USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 667 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 70 ASN : amide:sc= -0.479 K(o=-1.5,f=-4.8) USER MOD Set 1.2: A 82 TYR OH : rot -147:sc= -0.972 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0132) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -31:sc= 0.553 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 33 SER OG : rot 47:sc= 0.0488 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 55 SER OG : rot 180:sc= -0.201 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.971 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.085 USER MOD Single : A 64 LYS NZ :NH3+ -168:sc= -0.729 (180deg=-1.11) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0629 USER MOD Single : A 73 GLN : amide:sc= -3.13 K(o=-3.1,f=-4.4) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.904 USER MOD Single : A 77 ASN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 147:sc= -0.0396 (180deg=-1.21) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N ALA A 9 -3.958 7.655 -15.376 1.00 3.22 N ATOM 115 CA ALA A 9 -4.566 8.978 -15.436 1.00 10.52 C ATOM 116 C ALA A 9 -5.854 8.954 -16.252 1.00 43.23 C ATOM 117 O ALA A 9 -6.952 9.000 -15.698 1.00 71.01 O ATOM 118 CB ALA A 9 -3.586 9.984 -16.022 1.00 61.20 C ATOM 0 HA ALA A 9 -4.816 9.282 -14.420 1.00 10.52 H new ATOM 0 HB1 ALA A 9 -4.054 10.968 -16.061 1.00 61.20 H new ATOM 0 HB2 ALA A 9 -2.695 10.031 -15.396 1.00 61.20 H new ATOM 0 HB3 ALA A 9 -3.306 9.675 -17.029 1.00 61.20 H new ATOM 124 N ARG A 10 -5.711 8.883 -17.572 1.00 30.33 N ATOM 125 CA ARG A 10 -6.863 8.854 -18.464 1.00 54.53 C ATOM 126 C ARG A 10 -7.570 7.504 -18.398 1.00 23.44 C ATOM 127 O ARG A 10 -8.789 7.421 -18.548 1.00 3.24 O ATOM 128 CB ARG A 10 -6.429 9.144 -19.902 1.00 42.41 C ATOM 129 CG ARG A 10 -6.583 10.602 -20.303 1.00 2.53 C ATOM 130 CD ARG A 10 -5.589 11.490 -19.570 1.00 22.45 C ATOM 131 NE ARG A 10 -4.946 12.447 -20.465 1.00 45.21 N ATOM 132 CZ ARG A 10 -3.954 12.130 -21.290 1.00 52.15 C ATOM 133 NH1 ARG A 10 -3.495 10.887 -21.334 1.00 12.01 N ATOM 134 NH2 ARG A 10 -3.420 13.058 -22.075 1.00 31.50 N ATOM 0 H ARG A 10 -4.809 8.845 -18.046 1.00 30.33 H new ATOM 0 HA ARG A 10 -7.561 9.626 -18.139 1.00 54.53 H new ATOM 0 HB2 ARG A 10 -5.386 8.851 -20.024 1.00 42.41 H new ATOM 0 HB3 ARG A 10 -7.016 8.525 -20.581 1.00 42.41 H new ATOM 0 HG2 ARG A 10 -6.437 10.702 -21.379 1.00 2.53 H new ATOM 0 HG3 ARG A 10 -7.598 10.935 -20.087 1.00 2.53 H new ATOM 0 HD2 ARG A 10 -6.103 12.028 -18.773 1.00 22.45 H new ATOM 0 HD3 ARG A 10 -4.828 10.869 -19.097 1.00 22.45 H new ATOM 0 HE ARG A 10 -5.276 13.412 -20.457 1.00 45.21 H new ATOM 0 HH11 ARG A 10 -3.904 10.171 -20.733 1.00 12.01 H new ATOM 0 HH12 ARG A 10 -2.733 10.647 -21.968 1.00 12.01 H new ATOM 0 HH21 ARG A 10 -3.771 14.015 -22.045 1.00 31.50 H new ATOM 0 HH22 ARG A 10 -2.658 12.814 -22.708 1.00 31.50 H new ATOM 148 N SER A 11 -6.795 6.447 -18.172 1.00 53.13 N ATOM 149 CA SER A 11 -7.346 5.099 -18.090 1.00 42.32 C ATOM 150 C SER A 11 -8.348 4.991 -16.945 1.00 24.44 C ATOM 151 O SER A 11 -8.119 5.511 -15.854 1.00 11.14 O ATOM 152 CB SER A 11 -6.223 4.078 -17.899 1.00 70.35 C ATOM 153 OG SER A 11 -6.305 3.044 -18.865 1.00 32.52 O ATOM 0 H SER A 11 -5.785 6.498 -18.043 1.00 53.13 H new ATOM 0 HA SER A 11 -7.865 4.887 -19.025 1.00 42.32 H new ATOM 0 HB2 SER A 11 -5.257 4.577 -17.976 1.00 70.35 H new ATOM 0 HB3 SER A 11 -6.282 3.651 -16.898 1.00 70.35 H new ATOM 0 HG SER A 11 -5.576 2.405 -18.723 1.00 32.52 H new ATOM 159 N GLY A 12 -9.460 4.309 -17.202 1.00 51.32 N ATOM 160 CA GLY A 12 -10.481 4.144 -16.184 1.00 71.12 C ATOM 161 C GLY A 12 -11.111 5.461 -15.775 1.00 62.33 C ATOM 162 O GLY A 12 -10.904 6.484 -16.426 1.00 1.22 O ATOM 0 H GLY A 12 -9.672 3.868 -18.097 1.00 51.32 H new ATOM 0 HA2 GLY A 12 -11.256 3.474 -16.557 1.00 71.12 H new ATOM 0 HA3 GLY A 12 -10.042 3.667 -15.308 1.00 71.12 H new ATOM 166 N GLY A 13 -11.884 5.435 -14.694 1.00 20.11 N ATOM 167 CA GLY A 13 -12.536 6.641 -14.219 1.00 4.51 C ATOM 168 C GLY A 13 -11.556 7.771 -13.973 1.00 44.42 C ATOM 169 O GLY A 13 -10.361 7.538 -13.789 1.00 2.43 O ATOM 0 H GLY A 13 -12.070 4.600 -14.139 1.00 20.11 H new ATOM 0 HA2 GLY A 13 -13.279 6.961 -14.950 1.00 4.51 H new ATOM 0 HA3 GLY A 13 -13.072 6.421 -13.296 1.00 4.51 H new ATOM 173 N LYS A 14 -12.060 9.001 -13.972 1.00 74.52 N ATOM 174 CA LYS A 14 -11.222 10.172 -13.748 1.00 51.30 C ATOM 175 C LYS A 14 -11.949 11.206 -12.895 1.00 14.44 C ATOM 176 O LYS A 14 -13.122 11.502 -13.125 1.00 10.11 O ATOM 177 CB LYS A 14 -10.813 10.795 -15.085 1.00 2.34 C ATOM 178 CG LYS A 14 -9.341 10.618 -15.413 1.00 25.40 C ATOM 179 CD LYS A 14 -8.705 11.926 -15.852 1.00 11.45 C ATOM 180 CE LYS A 14 -7.976 12.605 -14.702 1.00 33.12 C ATOM 181 NZ LYS A 14 -6.743 13.301 -15.161 1.00 42.51 N ATOM 0 H LYS A 14 -13.046 9.212 -14.124 1.00 74.52 H new ATOM 0 HA LYS A 14 -10.327 9.851 -13.215 1.00 51.30 H new ATOM 0 HB2 LYS A 14 -11.410 10.350 -15.881 1.00 2.34 H new ATOM 0 HB3 LYS A 14 -11.047 11.859 -15.067 1.00 2.34 H new ATOM 0 HG2 LYS A 14 -8.816 10.233 -14.538 1.00 25.40 H new ATOM 0 HG3 LYS A 14 -9.230 9.876 -16.203 1.00 25.40 H new ATOM 0 HD2 LYS A 14 -8.006 11.736 -16.666 1.00 11.45 H new ATOM 0 HD3 LYS A 14 -9.474 12.593 -16.241 1.00 11.45 H new ATOM 0 HE2 LYS A 14 -8.642 13.323 -14.224 1.00 33.12 H new ATOM 0 HE3 LYS A 14 -7.715 11.862 -13.949 1.00 33.12 H new ATOM 0 HZ1 LYS A 14 -6.330 13.835 -14.369 1.00 42.51 H new ATOM 0 HZ2 LYS A 14 -6.055 12.600 -15.502 1.00 42.51 H new ATOM 0 HZ3 LYS A 14 -6.981 13.956 -15.933 1.00 42.51 H new ATOM 195 N VAL A 15 -11.246 11.754 -11.909 1.00 45.40 N ATOM 196 CA VAL A 15 -11.824 12.758 -11.023 1.00 24.41 C ATOM 197 C VAL A 15 -10.757 13.722 -10.515 1.00 34.54 C ATOM 198 O VAL A 15 -9.634 13.319 -10.209 1.00 73.23 O ATOM 199 CB VAL A 15 -12.526 12.104 -9.818 1.00 1.31 C ATOM 200 CG1 VAL A 15 -13.085 13.167 -8.885 1.00 13.42 C ATOM 201 CG2 VAL A 15 -13.625 11.164 -10.288 1.00 73.11 C ATOM 0 H VAL A 15 -10.275 11.520 -11.703 1.00 45.40 H new ATOM 0 HA VAL A 15 -12.560 13.311 -11.607 1.00 24.41 H new ATOM 0 HB VAL A 15 -11.791 11.519 -9.265 1.00 1.31 H new ATOM 0 HG11 VAL A 15 -13.577 12.687 -8.040 1.00 13.42 H new ATOM 0 HG12 VAL A 15 -12.272 13.796 -8.522 1.00 13.42 H new ATOM 0 HG13 VAL A 15 -13.806 13.781 -9.424 1.00 13.42 H new ATOM 0 HG21 VAL A 15 -14.110 10.711 -9.424 1.00 73.11 H new ATOM 0 HG22 VAL A 15 -14.361 11.724 -10.865 1.00 73.11 H new ATOM 0 HG23 VAL A 15 -13.193 10.382 -10.913 1.00 73.11 H new ATOM 211 N THR A 16 -11.116 14.999 -10.425 1.00 71.41 N ATOM 212 CA THR A 16 -10.191 16.021 -9.954 1.00 44.23 C ATOM 213 C THR A 16 -10.669 16.633 -8.642 1.00 45.35 C ATOM 214 O THR A 16 -11.846 16.960 -8.491 1.00 21.54 O ATOM 215 CB THR A 16 -10.014 17.142 -10.996 1.00 71.12 C ATOM 216 OG1 THR A 16 -11.082 17.097 -11.949 1.00 50.42 O ATOM 217 CG2 THR A 16 -8.680 17.007 -11.715 1.00 52.21 C ATOM 0 H THR A 16 -12.041 15.350 -10.672 1.00 71.41 H new ATOM 0 HA THR A 16 -9.232 15.529 -9.794 1.00 44.23 H new ATOM 0 HB THR A 16 -10.032 18.099 -10.475 1.00 71.12 H new ATOM 0 HG1 THR A 16 -10.964 17.813 -12.607 1.00 50.42 H new ATOM 0 HG21 THR A 16 -8.578 17.809 -12.446 1.00 52.21 H new ATOM 0 HG22 THR A 16 -7.868 17.070 -10.990 1.00 52.21 H new ATOM 0 HG23 THR A 16 -8.637 16.044 -12.225 1.00 52.21 H new ATOM 225 N PHE A 17 -9.748 16.787 -7.697 1.00 3.33 N ATOM 226 CA PHE A 17 -10.076 17.361 -6.397 1.00 23.44 C ATOM 227 C PHE A 17 -9.221 18.593 -6.114 1.00 70.23 C ATOM 228 O PHE A 17 -8.001 18.565 -6.275 1.00 42.13 O ATOM 229 CB PHE A 17 -9.873 16.322 -5.292 1.00 34.33 C ATOM 230 CG PHE A 17 -10.751 15.112 -5.439 1.00 21.42 C ATOM 231 CD1 PHE A 17 -10.212 13.889 -5.804 1.00 62.24 C ATOM 232 CD2 PHE A 17 -12.115 15.197 -5.212 1.00 12.10 C ATOM 233 CE1 PHE A 17 -11.016 12.773 -5.940 1.00 54.13 C ATOM 234 CE2 PHE A 17 -12.925 14.085 -5.346 1.00 24.11 C ATOM 235 CZ PHE A 17 -12.375 12.872 -5.712 1.00 22.23 C ATOM 0 H PHE A 17 -8.769 16.523 -7.807 1.00 3.33 H new ATOM 0 HA PHE A 17 -11.123 17.664 -6.415 1.00 23.44 H new ATOM 0 HB2 PHE A 17 -8.830 16.006 -5.289 1.00 34.33 H new ATOM 0 HB3 PHE A 17 -10.068 16.788 -4.326 1.00 34.33 H new ATOM 0 HD1 PHE A 17 -9.150 13.807 -5.985 1.00 62.24 H new ATOM 0 HD2 PHE A 17 -12.551 16.143 -4.927 1.00 12.10 H new ATOM 0 HE1 PHE A 17 -10.583 11.825 -6.224 1.00 54.13 H new ATOM 0 HE2 PHE A 17 -13.987 14.165 -5.165 1.00 24.11 H new ATOM 0 HZ PHE A 17 -13.006 12.002 -5.820 1.00 22.23 H new ATOM 245 N ARG A 18 -9.871 19.673 -5.693 1.00 32.40 N ATOM 246 CA ARG A 18 -9.172 20.916 -5.390 1.00 31.41 C ATOM 247 C ARG A 18 -8.926 21.049 -3.890 1.00 11.11 C ATOM 248 O ARG A 18 -9.847 21.333 -3.123 1.00 24.01 O ATOM 249 CB ARG A 18 -9.977 22.115 -5.894 1.00 74.51 C ATOM 250 CG ARG A 18 -9.281 23.449 -5.682 1.00 61.30 C ATOM 251 CD ARG A 18 -10.249 24.612 -5.829 1.00 10.11 C ATOM 252 NE ARG A 18 -10.166 25.539 -4.703 1.00 61.21 N ATOM 253 CZ ARG A 18 -10.632 26.782 -4.739 1.00 2.22 C ATOM 254 NH1 ARG A 18 -11.211 27.245 -5.838 1.00 13.22 N ATOM 255 NH2 ARG A 18 -10.519 27.565 -3.673 1.00 50.15 N ATOM 0 H ARG A 18 -10.881 19.712 -5.554 1.00 32.40 H new ATOM 0 HA ARG A 18 -8.208 20.895 -5.899 1.00 31.41 H new ATOM 0 HB2 ARG A 18 -10.179 21.985 -6.957 1.00 74.51 H new ATOM 0 HB3 ARG A 18 -10.941 22.133 -5.386 1.00 74.51 H new ATOM 0 HG2 ARG A 18 -8.831 23.472 -4.690 1.00 61.30 H new ATOM 0 HG3 ARG A 18 -8.470 23.556 -6.402 1.00 61.30 H new ATOM 0 HD2 ARG A 18 -10.036 25.146 -6.755 1.00 10.11 H new ATOM 0 HD3 ARG A 18 -11.266 24.229 -5.909 1.00 10.11 H new ATOM 0 HE ARG A 18 -9.726 25.214 -3.842 1.00 61.21 H new ATOM 0 HH11 ARG A 18 -11.300 26.646 -6.659 1.00 13.22 H new ATOM 0 HH12 ARG A 18 -11.568 28.200 -5.863 1.00 13.22 H new ATOM 0 HH21 ARG A 18 -10.074 27.212 -2.826 1.00 50.15 H new ATOM 0 HH22 ARG A 18 -10.877 28.520 -3.701 1.00 50.15 H new ATOM 269 N ILE A 19 -7.679 20.842 -3.479 1.00 54.04 N ATOM 270 CA ILE A 19 -7.313 20.940 -2.072 1.00 61.11 C ATOM 271 C ILE A 19 -6.393 22.130 -1.825 1.00 43.51 C ATOM 272 O ILE A 19 -5.408 22.325 -2.539 1.00 13.41 O ATOM 273 CB ILE A 19 -6.617 19.657 -1.581 1.00 62.21 C ATOM 274 CG1 ILE A 19 -5.448 19.300 -2.502 1.00 1.42 C ATOM 275 CG2 ILE A 19 -7.612 18.508 -1.510 1.00 41.25 C ATOM 276 CD1 ILE A 19 -4.699 18.057 -2.075 1.00 14.35 C ATOM 0 H ILE A 19 -6.906 20.605 -4.101 1.00 54.04 H new ATOM 0 HA ILE A 19 -8.239 21.078 -1.514 1.00 61.11 H new ATOM 0 HB ILE A 19 -6.225 19.835 -0.580 1.00 62.21 H new ATOM 0 HG12 ILE A 19 -5.825 19.157 -3.515 1.00 1.42 H new ATOM 0 HG13 ILE A 19 -4.753 20.139 -2.536 1.00 1.42 H new ATOM 0 HG21 ILE A 19 -7.105 17.608 -1.161 1.00 41.25 H new ATOM 0 HG22 ILE A 19 -8.414 18.764 -0.818 1.00 41.25 H new ATOM 0 HG23 ILE A 19 -8.031 18.328 -2.500 1.00 41.25 H new ATOM 0 HD11 ILE A 19 -3.885 17.865 -2.774 1.00 14.35 H new ATOM 0 HD12 ILE A 19 -4.292 18.203 -1.074 1.00 14.35 H new ATOM 0 HD13 ILE A 19 -5.380 17.206 -2.069 1.00 14.35 H new ATOM 288 N ILE A 20 -6.719 22.922 -0.809 1.00 44.53 N ATOM 289 CA ILE A 20 -5.920 24.092 -0.466 1.00 45.24 C ATOM 290 C ILE A 20 -4.861 23.748 0.576 1.00 45.34 C ATOM 291 O ILE A 20 -5.178 23.265 1.663 1.00 23.12 O ATOM 292 CB ILE A 20 -6.799 25.237 0.070 1.00 2.13 C ATOM 293 CG1 ILE A 20 -7.838 25.644 -0.976 1.00 13.41 C ATOM 294 CG2 ILE A 20 -5.937 26.429 0.461 1.00 70.45 C ATOM 295 CD1 ILE A 20 -7.233 26.084 -2.290 1.00 45.33 C ATOM 0 H ILE A 20 -7.531 22.775 -0.209 1.00 44.53 H new ATOM 0 HA ILE A 20 -5.431 24.420 -1.383 1.00 45.24 H new ATOM 0 HB ILE A 20 -7.324 24.887 0.959 1.00 2.13 H new ATOM 0 HG12 ILE A 20 -8.508 24.803 -1.157 1.00 13.41 H new ATOM 0 HG13 ILE A 20 -8.446 26.455 -0.576 1.00 13.41 H new ATOM 0 HG21 ILE A 20 -6.573 27.230 0.838 1.00 70.45 H new ATOM 0 HG22 ILE A 20 -5.232 26.130 1.237 1.00 70.45 H new ATOM 0 HG23 ILE A 20 -5.387 26.782 -0.411 1.00 70.45 H new ATOM 0 HD11 ILE A 20 -8.028 26.358 -2.983 1.00 45.33 H new ATOM 0 HD12 ILE A 20 -6.586 26.945 -2.122 1.00 45.33 H new ATOM 0 HD13 ILE A 20 -6.648 25.267 -2.713 1.00 45.33 H new ATOM 307 N LEU A 21 -3.601 24.002 0.237 1.00 13.21 N ATOM 308 CA LEU A 21 -2.494 23.721 1.144 1.00 3.41 C ATOM 309 C LEU A 21 -2.255 24.893 2.091 1.00 12.12 C ATOM 310 O LEU A 21 -2.431 26.054 1.718 1.00 24.51 O ATOM 311 CB LEU A 21 -1.220 23.426 0.350 1.00 75.43 C ATOM 312 CG LEU A 21 -0.601 24.611 -0.392 1.00 13.03 C ATOM 313 CD1 LEU A 21 0.914 24.483 -0.432 1.00 14.23 C ATOM 314 CD2 LEU A 21 -1.167 24.713 -1.801 1.00 12.44 C ATOM 0 H LEU A 21 -3.321 24.402 -0.659 1.00 13.21 H new ATOM 0 HA LEU A 21 -2.757 22.845 1.737 1.00 3.41 H new ATOM 0 HB2 LEU A 21 -0.474 23.023 1.035 1.00 75.43 H new ATOM 0 HB3 LEU A 21 -1.442 22.644 -0.376 1.00 75.43 H new ATOM 0 HG LEU A 21 -0.854 25.524 0.146 1.00 13.03 H new ATOM 0 HD11 LEU A 21 1.337 25.335 -0.964 1.00 14.23 H new ATOM 0 HD12 LEU A 21 1.304 24.460 0.586 1.00 14.23 H new ATOM 0 HD13 LEU A 21 1.188 23.562 -0.946 1.00 14.23 H new ATOM 0 HD21 LEU A 21 -0.715 25.562 -2.314 1.00 12.44 H new ATOM 0 HD22 LEU A 21 -0.945 23.798 -2.349 1.00 12.44 H new ATOM 0 HD23 LEU A 21 -2.247 24.853 -1.750 1.00 12.44 H new ATOM 326 N THR A 22 -1.852 24.582 3.319 1.00 3.13 N ATOM 327 CA THR A 22 -1.588 25.608 4.320 1.00 43.42 C ATOM 328 C THR A 22 -0.148 26.101 4.236 1.00 65.24 C ATOM 329 O THR A 22 0.220 27.086 4.875 1.00 0.31 O ATOM 330 CB THR A 22 -1.858 25.087 5.744 1.00 44.10 C ATOM 331 OG1 THR A 22 -1.540 26.100 6.705 1.00 41.22 O ATOM 332 CG2 THR A 22 -1.038 23.837 6.027 1.00 3.42 C ATOM 0 H THR A 22 -1.701 23.627 3.644 1.00 3.13 H new ATOM 0 HA THR A 22 -2.265 26.436 4.110 1.00 43.42 H new ATOM 0 HB THR A 22 -2.915 24.834 5.820 1.00 44.10 H new ATOM 0 HG1 THR A 22 -0.813 26.660 6.361 1.00 41.22 H new ATOM 0 HG21 THR A 22 -1.245 23.487 7.038 1.00 3.42 H new ATOM 0 HG22 THR A 22 -1.303 23.058 5.312 1.00 3.42 H new ATOM 0 HG23 THR A 22 0.023 24.069 5.934 1.00 3.42 H new ATOM 340 N SER A 23 0.664 25.409 3.442 1.00 1.11 N ATOM 341 CA SER A 23 2.066 25.775 3.277 1.00 70.23 C ATOM 342 C SER A 23 2.213 26.930 2.291 1.00 4.23 C ATOM 343 O SER A 23 3.256 27.580 2.233 1.00 4.42 O ATOM 344 CB SER A 23 2.876 24.570 2.793 1.00 55.34 C ATOM 345 OG SER A 23 4.112 24.978 2.232 1.00 15.34 O ATOM 0 H SER A 23 0.375 24.592 2.903 1.00 1.11 H new ATOM 0 HA SER A 23 2.449 26.096 4.246 1.00 70.23 H new ATOM 0 HB2 SER A 23 3.058 23.892 3.627 1.00 55.34 H new ATOM 0 HB3 SER A 23 2.301 24.016 2.051 1.00 55.34 H new ATOM 0 HG SER A 23 4.611 24.190 1.932 1.00 15.34 H new ATOM 351 N GLU A 24 1.161 27.179 1.518 1.00 34.54 N ATOM 352 CA GLU A 24 1.173 28.255 0.535 1.00 60.34 C ATOM 353 C GLU A 24 -0.151 29.014 0.542 1.00 61.44 C ATOM 354 O GLU A 24 -0.785 29.187 -0.499 1.00 63.15 O ATOM 355 CB GLU A 24 1.445 27.695 -0.863 1.00 60.32 C ATOM 356 CG GLU A 24 2.794 27.008 -0.992 1.00 4.32 C ATOM 357 CD GLU A 24 3.932 27.991 -1.193 1.00 71.43 C ATOM 358 OE1 GLU A 24 4.831 27.697 -2.010 1.00 14.44 O ATOM 359 OE2 GLU A 24 3.924 29.052 -0.535 1.00 72.32 O ATOM 0 H GLU A 24 0.290 26.650 1.554 1.00 34.54 H new ATOM 0 HA GLU A 24 1.970 28.948 0.803 1.00 60.34 H new ATOM 0 HB2 GLU A 24 0.659 26.985 -1.120 1.00 60.32 H new ATOM 0 HB3 GLU A 24 1.390 28.507 -1.588 1.00 60.32 H new ATOM 0 HG2 GLU A 24 2.984 26.417 -0.096 1.00 4.32 H new ATOM 0 HG3 GLU A 24 2.765 26.314 -1.832 1.00 4.32 H new ATOM 366 N ARG A 25 -0.562 29.463 1.723 1.00 51.23 N ATOM 367 CA ARG A 25 -1.811 30.202 1.866 1.00 21.35 C ATOM 368 C ARG A 25 -1.777 31.490 1.050 1.00 15.40 C ATOM 369 O ARG A 25 -2.818 32.084 0.766 1.00 4.31 O ATOM 370 CB ARG A 25 -2.070 30.525 3.339 1.00 34.10 C ATOM 371 CG ARG A 25 -3.533 30.413 3.738 1.00 3.55 C ATOM 372 CD ARG A 25 -3.849 31.287 4.942 1.00 15.02 C ATOM 373 NE ARG A 25 -3.671 30.569 6.202 1.00 43.35 N ATOM 374 CZ ARG A 25 -3.726 31.152 7.394 1.00 42.31 C ATOM 375 NH1 ARG A 25 -3.954 32.455 7.489 1.00 61.13 N ATOM 376 NH2 ARG A 25 -3.553 30.432 8.495 1.00 71.34 N ATOM 0 H ARG A 25 -0.049 29.328 2.594 1.00 51.23 H new ATOM 0 HA ARG A 25 -2.620 29.576 1.490 1.00 21.35 H new ATOM 0 HB2 ARG A 25 -1.480 29.850 3.960 1.00 34.10 H new ATOM 0 HB3 ARG A 25 -1.722 31.537 3.547 1.00 34.10 H new ATOM 0 HG2 ARG A 25 -4.164 30.706 2.899 1.00 3.55 H new ATOM 0 HG3 ARG A 25 -3.770 29.374 3.968 1.00 3.55 H new ATOM 0 HD2 ARG A 25 -3.204 32.166 4.931 1.00 15.02 H new ATOM 0 HD3 ARG A 25 -4.876 31.645 4.871 1.00 15.02 H new ATOM 0 HE ARG A 25 -3.495 29.565 6.164 1.00 43.35 H new ATOM 0 HH11 ARG A 25 -4.088 33.012 6.645 1.00 61.13 H new ATOM 0 HH12 ARG A 25 -3.996 32.900 8.406 1.00 61.13 H new ATOM 0 HH21 ARG A 25 -3.378 29.430 8.426 1.00 71.34 H new ATOM 0 HH22 ARG A 25 -3.595 30.881 9.410 1.00 71.34 H new ATOM 390 N SER A 26 -0.575 31.917 0.676 1.00 34.01 N ATOM 391 CA SER A 26 -0.406 33.137 -0.104 1.00 1.42 C ATOM 392 C SER A 26 -1.180 33.055 -1.416 1.00 42.31 C ATOM 393 O SER A 26 -1.684 34.061 -1.915 1.00 4.21 O ATOM 394 CB SER A 26 1.077 33.384 -0.388 1.00 0.53 C ATOM 395 OG SER A 26 1.569 34.471 0.378 1.00 73.03 O ATOM 0 H SER A 26 0.296 31.436 0.901 1.00 34.01 H new ATOM 0 HA SER A 26 -0.801 33.969 0.479 1.00 1.42 H new ATOM 0 HB2 SER A 26 1.649 32.485 -0.159 1.00 0.53 H new ATOM 0 HB3 SER A 26 1.218 33.589 -1.449 1.00 0.53 H new ATOM 0 HG SER A 26 2.519 34.607 0.180 1.00 73.03 H new ATOM 401 N GLN A 27 -1.269 31.850 -1.969 1.00 21.12 N ATOM 402 CA GLN A 27 -1.981 31.636 -3.223 1.00 45.14 C ATOM 403 C GLN A 27 -2.038 30.152 -3.570 1.00 54.13 C ATOM 404 O GLN A 27 -1.426 29.690 -4.534 1.00 14.53 O ATOM 405 CB GLN A 27 -1.304 32.411 -4.356 1.00 75.30 C ATOM 406 CG GLN A 27 -2.019 32.282 -5.692 1.00 5.12 C ATOM 407 CD GLN A 27 -1.685 33.414 -6.643 1.00 64.05 C ATOM 408 OE1 GLN A 27 -0.580 33.958 -6.616 1.00 53.01 O ATOM 409 NE2 GLN A 27 -2.640 33.775 -7.493 1.00 4.04 N ATOM 0 H GLN A 27 -0.857 31.007 -1.569 1.00 21.12 H new ATOM 0 HA GLN A 27 -3.001 32.001 -3.100 1.00 45.14 H new ATOM 0 HB2 GLN A 27 -1.249 33.465 -4.083 1.00 75.30 H new ATOM 0 HB3 GLN A 27 -0.279 32.057 -4.466 1.00 75.30 H new ATOM 0 HG2 GLN A 27 -1.749 31.332 -6.154 1.00 5.12 H new ATOM 0 HG3 GLN A 27 -3.096 32.260 -5.523 1.00 5.12 H new ATOM 0 HE21 GLN A 27 -3.541 33.297 -7.481 1.00 4.04 H new ATOM 0 HE22 GLN A 27 -2.472 34.530 -8.158 1.00 4.04 H new ATOM 418 N PRO A 28 -2.791 29.385 -2.768 1.00 11.25 N ATOM 419 CA PRO A 28 -2.947 27.942 -2.970 1.00 20.30 C ATOM 420 C PRO A 28 -3.767 27.616 -4.213 1.00 74.04 C ATOM 421 O PRO A 28 -4.776 28.265 -4.491 1.00 72.32 O ATOM 422 CB PRO A 28 -3.683 27.484 -1.708 1.00 53.15 C ATOM 423 CG PRO A 28 -4.414 28.694 -1.236 1.00 64.33 C ATOM 424 CD PRO A 28 -3.548 29.868 -1.601 1.00 14.33 C ATOM 0 HA PRO A 28 -1.989 27.446 -3.124 1.00 20.30 H new ATOM 0 HB2 PRO A 28 -4.370 26.666 -1.925 1.00 53.15 H new ATOM 0 HB3 PRO A 28 -2.986 27.123 -0.952 1.00 53.15 H new ATOM 0 HG2 PRO A 28 -5.393 28.768 -1.710 1.00 64.33 H new ATOM 0 HG3 PRO A 28 -4.583 28.653 -0.160 1.00 64.33 H new ATOM 0 HD2 PRO A 28 -4.145 30.747 -1.845 1.00 14.33 H new ATOM 0 HD3 PRO A 28 -2.887 30.149 -0.782 1.00 14.33 H new ATOM 432 N PHE A 29 -3.329 26.607 -4.959 1.00 24.15 N ATOM 433 CA PHE A 29 -4.023 26.195 -6.173 1.00 45.43 C ATOM 434 C PHE A 29 -3.525 24.834 -6.649 1.00 60.41 C ATOM 435 O PHE A 29 -3.387 24.596 -7.849 1.00 74.21 O ATOM 436 CB PHE A 29 -3.825 27.237 -7.276 1.00 52.15 C ATOM 437 CG PHE A 29 -2.426 27.276 -7.821 1.00 22.11 C ATOM 438 CD1 PHE A 29 -1.366 27.660 -7.016 1.00 25.32 C ATOM 439 CD2 PHE A 29 -2.171 26.929 -9.138 1.00 1.11 C ATOM 440 CE1 PHE A 29 -0.077 27.696 -7.513 1.00 45.25 C ATOM 441 CE2 PHE A 29 -0.884 26.963 -9.641 1.00 11.21 C ATOM 442 CZ PHE A 29 0.164 27.348 -8.828 1.00 42.42 C ATOM 0 H PHE A 29 -2.496 26.059 -4.744 1.00 24.15 H new ATOM 0 HA PHE A 29 -5.086 26.114 -5.945 1.00 45.43 H new ATOM 0 HB2 PHE A 29 -4.518 27.028 -8.091 1.00 52.15 H new ATOM 0 HB3 PHE A 29 -4.081 28.222 -6.885 1.00 52.15 H new ATOM 0 HD1 PHE A 29 -1.549 27.935 -5.988 1.00 25.32 H new ATOM 0 HD2 PHE A 29 -2.987 26.629 -9.779 1.00 1.11 H new ATOM 0 HE1 PHE A 29 0.741 27.996 -6.874 1.00 45.25 H new ATOM 0 HE2 PHE A 29 -0.698 26.689 -10.669 1.00 11.21 H new ATOM 0 HZ PHE A 29 1.170 27.377 -9.220 1.00 42.42 H new ATOM 452 N ARG A 30 -3.256 23.944 -5.699 1.00 73.33 N ATOM 453 CA ARG A 30 -2.772 22.606 -6.020 1.00 52.43 C ATOM 454 C ARG A 30 -3.931 21.620 -6.128 1.00 74.01 C ATOM 455 O ARG A 30 -4.626 21.352 -5.147 1.00 64.14 O ATOM 456 CB ARG A 30 -1.781 22.131 -4.957 1.00 31.34 C ATOM 457 CG ARG A 30 -0.342 22.528 -5.244 1.00 13.04 C ATOM 458 CD ARG A 30 0.171 21.878 -6.519 1.00 2.30 C ATOM 459 NE ARG A 30 1.624 21.969 -6.633 1.00 43.50 N ATOM 460 CZ ARG A 30 2.268 23.088 -6.949 1.00 71.32 C ATOM 461 NH1 ARG A 30 1.590 24.204 -7.181 1.00 64.51 N ATOM 462 NH2 ARG A 30 3.592 23.091 -7.033 1.00 41.24 N ATOM 0 H ARG A 30 -3.365 24.125 -4.701 1.00 73.33 H new ATOM 0 HA ARG A 30 -2.266 22.651 -6.984 1.00 52.43 H new ATOM 0 HB2 ARG A 30 -2.075 22.539 -3.990 1.00 31.34 H new ATOM 0 HB3 ARG A 30 -1.840 21.046 -4.876 1.00 31.34 H new ATOM 0 HG2 ARG A 30 -0.273 23.612 -5.334 1.00 13.04 H new ATOM 0 HG3 ARG A 30 0.291 22.237 -4.406 1.00 13.04 H new ATOM 0 HD2 ARG A 30 -0.129 20.830 -6.538 1.00 2.30 H new ATOM 0 HD3 ARG A 30 -0.291 22.358 -7.382 1.00 2.30 H new ATOM 0 HE ARG A 30 2.175 21.128 -6.461 1.00 43.50 H new ATOM 0 HH11 ARG A 30 0.572 24.205 -7.117 1.00 64.51 H new ATOM 0 HH12 ARG A 30 2.087 25.061 -7.423 1.00 64.51 H new ATOM 0 HH21 ARG A 30 4.116 22.234 -6.855 1.00 41.24 H new ATOM 0 HH22 ARG A 30 4.086 23.950 -7.276 1.00 41.24 H new ATOM 476 N VAL A 31 -4.135 21.083 -7.327 1.00 13.10 N ATOM 477 CA VAL A 31 -5.210 20.126 -7.563 1.00 44.14 C ATOM 478 C VAL A 31 -4.656 18.724 -7.789 1.00 73.51 C ATOM 479 O VAL A 31 -3.664 18.543 -8.495 1.00 42.23 O ATOM 480 CB VAL A 31 -6.064 20.531 -8.779 1.00 73.21 C ATOM 481 CG1 VAL A 31 -6.698 21.895 -8.556 1.00 15.22 C ATOM 482 CG2 VAL A 31 -5.223 20.526 -10.047 1.00 32.34 C ATOM 0 H VAL A 31 -3.570 21.294 -8.150 1.00 13.10 H new ATOM 0 HA VAL A 31 -5.837 20.127 -6.672 1.00 44.14 H new ATOM 0 HB VAL A 31 -6.864 19.800 -8.898 1.00 73.21 H new ATOM 0 HG11 VAL A 31 -7.297 22.164 -9.426 1.00 15.22 H new ATOM 0 HG12 VAL A 31 -7.336 21.860 -7.673 1.00 15.22 H new ATOM 0 HG13 VAL A 31 -5.916 22.640 -8.410 1.00 15.22 H new ATOM 0 HG21 VAL A 31 -5.843 20.815 -10.896 1.00 32.34 H new ATOM 0 HG22 VAL A 31 -4.401 21.234 -9.941 1.00 32.34 H new ATOM 0 HG23 VAL A 31 -4.822 19.526 -10.214 1.00 32.34 H new ATOM 492 N ILE A 32 -5.305 17.733 -7.185 1.00 40.44 N ATOM 493 CA ILE A 32 -4.879 16.346 -7.322 1.00 44.31 C ATOM 494 C ILE A 32 -5.781 15.586 -8.288 1.00 14.40 C ATOM 495 O ILE A 32 -7.007 15.653 -8.191 1.00 63.41 O ATOM 496 CB ILE A 32 -4.875 15.622 -5.963 1.00 22.00 C ATOM 497 CG1 ILE A 32 -6.218 15.813 -5.255 1.00 23.20 C ATOM 498 CG2 ILE A 32 -3.735 16.132 -5.094 1.00 64.13 C ATOM 499 CD1 ILE A 32 -6.330 15.048 -3.955 1.00 65.50 C ATOM 0 H ILE A 32 -6.127 17.866 -6.596 1.00 40.44 H new ATOM 0 HA ILE A 32 -3.863 16.366 -7.717 1.00 44.31 H new ATOM 0 HB ILE A 32 -4.725 14.556 -6.136 1.00 22.00 H new ATOM 0 HG12 ILE A 32 -6.367 16.874 -5.057 1.00 23.20 H new ATOM 0 HG13 ILE A 32 -7.020 15.498 -5.923 1.00 23.20 H new ATOM 0 HG21 ILE A 32 -3.746 15.611 -4.137 1.00 64.13 H new ATOM 0 HG22 ILE A 32 -2.785 15.949 -5.596 1.00 64.13 H new ATOM 0 HG23 ILE A 32 -3.857 17.202 -4.926 1.00 64.13 H new ATOM 0 HD11 ILE A 32 -7.308 15.230 -3.509 1.00 65.50 H new ATOM 0 HD12 ILE A 32 -6.213 13.982 -4.149 1.00 65.50 H new ATOM 0 HD13 ILE A 32 -5.550 15.380 -3.269 1.00 65.50 H new ATOM 511 N SER A 33 -5.167 14.863 -9.219 1.00 11.12 N ATOM 512 CA SER A 33 -5.915 14.091 -10.204 1.00 51.22 C ATOM 513 C SER A 33 -5.873 12.602 -9.874 1.00 12.43 C ATOM 514 O SER A 33 -4.801 12.001 -9.804 1.00 21.01 O ATOM 515 CB SER A 33 -5.350 14.330 -11.606 1.00 13.12 C ATOM 516 OG SER A 33 -3.935 14.265 -11.603 1.00 63.42 O ATOM 0 H SER A 33 -4.153 14.796 -9.312 1.00 11.12 H new ATOM 0 HA SER A 33 -6.953 14.422 -10.176 1.00 51.22 H new ATOM 0 HB2 SER A 33 -5.750 13.586 -12.294 1.00 13.12 H new ATOM 0 HB3 SER A 33 -5.672 15.306 -11.970 1.00 13.12 H new ATOM 0 HG SER A 33 -3.645 13.469 -11.111 1.00 63.42 H new ATOM 522 N ILE A 34 -7.048 12.015 -9.671 1.00 65.43 N ATOM 523 CA ILE A 34 -7.146 10.596 -9.349 1.00 41.42 C ATOM 524 C ILE A 34 -8.452 10.004 -9.867 1.00 14.50 C ATOM 525 O ILE A 34 -9.406 10.730 -10.146 1.00 75.35 O ATOM 526 CB ILE A 34 -7.053 10.356 -7.831 1.00 2.22 C ATOM 527 CG1 ILE A 34 -8.273 10.948 -7.123 1.00 13.11 C ATOM 528 CG2 ILE A 34 -5.769 10.957 -7.277 1.00 54.22 C ATOM 529 CD1 ILE A 34 -8.267 10.732 -5.626 1.00 34.32 C ATOM 0 H ILE A 34 -7.944 12.499 -9.724 1.00 65.43 H new ATOM 0 HA ILE A 34 -6.307 10.102 -9.839 1.00 41.42 H new ATOM 0 HB ILE A 34 -7.037 9.281 -7.649 1.00 2.22 H new ATOM 0 HG12 ILE A 34 -8.318 12.018 -7.327 1.00 13.11 H new ATOM 0 HG13 ILE A 34 -9.177 10.505 -7.542 1.00 13.11 H new ATOM 0 HG21 ILE A 34 -5.718 10.779 -6.203 1.00 54.22 H new ATOM 0 HG22 ILE A 34 -4.911 10.493 -7.763 1.00 54.22 H new ATOM 0 HG23 ILE A 34 -5.758 12.030 -7.468 1.00 54.22 H new ATOM 0 HD11 ILE A 34 -9.161 11.178 -5.190 1.00 34.32 H new ATOM 0 HD12 ILE A 34 -8.254 9.663 -5.413 1.00 34.32 H new ATOM 0 HD13 ILE A 34 -7.382 11.199 -5.195 1.00 34.32 H new ATOM 541 N ALA A 35 -8.488 8.682 -9.991 1.00 33.33 N ATOM 542 CA ALA A 35 -9.679 7.991 -10.471 1.00 1.40 C ATOM 543 C ALA A 35 -10.733 7.887 -9.374 1.00 22.21 C ATOM 544 O ALA A 35 -10.405 7.841 -8.189 1.00 10.02 O ATOM 545 CB ALA A 35 -9.314 6.608 -10.989 1.00 10.02 C ATOM 0 H ALA A 35 -7.706 8.067 -9.766 1.00 33.33 H new ATOM 0 HA ALA A 35 -10.102 8.573 -11.290 1.00 1.40 H new ATOM 0 HB1 ALA A 35 -10.213 6.104 -11.344 1.00 10.02 H new ATOM 0 HB2 ALA A 35 -8.603 6.703 -11.810 1.00 10.02 H new ATOM 0 HB3 ALA A 35 -8.865 6.025 -10.185 1.00 10.02 H new ATOM 551 N GLU A 36 -11.999 7.850 -9.777 1.00 41.15 N ATOM 552 CA GLU A 36 -13.100 7.752 -8.827 1.00 14.50 C ATOM 553 C GLU A 36 -12.992 6.476 -7.998 1.00 31.11 C ATOM 554 O GLU A 36 -13.521 6.397 -6.889 1.00 45.55 O ATOM 555 CB GLU A 36 -14.442 7.784 -9.562 1.00 70.01 C ATOM 556 CG GLU A 36 -14.557 6.745 -10.664 1.00 64.44 C ATOM 557 CD GLU A 36 -15.840 5.941 -10.577 1.00 65.14 C ATOM 558 OE1 GLU A 36 -16.864 6.506 -10.141 1.00 32.13 O ATOM 559 OE2 GLU A 36 -15.819 4.748 -10.945 1.00 71.14 O ATOM 0 H GLU A 36 -12.287 7.886 -10.755 1.00 41.15 H new ATOM 0 HA GLU A 36 -13.042 8.608 -8.154 1.00 14.50 H new ATOM 0 HB2 GLU A 36 -15.245 7.628 -8.842 1.00 70.01 H new ATOM 0 HB3 GLU A 36 -14.588 8.775 -9.992 1.00 70.01 H new ATOM 0 HG2 GLU A 36 -14.509 7.242 -11.633 1.00 64.44 H new ATOM 0 HG3 GLU A 36 -13.704 6.068 -10.610 1.00 64.44 H new ATOM 566 N GLU A 37 -12.304 5.479 -8.545 1.00 21.42 N ATOM 567 CA GLU A 37 -12.128 4.205 -7.856 1.00 43.34 C ATOM 568 C GLU A 37 -10.656 3.957 -7.540 1.00 63.13 C ATOM 569 O GLU A 37 -10.279 2.871 -7.100 1.00 12.44 O ATOM 570 CB GLU A 37 -12.678 3.059 -8.708 1.00 13.41 C ATOM 571 CG GLU A 37 -14.109 2.679 -8.365 1.00 24.35 C ATOM 572 CD GLU A 37 -14.203 1.844 -7.102 1.00 12.31 C ATOM 573 OE1 GLU A 37 -13.856 2.364 -6.021 1.00 13.34 O ATOM 574 OE2 GLU A 37 -14.623 0.672 -7.195 1.00 15.23 O ATOM 0 H GLU A 37 -11.860 5.528 -9.462 1.00 21.42 H new ATOM 0 HA GLU A 37 -12.681 4.249 -6.918 1.00 43.34 H new ATOM 0 HB2 GLU A 37 -12.628 3.343 -9.759 1.00 13.41 H new ATOM 0 HB3 GLU A 37 -12.039 2.185 -8.583 1.00 13.41 H new ATOM 0 HG2 GLU A 37 -14.702 3.585 -8.242 1.00 24.35 H new ATOM 0 HG3 GLU A 37 -14.543 2.124 -9.197 1.00 24.35 H new ATOM 581 N ALA A 38 -9.828 4.971 -7.770 1.00 10.15 N ATOM 582 CA ALA A 38 -8.398 4.864 -7.508 1.00 40.23 C ATOM 583 C ALA A 38 -8.084 5.155 -6.045 1.00 31.45 C ATOM 584 O ALA A 38 -8.808 5.879 -5.361 1.00 50.23 O ATOM 585 CB ALA A 38 -7.624 5.811 -8.414 1.00 22.41 C ATOM 0 H ALA A 38 -10.123 5.876 -8.137 1.00 10.15 H new ATOM 0 HA ALA A 38 -8.090 3.840 -7.721 1.00 40.23 H new ATOM 0 HB1 ALA A 38 -6.557 5.721 -8.208 1.00 22.41 H new ATOM 0 HB2 ALA A 38 -7.815 5.555 -9.456 1.00 22.41 H new ATOM 0 HB3 ALA A 38 -7.944 6.836 -8.228 1.00 22.41 H new ATOM 591 N PRO A 39 -6.980 4.576 -5.549 1.00 42.43 N ATOM 592 CA PRO A 39 -6.545 4.759 -4.161 1.00 73.22 C ATOM 593 C PRO A 39 -6.044 6.173 -3.892 1.00 0.52 C ATOM 594 O PRO A 39 -5.837 6.957 -4.819 1.00 61.05 O ATOM 595 CB PRO A 39 -5.404 3.750 -4.011 1.00 73.52 C ATOM 596 CG PRO A 39 -4.884 3.558 -5.394 1.00 5.23 C ATOM 597 CD PRO A 39 -6.070 3.701 -6.307 1.00 20.55 C ATOM 0 HA PRO A 39 -7.362 4.608 -3.455 1.00 73.22 H new ATOM 0 HB2 PRO A 39 -4.628 4.126 -3.345 1.00 73.52 H new ATOM 0 HB3 PRO A 39 -5.759 2.811 -3.588 1.00 73.52 H new ATOM 0 HG2 PRO A 39 -4.119 4.298 -5.629 1.00 5.23 H new ATOM 0 HG3 PRO A 39 -4.423 2.577 -5.505 1.00 5.23 H new ATOM 0 HD2 PRO A 39 -5.790 4.144 -7.263 1.00 20.55 H new ATOM 0 HD3 PRO A 39 -6.528 2.736 -6.525 1.00 20.55 H new ATOM 605 N LEU A 40 -5.850 6.495 -2.618 1.00 32.35 N ATOM 606 CA LEU A 40 -5.372 7.816 -2.226 1.00 0.12 C ATOM 607 C LEU A 40 -3.944 8.045 -2.711 1.00 72.44 C ATOM 608 O LEU A 40 -3.547 9.175 -2.998 1.00 20.42 O ATOM 609 CB LEU A 40 -5.437 7.974 -0.706 1.00 31.24 C ATOM 610 CG LEU A 40 -4.747 9.210 -0.129 1.00 11.41 C ATOM 611 CD1 LEU A 40 -5.630 10.438 -0.289 1.00 74.00 C ATOM 612 CD2 LEU A 40 -4.396 8.991 1.335 1.00 11.05 C ATOM 0 H LEU A 40 -6.017 5.859 -1.838 1.00 32.35 H new ATOM 0 HA LEU A 40 -6.018 8.561 -2.691 1.00 0.12 H new ATOM 0 HB2 LEU A 40 -6.485 7.995 -0.408 1.00 31.24 H new ATOM 0 HB3 LEU A 40 -4.994 7.089 -0.250 1.00 31.24 H new ATOM 0 HG LEU A 40 -3.823 9.377 -0.682 1.00 11.41 H new ATOM 0 HD11 LEU A 40 -5.122 11.308 0.127 1.00 74.00 H new ATOM 0 HD12 LEU A 40 -5.830 10.607 -1.347 1.00 74.00 H new ATOM 0 HD13 LEU A 40 -6.571 10.281 0.238 1.00 74.00 H new ATOM 0 HD21 LEU A 40 -3.906 9.881 1.729 1.00 11.05 H new ATOM 0 HD22 LEU A 40 -5.306 8.797 1.902 1.00 11.05 H new ATOM 0 HD23 LEU A 40 -3.724 8.137 1.424 1.00 11.05 H new ATOM 624 N THR A 41 -3.176 6.964 -2.804 1.00 61.52 N ATOM 625 CA THR A 41 -1.793 7.045 -3.256 1.00 42.42 C ATOM 626 C THR A 41 -1.684 7.840 -4.552 1.00 51.43 C ATOM 627 O THR A 41 -0.679 8.506 -4.801 1.00 30.50 O ATOM 628 CB THR A 41 -1.189 5.645 -3.474 1.00 52.01 C ATOM 629 OG1 THR A 41 -1.555 4.780 -2.393 1.00 55.13 O ATOM 630 CG2 THR A 41 0.327 5.720 -3.579 1.00 75.55 C ATOM 0 H THR A 41 -3.489 6.021 -2.572 1.00 61.52 H new ATOM 0 HA THR A 41 -1.234 7.555 -2.471 1.00 42.42 H new ATOM 0 HB THR A 41 -1.583 5.245 -4.408 1.00 52.01 H new ATOM 0 HG1 THR A 41 -1.169 3.891 -2.540 1.00 55.13 H new ATOM 0 HG21 THR A 41 0.731 4.719 -3.733 1.00 75.55 H new ATOM 0 HG22 THR A 41 0.602 6.356 -4.420 1.00 75.55 H new ATOM 0 HG23 THR A 41 0.735 6.139 -2.659 1.00 75.55 H new ATOM 638 N ALA A 42 -2.725 7.768 -5.375 1.00 34.42 N ATOM 639 CA ALA A 42 -2.747 8.483 -6.644 1.00 54.25 C ATOM 640 C ALA A 42 -2.619 9.987 -6.429 1.00 40.42 C ATOM 641 O ALA A 42 -1.862 10.661 -7.127 1.00 54.55 O ATOM 642 CB ALA A 42 -4.024 8.165 -7.408 1.00 34.52 C ATOM 0 H ALA A 42 -3.565 7.221 -5.185 1.00 34.42 H new ATOM 0 HA ALA A 42 -1.892 8.152 -7.233 1.00 54.25 H new ATOM 0 HB1 ALA A 42 -4.026 8.706 -8.354 1.00 34.52 H new ATOM 0 HB2 ALA A 42 -4.074 7.094 -7.603 1.00 34.52 H new ATOM 0 HB3 ALA A 42 -4.887 8.467 -6.815 1.00 34.52 H new ATOM 648 N ALA A 43 -3.364 10.507 -5.459 1.00 5.31 N ATOM 649 CA ALA A 43 -3.331 11.932 -5.151 1.00 75.32 C ATOM 650 C ALA A 43 -2.073 12.297 -4.371 1.00 33.42 C ATOM 651 O ALA A 43 -1.588 13.426 -4.448 1.00 12.32 O ATOM 652 CB ALA A 43 -4.574 12.331 -4.369 1.00 72.13 C ATOM 0 H ALA A 43 -3.998 9.963 -4.873 1.00 5.31 H new ATOM 0 HA ALA A 43 -3.315 12.482 -6.092 1.00 75.32 H new ATOM 0 HB1 ALA A 43 -4.537 13.397 -4.146 1.00 72.13 H new ATOM 0 HB2 ALA A 43 -5.462 12.116 -4.963 1.00 72.13 H new ATOM 0 HB3 ALA A 43 -4.615 11.766 -3.438 1.00 72.13 H new ATOM 658 N LEU A 44 -1.549 11.335 -3.619 1.00 72.33 N ATOM 659 CA LEU A 44 -0.347 11.555 -2.823 1.00 44.14 C ATOM 660 C LEU A 44 0.763 12.168 -3.672 1.00 22.42 C ATOM 661 O LEU A 44 1.597 12.922 -3.170 1.00 53.24 O ATOM 662 CB LEU A 44 0.132 10.238 -2.211 1.00 61.42 C ATOM 663 CG LEU A 44 1.352 10.328 -1.294 1.00 20.13 C ATOM 664 CD1 LEU A 44 1.140 9.494 -0.040 1.00 12.13 C ATOM 665 CD2 LEU A 44 2.607 9.879 -2.029 1.00 14.12 C ATOM 0 H LEU A 44 -1.938 10.395 -3.544 1.00 72.33 H new ATOM 0 HA LEU A 44 -0.594 12.252 -2.022 1.00 44.14 H new ATOM 0 HB2 LEU A 44 -0.692 9.803 -1.645 1.00 61.42 H new ATOM 0 HB3 LEU A 44 0.362 9.546 -3.022 1.00 61.42 H new ATOM 0 HG LEU A 44 1.482 11.368 -0.996 1.00 20.13 H new ATOM 0 HD11 LEU A 44 2.019 9.570 0.601 1.00 12.13 H new ATOM 0 HD12 LEU A 44 0.266 9.861 0.498 1.00 12.13 H new ATOM 0 HD13 LEU A 44 0.983 8.452 -0.318 1.00 12.13 H new ATOM 0 HD21 LEU A 44 3.465 9.950 -1.361 1.00 14.12 H new ATOM 0 HD22 LEU A 44 2.487 8.846 -2.357 1.00 14.12 H new ATOM 0 HD23 LEU A 44 2.769 10.519 -2.897 1.00 14.12 H new ATOM 677 N ARG A 45 0.766 11.839 -4.960 1.00 1.43 N ATOM 678 CA ARG A 45 1.773 12.358 -5.878 1.00 54.00 C ATOM 679 C ARG A 45 1.875 13.877 -5.772 1.00 34.24 C ATOM 680 O ARG A 45 2.953 14.422 -5.536 1.00 11.04 O ATOM 681 CB ARG A 45 1.436 11.958 -7.316 1.00 1.32 C ATOM 682 CG ARG A 45 2.536 11.162 -8.000 1.00 15.22 C ATOM 683 CD ARG A 45 2.365 9.668 -7.773 1.00 2.33 C ATOM 684 NE ARG A 45 3.648 8.989 -7.613 1.00 43.21 N ATOM 685 CZ ARG A 45 4.508 8.799 -8.608 1.00 0.23 C ATOM 686 NH1 ARG A 45 4.223 9.235 -9.827 1.00 2.41 N ATOM 687 NH2 ARG A 45 5.656 8.172 -8.384 1.00 12.34 N ATOM 0 H ARG A 45 0.083 11.216 -5.391 1.00 1.43 H new ATOM 0 HA ARG A 45 2.736 11.927 -5.603 1.00 54.00 H new ATOM 0 HB2 ARG A 45 0.519 11.368 -7.315 1.00 1.32 H new ATOM 0 HB3 ARG A 45 1.235 12.858 -7.897 1.00 1.32 H new ATOM 0 HG2 ARG A 45 2.528 11.372 -9.070 1.00 15.22 H new ATOM 0 HG3 ARG A 45 3.507 11.480 -7.620 1.00 15.22 H new ATOM 0 HD2 ARG A 45 1.755 9.504 -6.885 1.00 2.33 H new ATOM 0 HD3 ARG A 45 1.827 9.233 -8.615 1.00 2.33 H new ATOM 0 HE ARG A 45 3.898 8.642 -6.687 1.00 43.21 H new ATOM 0 HH11 ARG A 45 3.342 9.718 -10.003 1.00 2.41 H new ATOM 0 HH12 ARG A 45 4.885 9.088 -10.589 1.00 2.41 H new ATOM 0 HH21 ARG A 45 5.879 7.835 -7.447 1.00 12.34 H new ATOM 0 HH22 ARG A 45 6.315 8.027 -9.149 1.00 12.34 H new ATOM 701 N PHE A 46 0.745 14.554 -5.948 1.00 0.31 N ATOM 702 CA PHE A 46 0.707 16.010 -5.873 1.00 42.13 C ATOM 703 C PHE A 46 0.513 16.476 -4.433 1.00 51.03 C ATOM 704 O PHE A 46 1.010 17.530 -4.038 1.00 64.03 O ATOM 705 CB PHE A 46 -0.417 16.558 -6.755 1.00 12.14 C ATOM 706 CG PHE A 46 0.016 16.859 -8.161 1.00 2.52 C ATOM 707 CD1 PHE A 46 0.071 18.166 -8.618 1.00 2.32 C ATOM 708 CD2 PHE A 46 0.368 15.836 -9.026 1.00 20.23 C ATOM 709 CE1 PHE A 46 0.470 18.447 -9.911 1.00 51.12 C ATOM 710 CE2 PHE A 46 0.768 16.111 -10.320 1.00 31.41 C ATOM 711 CZ PHE A 46 0.818 17.418 -10.764 1.00 33.35 C ATOM 0 H PHE A 46 -0.156 14.118 -6.143 1.00 0.31 H new ATOM 0 HA PHE A 46 1.662 16.393 -6.234 1.00 42.13 H new ATOM 0 HB2 PHE A 46 -1.232 15.835 -6.782 1.00 12.14 H new ATOM 0 HB3 PHE A 46 -0.812 17.468 -6.303 1.00 12.14 H new ATOM 0 HD1 PHE A 46 -0.201 18.975 -7.956 1.00 2.32 H new ATOM 0 HD2 PHE A 46 0.329 14.812 -8.685 1.00 20.23 H new ATOM 0 HE1 PHE A 46 0.510 19.470 -10.254 1.00 51.12 H new ATOM 0 HE2 PHE A 46 1.041 15.304 -10.984 1.00 31.41 H new ATOM 0 HZ PHE A 46 1.128 17.635 -11.775 1.00 33.35 H new ATOM 721 N ALA A 47 -0.215 15.683 -3.654 1.00 62.41 N ATOM 722 CA ALA A 47 -0.474 16.012 -2.258 1.00 72.01 C ATOM 723 C ALA A 47 0.828 16.182 -1.483 1.00 20.10 C ATOM 724 O ALA A 47 0.903 16.972 -0.543 1.00 0.23 O ATOM 725 CB ALA A 47 -1.338 14.938 -1.614 1.00 23.50 C ATOM 0 H ALA A 47 -0.636 14.808 -3.966 1.00 62.41 H new ATOM 0 HA ALA A 47 -1.010 16.960 -2.228 1.00 72.01 H new ATOM 0 HB1 ALA A 47 -1.523 15.197 -0.572 1.00 23.50 H new ATOM 0 HB2 ALA A 47 -2.287 14.868 -2.145 1.00 23.50 H new ATOM 0 HB3 ALA A 47 -0.823 13.979 -1.664 1.00 23.50 H new ATOM 731 N ALA A 48 1.851 15.435 -1.883 1.00 64.45 N ATOM 732 CA ALA A 48 3.151 15.504 -1.227 1.00 30.11 C ATOM 733 C ALA A 48 3.711 16.922 -1.267 1.00 23.41 C ATOM 734 O ALA A 48 4.491 17.315 -0.400 1.00 33.22 O ATOM 735 CB ALA A 48 4.124 14.531 -1.878 1.00 15.34 C ATOM 0 H ALA A 48 1.805 14.774 -2.659 1.00 64.45 H new ATOM 0 HA ALA A 48 3.019 15.223 -0.182 1.00 30.11 H new ATOM 0 HB1 ALA A 48 5.090 14.594 -1.378 1.00 15.34 H new ATOM 0 HB2 ALA A 48 3.736 13.516 -1.792 1.00 15.34 H new ATOM 0 HB3 ALA A 48 4.243 14.786 -2.931 1.00 15.34 H new ATOM 741 N GLU A 49 3.309 17.684 -2.279 1.00 63.44 N ATOM 742 CA GLU A 49 3.774 19.057 -2.432 1.00 13.41 C ATOM 743 C GLU A 49 2.987 20.001 -1.527 1.00 4.24 C ATOM 744 O GLU A 49 3.537 20.960 -0.986 1.00 24.12 O ATOM 745 CB GLU A 49 3.643 19.505 -3.889 1.00 63.54 C ATOM 746 CG GLU A 49 4.153 18.479 -4.888 1.00 51.45 C ATOM 747 CD GLU A 49 5.440 17.817 -4.439 1.00 25.52 C ATOM 748 OE1 GLU A 49 6.459 18.527 -4.309 1.00 41.53 O ATOM 749 OE2 GLU A 49 5.430 16.588 -4.217 1.00 32.12 O ATOM 0 H GLU A 49 2.663 17.374 -3.005 1.00 63.44 H new ATOM 0 HA GLU A 49 4.824 19.092 -2.142 1.00 13.41 H new ATOM 0 HB2 GLU A 49 2.596 19.718 -4.102 1.00 63.54 H new ATOM 0 HB3 GLU A 49 4.192 20.437 -4.025 1.00 63.54 H new ATOM 0 HG2 GLU A 49 3.390 17.715 -5.040 1.00 51.45 H new ATOM 0 HG3 GLU A 49 4.315 18.964 -5.851 1.00 51.45 H new ATOM 756 N GLU A 50 1.697 19.722 -1.368 1.00 25.42 N ATOM 757 CA GLU A 50 0.835 20.546 -0.530 1.00 3.45 C ATOM 758 C GLU A 50 1.355 20.595 0.904 1.00 25.43 C ATOM 759 O GLU A 50 1.222 21.608 1.591 1.00 21.31 O ATOM 760 CB GLU A 50 -0.597 20.007 -0.546 1.00 44.43 C ATOM 761 CG GLU A 50 -1.390 20.426 -1.772 1.00 53.44 C ATOM 762 CD GLU A 50 -1.011 19.637 -3.011 1.00 0.45 C ATOM 763 OE1 GLU A 50 0.070 19.906 -3.576 1.00 71.40 O ATOM 764 OE2 GLU A 50 -1.794 18.753 -3.414 1.00 72.31 O ATOM 0 H GLU A 50 1.226 18.932 -1.809 1.00 25.42 H new ATOM 0 HA GLU A 50 0.839 21.558 -0.935 1.00 3.45 H new ATOM 0 HB2 GLU A 50 -0.567 18.918 -0.497 1.00 44.43 H new ATOM 0 HB3 GLU A 50 -1.116 20.352 0.348 1.00 44.43 H new ATOM 0 HG2 GLU A 50 -2.454 20.295 -1.574 1.00 53.44 H new ATOM 0 HG3 GLU A 50 -1.229 21.488 -1.959 1.00 53.44 H new ATOM 771 N PHE A 51 1.948 19.492 1.350 1.00 63.12 N ATOM 772 CA PHE A 51 2.487 19.407 2.702 1.00 24.31 C ATOM 773 C PHE A 51 4.009 19.526 2.690 1.00 54.14 C ATOM 774 O PHE A 51 4.624 19.860 3.701 1.00 63.10 O ATOM 775 CB PHE A 51 2.073 18.087 3.357 1.00 44.22 C ATOM 776 CG PHE A 51 1.385 18.265 4.680 1.00 74.44 C ATOM 777 CD1 PHE A 51 0.031 17.999 4.812 1.00 2.20 C ATOM 778 CD2 PHE A 51 2.090 18.697 5.791 1.00 44.33 C ATOM 779 CE1 PHE A 51 -0.606 18.161 6.028 1.00 2.00 C ATOM 780 CE2 PHE A 51 1.459 18.860 7.009 1.00 0.52 C ATOM 781 CZ PHE A 51 0.109 18.593 7.128 1.00 41.32 C ATOM 0 H PHE A 51 2.067 18.645 0.795 1.00 63.12 H new ATOM 0 HA PHE A 51 2.080 20.236 3.281 1.00 24.31 H new ATOM 0 HB2 PHE A 51 1.410 17.547 2.681 1.00 44.22 H new ATOM 0 HB3 PHE A 51 2.958 17.467 3.497 1.00 44.22 H new ATOM 0 HD1 PHE A 51 -0.533 17.661 3.955 1.00 2.20 H new ATOM 0 HD2 PHE A 51 3.145 18.909 5.704 1.00 44.33 H new ATOM 0 HE1 PHE A 51 -1.661 17.950 6.118 1.00 2.00 H new ATOM 0 HE2 PHE A 51 2.021 19.196 7.868 1.00 0.52 H new ATOM 0 HZ PHE A 51 -0.386 18.722 8.079 1.00 41.32 H new ATOM 791 N GLY A 52 4.609 19.250 1.536 1.00 74.33 N ATOM 792 CA GLY A 52 6.052 19.331 1.412 1.00 23.32 C ATOM 793 C GLY A 52 6.761 18.217 2.157 1.00 3.22 C ATOM 794 O GLY A 52 7.986 18.228 2.284 1.00 61.03 O ATOM 0 H GLY A 52 4.121 18.972 0.685 1.00 74.33 H new ATOM 0 HA2 GLY A 52 6.326 19.291 0.358 1.00 23.32 H new ATOM 0 HA3 GLY A 52 6.393 20.293 1.793 1.00 23.32 H new ATOM 798 N ILE A 53 5.991 17.255 2.653 1.00 73.23 N ATOM 799 CA ILE A 53 6.553 16.130 3.390 1.00 60.15 C ATOM 800 C ILE A 53 5.726 14.866 3.179 1.00 13.32 C ATOM 801 O ILE A 53 4.801 14.846 2.368 1.00 73.31 O ATOM 802 CB ILE A 53 6.637 16.430 4.898 1.00 53.12 C ATOM 803 CG1 ILE A 53 5.233 16.539 5.497 1.00 50.22 C ATOM 804 CG2 ILE A 53 7.423 17.710 5.140 1.00 31.23 C ATOM 805 CD1 ILE A 53 5.231 16.820 6.983 1.00 35.53 C ATOM 0 H ILE A 53 4.976 17.232 2.558 1.00 73.23 H new ATOM 0 HA ILE A 53 7.560 15.971 3.003 1.00 60.15 H new ATOM 0 HB ILE A 53 7.158 15.608 5.389 1.00 53.12 H new ATOM 0 HG12 ILE A 53 4.689 17.332 4.985 1.00 50.22 H new ATOM 0 HG13 ILE A 53 4.694 15.610 5.310 1.00 50.22 H new ATOM 0 HG21 ILE A 53 7.474 17.909 6.210 1.00 31.23 H new ATOM 0 HG22 ILE A 53 8.432 17.598 4.743 1.00 31.23 H new ATOM 0 HG23 ILE A 53 6.927 18.542 4.640 1.00 31.23 H new ATOM 0 HD11 ILE A 53 4.203 16.884 7.340 1.00 35.53 H new ATOM 0 HD12 ILE A 53 5.747 16.015 7.506 1.00 35.53 H new ATOM 0 HD13 ILE A 53 5.742 17.764 7.176 1.00 35.53 H new ATOM 817 N ALA A 54 6.064 13.814 3.917 1.00 4.23 N ATOM 818 CA ALA A 54 5.351 12.548 3.815 1.00 74.53 C ATOM 819 C ALA A 54 5.308 11.831 5.160 1.00 63.30 C ATOM 820 O ALA A 54 6.186 11.026 5.473 1.00 13.33 O ATOM 821 CB ALA A 54 5.998 11.660 2.762 1.00 44.41 C ATOM 0 H ALA A 54 6.828 13.814 4.593 1.00 4.23 H new ATOM 0 HA ALA A 54 4.325 12.762 3.514 1.00 74.53 H new ATOM 0 HB1 ALA A 54 5.454 10.717 2.697 1.00 44.41 H new ATOM 0 HB2 ALA A 54 5.970 12.163 1.795 1.00 44.41 H new ATOM 0 HB3 ALA A 54 7.034 11.463 3.039 1.00 44.41 H new ATOM 827 N SER A 55 4.283 12.128 5.952 1.00 41.40 N ATOM 828 CA SER A 55 4.129 11.515 7.266 1.00 3.41 C ATOM 829 C SER A 55 2.866 12.021 7.957 1.00 44.11 C ATOM 830 O SER A 55 1.865 11.311 8.042 1.00 34.42 O ATOM 831 CB SER A 55 5.353 11.810 8.136 1.00 32.00 C ATOM 832 OG SER A 55 6.022 12.979 7.696 1.00 11.11 O ATOM 0 H SER A 55 3.547 12.790 5.707 1.00 41.40 H new ATOM 0 HA SER A 55 4.040 10.437 7.129 1.00 3.41 H new ATOM 0 HB2 SER A 55 5.044 11.933 9.174 1.00 32.00 H new ATOM 0 HB3 SER A 55 6.038 10.962 8.106 1.00 32.00 H new ATOM 0 HG SER A 55 6.799 13.146 8.269 1.00 11.11 H new ATOM 838 N VAL A 56 2.922 13.255 8.449 1.00 23.53 N ATOM 839 CA VAL A 56 1.784 13.857 9.132 1.00 12.41 C ATOM 840 C VAL A 56 0.652 14.154 8.155 1.00 15.53 C ATOM 841 O VAL A 56 -0.499 14.327 8.557 1.00 74.30 O ATOM 842 CB VAL A 56 2.185 15.161 9.848 1.00 34.21 C ATOM 843 CG1 VAL A 56 3.334 14.909 10.812 1.00 10.00 C ATOM 844 CG2 VAL A 56 2.553 16.233 8.834 1.00 3.43 C ATOM 0 H VAL A 56 3.743 13.857 8.387 1.00 23.53 H new ATOM 0 HA VAL A 56 1.441 13.135 9.873 1.00 12.41 H new ATOM 0 HB VAL A 56 1.331 15.517 10.424 1.00 34.21 H new ATOM 0 HG11 VAL A 56 3.604 15.841 11.308 1.00 10.00 H new ATOM 0 HG12 VAL A 56 3.029 14.176 11.558 1.00 10.00 H new ATOM 0 HG13 VAL A 56 4.195 14.529 10.261 1.00 10.00 H new ATOM 0 HG21 VAL A 56 2.834 17.147 9.357 1.00 3.43 H new ATOM 0 HG22 VAL A 56 3.392 15.889 8.229 1.00 3.43 H new ATOM 0 HG23 VAL A 56 1.698 16.432 8.188 1.00 3.43 H new ATOM 854 N ASP A 57 0.986 14.213 6.871 1.00 72.30 N ATOM 855 CA ASP A 57 -0.003 14.488 5.835 1.00 33.52 C ATOM 856 C ASP A 57 -1.051 13.380 5.777 1.00 43.05 C ATOM 857 O ASP A 57 -2.149 13.577 5.256 1.00 3.43 O ATOM 858 CB ASP A 57 0.679 14.634 4.474 1.00 22.33 C ATOM 859 CG ASP A 57 1.074 13.297 3.878 1.00 73.21 C ATOM 860 OD1 ASP A 57 1.760 12.517 4.571 1.00 23.11 O ATOM 861 OD2 ASP A 57 0.695 13.030 2.718 1.00 3.13 O ATOM 0 H ASP A 57 1.934 14.074 6.522 1.00 72.30 H new ATOM 0 HA ASP A 57 -0.503 15.424 6.084 1.00 33.52 H new ATOM 0 HB2 ASP A 57 0.008 15.150 3.788 1.00 22.33 H new ATOM 0 HB3 ASP A 57 1.567 15.257 4.581 1.00 22.33 H new ATOM 866 N SER A 58 -0.703 12.214 6.313 1.00 41.55 N ATOM 867 CA SER A 58 -1.611 11.074 6.317 1.00 71.32 C ATOM 868 C SER A 58 -2.893 11.403 7.076 1.00 21.40 C ATOM 869 O SER A 58 -3.933 10.783 6.857 1.00 73.03 O ATOM 870 CB SER A 58 -0.931 9.856 6.945 1.00 30.21 C ATOM 871 OG SER A 58 -0.200 9.124 5.977 1.00 71.43 O ATOM 0 H SER A 58 0.201 12.035 6.750 1.00 41.55 H new ATOM 0 HA SER A 58 -1.870 10.844 5.284 1.00 71.32 H new ATOM 0 HB2 SER A 58 -0.262 10.180 7.742 1.00 30.21 H new ATOM 0 HB3 SER A 58 -1.682 9.212 7.402 1.00 30.21 H new ATOM 0 HG SER A 58 0.226 8.352 6.404 1.00 71.43 H new ATOM 877 N MET A 59 -2.809 12.382 7.970 1.00 43.40 N ATOM 878 CA MET A 59 -3.962 12.795 8.762 1.00 41.35 C ATOM 879 C MET A 59 -3.818 14.244 9.218 1.00 63.25 C ATOM 880 O MET A 59 -3.628 14.515 10.403 1.00 53.12 O ATOM 881 CB MET A 59 -4.128 11.880 9.976 1.00 3.12 C ATOM 882 CG MET A 59 -4.777 10.546 9.648 1.00 73.34 C ATOM 883 SD MET A 59 -5.217 9.605 11.122 1.00 40.41 S ATOM 884 CE MET A 59 -3.772 8.563 11.302 1.00 23.01 C ATOM 0 H MET A 59 -1.955 12.904 8.164 1.00 43.40 H new ATOM 0 HA MET A 59 -4.849 12.717 8.134 1.00 41.35 H new ATOM 0 HB2 MET A 59 -3.149 11.699 10.420 1.00 3.12 H new ATOM 0 HB3 MET A 59 -4.729 12.392 10.727 1.00 3.12 H new ATOM 0 HG2 MET A 59 -5.673 10.719 9.052 1.00 73.34 H new ATOM 0 HG3 MET A 59 -4.095 9.956 9.035 1.00 73.34 H new ATOM 0 HE1 MET A 59 -3.893 7.920 12.174 1.00 23.01 H new ATOM 0 HE2 MET A 59 -3.654 7.947 10.411 1.00 23.01 H new ATOM 0 HE3 MET A 59 -2.887 9.187 11.431 1.00 23.01 H new ATOM 894 N ALA A 60 -3.908 15.170 8.269 1.00 74.02 N ATOM 895 CA ALA A 60 -3.790 16.590 8.574 1.00 43.31 C ATOM 896 C ALA A 60 -4.665 17.426 7.646 1.00 10.13 C ATOM 897 O ALA A 60 -4.163 18.124 6.766 1.00 51.02 O ATOM 898 CB ALA A 60 -2.337 17.032 8.473 1.00 54.44 C ATOM 0 H ALA A 60 -4.062 14.962 7.282 1.00 74.02 H new ATOM 0 HA ALA A 60 -4.136 16.747 9.595 1.00 43.31 H new ATOM 0 HB1 ALA A 60 -2.263 18.095 8.703 1.00 54.44 H new ATOM 0 HB2 ALA A 60 -1.734 16.464 9.182 1.00 54.44 H new ATOM 0 HB3 ALA A 60 -1.972 16.854 7.462 1.00 54.44 H new ATOM 904 N ALA A 61 -5.976 17.350 7.849 1.00 32.35 N ATOM 905 CA ALA A 61 -6.921 18.100 7.032 1.00 40.41 C ATOM 906 C ALA A 61 -8.298 18.143 7.684 1.00 15.55 C ATOM 907 O ALA A 61 -8.658 17.257 8.460 1.00 10.23 O ATOM 908 CB ALA A 61 -7.013 17.493 5.640 1.00 51.12 C ATOM 0 H ALA A 61 -6.408 16.776 8.573 1.00 32.35 H new ATOM 0 HA ALA A 61 -6.556 19.124 6.947 1.00 40.41 H new ATOM 0 HB1 ALA A 61 -7.723 18.063 5.041 1.00 51.12 H new ATOM 0 HB2 ALA A 61 -6.032 17.521 5.165 1.00 51.12 H new ATOM 0 HB3 ALA A 61 -7.350 16.459 5.715 1.00 51.12 H new ATOM 914 N THR A 62 -9.067 19.181 7.366 1.00 30.42 N ATOM 915 CA THR A 62 -10.404 19.340 7.923 1.00 54.20 C ATOM 916 C THR A 62 -11.385 19.835 6.866 1.00 44.43 C ATOM 917 O THR A 62 -10.985 20.420 5.858 1.00 30.20 O ATOM 918 CB THR A 62 -10.406 20.324 9.109 1.00 64.44 C ATOM 919 OG1 THR A 62 -9.421 21.343 8.901 1.00 74.32 O ATOM 920 CG2 THR A 62 -10.123 19.597 10.415 1.00 64.13 C ATOM 0 H THR A 62 -8.786 19.923 6.726 1.00 30.42 H new ATOM 0 HA THR A 62 -10.718 18.357 8.275 1.00 54.20 H new ATOM 0 HB THR A 62 -11.393 20.781 9.173 1.00 64.44 H new ATOM 0 HG1 THR A 62 -9.429 21.965 9.658 1.00 74.32 H new ATOM 0 HG21 THR A 62 -10.129 20.312 11.238 1.00 64.13 H new ATOM 0 HG22 THR A 62 -10.890 18.841 10.584 1.00 64.13 H new ATOM 0 HG23 THR A 62 -9.146 19.116 10.360 1.00 64.13 H new ATOM 928 N THR A 63 -12.672 19.599 7.101 1.00 25.13 N ATOM 929 CA THR A 63 -13.709 20.021 6.169 1.00 72.41 C ATOM 930 C THR A 63 -14.271 21.385 6.551 1.00 4.25 C ATOM 931 O THR A 63 -14.058 21.866 7.665 1.00 42.02 O ATOM 932 CB THR A 63 -14.862 19.001 6.113 1.00 35.12 C ATOM 933 OG1 THR A 63 -15.744 19.317 5.030 1.00 60.01 O ATOM 934 CG2 THR A 63 -15.640 18.992 7.421 1.00 74.15 C ATOM 0 H THR A 63 -13.021 19.117 7.930 1.00 25.13 H new ATOM 0 HA THR A 63 -13.242 20.086 5.186 1.00 72.41 H new ATOM 0 HB THR A 63 -14.434 18.011 5.955 1.00 35.12 H new ATOM 0 HG1 THR A 63 -16.473 18.663 5.000 1.00 60.01 H new ATOM 0 HG21 THR A 63 -16.449 18.264 7.358 1.00 74.15 H new ATOM 0 HG22 THR A 63 -14.973 18.723 8.240 1.00 74.15 H new ATOM 0 HG23 THR A 63 -16.056 19.983 7.603 1.00 74.15 H new ATOM 942 N LYS A 64 -14.990 22.006 5.622 1.00 24.42 N ATOM 943 CA LYS A 64 -15.584 23.315 5.862 1.00 54.10 C ATOM 944 C LYS A 64 -16.623 23.245 6.977 1.00 52.03 C ATOM 945 O LYS A 64 -16.876 24.234 7.666 1.00 63.43 O ATOM 946 CB LYS A 64 -16.231 23.847 4.581 1.00 62.23 C ATOM 947 CG LYS A 64 -15.342 23.724 3.355 1.00 12.10 C ATOM 948 CD LYS A 64 -14.004 24.413 3.565 1.00 53.10 C ATOM 949 CE LYS A 64 -12.854 23.418 3.534 1.00 51.45 C ATOM 950 NZ LYS A 64 -11.649 23.985 2.868 1.00 44.32 N ATOM 0 H LYS A 64 -15.175 21.623 4.695 1.00 24.42 H new ATOM 0 HA LYS A 64 -14.790 23.995 6.171 1.00 54.10 H new ATOM 0 HB2 LYS A 64 -17.160 23.306 4.402 1.00 62.23 H new ATOM 0 HB3 LYS A 64 -16.495 24.895 4.725 1.00 62.23 H new ATOM 0 HG2 LYS A 64 -15.178 22.671 3.128 1.00 12.10 H new ATOM 0 HG3 LYS A 64 -15.846 24.161 2.493 1.00 12.10 H new ATOM 0 HD2 LYS A 64 -13.856 25.166 2.791 1.00 53.10 H new ATOM 0 HD3 LYS A 64 -14.009 24.936 4.522 1.00 53.10 H new ATOM 0 HE2 LYS A 64 -12.601 23.123 4.552 1.00 51.45 H new ATOM 0 HE3 LYS A 64 -13.168 22.516 3.009 1.00 51.45 H new ATOM 0 HZ1 LYS A 64 -10.964 23.224 2.684 1.00 44.32 H new ATOM 0 HZ2 LYS A 64 -11.925 24.427 1.968 1.00 44.32 H new ATOM 0 HZ3 LYS A 64 -11.215 24.700 3.486 1.00 44.32 H new ATOM 964 N ASP A 65 -17.221 22.071 7.149 1.00 2.32 N ATOM 965 CA ASP A 65 -18.230 21.872 8.182 1.00 34.24 C ATOM 966 C ASP A 65 -17.583 21.747 9.558 1.00 1.10 C ATOM 967 O ASP A 65 -18.224 21.985 10.581 1.00 62.11 O ATOM 968 CB ASP A 65 -19.060 20.623 7.880 1.00 31.14 C ATOM 969 CG ASP A 65 -20.545 20.850 8.087 1.00 3.13 C ATOM 970 OD1 ASP A 65 -21.169 21.510 7.231 1.00 53.55 O ATOM 971 OD2 ASP A 65 -21.082 20.367 9.105 1.00 32.14 O ATOM 0 H ASP A 65 -17.024 21.243 6.586 1.00 2.32 H new ATOM 0 HA ASP A 65 -18.886 22.743 8.187 1.00 34.24 H new ATOM 0 HB2 ASP A 65 -18.883 20.313 6.850 1.00 31.14 H new ATOM 0 HB3 ASP A 65 -18.728 19.806 8.520 1.00 31.14 H new ATOM 976 N GLY A 66 -16.308 21.371 9.575 1.00 44.25 N ATOM 977 CA GLY A 66 -15.595 21.220 10.830 1.00 41.03 C ATOM 978 C GLY A 66 -14.593 20.083 10.794 1.00 32.03 C ATOM 979 O GLY A 66 -13.542 20.190 10.161 1.00 32.14 O ATOM 0 H GLY A 66 -15.756 21.168 8.742 1.00 44.25 H new ATOM 0 HA2 GLY A 66 -15.077 22.150 11.064 1.00 41.03 H new ATOM 0 HA3 GLY A 66 -16.311 21.044 11.632 1.00 41.03 H new ATOM 983 N THR A 67 -14.917 18.989 11.478 1.00 50.44 N ATOM 984 CA THR A 67 -14.037 17.829 11.524 1.00 22.25 C ATOM 985 C THR A 67 -13.941 17.156 10.160 1.00 70.00 C ATOM 986 O THR A 67 -14.955 16.884 9.518 1.00 1.24 O ATOM 987 CB THR A 67 -14.522 16.797 12.560 1.00 32.00 C ATOM 988 OG1 THR A 67 -15.452 17.408 13.462 1.00 60.14 O ATOM 989 CG2 THR A 67 -13.351 16.224 13.343 1.00 23.11 C ATOM 0 H THR A 67 -15.783 18.883 12.007 1.00 50.44 H new ATOM 0 HA THR A 67 -13.052 18.192 11.817 1.00 22.25 H new ATOM 0 HB THR A 67 -15.014 15.984 12.026 1.00 32.00 H new ATOM 0 HG1 THR A 67 -15.757 16.745 14.116 1.00 60.14 H new ATOM 0 HG21 THR A 67 -13.719 15.498 14.068 1.00 23.11 H new ATOM 0 HG22 THR A 67 -12.660 15.734 12.657 1.00 23.11 H new ATOM 0 HG23 THR A 67 -12.834 17.029 13.866 1.00 23.11 H new ATOM 997 N GLY A 68 -12.714 16.889 9.722 1.00 74.34 N ATOM 998 CA GLY A 68 -12.509 16.249 8.435 1.00 34.13 C ATOM 999 C GLY A 68 -11.449 15.167 8.488 1.00 30.04 C ATOM 1000 O GLY A 68 -10.343 15.347 7.978 1.00 1.43 O ATOM 0 H GLY A 68 -11.859 17.104 10.235 1.00 74.34 H new ATOM 0 HA2 GLY A 68 -13.449 15.816 8.094 1.00 34.13 H new ATOM 0 HA3 GLY A 68 -12.220 17.001 7.701 1.00 34.13 H new ATOM 1004 N ILE A 69 -11.786 14.041 9.108 1.00 25.03 N ATOM 1005 CA ILE A 69 -10.853 12.927 9.226 1.00 33.44 C ATOM 1006 C ILE A 69 -10.808 12.109 7.940 1.00 32.11 C ATOM 1007 O ILE A 69 -11.844 11.796 7.355 1.00 51.42 O ATOM 1008 CB ILE A 69 -11.229 12.000 10.398 1.00 73.14 C ATOM 1009 CG1 ILE A 69 -10.125 10.968 10.635 1.00 61.24 C ATOM 1010 CG2 ILE A 69 -12.557 11.310 10.122 1.00 63.53 C ATOM 1011 CD1 ILE A 69 -8.793 11.582 11.006 1.00 53.04 C ATOM 0 H ILE A 69 -12.697 13.876 9.536 1.00 25.03 H new ATOM 0 HA ILE A 69 -9.869 13.357 9.414 1.00 33.44 H new ATOM 0 HB ILE A 69 -11.336 12.603 11.300 1.00 73.14 H new ATOM 0 HG12 ILE A 69 -10.437 10.290 11.429 1.00 61.24 H new ATOM 0 HG13 ILE A 69 -10.001 10.368 9.734 1.00 61.24 H new ATOM 0 HG21 ILE A 69 -12.809 10.659 10.959 1.00 63.53 H new ATOM 0 HG22 ILE A 69 -13.338 12.060 9.998 1.00 63.53 H new ATOM 0 HG23 ILE A 69 -12.476 10.716 9.211 1.00 63.53 H new ATOM 0 HD11 ILE A 69 -8.058 10.792 11.159 1.00 53.04 H new ATOM 0 HD12 ILE A 69 -8.458 12.238 10.202 1.00 53.04 H new ATOM 0 HD13 ILE A 69 -8.902 12.159 11.924 1.00 53.04 H new ATOM 1023 N ASN A 70 -9.600 11.764 7.507 1.00 51.04 N ATOM 1024 CA ASN A 70 -9.419 10.981 6.290 1.00 74.13 C ATOM 1025 C ASN A 70 -8.950 9.567 6.618 1.00 74.44 C ATOM 1026 O ASN A 70 -7.760 9.254 6.571 1.00 75.01 O ATOM 1027 CB ASN A 70 -8.410 11.663 5.364 1.00 1.33 C ATOM 1028 CG ASN A 70 -8.509 13.176 5.415 1.00 33.43 C ATOM 1029 OD1 ASN A 70 -9.260 13.786 4.654 1.00 34.51 O ATOM 1030 ND2 ASN A 70 -7.749 13.788 6.316 1.00 51.35 N ATOM 0 H ASN A 70 -8.732 12.014 7.981 1.00 51.04 H new ATOM 0 HA ASN A 70 -10.382 10.917 5.783 1.00 74.13 H new ATOM 0 HB2 ASN A 70 -7.401 11.358 5.643 1.00 1.33 H new ATOM 0 HB3 ASN A 70 -8.574 11.325 4.341 1.00 1.33 H new ATOM 0 HD21 ASN A 70 -7.773 14.804 6.398 1.00 51.35 H new ATOM 0 HD22 ASN A 70 -7.141 13.242 6.926 1.00 51.35 H new ATOM 1037 N PRO A 71 -9.907 8.690 6.957 1.00 30.21 N ATOM 1038 CA PRO A 71 -9.617 7.294 7.298 1.00 4.02 C ATOM 1039 C PRO A 71 -9.166 6.483 6.088 1.00 0.10 C ATOM 1040 O PRO A 71 -8.156 5.783 6.140 1.00 65.32 O ATOM 1041 CB PRO A 71 -10.956 6.771 7.824 1.00 41.24 C ATOM 1042 CG PRO A 71 -11.981 7.638 7.177 1.00 62.20 C ATOM 1043 CD PRO A 71 -11.346 8.993 7.033 1.00 1.44 C ATOM 0 HA PRO A 71 -8.801 7.211 8.015 1.00 4.02 H new ATOM 0 HB2 PRO A 71 -11.102 5.723 7.563 1.00 41.24 H new ATOM 0 HB3 PRO A 71 -11.008 6.839 8.911 1.00 41.24 H new ATOM 0 HG2 PRO A 71 -12.273 7.239 6.206 1.00 62.20 H new ATOM 0 HG3 PRO A 71 -12.885 7.693 7.784 1.00 62.20 H new ATOM 0 HD2 PRO A 71 -11.696 9.508 6.138 1.00 1.44 H new ATOM 0 HD3 PRO A 71 -11.577 9.637 7.882 1.00 1.44 H new ATOM 1051 N ALA A 72 -9.922 6.583 5.000 1.00 41.44 N ATOM 1052 CA ALA A 72 -9.598 5.861 3.776 1.00 54.14 C ATOM 1053 C ALA A 72 -9.066 6.807 2.704 1.00 20.14 C ATOM 1054 O ALA A 72 -8.283 6.406 1.844 1.00 73.34 O ATOM 1055 CB ALA A 72 -10.822 5.116 3.263 1.00 20.24 C ATOM 0 H ALA A 72 -10.763 7.157 4.941 1.00 41.44 H new ATOM 0 HA ALA A 72 -8.815 5.138 4.007 1.00 54.14 H new ATOM 0 HB1 ALA A 72 -10.566 4.581 2.348 1.00 20.24 H new ATOM 0 HB2 ALA A 72 -11.158 4.404 4.017 1.00 20.24 H new ATOM 0 HB3 ALA A 72 -11.621 5.828 3.055 1.00 20.24 H new ATOM 1061 N GLN A 73 -9.496 8.063 2.764 1.00 52.02 N ATOM 1062 CA GLN A 73 -9.063 9.065 1.797 1.00 70.21 C ATOM 1063 C GLN A 73 -9.271 8.570 0.370 1.00 60.44 C ATOM 1064 O GLN A 73 -8.560 8.976 -0.550 1.00 52.04 O ATOM 1065 CB GLN A 73 -7.591 9.415 2.019 1.00 65.25 C ATOM 1066 CG GLN A 73 -7.148 9.294 3.468 1.00 62.43 C ATOM 1067 CD GLN A 73 -6.080 10.304 3.838 1.00 15.43 C ATOM 1068 OE1 GLN A 73 -6.189 11.487 3.512 1.00 65.34 O ATOM 1069 NE2 GLN A 73 -5.041 9.844 4.525 1.00 72.33 N ATOM 0 H GLN A 73 -10.143 8.411 3.471 1.00 52.02 H new ATOM 0 HA GLN A 73 -9.668 9.960 1.943 1.00 70.21 H new ATOM 0 HB2 GLN A 73 -6.974 8.761 1.403 1.00 65.25 H new ATOM 0 HB3 GLN A 73 -7.413 10.435 1.678 1.00 65.25 H new ATOM 0 HG2 GLN A 73 -8.011 9.428 4.120 1.00 62.43 H new ATOM 0 HG3 GLN A 73 -6.768 8.288 3.645 1.00 62.43 H new ATOM 0 HE21 GLN A 73 -4.991 8.856 4.774 1.00 72.33 H new ATOM 0 HE22 GLN A 73 -4.293 10.479 4.804 1.00 72.33 H new ATOM 1078 N THR A 74 -10.250 7.688 0.191 1.00 52.22 N ATOM 1079 CA THR A 74 -10.551 7.136 -1.124 1.00 0.01 C ATOM 1080 C THR A 74 -11.361 8.119 -1.961 1.00 14.11 C ATOM 1081 O THR A 74 -11.978 9.041 -1.428 1.00 54.02 O ATOM 1082 CB THR A 74 -11.329 5.811 -1.012 1.00 41.33 C ATOM 1083 OG1 THR A 74 -11.021 5.166 0.228 1.00 35.43 O ATOM 1084 CG2 THR A 74 -10.989 4.885 -2.170 1.00 22.20 C ATOM 0 H THR A 74 -10.848 7.341 0.941 1.00 52.22 H new ATOM 0 HA THR A 74 -9.596 6.948 -1.614 1.00 0.01 H new ATOM 0 HB THR A 74 -12.395 6.036 -1.049 1.00 41.33 H new ATOM 0 HG1 THR A 74 -11.521 4.325 0.292 1.00 35.43 H new ATOM 0 HG21 THR A 74 -11.550 3.956 -2.070 1.00 22.20 H new ATOM 0 HG22 THR A 74 -11.252 5.368 -3.111 1.00 22.20 H new ATOM 0 HG23 THR A 74 -9.921 4.667 -2.160 1.00 22.20 H new ATOM 1092 N ALA A 75 -11.356 7.916 -3.274 1.00 61.13 N ATOM 1093 CA ALA A 75 -12.093 8.783 -4.185 1.00 12.24 C ATOM 1094 C ALA A 75 -13.592 8.715 -3.914 1.00 54.22 C ATOM 1095 O ALA A 75 -14.273 9.739 -3.878 1.00 15.15 O ATOM 1096 CB ALA A 75 -11.798 8.406 -5.629 1.00 23.24 C ATOM 0 H ALA A 75 -10.849 7.158 -3.731 1.00 61.13 H new ATOM 0 HA ALA A 75 -11.765 9.809 -4.016 1.00 12.24 H new ATOM 0 HB1 ALA A 75 -12.355 9.062 -6.297 1.00 23.24 H new ATOM 0 HB2 ALA A 75 -10.731 8.513 -5.822 1.00 23.24 H new ATOM 0 HB3 ALA A 75 -12.096 7.372 -5.803 1.00 23.24 H new ATOM 1102 N GLY A 76 -14.101 7.501 -3.726 1.00 2.11 N ATOM 1103 CA GLY A 76 -15.517 7.323 -3.462 1.00 63.52 C ATOM 1104 C GLY A 76 -15.936 7.908 -2.128 1.00 73.53 C ATOM 1105 O GLY A 76 -17.026 8.465 -2.003 1.00 4.22 O ATOM 0 H GLY A 76 -13.558 6.638 -3.752 1.00 2.11 H new ATOM 0 HA2 GLY A 76 -16.094 7.793 -4.259 1.00 63.52 H new ATOM 0 HA3 GLY A 76 -15.756 6.260 -3.480 1.00 63.52 H new ATOM 1109 N ASN A 77 -15.070 7.779 -1.129 1.00 21.34 N ATOM 1110 CA ASN A 77 -15.358 8.297 0.204 1.00 43.32 C ATOM 1111 C ASN A 77 -15.287 9.821 0.221 1.00 4.24 C ATOM 1112 O ASN A 77 -16.286 10.497 0.466 1.00 50.45 O ATOM 1113 CB ASN A 77 -14.374 7.718 1.223 1.00 73.13 C ATOM 1114 CG ASN A 77 -14.672 6.268 1.554 1.00 50.22 C ATOM 1115 OD1 ASN A 77 -14.476 5.387 0.580 1.00 55.12 O flip ATOM 1116 ND2 ASN A 77 -15.073 5.945 2.672 1.00 23.21 N flip ATOM 0 H ASN A 77 -14.163 7.320 -1.217 1.00 21.34 H new ATOM 0 HA ASN A 77 -16.370 7.994 0.474 1.00 43.32 H new ATOM 0 HB2 ASN A 77 -13.360 7.798 0.831 1.00 73.13 H new ATOM 0 HB3 ASN A 77 -14.410 8.311 2.137 1.00 73.13 H new ATOM 0 HD21 ASN A 77 -15.209 6.656 3.390 1.00 23.21 H new ATOM 0 HD22 ASN A 77 -15.269 4.966 2.880 1.00 23.21 H new ATOM 1123 N VAL A 78 -14.098 10.356 -0.040 1.00 21.14 N ATOM 1124 CA VAL A 78 -13.896 11.800 -0.056 1.00 21.33 C ATOM 1125 C VAL A 78 -14.930 12.489 -0.939 1.00 5.52 C ATOM 1126 O VAL A 78 -15.275 13.650 -0.718 1.00 15.24 O ATOM 1127 CB VAL A 78 -12.485 12.164 -0.555 1.00 71.54 C ATOM 1128 CG1 VAL A 78 -11.426 11.435 0.258 1.00 70.24 C ATOM 1129 CG2 VAL A 78 -12.346 11.844 -2.036 1.00 60.21 C ATOM 0 H VAL A 78 -13.260 9.811 -0.243 1.00 21.14 H new ATOM 0 HA VAL A 78 -14.010 12.147 0.971 1.00 21.33 H new ATOM 0 HB VAL A 78 -12.336 13.236 -0.422 1.00 71.54 H new ATOM 0 HG11 VAL A 78 -10.436 11.705 -0.109 1.00 70.24 H new ATOM 0 HG12 VAL A 78 -11.514 11.718 1.307 1.00 70.24 H new ATOM 0 HG13 VAL A 78 -11.569 10.359 0.160 1.00 70.24 H new ATOM 0 HG21 VAL A 78 -11.343 12.107 -2.373 1.00 60.21 H new ATOM 0 HG22 VAL A 78 -12.514 10.779 -2.195 1.00 60.21 H new ATOM 0 HG23 VAL A 78 -13.081 12.416 -2.602 1.00 60.21 H new ATOM 1139 N PHE A 79 -15.420 11.767 -1.941 1.00 12.25 N ATOM 1140 CA PHE A 79 -16.415 12.310 -2.859 1.00 20.54 C ATOM 1141 C PHE A 79 -17.627 12.838 -2.097 1.00 2.51 C ATOM 1142 O PHE A 79 -18.091 13.951 -2.344 1.00 74.22 O ATOM 1143 CB PHE A 79 -16.855 11.238 -3.859 1.00 2.34 C ATOM 1144 CG PHE A 79 -18.047 11.638 -4.680 1.00 42.42 C ATOM 1145 CD1 PHE A 79 -19.329 11.310 -4.270 1.00 50.15 C ATOM 1146 CD2 PHE A 79 -17.885 12.342 -5.863 1.00 10.55 C ATOM 1147 CE1 PHE A 79 -20.428 11.677 -5.024 1.00 12.11 C ATOM 1148 CE2 PHE A 79 -18.980 12.713 -6.620 1.00 33.51 C ATOM 1149 CZ PHE A 79 -20.253 12.378 -6.201 1.00 13.42 C ATOM 0 H PHE A 79 -15.145 10.805 -2.138 1.00 12.25 H new ATOM 0 HA PHE A 79 -15.959 13.139 -3.401 1.00 20.54 H new ATOM 0 HB2 PHE A 79 -16.023 11.012 -4.526 1.00 2.34 H new ATOM 0 HB3 PHE A 79 -17.088 10.321 -3.318 1.00 2.34 H new ATOM 0 HD1 PHE A 79 -19.471 10.761 -3.351 1.00 50.15 H new ATOM 0 HD2 PHE A 79 -16.892 12.604 -6.197 1.00 10.55 H new ATOM 0 HE1 PHE A 79 -21.422 11.416 -4.693 1.00 12.11 H new ATOM 0 HE2 PHE A 79 -18.841 13.264 -7.538 1.00 33.51 H new ATOM 0 HZ PHE A 79 -21.110 12.664 -6.793 1.00 13.42 H new ATOM 1159 N MET A 80 -18.134 12.032 -1.170 1.00 4.21 N ATOM 1160 CA MET A 80 -19.291 12.419 -0.371 1.00 61.23 C ATOM 1161 C MET A 80 -18.856 12.998 0.971 1.00 51.50 C ATOM 1162 O MET A 80 -19.604 13.737 1.612 1.00 53.13 O ATOM 1163 CB MET A 80 -20.208 11.215 -0.147 1.00 61.11 C ATOM 1164 CG MET A 80 -21.595 11.388 -0.744 1.00 61.25 C ATOM 1165 SD MET A 80 -22.636 12.494 0.226 1.00 13.24 S ATOM 1166 CE MET A 80 -23.598 13.275 -1.067 1.00 12.42 C ATOM 0 H MET A 80 -17.762 11.107 -0.954 1.00 4.21 H new ATOM 0 HA MET A 80 -19.838 13.187 -0.917 1.00 61.23 H new ATOM 0 HB2 MET A 80 -19.743 10.329 -0.580 1.00 61.11 H new ATOM 0 HB3 MET A 80 -20.302 11.035 0.924 1.00 61.11 H new ATOM 0 HG2 MET A 80 -21.504 11.778 -1.758 1.00 61.25 H new ATOM 0 HG3 MET A 80 -22.078 10.414 -0.819 1.00 61.25 H new ATOM 0 HE1 MET A 80 -24.291 13.989 -0.623 1.00 12.42 H new ATOM 0 HE2 MET A 80 -22.930 13.796 -1.753 1.00 12.42 H new ATOM 0 HE3 MET A 80 -24.159 12.516 -1.612 1.00 12.42 H new ATOM 1176 N LYS A 81 -17.642 12.659 1.392 1.00 74.13 N ATOM 1177 CA LYS A 81 -17.107 13.146 2.657 1.00 22.04 C ATOM 1178 C LYS A 81 -16.889 14.655 2.611 1.00 20.04 C ATOM 1179 O LYS A 81 -17.432 15.396 3.432 1.00 62.53 O ATOM 1180 CB LYS A 81 -15.789 12.439 2.983 1.00 42.43 C ATOM 1181 CG LYS A 81 -15.854 11.573 4.229 1.00 55.15 C ATOM 1182 CD LYS A 81 -15.698 12.402 5.493 1.00 62.53 C ATOM 1183 CE LYS A 81 -14.561 11.884 6.361 1.00 52.11 C ATOM 1184 NZ LYS A 81 -14.943 11.827 7.799 1.00 15.11 N ATOM 0 H LYS A 81 -17.010 12.048 0.875 1.00 74.13 H new ATOM 0 HA LYS A 81 -17.834 12.926 3.439 1.00 22.04 H new ATOM 0 HB2 LYS A 81 -15.500 11.819 2.135 1.00 42.43 H new ATOM 0 HB3 LYS A 81 -15.007 13.188 3.112 1.00 42.43 H new ATOM 0 HG2 LYS A 81 -16.806 11.043 4.256 1.00 55.15 H new ATOM 0 HG3 LYS A 81 -15.070 10.817 4.189 1.00 55.15 H new ATOM 0 HD2 LYS A 81 -15.509 13.442 5.227 1.00 62.53 H new ATOM 0 HD3 LYS A 81 -16.629 12.382 6.060 1.00 62.53 H new ATOM 0 HE2 LYS A 81 -14.270 10.889 6.023 1.00 52.11 H new ATOM 0 HE3 LYS A 81 -13.690 12.529 6.242 1.00 52.11 H new ATOM 0 HZ1 LYS A 81 -14.462 11.025 8.254 1.00 15.11 H new ATOM 0 HZ2 LYS A 81 -14.662 12.711 8.268 1.00 15.11 H new ATOM 0 HZ3 LYS A 81 -15.973 11.704 7.880 1.00 15.11 H new ATOM 1198 N TYR A 82 -16.093 15.104 1.647 1.00 33.02 N ATOM 1199 CA TYR A 82 -15.803 16.525 1.495 1.00 34.21 C ATOM 1200 C TYR A 82 -16.314 17.045 0.155 1.00 63.54 C ATOM 1201 O TYR A 82 -16.637 18.223 0.015 1.00 11.31 O ATOM 1202 CB TYR A 82 -14.299 16.775 1.613 1.00 40.35 C ATOM 1203 CG TYR A 82 -13.649 16.033 2.758 1.00 71.50 C ATOM 1204 CD1 TYR A 82 -14.032 16.271 4.072 1.00 21.03 C ATOM 1205 CD2 TYR A 82 -12.652 15.093 2.526 1.00 2.44 C ATOM 1206 CE1 TYR A 82 -13.441 15.595 5.122 1.00 5.43 C ATOM 1207 CE2 TYR A 82 -12.056 14.412 3.570 1.00 50.00 C ATOM 1208 CZ TYR A 82 -12.454 14.667 4.866 1.00 65.40 C ATOM 1209 OH TYR A 82 -11.861 13.991 5.908 1.00 14.04 O ATOM 0 H TYR A 82 -15.637 14.505 0.959 1.00 33.02 H new ATOM 0 HA TYR A 82 -16.317 17.062 2.292 1.00 34.21 H new ATOM 0 HB2 TYR A 82 -13.816 16.482 0.681 1.00 40.35 H new ATOM 0 HB3 TYR A 82 -14.126 17.844 1.739 1.00 40.35 H new ATOM 0 HD1 TYR A 82 -14.805 16.997 4.276 1.00 21.03 H new ATOM 0 HD2 TYR A 82 -12.338 14.891 1.513 1.00 2.44 H new ATOM 0 HE1 TYR A 82 -13.750 15.792 6.138 1.00 5.43 H new ATOM 0 HE2 TYR A 82 -11.283 13.684 3.373 1.00 50.00 H new ATOM 0 HH TYR A 82 -10.924 13.807 5.687 1.00 14.04 H new ATOM 1219 N GLY A 83 -16.384 16.154 -0.830 1.00 64.04 N ATOM 1220 CA GLY A 83 -16.856 16.540 -2.147 1.00 64.13 C ATOM 1221 C GLY A 83 -16.139 17.763 -2.685 1.00 33.05 C ATOM 1222 O GLY A 83 -16.726 18.841 -2.780 1.00 62.42 O ATOM 0 H GLY A 83 -16.122 15.172 -0.739 1.00 64.04 H new ATOM 0 HA2 GLY A 83 -16.717 15.708 -2.838 1.00 64.13 H new ATOM 0 HA3 GLY A 83 -17.926 16.741 -2.101 1.00 64.13 H new ATOM 1226 N GLN A 84 -14.868 17.596 -3.034 1.00 41.32 N ATOM 1227 CA GLN A 84 -14.071 18.697 -3.562 1.00 42.12 C ATOM 1228 C GLN A 84 -14.146 19.913 -2.644 1.00 63.32 C ATOM 1229 O GLN A 84 -14.229 21.049 -3.110 1.00 35.35 O ATOM 1230 CB GLN A 84 -14.548 19.073 -4.966 1.00 13.01 C ATOM 1231 CG GLN A 84 -14.323 17.980 -5.998 1.00 41.12 C ATOM 1232 CD GLN A 84 -14.936 18.313 -7.344 1.00 51.21 C ATOM 1233 OE1 GLN A 84 -14.393 19.114 -8.105 1.00 52.43 O ATOM 1234 NE2 GLN A 84 -16.074 17.698 -7.645 1.00 42.10 N ATOM 0 H GLN A 84 -14.368 16.710 -2.961 1.00 41.32 H new ATOM 0 HA GLN A 84 -13.033 18.368 -3.615 1.00 42.12 H new ATOM 0 HB2 GLN A 84 -15.611 19.312 -4.928 1.00 13.01 H new ATOM 0 HB3 GLN A 84 -14.030 19.977 -5.287 1.00 13.01 H new ATOM 0 HG2 GLN A 84 -13.252 17.817 -6.121 1.00 41.12 H new ATOM 0 HG3 GLN A 84 -14.748 17.046 -5.631 1.00 41.12 H new ATOM 0 HE21 GLN A 84 -16.489 17.041 -6.984 1.00 42.10 H new ATOM 0 HE22 GLN A 84 -16.533 17.882 -8.537 1.00 42.10 H new ATOM 1243 N GLU A 85 -14.115 19.665 -1.338 1.00 75.14 N ATOM 1244 CA GLU A 85 -14.181 20.740 -0.356 1.00 14.32 C ATOM 1245 C GLU A 85 -13.441 20.356 0.922 1.00 70.11 C ATOM 1246 O GLU A 85 -14.057 20.119 1.961 1.00 33.33 O ATOM 1247 CB GLU A 85 -15.639 21.077 -0.032 1.00 65.03 C ATOM 1248 CG GLU A 85 -15.843 22.507 0.439 1.00 24.11 C ATOM 1249 CD GLU A 85 -16.335 23.421 -0.666 1.00 61.02 C ATOM 1250 OE1 GLU A 85 -15.799 23.333 -1.791 1.00 31.51 O ATOM 1251 OE2 GLU A 85 -17.255 24.224 -0.407 1.00 1.31 O ATOM 0 H GLU A 85 -14.045 18.730 -0.936 1.00 75.14 H new ATOM 0 HA GLU A 85 -13.699 21.619 -0.785 1.00 14.32 H new ATOM 0 HB2 GLU A 85 -16.249 20.905 -0.919 1.00 65.03 H new ATOM 0 HB3 GLU A 85 -15.998 20.395 0.739 1.00 65.03 H new ATOM 0 HG2 GLU A 85 -16.561 22.516 1.259 1.00 24.11 H new ATOM 0 HG3 GLU A 85 -14.903 22.893 0.833 1.00 24.11 H new ATOM 1258 N ILE A 86 -12.116 20.296 0.836 1.00 75.01 N ATOM 1259 CA ILE A 86 -11.292 19.941 1.984 1.00 11.04 C ATOM 1260 C ILE A 86 -10.041 20.810 2.053 1.00 50.33 C ATOM 1261 O ILE A 86 -9.446 21.141 1.027 1.00 63.20 O ATOM 1262 CB ILE A 86 -10.873 18.460 1.940 1.00 24.20 C ATOM 1263 CG1 ILE A 86 -9.983 18.123 3.138 1.00 2.13 C ATOM 1264 CG2 ILE A 86 -10.153 18.152 0.636 1.00 44.14 C ATOM 1265 CD1 ILE A 86 -9.770 16.638 3.335 1.00 54.41 C ATOM 0 H ILE A 86 -11.591 20.489 -0.017 1.00 75.01 H new ATOM 0 HA ILE A 86 -11.899 20.112 2.873 1.00 11.04 H new ATOM 0 HB ILE A 86 -11.770 17.843 1.992 1.00 24.20 H new ATOM 0 HG12 ILE A 86 -9.015 18.606 3.008 1.00 2.13 H new ATOM 0 HG13 ILE A 86 -10.429 18.541 4.041 1.00 2.13 H new ATOM 0 HG21 ILE A 86 -9.863 17.101 0.620 1.00 44.14 H new ATOM 0 HG22 ILE A 86 -10.817 18.358 -0.204 1.00 44.14 H new ATOM 0 HG23 ILE A 86 -9.262 18.775 0.556 1.00 44.14 H new ATOM 0 HD11 ILE A 86 -9.130 16.474 4.202 1.00 54.41 H new ATOM 0 HD12 ILE A 86 -10.732 16.151 3.497 1.00 54.41 H new ATOM 0 HD13 ILE A 86 -9.295 16.218 2.448 1.00 54.41 H new ATOM 1277 N ARG A 87 -9.647 21.176 3.268 1.00 23.31 N ATOM 1278 CA ARG A 87 -8.466 22.006 3.471 1.00 44.14 C ATOM 1279 C ARG A 87 -7.379 21.234 4.213 1.00 31.03 C ATOM 1280 O ARG A 87 -7.672 20.391 5.062 1.00 25.23 O ATOM 1281 CB ARG A 87 -8.832 23.270 4.251 1.00 32.20 C ATOM 1282 CG ARG A 87 -8.549 24.557 3.494 1.00 74.14 C ATOM 1283 CD ARG A 87 -7.193 25.135 3.865 1.00 10.43 C ATOM 1284 NE ARG A 87 -7.315 26.413 4.563 1.00 73.33 N ATOM 1285 CZ ARG A 87 -6.283 27.070 5.078 1.00 3.42 C ATOM 1286 NH1 ARG A 87 -5.058 26.574 4.975 1.00 63.14 N ATOM 1287 NH2 ARG A 87 -6.474 28.228 5.698 1.00 34.34 N ATOM 0 H ARG A 87 -10.129 20.911 4.127 1.00 23.31 H new ATOM 0 HA ARG A 87 -8.081 22.291 2.492 1.00 44.14 H new ATOM 0 HB2 ARG A 87 -9.891 23.235 4.507 1.00 32.20 H new ATOM 0 HB3 ARG A 87 -8.277 23.281 5.189 1.00 32.20 H new ATOM 0 HG2 ARG A 87 -8.583 24.364 2.422 1.00 74.14 H new ATOM 0 HG3 ARG A 87 -9.329 25.287 3.711 1.00 74.14 H new ATOM 0 HD2 ARG A 87 -6.658 24.426 4.497 1.00 10.43 H new ATOM 0 HD3 ARG A 87 -6.597 25.270 2.962 1.00 10.43 H new ATOM 0 HE ARG A 87 -8.244 26.823 4.660 1.00 73.33 H new ATOM 0 HH11 ARG A 87 -4.906 25.685 4.499 1.00 63.14 H new ATOM 0 HH12 ARG A 87 -4.267 27.082 5.372 1.00 63.14 H new ATOM 0 HH21 ARG A 87 -7.415 28.614 5.779 1.00 34.34 H new ATOM 0 HH22 ARG A 87 -5.680 28.732 6.093 1.00 34.34 H new ATOM 1301 N LEU A 88 -6.125 21.527 3.888 1.00 40.03 N ATOM 1302 CA LEU A 88 -4.994 20.860 4.523 1.00 3.33 C ATOM 1303 C LEU A 88 -4.455 21.689 5.685 1.00 54.51 C ATOM 1304 O LEU A 88 -3.945 22.793 5.488 1.00 30.25 O ATOM 1305 CB LEU A 88 -3.883 20.612 3.501 1.00 30.23 C ATOM 1306 CG LEU A 88 -3.897 19.246 2.814 1.00 50.25 C ATOM 1307 CD1 LEU A 88 -3.211 19.324 1.459 1.00 64.13 C ATOM 1308 CD2 LEU A 88 -3.229 18.199 3.693 1.00 42.32 C ATOM 0 H LEU A 88 -5.866 22.222 3.188 1.00 40.03 H new ATOM 0 HA LEU A 88 -5.341 19.903 4.913 1.00 3.33 H new ATOM 0 HB2 LEU A 88 -3.944 21.383 2.733 1.00 30.23 H new ATOM 0 HB3 LEU A 88 -2.922 20.735 4.001 1.00 30.23 H new ATOM 0 HG LEU A 88 -4.934 18.950 2.657 1.00 50.25 H new ATOM 0 HD11 LEU A 88 -3.230 18.343 0.984 1.00 64.13 H new ATOM 0 HD12 LEU A 88 -3.733 20.043 0.828 1.00 64.13 H new ATOM 0 HD13 LEU A 88 -2.177 19.642 1.592 1.00 64.13 H new ATOM 0 HD21 LEU A 88 -3.249 17.233 3.188 1.00 42.32 H new ATOM 0 HD22 LEU A 88 -2.195 18.489 3.882 1.00 42.32 H new ATOM 0 HD23 LEU A 88 -3.764 18.124 4.640 1.00 42.32 H new ATOM 1320 N ILE A 89 -4.571 21.150 6.894 1.00 51.14 N ATOM 1321 CA ILE A 89 -4.093 21.839 8.086 1.00 70.11 C ATOM 1322 C ILE A 89 -3.320 20.890 8.996 1.00 12.41 C ATOM 1323 O ILE A 89 -3.517 19.675 8.978 1.00 11.13 O ATOM 1324 CB ILE A 89 -5.256 22.461 8.881 1.00 40.51 C ATOM 1325 CG1 ILE A 89 -6.390 21.447 9.047 1.00 43.44 C ATOM 1326 CG2 ILE A 89 -5.759 23.718 8.186 1.00 13.15 C ATOM 1327 CD1 ILE A 89 -6.917 21.356 10.461 1.00 0.55 C ATOM 0 H ILE A 89 -4.992 20.238 7.074 1.00 51.14 H new ATOM 0 HA ILE A 89 -3.430 22.634 7.746 1.00 70.11 H new ATOM 0 HB ILE A 89 -4.894 22.737 9.871 1.00 40.51 H new ATOM 0 HG12 ILE A 89 -7.208 21.717 8.380 1.00 43.44 H new ATOM 0 HG13 ILE A 89 -6.036 20.464 8.736 1.00 43.44 H new ATOM 0 HG21 ILE A 89 -6.581 24.147 8.759 1.00 13.15 H new ATOM 0 HG22 ILE A 89 -4.949 24.444 8.115 1.00 13.15 H new ATOM 0 HG23 ILE A 89 -6.108 23.465 7.185 1.00 13.15 H new ATOM 0 HD11 ILE A 89 -7.718 20.618 10.504 1.00 0.55 H new ATOM 0 HD12 ILE A 89 -6.111 21.056 11.131 1.00 0.55 H new ATOM 0 HD13 ILE A 89 -7.302 22.328 10.769 1.00 0.55 H new ATOM 1339 N PRO A 90 -2.420 21.457 9.813 1.00 30.24 N ATOM 1340 CA PRO A 90 -1.601 20.680 10.748 1.00 2.05 C ATOM 1341 C PRO A 90 -2.422 20.100 11.895 1.00 70.11 C ATOM 1342 O PRO A 90 -2.461 20.662 12.990 1.00 63.14 O ATOM 1343 CB PRO A 90 -0.596 21.707 11.277 1.00 63.43 C ATOM 1344 CG PRO A 90 -1.279 23.021 11.119 1.00 2.23 C ATOM 1345 CD PRO A 90 -2.133 22.899 9.888 1.00 51.11 C ATOM 0 HA PRO A 90 -1.139 19.819 10.266 1.00 2.05 H new ATOM 0 HB2 PRO A 90 -0.345 21.514 12.320 1.00 63.43 H new ATOM 0 HB3 PRO A 90 0.336 21.675 10.713 1.00 63.43 H new ATOM 0 HG2 PRO A 90 -1.887 23.253 11.994 1.00 2.23 H new ATOM 0 HG3 PRO A 90 -0.554 23.827 11.012 1.00 2.23 H new ATOM 0 HD2 PRO A 90 -3.047 23.487 9.973 1.00 51.11 H new ATOM 0 HD3 PRO A 90 -1.609 23.251 8.999 1.00 51.11 H new ATOM 1353 N ARG A 91 -3.077 18.973 11.636 1.00 22.34 N ATOM 1354 CA ARG A 91 -3.898 18.317 12.647 1.00 0.21 C ATOM 1355 C ARG A 91 -3.367 16.921 12.957 1.00 70.41 C ATOM 1356 O ARG A 91 -2.695 16.303 12.130 1.00 14.40 O ATOM 1357 CB ARG A 91 -5.351 18.229 12.176 1.00 43.20 C ATOM 1358 CG ARG A 91 -6.337 18.904 13.115 1.00 54.12 C ATOM 1359 CD ARG A 91 -7.398 17.930 13.603 1.00 23.50 C ATOM 1360 NE ARG A 91 -7.062 17.364 14.907 1.00 14.01 N ATOM 1361 CZ ARG A 91 -7.064 18.066 16.035 1.00 73.10 C ATOM 1362 NH1 ARG A 91 -7.383 19.353 16.018 1.00 22.22 N ATOM 1363 NH2 ARG A 91 -6.748 17.480 17.183 1.00 42.32 N ATOM 0 H ARG A 91 -3.055 18.495 10.735 1.00 22.34 H new ATOM 0 HA ARG A 91 -3.854 18.914 13.558 1.00 0.21 H new ATOM 0 HB2 ARG A 91 -5.432 18.684 11.189 1.00 43.20 H new ATOM 0 HB3 ARG A 91 -5.626 17.180 12.067 1.00 43.20 H new ATOM 0 HG2 ARG A 91 -5.802 19.319 13.969 1.00 54.12 H new ATOM 0 HG3 ARG A 91 -6.816 19.739 12.603 1.00 54.12 H new ATOM 0 HD2 ARG A 91 -8.358 18.442 13.666 1.00 23.50 H new ATOM 0 HD3 ARG A 91 -7.513 17.125 12.877 1.00 23.50 H new ATOM 0 HE ARG A 91 -6.812 16.376 14.954 1.00 14.01 H new ATOM 0 HH11 ARG A 91 -7.628 19.806 15.138 1.00 22.22 H new ATOM 0 HH12 ARG A 91 -7.384 19.890 16.885 1.00 22.22 H new ATOM 0 HH21 ARG A 91 -6.503 16.490 17.200 1.00 42.32 H new ATOM 0 HH22 ARG A 91 -6.750 18.020 18.049 1.00 42.32 H new ATOM 1377 N ASP A 92 -3.672 16.429 14.153 1.00 53.23 N ATOM 1378 CA ASP A 92 -3.227 15.105 14.572 1.00 44.41 C ATOM 1379 C ASP A 92 -1.704 15.043 14.648 1.00 53.41 C ATOM 1380 O ASP A 92 -1.110 13.971 14.532 1.00 54.31 O ATOM 1381 CB ASP A 92 -3.745 14.039 13.605 1.00 12.54 C ATOM 1382 CG ASP A 92 -4.266 12.810 14.324 1.00 2.31 C ATOM 1383 OD1 ASP A 92 -5.424 12.841 14.791 1.00 50.52 O ATOM 1384 OD2 ASP A 92 -3.515 11.817 14.419 1.00 34.13 O ATOM 0 H ASP A 92 -4.226 16.927 14.850 1.00 53.23 H new ATOM 0 HA ASP A 92 -3.631 14.910 15.565 1.00 44.41 H new ATOM 0 HB2 ASP A 92 -4.541 14.463 12.993 1.00 12.54 H new ATOM 0 HB3 ASP A 92 -2.943 13.747 12.927 1.00 12.54 H new ATOM 1389 N ARG A 93 -1.079 16.200 14.842 1.00 30.13 N ATOM 1390 CA ARG A 93 0.374 16.277 14.931 1.00 1.34 C ATOM 1391 C ARG A 93 0.801 17.185 16.081 1.00 12.31 C ATOM 1392 O ARG A 93 1.470 16.747 17.017 1.00 43.14 O ATOM 1393 CB ARG A 93 0.960 16.793 13.616 1.00 62.23 C ATOM 1394 CG ARG A 93 2.466 16.994 13.657 1.00 22.12 C ATOM 1395 CD ARG A 93 2.967 17.711 12.413 1.00 21.31 C ATOM 1396 NE ARG A 93 4.419 17.623 12.278 1.00 74.01 N ATOM 1397 CZ ARG A 93 5.270 18.306 13.036 1.00 72.55 C ATOM 1398 NH1 ARG A 93 4.817 19.121 13.977 1.00 10.44 N ATOM 1399 NH2 ARG A 93 6.577 18.172 12.852 1.00 42.30 N ATOM 0 H ARG A 93 -1.556 17.096 14.940 1.00 30.13 H new ATOM 0 HA ARG A 93 0.755 15.274 15.122 1.00 1.34 H new ATOM 0 HB2 ARG A 93 0.718 16.090 12.819 1.00 62.23 H new ATOM 0 HB3 ARG A 93 0.483 17.739 13.362 1.00 62.23 H new ATOM 0 HG2 ARG A 93 2.733 17.570 14.543 1.00 22.12 H new ATOM 0 HG3 ARG A 93 2.961 16.027 13.745 1.00 22.12 H new ATOM 0 HD2 ARG A 93 2.494 17.280 11.531 1.00 21.31 H new ATOM 0 HD3 ARG A 93 2.670 18.759 12.454 1.00 21.31 H new ATOM 0 HE ARG A 93 4.800 17.004 11.563 1.00 74.01 H new ATOM 0 HH11 ARG A 93 3.813 19.225 14.121 1.00 10.44 H new ATOM 0 HH12 ARG A 93 5.473 19.644 14.557 1.00 10.44 H new ATOM 0 HH21 ARG A 93 6.929 17.545 12.129 1.00 42.30 H new ATOM 0 HH22 ARG A 93 7.230 18.696 13.434 1.00 42.30 H new ATOM 1413 N VAL A 94 0.409 18.453 16.004 1.00 51.22 N ATOM 1414 CA VAL A 94 0.750 19.423 17.038 1.00 51.14 C ATOM 1415 C VAL A 94 0.162 19.019 18.385 1.00 4.42 C ATOM 1416 O VAL A 94 0.885 18.867 19.369 1.00 43.11 O ATOM 1417 CB VAL A 94 0.248 20.833 16.672 1.00 34.45 C ATOM 1418 CG1 VAL A 94 0.627 21.832 17.755 1.00 73.22 C ATOM 1419 CG2 VAL A 94 0.801 21.262 15.322 1.00 73.41 C ATOM 0 H VAL A 94 -0.145 18.832 15.236 1.00 51.22 H new ATOM 0 HA VAL A 94 1.837 19.440 17.110 1.00 51.14 H new ATOM 0 HB VAL A 94 -0.839 20.806 16.601 1.00 34.45 H new ATOM 0 HG11 VAL A 94 0.264 22.822 17.480 1.00 73.22 H new ATOM 0 HG12 VAL A 94 0.177 21.531 18.701 1.00 73.22 H new ATOM 0 HG13 VAL A 94 1.711 21.859 17.861 1.00 73.22 H new ATOM 0 HG21 VAL A 94 0.436 22.260 15.080 1.00 73.41 H new ATOM 0 HG22 VAL A 94 1.890 21.274 15.362 1.00 73.41 H new ATOM 0 HG23 VAL A 94 0.474 20.560 14.555 1.00 73.41 H new ATOM 1429 N GLY A 95 -1.156 18.847 18.423 1.00 64.15 N ATOM 1430 CA GLY A 95 -1.819 18.462 19.655 1.00 63.24 C ATOM 1431 C GLY A 95 -1.772 16.966 19.895 1.00 75.12 C ATOM 1432 O GLY A 95 -1.883 16.510 21.033 1.00 72.44 O ATOM 0 H GLY A 95 -1.776 18.967 17.622 1.00 64.15 H new ATOM 0 HA2 GLY A 95 -1.349 18.976 20.493 1.00 63.24 H new ATOM 0 HA3 GLY A 95 -2.858 18.789 19.622 1.00 63.24 H new