USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=7 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+ 172:sc= 0.845 (180deg=0) USER MOD Set 1.2: B 720 THR OG1 : rot -30:sc= -2! USER MOD Single : A 981 THR OG1 : rot 69:sc= 0.945 USER MOD Single : A 987 MET CE :methyl -149:sc= -0.392 (180deg=-2.02) 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 76:sc= 0.872 USER MOD Single : B 701 MET CE :methyl 155:sc= -0.112 (180deg=-0.844) USER MOD Single : B 722 HIS : no HE2:sc= 1.17 K(o=1.2,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 966 32.501 -19.093 -1.444 1.00 1.00 N ATOM 137 CA ILE A 966 32.322 -18.149 -0.345 1.00 1.00 C ATOM 138 C ILE A 966 33.586 -17.328 -0.086 1.00 1.00 C ATOM 139 O ILE A 966 33.516 -16.234 0.471 1.00 1.00 O ATOM 140 CB ILE A 966 31.922 -18.906 0.926 1.00 1.00 C ATOM 141 CG1 ILE A 966 33.006 -19.929 1.288 1.00 1.00 C ATOM 142 CG2 ILE A 966 30.598 -19.634 0.690 1.00 1.00 C ATOM 143 CD1 ILE A 966 32.681 -20.553 2.647 1.00 1.00 C ATOM 0 HA ILE A 966 31.531 -17.455 -0.628 1.00 1.00 H new ATOM 0 HB ILE A 966 31.810 -18.195 1.745 1.00 1.00 H new ATOM 0 HG12 ILE A 966 33.061 -20.704 0.523 1.00 1.00 H new ATOM 0 HG13 ILE A 966 33.982 -19.445 1.322 1.00 1.00 H new ATOM 0 HG21 ILE A 966 30.313 -20.173 1.594 1.00 1.00 H new ATOM 0 HG22 ILE A 966 29.824 -18.909 0.440 1.00 1.00 H new ATOM 0 HG23 ILE A 966 30.713 -20.340 -0.132 1.00 1.00 H new ATOM 0 HD11 ILE A 966 33.450 -21.281 2.907 1.00 1.00 H new ATOM 0 HD12 ILE A 966 32.648 -19.773 3.407 1.00 1.00 H new ATOM 0 HD13 ILE A 966 31.713 -21.051 2.596 1.00 1.00 H new ATOM 155 N TRP A 967 34.740 -17.852 -0.475 1.00 1.00 N ATOM 156 CA TRP A 967 35.988 -17.130 -0.258 1.00 1.00 C ATOM 157 C TRP A 967 36.004 -15.799 -1.013 1.00 1.00 C ATOM 158 O TRP A 967 36.534 -14.807 -0.514 1.00 1.00 O ATOM 159 CB TRP A 967 37.188 -17.969 -0.701 1.00 1.00 C ATOM 160 CG TRP A 967 37.408 -19.088 0.265 1.00 1.00 C ATOM 161 CD1 TRP A 967 37.225 -20.398 -0.010 1.00 1.00 C ATOM 162 CD2 TRP A 967 37.837 -19.018 1.657 1.00 1.00 C ATOM 163 NE1 TRP A 967 37.522 -21.139 1.119 1.00 1.00 N ATOM 164 CE2 TRP A 967 37.900 -20.334 2.174 1.00 1.00 C ATOM 165 CE3 TRP A 967 38.174 -17.952 2.510 1.00 1.00 C ATOM 166 CZ2 TRP A 967 38.285 -20.583 3.491 1.00 1.00 C ATOM 167 CZ3 TRP A 967 38.562 -18.200 3.838 1.00 1.00 C ATOM 168 CH2 TRP A 967 38.617 -19.513 4.327 1.00 1.00 C ATOM 0 H TRP A 967 34.840 -18.757 -0.934 1.00 1.00 H new ATOM 0 HA TRP A 967 36.058 -16.930 0.811 1.00 1.00 H new ATOM 0 HB2 TRP A 967 37.015 -18.368 -1.701 1.00 1.00 H new ATOM 0 HB3 TRP A 967 38.079 -17.344 -0.757 1.00 1.00 H new ATOM 0 HD1 TRP A 967 36.900 -20.801 -0.958 1.00 1.00 H new ATOM 0 HE1 TRP A 967 37.468 -22.156 1.166 1.00 1.00 H new ATOM 0 HE3 TRP A 967 38.134 -16.937 2.143 1.00 1.00 H new ATOM 0 HZ2 TRP A 967 38.326 -21.596 3.863 1.00 1.00 H new ATOM 0 HZ3 TRP A 967 38.819 -17.375 4.485 1.00 1.00 H new ATOM 0 HH2 TRP A 967 38.916 -19.697 5.348 1.00 1.00 H new ATOM 179 N TRP A 968 35.456 -15.785 -2.228 1.00 1.00 N ATOM 180 CA TRP A 968 35.461 -14.563 -3.034 1.00 1.00 C ATOM 181 C TRP A 968 34.694 -13.422 -2.365 1.00 1.00 C ATOM 182 O TRP A 968 35.195 -12.301 -2.286 1.00 1.00 O ATOM 183 CB TRP A 968 34.855 -14.842 -4.410 1.00 1.00 C ATOM 184 CG TRP A 968 35.787 -15.707 -5.198 1.00 1.00 C ATOM 185 CD1 TRP A 968 35.602 -17.022 -5.447 1.00 1.00 C ATOM 186 CD2 TRP A 968 37.043 -15.341 -5.839 1.00 1.00 C ATOM 187 NE1 TRP A 968 36.663 -17.488 -6.202 1.00 1.00 N ATOM 188 CE2 TRP A 968 37.577 -16.490 -6.468 1.00 1.00 C ATOM 189 CE3 TRP A 968 37.762 -14.136 -5.934 1.00 1.00 C ATOM 190 CZ2 TRP A 968 38.784 -16.445 -7.168 1.00 1.00 C ATOM 191 CZ3 TRP A 968 38.977 -14.088 -6.639 1.00 1.00 C ATOM 192 CH2 TRP A 968 39.487 -15.240 -7.254 1.00 1.00 C ATOM 0 H TRP A 968 35.011 -16.589 -2.670 1.00 1.00 H new ATOM 0 HA TRP A 968 36.500 -14.251 -3.136 1.00 1.00 H new ATOM 0 HB2 TRP A 968 33.889 -15.335 -4.301 1.00 1.00 H new ATOM 0 HB3 TRP A 968 34.677 -13.905 -4.938 1.00 1.00 H new ATOM 0 HD1 TRP A 968 34.763 -17.613 -5.111 1.00 1.00 H new ATOM 0 HE1 TRP A 968 36.758 -18.452 -6.523 1.00 1.00 H new ATOM 0 HE3 TRP A 968 37.379 -13.243 -5.463 1.00 1.00 H new ATOM 0 HZ2 TRP A 968 39.172 -17.336 -7.640 1.00 1.00 H new ATOM 0 HZ3 TRP A 968 39.521 -13.158 -6.707 1.00 1.00 H new ATOM 0 HH2 TRP A 968 40.422 -15.196 -7.793 1.00 1.00 H new ATOM 203 N VAL A 969 33.488 -13.700 -1.878 1.00 1.00 N ATOM 204 CA VAL A 969 32.701 -12.660 -1.221 1.00 1.00 C ATOM 205 C VAL A 969 33.361 -12.242 0.090 1.00 1.00 C ATOM 206 O VAL A 969 33.332 -11.070 0.466 1.00 1.00 O ATOM 207 CB VAL A 969 31.259 -13.127 -0.986 1.00 1.00 C ATOM 208 CG1 VAL A 969 31.234 -14.339 -0.057 1.00 1.00 C ATOM 209 CG2 VAL A 969 30.452 -11.986 -0.360 1.00 1.00 C ATOM 0 H VAL A 969 33.041 -14.616 -1.923 1.00 1.00 H new ATOM 0 HA VAL A 969 32.664 -11.791 -1.879 1.00 1.00 H new ATOM 0 HB VAL A 969 30.820 -13.410 -1.942 1.00 1.00 H new ATOM 0 HG11 VAL A 969 30.203 -14.657 0.099 1.00 1.00 H new ATOM 0 HG12 VAL A 969 31.801 -15.154 -0.507 1.00 1.00 H new ATOM 0 HG13 VAL A 969 31.680 -14.072 0.901 1.00 1.00 H new ATOM 0 HG21 VAL A 969 29.427 -12.315 -0.192 1.00 1.00 H new ATOM 0 HG22 VAL A 969 30.902 -11.701 0.591 1.00 1.00 H new ATOM 0 HG23 VAL A 969 30.452 -11.128 -1.033 1.00 1.00 H new ATOM 219 N LEU A 970 33.962 -13.213 0.776 1.00 1.00 N ATOM 220 CA LEU A 970 34.638 -12.947 2.043 1.00 1.00 C ATOM 221 C LEU A 970 35.801 -11.982 1.823 1.00 1.00 C ATOM 222 O LEU A 970 36.029 -11.067 2.612 1.00 1.00 O ATOM 223 CB LEU A 970 35.155 -14.262 2.641 1.00 1.00 C ATOM 224 CG LEU A 970 35.888 -14.001 3.964 1.00 1.00 C ATOM 225 CD1 LEU A 970 34.954 -13.294 4.949 1.00 1.00 C ATOM 226 CD2 LEU A 970 36.334 -15.335 4.565 1.00 1.00 C ATOM 0 H LEU A 970 33.994 -14.187 0.476 1.00 1.00 H new ATOM 0 HA LEU A 970 33.930 -12.493 2.736 1.00 1.00 H new ATOM 0 HB2 LEU A 970 34.322 -14.944 2.809 1.00 1.00 H new ATOM 0 HB3 LEU A 970 35.828 -14.749 1.936 1.00 1.00 H new ATOM 0 HG LEU A 970 36.755 -13.369 3.774 1.00 1.00 H new ATOM 0 HD11 LEU A 970 35.482 -13.113 5.885 1.00 1.00 H new ATOM 0 HD12 LEU A 970 34.630 -12.343 4.525 1.00 1.00 H new ATOM 0 HD13 LEU A 970 34.083 -13.922 5.139 1.00 1.00 H new ATOM 0 HD21 LEU A 970 36.855 -15.154 5.505 1.00 1.00 H new ATOM 0 HD22 LEU A 970 35.461 -15.961 4.749 1.00 1.00 H new ATOM 0 HD23 LEU A 970 37.004 -15.841 3.870 1.00 1.00 H new ATOM 238 N VAL A 971 36.539 -12.205 0.745 1.00 1.00 N ATOM 239 CA VAL A 971 37.680 -11.362 0.416 1.00 1.00 C ATOM 240 C VAL A 971 37.237 -9.929 0.115 1.00 1.00 C ATOM 241 O VAL A 971 37.877 -8.970 0.547 1.00 1.00 O ATOM 242 CB VAL A 971 38.417 -11.932 -0.796 1.00 1.00 C ATOM 243 CG1 VAL A 971 39.491 -10.943 -1.253 1.00 1.00 C ATOM 244 CG2 VAL A 971 39.077 -13.259 -0.414 1.00 1.00 C ATOM 0 H VAL A 971 36.368 -12.962 0.083 1.00 1.00 H new ATOM 0 HA VAL A 971 38.347 -11.345 1.278 1.00 1.00 H new ATOM 0 HB VAL A 971 37.707 -12.098 -1.607 1.00 1.00 H new ATOM 0 HG11 VAL A 971 40.016 -11.350 -2.117 1.00 1.00 H new ATOM 0 HG12 VAL A 971 39.023 -9.997 -1.525 1.00 1.00 H new ATOM 0 HG13 VAL A 971 40.201 -10.776 -0.443 1.00 1.00 H new ATOM 0 HG21 VAL A 971 39.603 -13.666 -1.278 1.00 1.00 H new ATOM 0 HG22 VAL A 971 39.786 -13.093 0.397 1.00 1.00 H new ATOM 0 HG23 VAL A 971 38.313 -13.965 -0.089 1.00 1.00 H new ATOM 254 N GLY A 972 36.160 -9.792 -0.655 1.00 1.00 N ATOM 255 CA GLY A 972 35.667 -8.470 -1.037 1.00 1.00 C ATOM 256 C GLY A 972 35.282 -7.616 0.172 1.00 1.00 C ATOM 257 O GLY A 972 35.609 -6.431 0.221 1.00 1.00 O ATOM 0 H GLY A 972 35.616 -10.572 -1.024 1.00 1.00 H new ATOM 0 HA2 GLY A 972 36.434 -7.953 -1.614 1.00 1.00 H new ATOM 0 HA3 GLY A 972 34.800 -8.583 -1.688 1.00 1.00 H new ATOM 261 N VAL A 973 34.600 -8.205 1.150 1.00 1.00 N ATOM 262 CA VAL A 973 34.209 -7.442 2.333 1.00 1.00 C ATOM 263 C VAL A 973 35.446 -7.001 3.115 1.00 1.00 C ATOM 264 O VAL A 973 35.508 -5.873 3.603 1.00 1.00 O ATOM 265 CB VAL A 973 33.258 -8.247 3.226 1.00 1.00 C ATOM 266 CG1 VAL A 973 31.914 -8.407 2.517 1.00 1.00 C ATOM 267 CG2 VAL A 973 33.842 -9.629 3.496 1.00 1.00 C ATOM 0 H VAL A 973 34.312 -9.183 1.150 1.00 1.00 H new ATOM 0 HA VAL A 973 33.674 -6.553 2.000 1.00 1.00 H new ATOM 0 HB VAL A 973 33.124 -7.719 4.170 1.00 1.00 H new ATOM 0 HG11 VAL A 973 31.235 -8.979 3.149 1.00 1.00 H new ATOM 0 HG12 VAL A 973 31.486 -7.424 2.322 1.00 1.00 H new ATOM 0 HG13 VAL A 973 32.061 -8.933 1.573 1.00 1.00 H new ATOM 0 HG21 VAL A 973 33.160 -10.194 4.131 1.00 1.00 H new ATOM 0 HG22 VAL A 973 33.980 -10.156 2.552 1.00 1.00 H new ATOM 0 HG23 VAL A 973 34.804 -9.526 3.998 1.00 1.00 H new ATOM 277 N LEU A 974 36.435 -7.886 3.215 1.00 1.00 N ATOM 278 CA LEU A 974 37.668 -7.556 3.926 1.00 1.00 C ATOM 279 C LEU A 974 38.375 -6.399 3.226 1.00 1.00 C ATOM 280 O LEU A 974 38.892 -5.488 3.872 1.00 1.00 O ATOM 281 CB LEU A 974 38.599 -8.772 3.972 1.00 1.00 C ATOM 282 CG LEU A 974 38.011 -9.845 4.894 1.00 1.00 C ATOM 283 CD1 LEU A 974 38.832 -11.129 4.766 1.00 1.00 C ATOM 284 CD2 LEU A 974 38.036 -9.368 6.354 1.00 1.00 C ATOM 0 H LEU A 974 36.409 -8.825 2.818 1.00 1.00 H new ATOM 0 HA LEU A 974 37.415 -7.265 4.946 1.00 1.00 H new ATOM 0 HB2 LEU A 974 38.733 -9.176 2.969 1.00 1.00 H new ATOM 0 HB3 LEU A 974 39.584 -8.473 4.330 1.00 1.00 H new ATOM 0 HG LEU A 974 36.978 -10.034 4.602 1.00 1.00 H new ATOM 0 HD11 LEU A 974 38.415 -11.894 5.421 1.00 1.00 H new ATOM 0 HD12 LEU A 974 38.801 -11.479 3.734 1.00 1.00 H new ATOM 0 HD13 LEU A 974 39.865 -10.930 5.051 1.00 1.00 H new ATOM 0 HD21 LEU A 974 37.615 -10.141 6.997 1.00 1.00 H new ATOM 0 HD22 LEU A 974 39.065 -9.167 6.654 1.00 1.00 H new ATOM 0 HD23 LEU A 974 37.446 -8.456 6.449 1.00 1.00 H new ATOM 296 N GLY A 975 38.385 -6.448 1.898 1.00 1.00 N ATOM 297 CA GLY A 975 39.019 -5.408 1.096 1.00 1.00 C ATOM 298 C GLY A 975 38.341 -4.060 1.320 1.00 1.00 C ATOM 299 O GLY A 975 38.957 -3.009 1.148 1.00 1.00 O ATOM 0 H GLY A 975 37.960 -7.199 1.353 1.00 1.00 H new ATOM 0 HA2 GLY A 975 40.075 -5.336 1.355 1.00 1.00 H new ATOM 0 HA3 GLY A 975 38.967 -5.675 0.040 1.00 1.00 H new ATOM 303 N GLY A 976 37.066 -4.097 1.694 1.00 1.00 N ATOM 304 CA GLY A 976 36.316 -2.871 1.927 1.00 1.00 C ATOM 305 C GLY A 976 36.971 -2.037 3.017 1.00 1.00 C ATOM 306 O GLY A 976 37.055 -0.814 2.911 1.00 1.00 O ATOM 0 H GLY A 976 36.535 -4.956 1.841 1.00 1.00 H new ATOM 0 HA2 GLY A 976 36.260 -2.293 1.005 1.00 1.00 H new ATOM 0 HA3 GLY A 976 35.293 -3.114 2.214 1.00 1.00 H new ATOM 310 N LEU A 977 37.441 -2.702 4.063 1.00 1.00 N ATOM 311 CA LEU A 977 38.092 -1.999 5.160 1.00 1.00 C ATOM 312 C LEU A 977 39.348 -1.300 4.658 1.00 1.00 C ATOM 313 O LEU A 977 39.621 -0.157 5.019 1.00 1.00 O ATOM 314 CB LEU A 977 38.458 -2.987 6.270 1.00 1.00 C ATOM 315 CG LEU A 977 39.168 -2.262 7.426 1.00 1.00 C ATOM 316 CD1 LEU A 977 38.278 -1.145 7.976 1.00 1.00 C ATOM 317 CD2 LEU A 977 39.462 -3.265 8.542 1.00 1.00 C ATOM 0 H LEU A 977 37.385 -3.714 4.175 1.00 1.00 H new ATOM 0 HA LEU A 977 37.404 -1.253 5.559 1.00 1.00 H new ATOM 0 HB2 LEU A 977 37.557 -3.478 6.639 1.00 1.00 H new ATOM 0 HB3 LEU A 977 39.105 -3.768 5.871 1.00 1.00 H new ATOM 0 HG LEU A 977 40.097 -1.828 7.057 1.00 1.00 H new ATOM 0 HD11 LEU A 977 38.792 -0.640 8.794 1.00 1.00 H new ATOM 0 HD12 LEU A 977 38.063 -0.428 7.184 1.00 1.00 H new ATOM 0 HD13 LEU A 977 37.344 -1.571 8.343 1.00 1.00 H new ATOM 0 HD21 LEU A 977 39.965 -2.757 9.365 1.00 1.00 H new ATOM 0 HD22 LEU A 977 38.527 -3.696 8.900 1.00 1.00 H new ATOM 0 HD23 LEU A 977 40.104 -4.058 8.159 1.00 1.00 H new ATOM 329 N LEU A 978 40.104 -1.996 3.821 1.00 1.00 N ATOM 330 CA LEU A 978 41.334 -1.438 3.264 1.00 1.00 C ATOM 331 C LEU A 978 41.032 -0.216 2.399 1.00 1.00 C ATOM 332 O LEU A 978 41.749 0.776 2.447 1.00 1.00 O ATOM 333 CB LEU A 978 42.056 -2.492 2.418 1.00 1.00 C ATOM 334 CG LEU A 978 42.872 -3.414 3.329 1.00 1.00 C ATOM 335 CD1 LEU A 978 41.939 -4.132 4.306 1.00 1.00 C ATOM 336 CD2 LEU A 978 43.613 -4.449 2.476 1.00 1.00 C ATOM 0 H LEU A 978 39.891 -2.944 3.512 1.00 1.00 H new ATOM 0 HA LEU A 978 41.973 -1.135 4.093 1.00 1.00 H new ATOM 0 HB2 LEU A 978 41.331 -3.075 1.850 1.00 1.00 H new ATOM 0 HB3 LEU A 978 42.711 -2.006 1.695 1.00 1.00 H new ATOM 0 HG LEU A 978 43.593 -2.820 3.890 1.00 1.00 H new ATOM 0 HD11 LEU A 978 42.523 -4.787 4.952 1.00 1.00 H new ATOM 0 HD12 LEU A 978 41.414 -3.396 4.915 1.00 1.00 H new ATOM 0 HD13 LEU A 978 41.215 -4.725 3.748 1.00 1.00 H new ATOM 0 HD21 LEU A 978 44.194 -5.106 3.124 1.00 1.00 H new ATOM 0 HD22 LEU A 978 42.891 -5.041 1.913 1.00 1.00 H new ATOM 0 HD23 LEU A 978 44.282 -3.938 1.783 1.00 1.00 H new ATOM 348 N LEU A 979 39.968 -0.302 1.605 1.00 1.00 N ATOM 349 CA LEU A 979 39.585 0.800 0.721 1.00 1.00 C ATOM 350 C LEU A 979 39.228 2.046 1.530 1.00 1.00 C ATOM 351 O LEU A 979 39.600 3.164 1.167 1.00 1.00 O ATOM 352 CB LEU A 979 38.377 0.389 -0.130 1.00 1.00 C ATOM 353 CG LEU A 979 38.792 -0.678 -1.153 1.00 1.00 C ATOM 354 CD1 LEU A 979 37.549 -1.269 -1.822 1.00 1.00 C ATOM 355 CD2 LEU A 979 39.687 -0.058 -2.229 1.00 1.00 C ATOM 0 H LEU A 979 39.357 -1.118 1.554 1.00 1.00 H new ATOM 0 HA LEU A 979 40.433 1.029 0.075 1.00 1.00 H new ATOM 0 HB2 LEU A 979 37.586 0.001 0.511 1.00 1.00 H new ATOM 0 HB3 LEU A 979 37.972 1.260 -0.645 1.00 1.00 H new ATOM 0 HG LEU A 979 39.340 -1.463 -0.632 1.00 1.00 H new ATOM 0 HD11 LEU A 979 37.851 -2.025 -2.547 1.00 1.00 H new ATOM 0 HD12 LEU A 979 36.911 -1.725 -1.065 1.00 1.00 H new ATOM 0 HD13 LEU A 979 36.999 -0.478 -2.331 1.00 1.00 H new ATOM 0 HD21 LEU A 979 39.975 -0.824 -2.949 1.00 1.00 H new ATOM 0 HD22 LEU A 979 39.143 0.735 -2.742 1.00 1.00 H new ATOM 0 HD23 LEU A 979 40.581 0.357 -1.764 1.00 1.00 H new ATOM 367 N LEU A 980 38.495 1.840 2.622 1.00 1.00 N ATOM 368 CA LEU A 980 38.084 2.946 3.496 1.00 1.00 C ATOM 369 C LEU A 980 39.332 3.554 4.170 1.00 1.00 C ATOM 370 O LEU A 980 39.485 4.774 4.342 1.00 1.00 O ATOM 371 CB LEU A 980 37.095 2.414 4.559 1.00 1.00 C ATOM 372 CG LEU A 980 36.546 3.577 5.398 1.00 1.00 C ATOM 373 CD1 LEU A 980 35.754 4.545 4.507 1.00 1.00 C ATOM 374 CD2 LEU A 980 35.632 3.037 6.506 1.00 1.00 C ATOM 0 H LEU A 980 38.172 0.921 2.926 1.00 1.00 H new ATOM 0 HA LEU A 980 37.589 3.722 2.912 1.00 1.00 H new ATOM 0 HB2 LEU A 980 36.274 1.887 4.072 1.00 1.00 H new ATOM 0 HB3 LEU A 980 37.597 1.694 5.206 1.00 1.00 H new ATOM 0 HG LEU A 980 37.384 4.109 5.848 1.00 1.00 H new ATOM 0 HD11 LEU A 980 35.370 5.365 5.113 1.00 1.00 H new ATOM 0 HD12 LEU A 980 36.408 4.943 3.731 1.00 1.00 H new ATOM 0 HD13 LEU A 980 34.922 4.015 4.044 1.00 1.00 H new ATOM 0 HD21 LEU A 980 35.246 3.868 7.097 1.00 1.00 H new ATOM 0 HD22 LEU A 980 34.800 2.493 6.059 1.00 1.00 H new ATOM 0 HD23 LEU A 980 36.199 2.366 7.151 1.00 1.00 H new ATOM 386 N THR A 981 40.243 2.682 4.565 1.00 1.00 N ATOM 387 CA THR A 981 41.460 3.166 5.227 1.00 1.00 C ATOM 388 C THR A 981 42.313 4.023 4.282 1.00 1.00 C ATOM 389 O THR A 981 42.811 5.083 4.656 1.00 1.00 O ATOM 390 CB THR A 981 42.287 2.019 5.789 1.00 1.00 C ATOM 391 OG1 THR A 981 41.486 1.219 6.661 1.00 1.00 O ATOM 392 CG2 THR A 981 43.471 2.585 6.555 1.00 1.00 C ATOM 0 H THR A 981 40.178 1.671 4.449 1.00 1.00 H new ATOM 0 HA THR A 981 41.138 3.792 6.059 1.00 1.00 H new ATOM 0 HB THR A 981 42.644 1.396 4.969 1.00 1.00 H new ATOM 0 HG1 THR A 981 40.813 0.737 6.137 1.00 1.00 H new ATOM 0 HG21 THR A 981 44.067 1.767 6.960 1.00 1.00 H new ATOM 0 HG22 THR A 981 44.086 3.184 5.884 1.00 1.00 H new ATOM 0 HG23 THR A 981 43.111 3.210 7.372 1.00 1.00 H new ATOM 400 N ILE A 982 42.472 3.557 3.050 1.00 1.00 N ATOM 401 CA ILE A 982 43.267 4.284 2.065 1.00 1.00 C ATOM 402 C ILE A 982 42.649 5.653 1.788 1.00 1.00 C ATOM 403 O ILE A 982 43.360 6.648 1.742 1.00 1.00 O ATOM 404 CB ILE A 982 43.334 3.486 0.765 1.00 1.00 C ATOM 405 CG1 ILE A 982 44.152 2.212 1.009 1.00 1.00 C ATOM 406 CG2 ILE A 982 44.003 4.339 -0.319 1.00 1.00 C ATOM 407 CD1 ILE A 982 44.038 1.271 -0.190 1.00 1.00 C ATOM 0 H ILE A 982 42.065 2.686 2.709 1.00 1.00 H new ATOM 0 HA ILE A 982 44.272 4.422 2.463 1.00 1.00 H new ATOM 0 HB ILE A 982 42.330 3.217 0.436 1.00 1.00 H new ATOM 0 HG12 ILE A 982 45.197 2.470 1.180 1.00 1.00 H new ATOM 0 HG13 ILE A 982 43.797 1.710 1.909 1.00 1.00 H new ATOM 0 HG21 ILE A 982 44.053 3.772 -1.249 1.00 1.00 H new ATOM 0 HG22 ILE A 982 43.421 5.247 -0.478 1.00 1.00 H new ATOM 0 HG23 ILE A 982 45.011 4.605 -0.002 1.00 1.00 H new ATOM 0 HD11 ILE A 982 44.624 0.371 -0.003 1.00 1.00 H new ATOM 0 HD12 ILE A 982 42.993 0.999 -0.341 1.00 1.00 H new ATOM 0 HD13 ILE A 982 44.416 1.771 -1.082 1.00 1.00 H new ATOM 419 N LEU A 983 41.328 5.704 1.607 1.00 1.00 N ATOM 420 CA LEU A 983 40.650 6.975 1.353 1.00 1.00 C ATOM 421 C LEU A 983 40.806 7.903 2.556 1.00 1.00 C ATOM 422 O LEU A 983 41.033 9.100 2.412 1.00 1.00 O ATOM 423 CB LEU A 983 39.165 6.728 1.083 1.00 1.00 C ATOM 424 CG LEU A 983 38.988 6.006 -0.259 1.00 1.00 C ATOM 425 CD1 LEU A 983 37.527 5.582 -0.421 1.00 1.00 C ATOM 426 CD2 LEU A 983 39.372 6.931 -1.418 1.00 1.00 C ATOM 0 H LEU A 983 40.713 4.890 1.631 1.00 1.00 H new ATOM 0 HA LEU A 983 41.101 7.446 0.479 1.00 1.00 H new ATOM 0 HB2 LEU A 983 38.736 6.130 1.887 1.00 1.00 H new ATOM 0 HB3 LEU A 983 38.627 7.676 1.069 1.00 1.00 H new ATOM 0 HG LEU A 983 39.636 5.129 -0.272 1.00 1.00 H new ATOM 0 HD11 LEU A 983 37.401 5.069 -1.374 1.00 1.00 H new ATOM 0 HD12 LEU A 983 37.251 4.910 0.392 1.00 1.00 H new ATOM 0 HD13 LEU A 983 36.887 6.464 -0.396 1.00 1.00 H new ATOM 0 HD21 LEU A 983 39.241 6.404 -2.363 1.00 1.00 H new ATOM 0 HD22 LEU A 983 38.735 7.815 -1.404 1.00 1.00 H new ATOM 0 HD23 LEU A 983 40.414 7.233 -1.313 1.00 1.00 H new ATOM 438 N VAL A 984 40.672 7.330 3.744 1.00 1.00 N ATOM 439 CA VAL A 984 40.789 8.096 4.984 1.00 1.00 C ATOM 440 C VAL A 984 42.202 8.655 5.143 1.00 1.00 C ATOM 441 O VAL A 984 42.389 9.809 5.533 1.00 1.00 O ATOM 442 CB VAL A 984 40.455 7.209 6.186 1.00 1.00 C ATOM 443 CG1 VAL A 984 40.782 7.961 7.479 1.00 1.00 C ATOM 444 CG2 VAL A 984 38.964 6.845 6.154 1.00 1.00 C ATOM 0 H VAL A 984 40.482 6.337 3.879 1.00 1.00 H new ATOM 0 HA VAL A 984 40.084 8.926 4.938 1.00 1.00 H new ATOM 0 HB VAL A 984 41.047 6.295 6.144 1.00 1.00 H new ATOM 0 HG11 VAL A 984 40.545 7.331 8.336 1.00 1.00 H new ATOM 0 HG12 VAL A 984 41.843 8.212 7.496 1.00 1.00 H new ATOM 0 HG13 VAL A 984 40.192 8.876 7.527 1.00 1.00 H new ATOM 0 HG21 VAL A 984 38.725 6.213 7.010 1.00 1.00 H new ATOM 0 HG22 VAL A 984 38.366 7.755 6.197 1.00 1.00 H new ATOM 0 HG23 VAL A 984 38.740 6.307 5.233 1.00 1.00 H new ATOM 454 N LEU A 985 43.201 7.820 4.851 1.00 1.00 N ATOM 455 CA LEU A 985 44.595 8.240 4.991 1.00 1.00 C ATOM 456 C LEU A 985 44.904 9.421 4.071 1.00 1.00 C ATOM 457 O LEU A 985 45.551 10.380 4.490 1.00 1.00 O ATOM 458 CB LEU A 985 45.522 7.060 4.658 1.00 1.00 C ATOM 459 CG LEU A 985 46.996 7.476 4.761 1.00 1.00 C ATOM 460 CD1 LEU A 985 47.294 8.013 6.159 1.00 1.00 C ATOM 461 CD2 LEU A 985 47.887 6.259 4.493 1.00 1.00 C ATOM 0 H LEU A 985 43.074 6.863 4.521 1.00 1.00 H new ATOM 0 HA LEU A 985 44.761 8.558 6.020 1.00 1.00 H new ATOM 0 HB2 LEU A 985 45.325 6.233 5.341 1.00 1.00 H new ATOM 0 HB3 LEU A 985 45.311 6.699 3.651 1.00 1.00 H new ATOM 0 HG LEU A 985 47.196 8.255 4.026 1.00 1.00 H new ATOM 0 HD11 LEU A 985 48.342 8.305 6.221 1.00 1.00 H new ATOM 0 HD12 LEU A 985 46.664 8.880 6.358 1.00 1.00 H new ATOM 0 HD13 LEU A 985 47.089 7.238 6.898 1.00 1.00 H new ATOM 0 HD21 LEU A 985 48.934 6.552 4.566 1.00 1.00 H new ATOM 0 HD22 LEU A 985 47.675 5.484 5.229 1.00 1.00 H new ATOM 0 HD23 LEU A 985 47.686 5.874 3.493 1.00 1.00 H new ATOM 473 N ALA A 986 44.435 9.362 2.827 1.00 1.00 N ATOM 474 CA ALA A 986 44.686 10.459 1.893 1.00 1.00 C ATOM 475 C ALA A 986 44.041 11.750 2.393 1.00 1.00 C ATOM 476 O ALA A 986 44.654 12.819 2.349 1.00 1.00 O ATOM 477 CB ALA A 986 44.128 10.112 0.512 1.00 1.00 C ATOM 0 H ALA A 986 43.892 8.587 2.448 1.00 1.00 H new ATOM 0 HA ALA A 986 45.764 10.607 1.822 1.00 1.00 H new ATOM 0 HB1 ALA A 986 44.320 10.936 -0.176 1.00 1.00 H new ATOM 0 HB2 ALA A 986 44.612 9.209 0.141 1.00 1.00 H new ATOM 0 HB3 ALA A 986 43.054 9.944 0.585 1.00 1.00 H new ATOM 483 N MET A 987 42.804 11.644 2.870 1.00 1.00 N ATOM 484 CA MET A 987 42.087 12.805 3.384 1.00 1.00 C ATOM 485 C MET A 987 42.747 13.334 4.659 1.00 1.00 C ATOM 486 O MET A 987 42.858 14.542 4.862 1.00 1.00 O ATOM 487 CB MET A 987 40.632 12.429 3.664 1.00 1.00 C ATOM 488 CG MET A 987 39.908 12.094 2.352 1.00 1.00 C ATOM 489 SD MET A 987 39.859 13.549 1.267 1.00 1.00 S ATOM 490 CE MET A 987 38.662 14.524 2.216 1.00 1.00 C ATOM 0 H MET A 987 42.280 10.770 2.911 1.00 1.00 H new ATOM 0 HA MET A 987 42.120 13.594 2.632 1.00 1.00 H new ATOM 0 HB2 MET A 987 40.593 11.573 4.338 1.00 1.00 H new ATOM 0 HB3 MET A 987 40.126 13.253 4.167 1.00 1.00 H new ATOM 0 HG2 MET A 987 40.418 11.273 1.847 1.00 1.00 H new ATOM 0 HG3 MET A 987 38.894 11.757 2.565 1.00 1.00 H new ATOM 0 HE1 MET A 987 38.082 15.149 1.537 1.00 1.00 H new ATOM 0 HE2 MET A 987 37.992 13.854 2.755 1.00 1.00 H new ATOM 0 HE3 MET A 987 39.191 15.157 2.928 1.00 1.00 H new ATOM 500 N TRP A 988 43.189 12.424 5.514 1.00 1.00 N ATOM 501 CA TRP A 988 43.838 12.819 6.760 1.00 1.00 C ATOM 502 C TRP A 988 45.089 13.635 6.459 1.00 1.00 C ATOM 503 O TRP A 988 45.392 14.617 7.138 1.00 1.00 O ATOM 504 CB TRP A 988 44.205 11.581 7.583 1.00 1.00 C ATOM 505 CG TRP A 988 45.100 11.968 8.723 1.00 1.00 C ATOM 506 CD1 TRP A 988 45.074 13.158 9.373 1.00 1.00 C ATOM 507 CD2 TRP A 988 46.149 11.180 9.359 1.00 1.00 C ATOM 508 NE1 TRP A 988 46.040 13.149 10.363 1.00 1.00 N ATOM 509 CE2 TRP A 988 46.728 11.954 10.393 1.00 1.00 C ATOM 510 CE3 TRP A 988 46.651 9.884 9.141 1.00 1.00 C ATOM 511 CZ2 TRP A 988 47.766 11.461 11.182 1.00 1.00 C ATOM 512 CZ3 TRP A 988 47.696 9.385 9.934 1.00 1.00 C ATOM 513 CH2 TRP A 988 48.253 10.171 10.952 1.00 1.00 C ATOM 0 H TRP A 988 43.113 11.417 5.373 1.00 1.00 H new ATOM 0 HA TRP A 988 43.145 13.430 7.338 1.00 1.00 H new ATOM 0 HB2 TRP A 988 43.301 11.107 7.965 1.00 1.00 H new ATOM 0 HB3 TRP A 988 44.706 10.849 6.950 1.00 1.00 H new ATOM 0 HD1 TRP A 988 44.408 13.979 9.153 1.00 1.00 H new ATOM 0 HE1 TRP A 988 46.221 13.930 10.993 1.00 1.00 H new ATOM 0 HE3 TRP A 988 46.230 9.270 8.359 1.00 1.00 H new ATOM 0 HZ2 TRP A 988 48.191 12.071 11.965 1.00 1.00 H new ATOM 0 HZ3 TRP A 988 48.074 8.388 9.759 1.00 1.00 H new ATOM 0 HH2 TRP A 988 49.057 9.781 11.558 1.00 1.00 H new ATOM 524 N LYS A 989 45.814 13.216 5.432 1.00 1.00 N ATOM 525 CA LYS A 989 47.039 13.901 5.037 1.00 1.00 C ATOM 526 C LYS A 989 46.703 15.267 4.435 1.00 1.00 C ATOM 527 O LYS A 989 47.580 16.107 4.246 1.00 1.00 O ATOM 528 CB LYS A 989 47.790 13.049 3.999 1.00 1.00 C ATOM 529 CG LYS A 989 49.125 12.506 4.561 1.00 1.00 C ATOM 530 CD LYS A 989 50.282 13.512 4.372 1.00 1.00 C ATOM 531 CE LYS A 989 50.267 14.583 5.471 1.00 1.00 C ATOM 532 NZ LYS A 989 51.565 15.314 5.465 1.00 1.00 N ATOM 0 H LYS A 989 45.577 12.407 4.858 1.00 1.00 H new ATOM 0 HA LYS A 989 47.669 14.045 5.915 1.00 1.00 H new ATOM 0 HB2 LYS A 989 47.160 12.215 3.688 1.00 1.00 H new ATOM 0 HB3 LYS A 989 47.987 13.648 3.110 1.00 1.00 H new ATOM 0 HG2 LYS A 989 49.008 12.282 5.621 1.00 1.00 H new ATOM 0 HG3 LYS A 989 49.374 11.569 4.063 1.00 1.00 H new ATOM 0 HD2 LYS A 989 51.235 12.983 4.389 1.00 1.00 H new ATOM 0 HD3 LYS A 989 50.199 13.988 3.395 1.00 1.00 H new ATOM 0 HE2 LYS A 989 49.444 15.279 5.306 1.00 1.00 H new ATOM 0 HE3 LYS A 989 50.102 14.120 6.444 1.00 1.00 H new ATOM 0 HZ1 LYS A 989 51.558 16.041 6.209 1.00 1.00 H new ATOM 0 HZ2 LYS A 989 52.341 14.645 5.642 1.00 1.00 H new ATOM 0 HZ3 LYS A 989 51.704 15.768 4.539 1.00 1.00 H new ATOM 546 N VAL A 990 45.424 15.490 4.139 1.00 1.00 N ATOM 547 CA VAL A 990 45.000 16.765 3.568 1.00 1.00 C ATOM 548 C VAL A 990 44.609 17.722 4.687 1.00 1.00 C ATOM 549 O VAL A 990 44.449 18.923 4.468 1.00 1.00 O ATOM 550 CB VAL A 990 43.817 16.565 2.618 1.00 1.00 C ATOM 551 CG1 VAL A 990 43.382 17.920 2.053 1.00 1.00 C ATOM 552 CG2 VAL A 990 44.239 15.646 1.470 1.00 1.00 C ATOM 0 H VAL A 990 44.673 14.815 4.283 1.00 1.00 H new ATOM 0 HA VAL A 990 45.830 17.187 3.001 1.00 1.00 H new ATOM 0 HB VAL A 990 42.986 16.114 3.160 1.00 1.00 H new ATOM 0 HG11 VAL A 990 42.539 17.778 1.376 1.00 1.00 H new ATOM 0 HG12 VAL A 990 43.084 18.577 2.871 1.00 1.00 H new ATOM 0 HG13 VAL A 990 44.212 18.371 1.509 1.00 1.00 H new ATOM 0 HG21 VAL A 990 43.398 15.502 0.792 1.00 1.00 H new ATOM 0 HG22 VAL A 990 45.069 16.099 0.928 1.00 1.00 H new ATOM 0 HG23 VAL A 990 44.551 14.682 1.872 1.00 1.00 H new ATOM 562 N GLY A 991 44.466 17.177 5.889 1.00 1.00 N ATOM 563 CA GLY A 991 44.102 17.981 7.046 1.00 1.00 C ATOM 564 C GLY A 991 42.591 18.126 7.169 1.00 1.00 C ATOM 565 O GLY A 991 42.104 18.947 7.945 1.00 1.00 O ATOM 0 H GLY A 991 44.596 16.185 6.086 1.00 1.00 H new ATOM 0 HA2 GLY A 991 44.500 17.521 7.950 1.00 1.00 H new ATOM 0 HA3 GLY A 991 44.558 18.968 6.963 1.00 1.00 H new ATOM 569 N PHE A 992 41.850 17.325 6.407 1.00 1.00 N ATOM 570 CA PHE A 992 40.394 17.386 6.463 1.00 1.00 C ATOM 571 C PHE A 992 39.901 17.044 7.862 1.00 1.00 C ATOM 572 O PHE A 992 38.995 17.692 8.386 1.00 1.00 O ATOM 573 CB PHE A 992 39.776 16.415 5.446 1.00 1.00 C ATOM 574 CG PHE A 992 38.262 16.308 5.608 1.00 1.00 C ATOM 575 CD1 PHE A 992 37.478 17.401 6.032 1.00 1.00 C ATOM 576 CD2 PHE A 992 37.638 15.084 5.323 1.00 1.00 C ATOM 577 CE1 PHE A 992 36.089 17.256 6.163 1.00 1.00 C ATOM 578 CE2 PHE A 992 36.252 14.949 5.456 1.00 1.00 C ATOM 579 CZ PHE A 992 35.479 16.034 5.875 1.00 1.00 C ATOM 0 H PHE A 992 42.227 16.638 5.754 1.00 1.00 H new ATOM 0 HA PHE A 992 40.086 18.402 6.216 1.00 1.00 H new ATOM 0 HB2 PHE A 992 40.010 16.750 4.436 1.00 1.00 H new ATOM 0 HB3 PHE A 992 40.225 15.429 5.567 1.00 1.00 H new ATOM 0 HD1 PHE A 992 37.946 18.348 6.255 1.00 1.00 H new ATOM 0 HD2 PHE A 992 38.231 14.241 4.999 1.00 1.00 H new ATOM 0 HE1 PHE A 992 35.489 18.093 6.488 1.00 1.00 H new ATOM 0 HE2 PHE A 992 35.779 14.004 5.234 1.00 1.00 H new ATOM 0 HZ PHE A 992 34.409 15.928 5.976 1.00 1.00 H new ATOM 589 N PHE A 993 40.497 16.017 8.460 1.00 1.00 N ATOM 590 CA PHE A 993 40.093 15.604 9.800 1.00 1.00 C ATOM 591 C PHE A 993 40.865 16.372 10.868 1.00 1.00 C ATOM 592 O PHE A 993 40.601 16.219 12.061 1.00 1.00 O ATOM 593 CB PHE A 993 40.311 14.101 9.990 1.00 1.00 C ATOM 594 CG PHE A 993 39.413 13.334 9.048 1.00 1.00 C ATOM 595 CD1 PHE A 993 38.021 13.399 9.201 1.00 1.00 C ATOM 596 CD2 PHE A 993 39.967 12.561 8.020 1.00 1.00 C ATOM 597 CE1 PHE A 993 37.188 12.691 8.329 1.00 1.00 C ATOM 598 CE2 PHE A 993 39.130 11.854 7.149 1.00 1.00 C ATOM 599 CZ PHE A 993 37.741 11.921 7.303 1.00 1.00 C ATOM 0 H PHE A 993 41.248 15.464 8.047 1.00 1.00 H new ATOM 0 HA PHE A 993 39.032 15.828 9.908 1.00 1.00 H new ATOM 0 HB2 PHE A 993 41.354 13.848 9.800 1.00 1.00 H new ATOM 0 HB3 PHE A 993 40.097 13.820 11.021 1.00 1.00 H new ATOM 0 HD1 PHE A 993 37.592 13.996 9.992 1.00 1.00 H new ATOM 0 HD2 PHE A 993 41.039 12.510 7.899 1.00 1.00 H new ATOM 0 HE1 PHE A 993 36.116 12.740 8.449 1.00 1.00 H new ATOM 0 HE2 PHE A 993 39.557 11.256 6.357 1.00 1.00 H new ATOM 0 HZ PHE A 993 37.096 11.377 6.628 1.00 1.00 H new ATOM 609 N LYS A 994 41.802 17.212 10.438 1.00 1.00 N ATOM 610 CA LYS A 994 42.580 18.007 11.381 1.00 1.00 C ATOM 611 C LYS A 994 42.047 19.432 11.402 1.00 1.00 C ATOM 612 O LYS A 994 41.969 20.089 10.365 1.00 1.00 O ATOM 613 CB LYS A 994 44.056 18.013 10.979 1.00 1.00 C ATOM 614 CG LYS A 994 44.871 18.771 12.029 1.00 1.00 C ATOM 615 CD LYS A 994 46.355 18.726 11.654 1.00 1.00 C ATOM 616 CE LYS A 994 47.173 19.470 12.711 1.00 1.00 C ATOM 617 NZ LYS A 994 48.621 19.408 12.356 1.00 1.00 N ATOM 0 H LYS A 994 42.038 17.359 9.457 1.00 1.00 H new ATOM 0 HA LYS A 994 42.490 17.568 12.375 1.00 1.00 H new ATOM 0 HB2 LYS A 994 44.423 16.991 10.888 1.00 1.00 H new ATOM 0 HB3 LYS A 994 44.175 18.483 10.003 1.00 1.00 H new ATOM 0 HG2 LYS A 994 44.532 19.805 12.091 1.00 1.00 H new ATOM 0 HG3 LYS A 994 44.720 18.326 13.013 1.00 1.00 H new ATOM 0 HD2 LYS A 994 46.691 17.692 11.581 1.00 1.00 H new ATOM 0 HD3 LYS A 994 46.507 19.181 10.675 1.00 1.00 H new ATOM 0 HE2 LYS A 994 46.847 20.508 12.773 1.00 1.00 H new ATOM 0 HE3 LYS A 994 47.009 19.025 13.692 1.00 1.00 H new ATOM 0 HZ1 LYS A 994 49.177 19.914 13.075 1.00 1.00 H new ATOM 0 HZ2 LYS A 994 48.927 18.415 12.318 1.00 1.00 H new ATOM 0 HZ3 LYS A 994 48.770 19.852 11.427 1.00 1.00 H new ATOM 631 N ARG A 995 41.673 19.902 12.583 1.00 1.00 N ATOM 632 CA ARG A 995 41.141 21.244 12.720 1.00 1.00 C ATOM 633 C ARG A 995 41.664 21.860 14.006 1.00 1.00 C ATOM 634 O ARG A 995 41.927 21.146 14.973 1.00 1.00 O ATOM 635 CB ARG A 995 39.612 21.187 12.732 1.00 1.00 C ATOM 636 CG ARG A 995 39.041 22.601 12.775 1.00 1.00 C ATOM 637 CD ARG A 995 37.514 22.530 12.764 1.00 1.00 C ATOM 638 NE ARG A 995 36.947 23.865 12.634 1.00 1.00 N ATOM 639 CZ ARG A 995 35.636 24.042 12.543 1.00 1.00 C ATOM 640 NH1 ARG A 995 34.842 23.007 12.546 1.00 1.00 N ATOM 641 NH2 ARG A 995 35.142 25.247 12.444 1.00 1.00 N ATOM 0 H ARG A 995 41.729 19.375 13.454 1.00 1.00 H new ATOM 0 HA ARG A 995 41.460 21.860 11.879 1.00 1.00 H new ATOM 0 HB2 ARG A 995 39.252 20.667 11.845 1.00 1.00 H new ATOM 0 HB3 ARG A 995 39.267 20.620 13.596 1.00 1.00 H new ATOM 0 HG2 ARG A 995 39.386 23.118 13.671 1.00 1.00 H new ATOM 0 HG3 ARG A 995 39.396 23.175 11.919 1.00 1.00 H new ATOM 0 HD2 ARG A 995 37.178 21.903 11.938 1.00 1.00 H new ATOM 0 HD3 ARG A 995 37.158 22.064 13.683 1.00 1.00 H new ATOM 0 HE ARG A 995 37.567 24.675 12.613 1.00 1.00 H new ATOM 0 HH11 ARG A 995 35.230 22.067 12.618 1.00 1.00 H new ATOM 0 HH12 ARG A 995 33.833 23.138 12.476 1.00 1.00 H new ATOM 0 HH21 ARG A 995 35.765 26.055 12.437 1.00 1.00 H new ATOM 0 HH22 ARG A 995 34.133 25.380 12.374 1.00 1.00 H new ATOM 808 N ASP B 692 25.170 -16.025 -12.049 1.00 1.00 N ATOM 809 CA ASP B 692 26.619 -16.109 -12.111 1.00 1.00 C ATOM 810 C ASP B 692 27.248 -15.478 -10.877 1.00 1.00 C ATOM 811 O ASP B 692 26.796 -14.437 -10.394 1.00 1.00 O ATOM 812 CB ASP B 692 27.129 -15.397 -13.366 1.00 1.00 C ATOM 813 CG ASP B 692 26.775 -16.208 -14.607 1.00 1.00 C ATOM 814 OD1 ASP B 692 26.420 -17.365 -14.455 1.00 1.00 O ATOM 815 OD2 ASP B 692 26.864 -15.660 -15.694 1.00 1.00 O ATOM 0 HA ASP B 692 26.901 -17.161 -12.148 1.00 1.00 H new ATOM 0 HB2 ASP B 692 26.688 -14.402 -13.434 1.00 1.00 H new ATOM 0 HB3 ASP B 692 28.209 -15.264 -13.305 1.00 1.00 H new ATOM 820 N ILE B 693 28.305 -16.107 -10.385 1.00 1.00 N ATOM 821 CA ILE B 693 29.007 -15.602 -9.217 1.00 1.00 C ATOM 822 C ILE B 693 29.646 -14.264 -9.547 1.00 1.00 C ATOM 823 O ILE B 693 29.863 -13.431 -8.667 1.00 1.00 O ATOM 824 CB ILE B 693 30.088 -16.594 -8.781 1.00 1.00 C ATOM 825 CG1 ILE B 693 30.653 -16.173 -7.419 1.00 1.00 C ATOM 826 CG2 ILE B 693 31.215 -16.610 -9.815 1.00 1.00 C ATOM 827 CD1 ILE B 693 31.522 -17.299 -6.858 1.00 1.00 C ATOM 0 H ILE B 693 28.694 -16.965 -10.776 1.00 1.00 H new ATOM 0 HA ILE B 693 28.294 -15.475 -8.402 1.00 1.00 H new ATOM 0 HB ILE B 693 29.652 -17.590 -8.702 1.00 1.00 H new ATOM 0 HG12 ILE B 693 31.242 -15.262 -7.524 1.00 1.00 H new ATOM 0 HG13 ILE B 693 29.839 -15.949 -6.729 1.00 1.00 H new ATOM 0 HG21 ILE B 693 31.984 -17.317 -9.504 1.00 1.00 H new ATOM 0 HG22 ILE B 693 30.816 -16.911 -10.784 1.00 1.00 H new ATOM 0 HG23 ILE B 693 31.649 -15.613 -9.896 1.00 1.00 H new ATOM 0 HD11 ILE B 693 31.924 -17.000 -5.890 1.00 1.00 H new ATOM 0 HD12 ILE B 693 30.919 -18.199 -6.739 1.00 1.00 H new ATOM 0 HD13 ILE B 693 32.344 -17.501 -7.545 1.00 1.00 H new ATOM 839 N LEU B 694 29.946 -14.069 -10.826 1.00 1.00 N ATOM 840 CA LEU B 694 30.564 -12.828 -11.271 1.00 1.00 C ATOM 841 C LEU B 694 29.635 -11.649 -11.011 1.00 1.00 C ATOM 842 O LEU B 694 30.071 -10.594 -10.555 1.00 1.00 O ATOM 843 CB LEU B 694 30.885 -12.908 -12.765 1.00 1.00 C ATOM 844 CG LEU B 694 32.020 -13.914 -12.996 1.00 1.00 C ATOM 845 CD1 LEU B 694 32.184 -14.162 -14.496 1.00 1.00 C ATOM 846 CD2 LEU B 694 33.337 -13.373 -12.424 1.00 1.00 C ATOM 0 H LEU B 694 29.773 -14.749 -11.567 1.00 1.00 H new ATOM 0 HA LEU B 694 31.488 -12.682 -10.711 1.00 1.00 H new ATOM 0 HB2 LEU B 694 29.998 -13.211 -13.322 1.00 1.00 H new ATOM 0 HB3 LEU B 694 31.175 -11.926 -13.138 1.00 1.00 H new ATOM 0 HG LEU B 694 31.771 -14.847 -12.491 1.00 1.00 H new ATOM 0 HD11 LEU B 694 32.990 -14.877 -14.661 1.00 1.00 H new ATOM 0 HD12 LEU B 694 31.255 -14.563 -14.902 1.00 1.00 H new ATOM 0 HD13 LEU B 694 32.423 -13.223 -14.996 1.00 1.00 H new ATOM 0 HD21 LEU B 694 34.133 -14.098 -12.595 1.00 1.00 H new ATOM 0 HD22 LEU B 694 33.589 -12.434 -12.917 1.00 1.00 H new ATOM 0 HD23 LEU B 694 33.226 -13.203 -11.353 1.00 1.00 H new ATOM 858 N VAL B 695 28.351 -11.839 -11.294 1.00 1.00 N ATOM 859 CA VAL B 695 27.372 -10.782 -11.076 1.00 1.00 C ATOM 860 C VAL B 695 27.267 -10.467 -9.590 1.00 1.00 C ATOM 861 O VAL B 695 27.229 -9.305 -9.189 1.00 1.00 O ATOM 862 CB VAL B 695 26.005 -11.205 -11.611 1.00 1.00 C ATOM 863 CG1 VAL B 695 24.962 -10.155 -11.222 1.00 1.00 C ATOM 864 CG2 VAL B 695 26.068 -11.322 -13.136 1.00 1.00 C ATOM 0 H VAL B 695 27.967 -12.706 -11.671 1.00 1.00 H new ATOM 0 HA VAL B 695 27.699 -9.890 -11.610 1.00 1.00 H new ATOM 0 HB VAL B 695 25.728 -12.169 -11.185 1.00 1.00 H new ATOM 0 HG11 VAL B 695 23.985 -10.454 -11.602 1.00 1.00 H new ATOM 0 HG12 VAL B 695 24.918 -10.071 -10.136 1.00 1.00 H new ATOM 0 HG13 VAL B 695 25.239 -9.191 -11.650 1.00 1.00 H new ATOM 0 HG21 VAL B 695 25.093 -11.624 -13.518 1.00 1.00 H new ATOM 0 HG22 VAL B 695 26.343 -10.358 -13.564 1.00 1.00 H new ATOM 0 HG23 VAL B 695 26.813 -12.068 -13.413 1.00 1.00 H new ATOM 874 N VAL B 696 27.219 -11.520 -8.781 1.00 1.00 N ATOM 875 CA VAL B 696 27.115 -11.361 -7.336 1.00 1.00 C ATOM 876 C VAL B 696 28.340 -10.642 -6.779 1.00 1.00 C ATOM 877 O VAL B 696 28.217 -9.748 -5.940 1.00 1.00 O ATOM 878 CB VAL B 696 26.980 -12.732 -6.669 1.00 1.00 C ATOM 879 CG1 VAL B 696 27.079 -12.575 -5.151 1.00 1.00 C ATOM 880 CG2 VAL B 696 25.624 -13.342 -7.031 1.00 1.00 C ATOM 0 H VAL B 696 27.250 -12.488 -9.100 1.00 1.00 H new ATOM 0 HA VAL B 696 26.231 -10.761 -7.122 1.00 1.00 H new ATOM 0 HB VAL B 696 27.779 -13.386 -7.018 1.00 1.00 H new ATOM 0 HG11 VAL B 696 26.983 -13.552 -4.677 1.00 1.00 H new ATOM 0 HG12 VAL B 696 28.044 -12.140 -4.892 1.00 1.00 H new ATOM 0 HG13 VAL B 696 26.281 -11.921 -4.800 1.00 1.00 H new ATOM 0 HG21 VAL B 696 25.526 -14.319 -6.557 1.00 1.00 H new ATOM 0 HG22 VAL B 696 24.826 -12.687 -6.682 1.00 1.00 H new ATOM 0 HG23 VAL B 696 25.553 -13.455 -8.113 1.00 1.00 H new ATOM 890 N LEU B 697 29.521 -11.045 -7.240 1.00 1.00 N ATOM 891 CA LEU B 697 30.759 -10.435 -6.768 1.00 1.00 C ATOM 892 C LEU B 697 30.796 -8.947 -7.123 1.00 1.00 C ATOM 893 O LEU B 697 31.180 -8.113 -6.304 1.00 1.00 O ATOM 894 CB LEU B 697 31.959 -11.153 -7.401 1.00 1.00 C ATOM 895 CG LEU B 697 33.276 -10.512 -6.941 1.00 1.00 C ATOM 896 CD1 LEU B 697 33.371 -10.547 -5.414 1.00 1.00 C ATOM 897 CD2 LEU B 697 34.450 -11.294 -7.536 1.00 1.00 C ATOM 0 H LEU B 697 29.646 -11.783 -7.932 1.00 1.00 H new ATOM 0 HA LEU B 697 30.807 -10.532 -5.683 1.00 1.00 H new ATOM 0 HB2 LEU B 697 31.946 -12.207 -7.125 1.00 1.00 H new ATOM 0 HB3 LEU B 697 31.886 -11.107 -8.488 1.00 1.00 H new ATOM 0 HG LEU B 697 33.308 -9.476 -7.278 1.00 1.00 H new ATOM 0 HD11 LEU B 697 34.309 -10.090 -5.097 1.00 1.00 H new ATOM 0 HD12 LEU B 697 32.535 -9.995 -4.985 1.00 1.00 H new ATOM 0 HD13 LEU B 697 33.337 -11.581 -5.071 1.00 1.00 H new ATOM 0 HD21 LEU B 697 35.388 -10.843 -7.213 1.00 1.00 H new ATOM 0 HD22 LEU B 697 34.408 -12.329 -7.195 1.00 1.00 H new ATOM 0 HD23 LEU B 697 34.391 -11.268 -8.624 1.00 1.00 H new ATOM 909 N LEU B 698 30.398 -8.621 -8.346 1.00 1.00 N ATOM 910 CA LEU B 698 30.391 -7.230 -8.789 1.00 1.00 C ATOM 911 C LEU B 698 29.403 -6.386 -7.981 1.00 1.00 C ATOM 912 O LEU B 698 29.698 -5.245 -7.625 1.00 1.00 O ATOM 913 CB LEU B 698 30.031 -7.157 -10.275 1.00 1.00 C ATOM 914 CG LEU B 698 31.179 -7.730 -11.116 1.00 1.00 C ATOM 915 CD1 LEU B 698 30.725 -7.870 -12.569 1.00 1.00 C ATOM 916 CD2 LEU B 698 32.402 -6.803 -11.054 1.00 1.00 C ATOM 0 H LEU B 698 30.078 -9.292 -9.044 1.00 1.00 H new ATOM 0 HA LEU B 698 31.391 -6.826 -8.630 1.00 1.00 H new ATOM 0 HB2 LEU B 698 29.115 -7.716 -10.465 1.00 1.00 H new ATOM 0 HB3 LEU B 698 29.839 -6.123 -10.562 1.00 1.00 H new ATOM 0 HG LEU B 698 31.454 -8.706 -10.717 1.00 1.00 H new ATOM 0 HD11 LEU B 698 31.540 -8.277 -13.167 1.00 1.00 H new ATOM 0 HD12 LEU B 698 29.868 -8.541 -12.619 1.00 1.00 H new ATOM 0 HD13 LEU B 698 30.443 -6.892 -12.958 1.00 1.00 H new ATOM 0 HD21 LEU B 698 33.208 -7.223 -11.656 1.00 1.00 H new ATOM 0 HD22 LEU B 698 32.134 -5.820 -11.442 1.00 1.00 H new ATOM 0 HD23 LEU B 698 32.733 -6.707 -10.020 1.00 1.00 H new ATOM 928 N SER B 699 28.219 -6.940 -7.723 1.00 1.00 N ATOM 929 CA SER B 699 27.187 -6.210 -6.987 1.00 1.00 C ATOM 930 C SER B 699 27.645 -5.830 -5.580 1.00 1.00 C ATOM 931 O SER B 699 27.437 -4.697 -5.141 1.00 1.00 O ATOM 932 CB SER B 699 25.922 -7.062 -6.894 1.00 1.00 C ATOM 933 OG SER B 699 25.431 -7.318 -8.204 1.00 1.00 O ATOM 0 H SER B 699 27.952 -7.882 -8.009 1.00 1.00 H new ATOM 0 HA SER B 699 26.985 -5.289 -7.533 1.00 1.00 H new ATOM 0 HB2 SER B 699 26.139 -8.001 -6.384 1.00 1.00 H new ATOM 0 HB3 SER B 699 25.165 -6.546 -6.304 1.00 1.00 H new ATOM 0 HG SER B 699 25.990 -7.997 -8.636 1.00 1.00 H new ATOM 939 N VAL B 700 28.267 -6.767 -4.874 1.00 1.00 N ATOM 940 CA VAL B 700 28.740 -6.486 -3.521 1.00 1.00 C ATOM 941 C VAL B 700 29.867 -5.456 -3.535 1.00 1.00 C ATOM 942 O VAL B 700 29.952 -4.612 -2.646 1.00 1.00 O ATOM 943 CB VAL B 700 29.184 -7.771 -2.813 1.00 1.00 C ATOM 944 CG1 VAL B 700 30.283 -8.460 -3.613 1.00 1.00 C ATOM 945 CG2 VAL B 700 29.713 -7.425 -1.419 1.00 1.00 C ATOM 0 H VAL B 700 28.454 -7.713 -5.207 1.00 1.00 H new ATOM 0 HA VAL B 700 27.906 -6.064 -2.960 1.00 1.00 H new ATOM 0 HB VAL B 700 28.330 -8.444 -2.729 1.00 1.00 H new ATOM 0 HG11 VAL B 700 30.590 -9.371 -3.100 1.00 1.00 H new ATOM 0 HG12 VAL B 700 29.908 -8.711 -4.605 1.00 1.00 H new ATOM 0 HG13 VAL B 700 31.138 -7.791 -3.707 1.00 1.00 H new ATOM 0 HG21 VAL B 700 30.029 -8.337 -0.913 1.00 1.00 H new ATOM 0 HG22 VAL B 700 30.562 -6.747 -1.510 1.00 1.00 H new ATOM 0 HG23 VAL B 700 28.925 -6.944 -0.840 1.00 1.00 H new ATOM 955 N MET B 701 30.732 -5.527 -4.542 1.00 1.00 N ATOM 956 CA MET B 701 31.846 -4.588 -4.635 1.00 1.00 C ATOM 957 C MET B 701 31.333 -3.160 -4.793 1.00 1.00 C ATOM 958 O MET B 701 31.867 -2.231 -4.185 1.00 1.00 O ATOM 959 CB MET B 701 32.735 -4.947 -5.827 1.00 1.00 C ATOM 960 CG MET B 701 33.576 -6.179 -5.484 1.00 1.00 C ATOM 961 SD MET B 701 34.547 -6.673 -6.932 1.00 1.00 S ATOM 962 CE MET B 701 35.679 -5.259 -6.961 1.00 1.00 C ATOM 0 H MET B 701 30.686 -6.214 -5.295 1.00 1.00 H new ATOM 0 HA MET B 701 32.428 -4.653 -3.716 1.00 1.00 H new ATOM 0 HB2 MET B 701 32.121 -5.146 -6.705 1.00 1.00 H new ATOM 0 HB3 MET B 701 33.385 -4.108 -6.076 1.00 1.00 H new ATOM 0 HG2 MET B 701 34.239 -5.958 -4.647 1.00 1.00 H new ATOM 0 HG3 MET B 701 32.929 -6.998 -5.171 1.00 1.00 H new ATOM 0 HE1 MET B 701 36.606 -5.545 -7.458 1.00 1.00 H new ATOM 0 HE2 MET B 701 35.217 -4.434 -7.503 1.00 1.00 H new ATOM 0 HE3 MET B 701 35.896 -4.946 -5.940 1.00 1.00 H new ATOM 972 N GLY B 702 30.293 -2.992 -5.602 1.00 1.00 N ATOM 973 CA GLY B 702 29.719 -1.668 -5.816 1.00 1.00 C ATOM 974 C GLY B 702 29.118 -1.123 -4.523 1.00 1.00 C ATOM 975 O GLY B 702 29.249 0.062 -4.215 1.00 1.00 O ATOM 0 H GLY B 702 29.835 -3.745 -6.115 1.00 1.00 H new ATOM 0 HA2 GLY B 702 30.489 -0.987 -6.180 1.00 1.00 H new ATOM 0 HA3 GLY B 702 28.950 -1.720 -6.586 1.00 1.00 H new ATOM 979 N ALA B 703 28.457 -1.999 -3.771 1.00 1.00 N ATOM 980 CA ALA B 703 27.832 -1.599 -2.512 1.00 1.00 C ATOM 981 C ALA B 703 28.882 -1.150 -1.496 1.00 1.00 C ATOM 982 O ALA B 703 28.668 -0.196 -0.752 1.00 1.00 O ATOM 983 CB ALA B 703 27.030 -2.767 -1.936 1.00 1.00 C ATOM 0 H ALA B 703 28.340 -2.984 -4.009 1.00 1.00 H new ATOM 0 HA ALA B 703 27.166 -0.760 -2.715 1.00 1.00 H new ATOM 0 HB1 ALA B 703 26.567 -2.462 -0.998 1.00 1.00 H new ATOM 0 HB2 ALA B 703 26.256 -3.061 -2.644 1.00 1.00 H new ATOM 0 HB3 ALA B 703 27.695 -3.611 -1.755 1.00 1.00 H new ATOM 989 N ILE B 704 30.015 -1.843 -1.473 1.00 1.00 N ATOM 990 CA ILE B 704 31.087 -1.506 -0.542 1.00 1.00 C ATOM 991 C ILE B 704 31.639 -0.112 -0.821 1.00 1.00 C ATOM 992 O ILE B 704 31.877 0.664 0.105 1.00 1.00 O ATOM 993 CB ILE B 704 32.209 -2.543 -0.639 1.00 1.00 C ATOM 994 CG1 ILE B 704 31.707 -3.879 -0.082 1.00 1.00 C ATOM 995 CG2 ILE B 704 33.423 -2.080 0.166 1.00 1.00 C ATOM 996 CD1 ILE B 704 32.707 -4.987 -0.418 1.00 1.00 C ATOM 0 H ILE B 704 30.215 -2.636 -2.083 1.00 1.00 H new ATOM 0 HA ILE B 704 30.676 -1.513 0.467 1.00 1.00 H new ATOM 0 HB ILE B 704 32.500 -2.661 -1.683 1.00 1.00 H new ATOM 0 HG12 ILE B 704 31.578 -3.808 0.998 1.00 1.00 H new ATOM 0 HG13 ILE B 704 30.731 -4.116 -0.505 1.00 1.00 H new ATOM 0 HG21 ILE B 704 34.215 -2.825 0.090 1.00 1.00 H new ATOM 0 HG22 ILE B 704 33.780 -1.129 -0.229 1.00 1.00 H new ATOM 0 HG23 ILE B 704 33.140 -1.956 1.211 1.00 1.00 H new ATOM 0 HD11 ILE B 704 32.346 -5.936 -0.020 1.00 1.00 H new ATOM 0 HD12 ILE B 704 32.814 -5.065 -1.500 1.00 1.00 H new ATOM 0 HD13 ILE B 704 33.674 -4.751 0.026 1.00 1.00 H new ATOM 1008 N LEU B 705 31.844 0.203 -2.092 1.00 1.00 N ATOM 1009 CA LEU B 705 32.372 1.511 -2.461 1.00 1.00 C ATOM 1010 C LEU B 705 31.401 2.613 -2.037 1.00 1.00 C ATOM 1011 O LEU B 705 31.814 3.658 -1.533 1.00 1.00 O ATOM 1012 CB LEU B 705 32.591 1.577 -3.974 1.00 1.00 C ATOM 1013 CG LEU B 705 33.752 0.656 -4.369 1.00 1.00 C ATOM 1014 CD1 LEU B 705 33.824 0.555 -5.894 1.00 1.00 C ATOM 1015 CD2 LEU B 705 35.080 1.206 -3.832 1.00 1.00 C ATOM 0 H LEU B 705 31.656 -0.420 -2.878 1.00 1.00 H new ATOM 0 HA LEU B 705 33.324 1.659 -1.950 1.00 1.00 H new ATOM 0 HB2 LEU B 705 31.682 1.277 -4.496 1.00 1.00 H new ATOM 0 HB3 LEU B 705 32.808 2.602 -4.275 1.00 1.00 H new ATOM 0 HG LEU B 705 33.580 -0.331 -3.939 1.00 1.00 H new ATOM 0 HD11 LEU B 705 34.649 -0.099 -6.177 1.00 1.00 H new ATOM 0 HD12 LEU B 705 32.889 0.146 -6.276 1.00 1.00 H new ATOM 0 HD13 LEU B 705 33.986 1.546 -6.317 1.00 1.00 H new ATOM 0 HD21 LEU B 705 35.893 0.540 -4.121 1.00 1.00 H new ATOM 0 HD22 LEU B 705 35.258 2.198 -4.248 1.00 1.00 H new ATOM 0 HD23 LEU B 705 35.034 1.271 -2.745 1.00 1.00 H new ATOM 1027 N LEU B 706 30.111 2.371 -2.251 1.00 1.00 N ATOM 1028 CA LEU B 706 29.085 3.347 -1.894 1.00 1.00 C ATOM 1029 C LEU B 706 29.056 3.593 -0.386 1.00 1.00 C ATOM 1030 O LEU B 706 28.922 4.731 0.065 1.00 1.00 O ATOM 1031 CB LEU B 706 27.712 2.852 -2.355 1.00 1.00 C ATOM 1032 CG LEU B 706 27.639 2.875 -3.886 1.00 1.00 C ATOM 1033 CD1 LEU B 706 26.359 2.175 -4.345 1.00 1.00 C ATOM 1034 CD2 LEU B 706 27.640 4.323 -4.399 1.00 1.00 C ATOM 0 H LEU B 706 29.752 1.512 -2.668 1.00 1.00 H new ATOM 0 HA LEU B 706 29.326 4.286 -2.393 1.00 1.00 H new ATOM 0 HB2 LEU B 706 27.538 1.840 -1.989 1.00 1.00 H new ATOM 0 HB3 LEU B 706 26.928 3.482 -1.935 1.00 1.00 H new ATOM 0 HG LEU B 706 28.509 2.356 -4.288 1.00 1.00 H new ATOM 0 HD11 LEU B 706 26.306 2.191 -5.434 1.00 1.00 H new ATOM 0 HD12 LEU B 706 26.364 1.142 -3.997 1.00 1.00 H new ATOM 0 HD13 LEU B 706 25.493 2.693 -3.932 1.00 1.00 H new ATOM 0 HD21 LEU B 706 27.588 4.323 -5.488 1.00 1.00 H new ATOM 0 HD22 LEU B 706 26.778 4.853 -3.994 1.00 1.00 H new ATOM 0 HD23 LEU B 706 28.555 4.822 -4.079 1.00 1.00 H new ATOM 1046 N ILE B 707 29.173 2.520 0.392 1.00 1.00 N ATOM 1047 CA ILE B 707 29.149 2.639 1.848 1.00 1.00 C ATOM 1048 C ILE B 707 30.331 3.456 2.356 1.00 1.00 C ATOM 1049 O ILE B 707 30.175 4.308 3.230 1.00 1.00 O ATOM 1050 CB ILE B 707 29.169 1.252 2.492 1.00 1.00 C ATOM 1051 CG1 ILE B 707 27.847 0.538 2.204 1.00 1.00 C ATOM 1052 CG2 ILE B 707 29.351 1.396 4.004 1.00 1.00 C ATOM 1053 CD1 ILE B 707 27.971 -0.939 2.579 1.00 1.00 C ATOM 0 H ILE B 707 29.284 1.568 0.044 1.00 1.00 H new ATOM 0 HA ILE B 707 28.230 3.155 2.124 1.00 1.00 H new ATOM 0 HB ILE B 707 29.994 0.671 2.080 1.00 1.00 H new ATOM 0 HG12 ILE B 707 27.040 1.002 2.772 1.00 1.00 H new ATOM 0 HG13 ILE B 707 27.591 0.636 1.149 1.00 1.00 H new ATOM 0 HG21 ILE B 707 29.365 0.408 4.464 1.00 1.00 H new ATOM 0 HG22 ILE B 707 30.292 1.906 4.210 1.00 1.00 H new ATOM 0 HG23 ILE B 707 28.526 1.976 4.416 1.00 1.00 H new ATOM 0 HD11 ILE B 707 27.029 -1.447 2.374 1.00 1.00 H new ATOM 0 HD12 ILE B 707 28.766 -1.398 1.992 1.00 1.00 H new ATOM 0 HD13 ILE B 707 28.207 -1.027 3.640 1.00 1.00 H new ATOM 1065 N GLY B 708 31.514 3.197 1.812 1.00 1.00 N ATOM 1066 CA GLY B 708 32.702 3.927 2.238 1.00 1.00 C ATOM 1067 C GLY B 708 32.545 5.416 1.949 1.00 1.00 C ATOM 1068 O GLY B 708 32.894 6.257 2.775 1.00 1.00 O ATOM 0 H GLY B 708 31.676 2.499 1.086 1.00 1.00 H new ATOM 0 HA2 GLY B 708 32.868 3.773 3.304 1.00 1.00 H new ATOM 0 HA3 GLY B 708 33.579 3.540 1.720 1.00 1.00 H new ATOM 1072 N LEU B 709 32.007 5.731 0.779 1.00 1.00 N ATOM 1073 CA LEU B 709 31.796 7.120 0.393 1.00 1.00 C ATOM 1074 C LEU B 709 30.812 7.791 1.346 1.00 1.00 C ATOM 1075 O LEU B 709 30.997 8.940 1.744 1.00 1.00 O ATOM 1076 CB LEU B 709 31.259 7.180 -1.044 1.00 1.00 C ATOM 1077 CG LEU B 709 31.011 8.635 -1.466 1.00 1.00 C ATOM 1078 CD1 LEU B 709 32.304 9.444 -1.343 1.00 1.00 C ATOM 1079 CD2 LEU B 709 30.536 8.665 -2.921 1.00 1.00 C ATOM 0 H LEU B 709 31.710 5.047 0.083 1.00 1.00 H new ATOM 0 HA LEU B 709 32.747 7.651 0.445 1.00 1.00 H new ATOM 0 HB2 LEU B 709 31.972 6.714 -1.724 1.00 1.00 H new ATOM 0 HB3 LEU B 709 30.332 6.611 -1.116 1.00 1.00 H new ATOM 0 HG LEU B 709 30.252 9.071 -0.817 1.00 1.00 H new ATOM 0 HD11 LEU B 709 32.118 10.475 -1.645 1.00 1.00 H new ATOM 0 HD12 LEU B 709 32.648 9.425 -0.309 1.00 1.00 H new ATOM 0 HD13 LEU B 709 33.068 9.009 -1.988 1.00 1.00 H new ATOM 0 HD21 LEU B 709 30.359 9.697 -3.225 1.00 1.00 H new ATOM 0 HD22 LEU B 709 31.299 8.224 -3.562 1.00 1.00 H new ATOM 0 HD23 LEU B 709 29.611 8.096 -3.014 1.00 1.00 H new ATOM 1091 N ALA B 710 29.759 7.064 1.697 1.00 1.00 N ATOM 1092 CA ALA B 710 28.740 7.595 2.594 1.00 1.00 C ATOM 1093 C ALA B 710 29.331 7.906 3.967 1.00 1.00 C ATOM 1094 O ALA B 710 28.952 8.889 4.603 1.00 1.00 O ATOM 1095 CB ALA B 710 27.602 6.583 2.743 1.00 1.00 C ATOM 0 H ALA B 710 29.588 6.111 1.377 1.00 1.00 H new ATOM 0 HA ALA B 710 28.355 8.520 2.165 1.00 1.00 H new ATOM 0 HB1 ALA B 710 26.843 6.985 3.414 1.00 1.00 H new ATOM 0 HB2 ALA B 710 27.157 6.389 1.767 1.00 1.00 H new ATOM 0 HB3 ALA B 710 27.994 5.653 3.154 1.00 1.00 H new ATOM 1101 N ALA B 711 30.254 7.067 4.427 1.00 1.00 N ATOM 1102 CA ALA B 711 30.869 7.279 5.734 1.00 1.00 C ATOM 1103 C ALA B 711 31.611 8.613 5.771 1.00 1.00 C ATOM 1104 O ALA B 711 31.532 9.349 6.755 1.00 1.00 O ATOM 1105 CB ALA B 711 31.843 6.142 6.043 1.00 1.00 C ATOM 0 H ALA B 711 30.589 6.246 3.924 1.00 1.00 H new ATOM 0 HA ALA B 711 30.080 7.296 6.486 1.00 1.00 H new ATOM 0 HB1 ALA B 711 32.298 6.308 7.020 1.00 1.00 H new ATOM 0 HB2 ALA B 711 31.305 5.194 6.049 1.00 1.00 H new ATOM 0 HB3 ALA B 711 32.622 6.113 5.281 1.00 1.00 H new ATOM 1111 N LEU B 712 32.315 8.927 4.688 1.00 1.00 N ATOM 1112 CA LEU B 712 33.046 10.191 4.609 1.00 1.00 C ATOM 1113 C LEU B 712 32.072 11.364 4.662 1.00 1.00 C ATOM 1114 O LEU B 712 32.337 12.377 5.310 1.00 1.00 O ATOM 1115 CB LEU B 712 33.868 10.270 3.312 1.00 1.00 C ATOM 1116 CG LEU B 712 35.229 9.560 3.453 1.00 1.00 C ATOM 1117 CD1 LEU B 712 36.221 10.480 4.168 1.00 1.00 C ATOM 1118 CD2 LEU B 712 35.101 8.248 4.237 1.00 1.00 C ATOM 0 H LEU B 712 32.396 8.334 3.862 1.00 1.00 H new ATOM 0 HA LEU B 712 33.726 10.241 5.459 1.00 1.00 H new ATOM 0 HB2 LEU B 712 33.304 9.817 2.496 1.00 1.00 H new ATOM 0 HB3 LEU B 712 34.029 11.315 3.047 1.00 1.00 H new ATOM 0 HG LEU B 712 35.588 9.327 2.451 1.00 1.00 H new ATOM 0 HD11 LEU B 712 37.181 9.974 4.265 1.00 1.00 H new ATOM 0 HD12 LEU B 712 36.350 11.395 3.590 1.00 1.00 H new ATOM 0 HD13 LEU B 712 35.839 10.727 5.159 1.00 1.00 H new ATOM 0 HD21 LEU B 712 36.080 7.775 4.317 1.00 1.00 H new ATOM 0 HD22 LEU B 712 34.716 8.457 5.235 1.00 1.00 H new ATOM 0 HD23 LEU B 712 34.416 7.579 3.717 1.00 1.00 H new ATOM 1130 N LEU B 713 30.949 11.221 3.966 1.00 1.00 N ATOM 1131 CA LEU B 713 29.940 12.277 3.926 1.00 1.00 C ATOM 1132 C LEU B 713 29.368 12.549 5.316 1.00 1.00 C ATOM 1133 O LEU B 713 29.165 13.702 5.691 1.00 1.00 O ATOM 1134 CB LEU B 713 28.806 11.880 2.980 1.00 1.00 C ATOM 1135 CG LEU B 713 29.311 11.888 1.531 1.00 1.00 C ATOM 1136 CD1 LEU B 713 28.243 11.282 0.621 1.00 1.00 C ATOM 1137 CD2 LEU B 713 29.610 13.326 1.077 1.00 1.00 C ATOM 0 H LEU B 713 30.714 10.389 3.424 1.00 1.00 H new ATOM 0 HA LEU B 713 30.421 13.186 3.566 1.00 1.00 H new ATOM 0 HB2 LEU B 713 28.434 10.889 3.240 1.00 1.00 H new ATOM 0 HB3 LEU B 713 27.971 12.572 3.088 1.00 1.00 H new ATOM 0 HG LEU B 713 30.228 11.301 1.472 1.00 1.00 H new ATOM 0 HD11 LEU B 713 28.598 11.286 -0.410 1.00 1.00 H new ATOM 0 HD12 LEU B 713 28.040 10.257 0.931 1.00 1.00 H new ATOM 0 HD13 LEU B 713 27.328 11.870 0.692 1.00 1.00 H new ATOM 0 HD21 LEU B 713 29.967 13.316 0.047 1.00 1.00 H new ATOM 0 HD22 LEU B 713 28.701 13.924 1.140 1.00 1.00 H new ATOM 0 HD23 LEU B 713 30.374 13.760 1.722 1.00 1.00 H new ATOM 1149 N ILE B 714 29.108 11.491 6.078 1.00 1.00 N ATOM 1150 CA ILE B 714 28.554 11.650 7.422 1.00 1.00 C ATOM 1151 C ILE B 714 29.532 12.404 8.322 1.00 1.00 C ATOM 1152 O ILE B 714 29.141 13.305 9.058 1.00 1.00 O ATOM 1153 CB ILE B 714 28.256 10.277 8.032 1.00 1.00 C ATOM 1154 CG1 ILE B 714 27.102 9.590 7.276 1.00 1.00 C ATOM 1155 CG2 ILE B 714 27.905 10.426 9.513 1.00 1.00 C ATOM 1156 CD1 ILE B 714 25.804 10.416 7.349 1.00 1.00 C ATOM 0 H ILE B 714 29.269 10.525 5.794 1.00 1.00 H new ATOM 0 HA ILE B 714 27.630 12.223 7.346 1.00 1.00 H new ATOM 0 HB ILE B 714 29.146 9.654 7.942 1.00 1.00 H new ATOM 0 HG12 ILE B 714 27.384 9.447 6.233 1.00 1.00 H new ATOM 0 HG13 ILE B 714 26.928 8.600 7.698 1.00 1.00 H new ATOM 0 HG21 ILE B 714 27.695 9.444 9.938 1.00 1.00 H new ATOM 0 HG22 ILE B 714 28.744 10.878 10.042 1.00 1.00 H new ATOM 0 HG23 ILE B 714 27.026 11.062 9.616 1.00 1.00 H new ATOM 0 HD11 ILE B 714 25.013 9.900 6.805 1.00 1.00 H new ATOM 0 HD12 ILE B 714 25.508 10.537 8.391 1.00 1.00 H new ATOM 0 HD13 ILE B 714 25.971 11.396 6.903 1.00 1.00 H new ATOM 1168 N TRP B 715 30.808 12.044 8.251 1.00 1.00 N ATOM 1169 CA TRP B 715 31.821 12.712 9.067 1.00 1.00 C ATOM 1170 C TRP B 715 31.817 14.216 8.745 1.00 1.00 C ATOM 1171 O TRP B 715 31.906 15.074 9.628 1.00 1.00 O ATOM 1172 CB TRP B 715 33.202 12.114 8.761 1.00 1.00 C ATOM 1173 CG TRP B 715 34.085 12.185 9.969 1.00 1.00 C ATOM 1174 CD1 TRP B 715 34.042 13.134 10.935 1.00 1.00 C ATOM 1175 CD2 TRP B 715 35.147 11.267 10.355 1.00 1.00 C ATOM 1176 NE1 TRP B 715 35.013 12.859 11.880 1.00 1.00 N ATOM 1177 CE2 TRP B 715 35.719 11.717 11.566 1.00 1.00 C ATOM 1178 CE3 TRP B 715 35.663 10.098 9.770 1.00 1.00 C ATOM 1179 CZ2 TRP B 715 36.768 11.033 12.175 1.00 1.00 C ATOM 1180 CZ3 TRP B 715 36.718 9.405 10.382 1.00 1.00 C ATOM 1181 CH2 TRP B 715 37.269 9.872 11.583 1.00 1.00 C ATOM 0 H TRP B 715 31.165 11.304 7.646 1.00 1.00 H new ATOM 0 HA TRP B 715 31.598 12.568 10.124 1.00 1.00 H new ATOM 0 HB2 TRP B 715 33.093 11.077 8.443 1.00 1.00 H new ATOM 0 HB3 TRP B 715 33.663 12.654 7.934 1.00 1.00 H new ATOM 0 HD1 TRP B 715 33.359 13.970 10.962 1.00 1.00 H new ATOM 0 HE1 TRP B 715 35.186 13.430 12.707 1.00 1.00 H new ATOM 0 HE3 TRP B 715 35.245 9.731 8.844 1.00 1.00 H new ATOM 0 HZ2 TRP B 715 37.191 11.398 13.099 1.00 1.00 H new ATOM 0 HZ3 TRP B 715 37.108 8.507 9.925 1.00 1.00 H new ATOM 0 HH2 TRP B 715 38.081 9.334 12.050 1.00 1.00 H new ATOM 1192 N LYS B 716 31.705 14.529 7.459 1.00 1.00 N ATOM 1193 CA LYS B 716 31.688 15.928 7.021 1.00 1.00 C ATOM 1194 C LYS B 716 30.494 16.629 7.649 1.00 1.00 C ATOM 1195 O LYS B 716 30.591 17.766 8.117 1.00 1.00 O ATOM 1196 CB LYS B 716 31.639 15.964 5.479 1.00 1.00 C ATOM 1197 CG LYS B 716 32.122 17.314 4.894 1.00 1.00 C ATOM 1198 CD LYS B 716 30.954 18.261 4.507 1.00 1.00 C ATOM 1199 CE LYS B 716 30.408 19.050 5.708 1.00 1.00 C ATOM 1200 NZ LYS B 716 29.885 20.362 5.230 1.00 1.00 N ATOM 0 H LYS B 716 31.625 13.845 6.706 1.00 1.00 H new ATOM 0 HA LYS B 716 32.588 16.453 7.342 1.00 1.00 H new ATOM 0 HB2 LYS B 716 32.257 15.159 5.082 1.00 1.00 H new ATOM 0 HB3 LYS B 716 30.618 15.775 5.148 1.00 1.00 H new ATOM 0 HG2 LYS B 716 32.760 17.812 5.624 1.00 1.00 H new ATOM 0 HG3 LYS B 716 32.735 17.123 4.013 1.00 1.00 H new ATOM 0 HD2 LYS B 716 31.296 18.960 3.743 1.00 1.00 H new ATOM 0 HD3 LYS B 716 30.148 17.675 4.065 1.00 1.00 H new ATOM 0 HE2 LYS B 716 29.616 18.486 6.200 1.00 1.00 H new ATOM 0 HE3 LYS B 716 31.195 19.205 6.446 1.00 1.00 H new ATOM 0 HZ1 LYS B 716 29.393 20.844 6.009 1.00 1.00 H new ATOM 0 HZ2 LYS B 716 30.676 20.952 4.902 1.00 1.00 H new ATOM 0 HZ3 LYS B 716 29.221 20.206 4.445 1.00 1.00 H new ATOM 1214 N LEU B 717 29.370 15.931 7.671 1.00 1.00 N ATOM 1215 CA LEU B 717 28.148 16.485 8.257 1.00 1.00 C ATOM 1216 C LEU B 717 28.348 16.773 9.749 1.00 1.00 C ATOM 1217 O LEU B 717 27.900 17.797 10.271 1.00 1.00 O ATOM 1218 CB LEU B 717 26.970 15.517 8.078 1.00 1.00 C ATOM 1219 CG LEU B 717 26.570 15.456 6.599 1.00 1.00 C ATOM 1220 CD1 LEU B 717 25.532 14.353 6.385 1.00 1.00 C ATOM 1221 CD2 LEU B 717 25.966 16.797 6.160 1.00 1.00 C ATOM 0 H LEU B 717 29.273 14.988 7.295 1.00 1.00 H new ATOM 0 HA LEU B 717 27.923 17.417 7.739 1.00 1.00 H new ATOM 0 HB2 LEU B 717 27.247 14.524 8.431 1.00 1.00 H new ATOM 0 HB3 LEU B 717 26.123 15.845 8.680 1.00 1.00 H new ATOM 0 HG LEU B 717 27.461 15.245 6.008 1.00 1.00 H new ATOM 0 HD11 LEU B 717 25.253 14.316 5.332 1.00 1.00 H new ATOM 0 HD12 LEU B 717 25.954 13.393 6.683 1.00 1.00 H new ATOM 0 HD13 LEU B 717 24.648 14.563 6.988 1.00 1.00 H new ATOM 0 HD21 LEU B 717 25.685 16.743 5.108 1.00 1.00 H new ATOM 0 HD22 LEU B 717 25.082 17.012 6.761 1.00 1.00 H new ATOM 0 HD23 LEU B 717 26.701 17.590 6.299 1.00 1.00 H new ATOM 1233 N LEU B 718 29.042 15.879 10.432 1.00 1.00 N ATOM 1234 CA LEU B 718 29.292 16.085 11.872 1.00 1.00 C ATOM 1235 C LEU B 718 30.097 17.375 12.105 1.00 1.00 C ATOM 1236 O LEU B 718 29.808 18.137 13.031 1.00 1.00 O ATOM 1237 CB LEU B 718 30.051 14.891 12.480 1.00 1.00 C ATOM 1238 CG LEU B 718 29.076 13.789 12.941 1.00 1.00 C ATOM 1239 CD1 LEU B 718 28.442 13.090 11.743 1.00 1.00 C ATOM 1240 CD2 LEU B 718 29.829 12.731 13.755 1.00 1.00 C ATOM 0 H LEU B 718 29.437 15.024 10.040 1.00 1.00 H new ATOM 0 HA LEU B 718 28.323 16.172 12.363 1.00 1.00 H new ATOM 0 HB2 LEU B 718 30.743 14.483 11.743 1.00 1.00 H new ATOM 0 HB3 LEU B 718 30.649 15.229 13.326 1.00 1.00 H new ATOM 0 HG LEU B 718 28.303 14.263 13.546 1.00 1.00 H new ATOM 0 HD11 LEU B 718 27.758 12.317 12.093 1.00 1.00 H new ATOM 0 HD12 LEU B 718 27.892 13.818 11.146 1.00 1.00 H new ATOM 0 HD13 LEU B 718 29.222 12.635 11.132 1.00 1.00 H new ATOM 0 HD21 LEU B 718 29.133 11.956 14.077 1.00 1.00 H new ATOM 0 HD22 LEU B 718 30.609 12.285 13.138 1.00 1.00 H new ATOM 0 HD23 LEU B 718 30.281 13.199 14.630 1.00 1.00 H new ATOM 1252 N ILE B 719 31.086 17.633 11.260 1.00 1.00 N ATOM 1253 CA ILE B 719 31.891 18.846 11.402 1.00 1.00 C ATOM 1254 C ILE B 719 30.996 20.084 11.221 1.00 1.00 C ATOM 1255 O ILE B 719 31.092 21.061 11.968 1.00 1.00 O ATOM 1256 CB ILE B 719 33.004 18.874 10.332 1.00 1.00 C ATOM 1257 CG1 ILE B 719 34.030 17.759 10.623 1.00 1.00 C ATOM 1258 CG2 ILE B 719 33.683 20.245 10.370 1.00 1.00 C ATOM 1259 CD1 ILE B 719 35.020 17.581 9.442 1.00 1.00 C ATOM 0 H ILE B 719 31.350 17.032 10.480 1.00 1.00 H new ATOM 0 HA ILE B 719 32.341 18.853 12.395 1.00 1.00 H new ATOM 0 HB ILE B 719 32.580 18.705 9.342 1.00 1.00 H new ATOM 0 HG12 ILE B 719 34.583 17.999 11.531 1.00 1.00 H new ATOM 0 HG13 ILE B 719 33.508 16.820 10.807 1.00 1.00 H new ATOM 0 HG21 ILE B 719 34.472 20.281 9.619 1.00 1.00 H new ATOM 0 HG22 ILE B 719 32.947 21.021 10.160 1.00 1.00 H new ATOM 0 HG23 ILE B 719 34.114 20.411 11.358 1.00 1.00 H new ATOM 0 HD11 ILE B 719 35.730 16.788 9.678 1.00 1.00 H new ATOM 0 HD12 ILE B 719 34.467 17.316 8.541 1.00 1.00 H new ATOM 0 HD13 ILE B 719 35.560 18.513 9.276 1.00 1.00 H new ATOM 1271 N THR B 720 30.118 20.026 10.233 1.00 1.00 N ATOM 1272 CA THR B 720 29.209 21.142 9.951 1.00 1.00 C ATOM 1273 C THR B 720 28.289 21.400 11.143 1.00 1.00 C ATOM 1274 O THR B 720 28.047 22.557 11.503 1.00 1.00 O ATOM 1275 CB THR B 720 28.373 20.841 8.705 1.00 1.00 C ATOM 1276 OG1 THR B 720 29.224 20.377 7.659 1.00 1.00 O ATOM 1277 CG2 THR B 720 27.644 22.115 8.232 1.00 1.00 C ATOM 0 H THR B 720 30.010 19.225 9.611 1.00 1.00 H new ATOM 0 HA THR B 720 29.808 22.035 9.772 1.00 1.00 H new ATOM 0 HB THR B 720 27.637 20.076 8.953 1.00 1.00 H new ATOM 0 HG1 THR B 720 30.112 20.781 7.756 1.00 1.00 H new ATOM 0 HG21 THR B 720 27.053 21.888 7.345 1.00 1.00 H new ATOM 0 HG22 THR B 720 26.987 22.473 9.024 1.00 1.00 H new ATOM 0 HG23 THR B 720 28.377 22.886 7.992 1.00 1.00 H new ATOM 1285 N ILE B 721 27.754 20.324 11.736 1.00 1.00 N ATOM 1286 CA ILE B 721 26.829 20.476 12.877 1.00 1.00 C ATOM 1287 C ILE B 721 27.519 21.178 14.049 1.00 1.00 C ATOM 1288 O ILE B 721 26.934 22.096 14.637 1.00 1.00 O ATOM 1289 CB ILE B 721 26.323 19.094 13.337 1.00 1.00 C ATOM 1290 CG1 ILE B 721 25.420 18.498 12.252 1.00 1.00 C ATOM 1291 CG2 ILE B 721 25.517 19.244 14.632 1.00 1.00 C ATOM 1292 CD1 ILE B 721 25.146 17.026 12.561 1.00 1.00 C ATOM 0 H ILE B 721 27.937 19.360 11.457 1.00 1.00 H new ATOM 0 HA ILE B 721 25.986 21.084 12.549 1.00 1.00 H new ATOM 0 HB ILE B 721 27.176 18.438 13.512 1.00 1.00 H new ATOM 0 HG12 ILE B 721 24.481 19.050 12.203 1.00 1.00 H new ATOM 0 HG13 ILE B 721 25.897 18.592 11.276 1.00 1.00 H new ATOM 0 HG21 ILE B 721 25.161 18.266 14.954 1.00 1.00 H new ATOM 0 HG22 ILE B 721 26.151 19.673 15.408 1.00 1.00 H new ATOM 0 HG23 ILE B 721 24.665 19.900 14.456 1.00 1.00 H new ATOM 0 HD11 ILE B 721 24.504 16.605 11.787 1.00 1.00 H new ATOM 0 HD12 ILE B 721 26.088 16.478 12.588 1.00 1.00 H new ATOM 0 HD13 ILE B 721 24.651 16.943 13.528 1.00 1.00 H new ATOM 1304 N HIS B 722 28.750 20.771 14.386 1.00 1.00 N ATOM 1305 CA HIS B 722 29.469 21.398 15.494 1.00 1.00 C ATOM 1306 C HIS B 722 29.726 22.880 15.205 1.00 1.00 C ATOM 1307 O HIS B 722 29.639 23.725 16.096 1.00 1.00 O ATOM 1308 CB HIS B 722 30.805 20.694 15.742 1.00 1.00 C ATOM 1309 CG HIS B 722 30.555 19.368 16.403 1.00 1.00 C ATOM 1310 ND1 HIS B 722 30.148 18.250 15.695 1.00 1.00 N ATOM 1311 CD2 HIS B 722 30.648 18.968 17.715 1.00 1.00 C ATOM 1312 CE1 HIS B 722 30.012 17.242 16.571 1.00 1.00 C ATOM 1313 NE2 HIS B 722 30.304 17.623 17.816 1.00 1.00 N ATOM 0 H HIS B 722 29.259 20.023 13.914 1.00 1.00 H new ATOM 0 HA HIS B 722 28.846 21.309 16.384 1.00 1.00 H new ATOM 0 HB2 HIS B 722 31.333 20.549 14.799 1.00 1.00 H new ATOM 0 HB3 HIS B 722 31.443 21.313 16.373 1.00 1.00 H new ATOM 0 HD1 HIS B 722 29.982 18.201 14.690 1.00 1.00 H new ATOM 0 HD2 HIS B 722 30.942 19.600 18.540 1.00 1.00 H new ATOM 0 HE1 HIS B 722 29.703 16.243 16.301 1.00 1.00 H new ATOM 1321 N ASP B 723 30.043 23.191 13.951 1.00 1.00 N ATOM 1322 CA ASP B 723 30.310 24.587 13.577 1.00 1.00 C ATOM 1323 C ASP B 723 29.022 25.410 13.708 1.00 1.00 C ATOM 1324 O ASP B 723 29.048 26.555 14.170 1.00 1.00 O ATOM 1325 CB ASP B 723 30.812 24.666 12.129 1.00 1.00 C ATOM 1326 CG ASP B 723 32.322 24.443 12.072 1.00 1.00 C ATOM 1327 OD1 ASP B 723 32.934 24.363 13.122 1.00 1.00 O ATOM 1328 OD2 ASP B 723 32.842 24.331 10.975 1.00 1.00 O ATOM 0 H ASP B 723 30.121 22.517 13.189 1.00 1.00 H new ATOM 0 HA ASP B 723 31.075 24.986 14.243 1.00 1.00 H new ATOM 0 HB2 ASP B 723 30.305 23.917 11.521 1.00 1.00 H new ATOM 0 HB3 ASP B 723 30.566 25.640 11.706 1.00 1.00 H new