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 Single : A 981 THR OG1 : rot 76:sc= 0.578 USER MOD Single : A 987 MET CE :methyl -112:sc= -0.988 (180deg=-4.62!) 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 77:sc= 1.24 USER MOD Single : B 701 MET CE :methyl 155:sc= -0.114 (180deg=-0.867) USER MOD Single : B 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 720 THR OG1 : rot 92:sc= 1.27 USER MOD Single : B 722 HIS : no HE2:sc= 1.15 K(o=1.2,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 966 32.026 -18.435 -0.877 1.00 1.00 N ATOM 137 CA ILE A 966 32.331 -17.718 0.357 1.00 1.00 C ATOM 138 C ILE A 966 33.674 -16.998 0.266 1.00 1.00 C ATOM 139 O ILE A 966 33.799 -15.850 0.688 1.00 1.00 O ATOM 140 CB ILE A 966 32.356 -18.696 1.532 1.00 1.00 C ATOM 141 CG1 ILE A 966 30.940 -19.219 1.787 1.00 1.00 C ATOM 142 CG2 ILE A 966 32.865 -17.977 2.784 1.00 1.00 C ATOM 143 CD1 ILE A 966 30.996 -20.395 2.765 1.00 1.00 C ATOM 0 HA ILE A 966 31.552 -16.971 0.512 1.00 1.00 H new ATOM 0 HB ILE A 966 33.017 -19.530 1.297 1.00 1.00 H new ATOM 0 HG12 ILE A 966 30.315 -18.424 2.194 1.00 1.00 H new ATOM 0 HG13 ILE A 966 30.483 -19.534 0.849 1.00 1.00 H new ATOM 0 HG21 ILE A 966 32.883 -18.674 3.622 1.00 1.00 H new ATOM 0 HG22 ILE A 966 33.872 -17.601 2.603 1.00 1.00 H new ATOM 0 HG23 ILE A 966 32.203 -17.144 3.019 1.00 1.00 H new ATOM 0 HD11 ILE A 966 29.987 -20.766 2.946 1.00 1.00 H new ATOM 0 HD12 ILE A 966 31.606 -21.193 2.340 1.00 1.00 H new ATOM 0 HD13 ILE A 966 31.435 -20.065 3.706 1.00 1.00 H new ATOM 155 N TRP A 967 34.679 -17.675 -0.280 1.00 1.00 N ATOM 156 CA TRP A 967 36.003 -17.076 -0.406 1.00 1.00 C ATOM 157 C TRP A 967 35.962 -15.839 -1.299 1.00 1.00 C ATOM 158 O TRP A 967 36.589 -14.824 -0.992 1.00 1.00 O ATOM 159 CB TRP A 967 36.985 -18.098 -0.979 1.00 1.00 C ATOM 160 CG TRP A 967 37.268 -19.144 0.052 1.00 1.00 C ATOM 161 CD1 TRP A 967 36.711 -20.377 0.084 1.00 1.00 C ATOM 162 CD2 TRP A 967 38.168 -19.072 1.197 1.00 1.00 C ATOM 163 NE1 TRP A 967 37.210 -21.065 1.176 1.00 1.00 N ATOM 164 CE2 TRP A 967 38.112 -20.303 1.893 1.00 1.00 C ATOM 165 CE3 TRP A 967 39.019 -18.069 1.694 1.00 1.00 C ATOM 166 CZ2 TRP A 967 38.871 -20.530 3.041 1.00 1.00 C ATOM 167 CZ3 TRP A 967 39.785 -18.293 2.849 1.00 1.00 C ATOM 168 CH2 TRP A 967 39.712 -19.522 3.521 1.00 1.00 C ATOM 0 H TRP A 967 34.604 -18.627 -0.638 1.00 1.00 H new ATOM 0 HA TRP A 967 36.335 -16.771 0.586 1.00 1.00 H new ATOM 0 HB2 TRP A 967 36.568 -18.558 -1.875 1.00 1.00 H new ATOM 0 HB3 TRP A 967 37.910 -17.604 -1.276 1.00 1.00 H new ATOM 0 HD1 TRP A 967 35.994 -20.761 -0.627 1.00 1.00 H new ATOM 0 HE1 TRP A 967 36.944 -22.019 1.422 1.00 1.00 H new ATOM 0 HE3 TRP A 967 39.084 -17.119 1.184 1.00 1.00 H new ATOM 0 HZ2 TRP A 967 38.809 -21.478 3.555 1.00 1.00 H new ATOM 0 HZ3 TRP A 967 40.434 -17.515 3.222 1.00 1.00 H new ATOM 0 HH2 TRP A 967 40.305 -19.689 4.408 1.00 1.00 H new ATOM 179 N TRP A 968 35.221 -15.923 -2.399 1.00 1.00 N ATOM 180 CA TRP A 968 35.113 -14.793 -3.317 1.00 1.00 C ATOM 181 C TRP A 968 34.465 -13.597 -2.624 1.00 1.00 C ATOM 182 O TRP A 968 34.888 -12.456 -2.809 1.00 1.00 O ATOM 183 CB TRP A 968 34.294 -15.192 -4.544 1.00 1.00 C ATOM 184 CG TRP A 968 35.087 -16.144 -5.381 1.00 1.00 C ATOM 185 CD1 TRP A 968 34.908 -17.484 -5.418 1.00 1.00 C ATOM 186 CD2 TRP A 968 36.181 -15.853 -6.301 1.00 1.00 C ATOM 187 NE1 TRP A 968 35.820 -18.034 -6.302 1.00 1.00 N ATOM 188 CE2 TRP A 968 36.625 -17.068 -6.872 1.00 1.00 C ATOM 189 CE3 TRP A 968 36.821 -14.663 -6.691 1.00 1.00 C ATOM 190 CZ2 TRP A 968 37.669 -17.103 -7.797 1.00 1.00 C ATOM 191 CZ3 TRP A 968 37.872 -14.694 -7.622 1.00 1.00 C ATOM 192 CH2 TRP A 968 38.295 -15.912 -8.174 1.00 1.00 C ATOM 0 H TRP A 968 34.692 -16.750 -2.675 1.00 1.00 H new ATOM 0 HA TRP A 968 36.116 -14.508 -3.634 1.00 1.00 H new ATOM 0 HB2 TRP A 968 33.357 -15.656 -4.235 1.00 1.00 H new ATOM 0 HB3 TRP A 968 34.035 -14.307 -5.126 1.00 1.00 H new ATOM 0 HD1 TRP A 968 34.173 -18.035 -4.850 1.00 1.00 H new ATOM 0 HE1 TRP A 968 35.889 -19.031 -6.507 1.00 1.00 H new ATOM 0 HE3 TRP A 968 36.502 -13.720 -6.272 1.00 1.00 H new ATOM 0 HZ2 TRP A 968 37.991 -18.044 -8.219 1.00 1.00 H new ATOM 0 HZ3 TRP A 968 38.357 -13.775 -7.915 1.00 1.00 H new ATOM 0 HH2 TRP A 968 39.104 -15.929 -8.890 1.00 1.00 H new ATOM 203 N VAL A 969 33.440 -13.870 -1.823 1.00 1.00 N ATOM 204 CA VAL A 969 32.742 -12.812 -1.098 1.00 1.00 C ATOM 205 C VAL A 969 33.671 -12.140 -0.093 1.00 1.00 C ATOM 206 O VAL A 969 33.690 -10.918 0.027 1.00 1.00 O ATOM 207 CB VAL A 969 31.524 -13.384 -0.372 1.00 1.00 C ATOM 208 CG1 VAL A 969 30.949 -12.324 0.570 1.00 1.00 C ATOM 209 CG2 VAL A 969 30.459 -13.773 -1.400 1.00 1.00 C ATOM 0 H VAL A 969 33.075 -14.808 -1.659 1.00 1.00 H new ATOM 0 HA VAL A 969 32.412 -12.066 -1.821 1.00 1.00 H new ATOM 0 HB VAL A 969 31.821 -14.262 0.202 1.00 1.00 H new ATOM 0 HG11 VAL A 969 30.081 -12.730 1.088 1.00 1.00 H new ATOM 0 HG12 VAL A 969 31.706 -12.037 1.300 1.00 1.00 H new ATOM 0 HG13 VAL A 969 30.651 -11.448 -0.006 1.00 1.00 H new ATOM 0 HG21 VAL A 969 29.589 -14.181 -0.886 1.00 1.00 H new ATOM 0 HG22 VAL A 969 30.164 -12.892 -1.969 1.00 1.00 H new ATOM 0 HG23 VAL A 969 30.865 -14.524 -2.078 1.00 1.00 H new ATOM 219 N LEU A 970 34.434 -12.950 0.632 1.00 1.00 N ATOM 220 CA LEU A 970 35.355 -12.424 1.636 1.00 1.00 C ATOM 221 C LEU A 970 36.405 -11.532 0.983 1.00 1.00 C ATOM 222 O LEU A 970 36.752 -10.479 1.516 1.00 1.00 O ATOM 223 CB LEU A 970 36.047 -13.578 2.366 1.00 1.00 C ATOM 224 CG LEU A 970 35.030 -14.319 3.243 1.00 1.00 C ATOM 225 CD1 LEU A 970 35.669 -15.594 3.794 1.00 1.00 C ATOM 226 CD2 LEU A 970 34.580 -13.429 4.411 1.00 1.00 C ATOM 0 H LEU A 970 34.435 -13.966 0.546 1.00 1.00 H new ATOM 0 HA LEU A 970 34.784 -11.832 2.351 1.00 1.00 H new ATOM 0 HB2 LEU A 970 36.488 -14.265 1.644 1.00 1.00 H new ATOM 0 HB3 LEU A 970 36.862 -13.196 2.981 1.00 1.00 H new ATOM 0 HG LEU A 970 34.160 -14.571 2.637 1.00 1.00 H new ATOM 0 HD11 LEU A 970 34.948 -16.122 4.418 1.00 1.00 H new ATOM 0 HD12 LEU A 970 35.972 -16.236 2.967 1.00 1.00 H new ATOM 0 HD13 LEU A 970 36.543 -15.334 4.391 1.00 1.00 H new ATOM 0 HD21 LEU A 970 33.859 -13.970 5.023 1.00 1.00 H new ATOM 0 HD22 LEU A 970 35.444 -13.162 5.019 1.00 1.00 H new ATOM 0 HD23 LEU A 970 34.117 -12.523 4.021 1.00 1.00 H new ATOM 238 N VAL A 971 36.904 -11.957 -0.170 1.00 1.00 N ATOM 239 CA VAL A 971 37.913 -11.181 -0.881 1.00 1.00 C ATOM 240 C VAL A 971 37.355 -9.817 -1.275 1.00 1.00 C ATOM 241 O VAL A 971 38.019 -8.794 -1.106 1.00 1.00 O ATOM 242 CB VAL A 971 38.362 -11.932 -2.134 1.00 1.00 C ATOM 243 CG1 VAL A 971 39.260 -11.026 -2.979 1.00 1.00 C ATOM 244 CG2 VAL A 971 39.144 -13.183 -1.724 1.00 1.00 C ATOM 0 H VAL A 971 36.631 -12.826 -0.630 1.00 1.00 H new ATOM 0 HA VAL A 971 38.768 -11.036 -0.220 1.00 1.00 H new ATOM 0 HB VAL A 971 37.488 -12.222 -2.716 1.00 1.00 H new ATOM 0 HG11 VAL A 971 39.580 -11.562 -3.873 1.00 1.00 H new ATOM 0 HG12 VAL A 971 38.706 -10.134 -3.270 1.00 1.00 H new ATOM 0 HG13 VAL A 971 40.135 -10.736 -2.397 1.00 1.00 H new ATOM 0 HG21 VAL A 971 39.465 -13.720 -2.616 1.00 1.00 H new ATOM 0 HG22 VAL A 971 40.018 -12.891 -1.142 1.00 1.00 H new ATOM 0 HG23 VAL A 971 38.506 -13.830 -1.121 1.00 1.00 H new ATOM 254 N GLY A 972 36.133 -9.805 -1.800 1.00 1.00 N ATOM 255 CA GLY A 972 35.503 -8.555 -2.213 1.00 1.00 C ATOM 256 C GLY A 972 35.311 -7.616 -1.026 1.00 1.00 C ATOM 257 O GLY A 972 35.541 -6.412 -1.133 1.00 1.00 O ATOM 0 H GLY A 972 35.564 -10.638 -1.949 1.00 1.00 H new ATOM 0 HA2 GLY A 972 36.117 -8.068 -2.970 1.00 1.00 H new ATOM 0 HA3 GLY A 972 34.538 -8.766 -2.673 1.00 1.00 H new ATOM 261 N VAL A 973 34.898 -8.174 0.109 1.00 1.00 N ATOM 262 CA VAL A 973 34.689 -7.369 1.309 1.00 1.00 C ATOM 263 C VAL A 973 36.006 -6.757 1.776 1.00 1.00 C ATOM 264 O VAL A 973 36.059 -5.581 2.130 1.00 1.00 O ATOM 265 CB VAL A 973 34.097 -8.227 2.437 1.00 1.00 C ATOM 266 CG1 VAL A 973 34.130 -7.433 3.745 1.00 1.00 C ATOM 267 CG2 VAL A 973 32.642 -8.604 2.122 1.00 1.00 C ATOM 0 H VAL A 973 34.703 -9.169 0.223 1.00 1.00 H new ATOM 0 HA VAL A 973 33.989 -6.570 1.063 1.00 1.00 H new ATOM 0 HB VAL A 973 34.689 -9.138 2.530 1.00 1.00 H new ATOM 0 HG11 VAL A 973 33.711 -8.038 4.549 1.00 1.00 H new ATOM 0 HG12 VAL A 973 35.160 -7.173 3.987 1.00 1.00 H new ATOM 0 HG13 VAL A 973 33.542 -6.522 3.632 1.00 1.00 H new ATOM 0 HG21 VAL A 973 32.240 -9.212 2.933 1.00 1.00 H new ATOM 0 HG22 VAL A 973 32.046 -7.698 2.018 1.00 1.00 H new ATOM 0 HG23 VAL A 973 32.606 -9.171 1.192 1.00 1.00 H new ATOM 277 N LEU A 974 37.065 -7.559 1.778 1.00 1.00 N ATOM 278 CA LEU A 974 38.370 -7.076 2.213 1.00 1.00 C ATOM 279 C LEU A 974 38.849 -5.944 1.308 1.00 1.00 C ATOM 280 O LEU A 974 39.374 -4.938 1.785 1.00 1.00 O ATOM 281 CB LEU A 974 39.384 -8.228 2.191 1.00 1.00 C ATOM 282 CG LEU A 974 40.770 -7.736 2.627 1.00 1.00 C ATOM 283 CD1 LEU A 974 40.692 -7.115 4.023 1.00 1.00 C ATOM 284 CD2 LEU A 974 41.739 -8.921 2.658 1.00 1.00 C ATOM 0 H LEU A 974 37.047 -8.536 1.487 1.00 1.00 H new ATOM 0 HA LEU A 974 38.281 -6.694 3.230 1.00 1.00 H new ATOM 0 HB2 LEU A 974 39.050 -9.026 2.854 1.00 1.00 H new ATOM 0 HB3 LEU A 974 39.441 -8.650 1.188 1.00 1.00 H new ATOM 0 HG LEU A 974 41.121 -6.985 1.920 1.00 1.00 H new ATOM 0 HD11 LEU A 974 41.681 -6.769 4.323 1.00 1.00 H new ATOM 0 HD12 LEU A 974 40.002 -6.272 4.008 1.00 1.00 H new ATOM 0 HD13 LEU A 974 40.338 -7.861 4.734 1.00 1.00 H new ATOM 0 HD21 LEU A 974 42.726 -8.576 2.967 1.00 1.00 H new ATOM 0 HD22 LEU A 974 41.378 -9.668 3.365 1.00 1.00 H new ATOM 0 HD23 LEU A 974 41.805 -9.364 1.664 1.00 1.00 H new ATOM 296 N GLY A 975 38.662 -6.108 0.003 1.00 1.00 N ATOM 297 CA GLY A 975 39.080 -5.083 -0.946 1.00 1.00 C ATOM 298 C GLY A 975 38.312 -3.785 -0.715 1.00 1.00 C ATOM 299 O GLY A 975 38.880 -2.695 -0.780 1.00 1.00 O ATOM 0 H GLY A 975 38.229 -6.930 -0.418 1.00 1.00 H new ATOM 0 HA2 GLY A 975 40.150 -4.901 -0.844 1.00 1.00 H new ATOM 0 HA3 GLY A 975 38.912 -5.434 -1.964 1.00 1.00 H new ATOM 303 N GLY A 976 37.017 -3.911 -0.442 1.00 1.00 N ATOM 304 CA GLY A 976 36.180 -2.740 -0.199 1.00 1.00 C ATOM 305 C GLY A 976 36.632 -1.996 1.055 1.00 1.00 C ATOM 306 O GLY A 976 36.658 -0.766 1.086 1.00 1.00 O ATOM 0 H GLY A 976 36.527 -4.804 -0.384 1.00 1.00 H new ATOM 0 HA2 GLY A 976 36.225 -2.072 -1.059 1.00 1.00 H new ATOM 0 HA3 GLY A 976 35.140 -3.048 -0.089 1.00 1.00 H new ATOM 310 N LEU A 977 36.998 -2.754 2.085 1.00 1.00 N ATOM 311 CA LEU A 977 37.462 -2.165 3.338 1.00 1.00 C ATOM 312 C LEU A 977 38.745 -1.377 3.106 1.00 1.00 C ATOM 313 O LEU A 977 38.938 -0.298 3.668 1.00 1.00 O ATOM 314 CB LEU A 977 37.707 -3.257 4.381 1.00 1.00 C ATOM 315 CG LEU A 977 36.366 -3.857 4.825 1.00 1.00 C ATOM 316 CD1 LEU A 977 36.622 -5.100 5.679 1.00 1.00 C ATOM 317 CD2 LEU A 977 35.570 -2.832 5.646 1.00 1.00 C ATOM 0 H LEU A 977 36.983 -3.774 2.077 1.00 1.00 H new ATOM 0 HA LEU A 977 36.691 -1.489 3.708 1.00 1.00 H new ATOM 0 HB2 LEU A 977 38.345 -4.036 3.963 1.00 1.00 H new ATOM 0 HB3 LEU A 977 38.233 -2.841 5.240 1.00 1.00 H new ATOM 0 HG LEU A 977 35.790 -4.128 3.940 1.00 1.00 H new ATOM 0 HD11 LEU A 977 35.670 -5.527 5.995 1.00 1.00 H new ATOM 0 HD12 LEU A 977 37.173 -5.836 5.094 1.00 1.00 H new ATOM 0 HD13 LEU A 977 37.205 -4.824 6.558 1.00 1.00 H new ATOM 0 HD21 LEU A 977 34.621 -3.271 5.954 1.00 1.00 H new ATOM 0 HD22 LEU A 977 36.143 -2.549 6.529 1.00 1.00 H new ATOM 0 HD23 LEU A 977 35.380 -1.947 5.038 1.00 1.00 H new ATOM 329 N LEU A 978 39.624 -1.932 2.280 1.00 1.00 N ATOM 330 CA LEU A 978 40.896 -1.287 1.979 1.00 1.00 C ATOM 331 C LEU A 978 40.659 0.065 1.310 1.00 1.00 C ATOM 332 O LEU A 978 41.337 1.044 1.620 1.00 1.00 O ATOM 333 CB LEU A 978 41.727 -2.189 1.056 1.00 1.00 C ATOM 334 CG LEU A 978 43.070 -1.526 0.720 1.00 1.00 C ATOM 335 CD1 LEU A 978 43.847 -1.234 2.005 1.00 1.00 C ATOM 336 CD2 LEU A 978 43.891 -2.473 -0.160 1.00 1.00 C ATOM 0 H LEU A 978 39.480 -2.825 1.808 1.00 1.00 H new ATOM 0 HA LEU A 978 41.440 -1.125 2.910 1.00 1.00 H new ATOM 0 HB2 LEU A 978 41.901 -3.151 1.538 1.00 1.00 H new ATOM 0 HB3 LEU A 978 41.174 -2.388 0.138 1.00 1.00 H new ATOM 0 HG LEU A 978 42.886 -0.590 0.193 1.00 1.00 H new ATOM 0 HD11 LEU A 978 44.798 -0.764 1.756 1.00 1.00 H new ATOM 0 HD12 LEU A 978 43.265 -0.563 2.638 1.00 1.00 H new ATOM 0 HD13 LEU A 978 44.032 -2.166 2.538 1.00 1.00 H new ATOM 0 HD21 LEU A 978 44.846 -2.008 -0.402 1.00 1.00 H new ATOM 0 HD22 LEU A 978 44.067 -3.406 0.375 1.00 1.00 H new ATOM 0 HD23 LEU A 978 43.345 -2.680 -1.080 1.00 1.00 H new ATOM 348 N LEU A 979 39.699 0.113 0.391 1.00 1.00 N ATOM 349 CA LEU A 979 39.395 1.357 -0.312 1.00 1.00 C ATOM 350 C LEU A 979 38.938 2.426 0.675 1.00 1.00 C ATOM 351 O LEU A 979 39.374 3.576 0.604 1.00 1.00 O ATOM 352 CB LEU A 979 38.284 1.103 -1.341 1.00 1.00 C ATOM 353 CG LEU A 979 37.925 2.405 -2.080 1.00 1.00 C ATOM 354 CD1 LEU A 979 37.193 2.059 -3.375 1.00 1.00 C ATOM 355 CD2 LEU A 979 37.016 3.306 -1.225 1.00 1.00 C ATOM 0 H LEU A 979 39.124 -0.684 0.117 1.00 1.00 H new ATOM 0 HA LEU A 979 40.295 1.706 -0.818 1.00 1.00 H new ATOM 0 HB2 LEU A 979 38.610 0.349 -2.058 1.00 1.00 H new ATOM 0 HB3 LEU A 979 37.401 0.707 -0.841 1.00 1.00 H new ATOM 0 HG LEU A 979 38.850 2.943 -2.287 1.00 1.00 H new ATOM 0 HD11 LEU A 979 36.936 2.977 -3.904 1.00 1.00 H new ATOM 0 HD12 LEU A 979 37.838 1.446 -4.005 1.00 1.00 H new ATOM 0 HD13 LEU A 979 36.282 1.507 -3.142 1.00 1.00 H new ATOM 0 HD21 LEU A 979 36.782 4.216 -1.777 1.00 1.00 H new ATOM 0 HD22 LEU A 979 36.093 2.775 -0.993 1.00 1.00 H new ATOM 0 HD23 LEU A 979 37.528 3.565 -0.299 1.00 1.00 H new ATOM 367 N LEU A 980 38.063 2.040 1.597 1.00 1.00 N ATOM 368 CA LEU A 980 37.561 2.979 2.593 1.00 1.00 C ATOM 369 C LEU A 980 38.697 3.472 3.484 1.00 1.00 C ATOM 370 O LEU A 980 38.780 4.659 3.802 1.00 1.00 O ATOM 371 CB LEU A 980 36.484 2.297 3.450 1.00 1.00 C ATOM 372 CG LEU A 980 35.955 3.264 4.521 1.00 1.00 C ATOM 373 CD1 LEU A 980 35.397 4.527 3.860 1.00 1.00 C ATOM 374 CD2 LEU A 980 34.840 2.575 5.312 1.00 1.00 C ATOM 0 H LEU A 980 37.690 1.094 1.676 1.00 1.00 H new ATOM 0 HA LEU A 980 37.126 3.836 2.079 1.00 1.00 H new ATOM 0 HB2 LEU A 980 35.663 1.964 2.815 1.00 1.00 H new ATOM 0 HB3 LEU A 980 36.899 1.409 3.927 1.00 1.00 H new ATOM 0 HG LEU A 980 36.771 3.541 5.188 1.00 1.00 H new ATOM 0 HD11 LEU A 980 35.025 5.205 4.628 1.00 1.00 H new ATOM 0 HD12 LEU A 980 36.186 5.020 3.292 1.00 1.00 H new ATOM 0 HD13 LEU A 980 34.582 4.257 3.189 1.00 1.00 H new ATOM 0 HD21 LEU A 980 34.460 3.256 6.074 1.00 1.00 H new ATOM 0 HD22 LEU A 980 34.031 2.299 4.636 1.00 1.00 H new ATOM 0 HD23 LEU A 980 35.234 1.678 5.791 1.00 1.00 H new ATOM 386 N THR A 981 39.562 2.548 3.888 1.00 1.00 N ATOM 387 CA THR A 981 40.687 2.881 4.755 1.00 1.00 C ATOM 388 C THR A 981 41.648 3.857 4.080 1.00 1.00 C ATOM 389 O THR A 981 42.099 4.821 4.699 1.00 1.00 O ATOM 390 CB THR A 981 41.442 1.606 5.134 1.00 1.00 C ATOM 391 OG1 THR A 981 40.580 0.748 5.867 1.00 1.00 O ATOM 392 CG2 THR A 981 42.657 1.965 5.990 1.00 1.00 C ATOM 0 H THR A 981 39.506 1.563 3.629 1.00 1.00 H new ATOM 0 HA THR A 981 40.288 3.360 5.649 1.00 1.00 H new ATOM 0 HB THR A 981 41.776 1.099 4.229 1.00 1.00 H new ATOM 0 HG1 THR A 981 39.952 0.313 5.253 1.00 1.00 H new ATOM 0 HG21 THR A 981 43.194 1.055 6.259 1.00 1.00 H new ATOM 0 HG22 THR A 981 43.318 2.623 5.426 1.00 1.00 H new ATOM 0 HG23 THR A 981 42.326 2.473 6.896 1.00 1.00 H new ATOM 400 N ILE A 982 41.974 3.595 2.818 1.00 1.00 N ATOM 401 CA ILE A 982 42.903 4.455 2.092 1.00 1.00 C ATOM 402 C ILE A 982 42.339 5.864 1.930 1.00 1.00 C ATOM 403 O ILE A 982 43.051 6.849 2.129 1.00 1.00 O ATOM 404 CB ILE A 982 43.194 3.862 0.713 1.00 1.00 C ATOM 405 CG1 ILE A 982 43.994 2.567 0.876 1.00 1.00 C ATOM 406 CG2 ILE A 982 44.006 4.863 -0.111 1.00 1.00 C ATOM 407 CD1 ILE A 982 44.045 1.826 -0.461 1.00 1.00 C ATOM 0 H ILE A 982 41.614 2.805 2.282 1.00 1.00 H new ATOM 0 HA ILE A 982 43.826 4.516 2.669 1.00 1.00 H new ATOM 0 HB ILE A 982 42.255 3.649 0.202 1.00 1.00 H new ATOM 0 HG12 ILE A 982 45.004 2.792 1.218 1.00 1.00 H new ATOM 0 HG13 ILE A 982 43.533 1.936 1.636 1.00 1.00 H new ATOM 0 HG21 ILE A 982 44.214 4.441 -1.094 1.00 1.00 H new ATOM 0 HG22 ILE A 982 43.438 5.786 -0.225 1.00 1.00 H new ATOM 0 HG23 ILE A 982 44.946 5.076 0.398 1.00 1.00 H new ATOM 0 HD11 ILE A 982 44.615 0.904 -0.345 1.00 1.00 H new ATOM 0 HD12 ILE A 982 43.032 1.588 -0.784 1.00 1.00 H new ATOM 0 HD13 ILE A 982 44.525 2.457 -1.209 1.00 1.00 H new ATOM 419 N LEU A 983 41.064 5.957 1.570 1.00 1.00 N ATOM 420 CA LEU A 983 40.433 7.260 1.389 1.00 1.00 C ATOM 421 C LEU A 983 40.416 8.031 2.706 1.00 1.00 C ATOM 422 O LEU A 983 40.706 9.227 2.743 1.00 1.00 O ATOM 423 CB LEU A 983 38.999 7.073 0.871 1.00 1.00 C ATOM 424 CG LEU A 983 38.314 8.432 0.674 1.00 1.00 C ATOM 425 CD1 LEU A 983 39.119 9.285 -0.310 1.00 1.00 C ATOM 426 CD2 LEU A 983 36.907 8.209 0.116 1.00 1.00 C ATOM 0 H LEU A 983 40.453 5.158 1.400 1.00 1.00 H new ATOM 0 HA LEU A 983 41.008 7.832 0.660 1.00 1.00 H new ATOM 0 HB2 LEU A 983 39.016 6.528 -0.073 1.00 1.00 H new ATOM 0 HB3 LEU A 983 38.427 6.471 1.577 1.00 1.00 H new ATOM 0 HG LEU A 983 38.257 8.949 1.632 1.00 1.00 H new ATOM 0 HD11 LEU A 983 38.626 10.248 -0.444 1.00 1.00 H new ATOM 0 HD12 LEU A 983 40.123 9.443 0.083 1.00 1.00 H new ATOM 0 HD13 LEU A 983 39.181 8.772 -1.270 1.00 1.00 H new ATOM 0 HD21 LEU A 983 36.415 9.171 -0.026 1.00 1.00 H new ATOM 0 HD22 LEU A 983 36.973 7.690 -0.840 1.00 1.00 H new ATOM 0 HD23 LEU A 983 36.329 7.606 0.817 1.00 1.00 H new ATOM 438 N VAL A 984 40.076 7.331 3.785 1.00 1.00 N ATOM 439 CA VAL A 984 40.019 7.942 5.107 1.00 1.00 C ATOM 440 C VAL A 984 41.401 8.408 5.555 1.00 1.00 C ATOM 441 O VAL A 984 41.553 9.502 6.098 1.00 1.00 O ATOM 442 CB VAL A 984 39.466 6.941 6.120 1.00 1.00 C ATOM 443 CG1 VAL A 984 39.598 7.516 7.532 1.00 1.00 C ATOM 444 CG2 VAL A 984 37.990 6.672 5.816 1.00 1.00 C ATOM 0 H VAL A 984 39.836 6.340 3.768 1.00 1.00 H new ATOM 0 HA VAL A 984 39.361 8.809 5.051 1.00 1.00 H new ATOM 0 HB VAL A 984 40.028 6.009 6.054 1.00 1.00 H new ATOM 0 HG11 VAL A 984 39.203 6.801 8.254 1.00 1.00 H new ATOM 0 HG12 VAL A 984 40.648 7.709 7.749 1.00 1.00 H new ATOM 0 HG13 VAL A 984 39.036 8.448 7.599 1.00 1.00 H new ATOM 0 HG21 VAL A 984 37.594 5.958 6.538 1.00 1.00 H new ATOM 0 HG22 VAL A 984 37.429 7.604 5.883 1.00 1.00 H new ATOM 0 HG23 VAL A 984 37.894 6.262 4.811 1.00 1.00 H new ATOM 454 N LEU A 985 42.402 7.561 5.342 1.00 1.00 N ATOM 455 CA LEU A 985 43.764 7.883 5.747 1.00 1.00 C ATOM 456 C LEU A 985 44.281 9.119 5.017 1.00 1.00 C ATOM 457 O LEU A 985 44.919 9.979 5.623 1.00 1.00 O ATOM 458 CB LEU A 985 44.683 6.686 5.468 1.00 1.00 C ATOM 459 CG LEU A 985 46.119 7.018 5.887 1.00 1.00 C ATOM 460 CD1 LEU A 985 46.753 5.783 6.532 1.00 1.00 C ATOM 461 CD2 LEU A 985 46.950 7.412 4.659 1.00 1.00 C ATOM 0 H LEU A 985 42.296 6.651 4.894 1.00 1.00 H new ATOM 0 HA LEU A 985 43.761 8.100 6.815 1.00 1.00 H new ATOM 0 HB2 LEU A 985 44.330 5.811 6.013 1.00 1.00 H new ATOM 0 HB3 LEU A 985 44.654 6.434 4.408 1.00 1.00 H new ATOM 0 HG LEU A 985 46.099 7.848 6.593 1.00 1.00 H new ATOM 0 HD11 LEU A 985 47.775 6.014 6.832 1.00 1.00 H new ATOM 0 HD12 LEU A 985 46.174 5.493 7.409 1.00 1.00 H new ATOM 0 HD13 LEU A 985 46.762 4.962 5.815 1.00 1.00 H new ATOM 0 HD21 LEU A 985 47.969 7.646 4.969 1.00 1.00 H new ATOM 0 HD22 LEU A 985 46.967 6.584 3.950 1.00 1.00 H new ATOM 0 HD23 LEU A 985 46.505 8.287 4.184 1.00 1.00 H new ATOM 473 N ALA A 986 44.014 9.207 3.717 1.00 1.00 N ATOM 474 CA ALA A 986 44.479 10.351 2.942 1.00 1.00 C ATOM 475 C ALA A 986 43.869 11.645 3.471 1.00 1.00 C ATOM 476 O ALA A 986 44.563 12.648 3.638 1.00 1.00 O ATOM 477 CB ALA A 986 44.103 10.171 1.470 1.00 1.00 C ATOM 0 H ALA A 986 43.488 8.513 3.186 1.00 1.00 H new ATOM 0 HA ALA A 986 45.563 10.412 3.036 1.00 1.00 H new ATOM 0 HB1 ALA A 986 44.454 11.030 0.897 1.00 1.00 H new ATOM 0 HB2 ALA A 986 44.567 9.263 1.084 1.00 1.00 H new ATOM 0 HB3 ALA A 986 43.020 10.092 1.378 1.00 1.00 H new ATOM 483 N MET A 987 42.570 11.618 3.745 1.00 1.00 N ATOM 484 CA MET A 987 41.893 12.799 4.264 1.00 1.00 C ATOM 485 C MET A 987 42.434 13.156 5.647 1.00 1.00 C ATOM 486 O MET A 987 42.654 14.327 5.959 1.00 1.00 O ATOM 487 CB MET A 987 40.387 12.543 4.332 1.00 1.00 C ATOM 488 CG MET A 987 39.809 12.574 2.914 1.00 1.00 C ATOM 489 SD MET A 987 38.033 12.232 2.971 1.00 1.00 S ATOM 490 CE MET A 987 37.767 12.048 1.190 1.00 1.00 C ATOM 0 H MET A 987 41.971 10.802 3.618 1.00 1.00 H new ATOM 0 HA MET A 987 42.080 13.638 3.594 1.00 1.00 H new ATOM 0 HB2 MET A 987 40.190 11.577 4.797 1.00 1.00 H new ATOM 0 HB3 MET A 987 39.905 13.299 4.951 1.00 1.00 H new ATOM 0 HG2 MET A 987 39.987 13.549 2.460 1.00 1.00 H new ATOM 0 HG3 MET A 987 40.312 11.835 2.290 1.00 1.00 H new ATOM 0 HE1 MET A 987 37.158 12.875 0.826 1.00 1.00 H new ATOM 0 HE2 MET A 987 38.728 12.051 0.676 1.00 1.00 H new ATOM 0 HE3 MET A 987 37.254 11.106 0.994 1.00 1.00 H new ATOM 500 N TRP A 988 42.660 12.133 6.464 1.00 1.00 N ATOM 501 CA TRP A 988 43.191 12.331 7.810 1.00 1.00 C ATOM 502 C TRP A 988 44.583 12.960 7.743 1.00 1.00 C ATOM 503 O TRP A 988 44.924 13.837 8.535 1.00 1.00 O ATOM 504 CB TRP A 988 43.268 10.985 8.537 1.00 1.00 C ATOM 505 CG TRP A 988 44.088 11.118 9.784 1.00 1.00 C ATOM 506 CD1 TRP A 988 44.172 12.229 10.555 1.00 1.00 C ATOM 507 CD2 TRP A 988 44.948 10.121 10.411 1.00 1.00 C ATOM 508 NE1 TRP A 988 45.023 11.974 11.614 1.00 1.00 N ATOM 509 CE2 TRP A 988 45.528 10.690 11.570 1.00 1.00 C ATOM 510 CE3 TRP A 988 45.277 8.792 10.090 1.00 1.00 C ATOM 511 CZ2 TRP A 988 46.403 9.966 12.380 1.00 1.00 C ATOM 512 CZ3 TRP A 988 46.157 8.060 10.904 1.00 1.00 C ATOM 513 CH2 TRP A 988 46.718 8.647 12.047 1.00 1.00 C ATOM 0 H TRP A 988 42.484 11.159 6.219 1.00 1.00 H new ATOM 0 HA TRP A 988 42.527 13.001 8.356 1.00 1.00 H new ATOM 0 HB2 TRP A 988 42.265 10.641 8.788 1.00 1.00 H new ATOM 0 HB3 TRP A 988 43.708 10.234 7.881 1.00 1.00 H new ATOM 0 HD1 TRP A 988 43.658 13.161 10.372 1.00 1.00 H new ATOM 0 HE1 TRP A 988 45.250 12.653 12.341 1.00 1.00 H new ATOM 0 HE3 TRP A 988 44.850 8.331 9.212 1.00 1.00 H new ATOM 0 HZ2 TRP A 988 46.834 10.423 13.259 1.00 1.00 H new ATOM 0 HZ3 TRP A 988 46.403 7.040 10.648 1.00 1.00 H new ATOM 0 HH2 TRP A 988 47.394 8.079 12.670 1.00 1.00 H new ATOM 524 N LYS A 989 45.382 12.495 6.789 1.00 1.00 N ATOM 525 CA LYS A 989 46.743 12.994 6.618 1.00 1.00 C ATOM 526 C LYS A 989 46.717 14.366 5.946 1.00 1.00 C ATOM 527 O LYS A 989 47.727 15.066 5.896 1.00 1.00 O ATOM 528 CB LYS A 989 47.546 12.015 5.744 1.00 1.00 C ATOM 529 CG LYS A 989 48.658 11.304 6.551 1.00 1.00 C ATOM 530 CD LYS A 989 49.970 12.121 6.571 1.00 1.00 C ATOM 531 CE LYS A 989 49.909 13.235 7.623 1.00 1.00 C ATOM 532 NZ LYS A 989 51.278 13.777 7.845 1.00 1.00 N ATOM 0 H LYS A 989 45.111 11.773 6.122 1.00 1.00 H new ATOM 0 HA LYS A 989 47.213 13.082 7.597 1.00 1.00 H new ATOM 0 HB2 LYS A 989 46.873 11.271 5.319 1.00 1.00 H new ATOM 0 HB3 LYS A 989 47.992 12.555 4.909 1.00 1.00 H new ATOM 0 HG2 LYS A 989 48.317 11.141 7.573 1.00 1.00 H new ATOM 0 HG3 LYS A 989 48.849 10.322 6.118 1.00 1.00 H new ATOM 0 HD2 LYS A 989 50.810 11.460 6.784 1.00 1.00 H new ATOM 0 HD3 LYS A 989 50.147 12.555 5.587 1.00 1.00 H new ATOM 0 HE2 LYS A 989 49.240 14.029 7.290 1.00 1.00 H new ATOM 0 HE3 LYS A 989 49.503 12.847 8.557 1.00 1.00 H new ATOM 0 HZ1 LYS A 989 51.241 14.533 8.558 1.00 1.00 H new ATOM 0 HZ2 LYS A 989 51.903 13.016 8.180 1.00 1.00 H new ATOM 0 HZ3 LYS A 989 51.648 14.161 6.952 1.00 1.00 H new ATOM 546 N VAL A 990 45.556 14.747 5.428 1.00 1.00 N ATOM 547 CA VAL A 990 45.419 16.035 4.764 1.00 1.00 C ATOM 548 C VAL A 990 45.034 17.108 5.774 1.00 1.00 C ATOM 549 O VAL A 990 45.153 18.303 5.504 1.00 1.00 O ATOM 550 CB VAL A 990 44.354 15.953 3.670 1.00 1.00 C ATOM 551 CG1 VAL A 990 43.966 17.365 3.228 1.00 1.00 C ATOM 552 CG2 VAL A 990 44.916 15.183 2.472 1.00 1.00 C ATOM 0 H VAL A 990 44.703 14.188 5.455 1.00 1.00 H new ATOM 0 HA VAL A 990 46.376 16.297 4.312 1.00 1.00 H new ATOM 0 HB VAL A 990 43.474 15.438 4.057 1.00 1.00 H new ATOM 0 HG11 VAL A 990 43.207 17.306 2.448 1.00 1.00 H new ATOM 0 HG12 VAL A 990 43.569 17.917 4.080 1.00 1.00 H new ATOM 0 HG13 VAL A 990 44.845 17.879 2.840 1.00 1.00 H new ATOM 0 HG21 VAL A 990 44.159 15.123 1.690 1.00 1.00 H new ATOM 0 HG22 VAL A 990 45.795 15.700 2.087 1.00 1.00 H new ATOM 0 HG23 VAL A 990 45.195 14.177 2.785 1.00 1.00 H new ATOM 562 N GLY A 991 44.563 16.671 6.937 1.00 1.00 N ATOM 563 CA GLY A 991 44.153 17.600 7.980 1.00 1.00 C ATOM 564 C GLY A 991 42.737 18.088 7.717 1.00 1.00 C ATOM 565 O GLY A 991 42.262 19.036 8.342 1.00 1.00 O ATOM 0 H GLY A 991 44.457 15.686 7.179 1.00 1.00 H new ATOM 0 HA2 GLY A 991 44.203 17.112 8.953 1.00 1.00 H new ATOM 0 HA3 GLY A 991 44.838 18.447 8.013 1.00 1.00 H new ATOM 569 N PHE A 992 42.075 17.426 6.778 1.00 1.00 N ATOM 570 CA PHE A 992 40.712 17.777 6.410 1.00 1.00 C ATOM 571 C PHE A 992 39.768 17.617 7.599 1.00 1.00 C ATOM 572 O PHE A 992 38.896 18.456 7.827 1.00 1.00 O ATOM 573 CB PHE A 992 40.261 16.884 5.246 1.00 1.00 C ATOM 574 CG PHE A 992 38.812 17.128 4.841 1.00 1.00 C ATOM 575 CD1 PHE A 992 38.203 18.395 4.949 1.00 1.00 C ATOM 576 CD2 PHE A 992 38.074 16.049 4.333 1.00 1.00 C ATOM 577 CE1 PHE A 992 36.872 18.566 4.548 1.00 1.00 C ATOM 578 CE2 PHE A 992 36.745 16.226 3.938 1.00 1.00 C ATOM 579 CZ PHE A 992 36.146 17.483 4.043 1.00 1.00 C ATOM 0 H PHE A 992 42.462 16.640 6.256 1.00 1.00 H new ATOM 0 HA PHE A 992 40.684 18.822 6.102 1.00 1.00 H new ATOM 0 HB2 PHE A 992 40.908 17.060 4.387 1.00 1.00 H new ATOM 0 HB3 PHE A 992 40.383 15.838 5.528 1.00 1.00 H new ATOM 0 HD1 PHE A 992 38.762 19.232 5.340 1.00 1.00 H new ATOM 0 HD2 PHE A 992 38.535 15.076 4.247 1.00 1.00 H new ATOM 0 HE1 PHE A 992 36.405 19.537 4.629 1.00 1.00 H new ATOM 0 HE2 PHE A 992 36.181 15.390 3.551 1.00 1.00 H new ATOM 0 HZ PHE A 992 35.120 17.619 3.734 1.00 1.00 H new ATOM 589 N PHE A 993 39.937 16.529 8.346 1.00 1.00 N ATOM 590 CA PHE A 993 39.077 16.272 9.501 1.00 1.00 C ATOM 591 C PHE A 993 39.737 16.692 10.811 1.00 1.00 C ATOM 592 O PHE A 993 39.134 16.561 11.877 1.00 1.00 O ATOM 593 CB PHE A 993 38.714 14.791 9.571 1.00 1.00 C ATOM 594 CG PHE A 993 37.687 14.480 8.514 1.00 1.00 C ATOM 595 CD1 PHE A 993 36.344 14.814 8.723 1.00 1.00 C ATOM 596 CD2 PHE A 993 38.077 13.862 7.322 1.00 1.00 C ATOM 597 CE1 PHE A 993 35.390 14.530 7.739 1.00 1.00 C ATOM 598 CE2 PHE A 993 37.124 13.577 6.339 1.00 1.00 C ATOM 599 CZ PHE A 993 35.780 13.909 6.547 1.00 1.00 C ATOM 0 H PHE A 993 40.650 15.820 8.177 1.00 1.00 H new ATOM 0 HA PHE A 993 38.175 16.870 9.369 1.00 1.00 H new ATOM 0 HB2 PHE A 993 39.604 14.179 9.421 1.00 1.00 H new ATOM 0 HB3 PHE A 993 38.322 14.547 10.558 1.00 1.00 H new ATOM 0 HD1 PHE A 993 36.044 15.291 9.644 1.00 1.00 H new ATOM 0 HD2 PHE A 993 39.113 13.605 7.161 1.00 1.00 H new ATOM 0 HE1 PHE A 993 34.354 14.790 7.899 1.00 1.00 H new ATOM 0 HE2 PHE A 993 37.425 13.100 5.418 1.00 1.00 H new ATOM 0 HZ PHE A 993 35.045 13.686 5.788 1.00 1.00 H new ATOM 609 N LYS A 994 40.964 17.197 10.734 1.00 1.00 N ATOM 610 CA LYS A 994 41.675 17.631 11.933 1.00 1.00 C ATOM 611 C LYS A 994 41.847 19.147 11.928 1.00 1.00 C ATOM 612 O LYS A 994 42.309 19.726 10.945 1.00 1.00 O ATOM 613 CB LYS A 994 43.047 16.955 12.007 1.00 1.00 C ATOM 614 CG LYS A 994 43.742 17.340 13.316 1.00 1.00 C ATOM 615 CD LYS A 994 45.089 16.621 13.405 1.00 1.00 C ATOM 616 CE LYS A 994 45.780 16.984 14.720 1.00 1.00 C ATOM 617 NZ LYS A 994 47.082 16.265 14.809 1.00 1.00 N ATOM 0 H LYS A 994 41.483 17.315 9.864 1.00 1.00 H new ATOM 0 HA LYS A 994 41.088 17.344 12.806 1.00 1.00 H new ATOM 0 HB2 LYS A 994 42.933 15.872 11.949 1.00 1.00 H new ATOM 0 HB3 LYS A 994 43.658 17.257 11.157 1.00 1.00 H new ATOM 0 HG2 LYS A 994 43.890 18.419 13.359 1.00 1.00 H new ATOM 0 HG3 LYS A 994 43.116 17.070 14.166 1.00 1.00 H new ATOM 0 HD2 LYS A 994 44.941 15.543 13.346 1.00 1.00 H new ATOM 0 HD3 LYS A 994 45.719 16.903 12.562 1.00 1.00 H new ATOM 0 HE2 LYS A 994 45.942 18.061 14.774 1.00 1.00 H new ATOM 0 HE3 LYS A 994 45.145 16.715 15.564 1.00 1.00 H new ATOM 0 HZ1 LYS A 994 47.554 16.510 15.703 1.00 1.00 H new ATOM 0 HZ2 LYS A 994 46.915 15.239 14.776 1.00 1.00 H new ATOM 0 HZ3 LYS A 994 47.687 16.543 14.010 1.00 1.00 H new ATOM 631 N ARG A 995 41.479 19.780 13.037 1.00 1.00 N ATOM 632 CA ARG A 995 41.603 21.222 13.167 1.00 1.00 C ATOM 633 C ARG A 995 42.220 21.541 14.519 1.00 1.00 C ATOM 634 O ARG A 995 42.079 20.764 15.463 1.00 1.00 O ATOM 635 CB ARG A 995 40.230 21.902 13.058 1.00 1.00 C ATOM 636 CG ARG A 995 39.690 21.777 11.630 1.00 1.00 C ATOM 637 CD ARG A 995 38.315 22.449 11.544 1.00 1.00 C ATOM 638 NE ARG A 995 37.784 22.346 10.188 1.00 1.00 N ATOM 639 CZ ARG A 995 36.774 23.113 9.781 1.00 1.00 C ATOM 640 NH1 ARG A 995 36.251 23.989 10.596 1.00 1.00 N ATOM 641 NH2 ARG A 995 36.311 22.992 8.566 1.00 1.00 N ATOM 0 H ARG A 995 41.092 19.314 13.858 1.00 1.00 H new ATOM 0 HA ARG A 995 42.236 21.597 12.362 1.00 1.00 H new ATOM 0 HB2 ARG A 995 39.533 21.444 13.760 1.00 1.00 H new ATOM 0 HB3 ARG A 995 40.314 22.954 13.332 1.00 1.00 H new ATOM 0 HG2 ARG A 995 40.380 22.244 10.927 1.00 1.00 H new ATOM 0 HG3 ARG A 995 39.612 20.727 11.350 1.00 1.00 H new ATOM 0 HD2 ARG A 995 37.628 21.978 12.247 1.00 1.00 H new ATOM 0 HD3 ARG A 995 38.397 23.497 11.831 1.00 1.00 H new ATOM 0 HE ARG A 995 38.194 21.674 9.540 1.00 1.00 H new ATOM 0 HH11 ARG A 995 36.616 24.086 11.544 1.00 1.00 H new ATOM 0 HH12 ARG A 995 35.478 24.577 10.285 1.00 1.00 H new ATOM 0 HH21 ARG A 995 36.723 22.310 7.929 1.00 1.00 H new ATOM 0 HH22 ARG A 995 35.538 23.579 8.254 1.00 1.00 H new ATOM 808 N ASP B 692 27.366 -17.556 -12.040 1.00 1.00 N ATOM 809 CA ASP B 692 27.251 -16.099 -12.053 1.00 1.00 C ATOM 810 C ASP B 692 27.867 -15.496 -10.795 1.00 1.00 C ATOM 811 O ASP B 692 27.342 -14.543 -10.233 1.00 1.00 O ATOM 812 CB ASP B 692 25.782 -15.674 -12.172 1.00 1.00 C ATOM 813 CG ASP B 692 25.262 -15.976 -13.573 1.00 1.00 C ATOM 814 OD1 ASP B 692 26.077 -16.226 -14.446 1.00 1.00 O ATOM 815 OD2 ASP B 692 24.057 -15.951 -13.754 1.00 1.00 O ATOM 0 HA ASP B 692 27.796 -15.727 -12.921 1.00 1.00 H new ATOM 0 HB2 ASP B 692 25.181 -16.202 -11.431 1.00 1.00 H new ATOM 0 HB3 ASP B 692 25.685 -14.609 -11.961 1.00 1.00 H new ATOM 820 N ILE B 693 28.982 -16.065 -10.358 1.00 1.00 N ATOM 821 CA ILE B 693 29.667 -15.582 -9.162 1.00 1.00 C ATOM 822 C ILE B 693 30.239 -14.180 -9.375 1.00 1.00 C ATOM 823 O ILE B 693 30.445 -13.433 -8.418 1.00 1.00 O ATOM 824 CB ILE B 693 30.799 -16.544 -8.783 1.00 1.00 C ATOM 825 CG1 ILE B 693 31.363 -16.181 -7.401 1.00 1.00 C ATOM 826 CG2 ILE B 693 31.917 -16.444 -9.822 1.00 1.00 C ATOM 827 CD1 ILE B 693 30.295 -16.375 -6.318 1.00 1.00 C ATOM 0 H ILE B 693 29.433 -16.860 -10.811 1.00 1.00 H new ATOM 0 HA ILE B 693 28.936 -15.535 -8.355 1.00 1.00 H new ATOM 0 HB ILE B 693 30.406 -17.560 -8.754 1.00 1.00 H new ATOM 0 HG12 ILE B 693 32.230 -16.803 -7.181 1.00 1.00 H new ATOM 0 HG13 ILE B 693 31.705 -15.146 -7.402 1.00 1.00 H new ATOM 0 HG21 ILE B 693 32.724 -17.127 -9.555 1.00 1.00 H new ATOM 0 HG22 ILE B 693 31.526 -16.710 -10.804 1.00 1.00 H new ATOM 0 HG23 ILE B 693 32.299 -15.424 -9.848 1.00 1.00 H new ATOM 0 HD11 ILE B 693 30.711 -16.113 -5.345 1.00 1.00 H new ATOM 0 HD12 ILE B 693 29.440 -15.733 -6.531 1.00 1.00 H new ATOM 0 HD13 ILE B 693 29.973 -17.416 -6.307 1.00 1.00 H new ATOM 839 N LEU B 694 30.526 -13.839 -10.627 1.00 1.00 N ATOM 840 CA LEU B 694 31.114 -12.538 -10.939 1.00 1.00 C ATOM 841 C LEU B 694 30.196 -11.383 -10.528 1.00 1.00 C ATOM 842 O LEU B 694 30.663 -10.393 -9.967 1.00 1.00 O ATOM 843 CB LEU B 694 31.407 -12.458 -12.444 1.00 1.00 C ATOM 844 CG LEU B 694 32.010 -11.093 -12.809 1.00 1.00 C ATOM 845 CD1 LEU B 694 33.282 -10.847 -11.994 1.00 1.00 C ATOM 846 CD2 LEU B 694 32.357 -11.080 -14.299 1.00 1.00 C ATOM 0 H LEU B 694 30.364 -14.438 -11.436 1.00 1.00 H new ATOM 0 HA LEU B 694 32.039 -12.442 -10.370 1.00 1.00 H new ATOM 0 HB2 LEU B 694 32.096 -13.253 -12.728 1.00 1.00 H new ATOM 0 HB3 LEU B 694 30.488 -12.617 -13.007 1.00 1.00 H new ATOM 0 HG LEU B 694 31.285 -10.310 -12.587 1.00 1.00 H new ATOM 0 HD11 LEU B 694 33.702 -9.877 -12.260 1.00 1.00 H new ATOM 0 HD12 LEU B 694 33.041 -10.859 -10.931 1.00 1.00 H new ATOM 0 HD13 LEU B 694 34.010 -11.629 -12.210 1.00 1.00 H new ATOM 0 HD21 LEU B 694 32.786 -10.114 -14.564 1.00 1.00 H new ATOM 0 HD22 LEU B 694 33.080 -11.868 -14.511 1.00 1.00 H new ATOM 0 HD23 LEU B 694 31.453 -11.249 -14.885 1.00 1.00 H new ATOM 858 N VAL B 695 28.899 -11.498 -10.803 1.00 1.00 N ATOM 859 CA VAL B 695 27.972 -10.427 -10.439 1.00 1.00 C ATOM 860 C VAL B 695 27.918 -10.271 -8.921 1.00 1.00 C ATOM 861 O VAL B 695 27.886 -9.156 -8.401 1.00 1.00 O ATOM 862 CB VAL B 695 26.568 -10.701 -10.991 1.00 1.00 C ATOM 863 CG1 VAL B 695 26.675 -11.288 -12.399 1.00 1.00 C ATOM 864 CG2 VAL B 695 25.822 -11.677 -10.078 1.00 1.00 C ATOM 0 H VAL B 695 28.472 -12.301 -11.265 1.00 1.00 H new ATOM 0 HA VAL B 695 28.336 -9.499 -10.881 1.00 1.00 H new ATOM 0 HB VAL B 695 26.014 -9.763 -11.031 1.00 1.00 H new ATOM 0 HG11 VAL B 695 25.676 -11.482 -12.789 1.00 1.00 H new ATOM 0 HG12 VAL B 695 27.188 -10.580 -13.050 1.00 1.00 H new ATOM 0 HG13 VAL B 695 27.238 -12.221 -12.362 1.00 1.00 H new ATOM 0 HG21 VAL B 695 24.826 -11.863 -10.481 1.00 1.00 H new ATOM 0 HG22 VAL B 695 26.373 -12.616 -10.022 1.00 1.00 H new ATOM 0 HG23 VAL B 695 25.735 -11.247 -9.080 1.00 1.00 H new ATOM 874 N VAL B 696 27.911 -11.399 -8.217 1.00 1.00 N ATOM 875 CA VAL B 696 27.863 -11.386 -6.760 1.00 1.00 C ATOM 876 C VAL B 696 29.108 -10.714 -6.190 1.00 1.00 C ATOM 877 O VAL B 696 29.018 -9.898 -5.272 1.00 1.00 O ATOM 878 CB VAL B 696 27.766 -12.816 -6.228 1.00 1.00 C ATOM 879 CG1 VAL B 696 27.926 -12.808 -4.706 1.00 1.00 C ATOM 880 CG2 VAL B 696 26.401 -13.404 -6.593 1.00 1.00 C ATOM 0 H VAL B 696 27.938 -12.331 -8.631 1.00 1.00 H new ATOM 0 HA VAL B 696 26.983 -10.822 -6.449 1.00 1.00 H new ATOM 0 HB VAL B 696 28.555 -13.422 -6.673 1.00 1.00 H new ATOM 0 HG11 VAL B 696 27.857 -13.828 -4.328 1.00 1.00 H new ATOM 0 HG12 VAL B 696 28.898 -12.389 -4.445 1.00 1.00 H new ATOM 0 HG13 VAL B 696 27.138 -12.201 -4.260 1.00 1.00 H new ATOM 0 HG21 VAL B 696 26.331 -14.424 -6.214 1.00 1.00 H new ATOM 0 HG22 VAL B 696 25.613 -12.797 -6.148 1.00 1.00 H new ATOM 0 HG23 VAL B 696 26.286 -13.411 -7.677 1.00 1.00 H new ATOM 890 N LEU B 697 30.268 -11.060 -6.738 1.00 1.00 N ATOM 891 CA LEU B 697 31.521 -10.480 -6.269 1.00 1.00 C ATOM 892 C LEU B 697 31.514 -8.972 -6.490 1.00 1.00 C ATOM 893 O LEU B 697 31.921 -8.204 -5.616 1.00 1.00 O ATOM 894 CB LEU B 697 32.698 -11.114 -7.026 1.00 1.00 C ATOM 895 CG LEU B 697 34.029 -10.503 -6.564 1.00 1.00 C ATOM 896 CD1 LEU B 697 34.199 -10.696 -5.056 1.00 1.00 C ATOM 897 CD2 LEU B 697 35.181 -11.194 -7.296 1.00 1.00 C ATOM 0 H LEU B 697 30.367 -11.732 -7.499 1.00 1.00 H new ATOM 0 HA LEU B 697 31.630 -10.679 -5.203 1.00 1.00 H new ATOM 0 HB2 LEU B 697 32.708 -12.191 -6.858 1.00 1.00 H new ATOM 0 HB3 LEU B 697 32.573 -10.960 -8.098 1.00 1.00 H new ATOM 0 HG LEU B 697 34.032 -9.437 -6.790 1.00 1.00 H new ATOM 0 HD11 LEU B 697 35.146 -10.259 -4.738 1.00 1.00 H new ATOM 0 HD12 LEU B 697 33.379 -10.206 -4.532 1.00 1.00 H new ATOM 0 HD13 LEU B 697 34.194 -11.761 -4.823 1.00 1.00 H new ATOM 0 HD21 LEU B 697 36.128 -10.764 -6.971 1.00 1.00 H new ATOM 0 HD22 LEU B 697 35.170 -12.260 -7.068 1.00 1.00 H new ATOM 0 HD23 LEU B 697 35.067 -11.051 -8.371 1.00 1.00 H new ATOM 909 N LEU B 698 31.037 -8.554 -7.658 1.00 1.00 N ATOM 910 CA LEU B 698 30.965 -7.134 -7.981 1.00 1.00 C ATOM 911 C LEU B 698 30.018 -6.429 -7.015 1.00 1.00 C ATOM 912 O LEU B 698 30.297 -5.327 -6.544 1.00 1.00 O ATOM 913 CB LEU B 698 30.472 -6.953 -9.424 1.00 1.00 C ATOM 914 CG LEU B 698 30.370 -5.463 -9.774 1.00 1.00 C ATOM 915 CD1 LEU B 698 31.728 -4.784 -9.582 1.00 1.00 C ATOM 916 CD2 LEU B 698 29.938 -5.317 -11.235 1.00 1.00 C ATOM 0 H LEU B 698 30.696 -9.174 -8.393 1.00 1.00 H new ATOM 0 HA LEU B 698 31.958 -6.696 -7.886 1.00 1.00 H new ATOM 0 HB2 LEU B 698 31.156 -7.448 -10.113 1.00 1.00 H new ATOM 0 HB3 LEU B 698 29.499 -7.428 -9.544 1.00 1.00 H new ATOM 0 HG LEU B 698 29.638 -4.992 -9.119 1.00 1.00 H new ATOM 0 HD11 LEU B 698 31.645 -3.727 -9.833 1.00 1.00 H new ATOM 0 HD12 LEU B 698 32.043 -4.887 -8.543 1.00 1.00 H new ATOM 0 HD13 LEU B 698 32.465 -5.254 -10.233 1.00 1.00 H new ATOM 0 HD21 LEU B 698 29.864 -4.259 -11.489 1.00 1.00 H new ATOM 0 HD22 LEU B 698 30.674 -5.795 -11.882 1.00 1.00 H new ATOM 0 HD23 LEU B 698 28.968 -5.793 -11.377 1.00 1.00 H new ATOM 928 N SER B 699 28.892 -7.077 -6.732 1.00 1.00 N ATOM 929 CA SER B 699 27.896 -6.514 -5.828 1.00 1.00 C ATOM 930 C SER B 699 28.489 -6.282 -4.441 1.00 1.00 C ATOM 931 O SER B 699 28.222 -5.260 -3.808 1.00 1.00 O ATOM 932 CB SER B 699 26.699 -7.457 -5.720 1.00 1.00 C ATOM 933 OG SER B 699 26.112 -7.622 -7.005 1.00 1.00 O ATOM 0 H SER B 699 28.647 -7.990 -7.115 1.00 1.00 H new ATOM 0 HA SER B 699 27.572 -5.555 -6.233 1.00 1.00 H new ATOM 0 HB2 SER B 699 27.017 -8.422 -5.326 1.00 1.00 H new ATOM 0 HB3 SER B 699 25.966 -7.054 -5.022 1.00 1.00 H new ATOM 0 HG SER B 699 26.662 -8.232 -7.540 1.00 1.00 H new ATOM 939 N VAL B 700 29.289 -7.233 -3.969 1.00 1.00 N ATOM 940 CA VAL B 700 29.899 -7.106 -2.650 1.00 1.00 C ATOM 941 C VAL B 700 30.804 -5.879 -2.594 1.00 1.00 C ATOM 942 O VAL B 700 30.744 -5.096 -1.646 1.00 1.00 O ATOM 943 CB VAL B 700 30.725 -8.353 -2.330 1.00 1.00 C ATOM 944 CG1 VAL B 700 31.559 -8.101 -1.076 1.00 1.00 C ATOM 945 CG2 VAL B 700 29.791 -9.540 -2.082 1.00 1.00 C ATOM 0 H VAL B 700 29.528 -8.088 -4.471 1.00 1.00 H new ATOM 0 HA VAL B 700 29.101 -6.997 -1.915 1.00 1.00 H new ATOM 0 HB VAL B 700 31.381 -8.576 -3.171 1.00 1.00 H new ATOM 0 HG11 VAL B 700 32.148 -8.989 -0.846 1.00 1.00 H new ATOM 0 HG12 VAL B 700 32.227 -7.256 -1.247 1.00 1.00 H new ATOM 0 HG13 VAL B 700 30.898 -7.878 -0.238 1.00 1.00 H new ATOM 0 HG21 VAL B 700 30.382 -10.427 -1.854 1.00 1.00 H new ATOM 0 HG22 VAL B 700 29.134 -9.316 -1.242 1.00 1.00 H new ATOM 0 HG23 VAL B 700 29.191 -9.723 -2.973 1.00 1.00 H new ATOM 955 N MET B 701 31.638 -5.717 -3.615 1.00 1.00 N ATOM 956 CA MET B 701 32.547 -4.578 -3.669 1.00 1.00 C ATOM 957 C MET B 701 31.764 -3.272 -3.754 1.00 1.00 C ATOM 958 O MET B 701 32.117 -2.278 -3.116 1.00 1.00 O ATOM 959 CB MET B 701 33.470 -4.702 -4.883 1.00 1.00 C ATOM 960 CG MET B 701 34.531 -5.769 -4.610 1.00 1.00 C ATOM 961 SD MET B 701 35.557 -5.997 -6.085 1.00 1.00 S ATOM 962 CE MET B 701 36.406 -4.397 -6.042 1.00 1.00 C ATOM 0 H MET B 701 31.704 -6.353 -4.410 1.00 1.00 H new ATOM 0 HA MET B 701 33.145 -4.572 -2.758 1.00 1.00 H new ATOM 0 HB2 MET B 701 32.891 -4.967 -5.768 1.00 1.00 H new ATOM 0 HB3 MET B 701 33.947 -3.744 -5.090 1.00 1.00 H new ATOM 0 HG2 MET B 701 35.152 -5.471 -3.765 1.00 1.00 H new ATOM 0 HG3 MET B 701 34.053 -6.710 -4.338 1.00 1.00 H new ATOM 0 HE1 MET B 701 37.363 -4.479 -6.557 1.00 1.00 H new ATOM 0 HE2 MET B 701 35.791 -3.645 -6.537 1.00 1.00 H new ATOM 0 HE3 MET B 701 36.575 -4.103 -5.006 1.00 1.00 H new ATOM 972 N GLY B 702 30.704 -3.282 -4.553 1.00 1.00 N ATOM 973 CA GLY B 702 29.875 -2.095 -4.727 1.00 1.00 C ATOM 974 C GLY B 702 29.182 -1.702 -3.427 1.00 1.00 C ATOM 975 O GLY B 702 29.059 -0.518 -3.117 1.00 1.00 O ATOM 0 H GLY B 702 30.399 -4.095 -5.089 1.00 1.00 H new ATOM 0 HA2 GLY B 702 30.492 -1.267 -5.076 1.00 1.00 H new ATOM 0 HA3 GLY B 702 29.127 -2.282 -5.497 1.00 1.00 H new ATOM 979 N ALA B 703 28.719 -2.695 -2.676 1.00 1.00 N ATOM 980 CA ALA B 703 28.027 -2.423 -1.421 1.00 1.00 C ATOM 981 C ALA B 703 28.954 -1.735 -0.424 1.00 1.00 C ATOM 982 O ALA B 703 28.545 -0.806 0.271 1.00 1.00 O ATOM 983 CB ALA B 703 27.510 -3.731 -0.817 1.00 1.00 C ATOM 0 H ALA B 703 28.808 -3.684 -2.910 1.00 1.00 H new ATOM 0 HA ALA B 703 27.189 -1.759 -1.633 1.00 1.00 H new ATOM 0 HB1 ALA B 703 26.994 -3.520 0.120 1.00 1.00 H new ATOM 0 HB2 ALA B 703 26.818 -4.205 -1.513 1.00 1.00 H new ATOM 0 HB3 ALA B 703 28.349 -4.401 -0.627 1.00 1.00 H new ATOM 989 N ILE B 704 30.202 -2.186 -0.363 1.00 1.00 N ATOM 990 CA ILE B 704 31.168 -1.589 0.554 1.00 1.00 C ATOM 991 C ILE B 704 31.427 -0.136 0.172 1.00 1.00 C ATOM 992 O ILE B 704 31.501 0.741 1.033 1.00 1.00 O ATOM 993 CB ILE B 704 32.487 -2.367 0.531 1.00 1.00 C ATOM 994 CG1 ILE B 704 32.283 -3.781 1.114 1.00 1.00 C ATOM 995 CG2 ILE B 704 33.545 -1.610 1.342 1.00 1.00 C ATOM 996 CD1 ILE B 704 31.793 -3.729 2.572 1.00 1.00 C ATOM 0 H ILE B 704 30.566 -2.953 -0.929 1.00 1.00 H new ATOM 0 HA ILE B 704 30.752 -1.630 1.561 1.00 1.00 H new ATOM 0 HB ILE B 704 32.826 -2.463 -0.500 1.00 1.00 H new ATOM 0 HG12 ILE B 704 31.560 -4.325 0.506 1.00 1.00 H new ATOM 0 HG13 ILE B 704 33.221 -4.334 1.065 1.00 1.00 H new ATOM 0 HG21 ILE B 704 34.483 -2.165 1.324 1.00 1.00 H new ATOM 0 HG22 ILE B 704 33.700 -0.623 0.907 1.00 1.00 H new ATOM 0 HG23 ILE B 704 33.206 -1.503 2.372 1.00 1.00 H new ATOM 0 HD11 ILE B 704 31.661 -4.744 2.948 1.00 1.00 H new ATOM 0 HD12 ILE B 704 32.529 -3.208 3.185 1.00 1.00 H new ATOM 0 HD13 ILE B 704 30.842 -3.199 2.617 1.00 1.00 H new ATOM 1008 N LEU B 705 31.579 0.109 -1.126 1.00 1.00 N ATOM 1009 CA LEU B 705 31.846 1.456 -1.613 1.00 1.00 C ATOM 1010 C LEU B 705 30.690 2.387 -1.259 1.00 1.00 C ATOM 1011 O LEU B 705 30.908 3.523 -0.836 1.00 1.00 O ATOM 1012 CB LEU B 705 32.053 1.429 -3.134 1.00 1.00 C ATOM 1013 CG LEU B 705 32.335 2.844 -3.664 1.00 1.00 C ATOM 1014 CD1 LEU B 705 33.570 3.428 -2.971 1.00 1.00 C ATOM 1015 CD2 LEU B 705 32.590 2.774 -5.171 1.00 1.00 C ATOM 0 H LEU B 705 31.522 -0.603 -1.854 1.00 1.00 H new ATOM 0 HA LEU B 705 32.752 1.829 -1.136 1.00 1.00 H new ATOM 0 HB2 LEU B 705 32.884 0.769 -3.382 1.00 1.00 H new ATOM 0 HB3 LEU B 705 31.167 1.022 -3.620 1.00 1.00 H new ATOM 0 HG LEU B 705 31.475 3.481 -3.459 1.00 1.00 H new ATOM 0 HD11 LEU B 705 33.762 4.431 -3.353 1.00 1.00 H new ATOM 0 HD12 LEU B 705 33.395 3.477 -1.896 1.00 1.00 H new ATOM 0 HD13 LEU B 705 34.433 2.793 -3.170 1.00 1.00 H new ATOM 0 HD21 LEU B 705 32.791 3.775 -5.553 1.00 1.00 H new ATOM 0 HD22 LEU B 705 33.450 2.132 -5.365 1.00 1.00 H new ATOM 0 HD23 LEU B 705 31.712 2.365 -5.670 1.00 1.00 H new ATOM 1027 N LEU B 706 29.463 1.903 -1.420 1.00 1.00 N ATOM 1028 CA LEU B 706 28.296 2.715 -1.096 1.00 1.00 C ATOM 1029 C LEU B 706 28.306 3.057 0.390 1.00 1.00 C ATOM 1030 O LEU B 706 28.029 4.192 0.778 1.00 1.00 O ATOM 1031 CB LEU B 706 27.011 1.959 -1.443 1.00 1.00 C ATOM 1032 CG LEU B 706 26.875 1.845 -2.966 1.00 1.00 C ATOM 1033 CD1 LEU B 706 25.720 0.901 -3.304 1.00 1.00 C ATOM 1034 CD2 LEU B 706 26.604 3.224 -3.584 1.00 1.00 C ATOM 0 H LEU B 706 29.252 0.967 -1.767 1.00 1.00 H new ATOM 0 HA LEU B 706 28.332 3.634 -1.681 1.00 1.00 H new ATOM 0 HB2 LEU B 706 27.029 0.966 -0.994 1.00 1.00 H new ATOM 0 HB3 LEU B 706 26.148 2.480 -1.029 1.00 1.00 H new ATOM 0 HG LEU B 706 27.806 1.452 -3.374 1.00 1.00 H new ATOM 0 HD11 LEU B 706 25.622 0.819 -4.386 1.00 1.00 H new ATOM 0 HD12 LEU B 706 25.920 -0.084 -2.882 1.00 1.00 H new ATOM 0 HD13 LEU B 706 24.794 1.294 -2.885 1.00 1.00 H new ATOM 0 HD21 LEU B 706 26.510 3.126 -4.666 1.00 1.00 H new ATOM 0 HD22 LEU B 706 25.679 3.631 -3.175 1.00 1.00 H new ATOM 0 HD23 LEU B 706 27.430 3.896 -3.351 1.00 1.00 H new ATOM 1046 N ILE B 707 28.650 2.075 1.216 1.00 1.00 N ATOM 1047 CA ILE B 707 28.719 2.290 2.656 1.00 1.00 C ATOM 1048 C ILE B 707 29.804 3.312 2.975 1.00 1.00 C ATOM 1049 O ILE B 707 29.606 4.210 3.794 1.00 1.00 O ATOM 1050 CB ILE B 707 29.018 0.975 3.375 1.00 1.00 C ATOM 1051 CG1 ILE B 707 27.817 0.036 3.242 1.00 1.00 C ATOM 1052 CG2 ILE B 707 29.287 1.253 4.856 1.00 1.00 C ATOM 1053 CD1 ILE B 707 28.209 -1.369 3.706 1.00 1.00 C ATOM 0 H ILE B 707 28.884 1.129 0.916 1.00 1.00 H new ATOM 0 HA ILE B 707 27.756 2.668 3.001 1.00 1.00 H new ATOM 0 HB ILE B 707 29.895 0.508 2.928 1.00 1.00 H new ATOM 0 HG12 ILE B 707 26.984 0.408 3.839 1.00 1.00 H new ATOM 0 HG13 ILE B 707 27.479 0.007 2.206 1.00 1.00 H new ATOM 0 HG21 ILE B 707 29.500 0.315 5.369 1.00 1.00 H new ATOM 0 HG22 ILE B 707 30.143 1.922 4.951 1.00 1.00 H new ATOM 0 HG23 ILE B 707 28.410 1.720 5.304 1.00 1.00 H new ATOM 0 HD11 ILE B 707 27.352 -2.036 3.610 1.00 1.00 H new ATOM 0 HD12 ILE B 707 29.028 -1.740 3.090 1.00 1.00 H new ATOM 0 HD13 ILE B 707 28.526 -1.333 4.748 1.00 1.00 H new ATOM 1065 N GLY B 708 30.951 3.173 2.316 1.00 1.00 N ATOM 1066 CA GLY B 708 32.061 4.093 2.533 1.00 1.00 C ATOM 1067 C GLY B 708 31.651 5.515 2.165 1.00 1.00 C ATOM 1068 O GLY B 708 31.979 6.470 2.870 1.00 1.00 O ATOM 0 H GLY B 708 31.135 2.438 1.633 1.00 1.00 H new ATOM 0 HA2 GLY B 708 32.374 4.056 3.577 1.00 1.00 H new ATOM 0 HA3 GLY B 708 32.918 3.788 1.932 1.00 1.00 H new ATOM 1072 N LEU B 709 30.920 5.645 1.063 1.00 1.00 N ATOM 1073 CA LEU B 709 30.458 6.952 0.615 1.00 1.00 C ATOM 1074 C LEU B 709 29.520 7.567 1.652 1.00 1.00 C ATOM 1075 O LEU B 709 29.603 8.758 1.951 1.00 1.00 O ATOM 1076 CB LEU B 709 29.730 6.811 -0.729 1.00 1.00 C ATOM 1077 CG LEU B 709 29.215 8.176 -1.209 1.00 1.00 C ATOM 1078 CD1 LEU B 709 30.377 9.164 -1.328 1.00 1.00 C ATOM 1079 CD2 LEU B 709 28.554 8.010 -2.579 1.00 1.00 C ATOM 0 H LEU B 709 30.637 4.867 0.468 1.00 1.00 H new ATOM 0 HA LEU B 709 31.320 7.607 0.491 1.00 1.00 H new ATOM 0 HB2 LEU B 709 30.406 6.389 -1.473 1.00 1.00 H new ATOM 0 HB3 LEU B 709 28.896 6.117 -0.626 1.00 1.00 H new ATOM 0 HG LEU B 709 28.492 8.559 -0.489 1.00 1.00 H new ATOM 0 HD11 LEU B 709 30.001 10.129 -1.669 1.00 1.00 H new ATOM 0 HD12 LEU B 709 30.854 9.284 -0.355 1.00 1.00 H new ATOM 0 HD13 LEU B 709 31.105 8.785 -2.045 1.00 1.00 H new ATOM 0 HD21 LEU B 709 28.186 8.976 -2.925 1.00 1.00 H new ATOM 0 HD22 LEU B 709 29.284 7.623 -3.291 1.00 1.00 H new ATOM 0 HD23 LEU B 709 27.721 7.312 -2.499 1.00 1.00 H new ATOM 1091 N ALA B 710 28.627 6.745 2.197 1.00 1.00 N ATOM 1092 CA ALA B 710 27.678 7.219 3.198 1.00 1.00 C ATOM 1093 C ALA B 710 28.412 7.689 4.450 1.00 1.00 C ATOM 1094 O ALA B 710 28.039 8.690 5.062 1.00 1.00 O ATOM 1095 CB ALA B 710 26.701 6.101 3.564 1.00 1.00 C ATOM 0 H ALA B 710 28.541 5.756 1.964 1.00 1.00 H new ATOM 0 HA ALA B 710 27.124 8.059 2.778 1.00 1.00 H new ATOM 0 HB1 ALA B 710 25.996 6.464 4.312 1.00 1.00 H new ATOM 0 HB2 ALA B 710 26.156 5.788 2.673 1.00 1.00 H new ATOM 0 HB3 ALA B 710 27.254 5.253 3.968 1.00 1.00 H new ATOM 1101 N ALA B 711 29.461 6.963 4.823 1.00 1.00 N ATOM 1102 CA ALA B 711 30.240 7.325 6.001 1.00 1.00 C ATOM 1103 C ALA B 711 30.908 8.679 5.791 1.00 1.00 C ATOM 1104 O ALA B 711 30.986 9.495 6.710 1.00 1.00 O ATOM 1105 CB ALA B 711 31.307 6.262 6.271 1.00 1.00 C ATOM 0 H ALA B 711 29.788 6.130 4.333 1.00 1.00 H new ATOM 0 HA ALA B 711 29.570 7.386 6.858 1.00 1.00 H new ATOM 0 HB1 ALA B 711 31.884 6.541 7.153 1.00 1.00 H new ATOM 0 HB2 ALA B 711 30.826 5.299 6.442 1.00 1.00 H new ATOM 0 HB3 ALA B 711 31.972 6.188 5.411 1.00 1.00 H new ATOM 1111 N LEU B 712 31.381 8.911 4.571 1.00 1.00 N ATOM 1112 CA LEU B 712 32.034 10.169 4.238 1.00 1.00 C ATOM 1113 C LEU B 712 31.055 11.329 4.386 1.00 1.00 C ATOM 1114 O LEU B 712 31.405 12.388 4.907 1.00 1.00 O ATOM 1115 CB LEU B 712 32.566 10.114 2.798 1.00 1.00 C ATOM 1116 CG LEU B 712 33.238 11.440 2.419 1.00 1.00 C ATOM 1117 CD1 LEU B 712 34.372 11.751 3.398 1.00 1.00 C ATOM 1118 CD2 LEU B 712 33.811 11.330 1.004 1.00 1.00 C ATOM 0 H LEU B 712 31.324 8.246 3.800 1.00 1.00 H new ATOM 0 HA LEU B 712 32.867 10.325 4.923 1.00 1.00 H new ATOM 0 HB2 LEU B 712 33.281 9.297 2.700 1.00 1.00 H new ATOM 0 HB3 LEU B 712 31.747 9.906 2.110 1.00 1.00 H new ATOM 0 HG LEU B 712 32.499 12.240 2.460 1.00 1.00 H new ATOM 0 HD11 LEU B 712 34.843 12.694 3.121 1.00 1.00 H new ATOM 0 HD12 LEU B 712 33.970 11.829 4.408 1.00 1.00 H new ATOM 0 HD13 LEU B 712 35.112 10.952 3.363 1.00 1.00 H new ATOM 0 HD21 LEU B 712 34.289 12.271 0.731 1.00 1.00 H new ATOM 0 HD22 LEU B 712 34.546 10.526 0.971 1.00 1.00 H new ATOM 0 HD23 LEU B 712 33.006 11.115 0.301 1.00 1.00 H new ATOM 1130 N LEU B 713 29.828 11.122 3.922 1.00 1.00 N ATOM 1131 CA LEU B 713 28.805 12.158 4.003 1.00 1.00 C ATOM 1132 C LEU B 713 28.511 12.506 5.459 1.00 1.00 C ATOM 1133 O LEU B 713 28.384 13.677 5.812 1.00 1.00 O ATOM 1134 CB LEU B 713 27.521 11.676 3.313 1.00 1.00 C ATOM 1135 CG LEU B 713 26.424 12.747 3.406 1.00 1.00 C ATOM 1136 CD1 LEU B 713 26.914 14.056 2.783 1.00 1.00 C ATOM 1137 CD2 LEU B 713 25.185 12.262 2.650 1.00 1.00 C ATOM 0 H LEU B 713 29.519 10.252 3.488 1.00 1.00 H new ATOM 0 HA LEU B 713 29.173 13.052 3.499 1.00 1.00 H new ATOM 0 HB2 LEU B 713 27.727 11.448 2.267 1.00 1.00 H new ATOM 0 HB3 LEU B 713 27.176 10.753 3.778 1.00 1.00 H new ATOM 0 HG LEU B 713 26.179 12.920 4.454 1.00 1.00 H new ATOM 0 HD11 LEU B 713 26.129 14.809 2.854 1.00 1.00 H new ATOM 0 HD12 LEU B 713 27.799 14.403 3.316 1.00 1.00 H new ATOM 0 HD13 LEU B 713 27.163 13.889 1.735 1.00 1.00 H new ATOM 0 HD21 LEU B 713 24.402 13.018 2.712 1.00 1.00 H new ATOM 0 HD22 LEU B 713 25.441 12.090 1.605 1.00 1.00 H new ATOM 0 HD23 LEU B 713 24.828 11.333 3.094 1.00 1.00 H new ATOM 1149 N ILE B 714 28.413 11.483 6.302 1.00 1.00 N ATOM 1150 CA ILE B 714 28.141 11.702 7.720 1.00 1.00 C ATOM 1151 C ILE B 714 29.283 12.480 8.363 1.00 1.00 C ATOM 1152 O ILE B 714 29.058 13.411 9.137 1.00 1.00 O ATOM 1153 CB ILE B 714 27.969 10.359 8.432 1.00 1.00 C ATOM 1154 CG1 ILE B 714 26.685 9.685 7.942 1.00 1.00 C ATOM 1155 CG2 ILE B 714 27.880 10.589 9.943 1.00 1.00 C ATOM 1156 CD1 ILE B 714 26.648 8.237 8.436 1.00 1.00 C ATOM 0 H ILE B 714 28.516 10.504 6.033 1.00 1.00 H new ATOM 0 HA ILE B 714 27.222 12.280 7.813 1.00 1.00 H new ATOM 0 HB ILE B 714 28.823 9.719 8.213 1.00 1.00 H new ATOM 0 HG12 ILE B 714 25.814 10.228 8.309 1.00 1.00 H new ATOM 0 HG13 ILE B 714 26.641 9.710 6.853 1.00 1.00 H new ATOM 0 HG21 ILE B 714 27.757 9.632 10.450 1.00 1.00 H new ATOM 0 HG22 ILE B 714 28.793 11.070 10.292 1.00 1.00 H new ATOM 0 HG23 ILE B 714 27.026 11.229 10.164 1.00 1.00 H new ATOM 0 HD11 ILE B 714 25.734 7.757 8.087 1.00 1.00 H new ATOM 0 HD12 ILE B 714 27.512 7.698 8.048 1.00 1.00 H new ATOM 0 HD13 ILE B 714 26.672 8.224 9.526 1.00 1.00 H new ATOM 1168 N TRP B 715 30.508 12.091 8.031 1.00 1.00 N ATOM 1169 CA TRP B 715 31.686 12.756 8.571 1.00 1.00 C ATOM 1170 C TRP B 715 31.679 14.229 8.153 1.00 1.00 C ATOM 1171 O TRP B 715 31.973 15.120 8.949 1.00 1.00 O ATOM 1172 CB TRP B 715 32.949 12.071 8.038 1.00 1.00 C ATOM 1173 CG TRP B 715 34.084 12.191 9.018 1.00 1.00 C ATOM 1174 CD1 TRP B 715 34.220 13.148 9.971 1.00 1.00 C ATOM 1175 CD2 TRP B 715 35.249 11.322 9.150 1.00 1.00 C ATOM 1176 NE1 TRP B 715 35.391 12.919 10.670 1.00 1.00 N ATOM 1177 CE2 TRP B 715 36.060 11.807 10.202 1.00 1.00 C ATOM 1178 CE3 TRP B 715 35.675 10.172 8.461 1.00 1.00 C ATOM 1179 CZ2 TRP B 715 37.251 11.173 10.560 1.00 1.00 C ATOM 1180 CZ3 TRP B 715 36.872 9.531 8.818 1.00 1.00 C ATOM 1181 CH2 TRP B 715 37.659 10.031 9.866 1.00 1.00 C ATOM 0 H TRP B 715 30.711 11.321 7.393 1.00 1.00 H new ATOM 0 HA TRP B 715 31.674 12.692 9.659 1.00 1.00 H new ATOM 0 HB2 TRP B 715 32.742 11.019 7.844 1.00 1.00 H new ATOM 0 HB3 TRP B 715 33.236 12.520 7.087 1.00 1.00 H new ATOM 0 HD1 TRP B 715 33.527 13.956 10.153 1.00 1.00 H new ATOM 0 HE1 TRP B 715 35.721 13.502 11.439 1.00 1.00 H new ATOM 0 HE3 TRP B 715 35.077 9.779 7.652 1.00 1.00 H new ATOM 0 HZ2 TRP B 715 37.853 11.562 11.368 1.00 1.00 H new ATOM 0 HZ3 TRP B 715 37.189 8.648 8.283 1.00 1.00 H new ATOM 0 HH2 TRP B 715 38.579 9.534 10.136 1.00 1.00 H new ATOM 1192 N LYS B 716 31.341 14.470 6.886 1.00 1.00 N ATOM 1193 CA LYS B 716 31.304 15.831 6.353 1.00 1.00 C ATOM 1194 C LYS B 716 30.280 16.665 7.125 1.00 1.00 C ATOM 1195 O LYS B 716 30.524 17.821 7.457 1.00 1.00 O ATOM 1196 CB LYS B 716 30.904 15.789 4.865 1.00 1.00 C ATOM 1197 CG LYS B 716 32.100 16.122 3.946 1.00 1.00 C ATOM 1198 CD LYS B 716 32.162 17.629 3.645 1.00 1.00 C ATOM 1199 CE LYS B 716 32.587 18.404 4.893 1.00 1.00 C ATOM 1200 NZ LYS B 716 32.887 19.815 4.521 1.00 1.00 N ATOM 0 H LYS B 716 31.090 13.745 6.214 1.00 1.00 H new ATOM 0 HA LYS B 716 32.291 16.282 6.458 1.00 1.00 H new ATOM 0 HB2 LYS B 716 30.519 14.799 4.619 1.00 1.00 H new ATOM 0 HB3 LYS B 716 30.097 16.499 4.684 1.00 1.00 H new ATOM 0 HG2 LYS B 716 33.028 15.804 4.421 1.00 1.00 H new ATOM 0 HG3 LYS B 716 32.013 15.565 3.013 1.00 1.00 H new ATOM 0 HD2 LYS B 716 32.867 17.816 2.835 1.00 1.00 H new ATOM 0 HD3 LYS B 716 31.187 17.979 3.306 1.00 1.00 H new ATOM 0 HE2 LYS B 716 31.794 18.374 5.641 1.00 1.00 H new ATOM 0 HE3 LYS B 716 33.466 17.940 5.341 1.00 1.00 H new ATOM 0 HZ1 LYS B 716 33.176 20.344 5.369 1.00 1.00 H new ATOM 0 HZ2 LYS B 716 33.657 19.834 3.822 1.00 1.00 H new ATOM 0 HZ3 LYS B 716 32.038 20.254 4.112 1.00 1.00 H new ATOM 1214 N LEU B 717 29.133 16.072 7.415 1.00 1.00 N ATOM 1215 CA LEU B 717 28.102 16.788 8.152 1.00 1.00 C ATOM 1216 C LEU B 717 28.595 17.162 9.556 1.00 1.00 C ATOM 1217 O LEU B 717 28.354 18.270 10.027 1.00 1.00 O ATOM 1218 CB LEU B 717 26.839 15.921 8.264 1.00 1.00 C ATOM 1219 CG LEU B 717 26.171 15.789 6.885 1.00 1.00 C ATOM 1220 CD1 LEU B 717 25.051 14.746 6.949 1.00 1.00 C ATOM 1221 CD2 LEU B 717 25.580 17.136 6.450 1.00 1.00 C ATOM 0 H LEU B 717 28.894 15.114 7.157 1.00 1.00 H new ATOM 0 HA LEU B 717 27.868 17.704 7.609 1.00 1.00 H new ATOM 0 HB2 LEU B 717 27.098 14.934 8.648 1.00 1.00 H new ATOM 0 HB3 LEU B 717 26.143 16.367 8.974 1.00 1.00 H new ATOM 0 HG LEU B 717 26.924 15.476 6.162 1.00 1.00 H new ATOM 0 HD11 LEU B 717 24.581 14.656 5.970 1.00 1.00 H new ATOM 0 HD12 LEU B 717 25.468 13.782 7.241 1.00 1.00 H new ATOM 0 HD13 LEU B 717 24.306 15.056 7.682 1.00 1.00 H new ATOM 0 HD21 LEU B 717 25.110 17.028 5.472 1.00 1.00 H new ATOM 0 HD22 LEU B 717 24.835 17.458 7.177 1.00 1.00 H new ATOM 0 HD23 LEU B 717 26.375 17.880 6.391 1.00 1.00 H new ATOM 1233 N LEU B 718 29.276 16.229 10.223 1.00 1.00 N ATOM 1234 CA LEU B 718 29.770 16.477 11.582 1.00 1.00 C ATOM 1235 C LEU B 718 30.785 17.615 11.643 1.00 1.00 C ATOM 1236 O LEU B 718 30.697 18.474 12.519 1.00 1.00 O ATOM 1237 CB LEU B 718 30.402 15.203 12.142 1.00 1.00 C ATOM 1238 CG LEU B 718 30.916 15.452 13.565 1.00 1.00 C ATOM 1239 CD1 LEU B 718 30.618 14.218 14.416 1.00 1.00 C ATOM 1240 CD2 LEU B 718 32.434 15.688 13.547 1.00 1.00 C ATOM 0 H LEU B 718 29.497 15.305 9.852 1.00 1.00 H new ATOM 0 HA LEU B 718 28.911 16.774 12.184 1.00 1.00 H new ATOM 0 HB2 LEU B 718 29.669 14.396 12.148 1.00 1.00 H new ATOM 0 HB3 LEU B 718 31.223 14.883 11.501 1.00 1.00 H new ATOM 0 HG LEU B 718 30.422 16.332 13.978 1.00 1.00 H new ATOM 0 HD11 LEU B 718 30.978 14.381 15.432 1.00 1.00 H new ATOM 0 HD12 LEU B 718 29.543 14.041 14.436 1.00 1.00 H new ATOM 0 HD13 LEU B 718 31.120 13.351 13.988 1.00 1.00 H new ATOM 0 HD21 LEU B 718 32.787 15.864 14.563 1.00 1.00 H new ATOM 0 HD22 LEU B 718 32.934 14.811 13.136 1.00 1.00 H new ATOM 0 HD23 LEU B 718 32.660 16.557 12.929 1.00 1.00 H new ATOM 1252 N ILE B 719 31.744 17.641 10.725 1.00 1.00 N ATOM 1253 CA ILE B 719 32.730 18.715 10.738 1.00 1.00 C ATOM 1254 C ILE B 719 32.072 20.044 10.358 1.00 1.00 C ATOM 1255 O ILE B 719 32.398 21.090 10.920 1.00 1.00 O ATOM 1256 CB ILE B 719 33.914 18.406 9.813 1.00 1.00 C ATOM 1257 CG1 ILE B 719 35.007 19.454 10.018 1.00 1.00 C ATOM 1258 CG2 ILE B 719 33.474 18.431 8.354 1.00 1.00 C ATOM 1259 CD1 ILE B 719 36.295 18.993 9.330 1.00 1.00 C ATOM 0 H ILE B 719 31.860 16.952 9.982 1.00 1.00 H new ATOM 0 HA ILE B 719 33.124 18.797 11.751 1.00 1.00 H new ATOM 0 HB ILE B 719 34.293 17.413 10.055 1.00 1.00 H new ATOM 0 HG12 ILE B 719 34.687 20.413 9.609 1.00 1.00 H new ATOM 0 HG13 ILE B 719 35.185 19.605 11.083 1.00 1.00 H new ATOM 0 HG21 ILE B 719 34.327 18.210 7.713 1.00 1.00 H new ATOM 0 HG22 ILE B 719 32.697 17.683 8.195 1.00 1.00 H new ATOM 0 HG23 ILE B 719 33.083 19.418 8.109 1.00 1.00 H new ATOM 0 HD11 ILE B 719 37.074 19.741 9.477 1.00 1.00 H new ATOM 0 HD12 ILE B 719 36.617 18.044 9.759 1.00 1.00 H new ATOM 0 HD13 ILE B 719 36.112 18.865 8.263 1.00 1.00 H new ATOM 1271 N THR B 720 31.143 19.994 9.401 1.00 1.00 N ATOM 1272 CA THR B 720 30.448 21.199 8.937 1.00 1.00 C ATOM 1273 C THR B 720 29.721 21.891 10.095 1.00 1.00 C ATOM 1274 O THR B 720 29.731 23.110 10.191 1.00 1.00 O ATOM 1275 CB THR B 720 29.436 20.870 7.830 1.00 1.00 C ATOM 1276 OG1 THR B 720 30.112 20.310 6.707 1.00 1.00 O ATOM 1277 CG2 THR B 720 28.726 22.165 7.411 1.00 1.00 C ATOM 0 H THR B 720 30.854 19.135 8.933 1.00 1.00 H new ATOM 0 HA THR B 720 31.206 21.871 8.534 1.00 1.00 H new ATOM 0 HB THR B 720 28.708 20.148 8.199 1.00 1.00 H new ATOM 0 HG1 THR B 720 30.134 19.334 6.792 1.00 1.00 H new ATOM 0 HG21 THR B 720 28.004 21.946 6.625 1.00 1.00 H new ATOM 0 HG22 THR B 720 28.208 22.591 8.271 1.00 1.00 H new ATOM 0 HG23 THR B 720 29.461 22.879 7.040 1.00 1.00 H new ATOM 1285 N ILE B 721 29.076 21.115 10.954 1.00 1.00 N ATOM 1286 CA ILE B 721 28.352 21.674 12.098 1.00 1.00 C ATOM 1287 C ILE B 721 29.332 22.342 13.062 1.00 1.00 C ATOM 1288 O ILE B 721 29.066 23.407 13.622 1.00 1.00 O ATOM 1289 CB ILE B 721 27.569 20.586 12.821 1.00 1.00 C ATOM 1290 CG1 ILE B 721 26.470 20.066 11.884 1.00 1.00 C ATOM 1291 CG2 ILE B 721 26.929 21.200 14.078 1.00 1.00 C ATOM 1292 CD1 ILE B 721 25.869 18.787 12.459 1.00 1.00 C ATOM 0 H ILE B 721 29.036 20.098 10.885 1.00 1.00 H new ATOM 0 HA ILE B 721 27.648 22.421 11.730 1.00 1.00 H new ATOM 0 HB ILE B 721 28.225 19.763 13.106 1.00 1.00 H new ATOM 0 HG12 ILE B 721 25.694 20.822 11.763 1.00 1.00 H new ATOM 0 HG13 ILE B 721 26.884 19.872 10.894 1.00 1.00 H new ATOM 0 HG21 ILE B 721 26.363 20.435 14.609 1.00 1.00 H new ATOM 0 HG22 ILE B 721 27.710 21.592 14.730 1.00 1.00 H new ATOM 0 HG23 ILE B 721 26.259 22.009 13.787 1.00 1.00 H new ATOM 0 HD11 ILE B 721 25.089 18.420 11.792 1.00 1.00 H new ATOM 0 HD12 ILE B 721 26.648 18.031 12.557 1.00 1.00 H new ATOM 0 HD13 ILE B 721 25.440 18.995 13.439 1.00 1.00 H new ATOM 1304 N HIS B 722 30.461 21.678 13.276 1.00 1.00 N ATOM 1305 CA HIS B 722 31.488 22.183 14.172 1.00 1.00 C ATOM 1306 C HIS B 722 32.169 23.387 13.564 1.00 1.00 C ATOM 1307 O HIS B 722 32.568 24.322 14.258 1.00 1.00 O ATOM 1308 CB HIS B 722 32.538 21.114 14.474 1.00 1.00 C ATOM 1309 CG HIS B 722 32.013 20.150 15.508 1.00 1.00 C ATOM 1310 ND1 HIS B 722 31.191 19.088 15.184 1.00 1.00 N ATOM 1311 CD2 HIS B 722 32.227 20.059 16.867 1.00 1.00 C ATOM 1312 CE1 HIS B 722 30.943 18.406 16.316 1.00 1.00 C ATOM 1313 NE2 HIS B 722 31.547 18.956 17.372 1.00 1.00 N ATOM 0 H HIS B 722 30.687 20.785 12.838 1.00 1.00 H new ATOM 0 HA HIS B 722 30.999 22.467 15.104 1.00 1.00 H new ATOM 0 HB2 HIS B 722 32.794 20.576 13.561 1.00 1.00 H new ATOM 0 HB3 HIS B 722 33.453 21.584 14.835 1.00 1.00 H new ATOM 0 HD1 HIS B 722 30.837 18.862 14.255 1.00 1.00 H new ATOM 0 HD2 HIS B 722 32.830 20.740 17.450 1.00 1.00 H new ATOM 0 HE1 HIS B 722 30.329 17.519 16.365 1.00 1.00 H new ATOM 1321 N ASP B 723 32.301 23.343 12.253 1.00 1.00 N ATOM 1322 CA ASP B 723 32.932 24.424 11.531 1.00 1.00 C ATOM 1323 C ASP B 723 32.093 25.694 11.634 1.00 1.00 C ATOM 1324 O ASP B 723 32.620 26.787 11.815 1.00 1.00 O ATOM 1325 CB ASP B 723 33.119 24.040 10.063 1.00 1.00 C ATOM 1326 CG ASP B 723 33.827 25.165 9.312 1.00 1.00 C ATOM 1327 OD1 ASP B 723 34.080 26.188 9.922 1.00 1.00 O ATOM 1328 OD2 ASP B 723 34.129 24.972 8.145 1.00 1.00 O ATOM 0 H ASP B 723 31.980 22.571 11.669 1.00 1.00 H new ATOM 0 HA ASP B 723 33.909 24.613 11.975 1.00 1.00 H new ATOM 0 HB2 ASP B 723 33.701 23.121 9.991 1.00 1.00 H new ATOM 0 HB3 ASP B 723 32.150 23.840 9.605 1.00 1.00 H new