USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 530 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 180:sc= 0.00254 USER MOD Single : A 987 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 699 SER OG : rot 3:sc= -0.433 USER MOD Single : B 701 MET CE :methyl -120:sc= 0 (180deg=-0.251) USER MOD Single : B 716 LYS NZ :NH3+ -118:sc= -1.15! (180deg=-3.15!) USER MOD Single : B 720 THR OG1 : rot 84:sc= 1.25 USER MOD Single : B 722 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 966 64.137 -16.515 3.851 1.00 0.39 N ATOM 137 CA ILE A 966 63.346 -15.491 3.200 1.00 0.41 C ATOM 138 C ILE A 966 63.190 -14.192 3.999 1.00 0.35 C ATOM 139 O ILE A 966 63.249 -13.099 3.435 1.00 0.43 O ATOM 140 CB ILE A 966 61.980 -16.071 2.814 1.00 0.57 C ATOM 141 CG1 ILE A 966 62.205 -17.149 1.739 1.00 1.13 C ATOM 142 CG2 ILE A 966 61.071 -14.958 2.253 1.00 1.18 C ATOM 143 CD1 ILE A 966 60.909 -17.920 1.485 1.00 1.45 C ATOM 0 HA ILE A 966 63.900 -15.196 2.309 1.00 0.41 H new ATOM 0 HB ILE A 966 61.496 -16.503 3.690 1.00 0.57 H new ATOM 0 HG12 ILE A 966 62.548 -16.685 0.814 1.00 1.13 H new ATOM 0 HG13 ILE A 966 62.988 -17.836 2.060 1.00 1.13 H new ATOM 0 HG21 ILE A 966 60.103 -15.381 1.982 1.00 1.18 H new ATOM 0 HG22 ILE A 966 60.931 -14.187 3.010 1.00 1.18 H new ATOM 0 HG23 ILE A 966 61.536 -14.519 1.370 1.00 1.18 H new ATOM 0 HD11 ILE A 966 61.081 -18.680 0.723 1.00 1.45 H new ATOM 0 HD12 ILE A 966 60.584 -18.400 2.408 1.00 1.45 H new ATOM 0 HD13 ILE A 966 60.137 -17.231 1.143 1.00 1.45 H new ATOM 155 N TRP A 967 62.953 -14.317 5.302 1.00 0.28 N ATOM 156 CA TRP A 967 62.747 -13.131 6.133 1.00 0.28 C ATOM 157 C TRP A 967 63.905 -12.130 5.980 1.00 0.27 C ATOM 158 O TRP A 967 63.669 -10.963 5.675 1.00 0.27 O ATOM 159 CB TRP A 967 62.611 -13.536 7.634 1.00 0.31 C ATOM 160 CG TRP A 967 62.783 -15.016 7.802 1.00 0.30 C ATOM 161 CD1 TRP A 967 63.856 -15.607 8.380 1.00 0.36 C ATOM 162 CD2 TRP A 967 61.888 -16.095 7.409 1.00 0.43 C ATOM 163 NE1 TRP A 967 63.677 -16.977 8.363 1.00 0.33 N ATOM 164 CE2 TRP A 967 62.479 -17.329 7.775 1.00 0.38 C ATOM 165 CE3 TRP A 967 60.634 -16.125 6.776 1.00 0.70 C ATOM 166 CZ2 TRP A 967 61.849 -18.547 7.522 1.00 0.54 C ATOM 167 CZ3 TRP A 967 59.996 -17.350 6.519 1.00 0.90 C ATOM 168 CH2 TRP A 967 60.603 -18.558 6.891 1.00 0.81 C ATOM 0 H TRP A 967 62.899 -15.206 5.798 1.00 0.28 H new ATOM 0 HA TRP A 967 61.827 -12.652 5.797 1.00 0.28 H new ATOM 0 HB2 TRP A 967 63.358 -13.009 8.227 1.00 0.31 H new ATOM 0 HB3 TRP A 967 61.634 -13.234 8.010 1.00 0.31 H new ATOM 0 HD1 TRP A 967 64.713 -15.091 8.788 1.00 0.36 H new ATOM 0 HE1 TRP A 967 64.348 -17.647 8.739 1.00 0.33 H new ATOM 0 HE3 TRP A 967 60.158 -15.200 6.485 1.00 0.70 H new ATOM 0 HZ2 TRP A 967 62.321 -19.474 7.812 1.00 0.54 H new ATOM 0 HZ3 TRP A 967 59.032 -17.361 6.032 1.00 0.90 H new ATOM 0 HH2 TRP A 967 60.107 -19.496 6.690 1.00 0.81 H new ATOM 179 N TRP A 968 65.137 -12.548 6.268 1.00 0.31 N ATOM 180 CA TRP A 968 66.273 -11.616 6.235 1.00 0.36 C ATOM 181 C TRP A 968 66.437 -10.921 4.896 1.00 0.33 C ATOM 182 O TRP A 968 66.737 -9.728 4.871 1.00 0.33 O ATOM 183 CB TRP A 968 67.579 -12.326 6.575 1.00 0.46 C ATOM 184 CG TRP A 968 67.396 -13.128 7.811 1.00 0.60 C ATOM 185 CD1 TRP A 968 67.226 -14.450 7.817 1.00 0.44 C ATOM 186 CD2 TRP A 968 67.370 -12.698 9.200 1.00 1.46 C ATOM 187 NE1 TRP A 968 67.084 -14.886 9.121 1.00 0.49 N ATOM 188 CE2 TRP A 968 67.163 -13.837 10.015 1.00 1.30 C ATOM 189 CE3 TRP A 968 67.501 -11.447 9.826 1.00 2.43 C ATOM 190 CZ2 TRP A 968 67.090 -13.737 11.404 1.00 2.04 C ATOM 191 CZ3 TRP A 968 67.430 -11.343 11.224 1.00 3.19 C ATOM 192 CH2 TRP A 968 67.224 -12.486 12.012 1.00 2.99 C ATOM 0 H TRP A 968 65.376 -13.506 6.523 1.00 0.31 H new ATOM 0 HA TRP A 968 66.047 -10.859 6.986 1.00 0.36 H new ATOM 0 HB2 TRP A 968 67.880 -12.972 5.750 1.00 0.46 H new ATOM 0 HB3 TRP A 968 68.376 -11.596 6.716 1.00 0.46 H new ATOM 0 HD1 TRP A 968 67.203 -15.081 6.941 1.00 0.44 H new ATOM 0 HE1 TRP A 968 66.939 -15.860 9.389 1.00 0.49 H new ATOM 0 HE3 TRP A 968 67.657 -10.561 9.229 1.00 2.43 H new ATOM 0 HZ2 TRP A 968 66.931 -14.620 12.005 1.00 2.04 H new ATOM 0 HZ3 TRP A 968 67.535 -10.377 11.696 1.00 3.19 H new ATOM 0 HH2 TRP A 968 67.169 -12.399 13.087 1.00 2.99 H new ATOM 203 N VAL A 969 66.234 -11.614 3.781 1.00 0.33 N ATOM 204 CA VAL A 969 66.368 -10.944 2.497 1.00 0.33 C ATOM 205 C VAL A 969 65.301 -9.868 2.405 1.00 0.30 C ATOM 206 O VAL A 969 65.564 -8.732 2.018 1.00 0.30 O ATOM 207 CB VAL A 969 66.200 -11.948 1.347 1.00 0.37 C ATOM 208 CG1 VAL A 969 66.126 -11.201 0.011 1.00 0.81 C ATOM 209 CG2 VAL A 969 67.397 -12.906 1.322 1.00 0.82 C ATOM 0 H VAL A 969 65.985 -12.602 3.739 1.00 0.33 H new ATOM 0 HA VAL A 969 67.360 -10.499 2.416 1.00 0.33 H new ATOM 0 HB VAL A 969 65.280 -12.512 1.499 1.00 0.37 H new ATOM 0 HG11 VAL A 969 66.007 -11.918 -0.801 1.00 0.81 H new ATOM 0 HG12 VAL A 969 65.275 -10.520 0.021 1.00 0.81 H new ATOM 0 HG13 VAL A 969 67.044 -10.632 -0.139 1.00 0.81 H new ATOM 0 HG21 VAL A 969 67.276 -13.618 0.505 1.00 0.82 H new ATOM 0 HG22 VAL A 969 68.315 -12.337 1.175 1.00 0.82 H new ATOM 0 HG23 VAL A 969 67.452 -13.445 2.268 1.00 0.82 H new ATOM 219 N LEU A 970 64.095 -10.262 2.781 1.00 0.29 N ATOM 220 CA LEU A 970 62.953 -9.361 2.756 1.00 0.29 C ATOM 221 C LEU A 970 63.182 -8.171 3.692 1.00 0.26 C ATOM 222 O LEU A 970 62.888 -7.031 3.330 1.00 0.26 O ATOM 223 CB LEU A 970 61.702 -10.144 3.179 1.00 0.31 C ATOM 224 CG LEU A 970 60.411 -9.409 2.777 1.00 1.16 C ATOM 225 CD1 LEU A 970 60.345 -9.205 1.248 1.00 1.68 C ATOM 226 CD2 LEU A 970 59.213 -10.252 3.235 1.00 1.58 C ATOM 0 H LEU A 970 63.881 -11.204 3.109 1.00 0.29 H new ATOM 0 HA LEU A 970 62.820 -8.968 1.748 1.00 0.29 H new ATOM 0 HB2 LEU A 970 61.717 -11.132 2.719 1.00 0.31 H new ATOM 0 HB3 LEU A 970 61.714 -10.295 4.258 1.00 0.31 H new ATOM 0 HG LEU A 970 60.394 -8.427 3.250 1.00 1.16 H new ATOM 0 HD11 LEU A 970 59.423 -8.683 0.990 1.00 1.68 H new ATOM 0 HD12 LEU A 970 61.200 -8.613 0.923 1.00 1.68 H new ATOM 0 HD13 LEU A 970 60.365 -10.175 0.750 1.00 1.68 H new ATOM 0 HD21 LEU A 970 58.287 -9.748 2.959 1.00 1.58 H new ATOM 0 HD22 LEU A 970 59.251 -11.230 2.754 1.00 1.58 H new ATOM 0 HD23 LEU A 970 59.249 -10.378 4.317 1.00 1.58 H new ATOM 238 N VAL A 971 63.689 -8.431 4.894 1.00 0.26 N ATOM 239 CA VAL A 971 63.932 -7.367 5.870 1.00 0.27 C ATOM 240 C VAL A 971 64.980 -6.372 5.364 1.00 0.25 C ATOM 241 O VAL A 971 64.805 -5.159 5.489 1.00 0.24 O ATOM 242 CB VAL A 971 64.408 -7.978 7.200 1.00 0.31 C ATOM 243 CG1 VAL A 971 64.768 -6.849 8.176 1.00 0.69 C ATOM 244 CG2 VAL A 971 63.297 -8.881 7.811 1.00 0.56 C ATOM 0 H VAL A 971 63.940 -9.365 5.217 1.00 0.26 H new ATOM 0 HA VAL A 971 62.995 -6.831 6.020 1.00 0.27 H new ATOM 0 HB VAL A 971 65.288 -8.594 7.017 1.00 0.31 H new ATOM 0 HG11 VAL A 971 65.106 -7.278 9.120 1.00 0.69 H new ATOM 0 HG12 VAL A 971 65.564 -6.239 7.749 1.00 0.69 H new ATOM 0 HG13 VAL A 971 63.890 -6.228 8.353 1.00 0.69 H new ATOM 0 HG21 VAL A 971 63.649 -9.306 8.751 1.00 0.56 H new ATOM 0 HG22 VAL A 971 62.403 -8.285 7.994 1.00 0.56 H new ATOM 0 HG23 VAL A 971 63.059 -9.686 7.116 1.00 0.56 H new ATOM 254 N GLY A 972 66.074 -6.891 4.815 1.00 0.24 N ATOM 255 CA GLY A 972 67.133 -6.008 4.329 1.00 0.23 C ATOM 256 C GLY A 972 66.617 -5.068 3.243 1.00 0.22 C ATOM 257 O GLY A 972 67.022 -3.906 3.180 1.00 0.21 O ATOM 0 H GLY A 972 66.250 -7.889 4.697 1.00 0.24 H new ATOM 0 HA2 GLY A 972 67.532 -5.424 5.159 1.00 0.23 H new ATOM 0 HA3 GLY A 972 67.955 -6.605 3.935 1.00 0.23 H new ATOM 261 N VAL A 973 65.735 -5.570 2.392 1.00 0.22 N ATOM 262 CA VAL A 973 65.185 -4.757 1.310 1.00 0.23 C ATOM 263 C VAL A 973 64.400 -3.571 1.870 1.00 0.21 C ATOM 264 O VAL A 973 64.533 -2.452 1.374 1.00 0.20 O ATOM 265 CB VAL A 973 64.264 -5.610 0.412 1.00 0.26 C ATOM 266 CG1 VAL A 973 63.526 -4.694 -0.578 1.00 0.29 C ATOM 267 CG2 VAL A 973 65.090 -6.674 -0.370 1.00 0.29 C ATOM 0 H VAL A 973 65.385 -6.528 2.426 1.00 0.22 H new ATOM 0 HA VAL A 973 66.016 -4.379 0.715 1.00 0.23 H new ATOM 0 HB VAL A 973 63.542 -6.129 1.042 1.00 0.26 H new ATOM 0 HG11 VAL A 973 62.875 -5.294 -1.213 1.00 0.29 H new ATOM 0 HG12 VAL A 973 62.927 -3.970 -0.026 1.00 0.29 H new ATOM 0 HG13 VAL A 973 64.252 -4.168 -1.197 1.00 0.29 H new ATOM 0 HG21 VAL A 973 64.422 -7.265 -0.997 1.00 0.29 H new ATOM 0 HG22 VAL A 973 65.828 -6.173 -0.997 1.00 0.29 H new ATOM 0 HG23 VAL A 973 65.599 -7.330 0.336 1.00 0.29 H new ATOM 277 N LEU A 974 63.570 -3.812 2.876 1.00 0.23 N ATOM 278 CA LEU A 974 62.760 -2.738 3.445 1.00 0.24 C ATOM 279 C LEU A 974 63.615 -1.655 4.118 1.00 0.21 C ATOM 280 O LEU A 974 63.344 -0.463 3.976 1.00 0.21 O ATOM 281 CB LEU A 974 61.758 -3.313 4.456 1.00 0.28 C ATOM 282 CG LEU A 974 60.721 -4.209 3.743 1.00 0.38 C ATOM 283 CD1 LEU A 974 59.978 -5.057 4.782 1.00 1.10 C ATOM 284 CD2 LEU A 974 59.680 -3.359 2.995 1.00 1.00 C ATOM 0 H LEU A 974 63.439 -4.725 3.311 1.00 0.23 H new ATOM 0 HA LEU A 974 62.225 -2.267 2.620 1.00 0.24 H new ATOM 0 HB2 LEU A 974 62.288 -3.892 5.213 1.00 0.28 H new ATOM 0 HB3 LEU A 974 61.249 -2.500 4.975 1.00 0.28 H new ATOM 0 HG LEU A 974 61.255 -4.840 3.032 1.00 0.38 H new ATOM 0 HD11 LEU A 974 59.246 -5.689 4.279 1.00 1.10 H new ATOM 0 HD12 LEU A 974 60.691 -5.683 5.318 1.00 1.10 H new ATOM 0 HD13 LEU A 974 59.468 -4.402 5.488 1.00 1.10 H new ATOM 0 HD21 LEU A 974 58.962 -4.014 2.502 1.00 1.00 H new ATOM 0 HD22 LEU A 974 59.158 -2.716 3.704 1.00 1.00 H new ATOM 0 HD23 LEU A 974 60.182 -2.743 2.248 1.00 1.00 H new ATOM 296 N GLY A 975 64.640 -2.082 4.858 1.00 0.20 N ATOM 297 CA GLY A 975 65.515 -1.135 5.562 1.00 0.20 C ATOM 298 C GLY A 975 66.322 -0.270 4.592 1.00 0.17 C ATOM 299 O GLY A 975 66.405 0.947 4.755 1.00 0.18 O ATOM 0 H GLY A 975 64.885 -3.064 4.986 1.00 0.20 H new ATOM 0 HA2 GLY A 975 64.912 -0.493 6.204 1.00 0.20 H new ATOM 0 HA3 GLY A 975 66.197 -1.685 6.211 1.00 0.20 H new ATOM 303 N GLY A 976 66.901 -0.905 3.583 1.00 0.15 N ATOM 304 CA GLY A 976 67.688 -0.180 2.587 1.00 0.15 C ATOM 305 C GLY A 976 66.808 0.827 1.835 1.00 0.14 C ATOM 306 O GLY A 976 67.211 1.969 1.615 1.00 0.15 O ATOM 0 H GLY A 976 66.844 -1.912 3.430 1.00 0.15 H new ATOM 0 HA2 GLY A 976 68.512 0.341 3.075 1.00 0.15 H new ATOM 0 HA3 GLY A 976 68.130 -0.884 1.881 1.00 0.15 H new ATOM 310 N LEU A 977 65.608 0.405 1.460 1.00 0.15 N ATOM 311 CA LEU A 977 64.686 1.299 0.747 1.00 0.17 C ATOM 312 C LEU A 977 64.232 2.454 1.667 1.00 0.16 C ATOM 313 O LEU A 977 64.154 3.600 1.226 1.00 0.16 O ATOM 314 CB LEU A 977 63.488 0.468 0.246 1.00 0.21 C ATOM 315 CG LEU A 977 62.446 1.332 -0.495 1.00 1.09 C ATOM 316 CD1 LEU A 977 62.939 1.719 -1.911 1.00 1.63 C ATOM 317 CD2 LEU A 977 61.139 0.532 -0.609 1.00 1.61 C ATOM 0 H LEU A 977 65.248 -0.534 1.631 1.00 0.15 H new ATOM 0 HA LEU A 977 65.188 1.752 -0.108 1.00 0.17 H new ATOM 0 HB2 LEU A 977 63.846 -0.317 -0.420 1.00 0.21 H new ATOM 0 HB3 LEU A 977 63.011 -0.026 1.093 1.00 0.21 H new ATOM 0 HG LEU A 977 62.288 2.252 0.068 1.00 1.09 H new ATOM 0 HD11 LEU A 977 62.182 2.327 -2.406 1.00 1.63 H new ATOM 0 HD12 LEU A 977 63.866 2.287 -1.831 1.00 1.63 H new ATOM 0 HD13 LEU A 977 63.117 0.815 -2.494 1.00 1.63 H new ATOM 0 HD21 LEU A 977 60.391 1.129 -1.131 1.00 1.61 H new ATOM 0 HD22 LEU A 977 61.322 -0.387 -1.166 1.00 1.61 H new ATOM 0 HD23 LEU A 977 60.775 0.286 0.388 1.00 1.61 H new ATOM 329 N LEU A 978 63.954 2.161 2.931 1.00 0.18 N ATOM 330 CA LEU A 978 63.537 3.226 3.860 1.00 0.20 C ATOM 331 C LEU A 978 64.676 4.249 3.986 1.00 0.20 C ATOM 332 O LEU A 978 64.441 5.459 3.955 1.00 0.21 O ATOM 333 CB LEU A 978 63.231 2.607 5.233 1.00 0.26 C ATOM 334 CG LEU A 978 62.781 3.687 6.228 1.00 1.08 C ATOM 335 CD1 LEU A 978 61.471 4.339 5.748 1.00 1.53 C ATOM 336 CD2 LEU A 978 62.570 3.041 7.604 1.00 1.57 C ATOM 0 H LEU A 978 64.004 1.226 3.336 1.00 0.18 H new ATOM 0 HA LEU A 978 62.642 3.724 3.486 1.00 0.20 H new ATOM 0 HB2 LEU A 978 62.452 1.852 5.131 1.00 0.26 H new ATOM 0 HB3 LEU A 978 64.118 2.101 5.615 1.00 0.26 H new ATOM 0 HG LEU A 978 63.547 4.459 6.297 1.00 1.08 H new ATOM 0 HD11 LEU A 978 61.162 5.103 6.462 1.00 1.53 H new ATOM 0 HD12 LEU A 978 61.629 4.797 4.772 1.00 1.53 H new ATOM 0 HD13 LEU A 978 60.693 3.579 5.671 1.00 1.53 H new ATOM 0 HD21 LEU A 978 62.250 3.801 8.317 1.00 1.57 H new ATOM 0 HD22 LEU A 978 61.805 2.268 7.530 1.00 1.57 H new ATOM 0 HD23 LEU A 978 63.505 2.595 7.944 1.00 1.57 H new ATOM 348 N LEU A 979 65.892 3.756 4.103 1.00 0.22 N ATOM 349 CA LEU A 979 67.022 4.691 4.200 1.00 0.27 C ATOM 350 C LEU A 979 67.087 5.562 2.932 1.00 0.24 C ATOM 351 O LEU A 979 67.313 6.769 3.034 1.00 0.26 O ATOM 352 CB LEU A 979 68.340 3.922 4.349 1.00 0.34 C ATOM 353 CG LEU A 979 68.464 3.318 5.760 1.00 0.50 C ATOM 354 CD1 LEU A 979 69.500 2.190 5.735 1.00 1.51 C ATOM 355 CD2 LEU A 979 68.937 4.386 6.760 1.00 1.09 C ATOM 0 H LEU A 979 66.130 2.765 4.133 1.00 0.22 H new ATOM 0 HA LEU A 979 66.875 5.323 5.076 1.00 0.27 H new ATOM 0 HB2 LEU A 979 68.390 3.129 3.603 1.00 0.34 H new ATOM 0 HB3 LEU A 979 69.180 4.591 4.160 1.00 0.34 H new ATOM 0 HG LEU A 979 67.488 2.940 6.065 1.00 0.50 H new ATOM 0 HD11 LEU A 979 69.592 1.758 6.732 1.00 1.51 H new ATOM 0 HD12 LEU A 979 69.181 1.419 5.034 1.00 1.51 H new ATOM 0 HD13 LEU A 979 70.465 2.589 5.422 1.00 1.51 H new ATOM 0 HD21 LEU A 979 69.020 3.944 7.753 1.00 1.09 H new ATOM 0 HD22 LEU A 979 69.910 4.768 6.451 1.00 1.09 H new ATOM 0 HD23 LEU A 979 68.217 5.204 6.786 1.00 1.09 H new ATOM 367 N LEU A 980 66.882 4.985 1.758 1.00 0.22 N ATOM 368 CA LEU A 980 66.920 5.793 0.528 1.00 0.24 C ATOM 369 C LEU A 980 65.857 6.897 0.561 1.00 0.19 C ATOM 370 O LEU A 980 66.099 8.008 0.089 1.00 0.20 O ATOM 371 CB LEU A 980 66.664 4.926 -0.708 1.00 0.32 C ATOM 372 CG LEU A 980 67.886 4.071 -1.038 1.00 0.45 C ATOM 373 CD1 LEU A 980 67.504 3.143 -2.193 1.00 1.40 C ATOM 374 CD2 LEU A 980 69.082 4.969 -1.444 1.00 1.07 C ATOM 0 H LEU A 980 66.692 3.992 1.621 1.00 0.22 H new ATOM 0 HA LEU A 980 67.914 6.236 0.472 1.00 0.24 H new ATOM 0 HB2 LEU A 980 65.802 4.283 -0.533 1.00 0.32 H new ATOM 0 HB3 LEU A 980 66.420 5.562 -1.559 1.00 0.32 H new ATOM 0 HG LEU A 980 68.189 3.491 -0.166 1.00 0.45 H new ATOM 0 HD11 LEU A 980 68.357 2.517 -2.454 1.00 1.40 H new ATOM 0 HD12 LEU A 980 66.669 2.511 -1.891 1.00 1.40 H new ATOM 0 HD13 LEU A 980 67.213 3.739 -3.058 1.00 1.40 H new ATOM 0 HD21 LEU A 980 69.944 4.344 -1.676 1.00 1.07 H new ATOM 0 HD22 LEU A 980 68.814 5.557 -2.322 1.00 1.07 H new ATOM 0 HD23 LEU A 980 69.330 5.639 -0.621 1.00 1.07 H new ATOM 386 N THR A 981 64.686 6.583 1.089 1.00 0.16 N ATOM 387 CA THR A 981 63.616 7.582 1.124 1.00 0.17 C ATOM 388 C THR A 981 64.041 8.796 1.953 1.00 0.17 C ATOM 389 O THR A 981 63.850 9.937 1.529 1.00 0.18 O ATOM 390 CB THR A 981 62.347 6.969 1.725 1.00 0.23 C ATOM 391 OG1 THR A 981 62.124 5.692 1.143 1.00 0.53 O ATOM 392 CG2 THR A 981 61.143 7.872 1.430 1.00 0.61 C ATOM 0 H THR A 981 64.450 5.675 1.489 1.00 0.16 H new ATOM 0 HA THR A 981 63.414 7.906 0.103 1.00 0.17 H new ATOM 0 HB THR A 981 62.470 6.871 2.804 1.00 0.23 H new ATOM 0 HG1 THR A 981 61.314 5.295 1.526 1.00 0.53 H new ATOM 0 HG21 THR A 981 60.244 7.431 1.860 1.00 0.61 H new ATOM 0 HG22 THR A 981 61.310 8.856 1.869 1.00 0.61 H new ATOM 0 HG23 THR A 981 61.019 7.972 0.352 1.00 0.61 H new ATOM 400 N ILE A 982 64.583 8.552 3.136 1.00 0.19 N ATOM 401 CA ILE A 982 64.985 9.656 4.006 1.00 0.24 C ATOM 402 C ILE A 982 66.061 10.509 3.332 1.00 0.23 C ATOM 403 O ILE A 982 66.003 11.738 3.390 1.00 0.24 O ATOM 404 CB ILE A 982 65.509 9.093 5.340 1.00 0.32 C ATOM 405 CG1 ILE A 982 64.358 8.392 6.065 1.00 0.94 C ATOM 406 CG2 ILE A 982 66.041 10.215 6.254 1.00 1.13 C ATOM 407 CD1 ILE A 982 64.870 7.752 7.360 1.00 1.30 C ATOM 0 H ILE A 982 64.754 7.620 3.514 1.00 0.19 H new ATOM 0 HA ILE A 982 64.119 10.290 4.197 1.00 0.24 H new ATOM 0 HB ILE A 982 66.323 8.401 5.122 1.00 0.32 H new ATOM 0 HG12 ILE A 982 63.569 9.109 6.291 1.00 0.94 H new ATOM 0 HG13 ILE A 982 63.921 7.629 5.420 1.00 0.94 H new ATOM 0 HG21 ILE A 982 66.403 9.783 7.187 1.00 1.13 H new ATOM 0 HG22 ILE A 982 66.858 10.735 5.754 1.00 1.13 H new ATOM 0 HG23 ILE A 982 65.239 10.921 6.468 1.00 1.13 H new ATOM 0 HD11 ILE A 982 64.045 7.255 7.871 1.00 1.30 H new ATOM 0 HD12 ILE A 982 65.644 7.022 7.124 1.00 1.30 H new ATOM 0 HD13 ILE A 982 65.286 8.524 8.008 1.00 1.30 H new ATOM 419 N LEU A 983 67.034 9.872 2.693 1.00 0.24 N ATOM 420 CA LEU A 983 68.097 10.619 2.022 1.00 0.26 C ATOM 421 C LEU A 983 67.533 11.457 0.872 1.00 0.23 C ATOM 422 O LEU A 983 67.924 12.613 0.704 1.00 0.24 O ATOM 423 CB LEU A 983 69.165 9.640 1.498 1.00 0.30 C ATOM 424 CG LEU A 983 70.115 9.223 2.650 1.00 0.90 C ATOM 425 CD1 LEU A 983 70.767 7.851 2.366 1.00 1.61 C ATOM 426 CD2 LEU A 983 71.226 10.278 2.810 1.00 1.30 C ATOM 0 H LEU A 983 67.112 8.857 2.624 1.00 0.24 H new ATOM 0 HA LEU A 983 68.554 11.299 2.741 1.00 0.26 H new ATOM 0 HB2 LEU A 983 68.685 8.758 1.075 1.00 0.30 H new ATOM 0 HB3 LEU A 983 69.736 10.108 0.696 1.00 0.30 H new ATOM 0 HG LEU A 983 69.526 9.150 3.564 1.00 0.90 H new ATOM 0 HD11 LEU A 983 71.428 7.585 3.191 1.00 1.61 H new ATOM 0 HD12 LEU A 983 69.990 7.093 2.264 1.00 1.61 H new ATOM 0 HD13 LEU A 983 71.343 7.906 1.443 1.00 1.61 H new ATOM 0 HD21 LEU A 983 71.893 9.984 3.620 1.00 1.30 H new ATOM 0 HD22 LEU A 983 71.793 10.353 1.882 1.00 1.30 H new ATOM 0 HD23 LEU A 983 70.779 11.245 3.041 1.00 1.30 H new ATOM 438 N VAL A 984 66.639 10.889 0.072 1.00 0.19 N ATOM 439 CA VAL A 984 66.075 11.625 -1.056 1.00 0.19 C ATOM 440 C VAL A 984 65.298 12.852 -0.583 1.00 0.17 C ATOM 441 O VAL A 984 65.446 13.940 -1.140 1.00 0.18 O ATOM 442 CB VAL A 984 65.159 10.703 -1.872 1.00 0.21 C ATOM 443 CG1 VAL A 984 64.433 11.514 -2.963 1.00 0.62 C ATOM 444 CG2 VAL A 984 66.004 9.595 -2.522 1.00 0.53 C ATOM 0 H VAL A 984 66.292 9.936 0.179 1.00 0.19 H new ATOM 0 HA VAL A 984 66.896 11.969 -1.684 1.00 0.19 H new ATOM 0 HB VAL A 984 64.415 10.255 -1.213 1.00 0.21 H new ATOM 0 HG11 VAL A 984 63.785 10.852 -3.538 1.00 0.62 H new ATOM 0 HG12 VAL A 984 63.832 12.295 -2.497 1.00 0.62 H new ATOM 0 HG13 VAL A 984 65.168 11.969 -3.627 1.00 0.62 H new ATOM 0 HG21 VAL A 984 65.357 8.937 -3.103 1.00 0.53 H new ATOM 0 HG22 VAL A 984 66.749 10.044 -3.179 1.00 0.53 H new ATOM 0 HG23 VAL A 984 66.506 9.017 -1.746 1.00 0.53 H new ATOM 454 N LEU A 985 64.480 12.679 0.449 1.00 0.16 N ATOM 455 CA LEU A 985 63.705 13.800 0.974 1.00 0.17 C ATOM 456 C LEU A 985 64.646 14.877 1.513 1.00 0.19 C ATOM 457 O LEU A 985 64.417 16.065 1.286 1.00 0.19 O ATOM 458 CB LEU A 985 62.768 13.337 2.096 1.00 0.21 C ATOM 459 CG LEU A 985 61.631 12.461 1.530 1.00 0.30 C ATOM 460 CD1 LEU A 985 60.817 11.837 2.693 1.00 0.76 C ATOM 461 CD2 LEU A 985 60.707 13.308 0.620 1.00 0.59 C ATOM 0 H LEU A 985 64.337 11.792 0.932 1.00 0.16 H new ATOM 0 HA LEU A 985 63.105 14.209 0.161 1.00 0.17 H new ATOM 0 HB2 LEU A 985 63.333 12.773 2.839 1.00 0.21 H new ATOM 0 HB3 LEU A 985 62.347 14.204 2.606 1.00 0.21 H new ATOM 0 HG LEU A 985 62.064 11.658 0.933 1.00 0.30 H new ATOM 0 HD11 LEU A 985 60.016 11.220 2.286 1.00 0.76 H new ATOM 0 HD12 LEU A 985 61.474 11.221 3.307 1.00 0.76 H new ATOM 0 HD13 LEU A 985 60.388 12.631 3.304 1.00 0.76 H new ATOM 0 HD21 LEU A 985 59.908 12.679 0.226 1.00 0.59 H new ATOM 0 HD22 LEU A 985 60.274 14.124 1.199 1.00 0.59 H new ATOM 0 HD23 LEU A 985 61.287 13.718 -0.207 1.00 0.59 H new ATOM 473 N ALA A 986 65.687 14.480 2.240 1.00 0.21 N ATOM 474 CA ALA A 986 66.619 15.455 2.808 1.00 0.26 C ATOM 475 C ALA A 986 67.303 16.286 1.720 1.00 0.26 C ATOM 476 O ALA A 986 67.435 17.503 1.846 1.00 0.28 O ATOM 477 CB ALA A 986 67.675 14.732 3.645 1.00 0.30 C ATOM 0 H ALA A 986 65.906 13.506 2.449 1.00 0.21 H new ATOM 0 HA ALA A 986 66.047 16.136 3.438 1.00 0.26 H new ATOM 0 HB1 ALA A 986 68.367 15.461 4.066 1.00 0.30 H new ATOM 0 HB2 ALA A 986 67.188 14.186 4.452 1.00 0.30 H new ATOM 0 HB3 ALA A 986 68.224 14.033 3.014 1.00 0.30 H new ATOM 483 N MET A 987 67.739 15.618 0.656 1.00 0.25 N ATOM 484 CA MET A 987 68.415 16.298 -0.450 1.00 0.28 C ATOM 485 C MET A 987 67.465 17.278 -1.135 1.00 0.26 C ATOM 486 O MET A 987 67.839 18.409 -1.449 1.00 0.27 O ATOM 487 CB MET A 987 68.917 15.263 -1.462 1.00 0.30 C ATOM 488 CG MET A 987 70.182 14.584 -0.924 1.00 0.34 C ATOM 489 SD MET A 987 70.741 13.325 -2.104 1.00 0.81 S ATOM 490 CE MET A 987 72.395 13.030 -1.421 1.00 1.59 C ATOM 0 H MET A 987 67.638 14.610 0.534 1.00 0.25 H new ATOM 0 HA MET A 987 69.263 16.857 -0.054 1.00 0.28 H new ATOM 0 HB2 MET A 987 68.144 14.518 -1.648 1.00 0.30 H new ATOM 0 HB3 MET A 987 69.130 15.746 -2.416 1.00 0.30 H new ATOM 0 HG2 MET A 987 70.966 15.324 -0.767 1.00 0.34 H new ATOM 0 HG3 MET A 987 69.978 14.126 0.044 1.00 0.34 H new ATOM 0 HE1 MET A 987 72.906 12.275 -2.018 1.00 1.59 H new ATOM 0 HE2 MET A 987 72.968 13.957 -1.441 1.00 1.59 H new ATOM 0 HE3 MET A 987 72.307 12.680 -0.392 1.00 1.59 H new ATOM 500 N TRP A 988 66.235 16.839 -1.343 1.00 0.23 N ATOM 501 CA TRP A 988 65.225 17.685 -1.968 1.00 0.23 C ATOM 502 C TRP A 988 64.956 18.892 -1.067 1.00 0.22 C ATOM 503 O TRP A 988 64.876 20.019 -1.553 1.00 0.23 O ATOM 504 CB TRP A 988 63.951 16.848 -2.150 1.00 0.23 C ATOM 505 CG TRP A 988 62.803 17.674 -2.640 1.00 0.35 C ATOM 506 CD1 TRP A 988 62.890 18.761 -3.441 1.00 0.33 C ATOM 507 CD2 TRP A 988 61.384 17.480 -2.369 1.00 0.61 C ATOM 508 NE1 TRP A 988 61.612 19.234 -3.685 1.00 0.54 N ATOM 509 CE2 TRP A 988 60.653 18.484 -3.041 1.00 0.73 C ATOM 510 CE3 TRP A 988 60.670 16.536 -1.611 1.00 0.76 C ATOM 511 CZ2 TRP A 988 59.262 18.552 -2.966 1.00 1.01 C ATOM 512 CZ3 TRP A 988 59.269 16.600 -1.532 1.00 1.05 C ATOM 513 CH2 TRP A 988 58.567 17.607 -2.208 1.00 1.17 C ATOM 0 H TRP A 988 65.910 15.906 -1.090 1.00 0.23 H new ATOM 0 HA TRP A 988 65.563 18.048 -2.939 1.00 0.23 H new ATOM 0 HB2 TRP A 988 64.145 16.041 -2.857 1.00 0.23 H new ATOM 0 HB3 TRP A 988 63.684 16.383 -1.201 1.00 0.23 H new ATOM 0 HD1 TRP A 988 63.804 19.188 -3.826 1.00 0.33 H new ATOM 0 HE1 TRP A 988 61.405 20.042 -4.272 1.00 0.54 H new ATOM 0 HE3 TRP A 988 61.202 15.756 -1.086 1.00 0.76 H new ATOM 0 HZ2 TRP A 988 58.726 19.330 -3.490 1.00 1.01 H new ATOM 0 HZ3 TRP A 988 58.730 15.869 -0.947 1.00 1.05 H new ATOM 0 HH2 TRP A 988 57.490 17.652 -2.143 1.00 1.17 H new ATOM 524 N LYS A 989 64.781 18.674 0.226 1.00 0.22 N ATOM 525 CA LYS A 989 64.480 19.787 1.128 1.00 0.24 C ATOM 526 C LYS A 989 65.588 20.835 1.158 1.00 0.26 C ATOM 527 O LYS A 989 65.328 22.032 1.284 1.00 0.28 O ATOM 528 CB LYS A 989 64.260 19.268 2.550 1.00 0.26 C ATOM 529 CG LYS A 989 63.815 20.429 3.446 1.00 0.30 C ATOM 530 CD LYS A 989 63.536 19.920 4.858 1.00 0.34 C ATOM 531 CE LYS A 989 63.079 21.090 5.728 1.00 0.39 C ATOM 532 NZ LYS A 989 62.807 20.608 7.110 1.00 0.78 N ATOM 0 H LYS A 989 64.839 17.759 0.673 1.00 0.22 H new ATOM 0 HA LYS A 989 63.576 20.260 0.746 1.00 0.24 H new ATOM 0 HB2 LYS A 989 63.505 18.482 2.550 1.00 0.26 H new ATOM 0 HB3 LYS A 989 65.179 18.827 2.935 1.00 0.26 H new ATOM 0 HG2 LYS A 989 64.589 21.196 3.473 1.00 0.30 H new ATOM 0 HG3 LYS A 989 62.919 20.894 3.035 1.00 0.30 H new ATOM 0 HD2 LYS A 989 62.769 19.146 4.834 1.00 0.34 H new ATOM 0 HD3 LYS A 989 64.433 19.466 5.279 1.00 0.34 H new ATOM 0 HE2 LYS A 989 63.846 21.864 5.746 1.00 0.39 H new ATOM 0 HE3 LYS A 989 62.181 21.541 5.306 1.00 0.39 H new ATOM 0 HZ1 LYS A 989 62.496 21.405 7.701 1.00 0.78 H new ATOM 0 HZ2 LYS A 989 62.061 19.884 7.085 1.00 0.78 H new ATOM 0 HZ3 LYS A 989 63.674 20.197 7.511 1.00 0.78 H new ATOM 546 N VAL A 990 66.823 20.368 1.052 1.00 0.28 N ATOM 547 CA VAL A 990 67.950 21.291 1.084 1.00 0.32 C ATOM 548 C VAL A 990 68.073 21.959 -0.258 1.00 0.32 C ATOM 549 O VAL A 990 68.937 22.808 -0.470 1.00 0.35 O ATOM 550 CB VAL A 990 69.258 20.555 1.415 1.00 0.39 C ATOM 551 CG1 VAL A 990 70.451 21.520 1.289 1.00 0.91 C ATOM 552 CG2 VAL A 990 69.190 20.023 2.849 1.00 0.66 C ATOM 0 H VAL A 990 67.068 19.384 0.946 1.00 0.28 H new ATOM 0 HA VAL A 990 67.773 22.034 1.861 1.00 0.32 H new ATOM 0 HB VAL A 990 69.390 19.728 0.717 1.00 0.39 H new ATOM 0 HG11 VAL A 990 71.374 20.990 1.525 1.00 0.91 H new ATOM 0 HG12 VAL A 990 70.503 21.903 0.270 1.00 0.91 H new ATOM 0 HG13 VAL A 990 70.322 22.351 1.983 1.00 0.91 H new ATOM 0 HG21 VAL A 990 70.116 19.500 3.087 1.00 0.66 H new ATOM 0 HG22 VAL A 990 69.055 20.855 3.540 1.00 0.66 H new ATOM 0 HG23 VAL A 990 68.350 19.334 2.942 1.00 0.66 H new ATOM 562 N GLY A 991 67.201 21.577 -1.176 1.00 0.29 N ATOM 563 CA GLY A 991 67.221 22.136 -2.494 1.00 0.31 C ATOM 564 C GLY A 991 68.392 21.548 -3.236 1.00 0.34 C ATOM 565 O GLY A 991 68.680 21.996 -4.336 1.00 0.36 O ATOM 0 H GLY A 991 66.473 20.879 -1.021 1.00 0.29 H new ATOM 0 HA2 GLY A 991 66.290 21.914 -3.015 1.00 0.31 H new ATOM 0 HA3 GLY A 991 67.308 23.221 -2.445 1.00 0.31 H new ATOM 569 N PHE A 992 69.124 20.593 -2.673 1.00 0.35 N ATOM 570 CA PHE A 992 70.282 20.068 -3.377 1.00 0.38 C ATOM 571 C PHE A 992 69.921 19.735 -4.825 1.00 0.39 C ATOM 572 O PHE A 992 70.621 20.085 -5.774 1.00 0.42 O ATOM 573 CB PHE A 992 70.787 18.805 -2.654 1.00 0.40 C ATOM 574 CG PHE A 992 72.282 18.561 -2.862 1.00 0.39 C ATOM 575 CD1 PHE A 992 73.003 19.127 -3.937 1.00 0.45 C ATOM 576 CD2 PHE A 992 72.954 17.741 -1.945 1.00 0.62 C ATOM 577 CE1 PHE A 992 74.372 18.867 -4.077 1.00 0.44 C ATOM 578 CE2 PHE A 992 74.322 17.485 -2.092 1.00 0.81 C ATOM 579 CZ PHE A 992 75.030 18.048 -3.157 1.00 0.64 C ATOM 0 H PHE A 992 68.943 20.178 -1.759 1.00 0.35 H new ATOM 0 HA PHE A 992 71.069 20.823 -3.385 1.00 0.38 H new ATOM 0 HB2 PHE A 992 70.584 18.897 -1.587 1.00 0.40 H new ATOM 0 HB3 PHE A 992 70.229 17.940 -3.012 1.00 0.40 H new ATOM 0 HD1 PHE A 992 72.498 19.761 -4.651 1.00 0.45 H new ATOM 0 HD2 PHE A 992 72.412 17.304 -1.119 1.00 0.62 H new ATOM 0 HE1 PHE A 992 74.921 19.301 -4.899 1.00 0.44 H new ATOM 0 HE2 PHE A 992 74.831 16.851 -1.381 1.00 0.81 H new ATOM 0 HZ PHE A 992 76.086 17.850 -3.269 1.00 0.64 H new ATOM 589 N PHE A 993 68.767 19.081 -4.968 1.00 0.37 N ATOM 590 CA PHE A 993 68.263 18.716 -6.289 1.00 0.38 C ATOM 591 C PHE A 993 67.504 19.873 -6.907 1.00 0.41 C ATOM 592 O PHE A 993 67.401 19.957 -8.131 1.00 0.50 O ATOM 593 CB PHE A 993 67.339 17.499 -6.216 1.00 0.35 C ATOM 594 CG PHE A 993 68.155 16.243 -6.013 1.00 0.34 C ATOM 595 CD1 PHE A 993 69.028 15.807 -7.020 1.00 1.18 C ATOM 596 CD2 PHE A 993 68.034 15.510 -4.828 1.00 1.24 C ATOM 597 CE1 PHE A 993 69.778 14.641 -6.837 1.00 1.17 C ATOM 598 CE2 PHE A 993 68.783 14.345 -4.648 1.00 1.26 C ATOM 599 CZ PHE A 993 69.654 13.911 -5.650 1.00 0.39 C ATOM 0 H PHE A 993 68.170 18.796 -4.192 1.00 0.37 H new ATOM 0 HA PHE A 993 69.126 18.469 -6.907 1.00 0.38 H new ATOM 0 HB2 PHE A 993 66.630 17.619 -5.397 1.00 0.35 H new ATOM 0 HB3 PHE A 993 66.755 17.419 -7.133 1.00 0.35 H new ATOM 0 HD1 PHE A 993 69.121 16.371 -7.936 1.00 1.18 H new ATOM 0 HD2 PHE A 993 67.361 15.845 -4.052 1.00 1.24 H new ATOM 0 HE1 PHE A 993 70.452 14.305 -7.611 1.00 1.17 H new ATOM 0 HE2 PHE A 993 68.689 13.779 -3.733 1.00 1.26 H new ATOM 0 HZ PHE A 993 70.233 13.010 -5.508 1.00 0.39 H new ATOM 804 N ASP B 692 76.805 -15.632 7.330 1.00 0.47 N ATOM 805 CA ASP B 692 76.162 -15.100 8.503 1.00 0.41 C ATOM 806 C ASP B 692 74.981 -14.237 8.103 1.00 0.40 C ATOM 807 O ASP B 692 75.038 -13.472 7.134 1.00 0.40 O ATOM 808 CB ASP B 692 77.158 -14.283 9.324 1.00 0.44 C ATOM 809 CG ASP B 692 78.094 -15.217 10.087 1.00 0.91 C ATOM 810 OD1 ASP B 692 77.861 -16.416 10.056 1.00 1.60 O ATOM 811 OD2 ASP B 692 79.032 -14.722 10.687 1.00 1.48 O ATOM 0 HA ASP B 692 75.801 -15.928 9.113 1.00 0.41 H new ATOM 0 HB2 ASP B 692 77.736 -13.632 8.668 1.00 0.44 H new ATOM 0 HB3 ASP B 692 76.624 -13.639 10.023 1.00 0.44 H new ATOM 816 N ILE B 693 73.871 -14.415 8.817 1.00 0.42 N ATOM 817 CA ILE B 693 72.625 -13.725 8.538 1.00 0.44 C ATOM 818 C ILE B 693 72.792 -12.219 8.580 1.00 0.41 C ATOM 819 O ILE B 693 72.289 -11.509 7.709 1.00 0.40 O ATOM 820 CB ILE B 693 71.588 -14.162 9.598 1.00 0.51 C ATOM 821 CG1 ILE B 693 71.166 -15.614 9.342 1.00 0.92 C ATOM 822 CG2 ILE B 693 70.341 -13.268 9.579 1.00 0.96 C ATOM 823 CD1 ILE B 693 70.348 -16.126 10.530 1.00 0.95 C ATOM 0 H ILE B 693 73.817 -15.051 9.613 1.00 0.42 H new ATOM 0 HA ILE B 693 72.294 -13.986 7.533 1.00 0.44 H new ATOM 0 HB ILE B 693 72.060 -14.070 10.576 1.00 0.51 H new ATOM 0 HG12 ILE B 693 70.577 -15.676 8.427 1.00 0.92 H new ATOM 0 HG13 ILE B 693 72.047 -16.240 9.197 1.00 0.92 H new ATOM 0 HG21 ILE B 693 69.637 -13.609 10.339 1.00 0.96 H new ATOM 0 HG22 ILE B 693 70.629 -12.238 9.787 1.00 0.96 H new ATOM 0 HG23 ILE B 693 69.870 -13.322 8.598 1.00 0.96 H new ATOM 0 HD11 ILE B 693 70.048 -17.158 10.348 1.00 0.95 H new ATOM 0 HD12 ILE B 693 70.953 -16.078 11.436 1.00 0.95 H new ATOM 0 HD13 ILE B 693 69.460 -15.507 10.654 1.00 0.95 H new ATOM 835 N LEU B 694 73.492 -11.732 9.590 1.00 0.40 N ATOM 836 CA LEU B 694 73.723 -10.309 9.745 1.00 0.40 C ATOM 837 C LEU B 694 74.518 -9.766 8.560 1.00 0.36 C ATOM 838 O LEU B 694 74.230 -8.683 8.052 1.00 0.35 O ATOM 839 CB LEU B 694 74.486 -10.076 11.047 1.00 0.43 C ATOM 840 CG LEU B 694 73.564 -10.402 12.233 1.00 0.51 C ATOM 841 CD1 LEU B 694 74.406 -10.522 13.510 1.00 1.29 C ATOM 842 CD2 LEU B 694 72.475 -9.306 12.405 1.00 1.03 C ATOM 0 H LEU B 694 73.913 -12.308 10.319 1.00 0.40 H new ATOM 0 HA LEU B 694 72.768 -9.784 9.779 1.00 0.40 H new ATOM 0 HB2 LEU B 694 75.377 -10.704 11.079 1.00 0.43 H new ATOM 0 HB3 LEU B 694 74.823 -9.041 11.106 1.00 0.43 H new ATOM 0 HG LEU B 694 73.059 -11.348 12.040 1.00 0.51 H new ATOM 0 HD11 LEU B 694 73.756 -10.753 14.354 1.00 1.29 H new ATOM 0 HD12 LEU B 694 75.140 -11.319 13.388 1.00 1.29 H new ATOM 0 HD13 LEU B 694 74.921 -9.580 13.696 1.00 1.29 H new ATOM 0 HD21 LEU B 694 71.835 -9.559 13.250 1.00 1.03 H new ATOM 0 HD22 LEU B 694 72.953 -8.343 12.587 1.00 1.03 H new ATOM 0 HD23 LEU B 694 71.872 -9.246 11.499 1.00 1.03 H new ATOM 854 N VAL B 695 75.526 -10.521 8.132 1.00 0.34 N ATOM 855 CA VAL B 695 76.368 -10.108 7.014 1.00 0.33 C ATOM 856 C VAL B 695 75.553 -9.986 5.731 1.00 0.31 C ATOM 857 O VAL B 695 75.648 -8.987 5.016 1.00 0.31 O ATOM 858 CB VAL B 695 77.484 -11.141 6.799 1.00 0.35 C ATOM 859 CG1 VAL B 695 78.258 -10.820 5.514 1.00 0.65 C ATOM 860 CG2 VAL B 695 78.442 -11.114 7.992 1.00 0.73 C ATOM 0 H VAL B 695 75.779 -11.420 8.542 1.00 0.34 H new ATOM 0 HA VAL B 695 76.796 -9.134 7.253 1.00 0.33 H new ATOM 0 HB VAL B 695 77.039 -12.132 6.709 1.00 0.35 H new ATOM 0 HG11 VAL B 695 79.047 -11.558 5.371 1.00 0.65 H new ATOM 0 HG12 VAL B 695 77.577 -10.846 4.663 1.00 0.65 H new ATOM 0 HG13 VAL B 695 78.700 -9.827 5.594 1.00 0.65 H new ATOM 0 HG21 VAL B 695 79.234 -11.847 7.839 1.00 0.73 H new ATOM 0 HG22 VAL B 695 78.880 -10.120 8.084 1.00 0.73 H new ATOM 0 HG23 VAL B 695 77.895 -11.355 8.903 1.00 0.73 H new ATOM 870 N VAL B 696 74.721 -10.987 5.463 1.00 0.31 N ATOM 871 CA VAL B 696 73.873 -10.975 4.279 1.00 0.31 C ATOM 872 C VAL B 696 72.899 -9.808 4.348 1.00 0.30 C ATOM 873 O VAL B 696 72.663 -9.116 3.356 1.00 0.29 O ATOM 874 CB VAL B 696 73.095 -12.293 4.198 1.00 0.34 C ATOM 875 CG1 VAL B 696 72.143 -12.263 2.999 1.00 1.04 C ATOM 876 CG2 VAL B 696 74.079 -13.459 4.048 1.00 0.90 C ATOM 0 H VAL B 696 74.617 -11.815 6.049 1.00 0.31 H new ATOM 0 HA VAL B 696 74.496 -10.863 3.392 1.00 0.31 H new ATOM 0 HB VAL B 696 72.513 -12.424 5.110 1.00 0.34 H new ATOM 0 HG11 VAL B 696 71.593 -13.203 2.947 1.00 1.04 H new ATOM 0 HG12 VAL B 696 71.440 -11.437 3.113 1.00 1.04 H new ATOM 0 HG13 VAL B 696 72.717 -12.127 2.082 1.00 1.04 H new ATOM 0 HG21 VAL B 696 73.526 -14.397 3.990 1.00 0.90 H new ATOM 0 HG22 VAL B 696 74.664 -13.326 3.138 1.00 0.90 H new ATOM 0 HG23 VAL B 696 74.747 -13.484 4.909 1.00 0.90 H new ATOM 886 N LEU B 697 72.278 -9.627 5.510 1.00 0.31 N ATOM 887 CA LEU B 697 71.290 -8.574 5.689 1.00 0.32 C ATOM 888 C LEU B 697 71.895 -7.192 5.455 1.00 0.29 C ATOM 889 O LEU B 697 71.286 -6.335 4.815 1.00 0.28 O ATOM 890 CB LEU B 697 70.747 -8.641 7.133 1.00 0.38 C ATOM 891 CG LEU B 697 69.611 -7.586 7.362 1.00 0.56 C ATOM 892 CD1 LEU B 697 68.194 -8.216 7.240 1.00 0.99 C ATOM 893 CD2 LEU B 697 69.781 -6.947 8.754 1.00 1.24 C ATOM 0 H LEU B 697 72.443 -10.197 6.340 1.00 0.31 H new ATOM 0 HA LEU B 697 70.492 -8.726 4.962 1.00 0.32 H new ATOM 0 HB2 LEU B 697 70.363 -9.641 7.334 1.00 0.38 H new ATOM 0 HB3 LEU B 697 71.559 -8.463 7.838 1.00 0.38 H new ATOM 0 HG LEU B 697 69.698 -6.826 6.585 1.00 0.56 H new ATOM 0 HD11 LEU B 697 67.439 -7.448 7.406 1.00 0.99 H new ATOM 0 HD12 LEU B 697 68.068 -8.639 6.243 1.00 0.99 H new ATOM 0 HD13 LEU B 697 68.081 -9.004 7.985 1.00 0.99 H new ATOM 0 HD21 LEU B 697 68.992 -6.213 8.916 1.00 1.24 H new ATOM 0 HD22 LEU B 697 69.719 -7.721 9.519 1.00 1.24 H new ATOM 0 HD23 LEU B 697 70.752 -6.455 8.812 1.00 1.24 H new ATOM 905 N LEU B 698 73.095 -6.991 5.990 1.00 0.29 N ATOM 906 CA LEU B 698 73.793 -5.721 5.850 1.00 0.27 C ATOM 907 C LEU B 698 74.164 -5.484 4.393 1.00 0.23 C ATOM 908 O LEU B 698 74.082 -4.361 3.892 1.00 0.22 O ATOM 909 CB LEU B 698 75.052 -5.709 6.726 1.00 0.30 C ATOM 910 CG LEU B 698 74.659 -5.657 8.215 1.00 0.37 C ATOM 911 CD1 LEU B 698 75.878 -6.041 9.066 1.00 0.84 C ATOM 912 CD2 LEU B 698 74.166 -4.235 8.611 1.00 0.64 C ATOM 0 H LEU B 698 73.604 -7.694 6.525 1.00 0.29 H new ATOM 0 HA LEU B 698 73.131 -4.919 6.178 1.00 0.27 H new ATOM 0 HB2 LEU B 698 75.649 -6.599 6.530 1.00 0.30 H new ATOM 0 HB3 LEU B 698 75.671 -4.848 6.475 1.00 0.30 H new ATOM 0 HG LEU B 698 73.843 -6.359 8.391 1.00 0.37 H new ATOM 0 HD11 LEU B 698 75.610 -6.007 10.122 1.00 0.84 H new ATOM 0 HD12 LEU B 698 76.200 -7.049 8.806 1.00 0.84 H new ATOM 0 HD13 LEU B 698 76.690 -5.340 8.875 1.00 0.84 H new ATOM 0 HD21 LEU B 698 73.895 -4.225 9.667 1.00 0.64 H new ATOM 0 HD22 LEU B 698 74.962 -3.512 8.434 1.00 0.64 H new ATOM 0 HD23 LEU B 698 73.296 -3.971 8.010 1.00 0.64 H new ATOM 924 N SER B 699 74.624 -6.538 3.722 1.00 0.23 N ATOM 925 CA SER B 699 75.035 -6.429 2.329 1.00 0.22 C ATOM 926 C SER B 699 73.870 -6.011 1.443 1.00 0.20 C ATOM 927 O SER B 699 74.019 -5.152 0.573 1.00 0.20 O ATOM 928 CB SER B 699 75.590 -7.772 1.849 1.00 0.25 C ATOM 929 OG SER B 699 74.692 -8.811 2.217 1.00 0.27 O ATOM 0 H SER B 699 74.720 -7.472 4.120 1.00 0.23 H new ATOM 0 HA SER B 699 75.808 -5.664 2.260 1.00 0.22 H new ATOM 0 HB2 SER B 699 75.724 -7.757 0.767 1.00 0.25 H new ATOM 0 HB3 SER B 699 76.571 -7.951 2.289 1.00 0.25 H new ATOM 0 HG SER B 699 73.900 -8.423 2.645 1.00 0.27 H new ATOM 935 N VAL B 700 72.694 -6.598 1.678 1.00 0.19 N ATOM 936 CA VAL B 700 71.516 -6.249 0.887 1.00 0.17 C ATOM 937 C VAL B 700 71.174 -4.776 1.086 1.00 0.14 C ATOM 938 O VAL B 700 70.896 -4.058 0.129 1.00 0.14 O ATOM 939 CB VAL B 700 70.313 -7.127 1.301 1.00 0.18 C ATOM 940 CG1 VAL B 700 69.012 -6.585 0.664 1.00 0.57 C ATOM 941 CG2 VAL B 700 70.547 -8.579 0.843 1.00 0.51 C ATOM 0 H VAL B 700 72.535 -7.304 2.396 1.00 0.19 H new ATOM 0 HA VAL B 700 71.736 -6.427 -0.166 1.00 0.17 H new ATOM 0 HB VAL B 700 70.214 -7.100 2.386 1.00 0.18 H new ATOM 0 HG11 VAL B 700 68.172 -7.212 0.963 1.00 0.57 H new ATOM 0 HG12 VAL B 700 68.840 -5.563 1.001 1.00 0.57 H new ATOM 0 HG13 VAL B 700 69.106 -6.598 -0.422 1.00 0.57 H new ATOM 0 HG21 VAL B 700 69.697 -9.195 1.137 1.00 0.51 H new ATOM 0 HG22 VAL B 700 70.657 -8.605 -0.241 1.00 0.51 H new ATOM 0 HG23 VAL B 700 71.453 -8.966 1.309 1.00 0.51 H new ATOM 951 N MET B 701 71.183 -4.346 2.337 1.00 0.13 N ATOM 952 CA MET B 701 70.859 -2.962 2.641 1.00 0.12 C ATOM 953 C MET B 701 71.855 -2.032 1.953 1.00 0.14 C ATOM 954 O MET B 701 71.469 -0.988 1.426 1.00 0.13 O ATOM 955 CB MET B 701 70.834 -2.722 4.155 1.00 0.14 C ATOM 956 CG MET B 701 69.522 -3.267 4.733 1.00 0.13 C ATOM 957 SD MET B 701 69.563 -3.198 6.546 1.00 0.17 S ATOM 958 CE MET B 701 69.315 -1.413 6.762 1.00 0.93 C ATOM 0 H MET B 701 71.407 -4.924 3.147 1.00 0.13 H new ATOM 0 HA MET B 701 69.861 -2.745 2.260 1.00 0.12 H new ATOM 0 HB2 MET B 701 71.685 -3.214 4.627 1.00 0.14 H new ATOM 0 HB3 MET B 701 70.924 -1.657 4.367 1.00 0.14 H new ATOM 0 HG2 MET B 701 68.681 -2.684 4.358 1.00 0.13 H new ATOM 0 HG3 MET B 701 69.370 -4.295 4.404 1.00 0.13 H new ATOM 0 HE1 MET B 701 70.169 -0.988 7.290 1.00 0.93 H new ATOM 0 HE2 MET B 701 69.220 -0.938 5.786 1.00 0.93 H new ATOM 0 HE3 MET B 701 68.407 -1.239 7.340 1.00 0.93 H new ATOM 968 N GLY B 702 73.134 -2.415 1.922 1.00 0.15 N ATOM 969 CA GLY B 702 74.156 -1.611 1.259 1.00 0.17 C ATOM 970 C GLY B 702 73.911 -1.566 -0.253 1.00 0.17 C ATOM 971 O GLY B 702 74.082 -0.527 -0.885 1.00 0.18 O ATOM 0 H GLY B 702 73.483 -3.274 2.347 1.00 0.15 H new ATOM 0 HA2 GLY B 702 74.150 -0.599 1.664 1.00 0.17 H new ATOM 0 HA3 GLY B 702 75.142 -2.029 1.461 1.00 0.17 H new ATOM 975 N ALA B 703 73.539 -2.708 -0.831 1.00 0.18 N ATOM 976 CA ALA B 703 73.300 -2.780 -2.270 1.00 0.21 C ATOM 977 C ALA B 703 72.138 -1.864 -2.654 1.00 0.21 C ATOM 978 O ALA B 703 72.167 -1.207 -3.694 1.00 0.23 O ATOM 979 CB ALA B 703 73.000 -4.238 -2.672 1.00 0.24 C ATOM 0 H ALA B 703 73.398 -3.586 -0.331 1.00 0.18 H new ATOM 0 HA ALA B 703 74.190 -2.446 -2.803 1.00 0.21 H new ATOM 0 HB1 ALA B 703 72.822 -4.290 -3.746 1.00 0.24 H new ATOM 0 HB2 ALA B 703 73.851 -4.869 -2.414 1.00 0.24 H new ATOM 0 HB3 ALA B 703 72.115 -4.587 -2.140 1.00 0.24 H new ATOM 985 N ILE B 704 71.134 -1.820 -1.794 1.00 0.23 N ATOM 986 CA ILE B 704 69.998 -0.956 -2.081 1.00 0.28 C ATOM 987 C ILE B 704 70.477 0.490 -2.193 1.00 0.25 C ATOM 988 O ILE B 704 70.067 1.214 -3.097 1.00 0.26 O ATOM 989 CB ILE B 704 68.932 -1.056 -0.973 1.00 0.37 C ATOM 990 CG1 ILE B 704 68.235 -2.432 -0.993 1.00 0.47 C ATOM 991 CG2 ILE B 704 67.886 0.052 -1.143 1.00 0.50 C ATOM 992 CD1 ILE B 704 67.574 -2.709 -2.355 1.00 0.45 C ATOM 0 H ILE B 704 71.079 -2.349 -0.924 1.00 0.23 H new ATOM 0 HA ILE B 704 69.550 -1.278 -3.021 1.00 0.28 H new ATOM 0 HB ILE B 704 69.435 -0.937 -0.014 1.00 0.37 H new ATOM 0 HG12 ILE B 704 68.963 -3.213 -0.775 1.00 0.47 H new ATOM 0 HG13 ILE B 704 67.481 -2.471 -0.207 1.00 0.47 H new ATOM 0 HG21 ILE B 704 67.138 -0.029 -0.354 1.00 0.50 H new ATOM 0 HG22 ILE B 704 68.373 1.025 -1.082 1.00 0.50 H new ATOM 0 HG23 ILE B 704 67.402 -0.051 -2.114 1.00 0.50 H new ATOM 0 HD11 ILE B 704 67.092 -3.687 -2.334 1.00 0.45 H new ATOM 0 HD12 ILE B 704 66.828 -1.941 -2.560 1.00 0.45 H new ATOM 0 HD13 ILE B 704 68.333 -2.695 -3.137 1.00 0.45 H new ATOM 1004 N LEU B 705 71.370 0.896 -1.289 1.00 0.25 N ATOM 1005 CA LEU B 705 71.911 2.254 -1.308 1.00 0.27 C ATOM 1006 C LEU B 705 72.611 2.535 -2.636 1.00 0.25 C ATOM 1007 O LEU B 705 72.440 3.605 -3.220 1.00 0.26 O ATOM 1008 CB LEU B 705 72.912 2.426 -0.139 1.00 0.32 C ATOM 1009 CG LEU B 705 72.190 2.913 1.141 1.00 1.07 C ATOM 1010 CD1 LEU B 705 72.917 2.391 2.387 1.00 1.69 C ATOM 1011 CD2 LEU B 705 72.191 4.449 1.176 1.00 1.67 C ATOM 0 H LEU B 705 71.732 0.307 -0.539 1.00 0.25 H new ATOM 0 HA LEU B 705 71.090 2.962 -1.194 1.00 0.27 H new ATOM 0 HB2 LEU B 705 73.412 1.478 0.059 1.00 0.32 H new ATOM 0 HB3 LEU B 705 73.685 3.141 -0.420 1.00 0.32 H new ATOM 0 HG LEU B 705 71.167 2.538 1.132 1.00 1.07 H new ATOM 0 HD11 LEU B 705 72.401 2.739 3.282 1.00 1.69 H new ATOM 0 HD12 LEU B 705 72.925 1.301 2.374 1.00 1.69 H new ATOM 0 HD13 LEU B 705 73.942 2.761 2.392 1.00 1.69 H new ATOM 0 HD21 LEU B 705 71.683 4.793 2.077 1.00 1.67 H new ATOM 0 HD22 LEU B 705 73.219 4.812 1.178 1.00 1.67 H new ATOM 0 HD23 LEU B 705 71.672 4.833 0.298 1.00 1.67 H new ATOM 1023 N LEU B 706 73.438 1.602 -3.097 1.00 0.23 N ATOM 1024 CA LEU B 706 74.165 1.813 -4.344 1.00 0.24 C ATOM 1025 C LEU B 706 73.198 1.936 -5.512 1.00 0.22 C ATOM 1026 O LEU B 706 73.371 2.791 -6.379 1.00 0.23 O ATOM 1027 CB LEU B 706 75.163 0.663 -4.597 1.00 0.27 C ATOM 1028 CG LEU B 706 76.447 0.882 -3.765 1.00 1.17 C ATOM 1029 CD1 LEU B 706 77.211 -0.444 -3.606 1.00 1.81 C ATOM 1030 CD2 LEU B 706 77.372 1.913 -4.464 1.00 1.67 C ATOM 0 H LEU B 706 73.620 0.710 -2.637 1.00 0.23 H new ATOM 0 HA LEU B 706 74.726 2.744 -4.256 1.00 0.24 H new ATOM 0 HB2 LEU B 706 74.706 -0.290 -4.331 1.00 0.27 H new ATOM 0 HB3 LEU B 706 75.411 0.613 -5.657 1.00 0.27 H new ATOM 0 HG LEU B 706 76.157 1.258 -2.784 1.00 1.17 H new ATOM 0 HD11 LEU B 706 78.113 -0.276 -3.018 1.00 1.81 H new ATOM 0 HD12 LEU B 706 76.577 -1.171 -3.098 1.00 1.81 H new ATOM 0 HD13 LEU B 706 77.485 -0.826 -4.589 1.00 1.81 H new ATOM 0 HD21 LEU B 706 78.272 2.057 -3.867 1.00 1.67 H new ATOM 0 HD22 LEU B 706 77.647 1.544 -5.452 1.00 1.67 H new ATOM 0 HD23 LEU B 706 76.847 2.863 -4.565 1.00 1.67 H new ATOM 1042 N ILE B 707 72.186 1.076 -5.541 1.00 0.20 N ATOM 1043 CA ILE B 707 71.217 1.114 -6.627 1.00 0.22 C ATOM 1044 C ILE B 707 70.451 2.434 -6.626 1.00 0.21 C ATOM 1045 O ILE B 707 70.296 3.067 -7.668 1.00 0.21 O ATOM 1046 CB ILE B 707 70.238 -0.059 -6.494 1.00 0.26 C ATOM 1047 CG1 ILE B 707 70.998 -1.373 -6.752 1.00 0.60 C ATOM 1048 CG2 ILE B 707 69.093 0.087 -7.511 1.00 0.47 C ATOM 1049 CD1 ILE B 707 70.134 -2.595 -6.385 1.00 0.85 C ATOM 0 H ILE B 707 72.017 0.356 -4.838 1.00 0.20 H new ATOM 0 HA ILE B 707 71.755 1.030 -7.571 1.00 0.22 H new ATOM 0 HB ILE B 707 69.813 -0.066 -5.490 1.00 0.26 H new ATOM 0 HG12 ILE B 707 71.286 -1.430 -7.802 1.00 0.60 H new ATOM 0 HG13 ILE B 707 71.918 -1.385 -6.167 1.00 0.60 H new ATOM 0 HG21 ILE B 707 68.405 -0.752 -7.407 1.00 0.47 H new ATOM 0 HG22 ILE B 707 68.559 1.019 -7.327 1.00 0.47 H new ATOM 0 HG23 ILE B 707 69.503 0.097 -8.521 1.00 0.47 H new ATOM 0 HD11 ILE B 707 70.696 -3.509 -6.577 1.00 0.85 H new ATOM 0 HD12 ILE B 707 69.868 -2.548 -5.329 1.00 0.85 H new ATOM 0 HD13 ILE B 707 69.226 -2.593 -6.989 1.00 0.85 H new ATOM 1061 N GLY B 708 69.988 2.855 -5.457 1.00 0.21 N ATOM 1062 CA GLY B 708 69.250 4.108 -5.358 1.00 0.22 C ATOM 1063 C GLY B 708 70.136 5.308 -5.673 1.00 0.21 C ATOM 1064 O GLY B 708 69.685 6.270 -6.296 1.00 0.20 O ATOM 0 H GLY B 708 70.107 2.356 -4.575 1.00 0.21 H new ATOM 0 HA2 GLY B 708 68.405 4.088 -6.046 1.00 0.22 H new ATOM 0 HA3 GLY B 708 68.840 4.211 -4.353 1.00 0.22 H new ATOM 1068 N LEU B 709 71.385 5.281 -5.214 1.00 0.22 N ATOM 1069 CA LEU B 709 72.314 6.391 -5.408 1.00 0.24 C ATOM 1070 C LEU B 709 72.851 6.534 -6.837 1.00 0.21 C ATOM 1071 O LEU B 709 73.212 7.636 -7.241 1.00 0.23 O ATOM 1072 CB LEU B 709 73.491 6.228 -4.443 1.00 0.29 C ATOM 1073 CG LEU B 709 73.013 6.469 -3.004 1.00 0.46 C ATOM 1074 CD1 LEU B 709 74.107 6.010 -2.033 1.00 1.28 C ATOM 1075 CD2 LEU B 709 72.684 7.971 -2.779 1.00 0.87 C ATOM 0 H LEU B 709 71.780 4.494 -4.700 1.00 0.22 H new ATOM 0 HA LEU B 709 71.746 7.300 -5.210 1.00 0.24 H new ATOM 0 HB2 LEU B 709 73.913 5.227 -4.534 1.00 0.29 H new ATOM 0 HB3 LEU B 709 74.283 6.933 -4.697 1.00 0.29 H new ATOM 0 HG LEU B 709 72.102 5.898 -2.826 1.00 0.46 H new ATOM 0 HD11 LEU B 709 73.777 6.177 -1.008 1.00 1.28 H new ATOM 0 HD12 LEU B 709 74.304 4.948 -2.182 1.00 1.28 H new ATOM 0 HD13 LEU B 709 75.019 6.578 -2.218 1.00 1.28 H new ATOM 0 HD21 LEU B 709 72.347 8.120 -1.753 1.00 0.87 H new ATOM 0 HD22 LEU B 709 73.577 8.570 -2.958 1.00 0.87 H new ATOM 0 HD23 LEU B 709 71.897 8.278 -3.468 1.00 0.87 H new ATOM 1087 N ALA B 710 72.954 5.447 -7.599 1.00 0.19 N ATOM 1088 CA ALA B 710 73.512 5.557 -8.948 1.00 0.20 C ATOM 1089 C ALA B 710 72.684 6.507 -9.820 1.00 0.19 C ATOM 1090 O ALA B 710 73.230 7.461 -10.377 1.00 0.22 O ATOM 1091 CB ALA B 710 73.648 4.159 -9.603 1.00 0.23 C ATOM 0 H ALA B 710 72.669 4.508 -7.320 1.00 0.19 H new ATOM 0 HA ALA B 710 74.511 5.985 -8.864 1.00 0.20 H new ATOM 0 HB1 ALA B 710 74.065 4.265 -10.605 1.00 0.23 H new ATOM 0 HB2 ALA B 710 74.309 3.537 -8.999 1.00 0.23 H new ATOM 0 HB3 ALA B 710 72.666 3.690 -9.666 1.00 0.23 H new ATOM 1097 N PRO B 711 71.399 6.289 -9.955 1.00 0.18 N ATOM 1098 CA PRO B 711 70.540 7.182 -10.784 1.00 0.19 C ATOM 1099 C PRO B 711 70.658 8.636 -10.338 1.00 0.19 C ATOM 1100 O PRO B 711 70.824 9.545 -11.153 1.00 0.19 O ATOM 1101 CB PRO B 711 69.112 6.651 -10.548 1.00 0.22 C ATOM 1102 CG PRO B 711 69.286 5.239 -10.085 1.00 0.29 C ATOM 1103 CD PRO B 711 70.626 5.191 -9.349 1.00 0.18 C ATOM 0 HA PRO B 711 70.826 7.172 -11.836 1.00 0.19 H new ATOM 0 HB2 PRO B 711 68.589 7.248 -9.801 1.00 0.22 H new ATOM 0 HB3 PRO B 711 68.520 6.695 -11.462 1.00 0.22 H new ATOM 0 HG2 PRO B 711 68.470 4.942 -9.426 1.00 0.29 H new ATOM 0 HG3 PRO B 711 69.281 4.550 -10.929 1.00 0.29 H new ATOM 0 HD2 PRO B 711 70.499 5.336 -8.276 1.00 0.18 H new ATOM 0 HD3 PRO B 711 71.122 4.230 -9.484 1.00 0.18 H new ATOM 1111 N LEU B 712 70.612 8.831 -9.028 1.00 0.21 N ATOM 1112 CA LEU B 712 70.741 10.156 -8.433 1.00 0.23 C ATOM 1113 C LEU B 712 72.145 10.719 -8.660 1.00 0.23 C ATOM 1114 O LEU B 712 72.297 11.899 -8.974 1.00 0.24 O ATOM 1115 CB LEU B 712 70.500 10.039 -6.926 1.00 0.26 C ATOM 1116 CG LEU B 712 69.039 9.657 -6.651 1.00 0.36 C ATOM 1117 CD1 LEU B 712 68.895 9.247 -5.184 1.00 0.96 C ATOM 1118 CD2 LEU B 712 68.100 10.840 -6.953 1.00 1.02 C ATOM 0 H LEU B 712 70.485 8.080 -8.349 1.00 0.21 H new ATOM 0 HA LEU B 712 70.014 10.823 -8.896 1.00 0.23 H new ATOM 0 HB2 LEU B 712 71.166 9.288 -6.501 1.00 0.26 H new ATOM 0 HB3 LEU B 712 70.734 10.985 -6.438 1.00 0.26 H new ATOM 0 HG LEU B 712 68.763 8.825 -7.299 1.00 0.36 H new ATOM 0 HD11 LEU B 712 67.859 8.974 -4.982 1.00 0.96 H new ATOM 0 HD12 LEU B 712 69.541 8.393 -4.980 1.00 0.96 H new ATOM 0 HD13 LEU B 712 69.182 10.081 -4.543 1.00 0.96 H new ATOM 0 HD21 LEU B 712 67.070 10.547 -6.751 1.00 1.02 H new ATOM 0 HD22 LEU B 712 68.367 11.687 -6.321 1.00 1.02 H new ATOM 0 HD23 LEU B 712 68.198 11.124 -8.001 1.00 1.02 H new ATOM 1130 N LEU B 713 73.164 9.882 -8.500 1.00 0.24 N ATOM 1131 CA LEU B 713 74.540 10.331 -8.692 1.00 0.26 C ATOM 1132 C LEU B 713 74.776 10.780 -10.134 1.00 0.25 C ATOM 1133 O LEU B 713 75.409 11.809 -10.367 1.00 0.26 O ATOM 1134 CB LEU B 713 75.529 9.211 -8.329 1.00 0.29 C ATOM 1135 CG LEU B 713 75.712 9.124 -6.802 1.00 0.41 C ATOM 1136 CD1 LEU B 713 76.440 7.819 -6.464 1.00 1.04 C ATOM 1137 CD2 LEU B 713 76.535 10.325 -6.281 1.00 0.81 C ATOM 0 H LEU B 713 73.067 8.900 -8.241 1.00 0.24 H new ATOM 0 HA LEU B 713 74.706 11.182 -8.032 1.00 0.26 H new ATOM 0 HB2 LEU B 713 75.164 8.258 -8.712 1.00 0.29 H new ATOM 0 HB3 LEU B 713 76.491 9.399 -8.806 1.00 0.29 H new ATOM 0 HG LEU B 713 74.733 9.145 -6.324 1.00 0.41 H new ATOM 0 HD11 LEU B 713 76.575 7.747 -5.385 1.00 1.04 H new ATOM 0 HD12 LEU B 713 75.850 6.972 -6.813 1.00 1.04 H new ATOM 0 HD13 LEU B 713 77.414 7.809 -6.953 1.00 1.04 H new ATOM 0 HD21 LEU B 713 76.653 10.244 -5.200 1.00 0.81 H new ATOM 0 HD22 LEU B 713 77.517 10.326 -6.754 1.00 0.81 H new ATOM 0 HD23 LEU B 713 76.016 11.253 -6.521 1.00 0.81 H new ATOM 1149 N ILE B 714 74.244 10.029 -11.095 1.00 0.23 N ATOM 1150 CA ILE B 714 74.406 10.399 -12.495 1.00 0.24 C ATOM 1151 C ILE B 714 73.713 11.721 -12.740 1.00 0.22 C ATOM 1152 O ILE B 714 74.260 12.614 -13.395 1.00 0.22 O ATOM 1153 CB ILE B 714 73.829 9.312 -13.414 1.00 0.27 C ATOM 1154 CG1 ILE B 714 74.692 8.051 -13.275 1.00 0.90 C ATOM 1155 CG2 ILE B 714 73.843 9.781 -14.879 1.00 0.76 C ATOM 1156 CD1 ILE B 714 74.135 6.920 -14.148 1.00 1.43 C ATOM 0 H ILE B 714 73.707 9.177 -10.934 1.00 0.23 H new ATOM 0 HA ILE B 714 75.468 10.497 -12.720 1.00 0.24 H new ATOM 0 HB ILE B 714 72.798 9.104 -13.127 1.00 0.27 H new ATOM 0 HG12 ILE B 714 75.719 8.272 -13.567 1.00 0.90 H new ATOM 0 HG13 ILE B 714 74.718 7.734 -12.232 1.00 0.90 H new ATOM 0 HG21 ILE B 714 73.431 8.998 -15.516 1.00 0.76 H new ATOM 0 HG22 ILE B 714 73.240 10.684 -14.978 1.00 0.76 H new ATOM 0 HG23 ILE B 714 74.868 9.994 -15.183 1.00 0.76 H new ATOM 0 HD11 ILE B 714 74.759 6.034 -14.037 1.00 1.43 H new ATOM 0 HD12 ILE B 714 73.117 6.688 -13.837 1.00 1.43 H new ATOM 0 HD13 ILE B 714 74.133 7.234 -15.192 1.00 1.43 H new ATOM 1168 N TRP B 715 72.498 11.870 -12.210 1.00 0.22 N ATOM 1169 CA TRP B 715 71.732 13.098 -12.361 1.00 0.22 C ATOM 1170 C TRP B 715 72.501 14.262 -11.735 1.00 0.24 C ATOM 1171 O TRP B 715 72.669 15.312 -12.352 1.00 0.25 O ATOM 1172 CB TRP B 715 70.363 12.875 -11.670 1.00 0.24 C ATOM 1173 CG TRP B 715 69.594 14.150 -11.495 1.00 0.19 C ATOM 1174 CD1 TRP B 715 69.754 15.282 -12.212 1.00 0.25 C ATOM 1175 CD2 TRP B 715 68.508 14.413 -10.559 1.00 0.30 C ATOM 1176 NE1 TRP B 715 68.866 16.241 -11.734 1.00 0.24 N ATOM 1177 CE2 TRP B 715 68.071 15.744 -10.729 1.00 0.33 C ATOM 1178 CE3 TRP B 715 67.879 13.631 -9.581 1.00 0.50 C ATOM 1179 CZ2 TRP B 715 67.041 16.281 -9.956 1.00 0.52 C ATOM 1180 CZ3 TRP B 715 66.839 14.162 -8.803 1.00 0.70 C ATOM 1181 CH2 TRP B 715 66.420 15.486 -8.991 1.00 0.71 C ATOM 0 H TRP B 715 72.024 11.146 -11.669 1.00 0.22 H new ATOM 0 HA TRP B 715 71.572 13.346 -13.410 1.00 0.22 H new ATOM 0 HB2 TRP B 715 69.771 12.176 -12.261 1.00 0.24 H new ATOM 0 HB3 TRP B 715 70.522 12.414 -10.695 1.00 0.24 H new ATOM 0 HD1 TRP B 715 70.455 15.421 -13.022 1.00 0.25 H new ATOM 0 HE1 TRP B 715 68.812 17.197 -12.087 1.00 0.24 H new ATOM 0 HE3 TRP B 715 68.197 12.611 -9.425 1.00 0.50 H new ATOM 0 HZ2 TRP B 715 66.727 17.304 -10.103 1.00 0.52 H new ATOM 0 HZ3 TRP B 715 66.359 13.547 -8.056 1.00 0.70 H new ATOM 0 HH2 TRP B 715 65.618 15.890 -8.391 1.00 0.71 H new ATOM 1192 N LYS B 716 72.947 14.070 -10.498 1.00 0.27 N ATOM 1193 CA LYS B 716 73.688 15.106 -9.789 1.00 0.31 C ATOM 1194 C LYS B 716 74.964 15.478 -10.544 1.00 0.32 C ATOM 1195 O LYS B 716 75.314 16.654 -10.651 1.00 0.36 O ATOM 1196 CB LYS B 716 74.060 14.606 -8.385 1.00 0.35 C ATOM 1197 CG LYS B 716 74.671 15.744 -7.526 1.00 0.50 C ATOM 1198 CD LYS B 716 73.595 16.452 -6.671 1.00 0.66 C ATOM 1199 CE LYS B 716 72.710 17.374 -7.522 1.00 0.88 C ATOM 1200 NZ LYS B 716 72.156 18.451 -6.655 1.00 1.03 N ATOM 0 H LYS B 716 72.809 13.210 -9.968 1.00 0.27 H new ATOM 0 HA LYS B 716 73.054 15.990 -9.715 1.00 0.31 H new ATOM 0 HB2 LYS B 716 73.173 14.210 -7.891 1.00 0.35 H new ATOM 0 HB3 LYS B 716 74.773 13.785 -8.466 1.00 0.35 H new ATOM 0 HG2 LYS B 716 75.443 15.334 -6.874 1.00 0.50 H new ATOM 0 HG3 LYS B 716 75.156 16.471 -8.177 1.00 0.50 H new ATOM 0 HD2 LYS B 716 72.973 15.705 -6.177 1.00 0.66 H new ATOM 0 HD3 LYS B 716 74.078 17.034 -5.886 1.00 0.66 H new ATOM 0 HE2 LYS B 716 73.291 17.808 -8.336 1.00 0.88 H new ATOM 0 HE3 LYS B 716 71.900 16.804 -7.977 1.00 0.88 H new ATOM 0 HZ1 LYS B 716 71.118 18.384 -6.638 1.00 1.03 H new ATOM 0 HZ2 LYS B 716 72.526 18.344 -5.689 1.00 1.03 H new ATOM 0 HZ3 LYS B 716 72.436 19.379 -7.032 1.00 1.03 H new ATOM 1214 N LEU B 717 75.671 14.464 -11.035 1.00 0.31 N ATOM 1215 CA LEU B 717 76.931 14.681 -11.739 1.00 0.33 C ATOM 1216 C LEU B 717 76.700 15.499 -13.013 1.00 0.33 C ATOM 1217 O LEU B 717 77.430 16.455 -13.278 1.00 0.37 O ATOM 1218 CB LEU B 717 77.550 13.305 -12.055 1.00 0.32 C ATOM 1219 CG LEU B 717 79.023 13.415 -12.505 1.00 1.20 C ATOM 1220 CD1 LEU B 717 79.864 14.156 -11.441 1.00 1.66 C ATOM 1221 CD2 LEU B 717 79.596 11.991 -12.706 1.00 1.86 C ATOM 0 H LEU B 717 75.393 13.486 -10.959 1.00 0.31 H new ATOM 0 HA LEU B 717 77.620 15.251 -11.116 1.00 0.33 H new ATOM 0 HB2 LEU B 717 77.489 12.670 -11.171 1.00 0.32 H new ATOM 0 HB3 LEU B 717 76.968 12.819 -12.838 1.00 0.32 H new ATOM 0 HG LEU B 717 79.066 13.977 -13.438 1.00 1.20 H new ATOM 0 HD11 LEU B 717 80.899 14.223 -11.777 1.00 1.66 H new ATOM 0 HD12 LEU B 717 79.464 15.159 -11.295 1.00 1.66 H new ATOM 0 HD13 LEU B 717 79.823 13.609 -10.499 1.00 1.66 H new ATOM 0 HD21 LEU B 717 80.636 12.059 -13.024 1.00 1.86 H new ATOM 0 HD22 LEU B 717 79.539 11.440 -11.767 1.00 1.86 H new ATOM 0 HD23 LEU B 717 79.017 11.470 -13.468 1.00 1.86 H new ATOM 1233 N LEU B 718 75.700 15.117 -13.805 1.00 0.31 N ATOM 1234 CA LEU B 718 75.423 15.824 -15.055 1.00 0.33 C ATOM 1235 C LEU B 718 75.076 17.289 -14.786 1.00 0.36 C ATOM 1236 O LEU B 718 75.540 18.177 -15.503 1.00 0.40 O ATOM 1237 CB LEU B 718 74.262 15.150 -15.801 1.00 0.33 C ATOM 1238 CG LEU B 718 74.689 13.768 -16.337 1.00 0.36 C ATOM 1239 CD1 LEU B 718 73.440 12.934 -16.643 1.00 0.69 C ATOM 1240 CD2 LEU B 718 75.488 13.919 -17.641 1.00 0.52 C ATOM 0 H LEU B 718 75.076 14.334 -13.609 1.00 0.31 H new ATOM 0 HA LEU B 718 76.321 15.784 -15.672 1.00 0.33 H new ATOM 0 HB2 LEU B 718 73.409 15.039 -15.132 1.00 0.33 H new ATOM 0 HB3 LEU B 718 73.938 15.782 -16.628 1.00 0.33 H new ATOM 0 HG LEU B 718 75.306 13.282 -15.581 1.00 0.36 H new ATOM 0 HD11 LEU B 718 73.739 11.957 -17.022 1.00 0.69 H new ATOM 0 HD12 LEU B 718 72.855 12.807 -15.732 1.00 0.69 H new ATOM 0 HD13 LEU B 718 72.836 13.445 -17.393 1.00 0.69 H new ATOM 0 HD21 LEU B 718 75.781 12.934 -18.004 1.00 0.52 H new ATOM 0 HD22 LEU B 718 74.871 14.414 -18.391 1.00 0.52 H new ATOM 0 HD23 LEU B 718 76.380 14.517 -17.454 1.00 0.52 H new ATOM 1252 N ILE B 719 74.275 17.550 -13.753 1.00 0.36 N ATOM 1253 CA ILE B 719 73.913 18.928 -13.426 1.00 0.41 C ATOM 1254 C ILE B 719 75.157 19.701 -13.046 1.00 0.42 C ATOM 1255 O ILE B 719 75.356 20.831 -13.494 1.00 0.44 O ATOM 1256 CB ILE B 719 72.889 18.950 -12.258 1.00 0.47 C ATOM 1257 CG1 ILE B 719 71.504 18.429 -12.773 1.00 0.83 C ATOM 1258 CG2 ILE B 719 72.767 20.368 -11.638 1.00 0.81 C ATOM 1259 CD1 ILE B 719 70.325 19.222 -12.182 1.00 1.59 C ATOM 0 H ILE B 719 73.872 16.842 -13.140 1.00 0.36 H new ATOM 0 HA ILE B 719 73.454 19.395 -14.297 1.00 0.41 H new ATOM 0 HB ILE B 719 73.242 18.290 -11.465 1.00 0.47 H new ATOM 0 HG12 ILE B 719 71.475 18.496 -13.861 1.00 0.83 H new ATOM 0 HG13 ILE B 719 71.396 17.375 -12.515 1.00 0.83 H new ATOM 0 HG21 ILE B 719 72.043 20.348 -10.824 1.00 0.81 H new ATOM 0 HG22 ILE B 719 73.737 20.681 -11.253 1.00 0.81 H new ATOM 0 HG23 ILE B 719 72.435 21.072 -12.402 1.00 0.81 H new ATOM 0 HD11 ILE B 719 69.388 18.823 -12.569 1.00 1.59 H new ATOM 0 HD12 ILE B 719 70.336 19.134 -11.096 1.00 1.59 H new ATOM 0 HD13 ILE B 719 70.416 20.272 -12.462 1.00 1.59 H new ATOM 1271 N THR B 720 75.996 19.108 -12.211 1.00 0.43 N ATOM 1272 CA THR B 720 77.196 19.800 -11.784 1.00 0.46 C ATOM 1273 C THR B 720 77.998 20.241 -12.999 1.00 0.46 C ATOM 1274 O THR B 720 78.458 21.369 -13.050 1.00 0.49 O ATOM 1275 CB THR B 720 78.056 18.879 -10.908 1.00 0.49 C ATOM 1276 OG1 THR B 720 77.243 18.288 -9.903 1.00 0.95 O ATOM 1277 CG2 THR B 720 79.171 19.693 -10.245 1.00 1.02 C ATOM 0 H THR B 720 75.872 18.172 -11.825 1.00 0.43 H new ATOM 0 HA THR B 720 76.907 20.676 -11.203 1.00 0.46 H new ATOM 0 HB THR B 720 78.497 18.099 -11.528 1.00 0.49 H new ATOM 0 HG1 THR B 720 76.801 17.492 -10.266 1.00 0.95 H new ATOM 0 HG21 THR B 720 79.780 19.037 -9.623 1.00 1.02 H new ATOM 0 HG22 THR B 720 79.796 20.148 -11.014 1.00 1.02 H new ATOM 0 HG23 THR B 720 78.732 20.475 -9.625 1.00 1.02 H new ATOM 1285 N ILE B 721 78.201 19.348 -13.954 1.00 0.44 N ATOM 1286 CA ILE B 721 78.992 19.696 -15.129 1.00 0.45 C ATOM 1287 C ILE B 721 78.340 20.785 -15.989 1.00 0.45 C ATOM 1288 O ILE B 721 78.990 21.750 -16.385 1.00 0.48 O ATOM 1289 CB ILE B 721 79.248 18.442 -15.973 1.00 0.43 C ATOM 1290 CG1 ILE B 721 80.117 17.482 -15.153 1.00 0.44 C ATOM 1291 CG2 ILE B 721 79.993 18.788 -17.279 1.00 0.46 C ATOM 1292 CD1 ILE B 721 80.519 16.261 -15.992 1.00 1.33 C ATOM 0 H ILE B 721 77.839 18.395 -13.944 1.00 0.44 H new ATOM 0 HA ILE B 721 79.936 20.104 -14.768 1.00 0.45 H new ATOM 0 HB ILE B 721 78.290 17.991 -16.232 1.00 0.43 H new ATOM 0 HG12 ILE B 721 81.011 18.000 -14.805 1.00 0.44 H new ATOM 0 HG13 ILE B 721 79.572 17.157 -14.267 1.00 0.44 H new ATOM 0 HG21 ILE B 721 80.159 17.878 -17.855 1.00 0.46 H new ATOM 0 HG22 ILE B 721 79.394 19.484 -17.866 1.00 0.46 H new ATOM 0 HG23 ILE B 721 80.952 19.247 -17.040 1.00 0.46 H new ATOM 0 HD11 ILE B 721 81.135 15.593 -15.390 1.00 1.33 H new ATOM 0 HD12 ILE B 721 79.623 15.733 -16.318 1.00 1.33 H new ATOM 0 HD13 ILE B 721 81.084 16.589 -16.864 1.00 1.33 H new ATOM 1304 N HIS B 722 77.024 20.657 -16.213 1.00 0.44 N ATOM 1305 CA HIS B 722 76.289 21.673 -16.975 1.00 0.47 C ATOM 1306 C HIS B 722 76.345 22.980 -16.210 1.00 0.50 C ATOM 1307 O HIS B 722 76.368 24.065 -16.783 1.00 0.52 O ATOM 1308 CB HIS B 722 74.815 21.271 -17.142 1.00 0.50 C ATOM 1309 CG HIS B 722 74.678 20.232 -18.215 1.00 0.56 C ATOM 1310 ND1 HIS B 722 74.786 18.878 -17.951 1.00 0.78 N ATOM 1311 CD2 HIS B 722 74.423 20.336 -19.559 1.00 0.91 C ATOM 1312 CE1 HIS B 722 74.596 18.225 -19.111 1.00 1.23 C ATOM 1313 NE2 HIS B 722 74.371 19.067 -20.124 1.00 1.34 N ATOM 0 H HIS B 722 76.457 19.875 -15.884 1.00 0.44 H new ATOM 0 HA HIS B 722 76.743 21.772 -17.961 1.00 0.47 H new ATOM 0 HB2 HIS B 722 74.427 20.884 -16.200 1.00 0.50 H new ATOM 0 HB3 HIS B 722 74.218 22.147 -17.396 1.00 0.50 H new ATOM 0 HD1 HIS B 722 74.975 18.453 -17.043 1.00 0.78 H new ATOM 0 HD2 HIS B 722 74.284 21.263 -20.096 1.00 0.91 H new ATOM 0 HE1 HIS B 722 74.622 17.150 -19.212 1.00 1.23 H new