USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 558 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: B 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 720 THR OG1 : rot 90:sc= 0.614 USER MOD Single : A 981 THR OG1 : rot 73:sc= 0.388 USER MOD Single : A 987 MET CE :methyl 158:sc= 0 (180deg=-0.102) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 994 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 699 SER OG : rot 91:sc= 1.18 USER MOD Single : B 701 MET CE :methyl 158:sc= -0.106 (180deg=-0.826) USER MOD Single : B 722 HIS : no HE2:sc= 1.11 K(o=1.1,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 966 31.785 -17.686 -1.140 1.00 1.31 N ATOM 137 CA ILE A 966 32.098 -17.293 0.219 1.00 1.21 C ATOM 138 C ILE A 966 33.540 -16.813 0.339 1.00 1.11 C ATOM 139 O ILE A 966 33.800 -15.807 0.988 1.00 1.02 O ATOM 140 CB ILE A 966 31.863 -18.450 1.200 1.00 1.38 C ATOM 141 CG1 ILE A 966 30.367 -18.765 1.261 1.00 2.24 C ATOM 142 CG2 ILE A 966 32.357 -18.050 2.603 1.00 1.78 C ATOM 143 CD1 ILE A 966 30.141 -20.049 2.055 1.00 2.64 C ATOM 0 HA ILE A 966 31.430 -16.470 0.474 1.00 1.21 H new ATOM 0 HB ILE A 966 32.411 -19.329 0.861 1.00 1.38 H new ATOM 0 HG12 ILE A 966 29.831 -17.939 1.728 1.00 2.24 H new ATOM 0 HG13 ILE A 966 29.968 -18.875 0.253 1.00 2.24 H new ATOM 0 HG21 ILE A 966 32.189 -18.874 3.297 1.00 1.78 H new ATOM 0 HG22 ILE A 966 33.422 -17.822 2.562 1.00 1.78 H new ATOM 0 HG23 ILE A 966 31.810 -17.171 2.944 1.00 1.78 H new ATOM 0 HD11 ILE A 966 29.074 -20.269 2.095 1.00 2.64 H new ATOM 0 HD12 ILE A 966 30.663 -20.874 1.570 1.00 2.64 H new ATOM 0 HD13 ILE A 966 30.524 -19.923 3.068 1.00 2.64 H new ATOM 155 N TRP A 967 34.481 -17.518 -0.277 1.00 1.16 N ATOM 156 CA TRP A 967 35.877 -17.091 -0.180 1.00 1.14 C ATOM 157 C TRP A 967 36.080 -15.774 -0.916 1.00 0.98 C ATOM 158 O TRP A 967 36.664 -14.829 -0.388 1.00 0.96 O ATOM 159 CB TRP A 967 36.813 -18.157 -0.765 1.00 1.27 C ATOM 160 CG TRP A 967 36.969 -19.287 0.206 1.00 1.45 C ATOM 161 CD1 TRP A 967 36.524 -20.548 0.009 1.00 1.58 C ATOM 162 CD2 TRP A 967 37.603 -19.278 1.519 1.00 1.55 C ATOM 163 NE1 TRP A 967 36.850 -21.316 1.114 1.00 1.74 N ATOM 164 CE2 TRP A 967 37.513 -20.577 2.072 1.00 1.73 C ATOM 165 CE3 TRP A 967 38.242 -18.279 2.276 1.00 1.53 C ATOM 166 CZ2 TRP A 967 38.038 -20.875 3.331 1.00 1.87 C ATOM 167 CZ3 TRP A 967 38.771 -18.575 3.544 1.00 1.69 C ATOM 168 CH2 TRP A 967 38.669 -19.871 4.069 1.00 1.85 C ATOM 0 H TRP A 967 34.316 -18.359 -0.831 1.00 1.16 H new ATOM 0 HA TRP A 967 36.116 -16.953 0.875 1.00 1.14 H new ATOM 0 HB2 TRP A 967 36.411 -18.529 -1.707 1.00 1.27 H new ATOM 0 HB3 TRP A 967 37.786 -17.718 -0.985 1.00 1.27 H new ATOM 0 HD1 TRP A 967 36.000 -20.899 -0.867 1.00 1.58 H new ATOM 0 HE1 TRP A 967 36.627 -22.307 1.208 1.00 1.74 H new ATOM 0 HE3 TRP A 967 38.327 -17.278 1.880 1.00 1.53 H new ATOM 0 HZ2 TRP A 967 37.957 -21.875 3.731 1.00 1.87 H new ATOM 0 HZ3 TRP A 967 39.259 -17.800 4.117 1.00 1.69 H new ATOM 0 HH2 TRP A 967 39.078 -20.093 5.044 1.00 1.85 H new ATOM 179 N TRP A 968 35.586 -15.733 -2.134 1.00 0.92 N ATOM 180 CA TRP A 968 35.694 -14.553 -2.965 1.00 0.83 C ATOM 181 C TRP A 968 34.969 -13.372 -2.320 1.00 0.74 C ATOM 182 O TRP A 968 35.450 -12.242 -2.375 1.00 0.71 O ATOM 183 CB TRP A 968 35.109 -14.896 -4.332 1.00 0.85 C ATOM 184 CG TRP A 968 36.076 -15.800 -5.050 1.00 0.96 C ATOM 185 CD1 TRP A 968 36.124 -17.150 -4.930 1.00 1.03 C ATOM 186 CD2 TRP A 968 37.113 -15.443 -6.014 1.00 1.07 C ATOM 187 NE1 TRP A 968 37.152 -17.635 -5.723 1.00 1.15 N ATOM 188 CE2 TRP A 968 37.781 -16.624 -6.420 1.00 1.18 C ATOM 189 CE3 TRP A 968 37.539 -14.220 -6.565 1.00 1.12 C ATOM 190 CZ2 TRP A 968 38.837 -16.591 -7.333 1.00 1.33 C ATOM 191 CZ3 TRP A 968 38.599 -14.185 -7.488 1.00 1.28 C ATOM 192 CH2 TRP A 968 39.246 -15.367 -7.871 1.00 1.38 C ATOM 0 H TRP A 968 35.100 -16.513 -2.575 1.00 0.92 H new ATOM 0 HA TRP A 968 36.736 -14.254 -3.077 1.00 0.83 H new ATOM 0 HB2 TRP A 968 34.143 -15.388 -4.218 1.00 0.85 H new ATOM 0 HB3 TRP A 968 34.938 -13.988 -4.910 1.00 0.85 H new ATOM 0 HD1 TRP A 968 35.468 -17.750 -4.316 1.00 1.03 H new ATOM 0 HE1 TRP A 968 37.412 -18.619 -5.784 1.00 1.15 H new ATOM 0 HE3 TRP A 968 37.048 -13.302 -6.277 1.00 1.12 H new ATOM 0 HZ2 TRP A 968 39.335 -17.505 -7.622 1.00 1.33 H new ATOM 0 HZ3 TRP A 968 38.917 -13.241 -7.905 1.00 1.28 H new ATOM 0 HH2 TRP A 968 40.059 -15.333 -8.581 1.00 1.38 H new ATOM 203 N VAL A 969 33.826 -13.631 -1.683 1.00 0.73 N ATOM 204 CA VAL A 969 33.093 -12.559 -1.018 1.00 0.68 C ATOM 205 C VAL A 969 33.962 -11.976 0.097 1.00 0.67 C ATOM 206 O VAL A 969 34.067 -10.758 0.233 1.00 0.61 O ATOM 207 CB VAL A 969 31.750 -13.071 -0.468 1.00 0.74 C ATOM 208 CG1 VAL A 969 31.164 -12.053 0.522 1.00 1.41 C ATOM 209 CG2 VAL A 969 30.750 -13.274 -1.630 1.00 0.99 C ATOM 0 H VAL A 969 33.397 -14.554 -1.615 1.00 0.73 H new ATOM 0 HA VAL A 969 32.866 -11.774 -1.740 1.00 0.68 H new ATOM 0 HB VAL A 969 31.921 -14.019 0.042 1.00 0.74 H new ATOM 0 HG11 VAL A 969 30.214 -12.424 0.906 1.00 1.41 H new ATOM 0 HG12 VAL A 969 31.858 -11.909 1.350 1.00 1.41 H new ATOM 0 HG13 VAL A 969 31.004 -11.102 0.014 1.00 1.41 H new ATOM 0 HG21 VAL A 969 29.801 -13.637 -1.234 1.00 0.99 H new ATOM 0 HG22 VAL A 969 30.591 -12.325 -2.143 1.00 0.99 H new ATOM 0 HG23 VAL A 969 31.152 -14.003 -2.333 1.00 0.99 H new ATOM 219 N LEU A 970 34.617 -12.846 0.872 1.00 0.77 N ATOM 220 CA LEU A 970 35.500 -12.362 1.932 1.00 0.82 C ATOM 221 C LEU A 970 36.629 -11.551 1.302 1.00 0.78 C ATOM 222 O LEU A 970 37.014 -10.502 1.817 1.00 0.77 O ATOM 223 CB LEU A 970 36.091 -13.529 2.768 1.00 0.98 C ATOM 224 CG LEU A 970 35.188 -13.876 3.971 1.00 1.45 C ATOM 225 CD1 LEU A 970 33.972 -14.674 3.508 1.00 1.99 C ATOM 226 CD2 LEU A 970 35.981 -14.723 4.971 1.00 1.97 C ATOM 0 H LEU A 970 34.555 -13.861 0.789 1.00 0.77 H new ATOM 0 HA LEU A 970 34.916 -11.739 2.609 1.00 0.82 H new ATOM 0 HB2 LEU A 970 36.209 -14.408 2.135 1.00 0.98 H new ATOM 0 HB3 LEU A 970 37.085 -13.256 3.124 1.00 0.98 H new ATOM 0 HG LEU A 970 34.855 -12.950 4.439 1.00 1.45 H new ATOM 0 HD11 LEU A 970 33.344 -14.912 4.367 1.00 1.99 H new ATOM 0 HD12 LEU A 970 33.400 -14.083 2.793 1.00 1.99 H new ATOM 0 HD13 LEU A 970 34.302 -15.598 3.033 1.00 1.99 H new ATOM 0 HD21 LEU A 970 35.347 -14.970 5.822 1.00 1.97 H new ATOM 0 HD22 LEU A 970 36.313 -15.642 4.487 1.00 1.97 H new ATOM 0 HD23 LEU A 970 36.849 -14.161 5.316 1.00 1.97 H new ATOM 238 N VAL A 971 37.146 -12.035 0.177 1.00 0.80 N ATOM 239 CA VAL A 971 38.221 -11.331 -0.514 1.00 0.84 C ATOM 240 C VAL A 971 37.740 -9.944 -0.923 1.00 0.75 C ATOM 241 O VAL A 971 38.430 -8.948 -0.707 1.00 0.79 O ATOM 242 CB VAL A 971 38.652 -12.121 -1.758 1.00 0.95 C ATOM 243 CG1 VAL A 971 39.618 -11.286 -2.603 1.00 1.38 C ATOM 244 CG2 VAL A 971 39.345 -13.419 -1.327 1.00 1.24 C ATOM 0 H VAL A 971 36.843 -12.900 -0.271 1.00 0.80 H new ATOM 0 HA VAL A 971 39.075 -11.235 0.156 1.00 0.84 H new ATOM 0 HB VAL A 971 37.769 -12.356 -2.352 1.00 0.95 H new ATOM 0 HG11 VAL A 971 39.917 -11.856 -3.483 1.00 1.38 H new ATOM 0 HG12 VAL A 971 39.125 -10.366 -2.917 1.00 1.38 H new ATOM 0 HG13 VAL A 971 40.500 -11.041 -2.012 1.00 1.38 H new ATOM 0 HG21 VAL A 971 39.651 -13.979 -2.211 1.00 1.24 H new ATOM 0 HG22 VAL A 971 40.223 -13.181 -0.727 1.00 1.24 H new ATOM 0 HG23 VAL A 971 38.655 -14.021 -0.737 1.00 1.24 H new ATOM 254 N GLY A 972 36.544 -9.884 -1.501 1.00 0.67 N ATOM 255 CA GLY A 972 35.979 -8.607 -1.918 1.00 0.63 C ATOM 256 C GLY A 972 35.717 -7.722 -0.705 1.00 0.57 C ATOM 257 O GLY A 972 36.004 -6.528 -0.721 1.00 0.58 O ATOM 0 H GLY A 972 35.954 -10.695 -1.689 1.00 0.67 H new ATOM 0 HA2 GLY A 972 36.663 -8.105 -2.602 1.00 0.63 H new ATOM 0 HA3 GLY A 972 35.050 -8.773 -2.463 1.00 0.63 H new ATOM 261 N VAL A 973 35.181 -8.325 0.353 1.00 0.56 N ATOM 262 CA VAL A 973 34.896 -7.588 1.577 1.00 0.56 C ATOM 263 C VAL A 973 36.194 -7.070 2.185 1.00 0.62 C ATOM 264 O VAL A 973 36.280 -5.911 2.594 1.00 0.62 O ATOM 265 CB VAL A 973 34.153 -8.498 2.574 1.00 0.65 C ATOM 266 CG1 VAL A 973 34.092 -7.816 3.952 1.00 0.88 C ATOM 267 CG2 VAL A 973 32.717 -8.805 2.063 1.00 0.75 C ATOM 0 H VAL A 973 34.937 -9.315 0.386 1.00 0.56 H new ATOM 0 HA VAL A 973 34.259 -6.735 1.345 1.00 0.56 H new ATOM 0 HB VAL A 973 34.695 -9.440 2.664 1.00 0.65 H new ATOM 0 HG11 VAL A 973 33.566 -8.462 4.655 1.00 0.88 H new ATOM 0 HG12 VAL A 973 35.104 -7.635 4.313 1.00 0.88 H new ATOM 0 HG13 VAL A 973 33.563 -6.867 3.865 1.00 0.88 H new ATOM 0 HG21 VAL A 973 32.206 -9.449 2.779 1.00 0.75 H new ATOM 0 HG22 VAL A 973 32.163 -7.873 1.953 1.00 0.75 H new ATOM 0 HG23 VAL A 973 32.774 -9.309 1.098 1.00 0.75 H new ATOM 277 N LEU A 974 37.204 -7.927 2.229 1.00 0.70 N ATOM 278 CA LEU A 974 38.492 -7.533 2.778 1.00 0.82 C ATOM 279 C LEU A 974 39.092 -6.396 1.953 1.00 0.82 C ATOM 280 O LEU A 974 39.607 -5.420 2.498 1.00 0.87 O ATOM 281 CB LEU A 974 39.443 -8.735 2.776 1.00 0.93 C ATOM 282 CG LEU A 974 40.628 -8.478 3.720 1.00 1.43 C ATOM 283 CD1 LEU A 974 40.158 -8.451 5.192 1.00 1.83 C ATOM 284 CD2 LEU A 974 41.664 -9.592 3.523 1.00 1.95 C ATOM 0 H LEU A 974 37.158 -8.890 1.895 1.00 0.70 H new ATOM 0 HA LEU A 974 38.350 -7.187 3.802 1.00 0.82 H new ATOM 0 HB2 LEU A 974 38.908 -9.632 3.089 1.00 0.93 H new ATOM 0 HB3 LEU A 974 39.807 -8.918 1.765 1.00 0.93 H new ATOM 0 HG LEU A 974 41.070 -7.509 3.488 1.00 1.43 H new ATOM 0 HD11 LEU A 974 41.012 -8.268 5.843 1.00 1.83 H new ATOM 0 HD12 LEU A 974 39.423 -7.657 5.325 1.00 1.83 H new ATOM 0 HD13 LEU A 974 39.706 -9.410 5.447 1.00 1.83 H new ATOM 0 HD21 LEU A 974 42.511 -9.422 4.187 1.00 1.95 H new ATOM 0 HD22 LEU A 974 41.210 -10.556 3.753 1.00 1.95 H new ATOM 0 HD23 LEU A 974 42.008 -9.590 2.489 1.00 1.95 H new ATOM 296 N GLY A 975 39.013 -6.530 0.632 1.00 0.80 N ATOM 297 CA GLY A 975 39.542 -5.509 -0.265 1.00 0.84 C ATOM 298 C GLY A 975 38.766 -4.204 -0.119 1.00 0.77 C ATOM 299 O GLY A 975 39.344 -3.118 -0.142 1.00 0.75 O ATOM 0 H GLY A 975 38.590 -7.331 0.162 1.00 0.80 H new ATOM 0 HA2 GLY A 975 40.596 -5.337 -0.046 1.00 0.84 H new ATOM 0 HA3 GLY A 975 39.484 -5.859 -1.296 1.00 0.84 H new ATOM 303 N GLY A 976 37.452 -4.318 0.035 1.00 0.76 N ATOM 304 CA GLY A 976 36.608 -3.140 0.188 1.00 0.71 C ATOM 305 C GLY A 976 36.971 -2.385 1.461 1.00 0.66 C ATOM 306 O GLY A 976 36.984 -1.153 1.485 1.00 0.61 O ATOM 0 H GLY A 976 36.952 -5.206 0.057 1.00 0.76 H new ATOM 0 HA2 GLY A 976 36.726 -2.486 -0.676 1.00 0.71 H new ATOM 0 HA3 GLY A 976 35.560 -3.438 0.221 1.00 0.71 H new ATOM 310 N LEU A 977 37.275 -3.135 2.516 1.00 0.69 N ATOM 311 CA LEU A 977 37.650 -2.534 3.791 1.00 0.67 C ATOM 312 C LEU A 977 38.932 -1.720 3.605 1.00 0.58 C ATOM 313 O LEU A 977 39.079 -0.618 4.142 1.00 0.54 O ATOM 314 CB LEU A 977 37.868 -3.644 4.839 1.00 0.76 C ATOM 315 CG LEU A 977 37.675 -3.087 6.267 1.00 1.46 C ATOM 316 CD1 LEU A 977 36.187 -3.130 6.647 1.00 1.95 C ATOM 317 CD2 LEU A 977 38.471 -3.937 7.268 1.00 1.99 C ATOM 0 H LEU A 977 37.269 -4.155 2.514 1.00 0.69 H new ATOM 0 HA LEU A 977 36.855 -1.874 4.139 1.00 0.67 H new ATOM 0 HB2 LEU A 977 37.168 -4.461 4.663 1.00 0.76 H new ATOM 0 HB3 LEU A 977 38.871 -4.057 4.736 1.00 0.76 H new ATOM 0 HG LEU A 977 38.031 -2.057 6.294 1.00 1.46 H new ATOM 0 HD11 LEU A 977 36.057 -2.736 7.655 1.00 1.95 H new ATOM 0 HD12 LEU A 977 35.614 -2.525 5.944 1.00 1.95 H new ATOM 0 HD13 LEU A 977 35.832 -4.160 6.612 1.00 1.95 H new ATOM 0 HD21 LEU A 977 38.332 -3.540 8.274 1.00 1.99 H new ATOM 0 HD22 LEU A 977 38.118 -4.967 7.232 1.00 1.99 H new ATOM 0 HD23 LEU A 977 39.530 -3.907 7.010 1.00 1.99 H new ATOM 329 N LEU A 978 39.852 -2.284 2.828 1.00 0.58 N ATOM 330 CA LEU A 978 41.129 -1.634 2.540 1.00 0.53 C ATOM 331 C LEU A 978 40.907 -0.317 1.792 1.00 0.46 C ATOM 332 O LEU A 978 41.577 0.682 2.053 1.00 0.42 O ATOM 333 CB LEU A 978 41.996 -2.573 1.687 1.00 0.59 C ATOM 334 CG LEU A 978 43.478 -2.147 1.743 1.00 1.27 C ATOM 335 CD1 LEU A 978 44.152 -2.696 3.010 1.00 1.84 C ATOM 336 CD2 LEU A 978 44.215 -2.693 0.512 1.00 1.76 C ATOM 0 H LEU A 978 39.737 -3.195 2.384 1.00 0.58 H new ATOM 0 HA LEU A 978 41.634 -1.417 3.481 1.00 0.53 H new ATOM 0 HB2 LEU A 978 41.893 -3.597 2.046 1.00 0.59 H new ATOM 0 HB3 LEU A 978 41.647 -2.560 0.654 1.00 0.59 H new ATOM 0 HG LEU A 978 43.524 -1.058 1.758 1.00 1.27 H new ATOM 0 HD11 LEU A 978 45.196 -2.385 3.031 1.00 1.84 H new ATOM 0 HD12 LEU A 978 43.640 -2.309 3.891 1.00 1.84 H new ATOM 0 HD13 LEU A 978 44.098 -3.785 3.008 1.00 1.84 H new ATOM 0 HD21 LEU A 978 45.262 -2.392 0.552 1.00 1.76 H new ATOM 0 HD22 LEU A 978 44.150 -3.781 0.502 1.00 1.76 H new ATOM 0 HD23 LEU A 978 43.757 -2.294 -0.393 1.00 1.76 H new ATOM 348 N LEU A 979 39.967 -0.333 0.852 1.00 0.48 N ATOM 349 CA LEU A 979 39.658 0.853 0.050 1.00 0.47 C ATOM 350 C LEU A 979 39.222 2.007 0.949 1.00 0.41 C ATOM 351 O LEU A 979 39.673 3.142 0.788 1.00 0.40 O ATOM 352 CB LEU A 979 38.524 0.505 -0.929 1.00 0.55 C ATOM 353 CG LEU A 979 38.438 1.524 -2.091 1.00 1.19 C ATOM 354 CD1 LEU A 979 37.695 0.884 -3.265 1.00 1.73 C ATOM 355 CD2 LEU A 979 37.665 2.783 -1.665 1.00 1.84 C ATOM 0 H LEU A 979 39.404 -1.153 0.625 1.00 0.48 H new ATOM 0 HA LEU A 979 40.549 1.160 -0.498 1.00 0.47 H new ATOM 0 HB2 LEU A 979 38.686 -0.494 -1.333 1.00 0.55 H new ATOM 0 HB3 LEU A 979 37.575 0.483 -0.393 1.00 0.55 H new ATOM 0 HG LEU A 979 39.453 1.804 -2.374 1.00 1.19 H new ATOM 0 HD11 LEU A 979 37.631 1.597 -4.087 1.00 1.73 H new ATOM 0 HD12 LEU A 979 38.234 -0.004 -3.596 1.00 1.73 H new ATOM 0 HD13 LEU A 979 36.690 0.603 -2.950 1.00 1.73 H new ATOM 0 HD21 LEU A 979 37.620 3.482 -2.500 1.00 1.84 H new ATOM 0 HD22 LEU A 979 36.653 2.506 -1.368 1.00 1.84 H new ATOM 0 HD23 LEU A 979 38.173 3.255 -0.824 1.00 1.84 H new ATOM 367 N LEU A 980 38.343 1.705 1.900 1.00 0.43 N ATOM 368 CA LEU A 980 37.848 2.718 2.818 1.00 0.43 C ATOM 369 C LEU A 980 38.988 3.296 3.644 1.00 0.40 C ATOM 370 O LEU A 980 39.041 4.501 3.898 1.00 0.40 O ATOM 371 CB LEU A 980 36.796 2.093 3.751 1.00 0.50 C ATOM 372 CG LEU A 980 36.284 3.128 4.761 1.00 0.62 C ATOM 373 CD1 LEU A 980 35.704 4.350 4.031 1.00 0.53 C ATOM 374 CD2 LEU A 980 35.194 2.478 5.621 1.00 1.02 C ATOM 0 H LEU A 980 37.962 0.771 2.052 1.00 0.43 H new ATOM 0 HA LEU A 980 37.395 3.524 2.241 1.00 0.43 H new ATOM 0 HB2 LEU A 980 35.963 1.709 3.162 1.00 0.50 H new ATOM 0 HB3 LEU A 980 37.230 1.245 4.280 1.00 0.50 H new ATOM 0 HG LEU A 980 37.111 3.461 5.388 1.00 0.62 H new ATOM 0 HD11 LEU A 980 35.345 5.074 4.762 1.00 0.53 H new ATOM 0 HD12 LEU A 980 36.479 4.808 3.416 1.00 0.53 H new ATOM 0 HD13 LEU A 980 34.876 4.035 3.396 1.00 0.53 H new ATOM 0 HD21 LEU A 980 34.821 3.203 6.344 1.00 1.02 H new ATOM 0 HD22 LEU A 980 34.375 2.148 4.982 1.00 1.02 H new ATOM 0 HD23 LEU A 980 35.610 1.620 6.149 1.00 1.02 H new ATOM 386 N THR A 981 39.896 2.430 4.063 1.00 0.41 N ATOM 387 CA THR A 981 41.031 2.845 4.872 1.00 0.45 C ATOM 388 C THR A 981 41.903 3.847 4.109 1.00 0.41 C ATOM 389 O THR A 981 42.374 4.828 4.683 1.00 0.45 O ATOM 390 CB THR A 981 41.870 1.616 5.254 1.00 0.52 C ATOM 391 OG1 THR A 981 41.056 0.731 6.009 1.00 0.59 O ATOM 392 CG2 THR A 981 43.095 2.026 6.108 1.00 0.59 C ATOM 0 H THR A 981 39.869 1.432 3.856 1.00 0.41 H new ATOM 0 HA THR A 981 40.656 3.328 5.774 1.00 0.45 H new ATOM 0 HB THR A 981 42.228 1.135 4.344 1.00 0.52 H new ATOM 0 HG1 THR A 981 40.412 0.291 5.415 1.00 0.59 H new ATOM 0 HG21 THR A 981 43.673 1.138 6.365 1.00 0.59 H new ATOM 0 HG22 THR A 981 43.721 2.714 5.540 1.00 0.59 H new ATOM 0 HG23 THR A 981 42.755 2.515 7.021 1.00 0.59 H new ATOM 400 N ILE A 982 42.132 3.584 2.824 1.00 0.37 N ATOM 401 CA ILE A 982 42.970 4.466 2.015 1.00 0.40 C ATOM 402 C ILE A 982 42.371 5.871 1.914 1.00 0.42 C ATOM 403 O ILE A 982 43.087 6.861 2.053 1.00 0.47 O ATOM 404 CB ILE A 982 43.136 3.877 0.606 1.00 0.44 C ATOM 405 CG1 ILE A 982 43.964 2.591 0.692 1.00 1.02 C ATOM 406 CG2 ILE A 982 43.857 4.885 -0.300 1.00 1.14 C ATOM 407 CD1 ILE A 982 43.915 1.853 -0.649 1.00 1.13 C ATOM 0 H ILE A 982 41.755 2.778 2.326 1.00 0.37 H new ATOM 0 HA ILE A 982 43.942 4.545 2.502 1.00 0.40 H new ATOM 0 HB ILE A 982 42.153 3.658 0.188 1.00 0.44 H new ATOM 0 HG12 ILE A 982 44.996 2.829 0.950 1.00 1.02 H new ATOM 0 HG13 ILE A 982 43.577 1.951 1.485 1.00 1.02 H new ATOM 0 HG21 ILE A 982 43.971 4.461 -1.298 1.00 1.14 H new ATOM 0 HG22 ILE A 982 43.272 5.803 -0.361 1.00 1.14 H new ATOM 0 HG23 ILE A 982 44.840 5.108 0.114 1.00 1.14 H new ATOM 0 HD11 ILE A 982 44.505 0.939 -0.583 1.00 1.13 H new ATOM 0 HD12 ILE A 982 42.882 1.601 -0.888 1.00 1.13 H new ATOM 0 HD13 ILE A 982 44.323 2.493 -1.432 1.00 1.13 H new ATOM 419 N LEU A 983 41.065 5.957 1.674 1.00 0.40 N ATOM 420 CA LEU A 983 40.421 7.265 1.563 1.00 0.46 C ATOM 421 C LEU A 983 40.510 8.020 2.883 1.00 0.46 C ATOM 422 O LEU A 983 40.793 9.219 2.902 1.00 0.51 O ATOM 423 CB LEU A 983 38.949 7.104 1.168 1.00 0.49 C ATOM 424 CG LEU A 983 38.841 6.626 -0.290 1.00 1.00 C ATOM 425 CD1 LEU A 983 37.387 6.241 -0.580 1.00 1.77 C ATOM 426 CD2 LEU A 983 39.287 7.742 -1.263 1.00 1.44 C ATOM 0 H LEU A 983 40.443 5.157 1.555 1.00 0.40 H new ATOM 0 HA LEU A 983 40.941 7.833 0.792 1.00 0.46 H new ATOM 0 HB2 LEU A 983 38.463 6.388 1.830 1.00 0.49 H new ATOM 0 HB3 LEU A 983 38.427 8.053 1.287 1.00 0.49 H new ATOM 0 HG LEU A 983 39.493 5.764 -0.433 1.00 1.00 H new ATOM 0 HD11 LEU A 983 37.300 5.901 -1.612 1.00 1.77 H new ATOM 0 HD12 LEU A 983 37.081 5.440 0.093 1.00 1.77 H new ATOM 0 HD13 LEU A 983 36.744 7.108 -0.428 1.00 1.77 H new ATOM 0 HD21 LEU A 983 39.203 7.385 -2.289 1.00 1.44 H new ATOM 0 HD22 LEU A 983 38.650 8.616 -1.130 1.00 1.44 H new ATOM 0 HD23 LEU A 983 40.322 8.013 -1.056 1.00 1.44 H new ATOM 438 N VAL A 984 40.276 7.313 3.981 1.00 0.43 N ATOM 439 CA VAL A 984 40.339 7.929 5.301 1.00 0.47 C ATOM 440 C VAL A 984 41.761 8.389 5.602 1.00 0.50 C ATOM 441 O VAL A 984 41.977 9.491 6.105 1.00 0.54 O ATOM 442 CB VAL A 984 39.877 6.928 6.369 1.00 0.50 C ATOM 443 CG1 VAL A 984 40.061 7.529 7.787 1.00 0.58 C ATOM 444 CG2 VAL A 984 38.399 6.586 6.126 1.00 0.52 C ATOM 0 H VAL A 984 40.043 6.320 3.985 1.00 0.43 H new ATOM 0 HA VAL A 984 39.679 8.796 5.315 1.00 0.47 H new ATOM 0 HB VAL A 984 40.479 6.022 6.302 1.00 0.50 H new ATOM 0 HG11 VAL A 984 39.729 6.808 8.534 1.00 0.58 H new ATOM 0 HG12 VAL A 984 41.113 7.762 7.950 1.00 0.58 H new ATOM 0 HG13 VAL A 984 39.470 8.441 7.875 1.00 0.58 H new ATOM 0 HG21 VAL A 984 38.061 5.875 6.880 1.00 0.52 H new ATOM 0 HG22 VAL A 984 37.800 7.494 6.190 1.00 0.52 H new ATOM 0 HG23 VAL A 984 38.286 6.145 5.135 1.00 0.52 H new ATOM 454 N LEU A 985 42.725 7.531 5.290 1.00 0.51 N ATOM 455 CA LEU A 985 44.129 7.846 5.528 1.00 0.58 C ATOM 456 C LEU A 985 44.559 9.059 4.707 1.00 0.59 C ATOM 457 O LEU A 985 45.271 9.933 5.204 1.00 0.64 O ATOM 458 CB LEU A 985 44.992 6.633 5.151 1.00 0.63 C ATOM 459 CG LEU A 985 46.483 6.933 5.374 1.00 1.21 C ATOM 460 CD1 LEU A 985 46.740 7.306 6.843 1.00 1.72 C ATOM 461 CD2 LEU A 985 47.300 5.688 5.008 1.00 1.52 C ATOM 0 H LEU A 985 42.561 6.615 4.873 1.00 0.51 H new ATOM 0 HA LEU A 985 44.262 8.082 6.584 1.00 0.58 H new ATOM 0 HB2 LEU A 985 44.697 5.771 5.749 1.00 0.63 H new ATOM 0 HB3 LEU A 985 44.822 6.370 4.107 1.00 0.63 H new ATOM 0 HG LEU A 985 46.780 7.773 4.746 1.00 1.21 H new ATOM 0 HD11 LEU A 985 47.800 7.516 6.985 1.00 1.72 H new ATOM 0 HD12 LEU A 985 46.157 8.190 7.101 1.00 1.72 H new ATOM 0 HD13 LEU A 985 46.445 6.477 7.486 1.00 1.72 H new ATOM 0 HD21 LEU A 985 48.360 5.890 5.163 1.00 1.52 H new ATOM 0 HD22 LEU A 985 46.994 4.853 5.639 1.00 1.52 H new ATOM 0 HD23 LEU A 985 47.128 5.434 3.962 1.00 1.52 H new ATOM 473 N ALA A 986 44.140 9.101 3.446 1.00 0.57 N ATOM 474 CA ALA A 986 44.509 10.205 2.567 1.00 0.63 C ATOM 475 C ALA A 986 43.962 11.536 3.076 1.00 0.63 C ATOM 476 O ALA A 986 44.681 12.533 3.110 1.00 0.68 O ATOM 477 CB ALA A 986 43.978 9.944 1.157 1.00 0.66 C ATOM 0 H ALA A 986 43.550 8.390 3.013 1.00 0.57 H new ATOM 0 HA ALA A 986 45.597 10.268 2.551 1.00 0.63 H new ATOM 0 HB1 ALA A 986 44.256 10.772 0.504 1.00 0.66 H new ATOM 0 HB2 ALA A 986 44.407 9.019 0.772 1.00 0.66 H new ATOM 0 HB3 ALA A 986 42.892 9.856 1.188 1.00 0.66 H new ATOM 483 N MET A 987 42.692 11.552 3.470 1.00 0.58 N ATOM 484 CA MET A 987 42.083 12.782 3.969 1.00 0.60 C ATOM 485 C MET A 987 42.722 13.204 5.288 1.00 0.59 C ATOM 486 O MET A 987 42.948 14.389 5.524 1.00 0.63 O ATOM 487 CB MET A 987 40.566 12.602 4.136 1.00 0.61 C ATOM 488 CG MET A 987 39.883 12.726 2.767 1.00 0.63 C ATOM 489 SD MET A 987 38.090 12.571 2.956 1.00 1.50 S ATOM 490 CE MET A 987 37.645 13.156 1.301 1.00 1.98 C ATOM 0 H MET A 987 42.073 10.742 3.455 1.00 0.58 H new ATOM 0 HA MET A 987 42.258 13.572 3.238 1.00 0.60 H new ATOM 0 HB2 MET A 987 40.351 11.628 4.575 1.00 0.61 H new ATOM 0 HB3 MET A 987 40.173 13.354 4.820 1.00 0.61 H new ATOM 0 HG2 MET A 987 40.128 13.687 2.315 1.00 0.63 H new ATOM 0 HG3 MET A 987 40.255 11.953 2.094 1.00 0.63 H new ATOM 0 HE1 MET A 987 36.650 12.793 1.042 1.00 1.98 H new ATOM 0 HE2 MET A 987 37.648 14.246 1.287 1.00 1.98 H new ATOM 0 HE3 MET A 987 38.368 12.782 0.576 1.00 1.98 H new ATOM 500 N TRP A 988 43.019 12.238 6.145 1.00 0.58 N ATOM 501 CA TRP A 988 43.640 12.548 7.427 1.00 0.61 C ATOM 502 C TRP A 988 44.975 13.259 7.201 1.00 0.65 C ATOM 503 O TRP A 988 45.335 14.175 7.939 1.00 0.68 O ATOM 504 CB TRP A 988 43.851 11.261 8.237 1.00 0.66 C ATOM 505 CG TRP A 988 44.693 11.534 9.451 1.00 0.72 C ATOM 506 CD1 TRP A 988 44.737 12.705 10.134 1.00 0.72 C ATOM 507 CD2 TRP A 988 45.607 10.630 10.139 1.00 0.86 C ATOM 508 NE1 TRP A 988 45.624 12.576 11.187 1.00 0.84 N ATOM 509 CE2 TRP A 988 46.189 11.318 11.230 1.00 0.96 C ATOM 510 CE3 TRP A 988 45.995 9.297 9.914 1.00 0.98 C ATOM 511 CZ2 TRP A 988 47.108 10.700 12.079 1.00 1.17 C ATOM 512 CZ3 TRP A 988 46.921 8.672 10.766 1.00 1.20 C ATOM 513 CH2 TRP A 988 47.482 9.375 11.842 1.00 1.30 C ATOM 0 H TRP A 988 42.844 11.247 5.981 1.00 0.58 H new ATOM 0 HA TRP A 988 42.981 13.209 7.990 1.00 0.61 H new ATOM 0 HB2 TRP A 988 42.887 10.853 8.540 1.00 0.66 H new ATOM 0 HB3 TRP A 988 44.334 10.508 7.614 1.00 0.66 H new ATOM 0 HD1 TRP A 988 44.171 13.593 9.894 1.00 0.72 H new ATOM 0 HE1 TRP A 988 45.835 13.321 11.851 1.00 0.84 H new ATOM 0 HE3 TRP A 988 45.578 8.750 9.081 1.00 0.98 H new ATOM 0 HZ2 TRP A 988 47.527 11.242 12.914 1.00 1.17 H new ATOM 0 HZ3 TRP A 988 47.202 7.644 10.591 1.00 1.20 H new ATOM 0 HH2 TRP A 988 48.202 8.893 12.486 1.00 1.30 H new ATOM 524 N LYS A 989 45.706 12.821 6.181 1.00 0.70 N ATOM 525 CA LYS A 989 47.006 13.412 5.868 1.00 0.80 C ATOM 526 C LYS A 989 46.839 14.859 5.382 1.00 0.81 C ATOM 527 O LYS A 989 47.809 15.613 5.309 1.00 0.94 O ATOM 528 CB LYS A 989 47.714 12.551 4.783 1.00 0.91 C ATOM 529 CG LYS A 989 49.048 11.954 5.297 1.00 1.04 C ATOM 530 CD LYS A 989 50.204 12.985 5.212 1.00 1.16 C ATOM 531 CE LYS A 989 50.297 13.831 6.493 1.00 1.13 C ATOM 532 NZ LYS A 989 51.644 14.465 6.562 1.00 1.29 N ATOM 0 H LYS A 989 45.424 12.063 5.559 1.00 0.70 H new ATOM 0 HA LYS A 989 47.618 13.429 6.770 1.00 0.80 H new ATOM 0 HB2 LYS A 989 47.051 11.744 4.471 1.00 0.91 H new ATOM 0 HB3 LYS A 989 47.906 13.164 3.902 1.00 0.91 H new ATOM 0 HG2 LYS A 989 48.927 11.626 6.329 1.00 1.04 H new ATOM 0 HG3 LYS A 989 49.303 11.071 4.710 1.00 1.04 H new ATOM 0 HD2 LYS A 989 51.147 12.464 5.049 1.00 1.16 H new ATOM 0 HD3 LYS A 989 50.049 13.638 4.353 1.00 1.16 H new ATOM 0 HE2 LYS A 989 49.521 14.596 6.495 1.00 1.13 H new ATOM 0 HE3 LYS A 989 50.131 13.205 7.370 1.00 1.13 H new ATOM 0 HZ1 LYS A 989 51.714 15.039 7.426 1.00 1.29 H new ATOM 0 HZ2 LYS A 989 52.375 13.726 6.577 1.00 1.29 H new ATOM 0 HZ3 LYS A 989 51.784 15.073 5.730 1.00 1.29 H new ATOM 546 N VAL A 990 45.607 15.246 5.055 1.00 0.75 N ATOM 547 CA VAL A 990 45.342 16.607 4.586 1.00 0.83 C ATOM 548 C VAL A 990 44.983 17.503 5.767 1.00 0.81 C ATOM 549 O VAL A 990 44.943 18.727 5.643 1.00 0.98 O ATOM 550 CB VAL A 990 44.192 16.602 3.570 1.00 0.89 C ATOM 551 CG1 VAL A 990 43.820 18.041 3.201 1.00 1.18 C ATOM 552 CG2 VAL A 990 44.630 15.855 2.307 1.00 1.11 C ATOM 0 H VAL A 990 44.784 14.645 5.105 1.00 0.75 H new ATOM 0 HA VAL A 990 46.240 16.993 4.103 1.00 0.83 H new ATOM 0 HB VAL A 990 43.327 16.105 4.010 1.00 0.89 H new ATOM 0 HG11 VAL A 990 43.003 18.032 2.479 1.00 1.18 H new ATOM 0 HG12 VAL A 990 43.507 18.577 4.097 1.00 1.18 H new ATOM 0 HG13 VAL A 990 44.685 18.540 2.764 1.00 1.18 H new ATOM 0 HG21 VAL A 990 43.813 15.851 1.585 1.00 1.11 H new ATOM 0 HG22 VAL A 990 45.497 16.353 1.872 1.00 1.11 H new ATOM 0 HG23 VAL A 990 44.892 14.829 2.564 1.00 1.11 H new ATOM 562 N GLY A 991 44.714 16.881 6.911 1.00 0.67 N ATOM 563 CA GLY A 991 44.348 17.628 8.107 1.00 0.71 C ATOM 564 C GLY A 991 42.899 18.079 8.010 1.00 0.74 C ATOM 565 O GLY A 991 42.426 18.891 8.807 1.00 0.85 O ATOM 0 H GLY A 991 44.742 15.869 7.034 1.00 0.67 H new ATOM 0 HA2 GLY A 991 44.486 17.006 8.992 1.00 0.71 H new ATOM 0 HA3 GLY A 991 45.001 18.493 8.220 1.00 0.71 H new ATOM 569 N PHE A 992 42.207 17.546 7.011 1.00 0.81 N ATOM 570 CA PHE A 992 40.812 17.886 6.778 1.00 1.06 C ATOM 571 C PHE A 992 39.949 17.470 7.965 1.00 1.09 C ATOM 572 O PHE A 992 39.041 18.196 8.370 1.00 1.24 O ATOM 573 CB PHE A 992 40.342 17.193 5.494 1.00 1.29 C ATOM 574 CG PHE A 992 38.854 17.371 5.246 1.00 1.68 C ATOM 575 CD1 PHE A 992 38.158 18.522 5.670 1.00 1.79 C ATOM 576 CD2 PHE A 992 38.166 16.364 4.555 1.00 2.04 C ATOM 577 CE1 PHE A 992 36.793 18.651 5.398 1.00 2.18 C ATOM 578 CE2 PHE A 992 36.802 16.498 4.290 1.00 2.48 C ATOM 579 CZ PHE A 992 36.117 17.640 4.710 1.00 2.52 C ATOM 0 H PHE A 992 42.592 16.874 6.347 1.00 0.81 H new ATOM 0 HA PHE A 992 40.714 18.966 6.665 1.00 1.06 H new ATOM 0 HB2 PHE A 992 40.898 17.592 4.646 1.00 1.29 H new ATOM 0 HB3 PHE A 992 40.572 16.129 5.554 1.00 1.29 H new ATOM 0 HD1 PHE A 992 38.679 19.303 6.204 1.00 1.79 H new ATOM 0 HD2 PHE A 992 38.693 15.481 4.226 1.00 2.04 H new ATOM 0 HE1 PHE A 992 36.260 19.533 5.720 1.00 2.18 H new ATOM 0 HE2 PHE A 992 36.276 15.718 3.760 1.00 2.48 H new ATOM 0 HZ PHE A 992 35.062 17.742 4.503 1.00 2.52 H new ATOM 589 N PHE A 993 40.248 16.299 8.528 1.00 1.05 N ATOM 590 CA PHE A 993 39.502 15.799 9.684 1.00 1.25 C ATOM 591 C PHE A 993 40.193 16.228 10.975 1.00 1.16 C ATOM 592 O PHE A 993 39.699 15.973 12.073 1.00 1.37 O ATOM 593 CB PHE A 993 39.414 14.268 9.636 1.00 1.49 C ATOM 594 CG PHE A 993 38.410 13.847 8.583 1.00 1.72 C ATOM 595 CD1 PHE A 993 37.054 14.158 8.747 1.00 2.32 C ATOM 596 CD2 PHE A 993 38.832 13.140 7.448 1.00 2.04 C ATOM 597 CE1 PHE A 993 36.124 13.770 7.776 1.00 2.58 C ATOM 598 CE2 PHE A 993 37.901 12.752 6.479 1.00 2.25 C ATOM 599 CZ PHE A 993 36.546 13.065 6.644 1.00 2.27 C ATOM 0 H PHE A 993 40.995 15.683 8.206 1.00 1.05 H new ATOM 0 HA PHE A 993 38.495 16.216 9.656 1.00 1.25 H new ATOM 0 HB2 PHE A 993 40.393 13.845 9.409 1.00 1.49 H new ATOM 0 HB3 PHE A 993 39.117 13.880 10.611 1.00 1.49 H new ATOM 0 HD1 PHE A 993 36.726 14.697 9.623 1.00 2.32 H new ATOM 0 HD2 PHE A 993 39.876 12.895 7.322 1.00 2.04 H new ATOM 0 HE1 PHE A 993 35.080 14.015 7.901 1.00 2.58 H new ATOM 0 HE2 PHE A 993 38.227 12.211 5.603 1.00 2.25 H new ATOM 0 HZ PHE A 993 35.827 12.762 5.897 1.00 2.27 H new ATOM 609 N LYS A 994 41.342 16.885 10.829 1.00 0.95 N ATOM 610 CA LYS A 994 42.117 17.361 11.978 1.00 1.06 C ATOM 611 C LYS A 994 41.913 18.868 12.163 1.00 0.97 C ATOM 612 O LYS A 994 42.089 19.643 11.220 1.00 0.99 O ATOM 613 CB LYS A 994 43.608 17.054 11.739 1.00 1.29 C ATOM 614 CG LYS A 994 44.371 16.970 13.070 1.00 1.87 C ATOM 615 CD LYS A 994 45.816 16.529 12.798 1.00 2.27 C ATOM 616 CE LYS A 994 46.598 16.448 14.113 1.00 3.05 C ATOM 617 NZ LYS A 994 47.994 16.004 13.829 1.00 3.57 N ATOM 0 H LYS A 994 41.760 17.101 9.924 1.00 0.95 H new ATOM 0 HA LYS A 994 41.780 16.853 12.882 1.00 1.06 H new ATOM 0 HB2 LYS A 994 43.707 16.113 11.198 1.00 1.29 H new ATOM 0 HB3 LYS A 994 44.047 17.830 11.112 1.00 1.29 H new ATOM 0 HG2 LYS A 994 44.362 17.939 13.570 1.00 1.87 H new ATOM 0 HG3 LYS A 994 43.882 16.262 13.739 1.00 1.87 H new ATOM 0 HD2 LYS A 994 45.821 15.558 12.302 1.00 2.27 H new ATOM 0 HD3 LYS A 994 46.299 17.235 12.122 1.00 2.27 H new ATOM 0 HE2 LYS A 994 46.606 17.421 14.605 1.00 3.05 H new ATOM 0 HE3 LYS A 994 46.114 15.750 14.795 1.00 3.05 H new ATOM 0 HZ1 LYS A 994 48.528 15.948 14.719 1.00 3.57 H new ATOM 0 HZ2 LYS A 994 47.975 15.068 13.377 1.00 3.57 H new ATOM 0 HZ3 LYS A 994 48.453 16.687 13.193 1.00 3.57 H new ATOM 631 N ARG A 995 41.549 19.279 13.388 1.00 1.11 N ATOM 632 CA ARG A 995 41.335 20.691 13.697 1.00 1.24 C ATOM 633 C ARG A 995 41.947 21.017 15.050 1.00 1.52 C ATOM 634 O ARG A 995 41.972 20.169 15.943 1.00 1.64 O ATOM 635 CB ARG A 995 39.840 21.017 13.727 1.00 1.29 C ATOM 636 CG ARG A 995 39.303 21.065 12.304 1.00 1.55 C ATOM 637 CD ARG A 995 37.855 21.518 12.342 1.00 1.67 C ATOM 638 NE ARG A 995 37.348 21.691 10.986 1.00 1.60 N ATOM 639 CZ ARG A 995 36.307 22.471 10.750 1.00 1.42 C ATOM 640 NH1 ARG A 995 35.749 23.107 11.740 1.00 1.57 N ATOM 641 NH2 ARG A 995 35.849 22.608 9.534 1.00 2.03 N ATOM 0 H ARG A 995 41.398 18.650 14.176 1.00 1.11 H new ATOM 0 HA ARG A 995 41.811 21.290 12.921 1.00 1.24 H new ATOM 0 HB2 ARG A 995 39.304 20.264 14.304 1.00 1.29 H new ATOM 0 HB3 ARG A 995 39.675 21.974 14.222 1.00 1.29 H new ATOM 0 HG2 ARG A 995 39.897 21.750 11.700 1.00 1.55 H new ATOM 0 HG3 ARG A 995 39.379 20.082 11.839 1.00 1.55 H new ATOM 0 HD2 ARG A 995 37.250 20.784 12.874 1.00 1.67 H new ATOM 0 HD3 ARG A 995 37.774 22.456 12.891 1.00 1.67 H new ATOM 0 HE ARG A 995 37.801 21.205 10.212 1.00 1.60 H new ATOM 0 HH11 ARG A 995 36.116 23.001 12.686 1.00 1.57 H new ATOM 0 HH12 ARG A 995 34.945 23.712 11.570 1.00 1.57 H new ATOM 0 HH21 ARG A 995 36.295 22.112 8.762 1.00 2.03 H new ATOM 0 HH22 ARG A 995 35.046 23.211 9.357 1.00 2.03 H new ATOM 808 N ASP B 692 28.028 -15.986 -10.432 1.00 1.63 N ATOM 809 CA ASP B 692 27.352 -14.856 -9.807 1.00 1.12 C ATOM 810 C ASP B 692 28.387 -14.150 -8.969 1.00 1.00 C ATOM 811 O ASP B 692 28.163 -13.070 -8.442 1.00 1.00 O ATOM 812 CB ASP B 692 26.167 -15.314 -8.923 1.00 1.93 C ATOM 813 CG ASP B 692 24.854 -15.320 -9.705 1.00 2.15 C ATOM 814 OD1 ASP B 692 24.800 -14.687 -10.741 1.00 1.83 O ATOM 815 OD2 ASP B 692 23.921 -15.959 -9.247 1.00 3.00 O ATOM 0 HA ASP B 692 26.932 -14.199 -10.569 1.00 1.12 H new ATOM 0 HB2 ASP B 692 26.366 -16.313 -8.536 1.00 1.93 H new ATOM 0 HB3 ASP B 692 26.076 -14.651 -8.063 1.00 1.93 H new ATOM 820 N ILE B 693 29.544 -14.787 -8.891 1.00 0.93 N ATOM 821 CA ILE B 693 30.664 -14.258 -8.164 1.00 0.87 C ATOM 822 C ILE B 693 30.986 -12.888 -8.748 1.00 0.81 C ATOM 823 O ILE B 693 31.255 -11.942 -8.017 1.00 0.76 O ATOM 824 CB ILE B 693 31.831 -15.270 -8.309 1.00 0.88 C ATOM 825 CG1 ILE B 693 32.800 -15.227 -7.093 1.00 0.97 C ATOM 826 CG2 ILE B 693 32.611 -15.006 -9.605 1.00 1.54 C ATOM 827 CD1 ILE B 693 33.484 -16.601 -6.888 1.00 1.10 C ATOM 0 H ILE B 693 29.724 -15.688 -9.335 1.00 0.93 H new ATOM 0 HA ILE B 693 30.465 -14.127 -7.100 1.00 0.87 H new ATOM 0 HB ILE B 693 31.388 -16.265 -8.345 1.00 0.88 H new ATOM 0 HG12 ILE B 693 33.557 -14.459 -7.252 1.00 0.97 H new ATOM 0 HG13 ILE B 693 32.250 -14.951 -6.193 1.00 0.97 H new ATOM 0 HG21 ILE B 693 33.426 -15.724 -9.692 1.00 1.54 H new ATOM 0 HG22 ILE B 693 31.943 -15.111 -10.460 1.00 1.54 H new ATOM 0 HG23 ILE B 693 33.019 -13.995 -9.585 1.00 1.54 H new ATOM 0 HD11 ILE B 693 34.157 -16.548 -6.032 1.00 1.10 H new ATOM 0 HD12 ILE B 693 32.725 -17.362 -6.706 1.00 1.10 H new ATOM 0 HD13 ILE B 693 34.052 -16.862 -7.781 1.00 1.10 H new ATOM 839 N LEU B 694 30.899 -12.783 -10.073 1.00 0.86 N ATOM 840 CA LEU B 694 31.134 -11.508 -10.734 1.00 0.85 C ATOM 841 C LEU B 694 30.053 -10.517 -10.315 1.00 0.81 C ATOM 842 O LEU B 694 30.343 -9.385 -9.938 1.00 0.78 O ATOM 843 CB LEU B 694 31.088 -11.688 -12.263 1.00 0.96 C ATOM 844 CG LEU B 694 32.309 -12.485 -12.754 1.00 1.44 C ATOM 845 CD1 LEU B 694 32.063 -12.947 -14.195 1.00 1.88 C ATOM 846 CD2 LEU B 694 33.577 -11.611 -12.713 1.00 1.88 C ATOM 0 H LEU B 694 30.671 -13.555 -10.699 1.00 0.86 H new ATOM 0 HA LEU B 694 32.116 -11.133 -10.446 1.00 0.85 H new ATOM 0 HB2 LEU B 694 30.172 -12.206 -12.546 1.00 0.96 H new ATOM 0 HB3 LEU B 694 31.065 -10.712 -12.748 1.00 0.96 H new ATOM 0 HG LEU B 694 32.453 -13.346 -12.101 1.00 1.44 H new ATOM 0 HD11 LEU B 694 32.925 -13.512 -14.548 1.00 1.88 H new ATOM 0 HD12 LEU B 694 31.176 -13.580 -14.228 1.00 1.88 H new ATOM 0 HD13 LEU B 694 31.912 -12.078 -14.835 1.00 1.88 H new ATOM 0 HD21 LEU B 694 34.430 -12.191 -13.064 1.00 1.88 H new ATOM 0 HD22 LEU B 694 33.441 -10.742 -13.356 1.00 1.88 H new ATOM 0 HD23 LEU B 694 33.758 -11.281 -11.690 1.00 1.88 H new ATOM 858 N VAL B 695 28.798 -10.969 -10.368 1.00 0.84 N ATOM 859 CA VAL B 695 27.666 -10.131 -9.983 1.00 0.84 C ATOM 860 C VAL B 695 27.697 -9.838 -8.488 1.00 0.77 C ATOM 861 O VAL B 695 27.561 -8.694 -8.063 1.00 0.75 O ATOM 862 CB VAL B 695 26.357 -10.847 -10.324 1.00 0.93 C ATOM 863 CG1 VAL B 695 25.170 -9.995 -9.868 1.00 1.12 C ATOM 864 CG2 VAL B 695 26.277 -11.077 -11.835 1.00 1.11 C ATOM 0 H VAL B 695 28.543 -11.908 -10.673 1.00 0.84 H new ATOM 0 HA VAL B 695 27.732 -9.191 -10.530 1.00 0.84 H new ATOM 0 HB VAL B 695 26.327 -11.808 -9.811 1.00 0.93 H new ATOM 0 HG11 VAL B 695 24.239 -10.507 -10.112 1.00 1.12 H new ATOM 0 HG12 VAL B 695 25.227 -9.839 -8.791 1.00 1.12 H new ATOM 0 HG13 VAL B 695 25.198 -9.031 -10.376 1.00 1.12 H new ATOM 0 HG21 VAL B 695 25.344 -11.587 -12.077 1.00 1.11 H new ATOM 0 HG22 VAL B 695 26.310 -10.118 -12.351 1.00 1.11 H new ATOM 0 HG23 VAL B 695 27.119 -11.690 -12.155 1.00 1.11 H new ATOM 874 N VAL B 696 27.878 -10.893 -7.704 1.00 0.76 N ATOM 875 CA VAL B 696 27.928 -10.769 -6.256 1.00 0.73 C ATOM 876 C VAL B 696 29.151 -9.968 -5.834 1.00 0.68 C ATOM 877 O VAL B 696 29.051 -9.076 -4.995 1.00 0.67 O ATOM 878 CB VAL B 696 27.948 -12.164 -5.614 1.00 0.78 C ATOM 879 CG1 VAL B 696 28.244 -12.049 -4.114 1.00 1.06 C ATOM 880 CG2 VAL B 696 26.578 -12.827 -5.812 1.00 1.08 C ATOM 0 H VAL B 696 27.993 -11.846 -8.049 1.00 0.76 H new ATOM 0 HA VAL B 696 27.039 -10.238 -5.915 1.00 0.73 H new ATOM 0 HB VAL B 696 28.726 -12.766 -6.085 1.00 0.78 H new ATOM 0 HG11 VAL B 696 28.256 -13.044 -3.668 1.00 1.06 H new ATOM 0 HG12 VAL B 696 29.215 -11.575 -3.970 1.00 1.06 H new ATOM 0 HG13 VAL B 696 27.472 -11.446 -3.636 1.00 1.06 H new ATOM 0 HG21 VAL B 696 26.585 -13.818 -5.359 1.00 1.08 H new ATOM 0 HG22 VAL B 696 25.807 -12.217 -5.340 1.00 1.08 H new ATOM 0 HG23 VAL B 696 26.368 -12.917 -6.878 1.00 1.08 H new ATOM 890 N LEU B 697 30.302 -10.268 -6.427 1.00 0.68 N ATOM 891 CA LEU B 697 31.505 -9.529 -6.089 1.00 0.68 C ATOM 892 C LEU B 697 31.286 -8.067 -6.452 1.00 0.66 C ATOM 893 O LEU B 697 31.600 -7.171 -5.673 1.00 0.67 O ATOM 894 CB LEU B 697 32.726 -10.094 -6.830 1.00 0.72 C ATOM 895 CG LEU B 697 33.996 -9.325 -6.436 1.00 0.90 C ATOM 896 CD1 LEU B 697 34.292 -9.522 -4.938 1.00 1.09 C ATOM 897 CD2 LEU B 697 35.173 -9.850 -7.266 1.00 1.21 C ATOM 0 H LEU B 697 30.424 -11.000 -7.127 1.00 0.68 H new ATOM 0 HA LEU B 697 31.704 -9.623 -5.021 1.00 0.68 H new ATOM 0 HB2 LEU B 697 32.846 -11.151 -6.593 1.00 0.72 H new ATOM 0 HB3 LEU B 697 32.570 -10.024 -7.907 1.00 0.72 H new ATOM 0 HG LEU B 697 33.850 -8.262 -6.628 1.00 0.90 H new ATOM 0 HD11 LEU B 697 35.194 -8.972 -4.670 1.00 1.09 H new ATOM 0 HD12 LEU B 697 33.453 -9.151 -4.349 1.00 1.09 H new ATOM 0 HD13 LEU B 697 34.439 -10.582 -4.732 1.00 1.09 H new ATOM 0 HD21 LEU B 697 36.080 -9.310 -6.994 1.00 1.21 H new ATOM 0 HD22 LEU B 697 35.311 -10.913 -7.070 1.00 1.21 H new ATOM 0 HD23 LEU B 697 34.966 -9.700 -8.326 1.00 1.21 H new ATOM 909 N LEU B 698 30.708 -7.835 -7.629 1.00 0.67 N ATOM 910 CA LEU B 698 30.417 -6.474 -8.058 1.00 0.69 C ATOM 911 C LEU B 698 29.415 -5.847 -7.094 1.00 0.66 C ATOM 912 O LEU B 698 29.580 -4.706 -6.665 1.00 0.67 O ATOM 913 CB LEU B 698 29.834 -6.483 -9.479 1.00 0.74 C ATOM 914 CG LEU B 698 30.963 -6.629 -10.513 1.00 1.40 C ATOM 915 CD1 LEU B 698 30.349 -6.952 -11.882 1.00 1.85 C ATOM 916 CD2 LEU B 698 31.793 -5.325 -10.599 1.00 1.95 C ATOM 0 H LEU B 698 30.436 -8.561 -8.292 1.00 0.67 H new ATOM 0 HA LEU B 698 31.338 -5.891 -8.060 1.00 0.69 H new ATOM 0 HB2 LEU B 698 29.125 -7.305 -9.584 1.00 0.74 H new ATOM 0 HB3 LEU B 698 29.282 -5.561 -9.660 1.00 0.74 H new ATOM 0 HG LEU B 698 31.628 -7.437 -10.207 1.00 1.40 H new ATOM 0 HD11 LEU B 698 31.143 -7.057 -12.621 1.00 1.85 H new ATOM 0 HD12 LEU B 698 29.787 -7.884 -11.818 1.00 1.85 H new ATOM 0 HD13 LEU B 698 29.680 -6.145 -12.180 1.00 1.85 H new ATOM 0 HD21 LEU B 698 32.587 -5.447 -11.336 1.00 1.95 H new ATOM 0 HD22 LEU B 698 31.145 -4.500 -10.897 1.00 1.95 H new ATOM 0 HD23 LEU B 698 32.232 -5.108 -9.625 1.00 1.95 H new ATOM 928 N SER B 699 28.383 -6.611 -6.742 1.00 0.66 N ATOM 929 CA SER B 699 27.369 -6.128 -5.815 1.00 0.67 C ATOM 930 C SER B 699 27.993 -5.873 -4.447 1.00 0.67 C ATOM 931 O SER B 699 27.738 -4.846 -3.818 1.00 0.68 O ATOM 932 CB SER B 699 26.239 -7.149 -5.688 1.00 0.71 C ATOM 933 OG SER B 699 25.719 -7.435 -6.979 1.00 0.90 O ATOM 0 H SER B 699 28.230 -7.560 -7.083 1.00 0.66 H new ATOM 0 HA SER B 699 26.959 -5.195 -6.200 1.00 0.67 H new ATOM 0 HB2 SER B 699 26.609 -8.062 -5.222 1.00 0.71 H new ATOM 0 HB3 SER B 699 25.451 -6.759 -5.044 1.00 0.71 H new ATOM 0 HG SER B 699 26.205 -8.192 -7.367 1.00 0.90 H new ATOM 939 N VAL B 700 28.828 -6.810 -4.004 1.00 0.68 N ATOM 940 CA VAL B 700 29.503 -6.678 -2.718 1.00 0.74 C ATOM 941 C VAL B 700 30.405 -5.449 -2.743 1.00 0.70 C ATOM 942 O VAL B 700 30.391 -4.634 -1.821 1.00 0.70 O ATOM 943 CB VAL B 700 30.340 -7.944 -2.450 1.00 0.86 C ATOM 944 CG1 VAL B 700 31.345 -7.701 -1.321 1.00 1.68 C ATOM 945 CG2 VAL B 700 29.416 -9.097 -2.043 1.00 0.98 C ATOM 0 H VAL B 700 29.052 -7.664 -4.514 1.00 0.68 H new ATOM 0 HA VAL B 700 28.766 -6.562 -1.923 1.00 0.74 H new ATOM 0 HB VAL B 700 30.879 -8.195 -3.363 1.00 0.86 H new ATOM 0 HG11 VAL B 700 31.925 -8.608 -1.149 1.00 1.68 H new ATOM 0 HG12 VAL B 700 32.016 -6.889 -1.600 1.00 1.68 H new ATOM 0 HG13 VAL B 700 30.811 -7.434 -0.409 1.00 1.68 H new ATOM 0 HG21 VAL B 700 30.011 -9.991 -1.854 1.00 0.98 H new ATOM 0 HG22 VAL B 700 28.872 -8.825 -1.138 1.00 0.98 H new ATOM 0 HG23 VAL B 700 28.707 -9.296 -2.847 1.00 0.98 H new ATOM 955 N MET B 701 31.181 -5.325 -3.813 1.00 0.71 N ATOM 956 CA MET B 701 32.087 -4.196 -3.965 1.00 0.73 C ATOM 957 C MET B 701 31.303 -2.889 -4.043 1.00 0.66 C ATOM 958 O MET B 701 31.689 -1.884 -3.448 1.00 0.67 O ATOM 959 CB MET B 701 32.923 -4.375 -5.237 1.00 0.79 C ATOM 960 CG MET B 701 33.998 -5.439 -5.005 1.00 0.89 C ATOM 961 SD MET B 701 34.859 -5.782 -6.564 1.00 0.99 S ATOM 962 CE MET B 701 35.698 -4.187 -6.735 1.00 1.05 C ATOM 0 H MET B 701 31.200 -5.991 -4.585 1.00 0.71 H new ATOM 0 HA MET B 701 32.746 -4.156 -3.098 1.00 0.73 H new ATOM 0 HB2 MET B 701 32.281 -4.669 -6.067 1.00 0.79 H new ATOM 0 HB3 MET B 701 33.388 -3.429 -5.514 1.00 0.79 H new ATOM 0 HG2 MET B 701 34.708 -5.095 -4.253 1.00 0.89 H new ATOM 0 HG3 MET B 701 33.544 -6.352 -4.620 1.00 0.89 H new ATOM 0 HE1 MET B 701 36.564 -4.300 -7.387 1.00 1.05 H new ATOM 0 HE2 MET B 701 35.011 -3.459 -7.167 1.00 1.05 H new ATOM 0 HE3 MET B 701 36.025 -3.841 -5.754 1.00 1.05 H new ATOM 972 N GLY B 702 30.201 -2.913 -4.787 1.00 0.62 N ATOM 973 CA GLY B 702 29.369 -1.727 -4.948 1.00 0.60 C ATOM 974 C GLY B 702 28.723 -1.313 -3.630 1.00 0.56 C ATOM 975 O GLY B 702 28.665 -0.127 -3.306 1.00 0.56 O ATOM 0 H GLY B 702 29.865 -3.737 -5.285 1.00 0.62 H new ATOM 0 HA2 GLY B 702 29.975 -0.906 -5.331 1.00 0.60 H new ATOM 0 HA3 GLY B 702 28.594 -1.923 -5.688 1.00 0.60 H new ATOM 979 N ALA B 703 28.232 -2.290 -2.875 1.00 0.57 N ATOM 980 CA ALA B 703 27.587 -2.001 -1.601 1.00 0.57 C ATOM 981 C ALA B 703 28.574 -1.360 -0.632 1.00 0.56 C ATOM 982 O ALA B 703 28.242 -0.406 0.069 1.00 0.54 O ATOM 983 CB ALA B 703 27.039 -3.292 -0.990 1.00 0.63 C ATOM 0 H ALA B 703 28.268 -3.279 -3.120 1.00 0.57 H new ATOM 0 HA ALA B 703 26.768 -1.305 -1.781 1.00 0.57 H new ATOM 0 HB1 ALA B 703 26.558 -3.068 -0.038 1.00 0.63 H new ATOM 0 HB2 ALA B 703 26.311 -3.735 -1.669 1.00 0.63 H new ATOM 0 HB3 ALA B 703 27.857 -3.994 -0.827 1.00 0.63 H new ATOM 989 N ILE B 704 29.789 -1.887 -0.602 1.00 0.60 N ATOM 990 CA ILE B 704 30.818 -1.359 0.281 1.00 0.63 C ATOM 991 C ILE B 704 31.192 0.066 -0.116 1.00 0.57 C ATOM 992 O ILE B 704 31.359 0.930 0.742 1.00 0.57 O ATOM 993 CB ILE B 704 32.044 -2.273 0.264 1.00 0.75 C ATOM 994 CG1 ILE B 704 31.654 -3.607 0.917 1.00 0.98 C ATOM 995 CG2 ILE B 704 33.191 -1.619 1.053 1.00 0.91 C ATOM 996 CD1 ILE B 704 32.734 -4.660 0.669 1.00 1.62 C ATOM 0 H ILE B 704 30.086 -2.676 -1.176 1.00 0.60 H new ATOM 0 HA ILE B 704 30.425 -1.328 1.297 1.00 0.63 H new ATOM 0 HB ILE B 704 32.378 -2.439 -0.760 1.00 0.75 H new ATOM 0 HG12 ILE B 704 31.514 -3.467 1.989 1.00 0.98 H new ATOM 0 HG13 ILE B 704 30.702 -3.952 0.513 1.00 0.98 H new ATOM 0 HG21 ILE B 704 34.062 -2.274 1.038 1.00 0.91 H new ATOM 0 HG22 ILE B 704 33.448 -0.663 0.597 1.00 0.91 H new ATOM 0 HG23 ILE B 704 32.877 -1.456 2.084 1.00 0.91 H new ATOM 0 HD11 ILE B 704 32.441 -5.599 1.139 1.00 1.62 H new ATOM 0 HD12 ILE B 704 32.854 -4.813 -0.404 1.00 1.62 H new ATOM 0 HD13 ILE B 704 33.678 -4.320 1.095 1.00 1.62 H new ATOM 1008 N LEU B 705 31.318 0.312 -1.415 1.00 0.57 N ATOM 1009 CA LEU B 705 31.667 1.648 -1.881 1.00 0.56 C ATOM 1010 C LEU B 705 30.601 2.636 -1.423 1.00 0.51 C ATOM 1011 O LEU B 705 30.914 3.739 -0.975 1.00 0.51 O ATOM 1012 CB LEU B 705 31.759 1.668 -3.414 1.00 0.62 C ATOM 1013 CG LEU B 705 33.095 1.067 -3.881 1.00 1.21 C ATOM 1014 CD1 LEU B 705 33.038 0.843 -5.397 1.00 1.92 C ATOM 1015 CD2 LEU B 705 34.269 2.015 -3.541 1.00 1.43 C ATOM 0 H LEU B 705 31.187 -0.381 -2.152 1.00 0.57 H new ATOM 0 HA LEU B 705 32.635 1.929 -1.465 1.00 0.56 H new ATOM 0 HB2 LEU B 705 30.930 1.103 -3.841 1.00 0.62 H new ATOM 0 HB3 LEU B 705 31.668 2.692 -3.776 1.00 0.62 H new ATOM 0 HG LEU B 705 33.257 0.119 -3.367 1.00 1.21 H new ATOM 0 HD11 LEU B 705 33.982 0.417 -5.738 1.00 1.92 H new ATOM 0 HD12 LEU B 705 32.224 0.158 -5.633 1.00 1.92 H new ATOM 0 HD13 LEU B 705 32.868 1.795 -5.899 1.00 1.92 H new ATOM 0 HD21 LEU B 705 35.205 1.571 -3.880 1.00 1.43 H new ATOM 0 HD22 LEU B 705 34.120 2.972 -4.040 1.00 1.43 H new ATOM 0 HD23 LEU B 705 34.311 2.171 -2.463 1.00 1.43 H new ATOM 1027 N LEU B 706 29.342 2.226 -1.525 1.00 0.50 N ATOM 1028 CA LEU B 706 28.240 3.079 -1.103 1.00 0.50 C ATOM 1029 C LEU B 706 28.355 3.352 0.400 1.00 0.49 C ATOM 1030 O LEU B 706 28.192 4.485 0.849 1.00 0.50 O ATOM 1031 CB LEU B 706 26.894 2.388 -1.440 1.00 0.54 C ATOM 1032 CG LEU B 706 25.916 3.384 -2.097 1.00 1.45 C ATOM 1033 CD1 LEU B 706 26.262 3.542 -3.584 1.00 1.87 C ATOM 1034 CD2 LEU B 706 24.474 2.865 -1.962 1.00 2.02 C ATOM 0 H LEU B 706 29.061 1.317 -1.893 1.00 0.50 H new ATOM 0 HA LEU B 706 28.281 4.031 -1.632 1.00 0.50 H new ATOM 0 HB2 LEU B 706 27.070 1.547 -2.111 1.00 0.54 H new ATOM 0 HB3 LEU B 706 26.451 1.982 -0.531 1.00 0.54 H new ATOM 0 HG LEU B 706 26.001 4.349 -1.598 1.00 1.45 H new ATOM 0 HD11 LEU B 706 25.570 4.246 -4.046 1.00 1.87 H new ATOM 0 HD12 LEU B 706 27.281 3.917 -3.683 1.00 1.87 H new ATOM 0 HD13 LEU B 706 26.182 2.575 -4.081 1.00 1.87 H new ATOM 0 HD21 LEU B 706 23.788 3.572 -2.428 1.00 2.02 H new ATOM 0 HD22 LEU B 706 24.388 1.897 -2.456 1.00 2.02 H new ATOM 0 HD23 LEU B 706 24.223 2.757 -0.907 1.00 2.02 H new ATOM 1046 N ILE B 707 28.652 2.303 1.166 1.00 0.49 N ATOM 1047 CA ILE B 707 28.801 2.445 2.612 1.00 0.52 C ATOM 1048 C ILE B 707 29.986 3.347 2.932 1.00 0.49 C ATOM 1049 O ILE B 707 29.901 4.214 3.799 1.00 0.51 O ATOM 1050 CB ILE B 707 29.003 1.072 3.264 1.00 0.59 C ATOM 1051 CG1 ILE B 707 27.712 0.259 3.138 1.00 0.85 C ATOM 1052 CG2 ILE B 707 29.342 1.248 4.749 1.00 0.99 C ATOM 1053 CD1 ILE B 707 27.981 -1.194 3.533 1.00 1.19 C ATOM 0 H ILE B 707 28.793 1.356 0.814 1.00 0.49 H new ATOM 0 HA ILE B 707 27.892 2.896 3.011 1.00 0.52 H new ATOM 0 HB ILE B 707 29.821 0.552 2.764 1.00 0.59 H new ATOM 0 HG12 ILE B 707 26.939 0.684 3.778 1.00 0.85 H new ATOM 0 HG13 ILE B 707 27.339 0.305 2.115 1.00 0.85 H new ATOM 0 HG21 ILE B 707 29.485 0.270 5.208 1.00 0.99 H new ATOM 0 HG22 ILE B 707 30.257 1.832 4.847 1.00 0.99 H new ATOM 0 HG23 ILE B 707 28.525 1.768 5.250 1.00 0.99 H new ATOM 0 HD11 ILE B 707 27.061 -1.772 3.443 1.00 1.19 H new ATOM 0 HD12 ILE B 707 28.740 -1.616 2.874 1.00 1.19 H new ATOM 0 HD13 ILE B 707 28.334 -1.232 4.564 1.00 1.19 H new ATOM 1065 N GLY B 708 31.094 3.135 2.226 1.00 0.47 N ATOM 1066 CA GLY B 708 32.289 3.936 2.445 1.00 0.46 C ATOM 1067 C GLY B 708 32.000 5.405 2.159 1.00 0.45 C ATOM 1068 O GLY B 708 32.354 6.286 2.943 1.00 0.47 O ATOM 0 H GLY B 708 31.186 2.421 1.504 1.00 0.47 H new ATOM 0 HA2 GLY B 708 32.630 3.819 3.474 1.00 0.46 H new ATOM 0 HA3 GLY B 708 33.094 3.584 1.800 1.00 0.46 H new ATOM 1072 N LEU B 709 31.343 5.654 1.033 1.00 0.46 N ATOM 1073 CA LEU B 709 30.995 7.013 0.635 1.00 0.50 C ATOM 1074 C LEU B 709 30.010 7.636 1.625 1.00 0.51 C ATOM 1075 O LEU B 709 30.141 8.803 1.996 1.00 0.54 O ATOM 1076 CB LEU B 709 30.377 6.981 -0.767 1.00 0.56 C ATOM 1077 CG LEU B 709 30.074 8.402 -1.264 1.00 0.96 C ATOM 1078 CD1 LEU B 709 31.378 9.207 -1.410 1.00 1.24 C ATOM 1079 CD2 LEU B 709 29.369 8.306 -2.622 1.00 1.38 C ATOM 0 H LEU B 709 31.040 4.932 0.379 1.00 0.46 H new ATOM 0 HA LEU B 709 31.899 7.622 0.629 1.00 0.50 H new ATOM 0 HB2 LEU B 709 31.060 6.487 -1.459 1.00 0.56 H new ATOM 0 HB3 LEU B 709 29.459 6.393 -0.751 1.00 0.56 H new ATOM 0 HG LEU B 709 29.434 8.912 -0.544 1.00 0.96 H new ATOM 0 HD11 LEU B 709 31.147 10.212 -1.763 1.00 1.24 H new ATOM 0 HD12 LEU B 709 31.878 9.268 -0.443 1.00 1.24 H new ATOM 0 HD13 LEU B 709 32.033 8.712 -2.127 1.00 1.24 H new ATOM 0 HD21 LEU B 709 29.147 9.308 -2.988 1.00 1.38 H new ATOM 0 HD22 LEU B 709 30.018 7.795 -3.333 1.00 1.38 H new ATOM 0 HD23 LEU B 709 28.440 7.746 -2.511 1.00 1.38 H new ATOM 1091 N ALA B 710 29.015 6.854 2.040 1.00 0.51 N ATOM 1092 CA ALA B 710 28.002 7.344 2.973 1.00 0.56 C ATOM 1093 C ALA B 710 28.615 7.712 4.322 1.00 0.54 C ATOM 1094 O ALA B 710 28.271 8.739 4.908 1.00 0.58 O ATOM 1095 CB ALA B 710 26.927 6.276 3.179 1.00 0.60 C ATOM 0 H ALA B 710 28.889 5.885 1.747 1.00 0.51 H new ATOM 0 HA ALA B 710 27.558 8.242 2.543 1.00 0.56 H new ATOM 0 HB1 ALA B 710 26.175 6.647 3.875 1.00 0.60 H new ATOM 0 HB2 ALA B 710 26.455 6.046 2.224 1.00 0.60 H new ATOM 0 HB3 ALA B 710 27.384 5.373 3.585 1.00 0.60 H new ATOM 1101 N ALA B 711 29.521 6.873 4.816 1.00 0.53 N ATOM 1102 CA ALA B 711 30.159 7.140 6.100 1.00 0.55 C ATOM 1103 C ALA B 711 30.995 8.411 6.018 1.00 0.53 C ATOM 1104 O ALA B 711 31.005 9.226 6.942 1.00 0.54 O ATOM 1105 CB ALA B 711 31.049 5.957 6.499 1.00 0.60 C ATOM 0 H ALA B 711 29.826 6.016 4.355 1.00 0.53 H new ATOM 0 HA ALA B 711 29.384 7.275 6.855 1.00 0.55 H new ATOM 0 HB1 ALA B 711 31.522 6.165 7.459 1.00 0.60 H new ATOM 0 HB2 ALA B 711 30.441 5.056 6.581 1.00 0.60 H new ATOM 0 HB3 ALA B 711 31.818 5.808 5.741 1.00 0.60 H new ATOM 1111 N LEU B 712 31.684 8.577 4.896 1.00 0.54 N ATOM 1112 CA LEU B 712 32.514 9.752 4.681 1.00 0.58 C ATOM 1113 C LEU B 712 31.636 10.999 4.653 1.00 0.55 C ATOM 1114 O LEU B 712 31.996 12.042 5.200 1.00 0.54 O ATOM 1115 CB LEU B 712 33.279 9.601 3.352 1.00 0.66 C ATOM 1116 CG LEU B 712 34.523 10.526 3.301 1.00 1.57 C ATOM 1117 CD1 LEU B 712 35.591 9.900 2.398 1.00 1.86 C ATOM 1118 CD2 LEU B 712 34.151 11.900 2.726 1.00 2.28 C ATOM 0 H LEU B 712 31.684 7.912 4.122 1.00 0.54 H new ATOM 0 HA LEU B 712 33.234 9.850 5.493 1.00 0.58 H new ATOM 0 HB2 LEU B 712 33.591 8.564 3.227 1.00 0.66 H new ATOM 0 HB3 LEU B 712 32.615 9.837 2.520 1.00 0.66 H new ATOM 0 HG LEU B 712 34.902 10.646 4.316 1.00 1.57 H new ATOM 0 HD11 LEU B 712 36.465 10.551 2.363 1.00 1.86 H new ATOM 0 HD12 LEU B 712 35.879 8.927 2.796 1.00 1.86 H new ATOM 0 HD13 LEU B 712 35.190 9.776 1.392 1.00 1.86 H new ATOM 0 HD21 LEU B 712 35.037 12.535 2.698 1.00 2.28 H new ATOM 0 HD22 LEU B 712 33.760 11.778 1.716 1.00 2.28 H new ATOM 0 HD23 LEU B 712 33.392 12.364 3.355 1.00 2.28 H new ATOM 1130 N LEU B 713 30.482 10.879 4.006 1.00 0.57 N ATOM 1131 CA LEU B 713 29.554 11.998 3.893 1.00 0.61 C ATOM 1132 C LEU B 713 29.066 12.423 5.280 1.00 0.57 C ATOM 1133 O LEU B 713 28.964 13.614 5.573 1.00 0.58 O ATOM 1134 CB LEU B 713 28.360 11.587 3.025 1.00 0.72 C ATOM 1135 CG LEU B 713 27.451 12.797 2.749 1.00 1.32 C ATOM 1136 CD1 LEU B 713 28.166 13.813 1.837 1.00 1.72 C ATOM 1137 CD2 LEU B 713 26.164 12.309 2.074 1.00 1.82 C ATOM 0 H LEU B 713 30.167 10.021 3.553 1.00 0.57 H new ATOM 0 HA LEU B 713 30.067 12.840 3.429 1.00 0.61 H new ATOM 0 HB2 LEU B 713 28.715 11.169 2.083 1.00 0.72 H new ATOM 0 HB3 LEU B 713 27.791 10.804 3.527 1.00 0.72 H new ATOM 0 HG LEU B 713 27.213 13.290 3.692 1.00 1.32 H new ATOM 0 HD11 LEU B 713 27.508 14.662 1.652 1.00 1.72 H new ATOM 0 HD12 LEU B 713 29.078 14.159 2.323 1.00 1.72 H new ATOM 0 HD13 LEU B 713 28.418 13.337 0.890 1.00 1.72 H new ATOM 0 HD21 LEU B 713 25.513 13.160 1.874 1.00 1.82 H new ATOM 0 HD22 LEU B 713 26.411 11.813 1.135 1.00 1.82 H new ATOM 0 HD23 LEU B 713 25.652 11.607 2.732 1.00 1.82 H new ATOM 1149 N ILE B 714 28.770 11.444 6.128 1.00 0.56 N ATOM 1150 CA ILE B 714 28.299 11.733 7.480 1.00 0.59 C ATOM 1151 C ILE B 714 29.376 12.481 8.264 1.00 0.53 C ATOM 1152 O ILE B 714 29.088 13.453 8.962 1.00 0.55 O ATOM 1153 CB ILE B 714 27.937 10.430 8.200 1.00 0.67 C ATOM 1154 CG1 ILE B 714 26.701 9.814 7.538 1.00 0.75 C ATOM 1155 CG2 ILE B 714 27.633 10.718 9.673 1.00 0.76 C ATOM 1156 CD1 ILE B 714 26.493 8.391 8.059 1.00 1.19 C ATOM 0 H ILE B 714 28.846 10.451 5.907 1.00 0.56 H new ATOM 0 HA ILE B 714 27.410 12.361 7.415 1.00 0.59 H new ATOM 0 HB ILE B 714 28.775 9.737 8.135 1.00 0.67 H new ATOM 0 HG12 ILE B 714 25.822 10.422 7.751 1.00 0.75 H new ATOM 0 HG13 ILE B 714 26.825 9.801 6.455 1.00 0.75 H new ATOM 0 HG21 ILE B 714 27.376 9.788 10.180 1.00 0.76 H new ATOM 0 HG22 ILE B 714 28.510 11.159 10.146 1.00 0.76 H new ATOM 0 HG23 ILE B 714 26.796 11.412 9.743 1.00 0.76 H new ATOM 0 HD11 ILE B 714 25.613 7.955 7.586 1.00 1.19 H new ATOM 0 HD12 ILE B 714 27.368 7.786 7.824 1.00 1.19 H new ATOM 0 HD13 ILE B 714 26.349 8.416 9.139 1.00 1.19 H new ATOM 1168 N TRP B 715 30.617 12.029 8.133 1.00 0.50 N ATOM 1169 CA TRP B 715 31.729 12.673 8.822 1.00 0.52 C ATOM 1170 C TRP B 715 31.798 14.138 8.389 1.00 0.47 C ATOM 1171 O TRP B 715 31.998 15.041 9.203 1.00 0.47 O ATOM 1172 CB TRP B 715 33.039 11.941 8.464 1.00 0.59 C ATOM 1173 CG TRP B 715 34.048 12.052 9.573 1.00 0.71 C ATOM 1174 CD1 TRP B 715 34.088 13.026 10.516 1.00 0.71 C ATOM 1175 CD2 TRP B 715 35.165 11.162 9.862 1.00 0.87 C ATOM 1176 NE1 TRP B 715 35.159 12.786 11.359 1.00 0.87 N ATOM 1177 CE2 TRP B 715 35.853 11.651 10.996 1.00 0.97 C ATOM 1178 CE3 TRP B 715 35.644 9.989 9.250 1.00 0.96 C ATOM 1179 CZ2 TRP B 715 36.974 10.997 11.509 1.00 1.15 C ATOM 1180 CZ3 TRP B 715 36.772 9.329 9.763 1.00 1.14 C ATOM 1181 CH2 TRP B 715 37.437 9.833 10.889 1.00 1.23 C ATOM 0 H TRP B 715 30.878 11.226 7.561 1.00 0.50 H new ATOM 0 HA TRP B 715 31.585 12.627 9.901 1.00 0.52 H new ATOM 0 HB2 TRP B 715 32.828 10.890 8.265 1.00 0.59 H new ATOM 0 HB3 TRP B 715 33.454 12.362 7.548 1.00 0.59 H new ATOM 0 HD1 TRP B 715 33.398 13.853 10.596 1.00 0.71 H new ATOM 0 HE1 TRP B 715 35.405 13.377 12.153 1.00 0.87 H new ATOM 0 HE3 TRP B 715 35.141 9.594 8.380 1.00 0.96 H new ATOM 0 HZ2 TRP B 715 37.480 11.388 12.379 1.00 1.15 H new ATOM 0 HZ3 TRP B 715 37.129 8.428 9.287 1.00 1.14 H new ATOM 0 HH2 TRP B 715 38.306 9.323 11.277 1.00 1.23 H new ATOM 1192 N LYS B 716 31.608 14.357 7.093 1.00 0.49 N ATOM 1193 CA LYS B 716 31.627 15.702 6.530 1.00 0.54 C ATOM 1194 C LYS B 716 30.525 16.542 7.179 1.00 0.52 C ATOM 1195 O LYS B 716 30.739 17.692 7.556 1.00 0.53 O ATOM 1196 CB LYS B 716 31.401 15.598 4.988 1.00 0.68 C ATOM 1197 CG LYS B 716 32.602 16.145 4.168 1.00 0.88 C ATOM 1198 CD LYS B 716 32.397 17.630 3.809 1.00 1.00 C ATOM 1199 CE LYS B 716 32.416 18.501 5.066 1.00 1.02 C ATOM 1200 NZ LYS B 716 32.714 19.911 4.689 1.00 1.28 N ATOM 0 H LYS B 716 31.439 13.618 6.411 1.00 0.49 H new ATOM 0 HA LYS B 716 32.586 16.183 6.723 1.00 0.54 H new ATOM 0 HB2 LYS B 716 31.228 14.556 4.720 1.00 0.68 H new ATOM 0 HB3 LYS B 716 30.501 16.150 4.719 1.00 0.68 H new ATOM 0 HG2 LYS B 716 33.521 16.030 4.742 1.00 0.88 H new ATOM 0 HG3 LYS B 716 32.721 15.560 3.256 1.00 0.88 H new ATOM 0 HD2 LYS B 716 33.181 17.955 3.124 1.00 1.00 H new ATOM 0 HD3 LYS B 716 31.447 17.755 3.289 1.00 1.00 H new ATOM 0 HE2 LYS B 716 31.454 18.445 5.575 1.00 1.02 H new ATOM 0 HE3 LYS B 716 33.168 18.134 5.765 1.00 1.02 H new ATOM 0 HZ1 LYS B 716 32.727 20.504 5.544 1.00 1.28 H new ATOM 0 HZ2 LYS B 716 33.642 19.957 4.222 1.00 1.28 H new ATOM 0 HZ3 LYS B 716 31.981 20.259 4.038 1.00 1.28 H new ATOM 1214 N LEU B 717 29.346 15.954 7.301 1.00 0.55 N ATOM 1215 CA LEU B 717 28.219 16.661 7.884 1.00 0.64 C ATOM 1216 C LEU B 717 28.537 17.060 9.328 1.00 0.61 C ATOM 1217 O LEU B 717 28.209 18.164 9.754 1.00 0.69 O ATOM 1218 CB LEU B 717 26.962 15.767 7.825 1.00 0.75 C ATOM 1219 CG LEU B 717 25.695 16.628 7.638 1.00 1.41 C ATOM 1220 CD1 LEU B 717 25.659 17.233 6.212 1.00 1.89 C ATOM 1221 CD2 LEU B 717 24.452 15.753 7.863 1.00 1.93 C ATOM 0 H LEU B 717 29.146 14.998 7.007 1.00 0.55 H new ATOM 0 HA LEU B 717 28.028 17.571 7.315 1.00 0.64 H new ATOM 0 HB2 LEU B 717 27.051 15.057 7.002 1.00 0.75 H new ATOM 0 HB3 LEU B 717 26.880 15.183 8.742 1.00 0.75 H new ATOM 0 HG LEU B 717 25.707 17.444 8.361 1.00 1.41 H new ATOM 0 HD11 LEU B 717 24.759 17.837 6.096 1.00 1.89 H new ATOM 0 HD12 LEU B 717 26.539 17.858 6.060 1.00 1.89 H new ATOM 0 HD13 LEU B 717 25.654 16.429 5.476 1.00 1.89 H new ATOM 0 HD21 LEU B 717 23.554 16.356 7.732 1.00 1.93 H new ATOM 0 HD22 LEU B 717 24.448 14.935 7.143 1.00 1.93 H new ATOM 0 HD23 LEU B 717 24.472 15.346 8.874 1.00 1.93 H new ATOM 1233 N LEU B 718 29.183 16.165 10.073 1.00 0.58 N ATOM 1234 CA LEU B 718 29.535 16.465 11.460 1.00 0.68 C ATOM 1235 C LEU B 718 30.474 17.668 11.525 1.00 0.65 C ATOM 1236 O LEU B 718 30.289 18.553 12.354 1.00 0.76 O ATOM 1237 CB LEU B 718 30.216 15.251 12.115 1.00 0.76 C ATOM 1238 CG LEU B 718 29.170 14.205 12.541 1.00 1.34 C ATOM 1239 CD1 LEU B 718 29.873 12.866 12.789 1.00 1.74 C ATOM 1240 CD2 LEU B 718 28.460 14.644 13.839 1.00 1.98 C ATOM 0 H LEU B 718 29.469 15.242 9.747 1.00 0.58 H new ATOM 0 HA LEU B 718 28.617 16.697 12.000 1.00 0.68 H new ATOM 0 HB2 LEU B 718 30.922 14.803 11.416 1.00 0.76 H new ATOM 0 HB3 LEU B 718 30.789 15.574 12.984 1.00 0.76 H new ATOM 0 HG LEU B 718 28.429 14.106 11.748 1.00 1.34 H new ATOM 0 HD11 LEU B 718 29.138 12.120 13.091 1.00 1.74 H new ATOM 0 HD12 LEU B 718 30.367 12.539 11.874 1.00 1.74 H new ATOM 0 HD13 LEU B 718 30.615 12.985 13.579 1.00 1.74 H new ATOM 0 HD21 LEU B 718 27.724 13.892 14.124 1.00 1.98 H new ATOM 0 HD22 LEU B 718 29.195 14.753 14.637 1.00 1.98 H new ATOM 0 HD23 LEU B 718 27.958 15.598 13.675 1.00 1.98 H new ATOM 1252 N ILE B 719 31.468 17.709 10.647 1.00 0.55 N ATOM 1253 CA ILE B 719 32.399 18.831 10.640 1.00 0.60 C ATOM 1254 C ILE B 719 31.664 20.092 10.176 1.00 0.67 C ATOM 1255 O ILE B 719 31.860 21.174 10.726 1.00 0.78 O ATOM 1256 CB ILE B 719 33.646 18.508 9.753 1.00 0.63 C ATOM 1257 CG1 ILE B 719 34.893 18.338 10.650 1.00 1.13 C ATOM 1258 CG2 ILE B 719 33.914 19.625 8.724 1.00 1.27 C ATOM 1259 CD1 ILE B 719 36.111 17.932 9.815 1.00 1.18 C ATOM 0 H ILE B 719 31.649 16.994 9.943 1.00 0.55 H new ATOM 0 HA ILE B 719 32.773 19.009 11.648 1.00 0.60 H new ATOM 0 HB ILE B 719 33.440 17.584 9.212 1.00 0.63 H new ATOM 0 HG12 ILE B 719 35.100 19.271 11.174 1.00 1.13 H new ATOM 0 HG13 ILE B 719 34.699 17.582 11.411 1.00 1.13 H new ATOM 0 HG21 ILE B 719 34.788 19.366 8.126 1.00 1.27 H new ATOM 0 HG22 ILE B 719 33.047 19.735 8.072 1.00 1.27 H new ATOM 0 HG23 ILE B 719 34.097 20.564 9.246 1.00 1.27 H new ATOM 0 HD11 ILE B 719 36.977 17.818 10.467 1.00 1.18 H new ATOM 0 HD12 ILE B 719 35.908 16.987 9.312 1.00 1.18 H new ATOM 0 HD13 ILE B 719 36.315 18.702 9.071 1.00 1.18 H new ATOM 1271 N THR B 720 30.819 19.940 9.158 1.00 0.67 N ATOM 1272 CA THR B 720 30.070 21.078 8.642 1.00 0.81 C ATOM 1273 C THR B 720 29.215 21.678 9.747 1.00 0.91 C ATOM 1274 O THR B 720 29.174 22.894 9.918 1.00 1.04 O ATOM 1275 CB THR B 720 29.160 20.642 7.486 1.00 0.89 C ATOM 1276 OG1 THR B 720 29.911 19.882 6.552 1.00 0.87 O ATOM 1277 CG2 THR B 720 28.584 21.880 6.793 1.00 1.10 C ATOM 0 H THR B 720 30.639 19.056 8.683 1.00 0.67 H new ATOM 0 HA THR B 720 30.780 21.821 8.279 1.00 0.81 H new ATOM 0 HB THR B 720 28.345 20.033 7.877 1.00 0.89 H new ATOM 0 HG1 THR B 720 29.874 18.934 6.797 1.00 0.87 H new ATOM 0 HG21 THR B 720 27.938 21.570 5.972 1.00 1.10 H new ATOM 0 HG22 THR B 720 28.005 22.462 7.510 1.00 1.10 H new ATOM 0 HG23 THR B 720 29.398 22.491 6.403 1.00 1.10 H new ATOM 1285 N ILE B 721 28.544 20.826 10.510 1.00 0.91 N ATOM 1286 CA ILE B 721 27.708 21.316 11.591 1.00 1.09 C ATOM 1287 C ILE B 721 28.563 22.040 12.627 1.00 1.16 C ATOM 1288 O ILE B 721 28.228 23.141 13.040 1.00 1.32 O ATOM 1289 CB ILE B 721 26.955 20.149 12.241 1.00 1.18 C ATOM 1290 CG1 ILE B 721 25.911 19.614 11.256 1.00 1.38 C ATOM 1291 CG2 ILE B 721 26.251 20.622 13.516 1.00 1.52 C ATOM 1292 CD1 ILE B 721 25.372 18.268 11.749 1.00 1.83 C ATOM 0 H ILE B 721 28.562 19.812 10.402 1.00 0.91 H new ATOM 0 HA ILE B 721 26.980 22.020 11.187 1.00 1.09 H new ATOM 0 HB ILE B 721 27.665 19.362 12.497 1.00 1.18 H new ATOM 0 HG12 ILE B 721 25.094 20.328 11.155 1.00 1.38 H new ATOM 0 HG13 ILE B 721 26.356 19.498 10.268 1.00 1.38 H new ATOM 0 HG21 ILE B 721 25.719 19.786 13.970 1.00 1.52 H new ATOM 0 HG22 ILE B 721 26.990 21.006 14.219 1.00 1.52 H new ATOM 0 HG23 ILE B 721 25.541 21.412 13.268 1.00 1.52 H new ATOM 0 HD11 ILE B 721 24.630 17.893 11.044 1.00 1.83 H new ATOM 0 HD12 ILE B 721 26.192 17.554 11.827 1.00 1.83 H new ATOM 0 HD13 ILE B 721 24.910 18.398 12.728 1.00 1.83 H new ATOM 1304 N HIS B 722 29.681 21.438 13.021 1.00 1.11 N ATOM 1305 CA HIS B 722 30.563 22.070 13.999 1.00 1.25 C ATOM 1306 C HIS B 722 31.159 23.356 13.422 1.00 1.28 C ATOM 1307 O HIS B 722 31.239 24.374 14.109 1.00 1.45 O ATOM 1308 CB HIS B 722 31.690 21.105 14.401 1.00 1.28 C ATOM 1309 CG HIS B 722 31.165 20.067 15.364 1.00 1.25 C ATOM 1310 ND1 HIS B 722 30.536 18.909 14.936 1.00 1.45 N ATOM 1311 CD2 HIS B 722 31.184 19.995 16.737 1.00 1.59 C ATOM 1312 CE1 HIS B 722 30.203 18.197 16.030 1.00 2.09 C ATOM 1313 NE2 HIS B 722 30.573 18.815 17.154 1.00 2.15 N ATOM 0 H HIS B 722 29.995 20.528 12.685 1.00 1.11 H new ATOM 0 HA HIS B 722 29.978 22.318 14.884 1.00 1.25 H new ATOM 0 HB2 HIS B 722 32.096 20.618 13.514 1.00 1.28 H new ATOM 0 HB3 HIS B 722 32.507 21.660 14.862 1.00 1.28 H new ATOM 0 HD1 HIS B 722 30.357 18.644 13.967 1.00 1.45 H new ATOM 0 HD2 HIS B 722 31.609 20.741 17.393 1.00 1.59 H new ATOM 0 HE1 HIS B 722 29.698 17.243 16.001 1.00 2.09 H new ATOM 1321 N ASP B 723 31.572 23.305 12.157 1.00 1.18 N ATOM 1322 CA ASP B 723 32.150 24.477 11.502 1.00 1.32 C ATOM 1323 C ASP B 723 31.086 25.566 11.338 1.00 1.44 C ATOM 1324 O ASP B 723 31.363 26.753 11.496 1.00 1.63 O ATOM 1325 CB ASP B 723 32.721 24.073 10.135 1.00 1.30 C ATOM 1326 CG ASP B 723 33.817 25.034 9.691 1.00 1.36 C ATOM 1327 OD1 ASP B 723 34.411 25.679 10.543 1.00 1.80 O ATOM 1328 OD2 ASP B 723 34.072 25.093 8.500 1.00 1.86 O ATOM 0 H ASP B 723 31.518 22.473 11.570 1.00 1.18 H new ATOM 0 HA ASP B 723 32.956 24.874 12.119 1.00 1.32 H new ATOM 0 HB2 ASP B 723 33.121 23.061 10.190 1.00 1.30 H new ATOM 0 HB3 ASP B 723 31.922 24.060 9.393 1.00 1.30 H new