USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 569 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -1.05 K(o=-1,f=-6.8!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0323 USER MOD Single : A 38 THR OG1 : rot -76:sc= 0.976 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -91:sc= 0.31 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0169) USER MOD Single : A 45 LYS NZ :NH3+ 155:sc= 0.0184 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 71:sc= -0.418 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 66:sc= 1.09 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -130:sc= 0.0107 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 10 1.090 -2.069 -3.396 1.00 11.11 N ATOM 19 CA LYS A 10 0.573 -3.255 -4.068 1.00 21.22 C ATOM 20 C LYS A 10 -0.260 -2.871 -5.287 1.00 3.24 C ATOM 21 O LYS A 10 -1.109 -1.982 -5.214 1.00 72.31 O ATOM 22 CB LYS A 10 -0.273 -4.087 -3.101 1.00 4.44 C ATOM 23 CG LYS A 10 0.548 -4.999 -2.205 1.00 74.13 C ATOM 24 CD LYS A 10 -0.280 -6.163 -1.687 1.00 14.11 C ATOM 25 CE LYS A 10 0.349 -6.788 -0.452 1.00 22.34 C ATOM 26 NZ LYS A 10 -0.031 -8.220 -0.299 1.00 55.13 N ATOM 0 HA LYS A 10 1.422 -3.850 -4.403 1.00 21.22 H new ATOM 0 HB2 LYS A 10 -0.864 -3.415 -2.478 1.00 4.44 H new ATOM 0 HB3 LYS A 10 -0.976 -4.691 -3.674 1.00 4.44 H new ATOM 0 HG2 LYS A 10 1.406 -5.380 -2.760 1.00 74.13 H new ATOM 0 HG3 LYS A 10 0.940 -4.427 -1.364 1.00 74.13 H new ATOM 0 HD2 LYS A 10 -1.286 -5.818 -1.449 1.00 14.11 H new ATOM 0 HD3 LYS A 10 -0.378 -6.917 -2.468 1.00 14.11 H new ATOM 0 HE2 LYS A 10 1.434 -6.705 -0.516 1.00 22.34 H new ATOM 0 HE3 LYS A 10 0.039 -6.233 0.434 1.00 22.34 H new ATOM 0 HZ1 LYS A 10 0.418 -8.609 0.554 1.00 55.13 H new ATOM 0 HZ2 LYS A 10 -1.064 -8.298 -0.212 1.00 55.13 H new ATOM 0 HZ3 LYS A 10 0.288 -8.755 -1.132 1.00 55.13 H new ATOM 40 N ILE A 11 -0.012 -3.546 -6.404 1.00 4.03 N ATOM 41 CA ILE A 11 -0.741 -3.276 -7.637 1.00 22.23 C ATOM 42 C ILE A 11 -1.127 -4.572 -8.342 1.00 1.12 C ATOM 43 O ILE A 11 -0.423 -5.578 -8.246 1.00 41.55 O ATOM 44 CB ILE A 11 0.087 -2.407 -8.602 1.00 11.35 C ATOM 45 CG1 ILE A 11 0.646 -1.185 -7.870 1.00 12.23 C ATOM 46 CG2 ILE A 11 -0.762 -1.977 -9.789 1.00 33.44 C ATOM 47 CD1 ILE A 11 2.005 -1.421 -7.249 1.00 33.51 C ATOM 0 H ILE A 11 0.688 -4.284 -6.481 1.00 4.03 H new ATOM 0 HA ILE A 11 -1.644 -2.734 -7.357 1.00 22.23 H new ATOM 0 HB ILE A 11 0.923 -2.999 -8.974 1.00 11.35 H new ATOM 0 HG12 ILE A 11 0.715 -0.353 -8.570 1.00 12.23 H new ATOM 0 HG13 ILE A 11 -0.054 -0.888 -7.089 1.00 12.23 H new ATOM 0 HG21 ILE A 11 -0.163 -1.364 -10.462 1.00 33.44 H new ATOM 0 HG22 ILE A 11 -1.116 -2.860 -10.322 1.00 33.44 H new ATOM 0 HG23 ILE A 11 -1.616 -1.399 -9.435 1.00 33.44 H new ATOM 0 HD11 ILE A 11 2.339 -0.513 -6.747 1.00 33.51 H new ATOM 0 HD12 ILE A 11 1.938 -2.232 -6.524 1.00 33.51 H new ATOM 0 HD13 ILE A 11 2.719 -1.689 -8.028 1.00 33.51 H new ATOM 59 N LYS A 12 -2.250 -4.541 -9.052 1.00 5.22 N ATOM 60 CA LYS A 12 -2.729 -5.711 -9.777 1.00 74.20 C ATOM 61 C LYS A 12 -2.767 -5.444 -11.278 1.00 41.52 C ATOM 62 O LYS A 12 -3.462 -4.538 -11.739 1.00 51.33 O ATOM 63 CB LYS A 12 -4.123 -6.106 -9.284 1.00 32.32 C ATOM 64 CG LYS A 12 -4.143 -7.401 -8.489 1.00 40.42 C ATOM 65 CD LYS A 12 -5.563 -7.834 -8.165 1.00 23.13 C ATOM 66 CE LYS A 12 -5.580 -9.086 -7.301 1.00 4.33 C ATOM 67 NZ LYS A 12 -6.912 -9.309 -6.674 1.00 3.14 N ATOM 0 H LYS A 12 -2.845 -3.718 -9.140 1.00 5.22 H new ATOM 0 HA LYS A 12 -2.037 -6.532 -9.589 1.00 74.20 H new ATOM 0 HB2 LYS A 12 -4.521 -5.303 -8.664 1.00 32.32 H new ATOM 0 HB3 LYS A 12 -4.788 -6.206 -10.142 1.00 32.32 H new ATOM 0 HG2 LYS A 12 -3.643 -8.186 -9.057 1.00 40.42 H new ATOM 0 HG3 LYS A 12 -3.581 -7.270 -7.564 1.00 40.42 H new ATOM 0 HD2 LYS A 12 -6.082 -7.027 -7.648 1.00 23.13 H new ATOM 0 HD3 LYS A 12 -6.108 -8.022 -9.090 1.00 23.13 H new ATOM 0 HE2 LYS A 12 -5.316 -9.951 -7.910 1.00 4.33 H new ATOM 0 HE3 LYS A 12 -4.822 -9.000 -6.523 1.00 4.33 H new ATOM 0 HZ1 LYS A 12 -6.882 -10.171 -6.094 1.00 3.14 H new ATOM 0 HZ2 LYS A 12 -7.153 -8.495 -6.073 1.00 3.14 H new ATOM 0 HZ3 LYS A 12 -7.632 -9.416 -7.417 1.00 3.14 H new ATOM 81 N ILE A 13 -2.017 -6.237 -12.035 1.00 63.20 N ATOM 82 CA ILE A 13 -1.967 -6.087 -13.484 1.00 0.30 C ATOM 83 C ILE A 13 -2.752 -7.194 -14.179 1.00 25.31 C ATOM 84 O ILE A 13 -2.484 -8.379 -13.978 1.00 74.11 O ATOM 85 CB ILE A 13 -0.517 -6.098 -14.002 1.00 4.23 C ATOM 86 CG1 ILE A 13 -0.495 -5.971 -15.526 1.00 52.24 C ATOM 87 CG2 ILE A 13 0.194 -7.369 -13.561 1.00 15.03 C ATOM 88 CD1 ILE A 13 0.543 -4.996 -16.037 1.00 72.31 C ATOM 0 H ILE A 13 -1.435 -6.991 -11.669 1.00 63.20 H new ATOM 0 HA ILE A 13 -2.420 -5.123 -13.717 1.00 0.30 H new ATOM 0 HB ILE A 13 0.010 -5.244 -13.578 1.00 4.23 H new ATOM 0 HG12 ILE A 13 -0.305 -6.952 -15.961 1.00 52.24 H new ATOM 0 HG13 ILE A 13 -1.480 -5.654 -15.870 1.00 52.24 H new ATOM 0 HG21 ILE A 13 1.218 -7.362 -13.935 1.00 15.03 H new ATOM 0 HG22 ILE A 13 0.206 -7.420 -12.472 1.00 15.03 H new ATOM 0 HG23 ILE A 13 -0.332 -8.237 -13.959 1.00 15.03 H new ATOM 0 HD11 ILE A 13 0.501 -4.957 -17.126 1.00 72.31 H new ATOM 0 HD12 ILE A 13 0.342 -4.005 -15.631 1.00 72.31 H new ATOM 0 HD13 ILE A 13 1.535 -5.323 -15.723 1.00 72.31 H new ATOM 100 N VAL A 14 -3.721 -6.800 -14.999 1.00 65.53 N ATOM 101 CA VAL A 14 -4.543 -7.760 -15.727 1.00 43.53 C ATOM 102 C VAL A 14 -4.086 -7.887 -17.176 1.00 40.32 C ATOM 103 O VAL A 14 -4.243 -6.972 -17.985 1.00 44.11 O ATOM 104 CB VAL A 14 -6.029 -7.357 -15.703 1.00 33.24 C ATOM 105 CG1 VAL A 14 -6.882 -8.423 -16.373 1.00 74.11 C ATOM 106 CG2 VAL A 14 -6.491 -7.114 -14.274 1.00 12.22 C ATOM 0 H VAL A 14 -3.956 -5.823 -15.176 1.00 65.53 H new ATOM 0 HA VAL A 14 -4.426 -8.721 -15.226 1.00 43.53 H new ATOM 0 HB VAL A 14 -6.145 -6.428 -16.262 1.00 33.24 H new ATOM 0 HG11 VAL A 14 -7.929 -8.121 -16.347 1.00 74.11 H new ATOM 0 HG12 VAL A 14 -6.565 -8.544 -17.409 1.00 74.11 H new ATOM 0 HG13 VAL A 14 -6.764 -9.369 -15.844 1.00 74.11 H new ATOM 0 HG21 VAL A 14 -7.543 -6.830 -14.275 1.00 12.22 H new ATOM 0 HG22 VAL A 14 -6.362 -8.025 -13.690 1.00 12.22 H new ATOM 0 HG23 VAL A 14 -5.899 -6.312 -13.832 1.00 12.22 H new ATOM 116 N PRO A 15 -3.507 -9.049 -17.514 1.00 53.44 N ATOM 117 CA PRO A 15 -3.017 -9.324 -18.868 1.00 25.11 C ATOM 118 C PRO A 15 -4.151 -9.483 -19.875 1.00 23.44 C ATOM 119 O PRO A 15 -5.158 -10.132 -19.592 1.00 4.22 O ATOM 120 CB PRO A 15 -2.255 -10.642 -18.708 1.00 22.14 C ATOM 121 CG PRO A 15 -2.877 -11.298 -17.523 1.00 51.43 C ATOM 122 CD PRO A 15 -3.288 -10.183 -16.601 1.00 51.04 C ATOM 0 HA PRO A 15 -2.408 -8.507 -19.254 1.00 25.11 H new ATOM 0 HB2 PRO A 15 -2.348 -11.264 -19.599 1.00 22.14 H new ATOM 0 HB3 PRO A 15 -1.191 -10.467 -18.551 1.00 22.14 H new ATOM 0 HG2 PRO A 15 -3.738 -11.899 -17.817 1.00 51.43 H new ATOM 0 HG3 PRO A 15 -2.172 -11.969 -17.033 1.00 51.43 H new ATOM 0 HD2 PRO A 15 -4.192 -10.433 -16.046 1.00 51.04 H new ATOM 0 HD3 PRO A 15 -2.514 -9.963 -15.866 1.00 51.04 H new ATOM 130 N ALA A 16 -3.980 -8.888 -21.050 1.00 51.14 N ATOM 131 CA ALA A 16 -4.989 -8.966 -22.100 1.00 23.22 C ATOM 132 C ALA A 16 -4.807 -10.224 -22.943 1.00 40.41 C ATOM 133 O ALA A 16 -4.736 -10.155 -24.170 1.00 74.53 O ATOM 134 CB ALA A 16 -4.933 -7.726 -22.979 1.00 43.12 C ATOM 0 H ALA A 16 -3.152 -8.346 -21.300 1.00 51.14 H new ATOM 0 HA ALA A 16 -5.969 -9.017 -21.626 1.00 23.22 H new ATOM 0 HB1 ALA A 16 -5.692 -7.798 -23.758 1.00 43.12 H new ATOM 0 HB2 ALA A 16 -5.120 -6.841 -22.371 1.00 43.12 H new ATOM 0 HB3 ALA A 16 -3.947 -7.650 -23.438 1.00 43.12 H new ATOM 170 N GLY A 20 -6.501 -14.305 -19.074 1.00 4.42 N ATOM 171 CA GLY A 20 -6.572 -12.982 -18.481 1.00 32.02 C ATOM 172 C GLY A 20 -6.858 -13.029 -16.993 1.00 14.51 C ATOM 173 O GLY A 20 -8.016 -12.988 -16.575 1.00 25.30 O ATOM 0 HA2 GLY A 20 -5.630 -12.460 -18.651 1.00 32.02 H new ATOM 0 HA3 GLY A 20 -7.351 -12.405 -18.980 1.00 32.02 H new ATOM 177 N SER A 21 -5.802 -13.115 -16.191 1.00 61.10 N ATOM 178 CA SER A 21 -5.945 -13.173 -14.741 1.00 55.11 C ATOM 179 C SER A 21 -5.085 -12.108 -14.067 1.00 73.31 C ATOM 180 O SER A 21 -3.909 -11.932 -14.385 1.00 1.44 O ATOM 181 CB SER A 21 -5.559 -14.560 -14.224 1.00 4.20 C ATOM 182 OG SER A 21 -6.263 -14.876 -13.035 1.00 45.52 O ATOM 0 H SER A 21 -4.837 -13.146 -16.521 1.00 61.10 H new ATOM 0 HA SER A 21 -6.989 -12.980 -14.496 1.00 55.11 H new ATOM 0 HB2 SER A 21 -5.773 -15.308 -14.987 1.00 4.20 H new ATOM 0 HB3 SER A 21 -4.486 -14.595 -14.035 1.00 4.20 H new ATOM 0 HG SER A 21 -6.000 -15.768 -12.726 1.00 45.52 H new ATOM 188 N PRO A 22 -5.685 -11.381 -13.113 1.00 52.32 N ATOM 189 CA PRO A 22 -4.994 -10.321 -12.373 1.00 45.04 C ATOM 190 C PRO A 22 -3.935 -10.873 -11.424 1.00 52.42 C ATOM 191 O PRO A 22 -4.200 -11.794 -10.651 1.00 2.13 O ATOM 192 CB PRO A 22 -6.119 -9.646 -11.585 1.00 41.03 C ATOM 193 CG PRO A 22 -7.162 -10.699 -11.437 1.00 21.32 C ATOM 194 CD PRO A 22 -7.085 -11.537 -12.683 1.00 41.02 C ATOM 0 HA PRO A 22 -4.456 -9.645 -13.037 1.00 45.04 H new ATOM 0 HB2 PRO A 22 -5.768 -9.297 -10.614 1.00 41.03 H new ATOM 0 HB3 PRO A 22 -6.507 -8.776 -12.115 1.00 41.03 H new ATOM 0 HG2 PRO A 22 -6.982 -11.304 -10.548 1.00 21.32 H new ATOM 0 HG3 PRO A 22 -8.151 -10.255 -11.326 1.00 21.32 H new ATOM 0 HD2 PRO A 22 -7.330 -12.580 -12.482 1.00 41.02 H new ATOM 0 HD3 PRO A 22 -7.781 -11.188 -13.446 1.00 41.02 H new ATOM 202 N LEU A 23 -2.736 -10.304 -11.488 1.00 14.35 N ATOM 203 CA LEU A 23 -1.637 -10.738 -10.633 1.00 32.44 C ATOM 204 C LEU A 23 -1.223 -9.629 -9.672 1.00 11.35 C ATOM 205 O LEU A 23 -0.935 -8.508 -10.090 1.00 61.13 O ATOM 206 CB LEU A 23 -0.440 -11.164 -11.484 1.00 50.05 C ATOM 207 CG LEU A 23 -0.739 -12.144 -12.620 1.00 4.22 C ATOM 208 CD1 LEU A 23 0.066 -11.786 -13.859 1.00 42.34 C ATOM 209 CD2 LEU A 23 -0.443 -13.571 -12.184 1.00 21.43 C ATOM 0 H LEU A 23 -2.500 -9.541 -12.123 1.00 14.35 H new ATOM 0 HA LEU A 23 -1.981 -11.591 -10.047 1.00 32.44 H new ATOM 0 HB2 LEU A 23 0.013 -10.270 -11.912 1.00 50.05 H new ATOM 0 HB3 LEU A 23 0.304 -11.615 -10.828 1.00 50.05 H new ATOM 0 HG LEU A 23 -1.798 -12.073 -12.867 1.00 4.22 H new ATOM 0 HD11 LEU A 23 -0.160 -12.494 -14.657 1.00 42.34 H new ATOM 0 HD12 LEU A 23 -0.194 -10.779 -14.184 1.00 42.34 H new ATOM 0 HD13 LEU A 23 1.130 -11.829 -13.626 1.00 42.34 H new ATOM 0 HD21 LEU A 23 -0.661 -14.255 -13.004 1.00 21.43 H new ATOM 0 HD22 LEU A 23 0.608 -13.657 -11.910 1.00 21.43 H new ATOM 0 HD23 LEU A 23 -1.064 -13.825 -11.325 1.00 21.43 H new ATOM 221 N GLU A 24 -1.194 -9.950 -8.382 1.00 11.12 N ATOM 222 CA GLU A 24 -0.814 -8.980 -7.362 1.00 44.40 C ATOM 223 C GLU A 24 0.678 -9.070 -7.055 1.00 5.01 C ATOM 224 O GLU A 24 1.203 -10.150 -6.782 1.00 25.24 O ATOM 225 CB GLU A 24 -1.623 -9.206 -6.084 1.00 32.14 C ATOM 226 CG GLU A 24 -1.560 -8.042 -5.109 1.00 22.32 C ATOM 227 CD GLU A 24 -2.647 -8.105 -4.054 1.00 30.23 C ATOM 228 OE1 GLU A 24 -2.617 -9.040 -3.226 1.00 65.33 O ATOM 229 OE2 GLU A 24 -3.528 -7.220 -4.055 1.00 60.31 O ATOM 0 H GLU A 24 -1.429 -10.874 -8.019 1.00 11.12 H new ATOM 0 HA GLU A 24 -1.029 -7.983 -7.747 1.00 44.40 H new ATOM 0 HB2 GLU A 24 -2.664 -9.389 -6.351 1.00 32.14 H new ATOM 0 HB3 GLU A 24 -1.258 -10.105 -5.587 1.00 32.14 H new ATOM 0 HG2 GLU A 24 -0.585 -8.034 -4.621 1.00 22.32 H new ATOM 0 HG3 GLU A 24 -1.648 -7.106 -5.660 1.00 22.32 H new ATOM 236 N LEU A 25 1.356 -7.928 -7.102 1.00 63.55 N ATOM 237 CA LEU A 25 2.789 -7.877 -6.830 1.00 75.11 C ATOM 238 C LEU A 25 3.154 -6.602 -6.078 1.00 4.41 C ATOM 239 O LEU A 25 2.407 -5.624 -6.095 1.00 30.32 O ATOM 240 CB LEU A 25 3.579 -7.957 -8.137 1.00 4.20 C ATOM 241 CG LEU A 25 3.650 -9.335 -8.796 1.00 53.31 C ATOM 242 CD1 LEU A 25 3.089 -9.280 -10.209 1.00 1.12 C ATOM 243 CD2 LEU A 25 5.082 -9.848 -8.808 1.00 43.44 C ATOM 0 H LEU A 25 0.937 -7.025 -7.326 1.00 63.55 H new ATOM 0 HA LEU A 25 3.047 -8.732 -6.205 1.00 75.11 H new ATOM 0 HB2 LEU A 25 3.138 -7.259 -8.848 1.00 4.20 H new ATOM 0 HB3 LEU A 25 4.596 -7.616 -7.945 1.00 4.20 H new ATOM 0 HG LEU A 25 3.043 -10.027 -8.213 1.00 53.31 H new ATOM 0 HD11 LEU A 25 3.148 -10.269 -10.663 1.00 1.12 H new ATOM 0 HD12 LEU A 25 2.048 -8.957 -10.175 1.00 1.12 H new ATOM 0 HD13 LEU A 25 3.669 -8.574 -10.803 1.00 1.12 H new ATOM 0 HD21 LEU A 25 5.113 -10.830 -9.281 1.00 43.44 H new ATOM 0 HD22 LEU A 25 5.712 -9.156 -9.367 1.00 43.44 H new ATOM 0 HD23 LEU A 25 5.449 -9.926 -7.785 1.00 43.44 H new ATOM 255 N GLU A 26 4.310 -6.619 -5.421 1.00 12.13 N ATOM 256 CA GLU A 26 4.775 -5.462 -4.664 1.00 32.51 C ATOM 257 C GLU A 26 5.818 -4.678 -5.455 1.00 15.10 C ATOM 258 O GLU A 26 6.951 -5.127 -5.626 1.00 31.22 O ATOM 259 CB GLU A 26 5.363 -5.906 -3.323 1.00 3.31 C ATOM 260 CG GLU A 26 5.947 -4.764 -2.507 1.00 74.30 C ATOM 261 CD GLU A 26 6.380 -5.200 -1.121 1.00 13.13 C ATOM 262 OE1 GLU A 26 7.465 -5.807 -1.002 1.00 75.54 O ATOM 263 OE2 GLU A 26 5.635 -4.934 -0.155 1.00 14.13 O ATOM 0 H GLU A 26 4.941 -7.420 -5.398 1.00 12.13 H new ATOM 0 HA GLU A 26 3.920 -4.812 -4.480 1.00 32.51 H new ATOM 0 HB2 GLU A 26 4.585 -6.398 -2.739 1.00 3.31 H new ATOM 0 HB3 GLU A 26 6.141 -6.647 -3.505 1.00 3.31 H new ATOM 0 HG2 GLU A 26 6.803 -4.345 -3.036 1.00 74.30 H new ATOM 0 HG3 GLU A 26 5.206 -3.969 -2.419 1.00 74.30 H new ATOM 270 N VAL A 27 5.425 -3.503 -5.936 1.00 44.55 N ATOM 271 CA VAL A 27 6.325 -2.654 -6.709 1.00 60.31 C ATOM 272 C VAL A 27 6.133 -1.184 -6.355 1.00 40.14 C ATOM 273 O VAL A 27 5.164 -0.816 -5.691 1.00 65.04 O ATOM 274 CB VAL A 27 6.109 -2.839 -8.223 1.00 31.31 C ATOM 275 CG1 VAL A 27 6.617 -4.201 -8.673 1.00 10.35 C ATOM 276 CG2 VAL A 27 4.639 -2.666 -8.576 1.00 24.31 C ATOM 0 H VAL A 27 4.490 -3.117 -5.804 1.00 44.55 H new ATOM 0 HA VAL A 27 7.341 -2.956 -6.455 1.00 60.31 H new ATOM 0 HB VAL A 27 6.679 -2.073 -8.750 1.00 31.31 H new ATOM 0 HG11 VAL A 27 6.456 -4.313 -9.745 1.00 10.35 H new ATOM 0 HG12 VAL A 27 7.682 -4.282 -8.456 1.00 10.35 H new ATOM 0 HG13 VAL A 27 6.077 -4.985 -8.141 1.00 10.35 H new ATOM 0 HG21 VAL A 27 4.504 -2.800 -9.649 1.00 24.31 H new ATOM 0 HG22 VAL A 27 4.046 -3.408 -8.041 1.00 24.31 H new ATOM 0 HG23 VAL A 27 4.312 -1.666 -8.291 1.00 24.31 H new ATOM 286 N ALA A 28 7.063 -0.347 -6.804 1.00 54.22 N ATOM 287 CA ALA A 28 6.995 1.085 -6.537 1.00 74.44 C ATOM 288 C ALA A 28 7.198 1.892 -7.815 1.00 61.52 C ATOM 289 O ALA A 28 8.270 1.882 -8.420 1.00 64.41 O ATOM 290 CB ALA A 28 8.029 1.477 -5.493 1.00 22.51 C ATOM 0 H ALA A 28 7.872 -0.636 -7.354 1.00 54.22 H new ATOM 0 HA ALA A 28 6.001 1.310 -6.150 1.00 74.44 H new ATOM 0 HB1 ALA A 28 7.967 2.549 -5.304 1.00 22.51 H new ATOM 0 HB2 ALA A 28 7.836 0.933 -4.568 1.00 22.51 H new ATOM 0 HB3 ALA A 28 9.026 1.230 -5.858 1.00 22.51 H new ATOM 296 N PRO A 29 6.145 2.607 -8.238 1.00 5.30 N ATOM 297 CA PRO A 29 6.185 3.433 -9.449 1.00 14.15 C ATOM 298 C PRO A 29 7.077 4.659 -9.286 1.00 31.24 C ATOM 299 O PRO A 29 7.415 5.326 -10.262 1.00 63.12 O ATOM 300 CB PRO A 29 4.725 3.855 -9.637 1.00 44.31 C ATOM 301 CG PRO A 29 4.133 3.793 -8.271 1.00 45.14 C ATOM 302 CD PRO A 29 4.836 2.666 -7.566 1.00 43.04 C ATOM 0 HA PRO A 29 6.600 2.891 -10.299 1.00 14.15 H new ATOM 0 HB2 PRO A 29 4.654 4.860 -10.054 1.00 44.31 H new ATOM 0 HB3 PRO A 29 4.205 3.187 -10.324 1.00 44.31 H new ATOM 0 HG2 PRO A 29 4.276 4.735 -7.741 1.00 45.14 H new ATOM 0 HG3 PRO A 29 3.059 3.614 -8.319 1.00 45.14 H new ATOM 0 HD2 PRO A 29 4.941 2.863 -6.499 1.00 43.04 H new ATOM 0 HD3 PRO A 29 4.291 1.727 -7.665 1.00 43.04 H new ATOM 310 N ASN A 30 7.455 4.949 -8.045 1.00 1.01 N ATOM 311 CA ASN A 30 8.309 6.095 -7.754 1.00 53.35 C ATOM 312 C ASN A 30 9.782 5.725 -7.892 1.00 63.05 C ATOM 313 O ASN A 30 10.665 6.507 -7.541 1.00 11.12 O ATOM 314 CB ASN A 30 8.033 6.619 -6.343 1.00 72.45 C ATOM 315 CG ASN A 30 8.756 7.920 -6.058 1.00 2.41 C ATOM 316 OD1 ASN A 30 9.153 8.637 -6.977 1.00 0.54 O ATOM 317 ND2 ASN A 30 8.931 8.232 -4.779 1.00 23.52 N ATOM 0 H ASN A 30 7.183 4.406 -7.225 1.00 1.01 H new ATOM 0 HA ASN A 30 8.080 6.879 -8.476 1.00 53.35 H new ATOM 0 HB2 ASN A 30 6.961 6.767 -6.217 1.00 72.45 H new ATOM 0 HB3 ASN A 30 8.339 5.869 -5.614 1.00 72.45 H new ATOM 0 HD21 ASN A 30 9.411 9.096 -4.526 1.00 23.52 H new ATOM 0 HD22 ASN A 30 8.585 7.608 -4.050 1.00 23.52 H new ATOM 324 N ALA A 31 10.040 4.527 -8.407 1.00 41.24 N ATOM 325 CA ALA A 31 11.406 4.054 -8.595 1.00 31.04 C ATOM 326 C ALA A 31 11.797 4.075 -10.068 1.00 42.13 C ATOM 327 O ALA A 31 12.512 4.971 -10.519 1.00 60.24 O ATOM 328 CB ALA A 31 11.561 2.651 -8.025 1.00 43.54 C ATOM 0 H ALA A 31 9.321 3.866 -8.701 1.00 41.24 H new ATOM 0 HA ALA A 31 12.075 4.728 -8.060 1.00 31.04 H new ATOM 0 HB1 ALA A 31 12.586 2.310 -8.172 1.00 43.54 H new ATOM 0 HB2 ALA A 31 11.332 2.664 -6.959 1.00 43.54 H new ATOM 0 HB3 ALA A 31 10.876 1.973 -8.535 1.00 43.54 H new ATOM 334 N THR A 32 11.325 3.082 -10.816 1.00 13.33 N ATOM 335 CA THR A 32 11.627 2.986 -12.238 1.00 73.02 C ATOM 336 C THR A 32 10.577 2.156 -12.968 1.00 62.41 C ATOM 337 O THR A 32 10.070 1.169 -12.434 1.00 52.30 O ATOM 338 CB THR A 32 13.015 2.363 -12.477 1.00 30.31 C ATOM 339 OG1 THR A 32 13.610 1.999 -11.226 1.00 62.13 O ATOM 340 CG2 THR A 32 13.925 3.334 -13.214 1.00 12.03 C ATOM 0 H THR A 32 10.732 2.333 -10.460 1.00 13.33 H new ATOM 0 HA THR A 32 11.621 4.002 -12.632 1.00 73.02 H new ATOM 0 HB THR A 32 12.888 1.472 -13.092 1.00 30.31 H new ATOM 0 HG1 THR A 32 14.492 1.602 -11.386 1.00 62.13 H new ATOM 0 HG21 THR A 32 14.899 2.872 -13.371 1.00 12.03 H new ATOM 0 HG22 THR A 32 13.483 3.586 -14.178 1.00 12.03 H new ATOM 0 HG23 THR A 32 14.045 4.241 -12.622 1.00 12.03 H new ATOM 348 N VAL A 33 10.256 2.560 -14.193 1.00 12.42 N ATOM 349 CA VAL A 33 9.267 1.852 -14.997 1.00 44.13 C ATOM 350 C VAL A 33 9.785 0.483 -15.424 1.00 11.02 C ATOM 351 O VAL A 33 9.088 -0.523 -15.297 1.00 2.13 O ATOM 352 CB VAL A 33 8.884 2.658 -16.253 1.00 31.23 C ATOM 353 CG1 VAL A 33 7.894 1.879 -17.106 1.00 24.23 C ATOM 354 CG2 VAL A 33 8.313 4.013 -15.862 1.00 72.50 C ATOM 0 H VAL A 33 10.667 3.374 -14.650 1.00 12.42 H new ATOM 0 HA VAL A 33 8.383 1.725 -14.372 1.00 44.13 H new ATOM 0 HB VAL A 33 9.784 2.825 -16.845 1.00 31.23 H new ATOM 0 HG11 VAL A 33 7.635 2.464 -17.989 1.00 24.23 H new ATOM 0 HG12 VAL A 33 8.344 0.935 -17.415 1.00 24.23 H new ATOM 0 HG13 VAL A 33 6.993 1.679 -16.526 1.00 24.23 H new ATOM 0 HG21 VAL A 33 8.048 4.569 -16.761 1.00 72.50 H new ATOM 0 HG22 VAL A 33 7.424 3.870 -15.248 1.00 72.50 H new ATOM 0 HG23 VAL A 33 9.058 4.572 -15.296 1.00 72.50 H new ATOM 364 N GLY A 34 11.014 0.452 -15.931 1.00 12.42 N ATOM 365 CA GLY A 34 11.605 -0.799 -16.368 1.00 53.34 C ATOM 366 C GLY A 34 11.850 -1.757 -15.220 1.00 2.02 C ATOM 367 O GLY A 34 11.746 -2.972 -15.384 1.00 24.24 O ATOM 0 H GLY A 34 11.611 1.271 -16.047 1.00 12.42 H new ATOM 0 HA2 GLY A 34 10.948 -1.272 -17.098 1.00 53.34 H new ATOM 0 HA3 GLY A 34 12.549 -0.594 -16.874 1.00 53.34 H new ATOM 371 N ALA A 35 12.178 -1.209 -14.054 1.00 64.42 N ATOM 372 CA ALA A 35 12.439 -2.024 -12.874 1.00 2.00 C ATOM 373 C ALA A 35 11.180 -2.756 -12.423 1.00 13.22 C ATOM 374 O ALA A 35 11.216 -3.950 -12.125 1.00 43.13 O ATOM 375 CB ALA A 35 12.982 -1.160 -11.746 1.00 5.23 C ATOM 0 H ALA A 35 12.269 -0.205 -13.902 1.00 64.42 H new ATOM 0 HA ALA A 35 13.187 -2.771 -13.137 1.00 2.00 H new ATOM 0 HB1 ALA A 35 13.172 -1.781 -10.871 1.00 5.23 H new ATOM 0 HB2 ALA A 35 13.911 -0.687 -12.065 1.00 5.23 H new ATOM 0 HB3 ALA A 35 12.252 -0.391 -11.493 1.00 5.23 H new ATOM 381 N VAL A 36 10.066 -2.032 -12.374 1.00 32.15 N ATOM 382 CA VAL A 36 8.794 -2.613 -11.959 1.00 4.12 C ATOM 383 C VAL A 36 8.292 -3.624 -12.983 1.00 61.12 C ATOM 384 O VAL A 36 7.839 -4.712 -12.626 1.00 40.22 O ATOM 385 CB VAL A 36 7.721 -1.527 -11.756 1.00 72.23 C ATOM 386 CG1 VAL A 36 6.392 -2.156 -11.365 1.00 62.23 C ATOM 387 CG2 VAL A 36 8.172 -0.521 -10.709 1.00 5.23 C ATOM 0 H VAL A 36 10.018 -1.042 -12.616 1.00 32.15 H new ATOM 0 HA VAL A 36 8.971 -3.119 -11.010 1.00 4.12 H new ATOM 0 HB VAL A 36 7.582 -0.998 -12.699 1.00 72.23 H new ATOM 0 HG11 VAL A 36 5.646 -1.373 -11.226 1.00 62.23 H new ATOM 0 HG12 VAL A 36 6.064 -2.834 -12.153 1.00 62.23 H new ATOM 0 HG13 VAL A 36 6.512 -2.712 -10.435 1.00 62.23 H new ATOM 0 HG21 VAL A 36 7.401 0.239 -10.579 1.00 5.23 H new ATOM 0 HG22 VAL A 36 8.341 -1.033 -9.762 1.00 5.23 H new ATOM 0 HG23 VAL A 36 9.098 -0.047 -11.035 1.00 5.23 H new ATOM 397 N ARG A 37 8.376 -3.258 -14.258 1.00 71.20 N ATOM 398 CA ARG A 37 7.929 -4.133 -15.335 1.00 61.31 C ATOM 399 C ARG A 37 8.728 -5.433 -15.346 1.00 60.23 C ATOM 400 O ARG A 37 8.175 -6.514 -15.555 1.00 11.40 O ATOM 401 CB ARG A 37 8.066 -3.427 -16.685 1.00 13.40 C ATOM 402 CG ARG A 37 6.773 -3.384 -17.483 1.00 41.45 C ATOM 403 CD ARG A 37 6.623 -4.612 -18.368 1.00 5.32 C ATOM 404 NE ARG A 37 5.254 -5.120 -18.371 1.00 64.14 N ATOM 405 CZ ARG A 37 4.760 -5.907 -17.422 1.00 41.20 C ATOM 406 NH1 ARG A 37 5.519 -6.273 -16.398 1.00 52.21 N ATOM 407 NH2 ARG A 37 3.504 -6.329 -17.495 1.00 42.45 N ATOM 0 H ARG A 37 8.749 -2.362 -14.570 1.00 71.20 H new ATOM 0 HA ARG A 37 6.880 -4.372 -15.163 1.00 61.31 H new ATOM 0 HB2 ARG A 37 8.415 -2.408 -16.519 1.00 13.40 H new ATOM 0 HB3 ARG A 37 8.830 -3.933 -17.274 1.00 13.40 H new ATOM 0 HG2 ARG A 37 5.925 -3.320 -16.801 1.00 41.45 H new ATOM 0 HG3 ARG A 37 6.754 -2.485 -18.100 1.00 41.45 H new ATOM 0 HD2 ARG A 37 6.920 -4.363 -19.387 1.00 5.32 H new ATOM 0 HD3 ARG A 37 7.299 -5.394 -18.021 1.00 5.32 H new ATOM 0 HE ARG A 37 4.644 -4.856 -19.144 1.00 64.14 H new ATOM 0 HH11 ARG A 37 6.485 -5.950 -16.338 1.00 52.21 H new ATOM 0 HH12 ARG A 37 5.137 -6.877 -15.671 1.00 52.21 H new ATOM 0 HH21 ARG A 37 2.917 -6.049 -18.281 1.00 42.45 H new ATOM 0 HH22 ARG A 37 3.126 -6.933 -16.766 1.00 42.45 H new ATOM 421 N THR A 38 10.034 -5.322 -15.121 1.00 15.43 N ATOM 422 CA THR A 38 10.909 -6.487 -15.107 1.00 0.45 C ATOM 423 C THR A 38 10.646 -7.357 -13.883 1.00 72.33 C ATOM 424 O THR A 38 10.686 -8.585 -13.962 1.00 24.32 O ATOM 425 CB THR A 38 12.393 -6.074 -15.119 1.00 61.22 C ATOM 426 OG1 THR A 38 12.651 -5.142 -14.064 1.00 5.33 O ATOM 427 CG2 THR A 38 12.771 -5.453 -16.455 1.00 53.14 C ATOM 0 H THR A 38 10.509 -4.436 -14.946 1.00 15.43 H new ATOM 0 HA THR A 38 10.690 -7.058 -16.009 1.00 0.45 H new ATOM 0 HB THR A 38 12.997 -6.969 -14.968 1.00 61.22 H new ATOM 0 HG1 THR A 38 12.309 -4.259 -14.317 1.00 5.33 H new ATOM 0 HG21 THR A 38 13.823 -5.169 -16.440 1.00 53.14 H new ATOM 0 HG22 THR A 38 12.602 -6.176 -17.253 1.00 53.14 H new ATOM 0 HG23 THR A 38 12.159 -4.568 -16.631 1.00 53.14 H new ATOM 435 N LYS A 39 10.375 -6.714 -12.752 1.00 71.45 N ATOM 436 CA LYS A 39 10.103 -7.430 -11.511 1.00 55.34 C ATOM 437 C LYS A 39 8.831 -8.264 -11.632 1.00 41.30 C ATOM 438 O LYS A 39 8.798 -9.426 -11.227 1.00 1.35 O ATOM 439 CB LYS A 39 9.970 -6.443 -10.349 1.00 32.42 C ATOM 440 CG LYS A 39 11.137 -6.488 -9.377 1.00 54.13 C ATOM 441 CD LYS A 39 11.181 -7.804 -8.619 1.00 11.11 C ATOM 442 CE LYS A 39 10.040 -7.910 -7.619 1.00 13.40 C ATOM 443 NZ LYS A 39 10.536 -8.125 -6.232 1.00 0.24 N ATOM 0 H LYS A 39 10.338 -5.698 -12.669 1.00 71.45 H new ATOM 0 HA LYS A 39 10.939 -8.101 -11.316 1.00 55.34 H new ATOM 0 HB2 LYS A 39 9.880 -5.433 -10.749 1.00 32.42 H new ATOM 0 HB3 LYS A 39 9.048 -6.654 -9.807 1.00 32.42 H new ATOM 0 HG2 LYS A 39 12.071 -6.349 -9.922 1.00 54.13 H new ATOM 0 HG3 LYS A 39 11.055 -5.662 -8.670 1.00 54.13 H new ATOM 0 HD2 LYS A 39 11.126 -8.633 -9.324 1.00 11.11 H new ATOM 0 HD3 LYS A 39 12.133 -7.892 -8.096 1.00 11.11 H new ATOM 0 HE2 LYS A 39 9.441 -7.000 -7.653 1.00 13.40 H new ATOM 0 HE3 LYS A 39 9.385 -8.734 -7.902 1.00 13.40 H new ATOM 0 HZ1 LYS A 39 9.728 -8.192 -5.581 1.00 0.24 H new ATOM 0 HZ2 LYS A 39 11.086 -9.007 -6.193 1.00 0.24 H new ATOM 0 HZ3 LYS A 39 11.141 -7.327 -5.952 1.00 0.24 H new ATOM 457 N VAL A 40 7.786 -7.664 -12.193 1.00 41.23 N ATOM 458 CA VAL A 40 6.513 -8.352 -12.370 1.00 21.33 C ATOM 459 C VAL A 40 6.628 -9.461 -13.409 1.00 74.44 C ATOM 460 O VAL A 40 6.218 -10.597 -13.168 1.00 35.31 O ATOM 461 CB VAL A 40 5.401 -7.376 -12.797 1.00 43.32 C ATOM 462 CG1 VAL A 40 4.092 -8.119 -13.015 1.00 2.10 C ATOM 463 CG2 VAL A 40 5.233 -6.274 -11.761 1.00 72.44 C ATOM 0 H VAL A 40 7.796 -6.702 -12.533 1.00 41.23 H new ATOM 0 HA VAL A 40 6.252 -8.787 -11.405 1.00 21.33 H new ATOM 0 HB VAL A 40 5.690 -6.914 -13.741 1.00 43.32 H new ATOM 0 HG11 VAL A 40 3.318 -7.413 -13.316 1.00 2.10 H new ATOM 0 HG12 VAL A 40 4.224 -8.867 -13.796 1.00 2.10 H new ATOM 0 HG13 VAL A 40 3.794 -8.610 -12.089 1.00 2.10 H new ATOM 0 HG21 VAL A 40 4.443 -5.593 -12.079 1.00 72.44 H new ATOM 0 HG22 VAL A 40 4.967 -6.715 -10.800 1.00 72.44 H new ATOM 0 HG23 VAL A 40 6.168 -5.723 -11.661 1.00 72.44 H new ATOM 473 N CYS A 41 7.188 -9.125 -14.566 1.00 14.21 N ATOM 474 CA CYS A 41 7.356 -10.093 -15.644 1.00 43.31 C ATOM 475 C CYS A 41 8.131 -11.314 -15.162 1.00 25.44 C ATOM 476 O CYS A 41 7.778 -12.450 -15.477 1.00 21.23 O ATOM 477 CB CYS A 41 8.081 -9.448 -16.827 1.00 74.50 C ATOM 478 SG CYS A 41 7.682 -10.188 -18.428 1.00 52.32 S ATOM 0 H CYS A 41 7.533 -8.190 -14.782 1.00 14.21 H new ATOM 0 HA CYS A 41 6.366 -10.417 -15.966 1.00 43.31 H new ATOM 0 HB2 CYS A 41 7.833 -8.387 -16.857 1.00 74.50 H new ATOM 0 HB3 CYS A 41 9.156 -9.519 -16.663 1.00 74.50 H new ATOM 0 HG CYS A 41 8.520 -11.149 -18.683 1.00 52.32 H new ATOM 484 N ALA A 42 9.191 -11.072 -14.397 1.00 30.33 N ATOM 485 CA ALA A 42 10.016 -12.152 -13.871 1.00 22.54 C ATOM 486 C ALA A 42 9.223 -13.030 -12.908 1.00 63.21 C ATOM 487 O ALA A 42 9.309 -14.257 -12.958 1.00 4.22 O ATOM 488 CB ALA A 42 11.248 -11.587 -13.179 1.00 50.13 C ATOM 0 H ALA A 42 9.498 -10.137 -14.128 1.00 30.33 H new ATOM 0 HA ALA A 42 10.335 -12.772 -14.709 1.00 22.54 H new ATOM 0 HB1 ALA A 42 11.855 -12.405 -12.791 1.00 50.13 H new ATOM 0 HB2 ALA A 42 11.833 -11.008 -13.894 1.00 50.13 H new ATOM 0 HB3 ALA A 42 10.940 -10.942 -12.356 1.00 50.13 H new ATOM 494 N MET A 43 8.452 -12.394 -12.033 1.00 1.43 N ATOM 495 CA MET A 43 7.643 -13.118 -11.059 1.00 4.21 C ATOM 496 C MET A 43 6.663 -14.056 -11.756 1.00 41.33 C ATOM 497 O MET A 43 6.285 -15.093 -11.211 1.00 1.31 O ATOM 498 CB MET A 43 6.881 -12.136 -10.166 1.00 63.53 C ATOM 499 CG MET A 43 7.579 -11.847 -8.847 1.00 71.12 C ATOM 500 SD MET A 43 6.861 -12.759 -7.467 1.00 63.22 S ATOM 501 CE MET A 43 7.471 -11.807 -6.078 1.00 41.23 C ATOM 0 H MET A 43 8.370 -11.379 -11.978 1.00 1.43 H new ATOM 0 HA MET A 43 8.312 -13.716 -10.440 1.00 4.21 H new ATOM 0 HB2 MET A 43 6.741 -11.200 -10.706 1.00 63.53 H new ATOM 0 HB3 MET A 43 5.889 -12.538 -9.962 1.00 63.53 H new ATOM 0 HG2 MET A 43 8.635 -12.102 -8.936 1.00 71.12 H new ATOM 0 HG3 MET A 43 7.525 -10.778 -8.638 1.00 71.12 H new ATOM 0 HE1 MET A 43 7.111 -12.248 -5.148 1.00 41.23 H new ATOM 0 HE2 MET A 43 8.561 -11.812 -6.084 1.00 41.23 H new ATOM 0 HE3 MET A 43 7.113 -10.780 -6.155 1.00 41.23 H new ATOM 511 N LYS A 44 6.254 -13.685 -12.965 1.00 3.31 N ATOM 512 CA LYS A 44 5.319 -14.493 -13.738 1.00 53.40 C ATOM 513 C LYS A 44 6.055 -15.338 -14.772 1.00 42.13 C ATOM 514 O LYS A 44 5.459 -16.190 -15.431 1.00 62.32 O ATOM 515 CB LYS A 44 4.293 -13.596 -14.434 1.00 54.41 C ATOM 516 CG LYS A 44 3.675 -12.554 -13.518 1.00 12.42 C ATOM 517 CD LYS A 44 2.714 -13.184 -12.524 1.00 74.33 C ATOM 518 CE LYS A 44 3.440 -13.676 -11.282 1.00 31.43 C ATOM 519 NZ LYS A 44 2.615 -13.506 -10.053 1.00 44.14 N ATOM 0 H LYS A 44 6.556 -12.829 -13.430 1.00 3.31 H new ATOM 0 HA LYS A 44 4.801 -15.162 -13.050 1.00 53.40 H new ATOM 0 HB2 LYS A 44 4.773 -13.091 -15.272 1.00 54.41 H new ATOM 0 HB3 LYS A 44 3.500 -14.219 -14.849 1.00 54.41 H new ATOM 0 HG2 LYS A 44 4.464 -12.028 -12.980 1.00 12.42 H new ATOM 0 HG3 LYS A 44 3.147 -11.811 -14.115 1.00 12.42 H new ATOM 0 HD2 LYS A 44 1.955 -12.456 -12.238 1.00 74.33 H new ATOM 0 HD3 LYS A 44 2.194 -14.017 -12.997 1.00 74.33 H new ATOM 0 HE2 LYS A 44 3.697 -14.728 -11.404 1.00 31.43 H new ATOM 0 HE3 LYS A 44 4.377 -13.130 -11.169 1.00 31.43 H new ATOM 0 HZ1 LYS A 44 3.164 -13.806 -9.222 1.00 44.14 H new ATOM 0 HZ2 LYS A 44 2.348 -12.506 -9.949 1.00 44.14 H new ATOM 0 HZ3 LYS A 44 1.756 -14.087 -10.128 1.00 44.14 H new ATOM 533 N LYS A 45 7.355 -15.098 -14.909 1.00 52.50 N ATOM 534 CA LYS A 45 8.174 -15.838 -15.861 1.00 24.12 C ATOM 535 C LYS A 45 7.677 -15.626 -17.287 1.00 61.42 C ATOM 536 O LYS A 45 7.369 -16.585 -17.997 1.00 3.00 O ATOM 537 CB LYS A 45 8.164 -17.330 -15.522 1.00 35.42 C ATOM 538 CG LYS A 45 9.253 -17.740 -14.546 1.00 61.43 C ATOM 539 CD LYS A 45 8.876 -17.401 -13.114 1.00 33.40 C ATOM 540 CE LYS A 45 10.088 -16.964 -12.307 1.00 2.42 C ATOM 541 NZ LYS A 45 9.708 -16.488 -10.948 1.00 33.53 N ATOM 0 H LYS A 45 7.864 -14.396 -14.372 1.00 52.50 H new ATOM 0 HA LYS A 45 9.195 -15.463 -15.792 1.00 24.12 H new ATOM 0 HB2 LYS A 45 7.193 -17.592 -15.101 1.00 35.42 H new ATOM 0 HB3 LYS A 45 8.278 -17.904 -16.442 1.00 35.42 H new ATOM 0 HG2 LYS A 45 9.435 -18.811 -14.631 1.00 61.43 H new ATOM 0 HG3 LYS A 45 10.184 -17.237 -14.807 1.00 61.43 H new ATOM 0 HD2 LYS A 45 8.130 -16.606 -13.112 1.00 33.40 H new ATOM 0 HD3 LYS A 45 8.417 -18.270 -12.642 1.00 33.40 H new ATOM 0 HE2 LYS A 45 10.785 -17.798 -12.218 1.00 2.42 H new ATOM 0 HE3 LYS A 45 10.610 -16.168 -12.838 1.00 2.42 H new ATOM 0 HZ1 LYS A 45 10.515 -16.601 -10.302 1.00 33.53 H new ATOM 0 HZ2 LYS A 45 9.440 -15.484 -10.994 1.00 33.53 H new ATOM 0 HZ3 LYS A 45 8.903 -17.046 -10.597 1.00 33.53 H new ATOM 555 N LEU A 46 7.602 -14.367 -17.702 1.00 11.43 N ATOM 556 CA LEU A 46 7.143 -14.029 -19.045 1.00 24.11 C ATOM 557 C LEU A 46 8.253 -13.356 -19.846 1.00 62.11 C ATOM 558 O LEU A 46 9.230 -12.848 -19.295 1.00 20.31 O ATOM 559 CB LEU A 46 5.922 -13.111 -18.973 1.00 2.25 C ATOM 560 CG LEU A 46 4.561 -13.792 -19.114 1.00 73.22 C ATOM 561 CD1 LEU A 46 4.294 -14.705 -17.927 1.00 43.30 C ATOM 562 CD2 LEU A 46 3.456 -12.754 -19.250 1.00 23.14 C ATOM 0 H LEU A 46 7.853 -13.562 -17.128 1.00 11.43 H new ATOM 0 HA LEU A 46 6.864 -14.954 -19.550 1.00 24.11 H new ATOM 0 HB2 LEU A 46 5.945 -12.584 -18.019 1.00 2.25 H new ATOM 0 HB3 LEU A 46 6.012 -12.358 -19.756 1.00 2.25 H new ATOM 0 HG LEU A 46 4.574 -14.401 -20.018 1.00 73.22 H new ATOM 0 HD11 LEU A 46 3.320 -15.181 -18.046 1.00 43.30 H new ATOM 0 HD12 LEU A 46 5.068 -15.471 -17.875 1.00 43.30 H new ATOM 0 HD13 LEU A 46 4.302 -14.119 -17.008 1.00 43.30 H new ATOM 0 HD21 LEU A 46 2.494 -13.257 -19.349 1.00 23.14 H new ATOM 0 HD22 LEU A 46 3.443 -12.118 -18.365 1.00 23.14 H new ATOM 0 HD23 LEU A 46 3.638 -12.142 -20.133 1.00 23.14 H new ATOM 574 N PRO A 47 8.101 -13.349 -21.179 1.00 34.13 N ATOM 575 CA PRO A 47 9.079 -12.739 -22.084 1.00 54.13 C ATOM 576 C PRO A 47 9.095 -11.218 -21.980 1.00 2.31 C ATOM 577 O PRO A 47 8.144 -10.535 -22.360 1.00 12.00 O ATOM 578 CB PRO A 47 8.598 -13.175 -23.471 1.00 2.42 C ATOM 579 CG PRO A 47 7.138 -13.421 -23.306 1.00 23.13 C ATOM 580 CD PRO A 47 6.961 -13.936 -21.904 1.00 1.31 C ATOM 0 HA PRO A 47 10.098 -13.050 -21.853 1.00 54.13 H new ATOM 0 HB2 PRO A 47 8.787 -12.403 -24.216 1.00 2.42 H new ATOM 0 HB3 PRO A 47 9.116 -14.074 -23.805 1.00 2.42 H new ATOM 0 HG2 PRO A 47 6.568 -12.505 -23.460 1.00 23.13 H new ATOM 0 HG3 PRO A 47 6.779 -14.146 -24.036 1.00 23.13 H new ATOM 0 HD2 PRO A 47 6.008 -13.621 -21.478 1.00 1.31 H new ATOM 0 HD3 PRO A 47 6.981 -15.025 -21.870 1.00 1.31 H new ATOM 588 N PRO A 48 10.201 -10.672 -21.453 1.00 43.10 N ATOM 589 CA PRO A 48 10.368 -9.225 -21.288 1.00 24.05 C ATOM 590 C PRO A 48 10.530 -8.504 -22.621 1.00 55.24 C ATOM 591 O PRO A 48 10.233 -7.314 -22.735 1.00 33.35 O ATOM 592 CB PRO A 48 11.650 -9.108 -20.458 1.00 71.54 C ATOM 593 CG PRO A 48 12.408 -10.356 -20.755 1.00 71.22 C ATOM 594 CD PRO A 48 11.374 -11.425 -20.979 1.00 23.32 C ATOM 0 HA PRO A 48 9.497 -8.765 -20.820 1.00 24.05 H new ATOM 0 HB2 PRO A 48 12.222 -8.222 -20.735 1.00 71.54 H new ATOM 0 HB3 PRO A 48 11.427 -9.024 -19.394 1.00 71.54 H new ATOM 0 HG2 PRO A 48 13.037 -10.230 -21.637 1.00 71.22 H new ATOM 0 HG3 PRO A 48 13.068 -10.618 -19.928 1.00 71.22 H new ATOM 0 HD2 PRO A 48 11.706 -12.157 -21.715 1.00 23.32 H new ATOM 0 HD3 PRO A 48 11.156 -11.972 -20.062 1.00 23.32 H new ATOM 602 N ASP A 49 11.001 -9.231 -23.628 1.00 54.35 N ATOM 603 CA ASP A 49 11.200 -8.660 -24.956 1.00 33.23 C ATOM 604 C ASP A 49 9.872 -8.531 -25.696 1.00 63.03 C ATOM 605 O ASP A 49 9.708 -7.662 -26.553 1.00 44.22 O ATOM 606 CB ASP A 49 12.168 -9.524 -25.766 1.00 32.04 C ATOM 607 CG ASP A 49 13.617 -9.153 -25.522 1.00 44.31 C ATOM 608 OD1 ASP A 49 13.911 -8.575 -24.455 1.00 11.35 O ATOM 609 OD2 ASP A 49 14.458 -9.441 -26.399 1.00 4.12 O ATOM 0 H ASP A 49 11.252 -10.217 -23.551 1.00 54.35 H new ATOM 0 HA ASP A 49 11.627 -7.664 -24.837 1.00 33.23 H new ATOM 0 HB2 ASP A 49 12.016 -10.573 -25.510 1.00 32.04 H new ATOM 0 HB3 ASP A 49 11.943 -9.419 -26.827 1.00 32.04 H new ATOM 614 N THR A 50 8.926 -9.403 -25.361 1.00 40.32 N ATOM 615 CA THR A 50 7.614 -9.388 -25.995 1.00 51.04 C ATOM 616 C THR A 50 6.523 -9.029 -24.993 1.00 51.33 C ATOM 617 O THR A 50 5.471 -9.667 -24.949 1.00 74.01 O ATOM 618 CB THR A 50 7.282 -10.751 -26.632 1.00 21.04 C ATOM 619 OG1 THR A 50 6.952 -11.700 -25.612 1.00 22.43 O ATOM 620 CG2 THR A 50 8.456 -11.266 -27.450 1.00 62.14 C ATOM 0 H THR A 50 9.044 -10.129 -24.654 1.00 40.32 H new ATOM 0 HA THR A 50 7.650 -8.629 -26.777 1.00 51.04 H new ATOM 0 HB THR A 50 6.427 -10.619 -27.296 1.00 21.04 H new ATOM 0 HG1 THR A 50 6.081 -11.474 -25.224 1.00 22.43 H new ATOM 0 HG21 THR A 50 8.198 -12.229 -27.890 1.00 62.14 H new ATOM 0 HG22 THR A 50 8.687 -10.555 -28.243 1.00 62.14 H new ATOM 0 HG23 THR A 50 9.326 -11.383 -26.804 1.00 62.14 H new ATOM 628 N THR A 51 6.779 -8.002 -24.189 1.00 3.31 N ATOM 629 CA THR A 51 5.819 -7.558 -23.187 1.00 0.54 C ATOM 630 C THR A 51 5.817 -6.038 -23.062 1.00 71.24 C ATOM 631 O THR A 51 6.870 -5.401 -23.101 1.00 31.45 O ATOM 632 CB THR A 51 6.121 -8.174 -21.807 1.00 50.45 C ATOM 633 OG1 THR A 51 4.989 -8.020 -20.944 1.00 71.40 O ATOM 634 CG2 THR A 51 7.339 -7.516 -21.176 1.00 62.53 C ATOM 0 H THR A 51 7.644 -7.462 -24.213 1.00 3.31 H new ATOM 0 HA THR A 51 4.837 -7.894 -23.520 1.00 0.54 H new ATOM 0 HB THR A 51 6.331 -9.235 -21.945 1.00 50.45 H new ATOM 0 HG1 THR A 51 5.188 -8.415 -20.070 1.00 71.40 H new ATOM 0 HG21 THR A 51 7.533 -7.967 -20.203 1.00 62.53 H new ATOM 0 HG22 THR A 51 8.205 -7.660 -21.822 1.00 62.53 H new ATOM 0 HG23 THR A 51 7.152 -6.449 -21.051 1.00 62.53 H new ATOM 642 N ARG A 52 4.628 -5.463 -22.913 1.00 22.00 N ATOM 643 CA ARG A 52 4.490 -4.017 -22.784 1.00 32.55 C ATOM 644 C ARG A 52 3.492 -3.663 -21.684 1.00 64.14 C ATOM 645 O ARG A 52 2.417 -4.256 -21.593 1.00 33.15 O ATOM 646 CB ARG A 52 4.040 -3.406 -24.112 1.00 0.23 C ATOM 647 CG ARG A 52 4.848 -3.884 -25.307 1.00 72.20 C ATOM 648 CD ARG A 52 6.274 -3.358 -25.262 1.00 52.14 C ATOM 649 NE ARG A 52 7.192 -4.200 -26.025 1.00 0.42 N ATOM 650 CZ ARG A 52 8.412 -3.818 -26.385 1.00 3.54 C ATOM 651 NH1 ARG A 52 8.859 -2.614 -26.053 1.00 33.15 N ATOM 652 NH2 ARG A 52 9.189 -4.640 -27.078 1.00 21.34 N ATOM 0 H ARG A 52 3.747 -5.976 -22.879 1.00 22.00 H new ATOM 0 HA ARG A 52 5.463 -3.606 -22.515 1.00 32.55 H new ATOM 0 HB2 ARG A 52 2.989 -3.646 -24.275 1.00 0.23 H new ATOM 0 HB3 ARG A 52 4.112 -2.320 -24.046 1.00 0.23 H new ATOM 0 HG2 ARG A 52 4.862 -4.974 -25.326 1.00 72.20 H new ATOM 0 HG3 ARG A 52 4.367 -3.555 -26.228 1.00 72.20 H new ATOM 0 HD2 ARG A 52 6.299 -2.343 -25.658 1.00 52.14 H new ATOM 0 HD3 ARG A 52 6.608 -3.304 -24.226 1.00 52.14 H new ATOM 0 HE ARG A 52 6.879 -5.132 -26.296 1.00 0.42 H new ATOM 0 HH11 ARG A 52 8.265 -1.979 -25.520 1.00 33.15 H new ATOM 0 HH12 ARG A 52 9.796 -2.324 -26.331 1.00 33.15 H new ATOM 0 HH21 ARG A 52 8.850 -5.567 -27.335 1.00 21.34 H new ATOM 0 HH22 ARG A 52 10.126 -4.345 -27.354 1.00 21.34 H new ATOM 666 N LEU A 53 3.857 -2.694 -20.853 1.00 14.54 N ATOM 667 CA LEU A 53 2.994 -2.260 -19.759 1.00 3.23 C ATOM 668 C LEU A 53 2.489 -0.840 -19.994 1.00 32.11 C ATOM 669 O LEU A 53 3.255 0.052 -20.360 1.00 24.50 O ATOM 670 CB LEU A 53 3.748 -2.331 -18.430 1.00 23.33 C ATOM 671 CG LEU A 53 3.307 -1.339 -17.353 1.00 41.35 C ATOM 672 CD1 LEU A 53 1.857 -1.582 -16.965 1.00 22.54 C ATOM 673 CD2 LEU A 53 4.212 -1.437 -16.134 1.00 60.10 C ATOM 0 H LEU A 53 4.744 -2.194 -20.915 1.00 14.54 H new ATOM 0 HA LEU A 53 2.135 -2.930 -19.719 1.00 3.23 H new ATOM 0 HB2 LEU A 53 3.645 -3.340 -18.030 1.00 23.33 H new ATOM 0 HB3 LEU A 53 4.808 -2.174 -18.628 1.00 23.33 H new ATOM 0 HG LEU A 53 3.388 -0.331 -17.760 1.00 41.35 H new ATOM 0 HD11 LEU A 53 1.561 -0.867 -16.198 1.00 22.54 H new ATOM 0 HD12 LEU A 53 1.220 -1.459 -17.841 1.00 22.54 H new ATOM 0 HD13 LEU A 53 1.749 -2.595 -16.578 1.00 22.54 H new ATOM 0 HD21 LEU A 53 3.883 -0.724 -15.378 1.00 60.10 H new ATOM 0 HD22 LEU A 53 4.164 -2.446 -15.726 1.00 60.10 H new ATOM 0 HD23 LEU A 53 5.238 -1.211 -16.424 1.00 60.10 H new ATOM 685 N THR A 54 1.193 -0.636 -19.779 1.00 53.43 N ATOM 686 CA THR A 54 0.585 0.676 -19.967 1.00 35.53 C ATOM 687 C THR A 54 -0.186 1.107 -18.724 1.00 61.11 C ATOM 688 O THR A 54 -0.860 0.297 -18.087 1.00 62.33 O ATOM 689 CB THR A 54 -0.368 0.685 -21.177 1.00 35.02 C ATOM 690 OG1 THR A 54 -0.214 -0.522 -21.932 1.00 3.13 O ATOM 691 CG2 THR A 54 -0.097 1.886 -22.070 1.00 11.10 C ATOM 0 H THR A 54 0.544 -1.362 -19.475 1.00 53.43 H new ATOM 0 HA THR A 54 1.398 1.379 -20.149 1.00 35.53 H new ATOM 0 HB THR A 54 -1.390 0.752 -20.805 1.00 35.02 H new ATOM 0 HG1 THR A 54 -0.825 -0.509 -22.698 1.00 3.13 H new ATOM 0 HG21 THR A 54 -0.782 1.871 -22.918 1.00 11.10 H new ATOM 0 HG22 THR A 54 -0.245 2.804 -21.500 1.00 11.10 H new ATOM 0 HG23 THR A 54 0.930 1.845 -22.433 1.00 11.10 H new ATOM 699 N TYR A 55 -0.083 2.387 -18.385 1.00 22.14 N ATOM 700 CA TYR A 55 -0.769 2.926 -17.216 1.00 71.54 C ATOM 701 C TYR A 55 -1.606 4.145 -17.590 1.00 41.23 C ATOM 702 O TYR A 55 -1.109 5.090 -18.204 1.00 32.11 O ATOM 703 CB TYR A 55 0.243 3.300 -16.132 1.00 54.31 C ATOM 704 CG TYR A 55 -0.371 4.026 -14.956 1.00 42.54 C ATOM 705 CD1 TYR A 55 -1.569 3.598 -14.399 1.00 32.14 C ATOM 706 CD2 TYR A 55 0.247 5.142 -14.404 1.00 31.51 C ATOM 707 CE1 TYR A 55 -2.134 4.259 -13.325 1.00 20.52 C ATOM 708 CE2 TYR A 55 -0.310 5.807 -13.329 1.00 43.42 C ATOM 709 CZ TYR A 55 -1.500 5.362 -12.793 1.00 52.44 C ATOM 710 OH TYR A 55 -2.059 6.024 -11.724 1.00 23.13 O ATOM 0 H TYR A 55 0.469 3.071 -18.903 1.00 22.14 H new ATOM 0 HA TYR A 55 -1.436 2.155 -16.830 1.00 71.54 H new ATOM 0 HB2 TYR A 55 0.731 2.394 -15.774 1.00 54.31 H new ATOM 0 HB3 TYR A 55 1.018 3.928 -16.571 1.00 54.31 H new ATOM 0 HD1 TYR A 55 -2.068 2.734 -14.812 1.00 32.14 H new ATOM 0 HD2 TYR A 55 1.178 5.495 -14.822 1.00 31.51 H new ATOM 0 HE1 TYR A 55 -3.067 3.914 -12.905 1.00 20.52 H new ATOM 0 HE2 TYR A 55 0.184 6.671 -12.910 1.00 43.42 H new ATOM 0 HH TYR A 55 -2.058 5.437 -10.939 1.00 23.13 H new ATOM 720 N LYS A 56 -2.880 4.118 -17.215 1.00 73.42 N ATOM 721 CA LYS A 56 -3.789 5.220 -17.508 1.00 5.12 C ATOM 722 C LYS A 56 -3.813 5.522 -19.003 1.00 13.43 C ATOM 723 O LYS A 56 -3.961 6.674 -19.411 1.00 30.44 O ATOM 724 CB LYS A 56 -3.372 6.471 -16.731 1.00 33.15 C ATOM 725 CG LYS A 56 -4.546 7.293 -16.228 1.00 52.51 C ATOM 726 CD LYS A 56 -4.868 8.440 -17.172 1.00 1.23 C ATOM 727 CE LYS A 56 -6.214 8.241 -17.852 1.00 44.22 C ATOM 728 NZ LYS A 56 -6.366 9.117 -19.047 1.00 10.22 N ATOM 0 H LYS A 56 -3.307 3.344 -16.707 1.00 73.42 H new ATOM 0 HA LYS A 56 -4.791 4.924 -17.199 1.00 5.12 H new ATOM 0 HB2 LYS A 56 -2.757 6.173 -15.882 1.00 33.15 H new ATOM 0 HB3 LYS A 56 -2.749 7.096 -17.371 1.00 33.15 H new ATOM 0 HG2 LYS A 56 -5.421 6.652 -16.121 1.00 52.51 H new ATOM 0 HG3 LYS A 56 -4.317 7.688 -15.238 1.00 52.51 H new ATOM 0 HD2 LYS A 56 -4.875 9.378 -16.617 1.00 1.23 H new ATOM 0 HD3 LYS A 56 -4.086 8.522 -17.927 1.00 1.23 H new ATOM 0 HE2 LYS A 56 -6.320 7.198 -18.150 1.00 44.22 H new ATOM 0 HE3 LYS A 56 -7.014 8.452 -17.143 1.00 44.22 H new ATOM 0 HZ1 LYS A 56 -7.296 8.952 -19.482 1.00 10.22 H new ATOM 0 HZ2 LYS A 56 -6.291 10.113 -18.759 1.00 10.22 H new ATOM 0 HZ3 LYS A 56 -5.618 8.898 -19.735 1.00 10.22 H new ATOM 742 N GLY A 57 -3.669 4.480 -19.815 1.00 71.04 N ATOM 743 CA GLY A 57 -3.679 4.655 -21.256 1.00 12.50 C ATOM 744 C GLY A 57 -2.428 5.342 -21.765 1.00 45.32 C ATOM 745 O GLY A 57 -2.385 5.805 -22.905 1.00 73.44 O ATOM 0 H GLY A 57 -3.546 3.517 -19.501 1.00 71.04 H new ATOM 0 HA2 GLY A 57 -3.776 3.681 -21.736 1.00 12.50 H new ATOM 0 HA3 GLY A 57 -4.553 5.240 -21.542 1.00 12.50 H new ATOM 749 N ARG A 58 -1.406 5.411 -20.918 1.00 62.10 N ATOM 750 CA ARG A 58 -0.148 6.049 -21.288 1.00 13.12 C ATOM 751 C ARG A 58 1.016 5.072 -21.156 1.00 45.22 C ATOM 752 O ARG A 58 0.974 4.146 -20.347 1.00 4.33 O ATOM 753 CB ARG A 58 0.101 7.278 -20.412 1.00 5.12 C ATOM 754 CG ARG A 58 0.551 8.502 -21.193 1.00 65.31 C ATOM 755 CD ARG A 58 -0.594 9.479 -21.405 1.00 43.53 C ATOM 756 NE ARG A 58 -0.688 10.455 -20.323 1.00 0.32 N ATOM 757 CZ ARG A 58 -1.639 11.380 -20.248 1.00 23.14 C ATOM 758 NH1 ARG A 58 -2.572 11.454 -21.187 1.00 21.15 N ATOM 759 NH2 ARG A 58 -1.657 12.233 -19.231 1.00 75.23 N ATOM 0 H ARG A 58 -1.424 5.033 -19.971 1.00 62.10 H new ATOM 0 HA ARG A 58 -0.220 6.362 -22.330 1.00 13.12 H new ATOM 0 HB2 ARG A 58 -0.814 7.519 -19.871 1.00 5.12 H new ATOM 0 HB3 ARG A 58 0.858 7.035 -19.666 1.00 5.12 H new ATOM 0 HG2 ARG A 58 1.360 8.999 -20.658 1.00 65.31 H new ATOM 0 HG3 ARG A 58 0.950 8.192 -22.159 1.00 65.31 H new ATOM 0 HD2 ARG A 58 -0.455 10.000 -22.352 1.00 43.53 H new ATOM 0 HD3 ARG A 58 -1.532 8.928 -21.479 1.00 43.53 H new ATOM 0 HE ARG A 58 0.015 10.425 -19.584 1.00 0.32 H new ATOM 0 HH11 ARG A 58 -2.561 10.800 -21.970 1.00 21.15 H new ATOM 0 HH12 ARG A 58 -3.301 12.165 -21.127 1.00 21.15 H new ATOM 0 HH21 ARG A 58 -0.941 12.178 -18.507 1.00 75.23 H new ATOM 0 HH22 ARG A 58 -2.387 12.943 -19.174 1.00 75.23 H new ATOM 773 N ALA A 59 2.055 5.286 -21.958 1.00 75.32 N ATOM 774 CA ALA A 59 3.231 4.425 -21.930 1.00 51.53 C ATOM 775 C ALA A 59 4.390 5.103 -21.207 1.00 15.15 C ATOM 776 O ALA A 59 4.867 6.157 -21.629 1.00 4.14 O ATOM 777 CB ALA A 59 3.640 4.045 -23.346 1.00 3.25 C ATOM 0 H ALA A 59 2.106 6.048 -22.634 1.00 75.32 H new ATOM 0 HA ALA A 59 2.975 3.519 -21.381 1.00 51.53 H new ATOM 0 HB1 ALA A 59 4.519 3.402 -23.311 1.00 3.25 H new ATOM 0 HB2 ALA A 59 2.821 3.514 -23.831 1.00 3.25 H new ATOM 0 HB3 ALA A 59 3.873 4.947 -23.912 1.00 3.25 H new ATOM 783 N LEU A 60 4.837 4.493 -20.115 1.00 33.14 N ATOM 784 CA LEU A 60 5.940 5.038 -19.331 1.00 31.00 C ATOM 785 C LEU A 60 7.173 4.147 -19.434 1.00 23.54 C ATOM 786 O LEU A 60 7.065 2.943 -19.670 1.00 43.10 O ATOM 787 CB LEU A 60 5.526 5.188 -17.866 1.00 55.12 C ATOM 788 CG LEU A 60 4.220 5.943 -17.612 1.00 21.31 C ATOM 789 CD1 LEU A 60 3.435 5.287 -16.486 1.00 5.51 C ATOM 790 CD2 LEU A 60 4.502 7.403 -17.288 1.00 64.44 C ATOM 0 H LEU A 60 4.453 3.621 -19.752 1.00 33.14 H new ATOM 0 HA LEU A 60 6.189 6.020 -19.734 1.00 31.00 H new ATOM 0 HB2 LEU A 60 5.438 4.193 -17.430 1.00 55.12 H new ATOM 0 HB3 LEU A 60 6.328 5.699 -17.333 1.00 55.12 H new ATOM 0 HG LEU A 60 3.617 5.903 -18.519 1.00 21.31 H new ATOM 0 HD11 LEU A 60 2.509 5.837 -16.319 1.00 5.51 H new ATOM 0 HD12 LEU A 60 3.201 4.257 -16.757 1.00 5.51 H new ATOM 0 HD13 LEU A 60 4.031 5.295 -15.574 1.00 5.51 H new ATOM 0 HD21 LEU A 60 3.561 7.924 -17.110 1.00 64.44 H new ATOM 0 HD22 LEU A 60 5.125 7.464 -16.396 1.00 64.44 H new ATOM 0 HD23 LEU A 60 5.022 7.868 -18.126 1.00 64.44 H new ATOM 802 N LYS A 61 8.346 4.745 -19.252 1.00 71.42 N ATOM 803 CA LYS A 61 9.601 4.006 -19.321 1.00 31.44 C ATOM 804 C LYS A 61 10.739 4.806 -18.695 1.00 54.41 C ATOM 805 O LYS A 61 11.164 4.527 -17.574 1.00 32.10 O ATOM 806 CB LYS A 61 9.940 3.668 -20.774 1.00 54.54 C ATOM 807 CG LYS A 61 11.324 3.070 -20.953 1.00 41.14 C ATOM 808 CD LYS A 61 11.403 2.212 -22.205 1.00 22.22 C ATOM 809 CE LYS A 61 10.649 0.902 -22.031 1.00 3.30 C ATOM 810 NZ LYS A 61 11.145 -0.151 -22.960 1.00 4.24 N ATOM 0 H LYS A 61 8.453 5.740 -19.055 1.00 71.42 H new ATOM 0 HA LYS A 61 9.479 3.080 -18.759 1.00 31.44 H new ATOM 0 HB2 LYS A 61 9.198 2.967 -21.158 1.00 54.54 H new ATOM 0 HB3 LYS A 61 9.864 4.574 -21.376 1.00 54.54 H new ATOM 0 HG2 LYS A 61 12.062 3.870 -21.012 1.00 41.14 H new ATOM 0 HG3 LYS A 61 11.576 2.467 -20.081 1.00 41.14 H new ATOM 0 HD2 LYS A 61 10.990 2.762 -23.051 1.00 22.22 H new ATOM 0 HD3 LYS A 61 12.447 2.004 -22.440 1.00 22.22 H new ATOM 0 HE2 LYS A 61 10.753 0.557 -21.002 1.00 3.30 H new ATOM 0 HE3 LYS A 61 9.586 1.069 -22.205 1.00 3.30 H new ATOM 0 HZ1 LYS A 61 10.606 -1.028 -22.810 1.00 4.24 H new ATOM 0 HZ2 LYS A 61 11.023 0.167 -23.943 1.00 4.24 H new ATOM 0 HZ3 LYS A 61 12.153 -0.329 -22.777 1.00 4.24 H new ATOM 824 N ASP A 62 11.226 5.803 -19.426 1.00 31.12 N ATOM 825 CA ASP A 62 12.313 6.646 -18.941 1.00 54.13 C ATOM 826 C ASP A 62 11.806 7.642 -17.902 1.00 62.43 C ATOM 827 O ASP A 62 12.588 8.375 -17.295 1.00 71.43 O ATOM 828 CB ASP A 62 12.965 7.393 -20.106 1.00 24.24 C ATOM 829 CG ASP A 62 14.340 6.850 -20.444 1.00 0.15 C ATOM 830 OD1 ASP A 62 15.224 6.885 -19.563 1.00 3.33 O ATOM 831 OD2 ASP A 62 14.532 6.391 -21.589 1.00 71.21 O ATOM 0 H ASP A 62 10.886 6.047 -20.356 1.00 31.12 H new ATOM 0 HA ASP A 62 13.056 6.003 -18.469 1.00 54.13 H new ATOM 0 HB2 ASP A 62 12.323 7.322 -20.984 1.00 24.24 H new ATOM 0 HB3 ASP A 62 13.047 8.451 -19.856 1.00 24.24 H new ATOM 836 N THR A 63 10.492 7.664 -17.702 1.00 70.25 N ATOM 837 CA THR A 63 9.881 8.571 -16.739 1.00 74.42 C ATOM 838 C THR A 63 10.435 8.340 -15.338 1.00 62.21 C ATOM 839 O THR A 63 10.328 9.204 -14.469 1.00 30.12 O ATOM 840 CB THR A 63 8.349 8.406 -16.706 1.00 44.13 C ATOM 841 OG1 THR A 63 7.853 8.175 -18.029 1.00 60.44 O ATOM 842 CG2 THR A 63 7.685 9.642 -16.119 1.00 51.11 C ATOM 0 H THR A 63 9.831 7.064 -18.194 1.00 70.25 H new ATOM 0 HA THR A 63 10.124 9.584 -17.061 1.00 74.42 H new ATOM 0 HB THR A 63 8.111 7.550 -16.074 1.00 44.13 H new ATOM 0 HG1 THR A 63 7.108 8.786 -18.210 1.00 60.44 H new ATOM 0 HG21 THR A 63 6.604 9.503 -16.106 1.00 51.11 H new ATOM 0 HG22 THR A 63 8.043 9.799 -15.102 1.00 51.11 H new ATOM 0 HG23 THR A 63 7.931 10.511 -16.728 1.00 51.11 H new ATOM 850 N GLU A 64 11.029 7.169 -15.127 1.00 15.11 N ATOM 851 CA GLU A 64 11.600 6.826 -13.830 1.00 11.01 C ATOM 852 C GLU A 64 10.511 6.723 -12.766 1.00 0.33 C ATOM 853 O GLU A 64 10.062 5.629 -12.423 1.00 72.14 O ATOM 854 CB GLU A 64 12.639 7.869 -13.413 1.00 53.43 C ATOM 855 CG GLU A 64 14.074 7.401 -13.583 1.00 60.24 C ATOM 856 CD GLU A 64 15.015 8.023 -12.570 1.00 32.01 C ATOM 857 OE1 GLU A 64 14.753 9.167 -12.143 1.00 20.05 O ATOM 858 OE2 GLU A 64 16.012 7.367 -12.204 1.00 63.24 O ATOM 0 H GLU A 64 11.127 6.443 -15.837 1.00 15.11 H new ATOM 0 HA GLU A 64 12.087 5.855 -13.922 1.00 11.01 H new ATOM 0 HB2 GLU A 64 12.489 8.774 -14.001 1.00 53.43 H new ATOM 0 HB3 GLU A 64 12.474 8.136 -12.369 1.00 53.43 H new ATOM 0 HG2 GLU A 64 14.112 6.316 -13.489 1.00 60.24 H new ATOM 0 HG3 GLU A 64 14.415 7.646 -14.589 1.00 60.24 H new ATOM 865 N THR A 65 10.091 7.872 -12.245 1.00 33.14 N ATOM 866 CA THR A 65 9.057 7.913 -11.219 1.00 35.45 C ATOM 867 C THR A 65 7.713 8.327 -11.808 1.00 61.40 C ATOM 868 O THR A 65 7.653 8.932 -12.879 1.00 5.31 O ATOM 869 CB THR A 65 9.429 8.886 -10.084 1.00 55.23 C ATOM 870 OG1 THR A 65 9.343 10.237 -10.551 1.00 3.42 O ATOM 871 CG2 THR A 65 10.834 8.609 -9.572 1.00 71.23 C ATOM 0 H THR A 65 10.451 8.787 -12.517 1.00 33.14 H new ATOM 0 HA THR A 65 8.977 6.905 -10.812 1.00 35.45 H new ATOM 0 HB THR A 65 8.726 8.740 -9.264 1.00 55.23 H new ATOM 0 HG1 THR A 65 9.579 10.850 -9.824 1.00 3.42 H new ATOM 0 HG21 THR A 65 11.074 9.309 -8.771 1.00 71.23 H new ATOM 0 HG22 THR A 65 10.888 7.589 -9.191 1.00 71.23 H new ATOM 0 HG23 THR A 65 11.548 8.731 -10.386 1.00 71.23 H new ATOM 879 N LEU A 66 6.636 7.997 -11.103 1.00 44.31 N ATOM 880 CA LEU A 66 5.292 8.336 -11.557 1.00 11.14 C ATOM 881 C LEU A 66 4.617 9.300 -10.586 1.00 53.24 C ATOM 882 O LEU A 66 3.533 9.815 -10.862 1.00 24.23 O ATOM 883 CB LEU A 66 4.448 7.069 -11.704 1.00 72.14 C ATOM 884 CG LEU A 66 5.070 5.940 -12.527 1.00 23.03 C ATOM 885 CD1 LEU A 66 4.102 4.774 -12.652 1.00 53.21 C ATOM 886 CD2 LEU A 66 5.480 6.446 -13.902 1.00 62.52 C ATOM 0 H LEU A 66 6.667 7.495 -10.215 1.00 44.31 H new ATOM 0 HA LEU A 66 5.375 8.825 -12.528 1.00 11.14 H new ATOM 0 HB2 LEU A 66 4.227 6.686 -10.708 1.00 72.14 H new ATOM 0 HB3 LEU A 66 3.496 7.342 -12.159 1.00 72.14 H new ATOM 0 HG LEU A 66 5.963 5.589 -12.010 1.00 23.03 H new ATOM 0 HD11 LEU A 66 4.562 3.981 -13.241 1.00 53.21 H new ATOM 0 HD12 LEU A 66 3.859 4.395 -11.659 1.00 53.21 H new ATOM 0 HD13 LEU A 66 3.190 5.110 -13.146 1.00 53.21 H new ATOM 0 HD21 LEU A 66 5.921 5.629 -14.474 1.00 62.52 H new ATOM 0 HD22 LEU A 66 4.603 6.824 -14.427 1.00 62.52 H new ATOM 0 HD23 LEU A 66 6.211 7.247 -13.792 1.00 62.52 H new ATOM 898 N GLU A 67 5.266 9.541 -9.452 1.00 12.05 N ATOM 899 CA GLU A 67 4.728 10.445 -8.442 1.00 32.14 C ATOM 900 C GLU A 67 4.503 11.838 -9.023 1.00 35.23 C ATOM 901 O GLU A 67 3.490 12.481 -8.746 1.00 41.12 O ATOM 902 CB GLU A 67 5.675 10.527 -7.243 1.00 11.53 C ATOM 903 CG GLU A 67 5.007 10.207 -5.916 1.00 52.31 C ATOM 904 CD GLU A 67 4.638 11.452 -5.133 1.00 2.40 C ATOM 905 OE1 GLU A 67 5.556 12.119 -4.612 1.00 11.44 O ATOM 906 OE2 GLU A 67 3.431 11.760 -5.042 1.00 60.41 O ATOM 0 H GLU A 67 6.164 9.123 -9.209 1.00 12.05 H new ATOM 0 HA GLU A 67 3.768 10.049 -8.111 1.00 32.14 H new ATOM 0 HB2 GLU A 67 6.504 9.837 -7.398 1.00 11.53 H new ATOM 0 HB3 GLU A 67 6.099 11.530 -7.194 1.00 11.53 H new ATOM 0 HG2 GLU A 67 4.108 9.618 -6.099 1.00 52.31 H new ATOM 0 HG3 GLU A 67 5.676 9.590 -5.316 1.00 52.31 H new ATOM 913 N SER A 68 5.454 12.297 -9.829 1.00 2.21 N ATOM 914 CA SER A 68 5.363 13.615 -10.446 1.00 13.31 C ATOM 915 C SER A 68 4.185 13.681 -11.414 1.00 4.50 C ATOM 916 O SER A 68 3.759 14.764 -11.818 1.00 53.01 O ATOM 917 CB SER A 68 6.662 13.948 -11.182 1.00 10.52 C ATOM 918 OG SER A 68 7.391 14.954 -10.499 1.00 64.43 O ATOM 0 H SER A 68 6.297 11.776 -10.070 1.00 2.21 H new ATOM 0 HA SER A 68 5.204 14.349 -9.656 1.00 13.31 H new ATOM 0 HB2 SER A 68 7.273 13.050 -11.273 1.00 10.52 H new ATOM 0 HB3 SER A 68 6.435 14.283 -12.194 1.00 10.52 H new ATOM 0 HG SER A 68 8.218 15.148 -10.988 1.00 64.43 H new ATOM 924 N LEU A 69 3.664 12.516 -11.782 1.00 44.32 N ATOM 925 CA LEU A 69 2.536 12.440 -12.703 1.00 74.31 C ATOM 926 C LEU A 69 1.227 12.237 -11.945 1.00 64.14 C ATOM 927 O LEU A 69 0.143 12.405 -12.502 1.00 43.10 O ATOM 928 CB LEU A 69 2.742 11.299 -13.701 1.00 25.22 C ATOM 929 CG LEU A 69 3.553 11.640 -14.952 1.00 22.34 C ATOM 930 CD1 LEU A 69 4.870 12.298 -14.571 1.00 64.20 C ATOM 931 CD2 LEU A 69 3.800 10.390 -15.784 1.00 42.11 C ATOM 0 H LEU A 69 4.005 11.611 -11.457 1.00 44.32 H new ATOM 0 HA LEU A 69 2.478 13.383 -13.246 1.00 74.31 H new ATOM 0 HB2 LEU A 69 3.237 10.476 -13.185 1.00 25.22 H new ATOM 0 HB3 LEU A 69 1.763 10.936 -14.015 1.00 25.22 H new ATOM 0 HG LEU A 69 2.979 12.345 -15.553 1.00 22.34 H new ATOM 0 HD11 LEU A 69 5.434 12.534 -15.474 1.00 64.20 H new ATOM 0 HD12 LEU A 69 4.671 13.216 -14.017 1.00 64.20 H new ATOM 0 HD13 LEU A 69 5.450 11.617 -13.948 1.00 64.20 H new ATOM 0 HD21 LEU A 69 4.378 10.651 -16.670 1.00 42.11 H new ATOM 0 HD22 LEU A 69 4.353 9.662 -15.191 1.00 42.11 H new ATOM 0 HD23 LEU A 69 2.845 9.960 -16.087 1.00 42.11 H new ATOM 943 N GLY A 70 1.338 11.876 -10.670 1.00 54.23 N ATOM 944 CA GLY A 70 0.156 11.659 -9.856 1.00 61.42 C ATOM 945 C GLY A 70 -0.185 10.189 -9.710 1.00 63.21 C ATOM 946 O GLY A 70 -1.316 9.777 -9.969 1.00 42.54 O ATOM 0 H GLY A 70 2.224 11.730 -10.187 1.00 54.23 H new ATOM 0 HA2 GLY A 70 0.314 12.092 -8.868 1.00 61.42 H new ATOM 0 HA3 GLY A 70 -0.690 12.183 -10.302 1.00 61.42 H new ATOM 950 N VAL A 71 0.796 9.394 -9.295 1.00 64.21 N ATOM 951 CA VAL A 71 0.595 7.961 -9.116 1.00 22.14 C ATOM 952 C VAL A 71 0.166 7.641 -7.688 1.00 63.21 C ATOM 953 O VAL A 71 0.653 8.245 -6.733 1.00 14.22 O ATOM 954 CB VAL A 71 1.874 7.169 -9.446 1.00 22.24 C ATOM 955 CG1 VAL A 71 2.960 7.457 -8.420 1.00 63.13 C ATOM 956 CG2 VAL A 71 1.575 5.679 -9.513 1.00 61.22 C ATOM 0 H VAL A 71 1.738 9.718 -9.076 1.00 64.21 H new ATOM 0 HA VAL A 71 -0.195 7.663 -9.805 1.00 22.14 H new ATOM 0 HB VAL A 71 2.236 7.488 -10.423 1.00 22.24 H new ATOM 0 HG11 VAL A 71 3.856 6.889 -8.669 1.00 63.13 H new ATOM 0 HG12 VAL A 71 3.192 8.522 -8.425 1.00 63.13 H new ATOM 0 HG13 VAL A 71 2.611 7.167 -7.429 1.00 63.13 H new ATOM 0 HG21 VAL A 71 2.490 5.135 -9.747 1.00 61.22 H new ATOM 0 HG22 VAL A 71 1.188 5.342 -8.551 1.00 61.22 H new ATOM 0 HG23 VAL A 71 0.833 5.491 -10.289 1.00 61.22 H new ATOM 966 N ALA A 72 -0.747 6.686 -7.551 1.00 34.43 N ATOM 967 CA ALA A 72 -1.240 6.283 -6.239 1.00 73.14 C ATOM 968 C ALA A 72 -1.184 4.768 -6.073 1.00 53.13 C ATOM 969 O ALA A 72 -1.352 4.022 -7.038 1.00 30.30 O ATOM 970 CB ALA A 72 -2.661 6.786 -6.032 1.00 51.32 C ATOM 0 H ALA A 72 -1.161 6.177 -8.332 1.00 34.43 H new ATOM 0 HA ALA A 72 -0.594 6.729 -5.483 1.00 73.14 H new ATOM 0 HB1 ALA A 72 -3.016 6.478 -5.049 1.00 51.32 H new ATOM 0 HB2 ALA A 72 -2.675 7.874 -6.099 1.00 51.32 H new ATOM 0 HB3 ALA A 72 -3.311 6.367 -6.800 1.00 51.32 H new ATOM 976 N ASP A 73 -0.947 4.321 -4.845 1.00 61.33 N ATOM 977 CA ASP A 73 -0.869 2.894 -4.553 1.00 0.11 C ATOM 978 C ASP A 73 -2.228 2.227 -4.737 1.00 72.45 C ATOM 979 O ASP A 73 -3.269 2.840 -4.506 1.00 50.30 O ATOM 980 CB ASP A 73 -0.367 2.671 -3.126 1.00 21.05 C ATOM 981 CG ASP A 73 0.998 3.288 -2.889 1.00 33.52 C ATOM 982 OD1 ASP A 73 1.115 4.526 -2.993 1.00 52.21 O ATOM 983 OD2 ASP A 73 1.949 2.531 -2.600 1.00 51.20 O ATOM 0 H ASP A 73 -0.806 4.926 -4.036 1.00 61.33 H new ATOM 0 HA ASP A 73 -0.165 2.443 -5.252 1.00 0.11 H new ATOM 0 HB2 ASP A 73 -1.082 3.096 -2.422 1.00 21.05 H new ATOM 0 HB3 ASP A 73 -0.319 1.601 -2.924 1.00 21.05 H new ATOM 988 N GLY A 74 -2.210 0.965 -5.157 1.00 54.02 N ATOM 989 CA GLY A 74 -3.447 0.236 -5.367 1.00 73.40 C ATOM 990 C GLY A 74 -4.075 0.535 -6.714 1.00 34.42 C ATOM 991 O GLY A 74 -5.281 0.363 -6.896 1.00 62.40 O ATOM 0 H GLY A 74 -1.361 0.435 -5.355 1.00 54.02 H new ATOM 0 HA2 GLY A 74 -3.252 -0.834 -5.290 1.00 73.40 H new ATOM 0 HA3 GLY A 74 -4.153 0.489 -4.576 1.00 73.40 H new ATOM 995 N ASP A 75 -3.258 0.985 -7.659 1.00 61.00 N ATOM 996 CA ASP A 75 -3.741 1.310 -8.996 1.00 64.43 C ATOM 997 C ASP A 75 -3.929 0.045 -9.828 1.00 20.41 C ATOM 998 O ASP A 75 -3.864 -1.069 -9.307 1.00 62.35 O ATOM 999 CB ASP A 75 -2.765 2.256 -9.698 1.00 60.41 C ATOM 1000 CG ASP A 75 -3.436 3.528 -10.178 1.00 20.41 C ATOM 1001 OD1 ASP A 75 -4.337 3.435 -11.038 1.00 14.43 O ATOM 1002 OD2 ASP A 75 -3.060 4.615 -9.693 1.00 54.21 O ATOM 0 H ASP A 75 -2.258 1.133 -7.524 1.00 61.00 H new ATOM 0 HA ASP A 75 -4.707 1.805 -8.896 1.00 64.43 H new ATOM 0 HB2 ASP A 75 -1.956 2.511 -9.014 1.00 60.41 H new ATOM 0 HB3 ASP A 75 -2.314 1.743 -10.548 1.00 60.41 H new ATOM 1007 N LYS A 76 -4.164 0.224 -11.123 1.00 72.13 N ATOM 1008 CA LYS A 76 -4.362 -0.902 -12.028 1.00 52.25 C ATOM 1009 C LYS A 76 -3.473 -0.772 -13.261 1.00 51.11 C ATOM 1010 O LYS A 76 -3.454 0.269 -13.918 1.00 52.12 O ATOM 1011 CB LYS A 76 -5.830 -0.990 -12.452 1.00 51.24 C ATOM 1012 CG LYS A 76 -6.473 -2.331 -12.145 1.00 24.31 C ATOM 1013 CD LYS A 76 -7.514 -2.212 -11.045 1.00 3.15 C ATOM 1014 CE LYS A 76 -7.550 -3.458 -10.174 1.00 22.52 C ATOM 1015 NZ LYS A 76 -8.890 -4.107 -10.189 1.00 71.23 N ATOM 0 H LYS A 76 -4.222 1.139 -11.570 1.00 72.13 H new ATOM 0 HA LYS A 76 -4.088 -1.814 -11.498 1.00 52.25 H new ATOM 0 HB2 LYS A 76 -6.392 -0.203 -11.949 1.00 51.24 H new ATOM 0 HB3 LYS A 76 -5.902 -0.799 -13.523 1.00 51.24 H new ATOM 0 HG2 LYS A 76 -6.939 -2.727 -13.047 1.00 24.31 H new ATOM 0 HG3 LYS A 76 -5.705 -3.043 -11.844 1.00 24.31 H new ATOM 0 HD2 LYS A 76 -7.294 -1.341 -10.427 1.00 3.15 H new ATOM 0 HD3 LYS A 76 -8.496 -2.048 -11.488 1.00 3.15 H new ATOM 0 HE2 LYS A 76 -6.799 -4.167 -10.523 1.00 22.52 H new ATOM 0 HE3 LYS A 76 -7.286 -3.193 -9.150 1.00 22.52 H new ATOM 0 HZ1 LYS A 76 -8.873 -4.952 -9.583 1.00 71.23 H new ATOM 0 HZ2 LYS A 76 -9.603 -3.439 -9.832 1.00 71.23 H new ATOM 0 HZ3 LYS A 76 -9.131 -4.383 -11.162 1.00 71.23 H new ATOM 1029 N PHE A 77 -2.739 -1.835 -13.570 1.00 62.51 N ATOM 1030 CA PHE A 77 -1.848 -1.840 -14.725 1.00 22.14 C ATOM 1031 C PHE A 77 -2.358 -2.793 -15.802 1.00 31.04 C ATOM 1032 O PHE A 77 -2.998 -3.801 -15.502 1.00 33.00 O ATOM 1033 CB PHE A 77 -0.433 -2.241 -14.302 1.00 1.21 C ATOM 1034 CG PHE A 77 0.307 -1.153 -13.577 1.00 33.13 C ATOM 1035 CD1 PHE A 77 0.320 0.142 -14.070 1.00 61.42 C ATOM 1036 CD2 PHE A 77 0.988 -1.425 -12.401 1.00 61.24 C ATOM 1037 CE1 PHE A 77 1.001 1.144 -13.405 1.00 74.02 C ATOM 1038 CE2 PHE A 77 1.670 -0.427 -11.732 1.00 1.33 C ATOM 1039 CZ PHE A 77 1.675 0.860 -12.234 1.00 23.21 C ATOM 0 H PHE A 77 -2.743 -2.705 -13.037 1.00 62.51 H new ATOM 0 HA PHE A 77 -1.825 -0.832 -15.139 1.00 22.14 H new ATOM 0 HB2 PHE A 77 -0.490 -3.121 -13.661 1.00 1.21 H new ATOM 0 HB3 PHE A 77 0.135 -2.528 -15.187 1.00 1.21 H new ATOM 0 HD1 PHE A 77 -0.208 0.371 -14.984 1.00 61.42 H new ATOM 0 HD2 PHE A 77 0.986 -2.429 -12.003 1.00 61.24 H new ATOM 0 HE1 PHE A 77 1.006 2.149 -13.801 1.00 74.02 H new ATOM 0 HE2 PHE A 77 2.199 -0.653 -10.818 1.00 1.33 H new ATOM 0 HZ PHE A 77 2.205 1.643 -11.711 1.00 23.21 H new ATOM 1049 N VAL A 78 -2.070 -2.466 -17.057 1.00 52.14 N ATOM 1050 CA VAL A 78 -2.499 -3.292 -18.180 1.00 2.20 C ATOM 1051 C VAL A 78 -1.313 -4.002 -18.824 1.00 52.40 C ATOM 1052 O VAL A 78 -0.351 -3.363 -19.252 1.00 61.03 O ATOM 1053 CB VAL A 78 -3.224 -2.453 -19.249 1.00 64.03 C ATOM 1054 CG1 VAL A 78 -3.704 -3.339 -20.388 1.00 74.51 C ATOM 1055 CG2 VAL A 78 -4.385 -1.690 -18.630 1.00 43.43 C ATOM 0 H VAL A 78 -1.541 -1.635 -17.322 1.00 52.14 H new ATOM 0 HA VAL A 78 -3.190 -4.034 -17.782 1.00 2.20 H new ATOM 0 HB VAL A 78 -2.519 -1.728 -19.657 1.00 64.03 H new ATOM 0 HG11 VAL A 78 -4.214 -2.729 -21.134 1.00 74.51 H new ATOM 0 HG12 VAL A 78 -2.849 -3.835 -20.848 1.00 74.51 H new ATOM 0 HG13 VAL A 78 -4.393 -4.089 -20.000 1.00 74.51 H new ATOM 0 HG21 VAL A 78 -4.886 -1.103 -19.400 1.00 43.43 H new ATOM 0 HG22 VAL A 78 -5.092 -2.395 -18.194 1.00 43.43 H new ATOM 0 HG23 VAL A 78 -4.010 -1.025 -17.852 1.00 43.43 H new ATOM 1065 N LEU A 79 -1.389 -5.326 -18.890 1.00 62.21 N ATOM 1066 CA LEU A 79 -0.322 -6.125 -19.483 1.00 44.21 C ATOM 1067 C LEU A 79 -0.729 -6.642 -20.859 1.00 43.32 C ATOM 1068 O LEU A 79 -1.788 -7.250 -21.016 1.00 63.01 O ATOM 1069 CB LEU A 79 0.032 -7.299 -18.569 1.00 32.03 C ATOM 1070 CG LEU A 79 0.763 -8.468 -19.230 1.00 30.13 C ATOM 1071 CD1 LEU A 79 1.971 -7.971 -20.009 1.00 13.55 C ATOM 1072 CD2 LEU A 79 1.184 -9.492 -18.186 1.00 61.40 C ATOM 0 H LEU A 79 -2.178 -5.869 -18.540 1.00 62.21 H new ATOM 0 HA LEU A 79 0.554 -5.487 -19.599 1.00 44.21 H new ATOM 0 HB2 LEU A 79 0.650 -6.925 -17.753 1.00 32.03 H new ATOM 0 HB3 LEU A 79 -0.888 -7.677 -18.124 1.00 32.03 H new ATOM 0 HG LEU A 79 0.080 -8.950 -19.929 1.00 30.13 H new ATOM 0 HD11 LEU A 79 2.478 -8.817 -20.472 1.00 13.55 H new ATOM 0 HD12 LEU A 79 1.644 -7.276 -20.782 1.00 13.55 H new ATOM 0 HD13 LEU A 79 2.657 -7.463 -19.331 1.00 13.55 H new ATOM 0 HD21 LEU A 79 1.703 -10.317 -18.674 1.00 61.40 H new ATOM 0 HD22 LEU A 79 1.850 -9.022 -17.463 1.00 61.40 H new ATOM 0 HD23 LEU A 79 0.301 -9.872 -17.672 1.00 61.40 H new ATOM 1084 N ILE A 80 0.120 -6.397 -21.852 1.00 71.40 N ATOM 1085 CA ILE A 80 -0.150 -6.841 -23.214 1.00 33.21 C ATOM 1086 C ILE A 80 1.034 -7.614 -23.785 1.00 53.34 C ATOM 1087 O ILE A 80 2.150 -7.098 -23.858 1.00 73.11 O ATOM 1088 CB ILE A 80 -0.469 -5.653 -24.140 1.00 50.14 C ATOM 1089 CG1 ILE A 80 -1.603 -4.810 -23.553 1.00 71.24 C ATOM 1090 CG2 ILE A 80 -0.836 -6.149 -25.531 1.00 63.21 C ATOM 1091 CD1 ILE A 80 -1.906 -3.563 -24.354 1.00 0.00 C ATOM 0 H ILE A 80 1.000 -5.894 -21.739 1.00 71.40 H new ATOM 0 HA ILE A 80 -1.019 -7.497 -23.166 1.00 33.21 H new ATOM 0 HB ILE A 80 0.419 -5.027 -24.221 1.00 50.14 H new ATOM 0 HG12 ILE A 80 -2.504 -5.420 -23.491 1.00 71.24 H new ATOM 0 HG13 ILE A 80 -1.342 -4.523 -22.534 1.00 71.24 H new ATOM 0 HG21 ILE A 80 -1.059 -5.297 -26.174 1.00 63.21 H new ATOM 0 HG22 ILE A 80 -0.001 -6.711 -25.949 1.00 63.21 H new ATOM 0 HG23 ILE A 80 -1.712 -6.795 -25.468 1.00 63.21 H new ATOM 0 HD11 ILE A 80 -2.720 -3.015 -23.880 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.018 -2.932 -24.394 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.199 -3.843 -25.366 1.00 0.00 H new ATOM 1103 N THR A 81 0.783 -8.854 -24.193 1.00 30.35 N ATOM 1104 CA THR A 81 1.827 -9.699 -24.759 1.00 3.43 C ATOM 1105 C THR A 81 1.551 -10.005 -26.226 1.00 44.33 C ATOM 1106 O THR A 81 0.397 -10.109 -26.642 1.00 64.31 O ATOM 1107 CB THR A 81 1.959 -11.024 -23.985 1.00 73.34 C ATOM 1108 OG1 THR A 81 0.872 -11.895 -24.318 1.00 35.04 O ATOM 1109 CG2 THR A 81 1.976 -10.776 -22.485 1.00 10.03 C ATOM 0 H THR A 81 -0.135 -9.296 -24.142 1.00 30.35 H new ATOM 0 HA THR A 81 2.762 -9.145 -24.676 1.00 3.43 H new ATOM 0 HB THR A 81 2.901 -11.493 -24.269 1.00 73.34 H new ATOM 0 HG1 THR A 81 0.963 -12.736 -23.823 1.00 35.04 H new ATOM 0 HG21 THR A 81 2.070 -11.727 -21.960 1.00 10.03 H new ATOM 0 HG22 THR A 81 2.821 -10.136 -22.232 1.00 10.03 H new ATOM 0 HG23 THR A 81 1.049 -10.287 -22.187 1.00 10.03 H new ATOM 1117 N ARG A 82 2.618 -10.148 -27.007 1.00 14.03 N ATOM 1118 CA ARG A 82 2.490 -10.442 -28.429 1.00 14.11 C ATOM 1119 C ARG A 82 2.818 -11.904 -28.714 1.00 25.54 C ATOM 1120 O ARG A 82 3.828 -12.429 -28.242 1.00 44.34 O ATOM 1121 CB ARG A 82 3.411 -9.533 -29.244 1.00 50.23 C ATOM 1122 CG ARG A 82 2.699 -8.788 -30.362 1.00 33.33 C ATOM 1123 CD ARG A 82 3.184 -7.351 -30.472 1.00 25.43 C ATOM 1124 NE ARG A 82 2.391 -6.441 -29.651 1.00 14.10 N ATOM 1125 CZ ARG A 82 2.415 -5.120 -29.785 1.00 44.42 C ATOM 1126 NH1 ARG A 82 3.190 -4.558 -30.703 1.00 53.40 N ATOM 1127 NH2 ARG A 82 1.664 -4.358 -29.001 1.00 1.45 N ATOM 0 H ARG A 82 3.580 -10.065 -26.678 1.00 14.03 H new ATOM 0 HA ARG A 82 1.456 -10.256 -28.721 1.00 14.11 H new ATOM 0 HB2 ARG A 82 3.877 -8.809 -28.576 1.00 50.23 H new ATOM 0 HB3 ARG A 82 4.213 -10.133 -29.673 1.00 50.23 H new ATOM 0 HG2 ARG A 82 2.867 -9.303 -31.308 1.00 33.33 H new ATOM 0 HG3 ARG A 82 1.624 -8.797 -30.180 1.00 33.33 H new ATOM 0 HD2 ARG A 82 4.229 -7.297 -30.167 1.00 25.43 H new ATOM 0 HD3 ARG A 82 3.139 -7.032 -31.513 1.00 25.43 H new ATOM 0 HE ARG A 82 1.785 -6.842 -28.935 1.00 14.10 H new ATOM 0 HH11 ARG A 82 3.769 -5.141 -31.308 1.00 53.40 H new ATOM 0 HH12 ARG A 82 3.207 -3.543 -30.804 1.00 53.40 H new ATOM 0 HH21 ARG A 82 1.067 -4.786 -28.294 1.00 1.45 H new ATOM 0 HH22 ARG A 82 1.684 -3.344 -29.105 1.00 1.45 H new