ARG A 83 -4.196 -6.036 -14.079 1.00 63.35 C ATOM 1370 NH1 ARG A 83 -4.762 -6.140 -12.874 1.00 22.54 N ATOM 1371 NH2 ARG A 83 -4.263 -7.064 -14.915 1.00 52.30 N ATOM 0 H ARG A 83 -1.527 0.481 -11.938 1.00 14.12 H new ATOM 0 HA ARG A 83 -0.149 -1.023 -14.010 1.00 1.22 H new ATOM 0 HB2 ARG A 83 -1.829 -1.874 -12.291 1.00 2.24 H new ATOM 0 HB3 ARG A 83 -3.069 -1.020 -13.187 1.00 2.24 H new ATOM 0 HG2 ARG A 83 -2.594 -2.431 -15.189 1.00 63.42 H new ATOM 0 HG3 ARG A 83 -1.353 -3.285 -14.294 1.00 63.42 H new ATOM 0 HD2 ARG A 83 -3.091 -4.011 -12.610 1.00 60.22 H new ATOM 0 HD3 ARG A 83 -4.324 -3.190 -13.546 1.00 60.22 H new ATOM 0 HE ARG A 83 -3.133 -4.904 -15.385 1.00 51.45 H new ATOM 0 HH11 ARG A 83 -4.705 -5.364 -12.215 1.00 22.54 H new ATOM 0 HH12 ARG A 83 -5.252 -6.996 -12.613 1.00 22.54 H new ATOM 0 HH21 ARG A 83 -3.822 -7.005 -15.833 1.00 52.30 H new ATOM 0 HH22 ARG A 83 -4.756 -7.914 -14.640 1.00 52.30 H new ATOM 1385 N LYS A 84 -2.007 1.532 -14.781 1.00 61.11 N ATOM 1386 CA LYS A 84 -2.321 2.478 -15.870 1.00 52.10 C ATOM 1387 C LYS A 84 -1.084 3.335 -16.245 1.00 54.31 C ATOM 1388 O LYS A 84 -1.068 3.965 -17.306 1.00 51.23 O ATOM 1389 CB LYS A 84 -3.533 3.364 -15.487 1.00 73.50 C ATOM 1390 CG LYS A 84 -4.873 2.594 -15.398 1.00 21.34 C ATOM 1391 CD LYS A 84 -6.107 3.488 -15.095 1.00 65.25 C ATOM 1392 CE LYS A 84 -6.165 4.038 -13.650 1.00 63.53 C ATOM 1393 NZ LYS A 84 -5.145 5.084 -13.365 1.00 74.13 N ATOM 0 H LYS A 84 -2.192 1.904 -13.849 1.00 61.11 H new ATOM 0 HA LYS A 84 -2.593 1.902 -16.755 1.00 52.10 H new ATOM 0 HB2 LYS A 84 -3.334 3.838 -14.526 1.00 73.50 H new ATOM 0 HB3 LYS A 84 -3.633 4.163 -16.222 1.00 73.50 H new ATOM 0 HG2 LYS A 84 -5.041 2.071 -16.339 1.00 21.34 H new ATOM 0 HG3 LYS A 84 -4.791 1.834 -14.621 1.00 21.34 H new ATOM 0 HD2 LYS A 84 -6.110 4.328 -15.790 1.00 65.25 H new ATOM 0 HD3 LYS A 84 -7.012 2.912 -15.287 1.00 65.25 H new ATOM 0 HE2 LYS A 84 -7.157 4.452 -13.468 1.00 63.53 H new ATOM 0 HE3 LYS A 84 -6.031 3.212 -12.951 1.00 63.53 H new ATOM 0 HZ1 LYS A 84 -5.376 5.559 -12.469 1.00 74.13 H new ATOM 0 HZ2 LYS A 84 -4.206 4.642 -13.290 1.00 74.13 H new ATOM 0 HZ3 LYS A 84 -5.139 5.782 -14.136 1.00 74.13 H new ATOM 1407 N ARG A 85 -0.054 3.372 -15.362 1.00 23.15 N ATOM 1408 CA ARG A 85 1.292 3.909 -15.718 1.00 41.44 C ATOM 1409 C ARG A 85 2.073 2.840 -16.514 1.00 3.21 C ATOM 1410 O ARG A 85 2.816 3.163 -17.447 1.00 41.24 O ATOM 1411 CB ARG A 85 2.080 4.322 -14.418 1.00 31.23 C ATOM 1412 CG ARG A 85 3.633 4.517 -14.556 1.00 60.22 C ATOM 1413 CD ARG A 85 4.062 5.608 -15.569 1.00 33.42 C ATOM 1414 NE ARG A 85 5.500 5.495 -15.910 1.00 42.24 N ATOM 1415 CZ ARG A 85 5.991 4.991 -17.061 1.00 60.14 C ATOM 1416 NH1 ARG A 85 5.184 4.547 -18.021 1.00 50.41 N ATOM 1417 NH2 ARG A 85 7.299 4.927 -17.240 1.00 15.43 N ATOM 0 H ARG A 85 -0.126 3.038 -14.401 1.00 23.15 H new ATOM 0 HA ARG A 85 1.175 4.799 -16.336 1.00 41.44 H new ATOM 0 HB2 ARG A 85 1.654 5.253 -14.045 1.00 31.23 H new ATOM 0 HB3 ARG A 85 1.900 3.562 -13.657 1.00 31.23 H new ATOM 0 HG2 ARG A 85 4.042 4.768 -13.577 1.00 60.22 H new ATOM 0 HG3 ARG A 85 4.079 3.568 -14.854 1.00 60.22 H new ATOM 0 HD2 ARG A 85 3.464 5.520 -16.476 1.00 33.42 H new ATOM 0 HD3 ARG A 85 3.862 6.594 -15.150 1.00 33.42 H new ATOM 0 HE ARG A 85 6.173 5.825 -15.218 1.00 42.24 H new ATOM 0 HH11 ARG A 85 4.173 4.584 -17.895 1.00 50.41 H new ATOM 0 HH12 ARG A 85 5.577 4.170 -18.883 1.00 50.41 H new ATOM 0 HH21 ARG A 85 7.930 5.258 -16.510 1.00 15.43 H new ATOM 0 HH22 ARG A 85 7.677 4.547 -18.108 1.00 15.43 H new ATOM 1431 N ASP A 86 1.826 1.565 -16.180 1.00 43.25 N ATOM 1432 CA ASP A 86 2.586 0.423 -16.718 1.00 34.34 C ATOM 1433 C ASP A 86 1.729 -0.857 -16.631 1.00 60.23 C ATOM 1434 O ASP A 86 1.409 -1.295 -15.529 1.00 54.42 O ATOM 1435 CB ASP A 86 3.910 0.260 -15.916 1.00 61.34 C ATOM 1436 CG ASP A 86 4.696 -1.031 -16.227 1.00 32.21 C ATOM 1437 OD1 ASP A 86 4.874 -1.375 -17.417 1.00 75.10 O ATOM 1438 OD2 ASP A 86 5.140 -1.706 -15.280 1.00 61.24 O ATOM 0 H ASP A 86 1.091 1.294 -15.527 1.00 43.25 H new ATOM 0 HA ASP A 86 2.833 0.601 -17.765 1.00 34.34 H new ATOM 0 HB2 ASP A 86 4.551 1.118 -16.120 1.00 61.34 H new ATOM 0 HB3 ASP A 86 3.679 0.281 -14.851 1.00 61.34 H new ATOM 1443 N PRO A 87 1.355 -1.494 -17.793 1.00 21.54 N ATOM 1444 CA PRO A 87 0.532 -2.735 -17.801 1.00 4.01 C ATOM 1445 C PRO A 87 1.255 -3.959 -17.196 1.00 43.24 C ATOM 1446 O PRO A 87 0.635 -5.002 -16.955 1.00 64.14 O ATOM 1447 CB PRO A 87 0.213 -2.960 -19.309 1.00 11.33 C ATOM 1448 CG PRO A 87 0.557 -1.662 -19.987 1.00 54.02 C ATOM 1449 CD PRO A 87 1.685 -1.059 -19.176 1.00 62.44 C ATOM 0 HA PRO A 87 -0.356 -2.623 -17.179 1.00 4.01 H new ATOM 0 HB2 PRO A 87 0.799 -3.784 -19.716 1.00 11.33 H new ATOM 0 HB3 PRO A 87 -0.837 -3.214 -19.455 1.00 11.33 H new ATOM 0 HG2 PRO A 87 0.864 -1.829 -21.019 1.00 54.02 H new ATOM 0 HG3 PRO A 87 -0.305 -0.995 -20.015 1.00 54.02 H new ATOM 0 HD2 PRO A 87 2.659 -1.430 -19.497 1.00 62.44 H new ATOM 0 HD3 PRO A 87 1.713 0.027 -19.264 1.00 62.44 H new ATOM 1457 N ASN A 88 2.574 -3.828 -16.967 1.00 61.23 N ATOM 1458 CA ASN A 88 3.409 -4.908 -16.414 1.00 33.53 C ATOM 1459 C ASN A 88 3.660 -4.701 -14.907 1.00 41.33 C ATOM 1460 O ASN A 88 4.410 -5.471 -14.287 1.00 2.22 O ATOM 1461 CB ASN A 88 4.754 -4.979 -17.196 1.00 11.52 C ATOM 1462 CG ASN A 88 4.599 -5.125 -18.721 1.00 20.00 C ATOM 1463 OD1 ASN A 88 5.442 -4.649 -19.485 1.00 14.14 O ATOM 1464 ND2 ASN A 88 3.539 -5.792 -19.184 1.00 72.24 N ATOM 0 H ASN A 88 3.091 -2.970 -17.160 1.00 61.23 H new ATOM 0 HA ASN A 88 2.880 -5.854 -16.529 1.00 33.53 H new ATOM 0 HB2 ASN A 88 5.329 -4.077 -16.987 1.00 11.52 H new ATOM 0 HB3 ASN A 88 5.334 -5.822 -16.820 1.00 11.52 H new ATOM 0 HD21 ASN A 88 3.414 -5.917 -20.189 1.00 72.24 H new ATOM 0 HD22 ASN A 88 2.855 -6.177 -18.533 1.00 72.24 H new ATOM 1471 N ALA A 89 3.019 -3.660 -14.321 1.00 53.33 N ATOM 1472 CA ALA A 89 3.146 -3.341 -12.888 1.00 22.11 C ATOM 1473 C ALA A 89 2.442 -4.414 -12.037 1.00 21.41 C ATOM 1474 O ALA A 89 1.203 -4.497 -12.017 1.00 20.10 O ATOM 1475 CB ALA A 89 2.593 -1.933 -12.594 1.00 44.41 C ATOM 0 H ALA A 89 2.404 -3.025 -14.830 1.00 53.33 H new ATOM 0 HA ALA A 89 4.202 -3.341 -12.620 1.00 22.11 H new ATOM 0 HB1 ALA A 89 2.696 -1.716 -11.531 1.00 44.41 H new ATOM 0 HB2 ALA A 89 3.151 -1.195 -13.170 1.00 44.41 H new ATOM 0 HB3 ALA A 89 1.540 -1.890 -12.873 1.00 44.41 H new ATOM 1481 N THR A 90 3.244 -5.243 -11.349 1.00 53.45 N ATOM 1482 CA THR A 90 2.755 -6.384 -10.568 1.00 44.31 C ATOM 1483 C THR A 90 3.184 -6.240 -9.096 1.00 31.12 C ATOM 1484 O THR A 90 4.310 -5.838 -8.804 1.00 11.14 O ATOM 1485 CB THR A 90 3.284 -7.730 -11.166 1.00 60.41 C ATOM 1486 OG1 THR A 90 2.977 -7.779 -12.572 1.00 14.01 O ATOM 1487 CG2 THR A 90 2.669 -8.958 -10.470 1.00 3.34 C ATOM 0 H THR A 90 4.258 -5.137 -11.321 1.00 53.45 H new ATOM 0 HA THR A 90 1.666 -6.397 -10.615 1.00 44.31 H new ATOM 0 HB THR A 90 4.362 -7.762 -11.005 1.00 60.41 H new ATOM 0 HG1 THR A 90 3.492 -7.091 -13.043 1.00 14.01 H new ATOM 0 HG21 THR A 90 3.067 -9.868 -10.919 1.00 3.34 H new ATOM 0 HG22 THR A 90 2.919 -8.938 -9.409 1.00 3.34 H new ATOM 0 HG23 THR A 90 1.586 -8.938 -10.588 1.00 3.34 H new ATOM 1495 N ILE A 91 2.263 -6.578 -8.189 1.00 62.30 N ATOM 1496 CA ILE A 91 2.454 -6.470 -6.734 1.00 34.10 C ATOM 1497 C ILE A 91 2.543 -7.886 -6.129 1.00 4.12 C ATOM 1498 O ILE A 91 1.803 -8.786 -6.542 1.00 63.51 O ATOM 1499 CB ILE A 91 1.297 -5.633 -6.035 1.00 34.20 C ATOM 1500 CG1 ILE A 91 -0.134 -6.257 -6.224 1.00 32.04 C ATOM 1501 CG2 ILE A 91 1.304 -4.161 -6.522 1.00 15.24 C ATOM 1502 CD1 ILE A 91 -0.784 -6.085 -7.595 1.00 44.21 C ATOM 0 H ILE A 91 1.346 -6.941 -8.447 1.00 62.30 H new ATOM 0 HA ILE A 91 3.383 -5.930 -6.552 1.00 34.10 H new ATOM 0 HB ILE A 91 1.514 -5.665 -4.967 1.00 34.20 H new ATOM 0 HG12 ILE A 91 -0.071 -7.324 -6.009 1.00 32.04 H new ATOM 0 HG13 ILE A 91 -0.797 -5.820 -5.477 1.00 32.04 H new ATOM 0 HG21 ILE A 91 0.503 -3.611 -6.029 1.00 15.24 H new ATOM 0 HG22 ILE A 91 2.262 -3.702 -6.279 1.00 15.24 H new ATOM 0 HG23 ILE A 91 1.152 -4.134 -7.601 1.00 15.24 H new ATOM 0 HD11 ILE A 91 -1.765 -6.559 -7.594 1.00 44.21 H new ATOM 0 HD12 ILE A 91 -0.894 -5.023 -7.815 1.00 44.21 H new ATOM 0 HD13 ILE A 91 -0.157 -6.550 -8.356 1.00 44.21 H new ATOM 1514 N THR A 92 3.482 -8.093 -5.189 1.00 4.22 N ATOM 1515 CA THR A 92 3.677 -9.391 -4.514 1.00 25.43 C ATOM 1516 C THR A 92 3.480 -9.230 -2.995 1.00 75.34 C ATOM 1517 O THR A 92 4.342 -8.691 -2.307 1.00 52.50 O ATOM 1518 CB THR A 92 5.110 -9.951 -4.826 1.00 11.45 C ATOM 1519 OG1 THR A 92 5.304 -10.021 -6.251 1.00 74.54 O ATOM 1520 CG2 THR A 92 5.350 -11.345 -4.221 1.00 22.11 C ATOM 0 H THR A 92 4.127 -7.367 -4.875 1.00 4.22 H new ATOM 0 HA THR A 92 2.939 -10.100 -4.887 1.00 25.43 H new ATOM 0 HB THR A 92 5.824 -9.265 -4.370 1.00 11.45 H new ATOM 0 HG1 THR A 92 6.200 -10.369 -6.442 1.00 74.54 H new ATOM 0 HG21 THR A 92 6.357 -11.681 -4.469 1.00 22.11 H new ATOM 0 HG22 THR A 92 5.241 -11.295 -3.138 1.00 22.11 H new ATOM 0 HG23 THR A 92 4.623 -12.048 -4.627 1.00 22.11 H new ATOM 1528 N ARG A 93 2.341 -9.716 -2.480 1.00 12.23 N ATOM 1529 CA ARG A 93 1.974 -9.577 -1.060 1.00 14.42 C ATOM 1530 C ARG A 93 2.482 -10.812 -0.271 1.00 71.23 C ATOM 1531 O ARG A 93 1.945 -11.917 -0.405 1.00 52.31 O ATOM 1532 CB ARG A 93 0.433 -9.396 -0.948 1.00 51.42 C ATOM 1533 CG ARG A 93 -0.095 -9.147 0.484 1.00 13.55 C ATOM 1534 CD ARG A 93 -1.601 -8.813 0.531 1.00 51.44 C ATOM 1535 NE ARG A 93 -2.445 -9.853 -0.099 1.00 2.11 N ATOM 1536 CZ ARG A 93 -3.262 -9.651 -1.150 1.00 23.01 C ATOM 1537 NH1 ARG A 93 -3.357 -8.442 -1.724 1.00 40.31 N ATOM 1538 NH2 ARG A 93 -3.980 -10.664 -1.633 1.00 73.55 N ATOM 0 H ARG A 93 1.647 -10.217 -3.035 1.00 12.23 H new ATOM 0 HA ARG A 93 2.445 -8.696 -0.624 1.00 14.42 H new ATOM 0 HB2 ARG A 93 0.134 -8.559 -1.580 1.00 51.42 H new ATOM 0 HB3 ARG A 93 -0.052 -10.286 -1.348 1.00 51.42 H new ATOM 0 HG2 ARG A 93 0.093 -10.032 1.092 1.00 13.55 H new ATOM 0 HG3 ARG A 93 0.466 -8.327 0.933 1.00 13.55 H new ATOM 0 HD2 ARG A 93 -1.907 -8.685 1.569 1.00 51.44 H new ATOM 0 HD3 ARG A 93 -1.772 -7.861 0.029 1.00 51.44 H new ATOM 0 HE ARG A 93 -2.405 -10.794 0.293 1.00 2.11 H new ATOM 0 HH11 ARG A 93 -2.806 -7.662 -1.365 1.00 40.31 H new ATOM 0 HH12 ARG A 93 -3.980 -8.303 -2.520 1.00 40.31 H new ATOM 0 HH21 ARG A 93 -3.909 -11.588 -1.207 1.00 73.55 H new ATOM 0 HH22 ARG A 93 -4.600 -10.516 -2.429 1.00 73.55 H new ATOM 1552 N THR A 94 3.551 -10.606 0.507 1.00 14.05 N ATOM 1553 CA THR A 94 4.242 -11.652 1.281 1.00 2.54 C ATOM 1554 C THR A 94 4.245 -11.252 2.771 1.00 12.33 C ATOM 1555 O THR A 94 4.920 -10.288 3.156 1.00 20.23 O ATOM 1556 CB THR A 94 5.705 -11.822 0.743 1.00 12.24 C ATOM 1557 OG1 THR A 94 5.673 -12.166 -0.659 1.00 65.20 O ATOM 1558 CG2 THR A 94 6.509 -12.885 1.512 1.00 71.24 C ATOM 0 H THR A 94 3.973 -9.684 0.621 1.00 14.05 H new ATOM 0 HA THR A 94 3.726 -12.606 1.173 1.00 2.54 H new ATOM 0 HB THR A 94 6.209 -10.867 0.892 1.00 12.24 H new ATOM 0 HG1 THR A 94 6.589 -12.270 -0.991 1.00 65.20 H new ATOM 0 HG21 THR A 94 7.513 -12.956 1.093 1.00 71.24 H new ATOM 0 HG22 THR A 94 6.574 -12.603 2.563 1.00 71.24 H new ATOM 0 HG23 THR A 94 6.011 -13.851 1.426 1.00 71.24 H new ATOM 1566 N VAL A 95 3.464 -11.977 3.598 1.00 64.54 N ATOM 1567 CA VAL A 95 3.221 -11.598 5.002 1.00 70.10 C ATOM 1568 C VAL A 95 4.469 -11.886 5.872 1.00 32.50 C ATOM 1569 O VAL A 95 5.099 -12.944 5.754 1.00 62.42 O ATOM 1570 CB VAL A 95 1.918 -12.291 5.568 1.00 62.10 C ATOM 1571 CG1 VAL A 95 2.031 -13.830 5.599 1.00 52.31 C ATOM 1572 CG2 VAL A 95 1.525 -11.718 6.954 1.00 3.25 C ATOM 0 H VAL A 95 2.989 -12.833 3.313 1.00 64.54 H new ATOM 0 HA VAL A 95 3.042 -10.523 5.041 1.00 70.10 H new ATOM 0 HB VAL A 95 1.113 -12.055 4.873 1.00 62.10 H new ATOM 0 HG11 VAL A 95 1.109 -14.255 5.996 1.00 52.31 H new ATOM 0 HG12 VAL A 95 2.196 -14.203 4.588 1.00 52.31 H new ATOM 0 HG13 VAL A 95 2.868 -14.121 6.234 1.00 52.31 H new ATOM 0 HG21 VAL A 95 0.625 -12.218 7.312 1.00 3.25 H new ATOM 0 HG22 VAL A 95 2.338 -11.885 7.660 1.00 3.25 H new ATOM 0 HG23 VAL A 95 1.335 -10.648 6.865 1.00 3.25 H new ATOM 1582 N ARG A 96 4.830 -10.912 6.721 1.00 45.42 N ATOM 1583 CA ARG A 96 6.099 -10.912 7.483 1.00 31.11 C ATOM 1584 C ARG A 96 5.832 -10.450 8.946 1.00 22.44 C ATOM 1585 O ARG A 96 6.729 -9.953 9.644 1.00 24.52 O ATOM 1586 CB ARG A 96 7.105 -9.974 6.733 1.00 3.03 C ATOM 1587 CG ARG A 96 8.585 -10.057 7.190 1.00 70.42 C ATOM 1588 CD ARG A 96 9.261 -11.414 6.891 1.00 3.00 C ATOM 1589 NE ARG A 96 10.708 -11.386 7.217 1.00 32.42 N ATOM 1590 CZ ARG A 96 11.713 -11.684 6.361 1.00 55.34 C ATOM 1591 NH1 ARG A 96 11.461 -12.051 5.101 1.00 60.42 N ATOM 1592 NH2 ARG A 96 12.974 -11.591 6.771 1.00 10.22 N ATOM 0 H ARG A 96 4.249 -10.094 6.903 1.00 45.42 H new ATOM 0 HA ARG A 96 6.530 -11.911 7.543 1.00 31.11 H new ATOM 0 HB2 ARG A 96 7.061 -10.205 5.669 1.00 3.03 H new ATOM 0 HB3 ARG A 96 6.767 -8.944 6.850 1.00 3.03 H new ATOM 0 HG2 ARG A 96 9.151 -9.265 6.699 1.00 70.42 H new ATOM 0 HG3 ARG A 96 8.635 -9.867 8.262 1.00 70.42 H new ATOM 0 HD2 ARG A 96 8.773 -12.200 7.468 1.00 3.00 H new ATOM 0 HD3 ARG A 96 9.129 -11.663 5.838 1.00 3.00 H new ATOM 0 HE ARG A 96 10.967 -11.120 8.167 1.00 32.42 H new ATOM 0 HH11 ARG A 96 10.498 -12.110 4.770 1.00 60.42 H new ATOM 0 HH12 ARG A 96 12.232 -12.272 4.470 1.00 60.42 H new ATOM 0 HH21 ARG A 96 13.179 -11.297 7.726 1.00 10.22 H new ATOM 0 HH22 ARG A 96 13.736 -11.814 6.131 1.00 10.22 H new ATOM 1606 N THR A 97 4.583 -10.667 9.416 1.00 54.21 N ATOM 1607 CA THR A 97 4.114 -10.201 10.738 1.00 72.11 C ATOM 1608 C THR A 97 4.544 -11.141 11.885 1.00 72.15 C ATOM 1609 O THR A 97 4.337 -10.809 13.063 1.00 12.01 O ATOM 1610 CB THR A 97 2.549 -10.036 10.748 1.00 72.03 C ATOM 1611 OG1 THR A 97 2.120 -9.305 11.914 1.00 31.31 O ATOM 1612 CG2 THR A 97 1.802 -11.384 10.692 1.00 40.20 C ATOM 0 H THR A 97 3.871 -11.171 8.887 1.00 54.21 H new ATOM 0 HA THR A 97 4.585 -9.233 10.910 1.00 72.11 H new ATOM 0 HB THR A 97 2.299 -9.480 9.845 1.00 72.03 H new ATOM 0 HG1 THR A 97 2.623 -9.613 12.697 1.00 31.31 H new ATOM 0 HG21 THR A 97 0.727 -11.205 10.702 1.00 40.20 H new ATOM 0 HG22 THR A 97 2.074 -11.913 9.778 1.00 40.20 H new ATOM 0 HG23 THR A 97 2.077 -11.988 11.556 1.00 40.20 H new