USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 592 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 55 GLN : amide:sc= 0.928 K(o=2.1,f=-8.6!) USER MOD Set 1.2: A 69 LYS NZ :NH3+ 153:sc= 1.17 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -75:sc= 1.13 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 55:sc= 0.766 USER MOD Single : A 24 ASN : amide:sc= -1.02 K(o=-1,f=-3.8) USER MOD Single : A 26 ASN : amide:sc= -0.0866 K(o=-0.087,f=-2.9!) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.0718 F(o=-0.64,f=-0.072) USER MOD Single : A 38 MET CE :methyl -176:sc= -1.87 (180deg=-1.93) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 47 ASN : amide:sc= 0.276 X(o=0.28,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= -0.107 (180deg=-0.635) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N VAL A 3 -6.206 11.066 0.183 1.00 34.13 N ATOM 33 CA VAL A 3 -5.300 10.683 -0.907 1.00 4.33 C ATOM 34 C VAL A 3 -5.943 10.845 -2.299 1.00 43.42 C ATOM 35 O VAL A 3 -7.099 10.478 -2.511 1.00 10.50 O ATOM 36 CB VAL A 3 -4.824 9.216 -0.737 1.00 32.21 C ATOM 37 CG1 VAL A 3 -3.852 8.820 -1.847 1.00 33.33 C ATOM 38 CG2 VAL A 3 -4.191 9.013 0.640 1.00 41.10 C ATOM 0 HA VAL A 3 -4.449 11.361 -0.848 1.00 4.33 H new ATOM 0 HB VAL A 3 -5.696 8.567 -0.813 1.00 32.21 H new ATOM 0 HG11 VAL A 3 -3.535 7.787 -1.702 1.00 33.33 H new ATOM 0 HG12 VAL A 3 -4.346 8.916 -2.814 1.00 33.33 H new ATOM 0 HG13 VAL A 3 -2.981 9.474 -1.818 1.00 33.33 H new ATOM 0 HG21 VAL A 3 -3.863 7.978 0.741 1.00 41.10 H new ATOM 0 HG22 VAL A 3 -3.334 9.677 0.748 1.00 41.10 H new ATOM 0 HG23 VAL A 3 -4.924 9.238 1.414 1.00 41.10 H new ATOM 48 N GLU A 4 -5.177 11.404 -3.238 1.00 54.45 N ATOM 49 CA GLU A 4 -5.591 11.509 -4.646 1.00 15.03 C ATOM 50 C GLU A 4 -4.916 10.399 -5.478 1.00 14.45 C ATOM 51 O GLU A 4 -3.801 9.974 -5.159 1.00 20.43 O ATOM 52 CB GLU A 4 -5.199 12.885 -5.216 1.00 70.31 C ATOM 53 CG GLU A 4 -5.743 14.074 -4.430 1.00 52.23 C ATOM 54 CD GLU A 4 -5.154 15.400 -4.897 1.00 62.32 C ATOM 55 OE1 GLU A 4 -5.675 15.986 -5.872 1.00 35.20 O ATOM 56 OE2 GLU A 4 -4.158 15.859 -4.299 1.00 71.33 O ATOM 0 H GLU A 4 -4.255 11.797 -3.049 1.00 54.45 H new ATOM 0 HA GLU A 4 -6.674 11.395 -4.699 1.00 15.03 H new ATOM 0 HB2 GLU A 4 -4.112 12.954 -5.249 1.00 70.31 H new ATOM 0 HB3 GLU A 4 -5.554 12.953 -6.244 1.00 70.31 H new ATOM 0 HG2 GLU A 4 -6.828 14.106 -4.531 1.00 52.23 H new ATOM 0 HG3 GLU A 4 -5.525 13.936 -3.371 1.00 52.23 H new ATOM 63 N PRO A 5 -5.564 9.918 -6.556 1.00 3.42 N ATOM 64 CA PRO A 5 -4.986 8.872 -7.420 1.00 33.44 C ATOM 65 C PRO A 5 -3.694 9.331 -8.126 1.00 65.15 C ATOM 66 O PRO A 5 -3.736 9.952 -9.192 1.00 21.31 O ATOM 67 CB PRO A 5 -6.104 8.587 -8.437 1.00 52.31 C ATOM 68 CG PRO A 5 -6.951 9.816 -8.428 1.00 21.33 C ATOM 69 CD PRO A 5 -6.898 10.341 -7.019 1.00 4.24 C ATOM 0 HA PRO A 5 -4.685 7.993 -6.850 1.00 33.44 H new ATOM 0 HB2 PRO A 5 -5.696 8.395 -9.429 1.00 52.31 H new ATOM 0 HB3 PRO A 5 -6.681 7.707 -8.154 1.00 52.31 H new ATOM 0 HG2 PRO A 5 -6.575 10.555 -9.135 1.00 21.33 H new ATOM 0 HG3 PRO A 5 -7.975 9.587 -8.722 1.00 21.33 H new ATOM 0 HD2 PRO A 5 -7.011 11.425 -6.988 1.00 4.24 H new ATOM 0 HD3 PRO A 5 -7.691 9.920 -6.402 1.00 4.24 H new ATOM 77 N GLY A 6 -2.551 9.032 -7.514 1.00 14.31 N ATOM 78 CA GLY A 6 -1.259 9.428 -8.072 1.00 22.53 C ATOM 79 C GLY A 6 -0.366 10.163 -7.075 1.00 30.23 C ATOM 80 O GLY A 6 0.678 10.702 -7.449 1.00 25.23 O ATOM 0 H GLY A 6 -2.492 8.519 -6.635 1.00 14.31 H new ATOM 0 HA2 GLY A 6 -0.738 8.539 -8.428 1.00 22.53 H new ATOM 0 HA3 GLY A 6 -1.427 10.068 -8.938 1.00 22.53 H new ATOM 84 N LYS A 7 -0.767 10.190 -5.801 1.00 22.24 N ATOM 85 CA LYS A 7 0.001 10.891 -4.761 1.00 72.21 C ATOM 86 C LYS A 7 1.098 10.007 -4.144 1.00 75.13 C ATOM 87 O LYS A 7 0.906 8.808 -3.927 1.00 62.34 O ATOM 88 CB LYS A 7 -0.930 11.397 -3.648 1.00 53.32 C ATOM 89 CG LYS A 7 -1.950 12.455 -4.076 1.00 23.35 C ATOM 90 CD LYS A 7 -1.303 13.767 -4.538 1.00 30.15 C ATOM 91 CE LYS A 7 -0.957 13.747 -6.021 1.00 3.02 C ATOM 92 NZ LYS A 7 -0.293 15.000 -6.455 1.00 14.21 N ATOM 0 H LYS A 7 -1.616 9.737 -5.463 1.00 22.24 H new ATOM 0 HA LYS A 7 0.486 11.736 -5.250 1.00 72.21 H new ATOM 0 HB2 LYS A 7 -1.468 10.545 -3.232 1.00 53.32 H new ATOM 0 HB3 LYS A 7 -0.318 11.810 -2.846 1.00 53.32 H new ATOM 0 HG2 LYS A 7 -2.561 12.055 -4.885 1.00 23.35 H new ATOM 0 HG3 LYS A 7 -2.621 12.662 -3.242 1.00 23.35 H new ATOM 0 HD2 LYS A 7 -1.982 14.596 -4.336 1.00 30.15 H new ATOM 0 HD3 LYS A 7 -0.398 13.948 -3.958 1.00 30.15 H new ATOM 0 HE2 LYS A 7 -0.303 12.900 -6.229 1.00 3.02 H new ATOM 0 HE3 LYS A 7 -1.866 13.599 -6.603 1.00 3.02 H new ATOM 0 HZ1 LYS A 7 -0.075 14.944 -7.470 1.00 14.21 H new ATOM 0 HZ2 LYS A 7 -0.926 15.807 -6.281 1.00 14.21 H new ATOM 0 HZ3 LYS A 7 0.588 15.130 -5.919 1.00 14.21 H new ATOM 106 N PHE A 8 2.241 10.626 -3.861 1.00 21.12 N ATOM 107 CA PHE A 8 3.371 9.959 -3.203 1.00 13.02 C ATOM 108 C PHE A 8 3.232 10.020 -1.672 1.00 61.24 C ATOM 109 O PHE A 8 3.103 11.101 -1.101 1.00 2.12 O ATOM 110 CB PHE A 8 4.691 10.636 -3.616 1.00 53.23 C ATOM 111 CG PHE A 8 5.091 10.413 -5.056 1.00 65.32 C ATOM 112 CD1 PHE A 8 4.179 10.582 -6.088 1.00 20.13 C ATOM 113 CD2 PHE A 8 6.388 10.039 -5.373 1.00 25.01 C ATOM 114 CE1 PHE A 8 4.553 10.381 -7.401 1.00 71.54 C ATOM 115 CE2 PHE A 8 6.766 9.836 -6.685 1.00 75.22 C ATOM 116 CZ PHE A 8 5.847 10.005 -7.700 1.00 12.02 C ATOM 0 H PHE A 8 2.414 11.607 -4.080 1.00 21.12 H new ATOM 0 HA PHE A 8 3.374 8.915 -3.515 1.00 13.02 H new ATOM 0 HB2 PHE A 8 4.605 11.708 -3.439 1.00 53.23 H new ATOM 0 HB3 PHE A 8 5.489 10.269 -2.970 1.00 53.23 H new ATOM 0 HD1 PHE A 8 3.164 10.874 -5.861 1.00 20.13 H new ATOM 0 HD2 PHE A 8 7.112 9.905 -4.583 1.00 25.01 H new ATOM 0 HE1 PHE A 8 3.833 10.518 -8.195 1.00 71.54 H new ATOM 0 HE2 PHE A 8 7.780 9.545 -6.917 1.00 75.22 H new ATOM 0 HZ PHE A 8 6.140 9.843 -8.727 1.00 12.02 H new ATOM 126 N TYR A 9 3.260 8.864 -1.007 1.00 34.15 N ATOM 127 CA TYR A 9 3.179 8.815 0.460 1.00 33.11 C ATOM 128 C TYR A 9 4.050 7.698 1.054 1.00 72.24 C ATOM 129 O TYR A 9 4.497 6.788 0.354 1.00 4.24 O ATOM 130 CB TYR A 9 1.724 8.624 0.929 1.00 2.40 C ATOM 131 CG TYR A 9 0.829 9.833 0.723 1.00 43.44 C ATOM 132 CD1 TYR A 9 1.071 11.024 1.403 1.00 2.15 C ATOM 133 CD2 TYR A 9 -0.259 9.784 -0.140 1.00 11.31 C ATOM 134 CE1 TYR A 9 0.255 12.125 1.229 1.00 70.32 C ATOM 135 CE2 TYR A 9 -1.079 10.882 -0.317 1.00 13.03 C ATOM 136 CZ TYR A 9 -0.819 12.048 0.368 1.00 53.25 C ATOM 137 OH TYR A 9 -1.641 13.141 0.194 1.00 13.22 O ATOM 0 H TYR A 9 3.338 7.951 -1.455 1.00 34.15 H new ATOM 0 HA TYR A 9 3.556 9.772 0.819 1.00 33.11 H new ATOM 0 HB2 TYR A 9 1.293 7.775 0.398 1.00 2.40 H new ATOM 0 HB3 TYR A 9 1.728 8.368 1.989 1.00 2.40 H new ATOM 0 HD1 TYR A 9 1.911 11.088 2.078 1.00 2.15 H new ATOM 0 HD2 TYR A 9 -0.467 8.873 -0.681 1.00 11.31 H new ATOM 0 HE1 TYR A 9 0.457 13.041 1.764 1.00 70.32 H new ATOM 0 HE2 TYR A 9 -1.921 10.826 -0.991 1.00 13.03 H new ATOM 0 HH TYR A 9 -2.349 12.919 -0.447 1.00 13.22 H new ATOM 147 N LYS A 10 4.288 7.793 2.359 1.00 32.35 N ATOM 148 CA LYS A 10 4.967 6.739 3.117 1.00 75.41 C ATOM 149 C LYS A 10 4.012 6.155 4.165 1.00 63.13 C ATOM 150 O LYS A 10 3.425 6.894 4.955 1.00 43.30 O ATOM 151 CB LYS A 10 6.223 7.294 3.806 1.00 42.15 C ATOM 152 CG LYS A 10 6.979 6.263 4.647 1.00 54.33 C ATOM 153 CD LYS A 10 8.182 6.880 5.358 1.00 74.32 C ATOM 154 CE LYS A 10 9.199 7.442 4.368 1.00 41.41 C ATOM 155 NZ LYS A 10 10.355 8.080 5.050 1.00 74.45 N ATOM 0 H LYS A 10 4.018 8.599 2.922 1.00 32.35 H new ATOM 0 HA LYS A 10 5.269 5.952 2.426 1.00 75.41 H new ATOM 0 HB2 LYS A 10 6.896 7.692 3.046 1.00 42.15 H new ATOM 0 HB3 LYS A 10 5.935 8.129 4.445 1.00 42.15 H new ATOM 0 HG2 LYS A 10 6.303 5.831 5.385 1.00 54.33 H new ATOM 0 HG3 LYS A 10 7.315 5.448 4.006 1.00 54.33 H new ATOM 0 HD2 LYS A 10 7.843 7.675 6.022 1.00 74.32 H new ATOM 0 HD3 LYS A 10 8.661 6.126 5.983 1.00 74.32 H new ATOM 0 HE2 LYS A 10 9.558 6.639 3.724 1.00 41.41 H new ATOM 0 HE3 LYS A 10 8.711 8.173 3.724 1.00 41.41 H new ATOM 0 HZ1 LYS A 10 11.019 8.447 4.338 1.00 74.45 H new ATOM 0 HZ2 LYS A 10 10.018 8.863 5.645 1.00 74.45 H new ATOM 0 HZ3 LYS A 10 10.839 7.377 5.644 1.00 74.45 H new ATOM 169 N GLY A 11 3.851 4.836 4.164 1.00 74.22 N ATOM 170 CA GLY A 11 2.932 4.198 5.098 1.00 60.33 C ATOM 171 C GLY A 11 3.536 2.994 5.805 1.00 33.24 C ATOM 172 O GLY A 11 4.620 2.534 5.452 1.00 1.12 O ATOM 0 H GLY A 11 4.337 4.196 3.536 1.00 74.22 H new ATOM 0 HA2 GLY A 11 2.616 4.928 5.843 1.00 60.33 H new ATOM 0 HA3 GLY A 11 2.037 3.884 4.560 1.00 60.33 H new ATOM 176 N VAL A 12 2.823 2.469 6.796 1.00 74.13 N ATOM 177 CA VAL A 12 3.305 1.318 7.567 1.00 62.15 C ATOM 178 C VAL A 12 2.492 0.046 7.258 1.00 2.15 C ATOM 179 O VAL A 12 1.265 0.091 7.127 1.00 52.50 O ATOM 180 CB VAL A 12 3.262 1.610 9.091 1.00 11.32 C ATOM 181 CG1 VAL A 12 1.830 1.853 9.573 1.00 52.32 C ATOM 182 CG2 VAL A 12 3.923 0.478 9.872 1.00 54.11 C ATOM 0 H VAL A 12 1.910 2.818 7.087 1.00 74.13 H new ATOM 0 HA VAL A 12 4.339 1.146 7.268 1.00 62.15 H new ATOM 0 HB VAL A 12 3.825 2.525 9.275 1.00 11.32 H new ATOM 0 HG11 VAL A 12 1.836 2.054 10.644 1.00 52.32 H new ATOM 0 HG12 VAL A 12 1.409 2.709 9.045 1.00 52.32 H new ATOM 0 HG13 VAL A 12 1.224 0.969 9.373 1.00 52.32 H new ATOM 0 HG21 VAL A 12 3.883 0.700 10.938 1.00 54.11 H new ATOM 0 HG22 VAL A 12 3.396 -0.456 9.676 1.00 54.11 H new ATOM 0 HG23 VAL A 12 4.963 0.380 9.560 1.00 54.11 H new ATOM 192 N VAL A 13 3.188 -1.081 7.127 1.00 1.33 N ATOM 193 CA VAL A 13 2.545 -2.368 6.842 1.00 73.43 C ATOM 194 C VAL A 13 1.807 -2.921 8.075 1.00 13.45 C ATOM 195 O VAL A 13 2.412 -3.135 9.127 1.00 75.33 O ATOM 196 CB VAL A 13 3.583 -3.415 6.366 1.00 12.54 C ATOM 197 CG1 VAL A 13 2.906 -4.747 6.051 1.00 33.22 C ATOM 198 CG2 VAL A 13 4.357 -2.897 5.154 1.00 62.44 C ATOM 0 H VAL A 13 4.203 -1.132 7.214 1.00 1.33 H new ATOM 0 HA VAL A 13 1.820 -2.186 6.049 1.00 73.43 H new ATOM 0 HB VAL A 13 4.293 -3.582 7.176 1.00 12.54 H new ATOM 0 HG11 VAL A 13 3.655 -5.466 5.719 1.00 33.22 H new ATOM 0 HG12 VAL A 13 2.412 -5.125 6.946 1.00 33.22 H new ATOM 0 HG13 VAL A 13 2.167 -4.602 5.263 1.00 33.22 H new ATOM 0 HG21 VAL A 13 5.080 -3.648 4.836 1.00 62.44 H new ATOM 0 HG22 VAL A 13 3.663 -2.694 4.339 1.00 62.44 H new ATOM 0 HG23 VAL A 13 4.881 -1.979 5.422 1.00 62.44 H new ATOM 208 N THR A 14 0.503 -3.159 7.933 1.00 42.50 N ATOM 209 CA THR A 14 -0.312 -3.699 9.034 1.00 42.31 C ATOM 210 C THR A 14 -0.249 -5.230 9.085 1.00 54.44 C ATOM 211 O THR A 14 0.005 -5.811 10.139 1.00 14.42 O ATOM 212 CB THR A 14 -1.791 -3.264 8.922 1.00 40.42 C ATOM 213 OG1 THR A 14 -2.360 -3.738 7.690 1.00 1.22 O ATOM 214 CG2 THR A 14 -1.916 -1.747 8.993 1.00 1.21 C ATOM 0 H THR A 14 -0.015 -2.989 7.071 1.00 42.50 H new ATOM 0 HA THR A 14 0.111 -3.290 9.952 1.00 42.31 H new ATOM 0 HB THR A 14 -2.335 -3.700 9.760 1.00 40.42 H new ATOM 0 HG1 THR A 14 -2.034 -3.189 6.947 1.00 1.22 H new ATOM 0 HG21 THR A 14 -2.966 -1.464 8.912 1.00 1.21 H new ATOM 0 HG22 THR A 14 -1.517 -1.393 9.944 1.00 1.21 H new ATOM 0 HG23 THR A 14 -1.355 -1.297 8.174 1.00 1.21 H new ATOM 222 N ARG A 15 -0.495 -5.881 7.949 1.00 64.14 N ATOM 223 CA ARG A 15 -0.375 -7.343 7.856 1.00 70.54 C ATOM 224 C ARG A 15 -0.032 -7.783 6.424 1.00 43.32 C ATOM 225 O ARG A 15 -0.311 -7.067 5.458 1.00 1.54 O ATOM 226 CB ARG A 15 -1.671 -8.033 8.318 1.00 35.20 C ATOM 227 CG ARG A 15 -2.844 -7.863 7.358 1.00 0.40 C ATOM 228 CD ARG A 15 -4.102 -8.578 7.850 1.00 51.15 C ATOM 229 NE ARG A 15 -5.049 -8.799 6.762 1.00 42.30 N ATOM 230 CZ ARG A 15 -6.340 -8.654 6.855 1.00 51.14 C ATOM 231 NH1 ARG A 15 -6.892 -8.289 7.968 1.00 43.44 N ATOM 232 NH2 ARG A 15 -7.084 -8.888 5.826 1.00 3.40 N ATOM 0 H ARG A 15 -0.778 -5.425 7.081 1.00 64.14 H new ATOM 0 HA ARG A 15 0.438 -7.645 8.516 1.00 70.54 H new ATOM 0 HB2 ARG A 15 -1.476 -9.097 8.451 1.00 35.20 H new ATOM 0 HB3 ARG A 15 -1.953 -7.636 9.293 1.00 35.20 H new ATOM 0 HG2 ARG A 15 -3.057 -6.801 7.232 1.00 0.40 H new ATOM 0 HG3 ARG A 15 -2.568 -8.251 6.378 1.00 0.40 H new ATOM 0 HD2 ARG A 15 -3.828 -9.534 8.296 1.00 51.15 H new ATOM 0 HD3 ARG A 15 -4.576 -7.986 8.633 1.00 51.15 H new ATOM 0 HE ARG A 15 -4.671 -9.089 5.860 1.00 42.30 H new ATOM 0 HH11 ARG A 15 -6.314 -8.110 8.789 1.00 43.44 H new ATOM 0 HH12 ARG A 15 -7.905 -8.180 8.023 1.00 43.44 H new ATOM 0 HH21 ARG A 15 -6.660 -9.185 4.947 1.00 3.40 H new ATOM 0 HH22 ARG A 15 -8.096 -8.776 5.892 1.00 3.40 H new ATOM 246 N ILE A 16 0.563 -8.965 6.297 1.00 34.41 N ATOM 247 CA ILE A 16 0.975 -9.497 4.992 1.00 52.41 C ATOM 248 C ILE A 16 -0.054 -10.489 4.429 1.00 12.24 C ATOM 249 O ILE A 16 -0.301 -11.550 5.012 1.00 52.33 O ATOM 250 CB ILE A 16 2.359 -10.195 5.085 1.00 25.21 C ATOM 251 CG1 ILE A 16 3.425 -9.208 5.598 1.00 35.24 C ATOM 252 CG2 ILE A 16 2.770 -10.782 3.731 1.00 13.24 C ATOM 253 CD1 ILE A 16 3.608 -7.991 4.716 1.00 60.34 C ATOM 0 H ILE A 16 0.774 -9.579 7.083 1.00 34.41 H new ATOM 0 HA ILE A 16 1.044 -8.645 4.315 1.00 52.41 H new ATOM 0 HB ILE A 16 2.279 -11.018 5.796 1.00 25.21 H new ATOM 0 HG12 ILE A 16 3.150 -8.880 6.601 1.00 35.24 H new ATOM 0 HG13 ILE A 16 4.378 -9.730 5.683 1.00 35.24 H new ATOM 0 HG21 ILE A 16 3.743 -11.265 3.824 1.00 13.24 H new ATOM 0 HG22 ILE A 16 2.029 -11.516 3.413 1.00 13.24 H new ATOM 0 HG23 ILE A 16 2.831 -9.983 2.992 1.00 13.24 H new ATOM 0 HD11 ILE A 16 4.374 -7.344 5.143 1.00 60.34 H new ATOM 0 HD12 ILE A 16 3.914 -8.307 3.719 1.00 60.34 H new ATOM 0 HD13 ILE A 16 2.667 -7.444 4.650 1.00 60.34 H new ATOM 265 N GLU A 17 -0.647 -10.138 3.290 1.00 52.51 N ATOM 266 CA GLU A 17 -1.587 -11.019 2.586 1.00 3.03 C ATOM 267 C GLU A 17 -0.858 -11.819 1.493 1.00 41.11 C ATOM 268 O GLU A 17 0.223 -11.438 1.045 1.00 73.24 O ATOM 269 CB GLU A 17 -2.720 -10.197 1.945 1.00 63.21 C ATOM 270 CG GLU A 17 -3.458 -9.272 2.910 1.00 25.13 C ATOM 271 CD GLU A 17 -4.408 -10.003 3.848 1.00 43.44 C ATOM 272 OE1 GLU A 17 -3.938 -10.628 4.816 1.00 5.44 O ATOM 273 OE2 GLU A 17 -5.636 -9.936 3.638 1.00 61.42 O ATOM 0 H GLU A 17 -0.493 -9.242 2.828 1.00 52.51 H new ATOM 0 HA GLU A 17 -2.012 -11.710 3.314 1.00 3.03 H new ATOM 0 HB2 GLU A 17 -2.303 -9.598 1.135 1.00 63.21 H new ATOM 0 HB3 GLU A 17 -3.440 -10.882 1.497 1.00 63.21 H new ATOM 0 HG2 GLU A 17 -2.727 -8.722 3.503 1.00 25.13 H new ATOM 0 HG3 GLU A 17 -4.022 -8.537 2.336 1.00 25.13 H new ATOM 280 N LYS A 18 -1.455 -12.916 1.048 1.00 60.31 N ATOM 281 CA LYS A 18 -0.863 -13.730 -0.023 1.00 14.22 C ATOM 282 C LYS A 18 -1.204 -13.165 -1.414 1.00 73.23 C ATOM 283 O LYS A 18 -0.874 -13.760 -2.441 1.00 30.41 O ATOM 284 CB LYS A 18 -1.323 -15.186 0.115 1.00 31.35 C ATOM 285 CG LYS A 18 -0.826 -15.840 1.403 1.00 30.30 C ATOM 286 CD LYS A 18 -1.359 -17.254 1.591 1.00 12.25 C ATOM 287 CE LYS A 18 -2.877 -17.282 1.721 1.00 3.44 C ATOM 288 NZ LYS A 18 -3.362 -18.603 2.196 1.00 11.12 N ATOM 0 H LYS A 18 -2.344 -13.267 1.405 1.00 60.31 H new ATOM 0 HA LYS A 18 0.222 -13.696 0.076 1.00 14.22 H new ATOM 0 HB2 LYS A 18 -2.412 -15.223 0.090 1.00 31.35 H new ATOM 0 HB3 LYS A 18 -0.965 -15.759 -0.740 1.00 31.35 H new ATOM 0 HG2 LYS A 18 0.264 -15.866 1.395 1.00 30.30 H new ATOM 0 HG3 LYS A 18 -1.124 -15.228 2.254 1.00 30.30 H new ATOM 0 HD2 LYS A 18 -1.057 -17.870 0.744 1.00 12.25 H new ATOM 0 HD3 LYS A 18 -0.911 -17.694 2.482 1.00 12.25 H new ATOM 0 HE2 LYS A 18 -3.197 -16.505 2.415 1.00 3.44 H new ATOM 0 HE3 LYS A 18 -3.329 -17.053 0.756 1.00 3.44 H new ATOM 0 HZ1 LYS A 18 -4.399 -18.585 2.273 1.00 11.12 H new ATOM 0 HZ2 LYS A 18 -3.077 -19.341 1.520 1.00 11.12 H new ATOM 0 HZ3 LYS A 18 -2.950 -18.810 3.128 1.00 11.12 H new ATOM 302 N TYR A 19 -1.858 -12.005 -1.430 1.00 4.14 N ATOM 303 CA TYR A 19 -2.152 -11.275 -2.672 1.00 42.24 C ATOM 304 C TYR A 19 -1.698 -9.806 -2.568 1.00 45.21 C ATOM 305 O TYR A 19 -2.016 -8.979 -3.422 1.00 11.22 O ATOM 306 CB TYR A 19 -3.656 -11.354 -2.989 1.00 23.43 C ATOM 307 CG TYR A 19 -4.560 -10.849 -1.875 1.00 5.44 C ATOM 308 CD1 TYR A 19 -4.925 -11.675 -0.816 1.00 14.41 C ATOM 309 CD2 TYR A 19 -5.054 -9.548 -1.885 1.00 64.45 C ATOM 310 CE1 TYR A 19 -5.752 -11.221 0.193 1.00 31.55 C ATOM 311 CE2 TYR A 19 -5.880 -9.087 -0.877 1.00 55.25 C ATOM 312 CZ TYR A 19 -6.227 -9.927 0.159 1.00 52.32 C ATOM 313 OH TYR A 19 -7.056 -9.473 1.163 1.00 1.10 O ATOM 0 H TYR A 19 -2.200 -11.542 -0.588 1.00 4.14 H new ATOM 0 HA TYR A 19 -1.596 -11.742 -3.485 1.00 42.24 H new ATOM 0 HB2 TYR A 19 -3.855 -10.777 -3.892 1.00 23.43 H new ATOM 0 HB3 TYR A 19 -3.915 -12.390 -3.209 1.00 23.43 H new ATOM 0 HD1 TYR A 19 -4.555 -12.689 -0.782 1.00 14.41 H new ATOM 0 HD2 TYR A 19 -4.787 -8.886 -2.696 1.00 64.45 H new ATOM 0 HE1 TYR A 19 -6.026 -11.877 1.006 1.00 31.55 H new ATOM 0 HE2 TYR A 19 -6.252 -8.073 -0.901 1.00 55.25 H new ATOM 0 HH TYR A 19 -6.622 -9.607 2.031 1.00 1.10 H new ATOM 323 N GLY A 20 -0.931 -9.499 -1.519 1.00 32.51 N ATOM 324 CA GLY A 20 -0.466 -8.135 -1.287 1.00 0.23 C ATOM 325 C GLY A 20 -0.270 -7.821 0.193 1.00 42.01 C ATOM 326 O GLY A 20 -0.249 -8.720 1.024 1.00 21.23 O ATOM 0 H GLY A 20 -0.621 -10.175 -0.821 1.00 32.51 H new ATOM 0 HA2 GLY A 20 0.476 -7.983 -1.814 1.00 0.23 H new ATOM 0 HA3 GLY A 20 -1.185 -7.434 -1.710 1.00 0.23 H new ATOM 330 N ALA A 21 -0.106 -6.549 0.527 1.00 4.10 N ATOM 331 CA ALA A 21 -0.003 -6.128 1.930 1.00 71.21 C ATOM 332 C ALA A 21 -0.829 -4.864 2.199 1.00 63.04 C ATOM 333 O ALA A 21 -0.754 -3.894 1.446 1.00 51.11 O ATOM 334 CB ALA A 21 1.457 -5.896 2.308 1.00 25.14 C ATOM 0 H ALA A 21 -0.041 -5.787 -0.148 1.00 4.10 H new ATOM 0 HA ALA A 21 -0.408 -6.929 2.549 1.00 71.21 H new ATOM 0 HB1 ALA A 21 1.518 -5.584 3.351 1.00 25.14 H new ATOM 0 HB2 ALA A 21 2.019 -6.820 2.172 1.00 25.14 H new ATOM 0 HB3 ALA A 21 1.878 -5.118 1.672 1.00 25.14 H new ATOM 340 N PHE A 22 -1.622 -4.879 3.269 1.00 74.44 N ATOM 341 CA PHE A 22 -2.419 -3.708 3.648 1.00 53.44 C ATOM 342 C PHE A 22 -1.566 -2.673 4.389 1.00 35.00 C ATOM 343 O PHE A 22 -1.073 -2.928 5.490 1.00 11.42 O ATOM 344 CB PHE A 22 -3.623 -4.117 4.508 1.00 33.35 C ATOM 345 CG PHE A 22 -4.741 -4.748 3.716 1.00 34.00 C ATOM 346 CD1 PHE A 22 -5.678 -3.953 3.071 1.00 2.22 C ATOM 347 CD2 PHE A 22 -4.853 -6.124 3.610 1.00 61.24 C ATOM 348 CE1 PHE A 22 -6.706 -4.519 2.341 1.00 74.04 C ATOM 349 CE2 PHE A 22 -5.880 -6.695 2.880 1.00 11.41 C ATOM 350 CZ PHE A 22 -6.805 -5.891 2.242 1.00 53.11 C ATOM 0 H PHE A 22 -1.731 -5.683 3.887 1.00 74.44 H new ATOM 0 HA PHE A 22 -2.789 -3.252 2.729 1.00 53.44 H new ATOM 0 HB2 PHE A 22 -3.291 -4.817 5.274 1.00 33.35 H new ATOM 0 HB3 PHE A 22 -4.006 -3.237 5.025 1.00 33.35 H new ATOM 0 HD1 PHE A 22 -5.603 -2.878 3.140 1.00 2.22 H new ATOM 0 HD2 PHE A 22 -4.131 -6.758 4.103 1.00 61.24 H new ATOM 0 HE1 PHE A 22 -7.431 -3.888 1.849 1.00 74.04 H new ATOM 0 HE2 PHE A 22 -5.959 -7.770 2.809 1.00 11.41 H new ATOM 0 HZ PHE A 22 -7.604 -6.336 1.667 1.00 53.11 H new ATOM 360 N ILE A 23 -1.399 -1.508 3.779 1.00 72.22 N ATOM 361 CA ILE A 23 -0.572 -0.438 4.343 1.00 65.24 C ATOM 362 C ILE A 23 -1.420 0.785 4.735 1.00 42.13 C ATOM 363 O ILE A 23 -2.323 1.188 4.000 1.00 44.34 O ATOM 364 CB ILE A 23 0.527 -0.009 3.334 1.00 44.23 C ATOM 365 CG1 ILE A 23 1.479 -1.185 3.049 1.00 73.24 C ATOM 366 CG2 ILE A 23 1.301 1.207 3.843 1.00 41.11 C ATOM 367 CD1 ILE A 23 2.583 -0.854 2.066 1.00 65.25 C ATOM 0 H ILE A 23 -1.828 -1.274 2.884 1.00 72.22 H new ATOM 0 HA ILE A 23 -0.101 -0.832 5.244 1.00 65.24 H new ATOM 0 HB ILE A 23 0.040 0.277 2.402 1.00 44.23 H new ATOM 0 HG12 ILE A 23 1.927 -1.513 3.987 1.00 73.24 H new ATOM 0 HG13 ILE A 23 0.900 -2.023 2.662 1.00 73.24 H new ATOM 0 HG21 ILE A 23 2.064 1.484 3.115 1.00 41.11 H new ATOM 0 HG22 ILE A 23 0.615 2.042 3.985 1.00 41.11 H new ATOM 0 HG23 ILE A 23 1.777 0.964 4.793 1.00 41.11 H new ATOM 0 HD11 ILE A 23 3.212 -1.731 1.916 1.00 65.25 H new ATOM 0 HD12 ILE A 23 2.145 -0.555 1.114 1.00 65.25 H new ATOM 0 HD13 ILE A 23 3.188 -0.037 2.460 1.00 65.25 H new ATOM 379 N ASN A 24 -1.130 1.363 5.903 1.00 22.52 N ATOM 380 CA ASN A 24 -1.806 2.587 6.354 1.00 5.11 C ATOM 381 C ASN A 24 -0.949 3.829 6.086 1.00 21.32 C ATOM 382 O ASN A 24 0.164 3.949 6.600 1.00 70.14 O ATOM 383 CB ASN A 24 -2.133 2.525 7.855 1.00 70.41 C ATOM 384 CG ASN A 24 -3.227 1.530 8.190 1.00 43.31 C ATOM 385 OD1 ASN A 24 -4.079 1.218 7.372 1.00 25.02 O ATOM 386 ND2 ASN A 24 -3.232 1.051 9.415 1.00 70.22 N ATOM 0 H ASN A 24 -0.432 1.005 6.555 1.00 22.52 H new ATOM 0 HA ASN A 24 -2.733 2.659 5.786 1.00 5.11 H new ATOM 0 HB2 ASN A 24 -1.230 2.261 8.406 1.00 70.41 H new ATOM 0 HB3 ASN A 24 -2.436 3.515 8.195 1.00 70.41 H new ATOM 0 HD21 ASN A 24 -3.961 0.400 9.705 1.00 70.22 H new ATOM 0 HD22 ASN A 24 -2.506 1.331 10.075 1.00 70.22 H new ATOM 393 N LEU A 25 -1.470 4.744 5.272 1.00 25.42 N ATOM 394 CA LEU A 25 -0.853 6.066 5.096 1.00 24.01 C ATOM 395 C LEU A 25 -1.320 7.004 6.223 1.00 63.20 C ATOM 396 O LEU A 25 -0.717 8.043 6.494 1.00 23.12 O ATOM 397 CB LEU A 25 -1.227 6.656 3.726 1.00 41.34 C ATOM 398 CG LEU A 25 -0.894 5.768 2.514 1.00 3.12 C ATOM 399 CD1 LEU A 25 -1.309 6.452 1.214 1.00 3.22 C ATOM 400 CD2 LEU A 25 0.590 5.407 2.493 1.00 41.52 C ATOM 0 H LEU A 25 -2.317 4.599 4.722 1.00 25.42 H new ATOM 0 HA LEU A 25 0.231 5.961 5.139 1.00 24.01 H new ATOM 0 HB2 LEU A 25 -2.297 6.866 3.719 1.00 41.34 H new ATOM 0 HB3 LEU A 25 -0.714 7.611 3.608 1.00 41.34 H new ATOM 0 HG LEU A 25 -1.461 4.842 2.605 1.00 3.12 H new ATOM 0 HD11 LEU A 25 -1.065 5.807 0.370 1.00 3.22 H new ATOM 0 HD12 LEU A 25 -2.383 6.640 1.228 1.00 3.22 H new ATOM 0 HD13 LEU A 25 -0.776 7.398 1.114 1.00 3.22 H new ATOM 0 HD21 LEU A 25 0.799 4.779 1.627 1.00 41.52 H new ATOM 0 HD22 LEU A 25 1.185 6.318 2.433 1.00 41.52 H new ATOM 0 HD23 LEU A 25 0.846 4.866 3.404 1.00 41.52 H new ATOM 412 N ASN A 26 -2.419 6.605 6.860 1.00 0.44 N ATOM 413 CA ASN A 26 -2.999 7.306 8.006 1.00 21.25 C ATOM 414 C ASN A 26 -3.956 6.353 8.734 1.00 14.32 C ATOM 415 O ASN A 26 -4.385 5.354 8.155 1.00 25.43 O ATOM 416 CB ASN A 26 -3.750 8.565 7.542 1.00 43.41 C ATOM 417 CG ASN A 26 -4.340 9.368 8.689 1.00 12.15 C ATOM 418 OD1 ASN A 26 -3.805 9.392 9.790 1.00 23.02 O ATOM 419 ND2 ASN A 26 -5.454 10.025 8.447 1.00 72.34 N ATOM 0 H ASN A 26 -2.941 5.771 6.590 1.00 0.44 H new ATOM 0 HA ASN A 26 -2.204 7.618 8.684 1.00 21.25 H new ATOM 0 HB2 ASN A 26 -3.067 9.199 6.976 1.00 43.41 H new ATOM 0 HB3 ASN A 26 -4.550 8.273 6.862 1.00 43.41 H new ATOM 0 HD21 ASN A 26 -5.894 10.573 9.187 1.00 72.34 H new ATOM 0 HD22 ASN A 26 -5.877 9.987 7.520 1.00 72.34 H new ATOM 426 N GLU A 27 -4.293 6.657 9.984 1.00 42.33 N ATOM 427 CA GLU A 27 -5.221 5.824 10.771 1.00 10.25 C ATOM 428 C GLU A 27 -6.458 5.394 9.952 1.00 61.33 C ATOM 429 O GLU A 27 -6.909 4.248 10.036 1.00 50.03 O ATOM 430 CB GLU A 27 -5.668 6.588 12.026 1.00 33.12 C ATOM 431 CG GLU A 27 -6.680 5.834 12.881 1.00 41.12 C ATOM 432 CD GLU A 27 -7.112 6.621 14.107 1.00 4.04 C ATOM 433 OE1 GLU A 27 -8.006 7.481 13.981 1.00 41.02 O ATOM 434 OE2 GLU A 27 -6.564 6.378 15.203 1.00 72.55 O ATOM 0 H GLU A 27 -3.941 7.474 10.482 1.00 42.33 H new ATOM 0 HA GLU A 27 -4.686 4.918 11.056 1.00 10.25 H new ATOM 0 HB2 GLU A 27 -4.791 6.814 12.633 1.00 33.12 H new ATOM 0 HB3 GLU A 27 -6.101 7.541 11.724 1.00 33.12 H new ATOM 0 HG2 GLU A 27 -7.557 5.599 12.277 1.00 41.12 H new ATOM 0 HG3 GLU A 27 -6.247 4.885 13.197 1.00 41.12 H new ATOM 441 N GLN A 28 -6.995 6.320 9.156 1.00 41.33 N ATOM 442 CA GLN A 28 -8.172 6.045 8.318 1.00 74.05 C ATOM 443 C GLN A 28 -7.789 5.509 6.924 1.00 12.11 C ATOM 444 O GLN A 28 -8.506 4.687 6.353 1.00 25.20 O ATOM 445 CB GLN A 28 -9.016 7.319 8.160 1.00 4.01 C ATOM 446 CG GLN A 28 -9.612 7.840 9.464 1.00 50.30 C ATOM 447 CD GLN A 28 -10.574 6.856 10.110 1.00 62.35 C ATOM 448 OE1 GLN A 28 -10.070 6.027 11.002 1.00 1.02 O flip ATOM 449 NE2 GLN A 28 -11.763 6.843 9.813 1.00 33.22 N flip ATOM 0 H GLN A 28 -6.635 7.271 9.071 1.00 41.33 H new ATOM 0 HA GLN A 28 -8.750 5.271 8.824 1.00 74.05 H new ATOM 0 HB2 GLN A 28 -8.396 8.100 7.719 1.00 4.01 H new ATOM 0 HB3 GLN A 28 -9.825 7.120 7.457 1.00 4.01 H new ATOM 0 HG2 GLN A 28 -8.806 8.063 10.162 1.00 50.30 H new ATOM 0 HG3 GLN A 28 -10.134 8.777 9.270 1.00 50.30 H new ATOM 0 HE21 GLN A 28 -12.122 7.498 9.118 1.00 33.22 H new ATOM 0 HE22 GLN A 28 -12.393 6.177 10.260 1.00 33.22 H new ATOM 458 N VAL A 29 -6.659 5.966 6.389 1.00 20.04 N ATOM 459 CA VAL A 29 -6.256 5.620 5.016 1.00 23.43 C ATOM 460 C VAL A 29 -5.538 4.260 4.941 1.00 55.02 C ATOM 461 O VAL A 29 -4.365 4.145 5.305 1.00 53.02 O ATOM 462 CB VAL A 29 -5.332 6.708 4.408 1.00 52.33 C ATOM 463 CG1 VAL A 29 -4.928 6.344 2.979 1.00 45.04 C ATOM 464 CG2 VAL A 29 -6.011 8.077 4.447 1.00 53.42 C ATOM 0 H VAL A 29 -6.004 6.575 6.879 1.00 20.04 H new ATOM 0 HA VAL A 29 -7.179 5.558 4.440 1.00 23.43 H new ATOM 0 HB VAL A 29 -4.426 6.759 5.012 1.00 52.33 H new ATOM 0 HG11 VAL A 29 -4.281 7.122 2.575 1.00 45.04 H new ATOM 0 HG12 VAL A 29 -4.394 5.394 2.983 1.00 45.04 H new ATOM 0 HG13 VAL A 29 -5.821 6.257 2.360 1.00 45.04 H new ATOM 0 HG21 VAL A 29 -5.346 8.825 4.016 1.00 53.42 H new ATOM 0 HG22 VAL A 29 -6.937 8.040 3.873 1.00 53.42 H new ATOM 0 HG23 VAL A 29 -6.235 8.343 5.480 1.00 53.42 H new ATOM 474 N ARG A 30 -6.249 3.238 4.455 1.00 33.00 N ATOM 475 CA ARG A 30 -5.682 1.889 4.300 1.00 65.44 C ATOM 476 C ARG A 30 -5.849 1.376 2.862 1.00 41.34 C ATOM 477 O ARG A 30 -6.954 1.379 2.314 1.00 61.11 O ATOM 478 CB ARG A 30 -6.359 0.918 5.278 1.00 1.54 C ATOM 479 CG ARG A 30 -5.770 -0.492 5.266 1.00 55.20 C ATOM 480 CD ARG A 30 -6.473 -1.404 6.267 1.00 32.13 C ATOM 481 NE ARG A 30 -6.461 -0.845 7.620 1.00 40.33 N ATOM 482 CZ ARG A 30 -5.860 -1.384 8.643 1.00 25.51 C ATOM 483 NH1 ARG A 30 -5.205 -2.497 8.522 1.00 22.20 N ATOM 484 NH2 ARG A 30 -5.918 -0.806 9.799 1.00 54.11 N ATOM 0 H ARG A 30 -7.222 3.317 4.160 1.00 33.00 H new ATOM 0 HA ARG A 30 -4.616 1.946 4.521 1.00 65.44 H new ATOM 0 HB2 ARG A 30 -6.283 1.323 6.287 1.00 1.54 H new ATOM 0 HB3 ARG A 30 -7.421 0.859 5.038 1.00 1.54 H new ATOM 0 HG2 ARG A 30 -5.857 -0.914 4.265 1.00 55.20 H new ATOM 0 HG3 ARG A 30 -4.707 -0.445 5.501 1.00 55.20 H new ATOM 0 HD2 ARG A 30 -7.503 -1.564 5.950 1.00 32.13 H new ATOM 0 HD3 ARG A 30 -5.986 -2.379 6.273 1.00 32.13 H new ATOM 0 HE ARG A 30 -6.960 0.031 7.773 1.00 40.33 H new ATOM 0 HH11 ARG A 30 -5.155 -2.963 7.616 1.00 22.20 H new ATOM 0 HH12 ARG A 30 -4.740 -2.906 9.333 1.00 22.20 H new ATOM 0 HH21 ARG A 30 -6.433 0.068 9.907 1.00 54.11 H new ATOM 0 HH22 ARG A 30 -5.449 -1.224 10.602 1.00 54.11 H new ATOM 498 N GLY A 31 -4.753 0.919 2.262 1.00 35.22 N ATOM 499 CA GLY A 31 -4.798 0.408 0.892 1.00 55.23 C ATOM 500 C GLY A 31 -4.066 -0.919 0.724 1.00 22.32 C ATOM 501 O GLY A 31 -3.515 -1.461 1.683 1.00 64.30 O ATOM 0 H GLY A 31 -3.831 0.891 2.696 1.00 35.22 H new ATOM 0 HA2 GLY A 31 -5.838 0.283 0.591 1.00 55.23 H new ATOM 0 HA3 GLY A 31 -4.359 1.146 0.221 1.00 55.23 H new ATOM 505 N LEU A 32 -4.047 -1.436 -0.503 1.00 63.31 N ATOM 506 CA LEU A 32 -3.435 -2.737 -0.793 1.00 11.34 C ATOM 507 C LEU A 32 -2.218 -2.599 -1.723 1.00 3.32 C ATOM 508 O LEU A 32 -2.333 -2.119 -2.854 1.00 10.15 O ATOM 509 CB LEU A 32 -4.473 -3.673 -1.431 1.00 45.03 C ATOM 510 CG LEU A 32 -3.973 -5.092 -1.760 1.00 71.15 C ATOM 511 CD1 LEU A 32 -3.587 -5.842 -0.486 1.00 33.22 C ATOM 512 CD2 LEU A 32 -5.031 -5.867 -2.545 1.00 11.21 C ATOM 0 H LEU A 32 -4.450 -0.973 -1.318 1.00 63.31 H new ATOM 0 HA LEU A 32 -3.089 -3.159 0.151 1.00 11.34 H new ATOM 0 HB2 LEU A 32 -5.326 -3.754 -0.757 1.00 45.03 H new ATOM 0 HB3 LEU A 32 -4.836 -3.212 -2.350 1.00 45.03 H new ATOM 0 HG LEU A 32 -3.082 -5.003 -2.382 1.00 71.15 H new ATOM 0 HD11 LEU A 32 -3.237 -6.842 -0.744 1.00 33.22 H new ATOM 0 HD12 LEU A 32 -2.793 -5.301 0.028 1.00 33.22 H new ATOM 0 HD13 LEU A 32 -4.456 -5.919 0.168 1.00 33.22 H new ATOM 0 HD21 LEU A 32 -4.659 -6.867 -2.768 1.00 11.21 H new ATOM 0 HD22 LEU A 32 -5.942 -5.943 -1.951 1.00 11.21 H new ATOM 0 HD23 LEU A 32 -5.248 -5.345 -3.477 1.00 11.21 H new ATOM 524 N LEU A 33 -1.054 -3.012 -1.232 1.00 73.54 N ATOM 525 CA LEU A 33 0.171 -3.052 -2.037 1.00 53.24 C ATOM 526 C LEU A 33 0.370 -4.453 -2.639 1.00 51.23 C ATOM 527 O LEU A 33 0.593 -5.422 -1.915 1.00 23.53 O ATOM 528 CB LEU A 33 1.381 -2.666 -1.170 1.00 15.41 C ATOM 529 CG LEU A 33 2.741 -2.677 -1.887 1.00 73.13 C ATOM 530 CD1 LEU A 33 2.753 -1.693 -3.055 1.00 45.11 C ATOM 531 CD2 LEU A 33 3.868 -2.363 -0.906 1.00 13.02 C ATOM 0 H LEU A 33 -0.929 -3.328 -0.270 1.00 73.54 H new ATOM 0 HA LEU A 33 0.079 -2.336 -2.854 1.00 53.24 H new ATOM 0 HB2 LEU A 33 1.212 -1.668 -0.765 1.00 15.41 H new ATOM 0 HB3 LEU A 33 1.431 -3.350 -0.323 1.00 15.41 H new ATOM 0 HG LEU A 33 2.903 -3.677 -2.289 1.00 73.13 H new ATOM 0 HD11 LEU A 33 3.727 -1.721 -3.544 1.00 45.11 H new ATOM 0 HD12 LEU A 33 1.979 -1.969 -3.771 1.00 45.11 H new ATOM 0 HD13 LEU A 33 2.562 -0.686 -2.684 1.00 45.11 H new ATOM 0 HD21 LEU A 33 4.822 -2.375 -1.432 1.00 13.02 H new ATOM 0 HD22 LEU A 33 3.707 -1.377 -0.470 1.00 13.02 H new ATOM 0 HD23 LEU A 33 3.880 -3.112 -0.114 1.00 13.02 H new ATOM 543 N ARG A 34 0.287 -4.557 -3.964 1.00 12.31 N ATOM 544 CA ARG A 34 0.359 -5.858 -4.646 1.00 71.20 C ATOM 545 C ARG A 34 1.771 -6.157 -5.179 1.00 61.43 C ATOM 546 O ARG A 34 2.473 -5.258 -5.641 1.00 22.30 O ATOM 547 CB ARG A 34 -0.658 -5.896 -5.792 1.00 1.24 C ATOM 548 CG ARG A 34 -2.102 -5.855 -5.312 1.00 70.33 C ATOM 549 CD ARG A 34 -3.081 -5.669 -6.466 1.00 73.20 C ATOM 550 NE ARG A 34 -2.879 -4.390 -7.149 1.00 15.13 N ATOM 551 CZ ARG A 34 -3.773 -3.436 -7.205 1.00 31.12 C ATOM 552 NH1 ARG A 34 -4.934 -3.576 -6.647 1.00 65.31 N ATOM 553 NH2 ARG A 34 -3.510 -2.338 -7.828 1.00 21.54 N ATOM 0 H ARG A 34 0.170 -3.760 -4.590 1.00 12.31 H new ATOM 0 HA ARG A 34 0.121 -6.630 -3.915 1.00 71.20 H new ATOM 0 HB2 ARG A 34 -0.479 -5.051 -6.457 1.00 1.24 H new ATOM 0 HB3 ARG A 34 -0.502 -6.802 -6.378 1.00 1.24 H new ATOM 0 HG2 ARG A 34 -2.335 -6.780 -4.784 1.00 70.33 H new ATOM 0 HG3 ARG A 34 -2.224 -5.041 -4.598 1.00 70.33 H new ATOM 0 HD2 ARG A 34 -2.962 -6.485 -7.179 1.00 73.20 H new ATOM 0 HD3 ARG A 34 -4.102 -5.722 -6.089 1.00 73.20 H new ATOM 0 HE ARG A 34 -1.983 -4.232 -7.611 1.00 15.13 H new ATOM 0 HH11 ARG A 34 -5.162 -4.440 -6.155 1.00 65.31 H new ATOM 0 HH12 ARG A 34 -5.619 -2.823 -6.700 1.00 65.31 H new ATOM 0 HH21 ARG A 34 -2.604 -2.212 -8.278 1.00 21.54 H new ATOM 0 HH22 ARG A 34 -4.208 -1.596 -7.870 1.00 21.54 H new ATOM 567 N PRO A 35 2.190 -7.443 -5.153 1.00 73.12 N ATOM 568 CA PRO A 35 3.553 -7.854 -5.559 1.00 32.34 C ATOM 569 C PRO A 35 3.892 -7.486 -7.014 1.00 51.02 C ATOM 570 O PRO A 35 5.065 -7.361 -7.378 1.00 44.33 O ATOM 571 CB PRO A 35 3.536 -9.384 -5.377 1.00 34.55 C ATOM 572 CG PRO A 35 2.089 -9.756 -5.382 1.00 15.43 C ATOM 573 CD PRO A 35 1.374 -8.602 -4.741 1.00 42.40 C ATOM 0 HA PRO A 35 4.314 -7.345 -4.967 1.00 32.34 H new ATOM 0 HB2 PRO A 35 4.075 -9.884 -6.182 1.00 34.55 H new ATOM 0 HB3 PRO A 35 4.016 -9.676 -4.443 1.00 34.55 H new ATOM 0 HG2 PRO A 35 1.731 -9.924 -6.398 1.00 15.43 H new ATOM 0 HG3 PRO A 35 1.920 -10.679 -4.828 1.00 15.43 H new ATOM 0 HD2 PRO A 35 0.345 -8.518 -5.092 1.00 42.40 H new ATOM 0 HD3 PRO A 35 1.333 -8.703 -3.656 1.00 42.40 H new ATOM 581 N ARG A 36 2.864 -7.315 -7.843 1.00 64.11 N ATOM 582 CA ARG A 36 3.059 -6.975 -9.257 1.00 70.34 C ATOM 583 C ARG A 36 3.371 -5.480 -9.437 1.00 21.52 C ATOM 584 O ARG A 36 4.077 -5.088 -10.367 1.00 34.40 O ATOM 585 CB ARG A 36 1.809 -7.347 -10.060 1.00 63.51 C ATOM 586 CG ARG A 36 1.351 -8.789 -9.854 1.00 22.15 C ATOM 587 CD ARG A 36 0.166 -9.137 -10.750 1.00 54.44 C ATOM 588 NE ARG A 36 0.526 -9.086 -12.166 1.00 5.42 N ATOM 589 CZ ARG A 36 0.008 -8.261 -13.033 1.00 63.22 C ATOM 590 NH1 ARG A 36 -0.891 -7.396 -12.674 1.00 21.32 N ATOM 591 NH2 ARG A 36 0.405 -8.288 -14.261 1.00 62.32 N ATOM 0 H ARG A 36 1.887 -7.406 -7.563 1.00 64.11 H new ATOM 0 HA ARG A 36 3.912 -7.544 -9.626 1.00 70.34 H new ATOM 0 HB2 ARG A 36 0.997 -6.675 -9.783 1.00 63.51 H new ATOM 0 HB3 ARG A 36 2.008 -7.187 -11.120 1.00 63.51 H new ATOM 0 HG2 ARG A 36 2.178 -9.467 -10.064 1.00 22.15 H new ATOM 0 HG3 ARG A 36 1.074 -8.938 -8.810 1.00 22.15 H new ATOM 0 HD2 ARG A 36 -0.197 -10.135 -10.502 1.00 54.44 H new ATOM 0 HD3 ARG A 36 -0.652 -8.443 -10.557 1.00 54.44 H new ATOM 0 HE ARG A 36 1.232 -9.742 -12.499 1.00 5.42 H new ATOM 0 HH11 ARG A 36 -1.201 -7.356 -11.703 1.00 21.32 H new ATOM 0 HH12 ARG A 36 -1.288 -6.757 -13.363 1.00 21.32 H new ATOM 0 HH21 ARG A 36 1.122 -8.953 -14.551 1.00 62.32 H new ATOM 0 HH22 ARG A 36 0.002 -7.644 -14.942 1.00 62.32 H new ATOM 605 N ASP A 37 2.862 -4.657 -8.526 1.00 3.24 N ATOM 606 CA ASP A 37 3.071 -3.206 -8.579 1.00 14.11 C ATOM 607 C ASP A 37 4.350 -2.794 -7.813 1.00 63.35 C ATOM 608 O ASP A 37 4.576 -1.615 -7.533 1.00 3.04 O ATOM 609 CB ASP A 37 1.839 -2.496 -8.003 1.00 74.10 C ATOM 610 CG ASP A 37 0.561 -2.848 -8.758 1.00 3.15 C ATOM 611 OD1 ASP A 37 0.236 -2.155 -9.746 1.00 73.13 O ATOM 612 OD2 ASP A 37 -0.126 -3.823 -8.370 1.00 64.43 O ATOM 0 H ASP A 37 2.298 -4.968 -7.736 1.00 3.24 H new ATOM 0 HA ASP A 37 3.207 -2.908 -9.619 1.00 14.11 H new ATOM 0 HB2 ASP A 37 1.724 -2.767 -6.953 1.00 74.10 H new ATOM 0 HB3 ASP A 37 1.994 -1.418 -8.039 1.00 74.10 H new ATOM 617 N MET A 38 5.194 -3.780 -7.495 1.00 55.44 N ATOM 618 CA MET A 38 6.445 -3.542 -6.761 1.00 51.54 C ATOM 619 C MET A 38 7.653 -3.417 -7.709 1.00 73.51 C ATOM 620 O MET A 38 7.690 -4.041 -8.772 1.00 53.32 O ATOM 621 CB MET A 38 6.688 -4.687 -5.767 1.00 74.15 C ATOM 622 CG MET A 38 5.567 -4.858 -4.754 1.00 71.51 C ATOM 623 SD MET A 38 5.380 -3.420 -3.683 1.00 21.31 S ATOM 624 CE MET A 38 6.865 -3.526 -2.692 1.00 15.23 C ATOM 0 H MET A 38 5.034 -4.758 -7.736 1.00 55.44 H new ATOM 0 HA MET A 38 6.341 -2.598 -6.227 1.00 51.54 H new ATOM 0 HB2 MET A 38 6.812 -5.618 -6.320 1.00 74.15 H new ATOM 0 HB3 MET A 38 7.622 -4.505 -5.236 1.00 74.15 H new ATOM 0 HG2 MET A 38 4.630 -5.039 -5.281 1.00 71.51 H new ATOM 0 HG3 MET A 38 5.765 -5.739 -4.143 1.00 71.51 H new ATOM 0 HE1 MET A 38 6.854 -2.742 -1.935 1.00 15.23 H new ATOM 0 HE2 MET A 38 6.909 -4.500 -2.205 1.00 15.23 H new ATOM 0 HE3 MET A 38 7.739 -3.400 -3.331 1.00 15.23 H new ATOM 634 N ILE A 39 8.638 -2.606 -7.318 1.00 43.24 N ATOM 635 CA ILE A 39 9.871 -2.441 -8.106 1.00 32.54 C ATOM 636 C ILE A 39 11.002 -3.362 -7.605 1.00 12.52 C ATOM 637 O ILE A 39 11.655 -4.043 -8.397 1.00 55.22 O ATOM 638 CB ILE A 39 10.367 -0.970 -8.087 1.00 44.03 C ATOM 639 CG1 ILE A 39 9.284 -0.022 -8.636 1.00 23.33 C ATOM 640 CG2 ILE A 39 11.666 -0.818 -8.879 1.00 22.31 C ATOM 641 CD1 ILE A 39 8.878 -0.302 -10.069 1.00 34.53 C ATOM 0 H ILE A 39 8.610 -2.052 -6.462 1.00 43.24 H new ATOM 0 HA ILE A 39 9.618 -2.720 -9.129 1.00 32.54 H new ATOM 0 HB ILE A 39 10.569 -0.698 -7.051 1.00 44.03 H new ATOM 0 HG12 ILE A 39 8.401 -0.091 -8.000 1.00 23.33 H new ATOM 0 HG13 ILE A 39 9.647 1.004 -8.567 1.00 23.33 H new ATOM 0 HG21 ILE A 39 11.991 0.222 -8.849 1.00 22.31 H new ATOM 0 HG22 ILE A 39 12.436 -1.452 -8.439 1.00 22.31 H new ATOM 0 HG23 ILE A 39 11.498 -1.116 -9.914 1.00 22.31 H new ATOM 0 HD11 ILE A 39 8.112 0.410 -10.376 1.00 34.53 H new ATOM 0 HD12 ILE A 39 9.747 -0.203 -10.719 1.00 34.53 H new ATOM 0 HD13 ILE A 39 8.482 -1.315 -10.144 1.00 34.53 H new ATOM 653 N SER A 40 11.227 -3.380 -6.287 1.00 33.13 N ATOM 654 CA SER A 40 12.330 -4.173 -5.696 1.00 22.24 C ATOM 655 C SER A 40 11.849 -5.114 -4.582 1.00 51.43 C ATOM 656 O SER A 40 12.258 -6.272 -4.516 1.00 13.25 O ATOM 657 CB SER A 40 13.414 -3.245 -5.128 1.00 54.41 C ATOM 658 OG SER A 40 14.460 -3.985 -4.511 1.00 34.13 O ATOM 0 H SER A 40 10.670 -2.862 -5.607 1.00 33.13 H new ATOM 0 HA SER A 40 12.738 -4.783 -6.502 1.00 22.24 H new ATOM 0 HB2 SER A 40 13.825 -2.630 -5.929 1.00 54.41 H new ATOM 0 HB3 SER A 40 12.969 -2.566 -4.401 1.00 54.41 H new ATOM 0 HG SER A 40 15.135 -3.367 -4.161 1.00 34.13 H new ATOM 664 N LEU A 41 10.977 -4.615 -3.708 1.00 5.14 N ATOM 665 CA LEU A 41 10.537 -5.383 -2.532 1.00 43.53 C ATOM 666 C LEU A 41 9.463 -6.429 -2.880 1.00 3.42 C ATOM 667 O LEU A 41 8.455 -6.118 -3.511 1.00 34.21 O ATOM 668 CB LEU A 41 9.999 -4.432 -1.451 1.00 25.42 C ATOM 669 CG LEU A 41 11.048 -3.560 -0.746 1.00 3.33 C ATOM 670 CD1 LEU A 41 10.379 -2.613 0.249 1.00 75.54 C ATOM 671 CD2 LEU A 41 12.082 -4.430 -0.039 1.00 61.04 C ATOM 0 H LEU A 41 10.560 -3.688 -3.786 1.00 5.14 H new ATOM 0 HA LEU A 41 11.409 -5.919 -2.157 1.00 43.53 H new ATOM 0 HB2 LEU A 41 9.257 -3.777 -1.907 1.00 25.42 H new ATOM 0 HB3 LEU A 41 9.481 -5.025 -0.697 1.00 25.42 H new ATOM 0 HG LEU A 41 11.558 -2.963 -1.501 1.00 3.33 H new ATOM 0 HD11 LEU A 41 11.139 -2.004 0.738 1.00 75.54 H new ATOM 0 HD12 LEU A 41 9.679 -1.965 -0.279 1.00 75.54 H new ATOM 0 HD13 LEU A 41 9.841 -3.193 0.999 1.00 75.54 H new ATOM 0 HD21 LEU A 41 12.817 -3.794 0.454 1.00 61.04 H new ATOM 0 HD22 LEU A 41 11.585 -5.054 0.704 1.00 61.04 H new ATOM 0 HD23 LEU A 41 12.584 -5.065 -0.769 1.00 61.04 H new ATOM 683 N ARG A 42 9.702 -7.675 -2.469 1.00 5.45 N ATOM 684 CA ARG A 42 8.710 -8.752 -2.588 1.00 73.00 C ATOM 685 C ARG A 42 7.973 -8.946 -1.251 1.00 23.25 C ATOM 686 O ARG A 42 8.525 -8.646 -0.190 1.00 64.44 O ATOM 687 CB ARG A 42 9.400 -10.066 -2.994 1.00 24.04 C ATOM 688 CG ARG A 42 10.166 -9.996 -4.314 1.00 10.23 C ATOM 689 CD ARG A 42 9.248 -9.719 -5.501 1.00 73.02 C ATOM 690 NE ARG A 42 9.971 -9.789 -6.769 1.00 54.52 N ATOM 691 CZ ARG A 42 9.428 -9.616 -7.942 1.00 70.53 C ATOM 692 NH1 ARG A 42 8.167 -9.346 -8.052 1.00 73.13 N ATOM 693 NH2 ARG A 42 10.150 -9.724 -9.008 1.00 14.35 N ATOM 0 H ARG A 42 10.583 -7.968 -2.046 1.00 5.45 H new ATOM 0 HA ARG A 42 7.988 -8.475 -3.356 1.00 73.00 H new ATOM 0 HB2 ARG A 42 10.090 -10.359 -2.203 1.00 24.04 H new ATOM 0 HB3 ARG A 42 8.647 -10.850 -3.067 1.00 24.04 H new ATOM 0 HG2 ARG A 42 10.922 -9.214 -4.252 1.00 10.23 H new ATOM 0 HG3 ARG A 42 10.693 -10.936 -4.476 1.00 10.23 H new ATOM 0 HD2 ARG A 42 8.432 -10.441 -5.507 1.00 73.02 H new ATOM 0 HD3 ARG A 42 8.799 -8.732 -5.392 1.00 73.02 H new ATOM 0 HE ARG A 42 10.971 -9.987 -6.734 1.00 54.52 H new ATOM 0 HH11 ARG A 42 7.588 -9.267 -7.216 1.00 73.13 H new ATOM 0 HH12 ARG A 42 7.753 -9.213 -8.974 1.00 73.13 H new ATOM 0 HH21 ARG A 42 11.143 -9.944 -8.931 1.00 14.35 H new ATOM 0 HH22 ARG A 42 9.727 -9.589 -9.926 1.00 14.35 H new ATOM 707 N LEU A 43 6.740 -9.464 -1.299 1.00 52.24 N ATOM 708 CA LEU A 43 5.953 -9.723 -0.076 1.00 3.10 C ATOM 709 C LEU A 43 6.730 -10.624 0.894 1.00 62.41 C ATOM 710 O LEU A 43 6.644 -10.486 2.113 1.00 54.45 O ATOM 711 CB LEU A 43 4.617 -10.394 -0.429 1.00 0.14 C ATOM 712 CG LEU A 43 3.694 -9.599 -1.365 1.00 70.21 C ATOM 713 CD1 LEU A 43 2.415 -10.387 -1.642 1.00 74.31 C ATOM 714 CD2 LEU A 43 3.365 -8.229 -0.771 1.00 31.30 C ATOM 0 H LEU A 43 6.263 -9.713 -2.165 1.00 52.24 H new ATOM 0 HA LEU A 43 5.762 -8.764 0.405 1.00 3.10 H new ATOM 0 HB2 LEU A 43 4.828 -11.358 -0.891 1.00 0.14 H new ATOM 0 HB3 LEU A 43 4.078 -10.595 0.497 1.00 0.14 H new ATOM 0 HG LEU A 43 4.216 -9.440 -2.309 1.00 70.21 H new ATOM 0 HD11 LEU A 43 1.770 -9.812 -2.307 1.00 74.31 H new ATOM 0 HD12 LEU A 43 2.668 -11.337 -2.114 1.00 74.31 H new ATOM 0 HD13 LEU A 43 1.893 -10.575 -0.704 1.00 74.31 H new ATOM 0 HD21 LEU A 43 2.710 -7.685 -1.452 1.00 31.30 H new ATOM 0 HD22 LEU A 43 2.864 -8.359 0.188 1.00 31.30 H new ATOM 0 HD23 LEU A 43 4.286 -7.665 -0.625 1.00 31.30 H new ATOM 726 N GLU A 44 7.504 -11.532 0.316 1.00 25.50 N ATOM 727 CA GLU A 44 8.327 -12.492 1.061 1.00 11.24 C ATOM 728 C GLU A 44 9.325 -11.800 2.009 1.00 65.43 C ATOM 729 O GLU A 44 9.824 -12.411 2.957 1.00 65.14 O ATOM 730 CB GLU A 44 9.084 -13.358 0.046 1.00 42.20 C ATOM 731 CG GLU A 44 8.158 -14.010 -0.976 1.00 21.12 C ATOM 732 CD GLU A 44 8.887 -14.543 -2.197 1.00 65.42 C ATOM 733 OE1 GLU A 44 9.460 -15.651 -2.131 1.00 2.25 O ATOM 734 OE2 GLU A 44 8.871 -13.856 -3.241 1.00 63.43 O ATOM 0 H GLU A 44 7.583 -11.629 -0.696 1.00 25.50 H new ATOM 0 HA GLU A 44 7.672 -13.100 1.686 1.00 11.24 H new ATOM 0 HB2 GLU A 44 9.818 -12.743 -0.475 1.00 42.20 H new ATOM 0 HB3 GLU A 44 9.637 -14.133 0.576 1.00 42.20 H new ATOM 0 HG2 GLU A 44 7.620 -14.828 -0.498 1.00 21.12 H new ATOM 0 HG3 GLU A 44 7.412 -13.282 -1.296 1.00 21.12 H new ATOM 741 N ASN A 45 9.606 -10.524 1.750 1.00 35.54 N ATOM 742 CA ASN A 45 10.606 -9.772 2.518 1.00 75.41 C ATOM 743 C ASN A 45 9.973 -8.603 3.297 1.00 51.03 C ATOM 744 O ASN A 45 10.685 -7.768 3.859 1.00 33.43 O ATOM 745 CB ASN A 45 11.690 -9.247 1.567 1.00 12.24 C ATOM 746 CG ASN A 45 12.295 -10.356 0.722 1.00 41.41 C ATOM 747 OD1 ASN A 45 12.419 -11.497 1.160 1.00 13.31 O ATOM 748 ND2 ASN A 45 12.662 -10.036 -0.498 1.00 44.20 N ATOM 0 H ASN A 45 9.155 -9.984 1.011 1.00 35.54 H new ATOM 0 HA ASN A 45 11.049 -10.448 3.250 1.00 75.41 H new ATOM 0 HB2 ASN A 45 11.261 -8.487 0.914 1.00 12.24 H new ATOM 0 HB3 ASN A 45 12.476 -8.763 2.146 1.00 12.24 H new ATOM 0 HD21 ASN A 45 13.063 -10.745 -1.112 1.00 44.20 H new ATOM 0 HD22 ASN A 45 12.545 -9.079 -0.831 1.00 44.20 H new ATOM 755 N LEU A 46 8.642 -8.553 3.335 1.00 1.13 N ATOM 756 CA LEU A 46 7.924 -7.484 4.049 1.00 34.04 C ATOM 757 C LEU A 46 7.428 -7.975 5.421 1.00 74.13 C ATOM 758 O LEU A 46 6.903 -9.082 5.537 1.00 21.20 O ATOM 759 CB LEU A 46 6.733 -6.989 3.212 1.00 62.30 C ATOM 760 CG LEU A 46 7.057 -6.599 1.760 1.00 21.00 C ATOM 761 CD1 LEU A 46 5.853 -5.938 1.089 1.00 61.25 C ATOM 762 CD2 LEU A 46 8.287 -5.694 1.695 1.00 52.13 C ATOM 0 H LEU A 46 8.035 -9.236 2.882 1.00 1.13 H new ATOM 0 HA LEU A 46 8.619 -6.659 4.206 1.00 34.04 H new ATOM 0 HB2 LEU A 46 5.972 -7.770 3.198 1.00 62.30 H new ATOM 0 HB3 LEU A 46 6.295 -6.125 3.712 1.00 62.30 H new ATOM 0 HG LEU A 46 7.286 -7.513 1.212 1.00 21.00 H new ATOM 0 HD11 LEU A 46 6.109 -5.672 0.063 1.00 61.25 H new ATOM 0 HD12 LEU A 46 5.012 -6.632 1.085 1.00 61.25 H new ATOM 0 HD13 LEU A 46 5.578 -5.038 1.639 1.00 61.25 H new ATOM 0 HD21 LEU A 46 8.493 -5.434 0.657 1.00 52.13 H new ATOM 0 HD22 LEU A 46 8.100 -4.785 2.267 1.00 52.13 H new ATOM 0 HD23 LEU A 46 9.146 -6.217 2.115 1.00 52.13 H new ATOM 774 N ASN A 47 7.594 -7.149 6.456 1.00 31.23 N ATOM 775 CA ASN A 47 7.171 -7.517 7.814 1.00 52.25 C ATOM 776 C ASN A 47 6.157 -6.506 8.373 1.00 25.14 C ATOM 777 O ASN A 47 6.084 -5.360 7.919 1.00 2.24 O ATOM 778 CB ASN A 47 8.388 -7.571 8.748 1.00 44.51 C ATOM 779 CG ASN A 47 9.530 -8.383 8.170 1.00 5.33 C ATOM 780 OD1 ASN A 47 9.647 -9.582 8.404 1.00 50.13 O ATOM 781 ND2 ASN A 47 10.382 -7.732 7.405 1.00 1.31 N ATOM 0 H ASN A 47 8.016 -6.223 6.383 1.00 31.23 H new ATOM 0 HA ASN A 47 6.698 -8.498 7.760 1.00 52.25 H new ATOM 0 HB2 ASN A 47 8.733 -6.557 8.948 1.00 44.51 H new ATOM 0 HB3 ASN A 47 8.089 -8.001 9.704 1.00 44.51 H new ATOM 0 HD21 ASN A 47 11.170 -8.225 6.985 1.00 1.31 H new ATOM 0 HD22 ASN A 47 10.253 -6.735 7.232 1.00 1.31 H new ATOM 788 N VAL A 48 5.381 -6.930 9.364 1.00 63.51 N ATOM 789 CA VAL A 48 4.450 -6.031 10.051 1.00 33.14 C ATOM 790 C VAL A 48 5.211 -4.932 10.816 1.00 33.14 C ATOM 791 O VAL A 48 6.083 -5.222 11.638 1.00 73.41 O ATOM 792 CB VAL A 48 3.539 -6.810 11.037 1.00 33.25 C ATOM 793 CG1 VAL A 48 2.628 -5.860 11.813 1.00 13.24 C ATOM 794 CG2 VAL A 48 2.717 -7.862 10.293 1.00 70.54 C ATOM 0 H VAL A 48 5.375 -7.889 9.712 1.00 63.51 H new ATOM 0 HA VAL A 48 3.825 -5.568 9.287 1.00 33.14 H new ATOM 0 HB VAL A 48 4.180 -7.320 11.756 1.00 33.25 H new ATOM 0 HG11 VAL A 48 2.001 -6.434 12.496 1.00 13.24 H new ATOM 0 HG12 VAL A 48 3.236 -5.157 12.382 1.00 13.24 H new ATOM 0 HG13 VAL A 48 1.996 -5.311 11.115 1.00 13.24 H new ATOM 0 HG21 VAL A 48 2.085 -8.398 11.001 1.00 70.54 H new ATOM 0 HG22 VAL A 48 2.092 -7.373 9.546 1.00 70.54 H new ATOM 0 HG23 VAL A 48 3.388 -8.566 9.801 1.00 70.54 H new ATOM 804 N GLY A 49 4.887 -3.673 10.531 1.00 13.11 N ATOM 805 CA GLY A 49 5.536 -2.559 11.214 1.00 25.24 C ATOM 806 C GLY A 49 6.588 -1.838 10.371 1.00 32.04 C ATOM 807 O GLY A 49 7.158 -0.837 10.813 1.00 22.01 O ATOM 0 H GLY A 49 4.187 -3.401 9.840 1.00 13.11 H new ATOM 0 HA2 GLY A 49 4.775 -1.840 11.519 1.00 25.24 H new ATOM 0 HA3 GLY A 49 6.007 -2.930 12.124 1.00 25.24 H new ATOM 811 N ASP A 50 6.863 -2.338 9.163 1.00 61.31 N ATOM 812 CA ASP A 50 7.826 -1.680 8.265 1.00 54.22 C ATOM 813 C ASP A 50 7.195 -0.483 7.530 1.00 70.44 C ATOM 814 O ASP A 50 6.064 -0.562 7.046 1.00 21.20 O ATOM 815 CB ASP A 50 8.394 -2.674 7.238 1.00 15.14 C ATOM 816 CG ASP A 50 9.225 -3.777 7.871 1.00 11.24 C ATOM 817 OD1 ASP A 50 9.832 -3.537 8.936 1.00 25.03 O ATOM 818 OD2 ASP A 50 9.312 -4.874 7.282 1.00 32.11 O ATOM 0 H ASP A 50 6.440 -3.186 8.784 1.00 61.31 H new ATOM 0 HA ASP A 50 8.638 -1.310 8.891 1.00 54.22 H new ATOM 0 HB2 ASP A 50 7.571 -3.122 6.681 1.00 15.14 H new ATOM 0 HB3 ASP A 50 9.008 -2.132 6.518 1.00 15.14 H new ATOM 823 N GLU A 51 7.939 0.624 7.457 1.00 2.21 N ATOM 824 CA GLU A 51 7.501 1.813 6.712 1.00 32.34 C ATOM 825 C GLU A 51 7.926 1.720 5.240 1.00 24.43 C ATOM 826 O GLU A 51 9.118 1.782 4.924 1.00 14.31 O ATOM 827 CB GLU A 51 8.093 3.088 7.327 1.00 2.24 C ATOM 828 CG GLU A 51 7.681 3.343 8.770 1.00 41.23 C ATOM 829 CD GLU A 51 8.388 4.551 9.362 1.00 43.12 C ATOM 830 OE1 GLU A 51 9.544 4.398 9.819 1.00 60.10 O ATOM 831 OE2 GLU A 51 7.804 5.656 9.362 1.00 21.11 O ATOM 0 H GLU A 51 8.850 0.724 7.905 1.00 2.21 H new ATOM 0 HA GLU A 51 6.413 1.857 6.770 1.00 32.34 H new ATOM 0 HB2 GLU A 51 9.180 3.029 7.278 1.00 2.24 H new ATOM 0 HB3 GLU A 51 7.793 3.942 6.720 1.00 2.24 H new ATOM 0 HG2 GLU A 51 6.603 3.496 8.817 1.00 41.23 H new ATOM 0 HG3 GLU A 51 7.905 2.462 9.371 1.00 41.23 H new ATOM 838 N ILE A 52 6.955 1.563 4.347 1.00 10.11 N ATOM 839 CA ILE A 52 7.232 1.475 2.907 1.00 61.51 C ATOM 840 C ILE A 52 6.709 2.715 2.153 1.00 33.15 C ATOM 841 O ILE A 52 5.602 3.194 2.409 1.00 61.33 O ATOM 842 CB ILE A 52 6.609 0.190 2.292 1.00 74.44 C ATOM 843 CG1 ILE A 52 7.188 -1.062 2.979 1.00 4.33 C ATOM 844 CG2 ILE A 52 6.845 0.133 0.779 1.00 0.42 C ATOM 845 CD1 ILE A 52 6.684 -2.371 2.402 1.00 41.24 C ATOM 0 H ILE A 52 5.967 1.493 4.589 1.00 10.11 H new ATOM 0 HA ILE A 52 8.315 1.431 2.795 1.00 61.51 H new ATOM 0 HB ILE A 52 5.533 0.217 2.461 1.00 74.44 H new ATOM 0 HG12 ILE A 52 8.275 -1.037 2.901 1.00 4.33 H new ATOM 0 HG13 ILE A 52 6.944 -1.027 4.041 1.00 4.33 H new ATOM 0 HG21 ILE A 52 6.399 -0.776 0.375 1.00 0.42 H new ATOM 0 HG22 ILE A 52 6.388 1.002 0.306 1.00 0.42 H new ATOM 0 HG23 ILE A 52 7.916 0.132 0.578 1.00 0.42 H new ATOM 0 HD11 ILE A 52 7.138 -3.204 2.939 1.00 41.24 H new ATOM 0 HD12 ILE A 52 5.600 -2.420 2.505 1.00 41.24 H new ATOM 0 HD13 ILE A 52 6.952 -2.431 1.347 1.00 41.24 H new ATOM 857 N ILE A 53 7.521 3.236 1.231 1.00 43.53 N ATOM 858 CA ILE A 53 7.133 4.392 0.412 1.00 13.42 C ATOM 859 C ILE A 53 6.344 3.943 -0.829 1.00 74.33 C ATOM 860 O ILE A 53 6.890 3.294 -1.725 1.00 71.23 O ATOM 861 CB ILE A 53 8.376 5.203 -0.036 1.00 34.52 C ATOM 862 CG1 ILE A 53 9.226 5.595 1.186 1.00 2.11 C ATOM 863 CG2 ILE A 53 7.955 6.444 -0.824 1.00 65.11 C ATOM 864 CD1 ILE A 53 10.497 6.344 0.839 1.00 0.35 C ATOM 0 H ILE A 53 8.454 2.876 1.031 1.00 43.53 H new ATOM 0 HA ILE A 53 6.499 5.029 1.029 1.00 13.42 H new ATOM 0 HB ILE A 53 8.982 4.576 -0.691 1.00 34.52 H new ATOM 0 HG12 ILE A 53 8.623 6.212 1.852 1.00 2.11 H new ATOM 0 HG13 ILE A 53 9.488 4.692 1.738 1.00 2.11 H new ATOM 0 HG21 ILE A 53 8.842 6.999 -1.129 1.00 65.11 H new ATOM 0 HG22 ILE A 53 7.395 6.141 -1.708 1.00 65.11 H new ATOM 0 HG23 ILE A 53 7.328 7.078 -0.197 1.00 65.11 H new ATOM 0 HD11 ILE A 53 11.039 6.584 1.754 1.00 0.35 H new ATOM 0 HD12 ILE A 53 11.123 5.722 0.199 1.00 0.35 H new ATOM 0 HD13 ILE A 53 10.245 7.266 0.315 1.00 0.35 H new ATOM 876 N VAL A 54 5.061 4.292 -0.879 1.00 2.32 N ATOM 877 CA VAL A 54 4.177 3.832 -1.956 1.00 61.41 C ATOM 878 C VAL A 54 3.383 4.982 -2.595 1.00 11.40 C ATOM 879 O VAL A 54 3.007 5.950 -1.932 1.00 10.31 O ATOM 880 CB VAL A 54 3.178 2.756 -1.449 1.00 54.22 C ATOM 881 CG1 VAL A 54 3.912 1.479 -1.037 1.00 40.33 C ATOM 882 CG2 VAL A 54 2.338 3.293 -0.291 1.00 71.43 C ATOM 0 H VAL A 54 4.607 4.891 -0.189 1.00 2.32 H new ATOM 0 HA VAL A 54 4.831 3.399 -2.713 1.00 61.41 H new ATOM 0 HB VAL A 54 2.506 2.511 -2.271 1.00 54.22 H new ATOM 0 HG11 VAL A 54 3.190 0.742 -0.686 1.00 40.33 H new ATOM 0 HG12 VAL A 54 4.453 1.078 -1.894 1.00 40.33 H new ATOM 0 HG13 VAL A 54 4.617 1.706 -0.237 1.00 40.33 H new ATOM 0 HG21 VAL A 54 1.647 2.521 0.046 1.00 71.43 H new ATOM 0 HG22 VAL A 54 2.993 3.578 0.532 1.00 71.43 H new ATOM 0 HG23 VAL A 54 1.774 4.164 -0.624 1.00 71.43 H new ATOM 892 N GLN A 55 3.142 4.866 -3.896 1.00 44.24 N ATOM 893 CA GLN A 55 2.280 5.805 -4.616 1.00 53.10 C ATOM 894 C GLN A 55 0.885 5.197 -4.816 1.00 2.12 C ATOM 895 O GLN A 55 0.756 4.065 -5.291 1.00 13.35 O ATOM 896 CB GLN A 55 2.888 6.166 -5.980 1.00 43.42 C ATOM 897 CG GLN A 55 2.053 7.164 -6.783 1.00 13.44 C ATOM 898 CD GLN A 55 2.599 7.417 -8.180 1.00 73.34 C ATOM 899 OE1 GLN A 55 3.207 6.547 -8.791 1.00 71.22 O ATOM 900 NE2 GLN A 55 2.388 8.612 -8.698 1.00 13.32 N ATOM 0 H GLN A 55 3.533 4.127 -4.480 1.00 44.24 H new ATOM 0 HA GLN A 55 2.194 6.714 -4.020 1.00 53.10 H new ATOM 0 HB2 GLN A 55 3.884 6.581 -5.825 1.00 43.42 H new ATOM 0 HB3 GLN A 55 3.010 5.255 -6.565 1.00 43.42 H new ATOM 0 HG2 GLN A 55 1.031 6.792 -6.861 1.00 13.44 H new ATOM 0 HG3 GLN A 55 2.008 8.109 -6.241 1.00 13.44 H new ATOM 0 HE21 GLN A 55 1.878 9.316 -8.165 1.00 13.32 H new ATOM 0 HE22 GLN A 55 2.735 8.832 -9.632 1.00 13.32 H new ATOM 909 N ALA A 56 -0.150 5.943 -4.452 1.00 72.41 N ATOM 910 CA ALA A 56 -1.531 5.475 -4.614 1.00 14.42 C ATOM 911 C ALA A 56 -1.987 5.572 -6.077 1.00 25.25 C ATOM 912 O ALA A 56 -2.282 6.659 -6.568 1.00 64.43 O ATOM 913 CB ALA A 56 -2.466 6.269 -3.712 1.00 73.43 C ATOM 0 H ALA A 56 -0.066 6.874 -4.043 1.00 72.41 H new ATOM 0 HA ALA A 56 -1.566 4.425 -4.324 1.00 14.42 H new ATOM 0 HB1 ALA A 56 -3.487 5.912 -3.842 1.00 73.43 H new ATOM 0 HB2 ALA A 56 -2.166 6.139 -2.672 1.00 73.43 H new ATOM 0 HB3 ALA A 56 -2.415 7.326 -3.975 1.00 73.43 H new ATOM 919 N ILE A 57 -2.028 4.433 -6.769 1.00 14.11 N ATOM 920 CA ILE A 57 -2.430 4.385 -8.182 1.00 13.23 C ATOM 921 C ILE A 57 -3.852 4.933 -8.375 1.00 21.15 C ATOM 922 O ILE A 57 -4.071 5.883 -9.131 1.00 40.12 O ATOM 923 CB ILE A 57 -2.373 2.936 -8.731 1.00 2.42 C ATOM 924 CG1 ILE A 57 -1.010 2.293 -8.419 1.00 15.11 C ATOM 925 CG2 ILE A 57 -2.647 2.921 -10.237 1.00 15.34 C ATOM 926 CD1 ILE A 57 -0.914 0.837 -8.826 1.00 22.41 C ATOM 0 H ILE A 57 -1.787 3.524 -6.374 1.00 14.11 H new ATOM 0 HA ILE A 57 -1.726 5.009 -8.733 1.00 13.23 H new ATOM 0 HB ILE A 57 -3.148 2.350 -8.237 1.00 2.42 H new ATOM 0 HG12 ILE A 57 -0.228 2.856 -8.929 1.00 15.11 H new ATOM 0 HG13 ILE A 57 -0.816 2.375 -7.350 1.00 15.11 H new ATOM 0 HG21 ILE A 57 -2.603 1.896 -10.605 1.00 15.34 H new ATOM 0 HG22 ILE A 57 -3.637 3.334 -10.431 1.00 15.34 H new ATOM 0 HG23 ILE A 57 -1.896 3.523 -10.749 1.00 15.34 H new ATOM 0 HD11 ILE A 57 0.075 0.453 -8.575 1.00 22.41 H new ATOM 0 HD12 ILE A 57 -1.672 0.260 -8.296 1.00 22.41 H new ATOM 0 HD13 ILE A 57 -1.075 0.748 -9.900 1.00 22.41 H new ATOM 938 N ASP A 58 -4.815 4.318 -7.691 1.00 4.10 N ATOM 939 CA ASP A 58 -6.213 4.760 -7.725 1.00 42.23 C ATOM 940 C ASP A 58 -6.868 4.649 -6.341 1.00 61.43 C ATOM 941 O ASP A 58 -6.459 3.841 -5.504 1.00 1.31 O ATOM 942 CB ASP A 58 -7.020 3.945 -8.747 1.00 62.24 C ATOM 943 CG ASP A 58 -6.643 4.267 -10.182 1.00 71.42 C ATOM 944 OD1 ASP A 58 -7.070 5.329 -10.686 1.00 4.43 O ATOM 945 OD2 ASP A 58 -5.928 3.465 -10.811 1.00 74.43 O ATOM 0 H ASP A 58 -4.652 3.503 -7.100 1.00 4.10 H new ATOM 0 HA ASP A 58 -6.214 5.808 -8.026 1.00 42.23 H new ATOM 0 HB2 ASP A 58 -6.862 2.882 -8.564 1.00 62.24 H new ATOM 0 HB3 ASP A 58 -8.083 4.139 -8.603 1.00 62.24 H new ATOM 950 N VAL A 59 -7.887 5.470 -6.111 1.00 25.03 N ATOM 951 CA VAL A 59 -8.649 5.442 -4.858 1.00 54.34 C ATOM 952 C VAL A 59 -10.094 5.003 -5.128 1.00 44.33 C ATOM 953 O VAL A 59 -10.826 5.678 -5.856 1.00 12.34 O ATOM 954 CB VAL A 59 -8.649 6.832 -4.169 1.00 1.50 C ATOM 955 CG1 VAL A 59 -9.438 6.794 -2.859 1.00 42.33 C ATOM 956 CG2 VAL A 59 -7.216 7.313 -3.933 1.00 73.31 C ATOM 0 H VAL A 59 -8.210 6.170 -6.779 1.00 25.03 H new ATOM 0 HA VAL A 59 -8.168 4.726 -4.191 1.00 54.34 H new ATOM 0 HB VAL A 59 -9.142 7.542 -4.833 1.00 1.50 H new ATOM 0 HG11 VAL A 59 -9.422 7.781 -2.396 1.00 42.33 H new ATOM 0 HG12 VAL A 59 -10.469 6.505 -3.063 1.00 42.33 H new ATOM 0 HG13 VAL A 59 -8.986 6.069 -2.183 1.00 42.33 H new ATOM 0 HG21 VAL A 59 -7.235 8.289 -3.449 1.00 73.31 H new ATOM 0 HG22 VAL A 59 -6.694 6.601 -3.294 1.00 73.31 H new ATOM 0 HG23 VAL A 59 -6.697 7.392 -4.888 1.00 73.31 H new ATOM 966 N ARG A 60 -10.501 3.872 -4.554 1.00 34.04 N ATOM 967 CA ARG A 60 -11.838 3.315 -4.804 1.00 31.43 C ATOM 968 C ARG A 60 -12.732 3.438 -3.552 1.00 35.12 C ATOM 969 O ARG A 60 -12.678 2.584 -2.665 1.00 43.42 O ATOM 970 CB ARG A 60 -11.713 1.834 -5.202 1.00 15.44 C ATOM 971 CG ARG A 60 -10.663 1.572 -6.282 1.00 34.22 C ATOM 972 CD ARG A 60 -10.515 0.083 -6.583 1.00 40.45 C ATOM 973 NE ARG A 60 -9.265 -0.223 -7.279 1.00 43.44 N ATOM 974 CZ ARG A 60 -9.163 -1.012 -8.315 1.00 51.10 C ATOM 975 NH1 ARG A 60 -10.217 -1.500 -8.890 1.00 72.54 N ATOM 976 NH2 ARG A 60 -7.997 -1.295 -8.791 1.00 4.34 N ATOM 0 H ARG A 60 -9.929 3.321 -3.914 1.00 34.04 H new ATOM 0 HA ARG A 60 -12.299 3.880 -5.614 1.00 31.43 H new ATOM 0 HB2 ARG A 60 -11.464 1.249 -4.317 1.00 15.44 H new ATOM 0 HB3 ARG A 60 -12.681 1.480 -5.556 1.00 15.44 H new ATOM 0 HG2 ARG A 60 -10.940 2.101 -7.194 1.00 34.22 H new ATOM 0 HG3 ARG A 60 -9.703 1.974 -5.960 1.00 34.22 H new ATOM 0 HD2 ARG A 60 -10.556 -0.479 -5.650 1.00 40.45 H new ATOM 0 HD3 ARG A 60 -11.357 -0.248 -7.191 1.00 40.45 H new ATOM 0 HE ARG A 60 -8.411 0.212 -6.930 1.00 43.44 H new ATOM 0 HH11 ARG A 60 -11.145 -1.269 -8.534 1.00 72.54 H new ATOM 0 HH12 ARG A 60 -10.119 -2.115 -9.698 1.00 72.54 H new ATOM 0 HH21 ARG A 60 -7.161 -0.903 -8.358 1.00 4.34 H new ATOM 0 HH22 ARG A 60 -7.912 -1.911 -9.600 1.00 4.34 H new ATOM 990 N PRO A 61 -13.578 4.490 -3.466 1.00 61.13 N ATOM 991 CA PRO A 61 -14.459 4.714 -2.300 1.00 32.52 C ATOM 992 C PRO A 61 -15.523 3.614 -2.144 1.00 50.15 C ATOM 993 O PRO A 61 -15.733 3.081 -1.053 1.00 34.31 O ATOM 994 CB PRO A 61 -15.121 6.073 -2.601 1.00 11.44 C ATOM 995 CG PRO A 61 -14.276 6.693 -3.669 1.00 3.40 C ATOM 996 CD PRO A 61 -13.737 5.548 -4.477 1.00 14.54 C ATOM 0 HA PRO A 61 -13.902 4.698 -1.363 1.00 32.52 H new ATOM 0 HB2 PRO A 61 -16.150 5.944 -2.938 1.00 11.44 H new ATOM 0 HB3 PRO A 61 -15.154 6.701 -1.711 1.00 11.44 H new ATOM 0 HG2 PRO A 61 -14.864 7.368 -4.291 1.00 3.40 H new ATOM 0 HG3 PRO A 61 -13.467 7.281 -3.236 1.00 3.40 H new ATOM 0 HD2 PRO A 61 -14.424 5.252 -5.269 1.00 14.54 H new ATOM 0 HD3 PRO A 61 -12.790 5.799 -4.954 1.00 14.54 H new ATOM 1004 N GLU A 62 -16.178 3.279 -3.254 1.00 60.53 N ATOM 1005 CA GLU A 62 -17.199 2.220 -3.294 1.00 42.12 C ATOM 1006 C GLU A 62 -16.674 0.884 -2.728 1.00 14.24 C ATOM 1007 O GLU A 62 -17.404 0.144 -2.070 1.00 34.51 O ATOM 1008 CB GLU A 62 -17.650 2.015 -4.746 1.00 55.12 C ATOM 1009 CG GLU A 62 -16.496 1.671 -5.681 1.00 62.33 C ATOM 1010 CD GLU A 62 -16.935 1.451 -7.116 1.00 71.42 C ATOM 1011 OE1 GLU A 62 -17.450 0.358 -7.417 1.00 30.20 O ATOM 1012 OE2 GLU A 62 -16.756 2.368 -7.944 1.00 74.32 O ATOM 0 H GLU A 62 -16.020 3.731 -4.154 1.00 60.53 H new ATOM 0 HA GLU A 62 -18.035 2.536 -2.670 1.00 42.12 H new ATOM 0 HB2 GLU A 62 -18.391 1.216 -4.782 1.00 55.12 H new ATOM 0 HB3 GLU A 62 -18.141 2.921 -5.100 1.00 55.12 H new ATOM 0 HG2 GLU A 62 -15.761 2.476 -5.652 1.00 62.33 H new ATOM 0 HG3 GLU A 62 -15.999 0.772 -5.318 1.00 62.33 H new ATOM 1019 N LYS A 63 -15.407 0.577 -3.007 1.00 43.52 N ATOM 1020 CA LYS A 63 -14.785 -0.668 -2.536 1.00 51.25 C ATOM 1021 C LYS A 63 -13.984 -0.442 -1.243 1.00 30.34 C ATOM 1022 O LYS A 63 -13.567 -1.398 -0.586 1.00 32.41 O ATOM 1023 CB LYS A 63 -13.853 -1.235 -3.621 1.00 64.12 C ATOM 1024 CG LYS A 63 -14.532 -1.599 -4.947 1.00 23.24 C ATOM 1025 CD LYS A 63 -15.491 -2.791 -4.821 1.00 35.10 C ATOM 1026 CE LYS A 63 -16.915 -2.374 -4.462 1.00 0.40 C ATOM 1027 NZ LYS A 63 -17.586 -1.646 -5.575 1.00 14.14 N ATOM 0 H LYS A 63 -14.788 1.172 -3.557 1.00 43.52 H new ATOM 0 HA LYS A 63 -15.584 -1.379 -2.326 1.00 51.25 H new ATOM 0 HB2 LYS A 63 -13.070 -0.504 -3.822 1.00 64.12 H new ATOM 0 HB3 LYS A 63 -13.364 -2.125 -3.227 1.00 64.12 H new ATOM 0 HG2 LYS A 63 -15.083 -0.734 -5.317 1.00 23.24 H new ATOM 0 HG3 LYS A 63 -13.768 -1.831 -5.689 1.00 23.24 H new ATOM 0 HD2 LYS A 63 -15.505 -3.340 -5.762 1.00 35.10 H new ATOM 0 HD3 LYS A 63 -15.115 -3.474 -4.059 1.00 35.10 H new ATOM 0 HE2 LYS A 63 -17.497 -3.259 -4.206 1.00 0.40 H new ATOM 0 HE3 LYS A 63 -16.893 -1.739 -3.576 1.00 0.40 H new ATOM 0 HZ1 LYS A 63 -18.375 -1.084 -5.196 1.00 14.14 H new ATOM 0 HZ2 LYS A 63 -16.902 -1.014 -6.039 1.00 14.14 H new ATOM 0 HZ3 LYS A 63 -17.950 -2.331 -6.268 1.00 14.14 H new ATOM 1041 N ARG A 64 -13.775 0.831 -0.892 1.00 70.25 N ATOM 1042 CA ARG A 64 -12.945 1.220 0.262 1.00 10.34 C ATOM 1043 C ARG A 64 -11.478 0.790 0.074 1.00 43.23 C ATOM 1044 O ARG A 64 -10.698 0.758 1.028 1.00 22.23 O ATOM 1045 CB ARG A 64 -13.509 0.626 1.562 1.00 44.11 C ATOM 1046 CG ARG A 64 -14.980 0.950 1.805 1.00 4.44 C ATOM 1047 CD ARG A 64 -15.465 0.372 3.127 1.00 73.14 C ATOM 1048 NE ARG A 64 -16.898 0.575 3.328 1.00 31.44 N ATOM 1049 CZ ARG A 64 -17.407 1.344 4.247 1.00 1.34 C ATOM 1050 NH1 ARG A 64 -16.642 2.050 5.013 1.00 52.14 N ATOM 1051 NH2 ARG A 64 -18.687 1.418 4.385 1.00 14.24 N ATOM 0 H ARG A 64 -14.174 1.623 -1.396 1.00 70.25 H new ATOM 0 HA ARG A 64 -12.971 2.308 0.331 1.00 10.34 H new ATOM 0 HB2 ARG A 64 -13.385 -0.457 1.538 1.00 44.11 H new ATOM 0 HB3 ARG A 64 -12.922 0.996 2.403 1.00 44.11 H new ATOM 0 HG2 ARG A 64 -15.121 2.031 1.805 1.00 4.44 H new ATOM 0 HG3 ARG A 64 -15.582 0.550 0.989 1.00 4.44 H new ATOM 0 HD2 ARG A 64 -15.244 -0.695 3.158 1.00 73.14 H new ATOM 0 HD3 ARG A 64 -14.916 0.835 3.947 1.00 73.14 H new ATOM 0 HE ARG A 64 -17.541 0.082 2.708 1.00 31.44 H new ATOM 0 HH11 ARG A 64 -15.629 2.008 4.901 1.00 52.14 H new ATOM 0 HH12 ARG A 64 -17.051 2.649 5.730 1.00 52.14 H new ATOM 0 HH21 ARG A 64 -19.298 0.875 3.775 1.00 14.24 H new ATOM 0 HH22 ARG A 64 -19.088 2.020 5.104 1.00 14.24 H new ATOM 1065 N GLU A 65 -11.103 0.488 -1.167 1.00 12.50 N ATOM 1066 CA GLU A 65 -9.758 -0.009 -1.481 1.00 64.23 C ATOM 1067 C GLU A 65 -8.924 1.035 -2.235 1.00 1.31 C ATOM 1068 O GLU A 65 -9.390 1.642 -3.199 1.00 33.34 O ATOM 1069 CB GLU A 65 -9.853 -1.287 -2.327 1.00 25.13 C ATOM 1070 CG GLU A 65 -10.553 -2.447 -1.629 1.00 44.43 C ATOM 1071 CD GLU A 65 -10.666 -3.679 -2.516 1.00 71.44 C ATOM 1072 OE1 GLU A 65 -9.688 -4.450 -2.601 1.00 41.14 O ATOM 1073 OE2 GLU A 65 -11.728 -3.878 -3.139 1.00 1.41 O ATOM 0 H GLU A 65 -11.714 0.578 -1.979 1.00 12.50 H new ATOM 0 HA GLU A 65 -9.261 -0.222 -0.534 1.00 64.23 H new ATOM 0 HB2 GLU A 65 -10.385 -1.059 -3.251 1.00 25.13 H new ATOM 0 HB3 GLU A 65 -8.847 -1.600 -2.607 1.00 25.13 H new ATOM 0 HG2 GLU A 65 -10.005 -2.705 -0.723 1.00 44.43 H new ATOM 0 HG3 GLU A 65 -11.550 -2.133 -1.321 1.00 44.43 H new ATOM 1080 N ILE A 66 -7.690 1.237 -1.789 1.00 25.05 N ATOM 1081 CA ILE A 66 -6.742 2.107 -2.490 1.00 43.11 C ATOM 1082 C ILE A 66 -5.586 1.274 -3.067 1.00 24.41 C ATOM 1083 O ILE A 66 -5.011 0.437 -2.372 1.00 10.33 O ATOM 1084 CB ILE A 66 -6.173 3.200 -1.548 1.00 32.24 C ATOM 1085 CG1 ILE A 66 -7.318 4.016 -0.924 1.00 71.04 C ATOM 1086 CG2 ILE A 66 -5.212 4.119 -2.305 1.00 14.22 C ATOM 1087 CD1 ILE A 66 -6.856 5.102 0.024 1.00 51.21 C ATOM 0 H ILE A 66 -7.317 0.810 -0.941 1.00 25.05 H new ATOM 0 HA ILE A 66 -7.280 2.599 -3.300 1.00 43.11 H new ATOM 0 HB ILE A 66 -5.618 2.710 -0.748 1.00 32.24 H new ATOM 0 HG12 ILE A 66 -7.903 4.471 -1.723 1.00 71.04 H new ATOM 0 HG13 ILE A 66 -7.983 3.339 -0.388 1.00 71.04 H new ATOM 0 HG21 ILE A 66 -4.824 4.878 -1.626 1.00 14.22 H new ATOM 0 HG22 ILE A 66 -4.385 3.532 -2.703 1.00 14.22 H new ATOM 0 HG23 ILE A 66 -5.742 4.602 -3.126 1.00 14.22 H new ATOM 0 HD11 ILE A 66 -7.722 5.631 0.421 1.00 51.21 H new ATOM 0 HD12 ILE A 66 -6.296 4.654 0.845 1.00 51.21 H new ATOM 0 HD13 ILE A 66 -6.216 5.804 -0.511 1.00 51.21 H new ATOM 1099 N ASP A 67 -5.246 1.509 -4.331 1.00 13.44 N ATOM 1100 CA ASP A 67 -4.184 0.754 -5.000 1.00 41.24 C ATOM 1101 C ASP A 67 -2.806 1.361 -4.699 1.00 14.20 C ATOM 1102 O ASP A 67 -2.581 2.549 -4.933 1.00 51.11 O ATOM 1103 CB ASP A 67 -4.417 0.754 -6.515 1.00 10.42 C ATOM 1104 CG ASP A 67 -5.757 0.157 -6.905 1.00 60.11 C ATOM 1105 OD1 ASP A 67 -5.927 -1.068 -6.776 1.00 74.50 O ATOM 1106 OD2 ASP A 67 -6.639 0.907 -7.366 1.00 5.44 O ATOM 0 H ASP A 67 -5.690 2.217 -4.916 1.00 13.44 H new ATOM 0 HA ASP A 67 -4.207 -0.269 -4.623 1.00 41.24 H new ATOM 0 HB2 ASP A 67 -4.358 1.777 -6.887 1.00 10.42 H new ATOM 0 HB3 ASP A 67 -3.619 0.192 -7.001 1.00 10.42 H new ATOM 1111 N PHE A 68 -1.885 0.549 -4.181 1.00 40.23 N ATOM 1112 CA PHE A 68 -0.528 1.022 -3.880 1.00 43.24 C ATOM 1113 C PHE A 68 0.515 0.445 -4.848 1.00 75.34 C ATOM 1114 O PHE A 68 0.456 -0.721 -5.237 1.00 73.25 O ATOM 1115 CB PHE A 68 -0.130 0.680 -2.434 1.00 15.11 C ATOM 1116 CG PHE A 68 -0.859 1.473 -1.380 1.00 4.33 C ATOM 1117 CD1 PHE A 68 -1.402 2.717 -1.672 1.00 50.31 C ATOM 1118 CD2 PHE A 68 -0.985 0.981 -0.089 1.00 71.35 C ATOM 1119 CE1 PHE A 68 -2.054 3.449 -0.701 1.00 70.43 C ATOM 1120 CE2 PHE A 68 -1.638 1.711 0.884 1.00 42.40 C ATOM 1121 CZ PHE A 68 -2.174 2.945 0.577 1.00 10.21 C ATOM 0 H PHE A 68 -2.049 -0.433 -3.961 1.00 40.23 H new ATOM 0 HA PHE A 68 -0.544 2.105 -4.003 1.00 43.24 H new ATOM 0 HB2 PHE A 68 -0.311 -0.381 -2.262 1.00 15.11 H new ATOM 0 HB3 PHE A 68 0.941 0.843 -2.317 1.00 15.11 H new ATOM 0 HD1 PHE A 68 -1.313 3.117 -2.671 1.00 50.31 H new ATOM 0 HD2 PHE A 68 -0.568 0.016 0.158 1.00 71.35 H new ATOM 0 HE1 PHE A 68 -2.470 4.416 -0.942 1.00 70.43 H new ATOM 0 HE2 PHE A 68 -1.729 1.316 1.885 1.00 42.40 H new ATOM 0 HZ PHE A 68 -2.687 3.516 1.337 1.00 10.21 H new ATOM 1131 N LYS A 69 1.468 1.292 -5.223 1.00 23.40 N ATOM 1132 CA LYS A 69 2.603 0.902 -6.064 1.00 74.23 C ATOM 1133 C LYS A 69 3.916 1.292 -5.374 1.00 41.34 C ATOM 1134 O LYS A 69 3.981 2.313 -4.691 1.00 61.21 O ATOM 1135 CB LYS A 69 2.505 1.604 -7.428 1.00 74.24 C ATOM 1136 CG LYS A 69 3.635 1.262 -8.399 1.00 54.13 C ATOM 1137 CD LYS A 69 3.615 2.169 -9.626 1.00 41.33 C ATOM 1138 CE LYS A 69 3.849 3.630 -9.247 1.00 40.31 C ATOM 1139 NZ LYS A 69 3.786 4.534 -10.425 1.00 61.22 N ATOM 0 H LYS A 69 1.478 2.275 -4.952 1.00 23.40 H new ATOM 0 HA LYS A 69 2.583 -0.177 -6.215 1.00 74.23 H new ATOM 0 HB2 LYS A 69 1.554 1.341 -7.890 1.00 74.24 H new ATOM 0 HB3 LYS A 69 2.494 2.682 -7.268 1.00 74.24 H new ATOM 0 HG2 LYS A 69 4.594 1.358 -7.890 1.00 54.13 H new ATOM 0 HG3 LYS A 69 3.544 0.222 -8.713 1.00 54.13 H new ATOM 0 HD2 LYS A 69 4.383 1.847 -10.330 1.00 41.33 H new ATOM 0 HD3 LYS A 69 2.656 2.073 -10.135 1.00 41.33 H new ATOM 0 HE2 LYS A 69 3.102 3.938 -8.515 1.00 40.31 H new ATOM 0 HE3 LYS A 69 4.823 3.728 -8.768 1.00 40.31 H new ATOM 0 HZ1 LYS A 69 3.494 5.484 -10.118 1.00 61.22 H new ATOM 0 HZ2 LYS A 69 4.723 4.588 -10.872 1.00 61.22 H new ATOM 0 HZ3 LYS A 69 3.096 4.164 -11.110 1.00 61.22 H new ATOM 1153 N TYR A 70 4.966 0.504 -5.561 1.00 63.04 N ATOM 1154 CA TYR A 70 6.254 0.806 -4.934 1.00 24.03 C ATOM 1155 C TYR A 70 7.081 1.744 -5.821 1.00 32.11 C ATOM 1156 O TYR A 70 7.203 1.529 -7.025 1.00 61.41 O ATOM 1157 CB TYR A 70 7.040 -0.485 -4.661 1.00 65.41 C ATOM 1158 CG TYR A 70 8.368 -0.254 -3.954 1.00 33.02 C ATOM 1159 CD1 TYR A 70 8.442 -0.226 -2.564 1.00 33.14 C ATOM 1160 CD2 TYR A 70 9.544 -0.063 -4.674 1.00 54.44 C ATOM 1161 CE1 TYR A 70 9.643 -0.010 -1.919 1.00 34.22 C ATOM 1162 CE2 TYR A 70 10.750 0.153 -4.033 1.00 53.21 C ATOM 1163 CZ TYR A 70 10.794 0.179 -2.654 1.00 54.32 C ATOM 1164 OH TYR A 70 11.992 0.388 -2.008 1.00 11.42 O ATOM 0 H TYR A 70 4.957 -0.340 -6.134 1.00 63.04 H new ATOM 0 HA TYR A 70 6.058 1.304 -3.985 1.00 24.03 H new ATOM 0 HB2 TYR A 70 6.427 -1.152 -4.055 1.00 65.41 H new ATOM 0 HB3 TYR A 70 7.226 -0.994 -5.607 1.00 65.41 H new ATOM 0 HD1 TYR A 70 7.545 -0.376 -1.981 1.00 33.14 H new ATOM 0 HD2 TYR A 70 9.514 -0.084 -5.753 1.00 54.44 H new ATOM 0 HE1 TYR A 70 9.681 0.011 -0.840 1.00 34.22 H new ATOM 0 HE2 TYR A 70 11.652 0.300 -4.608 1.00 53.21 H new ATOM 0 HH TYR A 70 12.705 0.502 -2.670 1.00 11.42 H new ATOM 1174 N ILE A 71 7.648 2.781 -5.213 1.00 24.01 N ATOM 1175 CA ILE A 71 8.455 3.767 -5.939 1.00 43.34 C ATOM 1176 C ILE A 71 9.854 3.926 -5.315 1.00 5.24 C ATOM 1177 O ILE A 71 10.003 3.920 -4.092 1.00 5.53 O ATOM 1178 CB ILE A 71 7.741 5.144 -5.990 1.00 4.44 C ATOM 1179 CG1 ILE A 71 7.280 5.559 -4.583 1.00 60.32 C ATOM 1180 CG2 ILE A 71 6.557 5.099 -6.960 1.00 23.42 C ATOM 1181 CD1 ILE A 71 6.520 6.865 -4.544 1.00 12.42 C ATOM 0 H ILE A 71 7.565 2.965 -4.213 1.00 24.01 H new ATOM 0 HA ILE A 71 8.575 3.394 -6.956 1.00 43.34 H new ATOM 0 HB ILE A 71 8.448 5.890 -6.353 1.00 4.44 H new ATOM 0 HG12 ILE A 71 6.649 4.771 -4.172 1.00 60.32 H new ATOM 0 HG13 ILE A 71 8.153 5.639 -3.935 1.00 60.32 H new ATOM 0 HG21 ILE A 71 6.068 6.073 -6.983 1.00 23.42 H new ATOM 0 HG22 ILE A 71 6.914 4.849 -7.959 1.00 23.42 H new ATOM 0 HG23 ILE A 71 5.844 4.343 -6.630 1.00 23.42 H new ATOM 0 HD11 ILE A 71 6.230 7.087 -3.517 1.00 12.42 H new ATOM 0 HD12 ILE A 71 7.154 7.666 -4.923 1.00 12.42 H new ATOM 0 HD13 ILE A 71 5.627 6.785 -5.164 1.00 12.42 H new