USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=15 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 Set 1.1: A 41 CYS SG : rot -140:sc= -0.662 USER MOD Set 1.2: A 51 THR OG1 : rot -140:sc= -0.727 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 175:sc= 0.164 (180deg=0.159) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.286 K(o=-0.29,f=-1.4) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.427 USER MOD Single : A 38 THR OG1 : rot 80:sc= 1.31 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -128:sc= -0.113 (180deg=-2.22!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 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 71:sc= 0.814 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 180:sc= 0.0595 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.903 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 161:sc=-0.000541 (180deg=-0.117) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 10 0.891 -1.820 -3.028 1.00 34.10 N ATOM 19 CA LYS A 10 0.580 -3.018 -3.799 1.00 54.11 C ATOM 20 C LYS A 10 0.046 -2.652 -5.181 1.00 25.33 C ATOM 21 O LYS A 10 -0.553 -1.593 -5.364 1.00 52.42 O ATOM 22 CB LYS A 10 -0.447 -3.876 -3.056 1.00 5.04 C ATOM 23 CG LYS A 10 0.177 -4.885 -2.107 1.00 45.01 C ATOM 24 CD LYS A 10 -0.760 -6.050 -1.836 1.00 51.34 C ATOM 25 CE LYS A 10 -1.189 -6.093 -0.378 1.00 1.53 C ATOM 26 NZ LYS A 10 -0.130 -6.670 0.495 1.00 24.01 N ATOM 0 HA LYS A 10 1.500 -3.589 -3.923 1.00 54.11 H new ATOM 0 HB2 LYS A 10 -1.114 -3.223 -2.492 1.00 5.04 H new ATOM 0 HB3 LYS A 10 -1.061 -4.406 -3.785 1.00 5.04 H new ATOM 0 HG2 LYS A 10 1.109 -5.258 -2.532 1.00 45.01 H new ATOM 0 HG3 LYS A 10 0.430 -4.394 -1.167 1.00 45.01 H new ATOM 0 HD2 LYS A 10 -1.640 -5.966 -2.473 1.00 51.34 H new ATOM 0 HD3 LYS A 10 -0.265 -6.985 -2.098 1.00 51.34 H new ATOM 0 HE2 LYS A 10 -1.429 -5.085 -0.040 1.00 1.53 H new ATOM 0 HE3 LYS A 10 -2.099 -6.685 -0.285 1.00 1.53 H new ATOM 0 HZ1 LYS A 10 -0.461 -6.682 1.481 1.00 24.01 H new ATOM 0 HZ2 LYS A 10 0.081 -7.641 0.189 1.00 24.01 H new ATOM 0 HZ3 LYS A 10 0.731 -6.090 0.426 1.00 24.01 H new ATOM 40 N ILE A 11 0.268 -3.536 -6.148 1.00 53.21 N ATOM 41 CA ILE A 11 -0.193 -3.306 -7.512 1.00 30.33 C ATOM 42 C ILE A 11 -0.751 -4.586 -8.126 1.00 42.52 C ATOM 43 O ILE A 11 -0.246 -5.680 -7.875 1.00 10.02 O ATOM 44 CB ILE A 11 0.941 -2.772 -8.407 1.00 31.23 C ATOM 45 CG1 ILE A 11 1.452 -1.432 -7.874 1.00 24.20 C ATOM 46 CG2 ILE A 11 0.459 -2.628 -9.843 1.00 22.54 C ATOM 47 CD1 ILE A 11 2.511 -1.572 -6.803 1.00 23.21 C ATOM 0 H ILE A 11 0.764 -4.417 -6.013 1.00 53.21 H new ATOM 0 HA ILE A 11 -0.983 -2.558 -7.457 1.00 30.33 H new ATOM 0 HB ILE A 11 1.764 -3.486 -8.391 1.00 31.23 H new ATOM 0 HG12 ILE A 11 1.859 -0.852 -8.702 1.00 24.20 H new ATOM 0 HG13 ILE A 11 0.612 -0.866 -7.471 1.00 24.20 H new ATOM 0 HG21 ILE A 11 1.272 -2.250 -10.463 1.00 22.54 H new ATOM 0 HG22 ILE A 11 0.138 -3.600 -10.218 1.00 22.54 H new ATOM 0 HG23 ILE A 11 -0.379 -1.931 -9.878 1.00 22.54 H new ATOM 0 HD11 ILE A 11 2.827 -0.583 -6.472 1.00 23.21 H new ATOM 0 HD12 ILE A 11 2.102 -2.124 -5.957 1.00 23.21 H new ATOM 0 HD13 ILE A 11 3.368 -2.110 -7.207 1.00 23.21 H new ATOM 59 N LYS A 12 -1.795 -4.440 -8.935 1.00 61.41 N ATOM 60 CA LYS A 12 -2.421 -5.583 -9.590 1.00 30.04 C ATOM 61 C LYS A 12 -2.306 -5.471 -11.106 1.00 73.35 C ATOM 62 O LYS A 12 -2.844 -4.544 -11.712 1.00 43.41 O ATOM 63 CB LYS A 12 -3.893 -5.685 -9.185 1.00 14.10 C ATOM 64 CG LYS A 12 -4.337 -7.100 -8.856 1.00 12.33 C ATOM 65 CD LYS A 12 -5.851 -7.208 -8.788 1.00 54.24 C ATOM 66 CE LYS A 12 -6.288 -8.455 -8.035 1.00 72.04 C ATOM 67 NZ LYS A 12 -6.111 -8.305 -6.564 1.00 60.54 N ATOM 0 H LYS A 12 -2.226 -3.541 -9.153 1.00 61.41 H new ATOM 0 HA LYS A 12 -1.899 -6.485 -9.270 1.00 30.04 H new ATOM 0 HB2 LYS A 12 -4.068 -5.048 -8.318 1.00 14.10 H new ATOM 0 HB3 LYS A 12 -4.512 -5.298 -9.995 1.00 14.10 H new ATOM 0 HG2 LYS A 12 -3.956 -7.787 -9.612 1.00 12.33 H new ATOM 0 HG3 LYS A 12 -3.906 -7.405 -7.902 1.00 12.33 H new ATOM 0 HD2 LYS A 12 -6.258 -6.324 -8.297 1.00 54.24 H new ATOM 0 HD3 LYS A 12 -6.261 -7.229 -9.798 1.00 54.24 H new ATOM 0 HE2 LYS A 12 -7.335 -8.664 -8.255 1.00 72.04 H new ATOM 0 HE3 LYS A 12 -5.711 -9.311 -8.385 1.00 72.04 H new ATOM 0 HZ1 LYS A 12 -6.498 -9.141 -6.081 1.00 60.54 H new ATOM 0 HZ2 LYS A 12 -5.099 -8.215 -6.344 1.00 60.54 H new ATOM 0 HZ3 LYS A 12 -6.613 -7.454 -6.239 1.00 60.54 H new ATOM 81 N ILE A 13 -1.605 -6.422 -11.714 1.00 24.22 N ATOM 82 CA ILE A 13 -1.423 -6.431 -13.160 1.00 5.01 C ATOM 83 C ILE A 13 -2.007 -7.696 -13.780 1.00 3.31 C ATOM 84 O ILE A 13 -1.563 -8.806 -13.487 1.00 21.02 O ATOM 85 CB ILE A 13 0.066 -6.327 -13.541 1.00 2.44 C ATOM 86 CG1 ILE A 13 0.236 -6.436 -15.057 1.00 41.12 C ATOM 87 CG2 ILE A 13 0.871 -7.406 -12.833 1.00 32.43 C ATOM 88 CD1 ILE A 13 1.234 -5.452 -15.626 1.00 3.21 C ATOM 0 H ILE A 13 -1.154 -7.196 -11.227 1.00 24.22 H new ATOM 0 HA ILE A 13 -1.951 -5.561 -13.550 1.00 5.01 H new ATOM 0 HB ILE A 13 0.440 -5.354 -13.222 1.00 2.44 H new ATOM 0 HG12 ILE A 13 0.553 -7.448 -15.307 1.00 41.12 H new ATOM 0 HG13 ILE A 13 -0.731 -6.278 -15.535 1.00 41.12 H new ATOM 0 HG21 ILE A 13 1.921 -7.319 -13.113 1.00 32.43 H new ATOM 0 HG22 ILE A 13 0.772 -7.285 -11.754 1.00 32.43 H new ATOM 0 HG23 ILE A 13 0.498 -8.388 -13.124 1.00 32.43 H new ATOM 0 HD11 ILE A 13 1.303 -5.587 -16.705 1.00 3.21 H new ATOM 0 HD12 ILE A 13 0.908 -4.435 -15.407 1.00 3.21 H new ATOM 0 HD13 ILE A 13 2.212 -5.624 -15.176 1.00 3.21 H new ATOM 100 N VAL A 14 -3.005 -7.520 -14.640 1.00 65.05 N ATOM 101 CA VAL A 14 -3.648 -8.647 -15.305 1.00 53.20 C ATOM 102 C VAL A 14 -3.167 -8.783 -16.745 1.00 75.13 C ATOM 103 O VAL A 14 -3.487 -7.970 -17.612 1.00 52.44 O ATOM 104 CB VAL A 14 -5.182 -8.501 -15.299 1.00 4.41 C ATOM 105 CG1 VAL A 14 -5.589 -7.124 -15.802 1.00 61.10 C ATOM 106 CG2 VAL A 14 -5.824 -9.595 -16.137 1.00 71.33 C ATOM 0 H VAL A 14 -3.386 -6.608 -14.892 1.00 65.05 H new ATOM 0 HA VAL A 14 -3.373 -9.542 -14.747 1.00 53.20 H new ATOM 0 HB VAL A 14 -5.536 -8.606 -14.273 1.00 4.41 H new ATOM 0 HG11 VAL A 14 -6.676 -7.039 -15.791 1.00 61.10 H new ATOM 0 HG12 VAL A 14 -5.159 -6.359 -15.156 1.00 61.10 H new ATOM 0 HG13 VAL A 14 -5.225 -6.986 -16.820 1.00 61.10 H new ATOM 0 HG21 VAL A 14 -6.907 -9.477 -16.122 1.00 71.33 H new ATOM 0 HG22 VAL A 14 -5.466 -9.524 -17.164 1.00 71.33 H new ATOM 0 HG23 VAL A 14 -5.560 -10.570 -15.727 1.00 71.33 H new ATOM 116 N PRO A 15 -2.380 -9.837 -17.009 1.00 54.31 N ATOM 117 CA PRO A 15 -1.839 -10.106 -18.345 1.00 10.34 C ATOM 118 C PRO A 15 -2.918 -10.540 -19.331 1.00 22.54 C ATOM 119 O PRO A 15 -3.793 -11.338 -18.996 1.00 11.14 O ATOM 120 CB PRO A 15 -0.846 -11.245 -18.102 1.00 1.12 C ATOM 121 CG PRO A 15 -1.342 -11.924 -16.872 1.00 61.33 C ATOM 122 CD PRO A 15 -1.959 -10.847 -16.024 1.00 41.20 C ATOM 0 HA PRO A 15 -1.390 -9.218 -18.790 1.00 10.34 H new ATOM 0 HB2 PRO A 15 -0.816 -11.931 -18.948 1.00 1.12 H new ATOM 0 HB3 PRO A 15 0.166 -10.865 -17.964 1.00 1.12 H new ATOM 0 HG2 PRO A 15 -2.074 -12.693 -17.119 1.00 61.33 H new ATOM 0 HG3 PRO A 15 -0.527 -12.418 -16.343 1.00 61.33 H new ATOM 0 HD2 PRO A 15 -2.804 -11.224 -15.448 1.00 41.20 H new ATOM 0 HD3 PRO A 15 -1.244 -10.438 -15.310 1.00 41.20 H new ATOM 130 N ALA A 16 -2.848 -10.011 -20.548 1.00 34.42 N ATOM 131 CA ALA A 16 -3.818 -10.347 -21.583 1.00 61.21 C ATOM 132 C ALA A 16 -5.149 -9.645 -21.337 1.00 32.41 C ATOM 133 O ALA A 16 -5.638 -8.904 -22.189 1.00 55.30 O ATOM 134 CB ALA A 16 -4.018 -11.854 -21.650 1.00 42.03 C ATOM 0 H ALA A 16 -2.130 -9.348 -20.841 1.00 34.42 H new ATOM 0 HA ALA A 16 -3.426 -10.001 -22.539 1.00 61.21 H new ATOM 0 HB1 ALA A 16 -4.745 -12.090 -22.427 1.00 42.03 H new ATOM 0 HB2 ALA A 16 -3.069 -12.337 -21.882 1.00 42.03 H new ATOM 0 HB3 ALA A 16 -4.384 -12.216 -20.689 1.00 42.03 H new ATOM 170 N GLY A 20 -7.585 -13.813 -19.227 1.00 5.42 N ATOM 171 CA GLY A 20 -6.653 -14.216 -18.189 1.00 55.31 C ATOM 172 C GLY A 20 -7.109 -13.795 -16.806 1.00 51.10 C ATOM 173 O GLY A 20 -8.262 -13.406 -16.616 1.00 63.42 O ATOM 0 HA2 GLY A 20 -6.532 -15.299 -18.214 1.00 55.31 H new ATOM 0 HA3 GLY A 20 -5.675 -13.781 -18.394 1.00 55.31 H new ATOM 177 N SER A 21 -6.203 -13.874 -15.837 1.00 11.53 N ATOM 178 CA SER A 21 -6.520 -13.503 -14.462 1.00 43.24 C ATOM 179 C SER A 21 -5.493 -12.515 -13.916 1.00 31.52 C ATOM 180 O SER A 21 -4.334 -12.493 -14.329 1.00 63.42 O ATOM 181 CB SER A 21 -6.570 -14.748 -13.575 1.00 2.23 C ATOM 182 OG SER A 21 -5.732 -15.771 -14.084 1.00 32.22 O ATOM 0 H SER A 21 -5.244 -14.191 -15.978 1.00 11.53 H new ATOM 0 HA SER A 21 -7.498 -13.023 -14.457 1.00 43.24 H new ATOM 0 HB2 SER A 21 -6.260 -14.490 -12.563 1.00 2.23 H new ATOM 0 HB3 SER A 21 -7.595 -15.112 -13.511 1.00 2.23 H new ATOM 0 HG SER A 21 -5.780 -16.555 -13.498 1.00 32.22 H new ATOM 188 N PRO A 22 -5.928 -11.678 -12.963 1.00 13.31 N ATOM 189 CA PRO A 22 -5.064 -10.672 -12.338 1.00 22.32 C ATOM 190 C PRO A 22 -4.002 -11.298 -11.440 1.00 60.20 C ATOM 191 O PRO A 22 -4.212 -12.368 -10.866 1.00 4.53 O ATOM 192 CB PRO A 22 -6.039 -9.833 -11.508 1.00 45.00 C ATOM 193 CG PRO A 22 -7.179 -10.748 -11.223 1.00 21.31 C ATOM 194 CD PRO A 22 -7.298 -11.648 -12.422 1.00 5.11 C ATOM 0 HA PRO A 22 -4.508 -10.096 -13.078 1.00 22.32 H new ATOM 0 HB2 PRO A 22 -5.574 -9.481 -10.587 1.00 45.00 H new ATOM 0 HB3 PRO A 22 -6.368 -8.950 -12.056 1.00 45.00 H new ATOM 0 HG2 PRO A 22 -6.998 -11.327 -10.317 1.00 21.31 H new ATOM 0 HG3 PRO A 22 -8.100 -10.187 -11.064 1.00 21.31 H new ATOM 0 HD2 PRO A 22 -7.642 -12.644 -12.144 1.00 5.11 H new ATOM 0 HD3 PRO A 22 -8.009 -11.256 -13.150 1.00 5.11 H new ATOM 202 N LEU A 23 -2.862 -10.626 -11.323 1.00 32.03 N ATOM 203 CA LEU A 23 -1.767 -11.116 -10.493 1.00 63.45 C ATOM 204 C LEU A 23 -1.329 -10.057 -9.487 1.00 33.11 C ATOM 205 O LEU A 23 -1.141 -8.893 -9.839 1.00 61.33 O ATOM 206 CB LEU A 23 -0.581 -11.524 -11.370 1.00 21.34 C ATOM 207 CG LEU A 23 0.208 -12.749 -10.904 1.00 12.31 C ATOM 208 CD1 LEU A 23 0.581 -13.626 -12.089 1.00 3.50 C ATOM 209 CD2 LEU A 23 1.453 -12.322 -10.140 1.00 61.14 C ATOM 0 H LEU A 23 -2.672 -9.741 -11.792 1.00 32.03 H new ATOM 0 HA LEU A 23 -2.122 -11.987 -9.943 1.00 63.45 H new ATOM 0 HB2 LEU A 23 -0.949 -11.716 -12.378 1.00 21.34 H new ATOM 0 HB3 LEU A 23 0.104 -10.679 -11.436 1.00 21.34 H new ATOM 0 HG LEU A 23 -0.424 -13.331 -10.233 1.00 12.31 H new ATOM 0 HD11 LEU A 23 1.142 -14.492 -11.738 1.00 3.50 H new ATOM 0 HD12 LEU A 23 -0.325 -13.960 -12.594 1.00 3.50 H new ATOM 0 HD13 LEU A 23 1.194 -13.055 -12.786 1.00 3.50 H new ATOM 0 HD21 LEU A 23 2.002 -13.206 -9.816 1.00 61.14 H new ATOM 0 HD22 LEU A 23 2.088 -11.718 -10.788 1.00 61.14 H new ATOM 0 HD23 LEU A 23 1.162 -11.736 -9.268 1.00 61.14 H new ATOM 221 N GLU A 24 -1.168 -10.470 -8.234 1.00 2.14 N ATOM 222 CA GLU A 24 -0.751 -9.556 -7.177 1.00 1.23 C ATOM 223 C GLU A 24 0.770 -9.524 -7.054 1.00 12.34 C ATOM 224 O GLU A 24 1.417 -10.565 -6.937 1.00 72.54 O ATOM 225 CB GLU A 24 -1.373 -9.968 -5.841 1.00 12.41 C ATOM 226 CG GLU A 24 -2.836 -9.580 -5.706 1.00 32.41 C ATOM 227 CD GLU A 24 -3.069 -8.550 -4.619 1.00 0.55 C ATOM 228 OE1 GLU A 24 -2.688 -8.813 -3.459 1.00 31.00 O ATOM 229 OE2 GLU A 24 -3.632 -7.479 -4.928 1.00 52.40 O ATOM 0 H GLU A 24 -1.320 -11.431 -7.926 1.00 2.14 H new ATOM 0 HA GLU A 24 -1.098 -8.556 -7.438 1.00 1.23 H new ATOM 0 HB2 GLU A 24 -1.280 -11.048 -5.724 1.00 12.41 H new ATOM 0 HB3 GLU A 24 -0.808 -9.509 -5.030 1.00 12.41 H new ATOM 0 HG2 GLU A 24 -3.192 -9.185 -6.657 1.00 32.41 H new ATOM 0 HG3 GLU A 24 -3.426 -10.471 -5.489 1.00 32.41 H new ATOM 236 N LEU A 25 1.334 -8.322 -7.081 1.00 2.55 N ATOM 237 CA LEU A 25 2.779 -8.152 -6.972 1.00 61.15 C ATOM 238 C LEU A 25 3.122 -6.901 -6.170 1.00 23.55 C ATOM 239 O LEU A 25 2.303 -5.993 -6.038 1.00 52.03 O ATOM 240 CB LEU A 25 3.408 -8.067 -8.364 1.00 51.24 C ATOM 241 CG LEU A 25 4.584 -9.007 -8.628 1.00 62.53 C ATOM 242 CD1 LEU A 25 4.277 -9.932 -9.796 1.00 50.22 C ATOM 243 CD2 LEU A 25 5.854 -8.212 -8.895 1.00 12.01 C ATOM 0 H LEU A 25 0.813 -7.450 -7.177 1.00 2.55 H new ATOM 0 HA LEU A 25 3.183 -9.018 -6.449 1.00 61.15 H new ATOM 0 HB2 LEU A 25 2.634 -8.270 -9.104 1.00 51.24 H new ATOM 0 HB3 LEU A 25 3.744 -7.043 -8.527 1.00 51.24 H new ATOM 0 HG LEU A 25 4.742 -9.618 -7.739 1.00 62.53 H new ATOM 0 HD11 LEU A 25 5.126 -10.594 -9.969 1.00 50.22 H new ATOM 0 HD12 LEU A 25 3.394 -10.528 -9.566 1.00 50.22 H new ATOM 0 HD13 LEU A 25 4.091 -9.338 -10.691 1.00 50.22 H new ATOM 0 HD21 LEU A 25 6.680 -8.898 -9.081 1.00 12.01 H new ATOM 0 HD22 LEU A 25 5.708 -7.575 -9.767 1.00 12.01 H new ATOM 0 HD23 LEU A 25 6.085 -7.593 -8.028 1.00 12.01 H new ATOM 255 N GLU A 26 4.339 -6.862 -5.636 1.00 65.05 N ATOM 256 CA GLU A 26 4.791 -5.722 -4.848 1.00 14.43 C ATOM 257 C GLU A 26 5.853 -4.926 -5.600 1.00 43.13 C ATOM 258 O GLU A 26 6.988 -5.377 -5.757 1.00 31.31 O ATOM 259 CB GLU A 26 5.347 -6.192 -3.502 1.00 45.14 C ATOM 260 CG GLU A 26 6.310 -7.362 -3.618 1.00 1.14 C ATOM 261 CD GLU A 26 7.505 -7.227 -2.694 1.00 31.44 C ATOM 262 OE1 GLU A 26 8.081 -6.121 -2.627 1.00 32.22 O ATOM 263 OE2 GLU A 26 7.864 -8.227 -2.038 1.00 21.51 O ATOM 0 H GLU A 26 5.029 -7.607 -5.735 1.00 65.05 H new ATOM 0 HA GLU A 26 3.933 -5.073 -4.672 1.00 14.43 H new ATOM 0 HB2 GLU A 26 5.857 -5.359 -3.018 1.00 45.14 H new ATOM 0 HB3 GLU A 26 4.517 -6.477 -2.855 1.00 45.14 H new ATOM 0 HG2 GLU A 26 5.781 -8.287 -3.389 1.00 1.14 H new ATOM 0 HG3 GLU A 26 6.659 -7.440 -4.648 1.00 1.14 H new ATOM 270 N VAL A 27 5.477 -3.739 -6.065 1.00 11.32 N ATOM 271 CA VAL A 27 6.396 -2.879 -6.801 1.00 23.04 C ATOM 272 C VAL A 27 6.207 -1.416 -6.416 1.00 42.14 C ATOM 273 O VAL A 27 5.232 -1.058 -5.756 1.00 41.15 O ATOM 274 CB VAL A 27 6.208 -3.027 -8.322 1.00 73.50 C ATOM 275 CG1 VAL A 27 6.737 -4.372 -8.797 1.00 71.02 C ATOM 276 CG2 VAL A 27 4.743 -2.860 -8.696 1.00 13.43 C ATOM 0 H VAL A 27 4.541 -3.351 -5.945 1.00 11.32 H new ATOM 0 HA VAL A 27 7.405 -3.194 -6.536 1.00 23.04 H new ATOM 0 HB VAL A 27 6.779 -2.243 -8.819 1.00 73.50 H new ATOM 0 HG11 VAL A 27 6.596 -4.459 -9.874 1.00 71.02 H new ATOM 0 HG12 VAL A 27 7.799 -4.449 -8.563 1.00 71.02 H new ATOM 0 HG13 VAL A 27 6.196 -5.174 -8.294 1.00 71.02 H new ATOM 0 HG21 VAL A 27 4.628 -2.968 -9.775 1.00 13.43 H new ATOM 0 HG22 VAL A 27 4.149 -3.621 -8.190 1.00 13.43 H new ATOM 0 HG23 VAL A 27 4.400 -1.871 -8.392 1.00 13.43 H new ATOM 286 N ALA A 28 7.146 -0.574 -6.835 1.00 5.24 N ATOM 287 CA ALA A 28 7.082 0.852 -6.537 1.00 22.54 C ATOM 288 C ALA A 28 7.242 1.685 -7.804 1.00 20.04 C ATOM 289 O ALA A 28 8.295 1.693 -8.442 1.00 32.42 O ATOM 290 CB ALA A 28 8.148 1.226 -5.518 1.00 4.41 C ATOM 0 H ALA A 28 7.960 -0.855 -7.382 1.00 5.24 H new ATOM 0 HA ALA A 28 6.100 1.067 -6.115 1.00 22.54 H new ATOM 0 HB1 ALA A 28 8.089 2.293 -5.305 1.00 4.41 H new ATOM 0 HB2 ALA A 28 7.986 0.663 -4.599 1.00 4.41 H new ATOM 0 HB3 ALA A 28 9.134 0.990 -5.919 1.00 4.41 H new ATOM 296 N PRO A 29 6.174 2.404 -8.179 1.00 34.14 N ATOM 297 CA PRO A 29 6.171 3.254 -9.373 1.00 0.02 C ATOM 298 C PRO A 29 7.063 4.481 -9.213 1.00 73.41 C ATOM 299 O PRO A 29 7.364 5.171 -10.186 1.00 2.15 O ATOM 300 CB PRO A 29 4.705 3.673 -9.507 1.00 72.31 C ATOM 301 CG PRO A 29 4.156 3.580 -8.125 1.00 43.01 C ATOM 302 CD PRO A 29 4.886 2.443 -7.465 1.00 72.55 C ATOM 0 HA PRO A 29 6.560 2.731 -10.246 1.00 0.02 H new ATOM 0 HB2 PRO A 29 4.617 4.686 -9.900 1.00 72.31 H new ATOM 0 HB3 PRO A 29 4.167 3.017 -10.192 1.00 72.31 H new ATOM 0 HG2 PRO A 29 4.310 4.511 -7.580 1.00 43.01 H new ATOM 0 HG3 PRO A 29 3.082 3.396 -8.143 1.00 43.01 H new ATOM 0 HD2 PRO A 29 5.023 2.619 -6.398 1.00 72.55 H new ATOM 0 HD3 PRO A 29 4.342 1.504 -7.566 1.00 72.55 H new ATOM 310 N ASN A 30 7.482 4.745 -7.980 1.00 11.21 N ATOM 311 CA ASN A 30 8.340 5.889 -7.693 1.00 53.42 C ATOM 312 C ASN A 30 9.809 5.531 -7.892 1.00 62.11 C ATOM 313 O ASN A 30 10.700 6.303 -7.538 1.00 62.54 O ATOM 314 CB ASN A 30 8.112 6.378 -6.261 1.00 54.14 C ATOM 315 CG ASN A 30 6.641 6.429 -5.895 1.00 71.12 C ATOM 316 OD1 ASN A 30 5.789 6.710 -6.738 1.00 42.44 O ATOM 317 ND2 ASN A 30 6.336 6.156 -4.632 1.00 22.12 N ATOM 0 H ASN A 30 7.242 4.183 -7.164 1.00 11.21 H new ATOM 0 HA ASN A 30 8.082 6.688 -8.388 1.00 53.42 H new ATOM 0 HB2 ASN A 30 8.634 5.719 -5.567 1.00 54.14 H new ATOM 0 HB3 ASN A 30 8.547 7.371 -6.145 1.00 54.14 H new ATOM 0 HD21 ASN A 30 5.363 6.174 -4.327 1.00 22.12 H new ATOM 0 HD22 ASN A 30 7.075 5.928 -3.967 1.00 22.12 H new ATOM 324 N ALA A 31 10.054 4.355 -8.461 1.00 40.12 N ATOM 325 CA ALA A 31 11.415 3.895 -8.710 1.00 13.32 C ATOM 326 C ALA A 31 11.751 3.954 -10.196 1.00 21.01 C ATOM 327 O ALA A 31 12.436 4.870 -10.653 1.00 72.11 O ATOM 328 CB ALA A 31 11.599 2.481 -8.180 1.00 73.34 C ATOM 0 H ALA A 31 9.328 3.703 -8.758 1.00 40.12 H new ATOM 0 HA ALA A 31 12.099 4.560 -8.183 1.00 13.32 H new ATOM 0 HB1 ALA A 31 12.620 2.150 -8.373 1.00 73.34 H new ATOM 0 HB2 ALA A 31 11.410 2.467 -7.107 1.00 73.34 H new ATOM 0 HB3 ALA A 31 10.900 1.811 -8.680 1.00 73.34 H new ATOM 334 N THR A 32 11.266 2.970 -10.947 1.00 51.22 N ATOM 335 CA THR A 32 11.517 2.909 -12.382 1.00 32.15 C ATOM 336 C THR A 32 10.459 2.070 -13.089 1.00 52.34 C ATOM 337 O THR A 32 9.986 1.068 -12.554 1.00 31.24 O ATOM 338 CB THR A 32 12.908 2.321 -12.684 1.00 2.40 C ATOM 339 OG1 THR A 32 13.757 2.457 -11.539 1.00 33.15 O ATOM 340 CG2 THR A 32 13.543 3.020 -13.877 1.00 71.10 C ATOM 0 H THR A 32 10.697 2.204 -10.585 1.00 51.22 H new ATOM 0 HA THR A 32 11.475 3.932 -12.755 1.00 32.15 H new ATOM 0 HB THR A 32 12.787 1.264 -12.923 1.00 2.40 H new ATOM 0 HG1 THR A 32 14.639 2.079 -11.739 1.00 33.15 H new ATOM 0 HG21 THR A 32 14.525 2.588 -14.072 1.00 71.10 H new ATOM 0 HG22 THR A 32 12.909 2.890 -14.754 1.00 71.10 H new ATOM 0 HG23 THR A 32 13.651 4.083 -13.661 1.00 71.10 H new ATOM 348 N VAL A 33 10.091 2.486 -14.297 1.00 42.13 N ATOM 349 CA VAL A 33 9.090 1.772 -15.080 1.00 33.42 C ATOM 350 C VAL A 33 9.612 0.412 -15.531 1.00 42.54 C ATOM 351 O VAL A 33 8.931 -0.603 -15.394 1.00 44.01 O ATOM 352 CB VAL A 33 8.662 2.582 -16.318 1.00 12.02 C ATOM 353 CG1 VAL A 33 7.641 1.807 -17.137 1.00 21.20 C ATOM 354 CG2 VAL A 33 8.107 3.936 -15.902 1.00 35.21 C ATOM 0 H VAL A 33 10.472 3.314 -14.754 1.00 42.13 H new ATOM 0 HA VAL A 33 8.225 1.629 -14.432 1.00 33.42 H new ATOM 0 HB VAL A 33 9.540 2.750 -16.942 1.00 12.02 H new ATOM 0 HG11 VAL A 33 7.351 2.395 -18.007 1.00 21.20 H new ATOM 0 HG12 VAL A 33 8.078 0.864 -17.466 1.00 21.20 H new ATOM 0 HG13 VAL A 33 6.761 1.605 -16.526 1.00 21.20 H new ATOM 0 HG21 VAL A 33 7.809 4.495 -16.789 1.00 35.21 H new ATOM 0 HG22 VAL A 33 7.241 3.791 -15.257 1.00 35.21 H new ATOM 0 HG23 VAL A 33 8.873 4.493 -15.362 1.00 35.21 H new ATOM 364 N GLY A 34 10.827 0.401 -16.071 1.00 44.13 N ATOM 365 CA GLY A 34 11.421 -0.839 -16.535 1.00 25.11 C ATOM 366 C GLY A 34 11.700 -1.807 -15.402 1.00 60.45 C ATOM 367 O GLY A 34 11.604 -3.022 -15.578 1.00 1.35 O ATOM 0 H GLY A 34 11.410 1.229 -16.195 1.00 44.13 H new ATOM 0 HA2 GLY A 34 10.753 -1.311 -17.256 1.00 25.11 H new ATOM 0 HA3 GLY A 34 12.351 -0.619 -17.059 1.00 25.11 H new ATOM 371 N ALA A 35 12.048 -1.269 -14.238 1.00 35.50 N ATOM 372 CA ALA A 35 12.341 -2.094 -13.073 1.00 33.45 C ATOM 373 C ALA A 35 11.089 -2.814 -12.580 1.00 43.53 C ATOM 374 O ALA A 35 11.127 -4.004 -12.271 1.00 32.54 O ATOM 375 CB ALA A 35 12.935 -1.244 -11.960 1.00 1.31 C ATOM 0 H ALA A 35 12.134 -0.265 -14.077 1.00 35.50 H new ATOM 0 HA ALA A 35 13.070 -2.849 -13.368 1.00 33.45 H new ATOM 0 HB1 ALA A 35 13.149 -1.873 -11.096 1.00 1.31 H new ATOM 0 HB2 ALA A 35 13.858 -0.781 -12.309 1.00 1.31 H new ATOM 0 HB3 ALA A 35 12.224 -0.468 -11.676 1.00 1.31 H new ATOM 381 N VAL A 36 9.981 -2.083 -12.510 1.00 4.54 N ATOM 382 CA VAL A 36 8.718 -2.651 -12.055 1.00 60.00 C ATOM 383 C VAL A 36 8.191 -3.682 -13.047 1.00 11.12 C ATOM 384 O VAL A 36 7.764 -4.770 -12.659 1.00 42.31 O ATOM 385 CB VAL A 36 7.652 -1.558 -11.852 1.00 33.33 C ATOM 386 CG1 VAL A 36 6.323 -2.178 -11.447 1.00 12.33 C ATOM 387 CG2 VAL A 36 8.116 -0.548 -10.814 1.00 44.51 C ATOM 0 H VAL A 36 9.933 -1.096 -12.763 1.00 4.54 H new ATOM 0 HA VAL A 36 8.915 -3.137 -11.100 1.00 60.00 H new ATOM 0 HB VAL A 36 7.509 -1.034 -12.797 1.00 33.33 H new ATOM 0 HG11 VAL A 36 5.582 -1.391 -11.308 1.00 12.33 H new ATOM 0 HG12 VAL A 36 5.986 -2.860 -12.228 1.00 12.33 H new ATOM 0 HG13 VAL A 36 6.447 -2.728 -10.514 1.00 12.33 H new ATOM 0 HG21 VAL A 36 7.351 0.217 -10.683 1.00 44.51 H new ATOM 0 HG22 VAL A 36 8.288 -1.055 -9.865 1.00 44.51 H new ATOM 0 HG23 VAL A 36 9.042 -0.081 -11.149 1.00 44.51 H new ATOM 397 N ARG A 37 8.224 -3.333 -14.329 1.00 11.54 N ATOM 398 CA ARG A 37 7.749 -4.227 -15.377 1.00 33.41 C ATOM 399 C ARG A 37 8.576 -5.509 -15.414 1.00 33.23 C ATOM 400 O ARG A 37 8.039 -6.603 -15.593 1.00 31.14 O ATOM 401 CB ARG A 37 7.808 -3.530 -16.737 1.00 73.54 C ATOM 402 CG ARG A 37 7.232 -4.361 -17.873 1.00 12.04 C ATOM 403 CD ARG A 37 7.536 -3.740 -19.227 1.00 63.31 C ATOM 404 NE ARG A 37 8.967 -3.516 -19.417 1.00 52.11 N ATOM 405 CZ ARG A 37 9.843 -4.493 -19.625 1.00 13.33 C ATOM 406 NH1 ARG A 37 9.436 -5.754 -19.669 1.00 41.12 N ATOM 407 NH2 ARG A 37 11.128 -4.209 -19.789 1.00 5.21 N ATOM 0 H ARG A 37 8.575 -2.437 -14.667 1.00 11.54 H new ATOM 0 HA ARG A 37 6.714 -4.489 -15.155 1.00 33.41 H new ATOM 0 HB2 ARG A 37 7.265 -2.587 -16.676 1.00 73.54 H new ATOM 0 HB3 ARG A 37 8.845 -3.286 -16.966 1.00 73.54 H new ATOM 0 HG2 ARG A 37 7.644 -5.369 -17.833 1.00 12.04 H new ATOM 0 HG3 ARG A 37 6.153 -4.453 -17.747 1.00 12.04 H new ATOM 0 HD2 ARG A 37 7.163 -4.392 -20.017 1.00 63.31 H new ATOM 0 HD3 ARG A 37 7.005 -2.792 -19.319 1.00 63.31 H new ATOM 0 HE ARG A 37 9.313 -2.557 -19.388 1.00 52.11 H new ATOM 0 HH11 ARG A 37 8.448 -5.976 -19.543 1.00 41.12 H new ATOM 0 HH12 ARG A 37 10.110 -6.502 -19.829 1.00 41.12 H new ATOM 0 HH21 ARG A 37 11.444 -3.240 -19.755 1.00 5.21 H new ATOM 0 HH22 ARG A 37 11.800 -4.960 -19.949 1.00 5.21 H new ATOM 421 N THR A 38 9.887 -5.367 -15.244 1.00 15.14 N ATOM 422 CA THR A 38 10.788 -6.512 -15.259 1.00 0.10 C ATOM 423 C THR A 38 10.544 -7.420 -14.059 1.00 72.23 C ATOM 424 O THR A 38 10.521 -8.644 -14.188 1.00 71.45 O ATOM 425 CB THR A 38 12.262 -6.066 -15.259 1.00 65.12 C ATOM 426 OG1 THR A 38 12.539 -5.289 -16.430 1.00 22.13 O ATOM 427 CG2 THR A 38 13.192 -7.270 -15.212 1.00 13.42 C ATOM 0 H THR A 38 10.348 -4.470 -15.094 1.00 15.14 H new ATOM 0 HA THR A 38 10.582 -7.064 -16.176 1.00 0.10 H new ATOM 0 HB THR A 38 12.434 -5.458 -14.371 1.00 65.12 H new ATOM 0 HG1 THR A 38 12.226 -4.370 -16.295 1.00 22.13 H new ATOM 0 HG21 THR A 38 14.228 -6.930 -15.213 1.00 13.42 H new ATOM 0 HG22 THR A 38 12.999 -7.844 -14.305 1.00 13.42 H new ATOM 0 HG23 THR A 38 13.016 -7.900 -16.084 1.00 13.42 H new ATOM 435 N LYS A 39 10.361 -6.814 -12.891 1.00 53.54 N ATOM 436 CA LYS A 39 10.116 -7.567 -11.667 1.00 73.04 C ATOM 437 C LYS A 39 8.808 -8.347 -11.761 1.00 65.43 C ATOM 438 O LYS A 39 8.723 -9.491 -11.313 1.00 51.14 O ATOM 439 CB LYS A 39 10.073 -6.624 -10.463 1.00 44.42 C ATOM 440 CG LYS A 39 9.975 -7.344 -9.129 1.00 43.25 C ATOM 441 CD LYS A 39 11.015 -6.837 -8.144 1.00 51.31 C ATOM 442 CE LYS A 39 12.391 -7.413 -8.440 1.00 30.23 C ATOM 443 NZ LYS A 39 12.804 -8.414 -7.417 1.00 44.04 N ATOM 0 H LYS A 39 10.378 -5.802 -12.766 1.00 53.54 H new ATOM 0 HA LYS A 39 10.934 -8.276 -11.537 1.00 73.04 H new ATOM 0 HB2 LYS A 39 10.969 -6.003 -10.466 1.00 44.42 H new ATOM 0 HB3 LYS A 39 9.220 -5.953 -10.568 1.00 44.42 H new ATOM 0 HG2 LYS A 39 8.978 -7.204 -8.711 1.00 43.25 H new ATOM 0 HG3 LYS A 39 10.109 -8.415 -9.282 1.00 43.25 H new ATOM 0 HD2 LYS A 39 11.058 -5.749 -8.187 1.00 51.31 H new ATOM 0 HD3 LYS A 39 10.718 -7.104 -7.130 1.00 51.31 H new ATOM 0 HE2 LYS A 39 12.385 -7.881 -9.424 1.00 30.23 H new ATOM 0 HE3 LYS A 39 13.123 -6.606 -8.475 1.00 30.23 H new ATOM 0 HZ1 LYS A 39 13.747 -8.783 -7.654 1.00 44.04 H new ATOM 0 HZ2 LYS A 39 12.834 -7.962 -6.481 1.00 44.04 H new ATOM 0 HZ3 LYS A 39 12.119 -9.197 -7.401 1.00 44.04 H new ATOM 457 N VAL A 40 7.792 -7.723 -12.348 1.00 3.41 N ATOM 458 CA VAL A 40 6.490 -8.360 -12.503 1.00 1.31 C ATOM 459 C VAL A 40 6.559 -9.518 -13.491 1.00 64.52 C ATOM 460 O VAL A 40 6.028 -10.599 -13.234 1.00 61.53 O ATOM 461 CB VAL A 40 5.427 -7.354 -12.982 1.00 14.21 C ATOM 462 CG1 VAL A 40 4.082 -8.042 -13.159 1.00 14.04 C ATOM 463 CG2 VAL A 40 5.316 -6.191 -12.007 1.00 31.41 C ATOM 0 H VAL A 40 7.846 -6.776 -12.724 1.00 3.41 H new ATOM 0 HA VAL A 40 6.205 -8.740 -11.522 1.00 1.31 H new ATOM 0 HB VAL A 40 5.736 -6.959 -13.950 1.00 14.21 H new ATOM 0 HG11 VAL A 40 3.343 -7.315 -13.498 1.00 14.04 H new ATOM 0 HG12 VAL A 40 4.175 -8.837 -13.899 1.00 14.04 H new ATOM 0 HG13 VAL A 40 3.763 -8.467 -12.207 1.00 14.04 H new ATOM 0 HG21 VAL A 40 4.560 -5.490 -12.361 1.00 31.41 H new ATOM 0 HG22 VAL A 40 5.031 -6.566 -11.024 1.00 31.41 H new ATOM 0 HG23 VAL A 40 6.278 -5.683 -11.936 1.00 31.41 H new ATOM 473 N CYS A 41 7.218 -9.286 -14.621 1.00 75.14 N ATOM 474 CA CYS A 41 7.357 -10.311 -15.650 1.00 34.11 C ATOM 475 C CYS A 41 8.136 -11.510 -15.120 1.00 63.24 C ATOM 476 O CYS A 41 7.831 -12.656 -15.450 1.00 4.00 O ATOM 477 CB CYS A 41 8.057 -9.735 -16.882 1.00 30.45 C ATOM 478 SG CYS A 41 7.120 -9.920 -18.417 1.00 1.40 S ATOM 0 H CYS A 41 7.664 -8.397 -14.848 1.00 75.14 H new ATOM 0 HA CYS A 41 6.359 -10.646 -15.933 1.00 34.11 H new ATOM 0 HB2 CYS A 41 8.253 -8.676 -16.714 1.00 30.45 H new ATOM 0 HB3 CYS A 41 9.025 -10.223 -16.998 1.00 30.45 H new ATOM 0 HG CYS A 41 7.931 -10.227 -19.386 1.00 1.40 H new ATOM 484 N ALA A 42 9.145 -11.238 -14.299 1.00 40.32 N ATOM 485 CA ALA A 42 9.968 -12.294 -13.724 1.00 5.01 C ATOM 486 C ALA A 42 9.182 -13.109 -12.703 1.00 12.44 C ATOM 487 O ALA A 42 9.311 -14.331 -12.638 1.00 13.33 O ATOM 488 CB ALA A 42 11.215 -11.702 -13.083 1.00 14.44 C ATOM 0 H ALA A 42 9.412 -10.295 -14.017 1.00 40.32 H new ATOM 0 HA ALA A 42 10.270 -12.964 -14.529 1.00 5.01 H new ATOM 0 HB1 ALA A 42 11.820 -12.502 -12.658 1.00 14.44 H new ATOM 0 HB2 ALA A 42 11.795 -11.171 -13.838 1.00 14.44 H new ATOM 0 HB3 ALA A 42 10.924 -11.008 -12.294 1.00 14.44 H new ATOM 494 N MET A 43 8.368 -12.423 -11.906 1.00 72.34 N ATOM 495 CA MET A 43 7.560 -13.085 -10.888 1.00 40.42 C ATOM 496 C MET A 43 6.509 -13.985 -11.529 1.00 34.23 C ATOM 497 O MET A 43 6.103 -14.993 -10.949 1.00 64.24 O ATOM 498 CB MET A 43 6.882 -12.047 -9.991 1.00 72.14 C ATOM 499 CG MET A 43 7.433 -12.015 -8.575 1.00 42.42 C ATOM 500 SD MET A 43 7.052 -13.513 -7.647 1.00 45.02 S ATOM 501 CE MET A 43 7.652 -13.065 -6.020 1.00 12.21 C ATOM 0 H MET A 43 8.251 -11.411 -11.946 1.00 72.34 H new ATOM 0 HA MET A 43 8.220 -13.704 -10.280 1.00 40.42 H new ATOM 0 HB2 MET A 43 6.998 -11.060 -10.439 1.00 72.14 H new ATOM 0 HB3 MET A 43 5.813 -12.256 -9.951 1.00 72.14 H new ATOM 0 HG2 MET A 43 8.514 -11.881 -8.613 1.00 42.42 H new ATOM 0 HG3 MET A 43 7.023 -11.153 -8.049 1.00 42.42 H new ATOM 0 HE1 MET A 43 7.487 -13.893 -5.331 1.00 12.21 H new ATOM 0 HE2 MET A 43 8.718 -12.845 -6.073 1.00 12.21 H new ATOM 0 HE3 MET A 43 7.117 -12.184 -5.665 1.00 12.21 H new ATOM 511 N LYS A 44 6.070 -13.615 -12.727 1.00 71.31 N ATOM 512 CA LYS A 44 5.066 -14.390 -13.447 1.00 42.45 C ATOM 513 C LYS A 44 5.721 -15.305 -14.477 1.00 51.23 C ATOM 514 O LYS A 44 5.060 -16.148 -15.083 1.00 74.14 O ATOM 515 CB LYS A 44 4.071 -13.455 -14.139 1.00 63.14 C ATOM 516 CG LYS A 44 4.714 -12.529 -15.158 1.00 74.51 C ATOM 517 CD LYS A 44 3.880 -11.278 -15.378 1.00 61.21 C ATOM 518 CE LYS A 44 2.486 -11.619 -15.883 1.00 2.43 C ATOM 519 NZ LYS A 44 1.429 -11.187 -14.926 1.00 64.24 N ATOM 0 H LYS A 44 6.394 -12.783 -13.220 1.00 71.31 H new ATOM 0 HA LYS A 44 4.533 -15.008 -12.725 1.00 42.45 H new ATOM 0 HB2 LYS A 44 3.307 -14.054 -14.636 1.00 63.14 H new ATOM 0 HB3 LYS A 44 3.564 -12.854 -13.384 1.00 63.14 H new ATOM 0 HG2 LYS A 44 5.711 -12.248 -14.818 1.00 74.51 H new ATOM 0 HG3 LYS A 44 4.837 -13.057 -16.104 1.00 74.51 H new ATOM 0 HD2 LYS A 44 3.804 -10.721 -14.444 1.00 61.21 H new ATOM 0 HD3 LYS A 44 4.380 -10.628 -16.096 1.00 61.21 H new ATOM 0 HE2 LYS A 44 2.321 -11.138 -16.847 1.00 2.43 H new ATOM 0 HE3 LYS A 44 2.411 -12.694 -16.046 1.00 2.43 H new ATOM 0 HZ1 LYS A 44 0.798 -11.988 -14.721 1.00 64.24 H new ATOM 0 HZ2 LYS A 44 1.872 -10.860 -14.044 1.00 64.24 H new ATOM 0 HZ3 LYS A 44 0.878 -10.411 -15.345 1.00 64.24 H new ATOM 533 N LYS A 45 7.024 -15.134 -14.670 1.00 25.12 N ATOM 534 CA LYS A 45 7.770 -15.946 -15.624 1.00 23.10 C ATOM 535 C LYS A 45 7.279 -15.702 -17.047 1.00 73.22 C ATOM 536 O LYS A 45 6.882 -16.635 -17.746 1.00 62.54 O ATOM 537 CB LYS A 45 7.638 -17.430 -15.275 1.00 23.22 C ATOM 538 CG LYS A 45 7.880 -17.733 -13.806 1.00 60.42 C ATOM 539 CD LYS A 45 8.938 -18.809 -13.626 1.00 34.43 C ATOM 540 CE LYS A 45 10.313 -18.315 -14.047 1.00 20.21 C ATOM 541 NZ LYS A 45 10.937 -19.210 -15.061 1.00 3.34 N ATOM 0 H LYS A 45 7.586 -14.440 -14.178 1.00 25.12 H new ATOM 0 HA LYS A 45 8.820 -15.657 -15.566 1.00 23.10 H new ATOM 0 HB2 LYS A 45 6.640 -17.772 -15.548 1.00 23.22 H new ATOM 0 HB3 LYS A 45 8.346 -18.001 -15.876 1.00 23.22 H new ATOM 0 HG2 LYS A 45 8.193 -16.824 -13.293 1.00 60.42 H new ATOM 0 HG3 LYS A 45 6.948 -18.056 -13.342 1.00 60.42 H new ATOM 0 HD2 LYS A 45 8.967 -19.122 -12.582 1.00 34.43 H new ATOM 0 HD3 LYS A 45 8.670 -19.686 -14.214 1.00 34.43 H new ATOM 0 HE2 LYS A 45 10.228 -17.308 -14.455 1.00 20.21 H new ATOM 0 HE3 LYS A 45 10.960 -18.251 -13.172 1.00 20.21 H new ATOM 0 HZ1 LYS A 45 11.873 -18.839 -15.322 1.00 3.34 H new ATOM 0 HZ2 LYS A 45 11.042 -20.165 -14.663 1.00 3.34 H new ATOM 0 HZ3 LYS A 45 10.333 -19.251 -15.906 1.00 3.34 H new ATOM 555 N LEU A 46 7.308 -14.443 -17.471 1.00 23.52 N ATOM 556 CA LEU A 46 6.867 -14.077 -18.812 1.00 61.01 C ATOM 557 C LEU A 46 8.033 -13.553 -19.645 1.00 32.03 C ATOM 558 O LEU A 46 9.077 -13.166 -19.121 1.00 4.24 O ATOM 559 CB LEU A 46 5.764 -13.020 -18.736 1.00 72.24 C ATOM 560 CG LEU A 46 4.338 -13.520 -18.975 1.00 3.35 C ATOM 561 CD1 LEU A 46 3.988 -14.623 -17.988 1.00 54.13 C ATOM 562 CD2 LEU A 46 3.346 -12.371 -18.868 1.00 31.02 C ATOM 0 H LEU A 46 7.632 -13.659 -16.905 1.00 23.52 H new ATOM 0 HA LEU A 46 6.473 -14.971 -19.295 1.00 61.01 H new ATOM 0 HB2 LEU A 46 5.804 -12.552 -17.752 1.00 72.24 H new ATOM 0 HB3 LEU A 46 5.982 -12.242 -19.468 1.00 72.24 H new ATOM 0 HG LEU A 46 4.280 -13.931 -19.983 1.00 3.35 H new ATOM 0 HD11 LEU A 46 2.970 -14.967 -18.172 1.00 54.13 H new ATOM 0 HD12 LEU A 46 4.680 -15.456 -18.112 1.00 54.13 H new ATOM 0 HD13 LEU A 46 4.062 -14.238 -16.971 1.00 54.13 H new ATOM 0 HD21 LEU A 46 2.337 -12.744 -19.041 1.00 31.02 H new ATOM 0 HD22 LEU A 46 3.405 -11.931 -17.872 1.00 31.02 H new ATOM 0 HD23 LEU A 46 3.585 -11.613 -19.614 1.00 31.02 H new ATOM 574 N PRO A 47 7.851 -13.538 -20.974 1.00 4.44 N ATOM 575 CA PRO A 47 8.876 -13.061 -21.907 1.00 1.51 C ATOM 576 C PRO A 47 9.083 -11.552 -21.819 1.00 61.32 C ATOM 577 O PRO A 47 8.211 -10.760 -22.176 1.00 50.02 O ATOM 578 CB PRO A 47 8.314 -13.444 -23.278 1.00 35.22 C ATOM 579 CG PRO A 47 6.839 -13.507 -23.078 1.00 54.30 C ATOM 580 CD PRO A 47 6.632 -13.984 -21.667 1.00 73.33 C ATOM 0 HA PRO A 47 9.853 -13.495 -21.695 1.00 1.51 H new ATOM 0 HB2 PRO A 47 8.580 -12.706 -24.035 1.00 35.22 H new ATOM 0 HB3 PRO A 47 8.709 -14.402 -23.614 1.00 35.22 H new ATOM 0 HG2 PRO A 47 6.383 -12.529 -23.230 1.00 54.30 H new ATOM 0 HG3 PRO A 47 6.377 -14.189 -23.792 1.00 54.30 H new ATOM 0 HD2 PRO A 47 5.736 -13.550 -21.223 1.00 73.33 H new ATOM 0 HD3 PRO A 47 6.517 -15.067 -21.622 1.00 73.33 H new ATOM 588 N PRO A 48 10.265 -11.144 -21.333 1.00 54.44 N ATOM 589 CA PRO A 48 10.614 -9.727 -21.189 1.00 32.33 C ATOM 590 C PRO A 48 10.819 -9.040 -22.534 1.00 74.25 C ATOM 591 O PRO A 48 10.652 -7.826 -22.654 1.00 63.21 O ATOM 592 CB PRO A 48 11.926 -9.764 -20.402 1.00 23.11 C ATOM 593 CG PRO A 48 12.515 -11.098 -20.709 1.00 51.33 C ATOM 594 CD PRO A 48 11.351 -12.033 -20.889 1.00 10.34 C ATOM 0 HA PRO A 48 9.822 -9.160 -20.699 1.00 32.33 H new ATOM 0 HB2 PRO A 48 12.593 -8.957 -20.706 1.00 23.11 H new ATOM 0 HB3 PRO A 48 11.750 -9.646 -19.333 1.00 23.11 H new ATOM 0 HG2 PRO A 48 13.126 -11.057 -21.611 1.00 51.33 H new ATOM 0 HG3 PRO A 48 13.164 -11.434 -19.900 1.00 51.33 H new ATOM 0 HD2 PRO A 48 11.566 -12.805 -21.628 1.00 10.34 H new ATOM 0 HD3 PRO A 48 11.098 -12.543 -19.960 1.00 10.34 H new ATOM 602 N ASP A 49 11.180 -9.824 -23.544 1.00 51.25 N ATOM 603 CA ASP A 49 11.406 -9.291 -24.883 1.00 11.31 C ATOM 604 C ASP A 49 10.085 -9.101 -25.623 1.00 22.35 C ATOM 605 O ASP A 49 9.945 -8.195 -26.444 1.00 42.33 O ATOM 606 CB ASP A 49 12.321 -10.223 -25.678 1.00 41.35 C ATOM 607 CG ASP A 49 13.753 -9.726 -25.726 1.00 32.20 C ATOM 608 OD1 ASP A 49 14.029 -8.788 -26.502 1.00 4.33 O ATOM 609 OD2 ASP A 49 14.597 -10.277 -24.988 1.00 51.21 O ATOM 0 H ASP A 49 11.322 -10.831 -23.461 1.00 51.25 H new ATOM 0 HA ASP A 49 11.889 -8.319 -24.784 1.00 11.31 H new ATOM 0 HB2 ASP A 49 12.299 -11.217 -25.231 1.00 41.35 H new ATOM 0 HB3 ASP A 49 11.940 -10.322 -26.694 1.00 41.35 H new ATOM 614 N THR A 50 9.118 -9.964 -25.326 1.00 53.33 N ATOM 615 CA THR A 50 7.809 -9.893 -25.964 1.00 62.22 C ATOM 616 C THR A 50 6.723 -9.546 -24.953 1.00 54.21 C ATOM 617 O THR A 50 5.738 -10.272 -24.809 1.00 3.21 O ATOM 618 CB THR A 50 7.448 -11.223 -26.653 1.00 14.31 C ATOM 619 OG1 THR A 50 8.630 -11.844 -27.169 1.00 72.33 O ATOM 620 CG2 THR A 50 6.454 -10.995 -27.782 1.00 11.41 C ATOM 0 H THR A 50 9.217 -10.720 -24.648 1.00 53.33 H new ATOM 0 HA THR A 50 7.866 -9.106 -26.716 1.00 62.22 H new ATOM 0 HB THR A 50 6.988 -11.878 -25.912 1.00 14.31 H new ATOM 0 HG1 THR A 50 8.392 -12.689 -27.604 1.00 72.33 H new ATOM 0 HG21 THR A 50 6.214 -11.948 -28.254 1.00 11.41 H new ATOM 0 HG22 THR A 50 5.544 -10.549 -27.381 1.00 11.41 H new ATOM 0 HG23 THR A 50 6.891 -10.324 -28.522 1.00 11.41 H new ATOM 628 N THR A 51 6.906 -8.430 -24.254 1.00 10.01 N ATOM 629 CA THR A 51 5.941 -7.986 -23.256 1.00 24.34 C ATOM 630 C THR A 51 5.785 -6.470 -23.278 1.00 75.23 C ATOM 631 O THR A 51 6.745 -5.741 -23.527 1.00 32.10 O ATOM 632 CB THR A 51 6.356 -8.427 -21.839 1.00 70.11 C ATOM 633 OG1 THR A 51 5.440 -7.898 -20.874 1.00 31.42 O ATOM 634 CG2 THR A 51 7.767 -7.957 -21.517 1.00 73.34 C ATOM 0 H THR A 51 7.714 -7.817 -24.361 1.00 10.01 H new ATOM 0 HA THR A 51 4.988 -8.450 -23.509 1.00 24.34 H new ATOM 0 HB THR A 51 6.335 -9.516 -21.801 1.00 70.11 H new ATOM 0 HG1 THR A 51 5.934 -7.603 -20.081 1.00 31.42 H new ATOM 0 HG21 THR A 51 8.038 -8.280 -20.512 1.00 73.34 H new ATOM 0 HG22 THR A 51 8.466 -8.384 -22.236 1.00 73.34 H new ATOM 0 HG23 THR A 51 7.810 -6.869 -21.572 1.00 73.34 H new ATOM 642 N ARG A 52 4.569 -6.002 -23.017 1.00 14.25 N ATOM 643 CA ARG A 52 4.287 -4.571 -23.008 1.00 35.55 C ATOM 644 C ARG A 52 3.575 -4.166 -21.720 1.00 2.30 C ATOM 645 O ARG A 52 3.068 -5.014 -20.984 1.00 50.35 O ATOM 646 CB ARG A 52 3.431 -4.191 -24.217 1.00 73.22 C ATOM 647 CG ARG A 52 4.110 -3.211 -25.159 1.00 54.34 C ATOM 648 CD ARG A 52 4.117 -1.802 -24.587 1.00 11.02 C ATOM 649 NE ARG A 52 5.327 -1.531 -23.816 1.00 2.22 N ATOM 650 CZ ARG A 52 5.526 -0.411 -23.129 1.00 73.11 C ATOM 651 NH1 ARG A 52 4.598 0.536 -23.117 1.00 44.54 N ATOM 652 NH2 ARG A 52 6.653 -0.238 -22.452 1.00 5.22 N ATOM 0 H ARG A 52 3.763 -6.592 -22.809 1.00 14.25 H new ATOM 0 HA ARG A 52 5.236 -4.038 -23.062 1.00 35.55 H new ATOM 0 HB2 ARG A 52 3.175 -5.095 -24.769 1.00 73.22 H new ATOM 0 HB3 ARG A 52 2.495 -3.756 -23.867 1.00 73.22 H new ATOM 0 HG2 ARG A 52 5.134 -3.534 -25.346 1.00 54.34 H new ATOM 0 HG3 ARG A 52 3.595 -3.212 -26.120 1.00 54.34 H new ATOM 0 HD2 ARG A 52 4.036 -1.080 -25.400 1.00 11.02 H new ATOM 0 HD3 ARG A 52 3.243 -1.665 -23.950 1.00 11.02 H new ATOM 0 HE ARG A 52 6.060 -2.240 -23.804 1.00 2.22 H new ATOM 0 HH11 ARG A 52 3.729 0.406 -23.636 1.00 44.54 H new ATOM 0 HH12 ARG A 52 4.753 1.395 -22.589 1.00 44.54 H new ATOM 0 HH21 ARG A 52 7.368 -0.965 -22.458 1.00 5.22 H new ATOM 0 HH22 ARG A 52 6.805 0.622 -21.925 1.00 5.22 H new ATOM 666 N LEU A 53 3.542 -2.865 -21.453 1.00 42.23 N ATOM 667 CA LEU A 53 2.894 -2.346 -20.254 1.00 55.21 C ATOM 668 C LEU A 53 2.149 -1.049 -20.556 1.00 3.14 C ATOM 669 O LEU A 53 2.713 -0.114 -21.125 1.00 62.15 O ATOM 670 CB LEU A 53 3.928 -2.109 -19.153 1.00 21.24 C ATOM 671 CG LEU A 53 3.482 -1.219 -17.992 1.00 75.12 C ATOM 672 CD1 LEU A 53 2.342 -1.873 -17.226 1.00 2.21 C ATOM 673 CD2 LEU A 53 4.651 -0.925 -17.064 1.00 64.35 C ATOM 0 H LEU A 53 3.957 -2.150 -22.051 1.00 42.23 H new ATOM 0 HA LEU A 53 2.172 -3.087 -19.912 1.00 55.21 H new ATOM 0 HB2 LEU A 53 4.227 -3.076 -18.749 1.00 21.24 H new ATOM 0 HB3 LEU A 53 4.815 -1.665 -19.605 1.00 21.24 H new ATOM 0 HG LEU A 53 3.124 -0.274 -18.401 1.00 75.12 H new ATOM 0 HD11 LEU A 53 2.038 -1.226 -16.404 1.00 2.21 H new ATOM 0 HD12 LEU A 53 1.497 -2.030 -17.896 1.00 2.21 H new ATOM 0 HD13 LEU A 53 2.674 -2.832 -16.829 1.00 2.21 H new ATOM 0 HD21 LEU A 53 4.314 -0.291 -16.244 1.00 64.35 H new ATOM 0 HD22 LEU A 53 5.041 -1.860 -16.662 1.00 64.35 H new ATOM 0 HD23 LEU A 53 5.437 -0.413 -17.620 1.00 64.35 H new ATOM 685 N THR A 54 0.879 -0.998 -20.168 1.00 13.35 N ATOM 686 CA THR A 54 0.057 0.184 -20.395 1.00 1.31 C ATOM 687 C THR A 54 -0.600 0.654 -19.102 1.00 74.13 C ATOM 688 O THR A 54 -1.231 -0.132 -18.394 1.00 44.31 O ATOM 689 CB THR A 54 -1.037 -0.085 -21.445 1.00 63.34 C ATOM 690 OG1 THR A 54 -0.764 -1.312 -22.133 1.00 0.51 O ATOM 691 CG2 THR A 54 -1.118 1.056 -22.447 1.00 40.44 C ATOM 0 H THR A 54 0.397 -1.762 -19.695 1.00 13.35 H new ATOM 0 HA THR A 54 0.722 0.964 -20.766 1.00 1.31 H new ATOM 0 HB THR A 54 -1.994 -0.163 -20.929 1.00 63.34 H new ATOM 0 HG1 THR A 54 -1.465 -1.477 -22.798 1.00 0.51 H new ATOM 0 HG21 THR A 54 -1.898 0.843 -23.178 1.00 40.44 H new ATOM 0 HG22 THR A 54 -1.354 1.983 -21.924 1.00 40.44 H new ATOM 0 HG23 THR A 54 -0.161 1.161 -22.957 1.00 40.44 H new ATOM 699 N TYR A 55 -0.450 1.939 -18.801 1.00 34.22 N ATOM 700 CA TYR A 55 -1.029 2.513 -17.592 1.00 22.45 C ATOM 701 C TYR A 55 -1.777 3.805 -17.906 1.00 24.25 C ATOM 702 O TYR A 55 -1.233 4.715 -18.531 1.00 4.33 O ATOM 703 CB TYR A 55 0.065 2.782 -16.556 1.00 75.32 C ATOM 704 CG TYR A 55 -0.408 3.598 -15.375 1.00 12.14 C ATOM 705 CD1 TYR A 55 -1.651 3.366 -14.798 1.00 1.22 C ATOM 706 CD2 TYR A 55 0.387 4.602 -14.836 1.00 30.24 C ATOM 707 CE1 TYR A 55 -2.088 4.110 -13.719 1.00 25.04 C ATOM 708 CE2 TYR A 55 -0.041 5.349 -13.756 1.00 2.54 C ATOM 709 CZ TYR A 55 -1.279 5.100 -13.201 1.00 3.02 C ATOM 710 OH TYR A 55 -1.709 5.844 -12.126 1.00 20.41 O ATOM 0 H TYR A 55 0.067 2.603 -19.377 1.00 34.22 H new ATOM 0 HA TYR A 55 -1.739 1.794 -17.183 1.00 22.45 H new ATOM 0 HB2 TYR A 55 0.455 1.830 -16.196 1.00 75.32 H new ATOM 0 HB3 TYR A 55 0.891 3.303 -17.039 1.00 75.32 H new ATOM 0 HD1 TYR A 55 -2.286 2.591 -15.200 1.00 1.22 H new ATOM 0 HD2 TYR A 55 1.356 4.802 -15.269 1.00 30.24 H new ATOM 0 HE1 TYR A 55 -3.057 3.918 -13.284 1.00 25.04 H new ATOM 0 HE2 TYR A 55 0.591 6.124 -13.348 1.00 2.54 H new ATOM 0 HH TYR A 55 -1.713 5.284 -11.322 1.00 20.41 H new ATOM 720 N LYS A 56 -3.028 3.878 -17.466 1.00 75.32 N ATOM 721 CA LYS A 56 -3.853 5.058 -17.697 1.00 34.30 C ATOM 722 C LYS A 56 -3.936 5.381 -19.185 1.00 75.23 C ATOM 723 O LYS A 56 -4.007 6.546 -19.575 1.00 32.35 O ATOM 724 CB LYS A 56 -3.288 6.258 -16.934 1.00 65.25 C ATOM 725 CG LYS A 56 -4.284 7.390 -16.757 1.00 1.41 C ATOM 726 CD LYS A 56 -4.858 7.413 -15.350 1.00 62.21 C ATOM 727 CE LYS A 56 -5.959 6.378 -15.181 1.00 32.51 C ATOM 728 NZ LYS A 56 -5.611 5.360 -14.151 1.00 2.34 N ATOM 0 H LYS A 56 -3.493 3.133 -16.947 1.00 75.32 H new ATOM 0 HA LYS A 56 -4.858 4.845 -17.333 1.00 34.30 H new ATOM 0 HB2 LYS A 56 -2.949 5.927 -15.952 1.00 65.25 H new ATOM 0 HB3 LYS A 56 -2.413 6.635 -17.463 1.00 65.25 H new ATOM 0 HG2 LYS A 56 -3.796 8.342 -16.967 1.00 1.41 H new ATOM 0 HG3 LYS A 56 -5.093 7.280 -17.479 1.00 1.41 H new ATOM 0 HD2 LYS A 56 -4.064 7.222 -14.629 1.00 62.21 H new ATOM 0 HD3 LYS A 56 -5.253 8.405 -15.133 1.00 62.21 H new ATOM 0 HE2 LYS A 56 -6.886 6.877 -14.899 1.00 32.51 H new ATOM 0 HE3 LYS A 56 -6.141 5.882 -16.135 1.00 32.51 H new ATOM 0 HZ1 LYS A 56 -6.387 4.673 -14.066 1.00 2.34 H new ATOM 0 HZ2 LYS A 56 -4.740 4.866 -14.432 1.00 2.34 H new ATOM 0 HZ3 LYS A 56 -5.463 5.830 -13.235 1.00 2.34 H new ATOM 742 N GLY A 57 -3.929 4.341 -20.014 1.00 21.33 N ATOM 743 CA GLY A 57 -4.005 4.535 -21.450 1.00 13.52 C ATOM 744 C GLY A 57 -2.730 5.118 -22.025 1.00 5.25 C ATOM 745 O GLY A 57 -2.686 5.502 -23.193 1.00 52.53 O ATOM 0 H GLY A 57 -3.872 3.367 -19.716 1.00 21.33 H new ATOM 0 HA2 GLY A 57 -4.214 3.580 -21.932 1.00 13.52 H new ATOM 0 HA3 GLY A 57 -4.840 5.197 -21.680 1.00 13.52 H new ATOM 749 N ARG A 58 -1.688 5.186 -21.201 1.00 73.23 N ATOM 750 CA ARG A 58 -0.406 5.729 -21.634 1.00 34.21 C ATOM 751 C ARG A 58 0.720 4.732 -21.379 1.00 63.32 C ATOM 752 O ARG A 58 0.616 3.872 -20.505 1.00 11.34 O ATOM 753 CB ARG A 58 -0.113 7.042 -20.907 1.00 13.43 C ATOM 754 CG ARG A 58 0.608 8.067 -21.767 1.00 53.11 C ATOM 755 CD ARG A 58 0.690 9.418 -21.074 1.00 31.04 C ATOM 756 NE ARG A 58 1.154 10.469 -21.975 1.00 74.14 N ATOM 757 CZ ARG A 58 0.400 11.004 -22.930 1.00 22.41 C ATOM 758 NH1 ARG A 58 -0.847 10.588 -23.106 1.00 4.24 N ATOM 759 NH2 ARG A 58 0.894 11.956 -23.711 1.00 15.33 N ATOM 0 H ARG A 58 -1.707 4.872 -20.231 1.00 73.23 H new ATOM 0 HA ARG A 58 -0.464 5.920 -22.706 1.00 34.21 H new ATOM 0 HB2 ARG A 58 -1.052 7.471 -20.556 1.00 13.43 H new ATOM 0 HB3 ARG A 58 0.491 6.832 -20.024 1.00 13.43 H new ATOM 0 HG2 ARG A 58 1.613 7.711 -21.993 1.00 53.11 H new ATOM 0 HG3 ARG A 58 0.087 8.176 -22.718 1.00 53.11 H new ATOM 0 HD2 ARG A 58 -0.292 9.684 -20.682 1.00 31.04 H new ATOM 0 HD3 ARG A 58 1.365 9.347 -20.221 1.00 31.04 H new ATOM 0 HE ARG A 58 2.109 10.811 -21.866 1.00 74.14 H new ATOM 0 HH11 ARG A 58 -1.230 9.856 -22.508 1.00 4.24 H new ATOM 0 HH12 ARG A 58 -1.423 11.000 -23.840 1.00 4.24 H new ATOM 0 HH21 ARG A 58 1.853 12.278 -23.579 1.00 15.33 H new ATOM 0 HH22 ARG A 58 0.315 12.366 -24.444 1.00 15.33 H new ATOM 773 N ALA A 59 1.796 4.853 -22.150 1.00 23.13 N ATOM 774 CA ALA A 59 2.942 3.964 -22.007 1.00 24.14 C ATOM 775 C ALA A 59 4.092 4.661 -21.287 1.00 52.41 C ATOM 776 O ALA A 59 4.620 5.666 -21.766 1.00 74.15 O ATOM 777 CB ALA A 59 3.396 3.464 -23.370 1.00 44.43 C ATOM 0 H ALA A 59 1.898 5.558 -22.880 1.00 23.13 H new ATOM 0 HA ALA A 59 2.634 3.110 -21.403 1.00 24.14 H new ATOM 0 HB1 ALA A 59 4.253 2.801 -23.248 1.00 44.43 H new ATOM 0 HB2 ALA A 59 2.581 2.920 -23.848 1.00 44.43 H new ATOM 0 HB3 ALA A 59 3.680 4.312 -23.993 1.00 44.43 H new ATOM 783 N LEU A 60 4.475 4.124 -20.134 1.00 60.24 N ATOM 784 CA LEU A 60 5.562 4.695 -19.348 1.00 4.44 C ATOM 785 C LEU A 60 6.836 3.869 -19.497 1.00 74.30 C ATOM 786 O LEU A 60 6.782 2.669 -19.767 1.00 33.42 O ATOM 787 CB LEU A 60 5.163 4.777 -17.873 1.00 65.51 C ATOM 788 CG LEU A 60 3.990 5.701 -17.545 1.00 62.41 C ATOM 789 CD1 LEU A 60 2.668 5.012 -17.845 1.00 20.41 C ATOM 790 CD2 LEU A 60 4.047 6.139 -16.089 1.00 23.31 C ATOM 0 H LEU A 60 4.049 3.294 -19.723 1.00 60.24 H new ATOM 0 HA LEU A 60 5.758 5.700 -19.722 1.00 4.44 H new ATOM 0 HB2 LEU A 60 4.916 3.773 -17.528 1.00 65.51 H new ATOM 0 HB3 LEU A 60 6.030 5.107 -17.301 1.00 65.51 H new ATOM 0 HG LEU A 60 4.065 6.588 -18.174 1.00 62.41 H new ATOM 0 HD11 LEU A 60 1.845 5.685 -17.605 1.00 20.41 H new ATOM 0 HD12 LEU A 60 2.626 4.749 -18.902 1.00 20.41 H new ATOM 0 HD13 LEU A 60 2.584 4.107 -17.243 1.00 20.41 H new ATOM 0 HD21 LEU A 60 3.204 6.796 -15.873 1.00 23.31 H new ATOM 0 HD22 LEU A 60 3.998 5.262 -15.443 1.00 23.31 H new ATOM 0 HD23 LEU A 60 4.980 6.673 -15.906 1.00 23.31 H new ATOM 802 N LYS A 61 7.981 4.518 -19.318 1.00 11.02 N ATOM 803 CA LYS A 61 9.269 3.844 -19.429 1.00 32.42 C ATOM 804 C LYS A 61 10.384 4.701 -18.839 1.00 64.41 C ATOM 805 O LYS A 61 10.870 4.433 -17.740 1.00 43.20 O ATOM 806 CB LYS A 61 9.576 3.525 -20.894 1.00 22.23 C ATOM 807 CG LYS A 61 8.786 4.369 -21.879 1.00 2.14 C ATOM 808 CD LYS A 61 9.258 4.149 -23.306 1.00 60.51 C ATOM 809 CE LYS A 61 8.614 2.915 -23.922 1.00 4.54 C ATOM 810 NZ LYS A 61 9.528 2.233 -24.879 1.00 72.42 N ATOM 0 H LYS A 61 8.043 5.511 -19.095 1.00 11.02 H new ATOM 0 HA LYS A 61 9.214 2.913 -18.865 1.00 32.42 H new ATOM 0 HB2 LYS A 61 10.641 3.673 -21.074 1.00 22.23 H new ATOM 0 HB3 LYS A 61 9.365 2.472 -21.080 1.00 22.23 H new ATOM 0 HG2 LYS A 61 7.727 4.123 -21.803 1.00 2.14 H new ATOM 0 HG3 LYS A 61 8.887 5.423 -21.620 1.00 2.14 H new ATOM 0 HD2 LYS A 61 9.019 5.025 -23.909 1.00 60.51 H new ATOM 0 HD3 LYS A 61 10.342 4.040 -23.319 1.00 60.51 H new ATOM 0 HE2 LYS A 61 8.331 2.220 -23.132 1.00 4.54 H new ATOM 0 HE3 LYS A 61 7.697 3.202 -24.437 1.00 4.54 H new ATOM 0 HZ1 LYS A 61 9.053 1.398 -25.277 1.00 72.42 H new ATOM 0 HZ2 LYS A 61 9.778 2.888 -25.647 1.00 72.42 H new ATOM 0 HZ3 LYS A 61 10.392 1.936 -24.382 1.00 72.42 H new ATOM 824 N ASP A 62 10.784 5.731 -19.576 1.00 3.35 N ATOM 825 CA ASP A 62 11.841 6.629 -19.124 1.00 11.30 C ATOM 826 C ASP A 62 11.324 7.579 -18.047 1.00 61.45 C ATOM 827 O ASP A 62 12.088 8.347 -17.462 1.00 43.14 O ATOM 828 CB ASP A 62 12.398 7.429 -20.303 1.00 12.45 C ATOM 829 CG ASP A 62 13.753 6.923 -20.757 1.00 55.34 C ATOM 830 OD1 ASP A 62 14.772 7.357 -20.181 1.00 54.41 O ATOM 831 OD2 ASP A 62 13.794 6.094 -21.690 1.00 72.23 O ATOM 0 H ASP A 62 10.393 5.965 -20.488 1.00 3.35 H new ATOM 0 HA ASP A 62 12.640 6.024 -18.696 1.00 11.30 H new ATOM 0 HB2 ASP A 62 11.697 7.379 -21.136 1.00 12.45 H new ATOM 0 HB3 ASP A 62 12.481 8.478 -20.019 1.00 12.45 H new ATOM 836 N THR A 63 10.021 7.521 -17.791 1.00 11.31 N ATOM 837 CA THR A 63 9.401 8.377 -16.787 1.00 22.10 C ATOM 838 C THR A 63 10.024 8.153 -15.414 1.00 3.52 C ATOM 839 O THR A 63 9.903 8.994 -14.524 1.00 0.24 O ATOM 840 CB THR A 63 7.884 8.128 -16.696 1.00 53.12 C ATOM 841 OG1 THR A 63 7.384 7.679 -17.961 1.00 3.31 O ATOM 842 CG2 THR A 63 7.152 9.394 -16.277 1.00 0.14 C ATOM 0 H THR A 63 9.375 6.890 -18.265 1.00 11.31 H new ATOM 0 HA THR A 63 9.575 9.407 -17.099 1.00 22.10 H new ATOM 0 HB THR A 63 7.709 7.360 -15.943 1.00 53.12 H new ATOM 0 HG1 THR A 63 6.419 7.521 -17.894 1.00 3.31 H new ATOM 0 HG21 THR A 63 6.082 9.194 -16.220 1.00 0.14 H new ATOM 0 HG22 THR A 63 7.514 9.717 -15.301 1.00 0.14 H new ATOM 0 HG23 THR A 63 7.335 10.180 -17.010 1.00 0.14 H new ATOM 850 N GLU A 64 10.692 7.016 -15.250 1.00 33.51 N ATOM 851 CA GLU A 64 11.334 6.683 -13.984 1.00 32.04 C ATOM 852 C GLU A 64 10.304 6.577 -12.863 1.00 33.43 C ATOM 853 O GLU A 64 9.839 5.485 -12.531 1.00 42.24 O ATOM 854 CB GLU A 64 12.385 7.736 -13.627 1.00 53.30 C ATOM 855 CG GLU A 64 12.983 7.555 -12.242 1.00 53.10 C ATOM 856 CD GLU A 64 14.274 8.329 -12.058 1.00 71.42 C ATOM 857 OE1 GLU A 64 14.268 9.556 -12.289 1.00 74.15 O ATOM 858 OE2 GLU A 64 15.290 7.707 -11.684 1.00 2.33 O ATOM 0 H GLU A 64 10.803 6.310 -15.978 1.00 33.51 H new ATOM 0 HA GLU A 64 11.823 5.716 -14.098 1.00 32.04 H new ATOM 0 HB2 GLU A 64 13.185 7.703 -14.366 1.00 53.30 H new ATOM 0 HB3 GLU A 64 11.932 8.725 -13.691 1.00 53.30 H new ATOM 0 HG2 GLU A 64 12.260 7.878 -11.493 1.00 53.10 H new ATOM 0 HG3 GLU A 64 13.171 6.496 -12.067 1.00 53.10 H new ATOM 865 N THR A 65 9.951 7.719 -12.281 1.00 33.20 N ATOM 866 CA THR A 65 8.978 7.755 -11.197 1.00 13.35 C ATOM 867 C THR A 65 7.603 8.174 -11.705 1.00 70.12 C ATOM 868 O THR A 65 7.484 8.799 -12.760 1.00 33.02 O ATOM 869 CB THR A 65 9.416 8.723 -10.081 1.00 21.42 C ATOM 870 OG1 THR A 65 8.379 8.842 -9.101 1.00 2.05 O ATOM 871 CG2 THR A 65 9.742 10.095 -10.651 1.00 60.33 C ATOM 0 H THR A 65 10.325 8.631 -12.543 1.00 33.20 H new ATOM 0 HA THR A 65 8.920 6.745 -10.791 1.00 13.35 H new ATOM 0 HB THR A 65 10.314 8.320 -9.612 1.00 21.42 H new ATOM 0 HG1 THR A 65 8.666 9.457 -8.394 1.00 2.05 H new ATOM 0 HG21 THR A 65 10.049 10.761 -9.844 1.00 60.33 H new ATOM 0 HG22 THR A 65 10.552 10.005 -11.375 1.00 60.33 H new ATOM 0 HG23 THR A 65 8.859 10.504 -11.143 1.00 60.33 H new ATOM 879 N LEU A 66 6.567 7.826 -10.950 1.00 0.53 N ATOM 880 CA LEU A 66 5.199 8.167 -11.324 1.00 12.21 C ATOM 881 C LEU A 66 4.570 9.103 -10.297 1.00 3.34 C ATOM 882 O LEU A 66 3.563 9.755 -10.571 1.00 63.23 O ATOM 883 CB LEU A 66 4.355 6.899 -11.458 1.00 71.53 C ATOM 884 CG LEU A 66 3.647 6.702 -12.800 1.00 23.15 C ATOM 885 CD1 LEU A 66 3.039 5.311 -12.883 1.00 71.32 C ATOM 886 CD2 LEU A 66 2.578 7.766 -13.000 1.00 5.43 C ATOM 0 H LEU A 66 6.648 7.308 -10.075 1.00 0.53 H new ATOM 0 HA LEU A 66 5.229 8.680 -12.285 1.00 12.21 H new ATOM 0 HB2 LEU A 66 4.999 6.038 -11.280 1.00 71.53 H new ATOM 0 HB3 LEU A 66 3.602 6.903 -10.670 1.00 71.53 H new ATOM 0 HG LEU A 66 4.384 6.802 -13.596 1.00 23.15 H new ATOM 0 HD11 LEU A 66 2.540 5.189 -13.844 1.00 71.32 H new ATOM 0 HD12 LEU A 66 3.826 4.563 -12.786 1.00 71.32 H new ATOM 0 HD13 LEU A 66 2.315 5.182 -12.079 1.00 71.32 H new ATOM 0 HD21 LEU A 66 2.085 7.610 -13.960 1.00 5.43 H new ATOM 0 HD22 LEU A 66 1.842 7.698 -12.199 1.00 5.43 H new ATOM 0 HD23 LEU A 66 3.040 8.753 -12.985 1.00 5.43 H new ATOM 898 N GLU A 67 5.173 9.166 -9.113 1.00 63.25 N ATOM 899 CA GLU A 67 4.673 10.024 -8.046 1.00 34.30 C ATOM 900 C GLU A 67 4.625 11.481 -8.496 1.00 61.03 C ATOM 901 O GLU A 67 3.710 12.223 -8.139 1.00 71.42 O ATOM 902 CB GLU A 67 5.552 9.892 -6.801 1.00 33.44 C ATOM 903 CG GLU A 67 4.764 9.678 -5.519 1.00 54.21 C ATOM 904 CD GLU A 67 5.547 10.068 -4.281 1.00 10.03 C ATOM 905 OE1 GLU A 67 6.792 9.976 -4.314 1.00 1.51 O ATOM 906 OE2 GLU A 67 4.916 10.464 -3.279 1.00 13.11 O ATOM 0 H GLU A 67 6.008 8.633 -8.870 1.00 63.25 H new ATOM 0 HA GLU A 67 3.660 9.704 -7.802 1.00 34.30 H new ATOM 0 HB2 GLU A 67 6.239 9.057 -6.939 1.00 33.44 H new ATOM 0 HB3 GLU A 67 6.159 10.791 -6.698 1.00 33.44 H new ATOM 0 HG2 GLU A 67 3.844 10.261 -5.561 1.00 54.21 H new ATOM 0 HG3 GLU A 67 4.474 8.630 -5.446 1.00 54.21 H new ATOM 913 N SER A 68 5.618 11.884 -9.282 1.00 45.01 N ATOM 914 CA SER A 68 5.693 13.253 -9.778 1.00 44.31 C ATOM 915 C SER A 68 4.518 13.562 -10.701 1.00 22.22 C ATOM 916 O SER A 68 4.232 14.724 -10.994 1.00 31.52 O ATOM 917 CB SER A 68 7.012 13.478 -10.521 1.00 20.24 C ATOM 918 OG SER A 68 7.182 14.844 -10.856 1.00 5.14 O ATOM 0 H SER A 68 6.382 11.282 -9.589 1.00 45.01 H new ATOM 0 HA SER A 68 5.647 13.926 -8.922 1.00 44.31 H new ATOM 0 HB2 SER A 68 7.844 13.146 -9.900 1.00 20.24 H new ATOM 0 HB3 SER A 68 7.030 12.873 -11.428 1.00 20.24 H new ATOM 0 HG SER A 68 8.033 14.962 -11.328 1.00 5.14 H new ATOM 924 N LEU A 69 3.841 12.514 -11.156 1.00 33.31 N ATOM 925 CA LEU A 69 2.696 12.671 -12.046 1.00 35.31 C ATOM 926 C LEU A 69 1.386 12.573 -11.270 1.00 73.35 C ATOM 927 O LEU A 69 0.324 12.932 -11.777 1.00 50.43 O ATOM 928 CB LEU A 69 2.731 11.609 -13.146 1.00 74.15 C ATOM 929 CG LEU A 69 3.556 11.954 -14.386 1.00 43.22 C ATOM 930 CD1 LEU A 69 4.954 12.403 -13.989 1.00 11.23 C ATOM 931 CD2 LEU A 69 3.625 10.763 -15.330 1.00 63.50 C ATOM 0 H LEU A 69 4.065 11.546 -10.924 1.00 33.31 H new ATOM 0 HA LEU A 69 2.754 13.659 -12.502 1.00 35.31 H new ATOM 0 HB2 LEU A 69 3.122 10.685 -12.719 1.00 74.15 H new ATOM 0 HB3 LEU A 69 1.707 11.406 -13.460 1.00 74.15 H new ATOM 0 HG LEU A 69 3.066 12.777 -14.907 1.00 43.22 H new ATOM 0 HD11 LEU A 69 5.527 12.644 -14.884 1.00 11.23 H new ATOM 0 HD12 LEU A 69 4.886 13.286 -13.353 1.00 11.23 H new ATOM 0 HD13 LEU A 69 5.453 11.601 -13.445 1.00 11.23 H new ATOM 0 HD21 LEU A 69 4.216 11.027 -16.207 1.00 63.50 H new ATOM 0 HD22 LEU A 69 4.091 9.920 -14.819 1.00 63.50 H new ATOM 0 HD23 LEU A 69 2.618 10.487 -15.642 1.00 63.50 H new ATOM 943 N GLY A 70 1.469 12.085 -10.036 1.00 64.34 N ATOM 944 CA GLY A 70 0.284 11.950 -9.210 1.00 1.21 C ATOM 945 C GLY A 70 -0.239 10.528 -9.173 1.00 24.21 C ATOM 946 O GLY A 70 -1.418 10.285 -9.430 1.00 22.01 O ATOM 0 H GLY A 70 2.336 11.781 -9.594 1.00 64.34 H new ATOM 0 HA2 GLY A 70 0.513 12.276 -8.195 1.00 1.21 H new ATOM 0 HA3 GLY A 70 -0.496 12.611 -9.588 1.00 1.21 H new ATOM 950 N VAL A 71 0.641 9.584 -8.854 1.00 22.23 N ATOM 951 CA VAL A 71 0.262 8.178 -8.785 1.00 23.53 C ATOM 952 C VAL A 71 -0.175 7.795 -7.375 1.00 63.32 C ATOM 953 O VAL A 71 0.404 8.251 -6.390 1.00 13.24 O ATOM 954 CB VAL A 71 1.423 7.262 -9.217 1.00 72.30 C ATOM 955 CG1 VAL A 71 2.557 7.322 -8.205 1.00 13.40 C ATOM 956 CG2 VAL A 71 0.934 5.832 -9.397 1.00 42.44 C ATOM 0 H VAL A 71 1.621 9.768 -8.639 1.00 22.23 H new ATOM 0 HA VAL A 71 -0.574 8.041 -9.471 1.00 23.53 H new ATOM 0 HB VAL A 71 1.804 7.616 -10.175 1.00 72.30 H new ATOM 0 HG11 VAL A 71 3.368 6.668 -8.528 1.00 13.40 H new ATOM 0 HG12 VAL A 71 2.924 8.346 -8.130 1.00 13.40 H new ATOM 0 HG13 VAL A 71 2.193 6.995 -7.231 1.00 13.40 H new ATOM 0 HG21 VAL A 71 1.767 5.198 -9.702 1.00 42.44 H new ATOM 0 HG22 VAL A 71 0.526 5.466 -8.455 1.00 42.44 H new ATOM 0 HG23 VAL A 71 0.159 5.806 -10.163 1.00 42.44 H new ATOM 966 N ALA A 72 -1.200 6.953 -7.287 1.00 44.14 N ATOM 967 CA ALA A 72 -1.713 6.506 -5.998 1.00 40.45 C ATOM 968 C ALA A 72 -1.629 4.989 -5.870 1.00 50.30 C ATOM 969 O ALA A 72 -1.761 4.265 -6.857 1.00 33.02 O ATOM 970 CB ALA A 72 -3.148 6.975 -5.811 1.00 12.31 C ATOM 0 H ALA A 72 -1.691 6.567 -8.093 1.00 44.14 H new ATOM 0 HA ALA A 72 -1.094 6.945 -5.216 1.00 40.45 H new ATOM 0 HB1 ALA A 72 -3.519 6.634 -4.844 1.00 12.31 H new ATOM 0 HB2 ALA A 72 -3.183 8.064 -5.850 1.00 12.31 H new ATOM 0 HB3 ALA A 72 -3.772 6.563 -6.605 1.00 12.31 H new ATOM 976 N ASP A 73 -1.408 4.515 -4.649 1.00 41.00 N ATOM 977 CA ASP A 73 -1.307 3.083 -4.392 1.00 5.23 C ATOM 978 C ASP A 73 -2.619 2.378 -4.721 1.00 24.34 C ATOM 979 O ASP A 73 -3.699 2.933 -4.527 1.00 32.00 O ATOM 980 CB ASP A 73 -0.930 2.831 -2.931 1.00 1.32 C ATOM 981 CG ASP A 73 -2.042 3.211 -1.973 1.00 3.14 C ATOM 982 OD1 ASP A 73 -2.802 4.149 -2.289 1.00 12.40 O ATOM 983 OD2 ASP A 73 -2.151 2.571 -0.906 1.00 24.42 O ATOM 0 H ASP A 73 -1.295 5.101 -3.822 1.00 41.00 H new ATOM 0 HA ASP A 73 -0.526 2.677 -5.036 1.00 5.23 H new ATOM 0 HB2 ASP A 73 -0.684 1.777 -2.799 1.00 1.32 H new ATOM 0 HB3 ASP A 73 -0.033 3.400 -2.687 1.00 1.32 H new ATOM 988 N GLY A 74 -2.516 1.150 -5.220 1.00 65.14 N ATOM 989 CA GLY A 74 -3.701 0.389 -5.570 1.00 11.25 C ATOM 990 C GLY A 74 -4.085 0.550 -7.027 1.00 64.22 C ATOM 991 O GLY A 74 -5.249 0.387 -7.391 1.00 55.51 O ATOM 0 H GLY A 74 -1.633 0.669 -5.388 1.00 65.14 H new ATOM 0 HA2 GLY A 74 -3.527 -0.666 -5.358 1.00 11.25 H new ATOM 0 HA3 GLY A 74 -4.532 0.708 -4.941 1.00 11.25 H new ATOM 995 N ASP A 75 -3.104 0.871 -7.863 1.00 64.13 N ATOM 996 CA ASP A 75 -3.344 1.054 -9.290 1.00 12.41 C ATOM 997 C ASP A 75 -3.252 -0.275 -10.032 1.00 22.20 C ATOM 998 O ASP A 75 -2.535 -1.184 -9.613 1.00 64.11 O ATOM 999 CB ASP A 75 -2.341 2.050 -9.874 1.00 64.43 C ATOM 1000 CG ASP A 75 -2.665 3.484 -9.505 1.00 31.34 C ATOM 1001 OD1 ASP A 75 -3.802 3.737 -9.056 1.00 54.41 O ATOM 1002 OD2 ASP A 75 -1.782 4.352 -9.665 1.00 11.44 O ATOM 0 H ASP A 75 -2.135 1.010 -7.577 1.00 64.13 H new ATOM 0 HA ASP A 75 -4.352 1.450 -9.416 1.00 12.41 H new ATOM 0 HB2 ASP A 75 -1.340 1.804 -9.518 1.00 64.43 H new ATOM 0 HB3 ASP A 75 -2.327 1.952 -10.959 1.00 64.43 H new ATOM 1007 N LYS A 76 -3.983 -0.383 -11.136 1.00 51.21 N ATOM 1008 CA LYS A 76 -3.985 -1.601 -11.938 1.00 5.41 C ATOM 1009 C LYS A 76 -3.381 -1.346 -13.315 1.00 51.14 C ATOM 1010 O LYS A 76 -3.774 -0.411 -14.013 1.00 54.22 O ATOM 1011 CB LYS A 76 -5.410 -2.137 -12.085 1.00 72.12 C ATOM 1012 CG LYS A 76 -6.323 -1.226 -12.888 1.00 21.30 C ATOM 1013 CD LYS A 76 -7.779 -1.642 -12.759 1.00 42.21 C ATOM 1014 CE LYS A 76 -8.546 -0.706 -11.838 1.00 10.13 C ATOM 1015 NZ LYS A 76 -8.737 0.639 -12.448 1.00 12.15 N ATOM 0 H LYS A 76 -4.583 0.359 -11.496 1.00 51.21 H new ATOM 0 HA LYS A 76 -3.375 -2.345 -11.426 1.00 5.41 H new ATOM 0 HB2 LYS A 76 -5.374 -3.115 -12.565 1.00 72.12 H new ATOM 0 HB3 LYS A 76 -5.838 -2.284 -11.093 1.00 72.12 H new ATOM 0 HG2 LYS A 76 -6.206 -0.198 -12.545 1.00 21.30 H new ATOM 0 HG3 LYS A 76 -6.029 -1.248 -13.937 1.00 21.30 H new ATOM 0 HD2 LYS A 76 -8.246 -1.648 -13.744 1.00 42.21 H new ATOM 0 HD3 LYS A 76 -7.835 -2.660 -12.374 1.00 42.21 H new ATOM 0 HE2 LYS A 76 -9.518 -1.141 -11.606 1.00 10.13 H new ATOM 0 HE3 LYS A 76 -8.009 -0.604 -10.895 1.00 10.13 H new ATOM 0 HZ1 LYS A 76 -9.512 1.133 -11.962 1.00 12.15 H new ATOM 0 HZ2 LYS A 76 -7.861 1.191 -12.353 1.00 12.15 H new ATOM 0 HZ3 LYS A 76 -8.971 0.533 -13.456 1.00 12.15 H new ATOM 1029 N PHE A 77 -2.425 -2.184 -13.702 1.00 31.11 N ATOM 1030 CA PHE A 77 -1.768 -2.050 -14.997 1.00 1.43 C ATOM 1031 C PHE A 77 -2.114 -3.224 -15.907 1.00 74.20 C ATOM 1032 O PHE A 77 -2.364 -4.335 -15.438 1.00 52.15 O ATOM 1033 CB PHE A 77 -0.251 -1.960 -14.816 1.00 32.13 C ATOM 1034 CG PHE A 77 0.173 -0.927 -13.811 1.00 32.31 C ATOM 1035 CD1 PHE A 77 -0.496 0.283 -13.718 1.00 25.13 C ATOM 1036 CD2 PHE A 77 1.239 -1.167 -12.959 1.00 41.23 C ATOM 1037 CE1 PHE A 77 -0.107 1.235 -12.795 1.00 1.15 C ATOM 1038 CE2 PHE A 77 1.632 -0.218 -12.034 1.00 20.43 C ATOM 1039 CZ PHE A 77 0.957 0.984 -11.951 1.00 23.33 C ATOM 0 H PHE A 77 -2.088 -2.963 -13.137 1.00 31.11 H new ATOM 0 HA PHE A 77 -2.126 -1.133 -15.465 1.00 1.43 H new ATOM 0 HB2 PHE A 77 0.128 -2.934 -14.506 1.00 32.13 H new ATOM 0 HB3 PHE A 77 0.209 -1.730 -15.777 1.00 32.13 H new ATOM 0 HD1 PHE A 77 -1.330 0.484 -14.374 1.00 25.13 H new ATOM 0 HD2 PHE A 77 1.769 -2.106 -13.018 1.00 41.23 H new ATOM 0 HE1 PHE A 77 -0.635 2.175 -12.734 1.00 1.15 H new ATOM 0 HE2 PHE A 77 2.466 -0.416 -11.377 1.00 20.43 H new ATOM 0 HZ PHE A 77 1.261 1.726 -11.228 1.00 23.33 H new ATOM 1049 N VAL A 78 -2.128 -2.970 -17.212 1.00 21.03 N ATOM 1050 CA VAL A 78 -2.443 -4.005 -18.189 1.00 30.10 C ATOM 1051 C VAL A 78 -1.177 -4.553 -18.838 1.00 5.55 C ATOM 1052 O VAL A 78 -0.343 -3.794 -19.334 1.00 64.24 O ATOM 1053 CB VAL A 78 -3.381 -3.472 -19.289 1.00 25.13 C ATOM 1054 CG1 VAL A 78 -3.672 -4.557 -20.314 1.00 41.13 C ATOM 1055 CG2 VAL A 78 -4.670 -2.943 -18.679 1.00 21.33 C ATOM 0 H VAL A 78 -1.925 -2.056 -17.617 1.00 21.03 H new ATOM 0 HA VAL A 78 -2.947 -4.807 -17.649 1.00 30.10 H new ATOM 0 HB VAL A 78 -2.883 -2.648 -19.800 1.00 25.13 H new ATOM 0 HG11 VAL A 78 -4.336 -4.162 -21.083 1.00 41.13 H new ATOM 0 HG12 VAL A 78 -2.739 -4.884 -20.773 1.00 41.13 H new ATOM 0 HG13 VAL A 78 -4.150 -5.404 -19.822 1.00 41.13 H new ATOM 0 HG21 VAL A 78 -5.321 -2.570 -19.470 1.00 21.33 H new ATOM 0 HG22 VAL A 78 -5.175 -3.746 -18.142 1.00 21.33 H new ATOM 0 HG23 VAL A 78 -4.439 -2.133 -17.987 1.00 21.33 H new ATOM 1065 N LEU A 79 -1.038 -5.874 -18.830 1.00 13.30 N ATOM 1066 CA LEU A 79 0.127 -6.524 -19.418 1.00 62.44 C ATOM 1067 C LEU A 79 -0.220 -7.149 -20.766 1.00 52.31 C ATOM 1068 O LEU A 79 -1.224 -7.849 -20.896 1.00 75.31 O ATOM 1069 CB LEU A 79 0.670 -7.596 -18.472 1.00 33.44 C ATOM 1070 CG LEU A 79 2.138 -7.456 -18.070 1.00 3.14 C ATOM 1071 CD1 LEU A 79 2.457 -8.360 -16.889 1.00 4.20 C ATOM 1072 CD2 LEU A 79 3.047 -7.774 -19.248 1.00 74.43 C ATOM 0 H LEU A 79 -1.718 -6.516 -18.423 1.00 13.30 H new ATOM 0 HA LEU A 79 0.893 -5.765 -19.576 1.00 62.44 H new ATOM 0 HB2 LEU A 79 0.064 -7.593 -17.566 1.00 33.44 H new ATOM 0 HB3 LEU A 79 0.534 -8.570 -18.943 1.00 33.44 H new ATOM 0 HG LEU A 79 2.315 -6.423 -17.769 1.00 3.14 H new ATOM 0 HD11 LEU A 79 3.506 -8.247 -16.617 1.00 4.20 H new ATOM 0 HD12 LEU A 79 1.831 -8.085 -16.041 1.00 4.20 H new ATOM 0 HD13 LEU A 79 2.263 -9.397 -17.162 1.00 4.20 H new ATOM 0 HD21 LEU A 79 4.088 -7.669 -18.943 1.00 74.43 H new ATOM 0 HD22 LEU A 79 2.868 -8.796 -19.580 1.00 74.43 H new ATOM 0 HD23 LEU A 79 2.837 -7.085 -20.066 1.00 74.43 H new ATOM 1084 N ILE A 80 0.617 -6.892 -21.765 1.00 5.41 N ATOM 1085 CA ILE A 80 0.400 -7.431 -23.101 1.00 64.34 C ATOM 1086 C ILE A 80 1.421 -8.516 -23.429 1.00 44.50 C ATOM 1087 O ILE A 80 2.570 -8.456 -22.990 1.00 4.21 O ATOM 1088 CB ILE A 80 0.478 -6.328 -24.173 1.00 71.24 C ATOM 1089 CG1 ILE A 80 -0.473 -5.181 -23.826 1.00 34.22 C ATOM 1090 CG2 ILE A 80 0.150 -6.899 -25.545 1.00 53.40 C ATOM 1091 CD1 ILE A 80 -0.344 -3.989 -24.748 1.00 14.24 C ATOM 0 H ILE A 80 1.452 -6.313 -21.674 1.00 5.41 H new ATOM 0 HA ILE A 80 -0.601 -7.863 -23.108 1.00 64.34 H new ATOM 0 HB ILE A 80 1.495 -5.937 -24.197 1.00 71.24 H new ATOM 0 HG12 ILE A 80 -1.499 -5.547 -23.861 1.00 34.22 H new ATOM 0 HG13 ILE A 80 -0.284 -4.860 -22.802 1.00 34.22 H new ATOM 0 HG21 ILE A 80 0.209 -6.108 -26.292 1.00 53.40 H new ATOM 0 HG22 ILE A 80 0.863 -7.685 -25.792 1.00 53.40 H new ATOM 0 HG23 ILE A 80 -0.858 -7.314 -25.535 1.00 53.40 H new ATOM 0 HD11 ILE A 80 -1.048 -3.215 -24.443 1.00 14.24 H new ATOM 0 HD12 ILE A 80 0.672 -3.597 -24.696 1.00 14.24 H new ATOM 0 HD13 ILE A 80 -0.563 -4.295 -25.771 1.00 14.24 H new ATOM 1103 N THR A 81 0.995 -9.507 -24.206 1.00 3.22 N ATOM 1104 CA THR A 81 1.872 -10.605 -24.594 1.00 12.34 C ATOM 1105 C THR A 81 1.733 -10.921 -26.078 1.00 72.13 C ATOM 1106 O THR A 81 0.623 -11.067 -26.590 1.00 53.43 O ATOM 1107 CB THR A 81 1.572 -11.877 -23.779 1.00 24.31 C ATOM 1108 OG1 THR A 81 2.419 -12.947 -24.213 1.00 70.42 O ATOM 1109 CG2 THR A 81 0.114 -12.285 -23.928 1.00 44.21 C ATOM 0 H THR A 81 0.048 -9.572 -24.579 1.00 3.22 H new ATOM 0 HA THR A 81 2.893 -10.283 -24.388 1.00 12.34 H new ATOM 0 HB THR A 81 1.766 -11.663 -22.728 1.00 24.31 H new ATOM 0 HG1 THR A 81 2.224 -13.752 -23.689 1.00 70.42 H new ATOM 0 HG21 THR A 81 -0.073 -13.186 -23.343 1.00 44.21 H new ATOM 0 HG22 THR A 81 -0.528 -11.480 -23.570 1.00 44.21 H new ATOM 0 HG23 THR A 81 -0.103 -12.482 -24.978 1.00 44.21 H new ATOM 1117 N ARG A 82 2.866 -11.027 -26.765 1.00 11.04 N ATOM 1118 CA ARG A 82 2.870 -11.326 -28.192 1.00 12.15 C ATOM 1119 C ARG A 82 3.571 -12.653 -28.467 1.00 41.31 C ATOM 1120 O ARG A 82 4.439 -13.079 -27.705 1.00 24.20 O ATOM 1121 CB ARG A 82 3.558 -10.202 -28.968 1.00 4.11 C ATOM 1122 CG ARG A 82 2.608 -9.386 -29.829 1.00 44.12 C ATOM 1123 CD ARG A 82 3.017 -7.922 -29.877 1.00 24.05 C ATOM 1124 NE ARG A 82 4.251 -7.723 -30.632 1.00 5.45 N ATOM 1125 CZ ARG A 82 4.696 -6.530 -31.011 1.00 5.23 C ATOM 1126 NH1 ARG A 82 4.012 -5.436 -30.706 1.00 41.23 N ATOM 1127 NH2 ARG A 82 5.829 -6.430 -31.695 1.00 53.44 N ATOM 0 H ARG A 82 3.793 -10.910 -26.356 1.00 11.04 H new ATOM 0 HA ARG A 82 1.835 -11.406 -28.524 1.00 12.15 H new ATOM 0 HB2 ARG A 82 4.057 -9.538 -28.263 1.00 4.11 H new ATOM 0 HB3 ARG A 82 4.332 -10.632 -29.603 1.00 4.11 H new ATOM 0 HG2 ARG A 82 2.591 -9.793 -30.840 1.00 44.12 H new ATOM 0 HG3 ARG A 82 1.595 -9.469 -29.434 1.00 44.12 H new ATOM 0 HD2 ARG A 82 2.217 -7.337 -30.330 1.00 24.05 H new ATOM 0 HD3 ARG A 82 3.149 -7.549 -28.861 1.00 24.05 H new ATOM 0 HE ARG A 82 4.801 -8.545 -30.882 1.00 5.45 H new ATOM 0 HH11 ARG A 82 3.142 -5.509 -30.179 1.00 41.23 H new ATOM 0 HH12 ARG A 82 4.356 -4.521 -30.998 1.00 41.23 H new ATOM 0 HH21 ARG A 82 6.359 -7.269 -31.930 1.00 53.44 H new ATOM 0 HH22 ARG A 82 6.170 -5.514 -31.986 1.00 53.44 H new