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 72:sc= 0.595 USER MOD Single : A 987 MET CE :methyl 180:sc= -0.895 (180deg=-0.895) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 699 SER OG : rot -6:sc= -0.304 USER MOD Single : B 701 MET CE :methyl 133:sc= -0.129 (180deg=-1.08) USER MOD Single : B 716 LYS NZ :NH3+ 152:sc= -0.146! (180deg=-1.75!) USER MOD Single : B 720 THR OG1 : rot -8:sc= 0.405 USER MOD Single : B 722 HIS : no HE2:sc= 0.499 K(o=0.5,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 966 64.356 -16.399 3.563 1.00 1.00 N ATOM 137 CA ILE A 966 63.090 -15.726 3.306 1.00 1.00 C ATOM 138 C ILE A 966 62.974 -14.394 4.053 1.00 1.00 C ATOM 139 O ILE A 966 62.839 -13.339 3.433 1.00 1.00 O ATOM 140 CB ILE A 966 61.934 -16.638 3.717 1.00 1.00 C ATOM 141 CG1 ILE A 966 61.919 -17.870 2.808 1.00 1.00 C ATOM 142 CG2 ILE A 966 60.613 -15.880 3.582 1.00 1.00 C ATOM 143 CD1 ILE A 966 60.961 -18.922 3.372 1.00 1.00 C ATOM 0 HA ILE A 966 63.047 -15.510 2.238 1.00 1.00 H new ATOM 0 HB ILE A 966 62.062 -16.951 4.753 1.00 1.00 H new ATOM 0 HG12 ILE A 966 61.610 -17.587 1.802 1.00 1.00 H new ATOM 0 HG13 ILE A 966 62.923 -18.286 2.728 1.00 1.00 H new ATOM 0 HG21 ILE A 966 59.789 -16.530 3.875 1.00 1.00 H new ATOM 0 HG22 ILE A 966 60.630 -15.002 4.228 1.00 1.00 H new ATOM 0 HG23 ILE A 966 60.477 -15.567 2.547 1.00 1.00 H new ATOM 0 HD11 ILE A 966 60.955 -19.796 2.720 1.00 1.00 H new ATOM 0 HD12 ILE A 966 61.289 -19.215 4.369 1.00 1.00 H new ATOM 0 HD13 ILE A 966 59.955 -18.505 3.429 1.00 1.00 H new ATOM 155 N TRP A 967 62.975 -14.457 5.388 1.00 1.00 N ATOM 156 CA TRP A 967 62.809 -13.242 6.190 1.00 1.00 C ATOM 157 C TRP A 967 63.968 -12.258 6.034 1.00 1.00 C ATOM 158 O TRP A 967 63.744 -11.067 5.821 1.00 1.00 O ATOM 159 CB TRP A 967 62.667 -13.592 7.674 1.00 1.00 C ATOM 160 CG TRP A 967 62.713 -15.071 7.870 1.00 1.00 C ATOM 161 CD1 TRP A 967 63.822 -15.828 7.733 1.00 1.00 C ATOM 162 CD2 TRP A 967 61.639 -15.981 8.253 1.00 1.00 C ATOM 163 NE1 TRP A 967 63.508 -17.139 8.022 1.00 1.00 N ATOM 164 CE2 TRP A 967 62.172 -17.288 8.343 1.00 1.00 C ATOM 165 CE3 TRP A 967 60.272 -15.801 8.532 1.00 1.00 C ATOM 166 CZ2 TRP A 967 61.377 -18.379 8.697 1.00 1.00 C ATOM 167 CZ3 TRP A 967 59.468 -16.897 8.886 1.00 1.00 C ATOM 168 CH2 TRP A 967 60.020 -18.184 8.969 1.00 1.00 C ATOM 0 H TRP A 967 63.086 -15.316 5.926 1.00 1.00 H new ATOM 0 HA TRP A 967 61.904 -12.761 5.819 1.00 1.00 H new ATOM 0 HB2 TRP A 967 63.467 -13.119 8.243 1.00 1.00 H new ATOM 0 HB3 TRP A 967 61.726 -13.198 8.058 1.00 1.00 H new ATOM 0 HD1 TRP A 967 64.797 -15.465 7.444 1.00 1.00 H new ATOM 0 HE1 TRP A 967 64.180 -17.906 8.001 1.00 1.00 H new ATOM 0 HE3 TRP A 967 59.838 -14.814 8.474 1.00 1.00 H new ATOM 0 HZ2 TRP A 967 61.808 -19.367 8.760 1.00 1.00 H new ATOM 0 HZ3 TRP A 967 58.419 -16.748 9.095 1.00 1.00 H new ATOM 0 HH2 TRP A 967 59.397 -19.023 9.243 1.00 1.00 H new ATOM 179 N TRP A 968 65.198 -12.733 6.217 1.00 1.00 N ATOM 180 CA TRP A 968 66.364 -11.851 6.172 1.00 1.00 C ATOM 181 C TRP A 968 66.434 -11.114 4.838 1.00 1.00 C ATOM 182 O TRP A 968 66.730 -9.918 4.817 1.00 1.00 O ATOM 183 CB TRP A 968 67.661 -12.662 6.330 1.00 1.00 C ATOM 184 CG TRP A 968 67.497 -13.765 7.332 1.00 1.00 C ATOM 185 CD1 TRP A 968 66.557 -13.825 8.304 1.00 1.00 C ATOM 186 CD2 TRP A 968 68.299 -14.977 7.466 1.00 1.00 C ATOM 187 NE1 TRP A 968 66.724 -15.008 9.008 1.00 1.00 N ATOM 188 CE2 TRP A 968 67.781 -15.744 8.532 1.00 1.00 C ATOM 189 CE3 TRP A 968 69.414 -15.481 6.771 1.00 1.00 C ATOM 190 CZ2 TRP A 968 68.343 -16.968 8.895 1.00 1.00 C ATOM 191 CZ3 TRP A 968 69.984 -16.713 7.134 1.00 1.00 C ATOM 192 CH2 TRP A 968 69.447 -17.455 8.195 1.00 1.00 C ATOM 0 H TRP A 968 65.413 -13.714 6.396 1.00 1.00 H new ATOM 0 HA TRP A 968 66.262 -11.137 6.989 1.00 1.00 H new ATOM 0 HB2 TRP A 968 67.948 -13.083 5.367 1.00 1.00 H new ATOM 0 HB3 TRP A 968 68.469 -12.001 6.643 1.00 1.00 H new ATOM 0 HD1 TRP A 968 65.803 -13.077 8.499 1.00 1.00 H new ATOM 0 HE1 TRP A 968 66.132 -15.297 9.787 1.00 1.00 H new ATOM 0 HE3 TRP A 968 69.835 -14.916 5.952 1.00 1.00 H new ATOM 0 HZ2 TRP A 968 67.926 -17.536 9.714 1.00 1.00 H new ATOM 0 HZ3 TRP A 968 70.840 -17.090 6.593 1.00 1.00 H new ATOM 0 HH2 TRP A 968 69.887 -18.402 8.470 1.00 1.00 H new ATOM 203 N VAL A 969 66.143 -11.786 3.734 1.00 1.00 N ATOM 204 CA VAL A 969 66.176 -11.099 2.447 1.00 1.00 C ATOM 205 C VAL A 969 65.104 -10.008 2.401 1.00 1.00 C ATOM 206 O VAL A 969 65.360 -8.881 1.972 1.00 1.00 O ATOM 207 CB VAL A 969 65.941 -12.095 1.310 1.00 1.00 C ATOM 208 CG1 VAL A 969 65.760 -11.336 -0.007 1.00 1.00 C ATOM 209 CG2 VAL A 969 67.142 -13.035 1.193 1.00 1.00 C ATOM 0 H VAL A 969 65.889 -12.773 3.698 1.00 1.00 H new ATOM 0 HA VAL A 969 67.158 -10.641 2.325 1.00 1.00 H new ATOM 0 HB VAL A 969 65.044 -12.677 1.522 1.00 1.00 H new ATOM 0 HG11 VAL A 969 65.593 -12.047 -0.816 1.00 1.00 H new ATOM 0 HG12 VAL A 969 64.902 -10.668 0.073 1.00 1.00 H new ATOM 0 HG13 VAL A 969 66.656 -10.752 -0.216 1.00 1.00 H new ATOM 0 HG21 VAL A 969 66.972 -13.743 0.382 1.00 1.00 H new ATOM 0 HG22 VAL A 969 68.040 -12.454 0.984 1.00 1.00 H new ATOM 0 HG23 VAL A 969 67.271 -13.579 2.129 1.00 1.00 H new ATOM 219 N LEU A 970 63.894 -10.372 2.833 1.00 1.00 N ATOM 220 CA LEU A 970 62.765 -9.447 2.831 1.00 1.00 C ATOM 221 C LEU A 970 63.008 -8.259 3.757 1.00 1.00 C ATOM 222 O LEU A 970 62.693 -7.122 3.411 1.00 1.00 O ATOM 223 CB LEU A 970 61.495 -10.180 3.268 1.00 1.00 C ATOM 224 CG LEU A 970 61.080 -11.177 2.179 1.00 1.00 C ATOM 225 CD1 LEU A 970 59.965 -12.076 2.710 1.00 1.00 C ATOM 226 CD2 LEU A 970 60.579 -10.431 0.934 1.00 1.00 C ATOM 0 H LEU A 970 63.674 -11.302 3.188 1.00 1.00 H new ATOM 0 HA LEU A 970 62.648 -9.068 1.816 1.00 1.00 H new ATOM 0 HB2 LEU A 970 61.670 -10.704 4.208 1.00 1.00 H new ATOM 0 HB3 LEU A 970 60.692 -9.464 3.446 1.00 1.00 H new ATOM 0 HG LEU A 970 61.946 -11.780 1.907 1.00 1.00 H new ATOM 0 HD11 LEU A 970 59.670 -12.785 1.936 1.00 1.00 H new ATOM 0 HD12 LEU A 970 60.322 -12.621 3.584 1.00 1.00 H new ATOM 0 HD13 LEU A 970 59.107 -11.465 2.989 1.00 1.00 H new ATOM 0 HD21 LEU A 970 60.288 -11.152 0.170 1.00 1.00 H new ATOM 0 HD22 LEU A 970 59.719 -9.817 1.200 1.00 1.00 H new ATOM 0 HD23 LEU A 970 61.374 -9.794 0.547 1.00 1.00 H new ATOM 238 N VAL A 971 63.551 -8.526 4.939 1.00 1.00 N ATOM 239 CA VAL A 971 63.813 -7.471 5.913 1.00 1.00 C ATOM 240 C VAL A 971 64.847 -6.474 5.392 1.00 1.00 C ATOM 241 O VAL A 971 64.680 -5.261 5.542 1.00 1.00 O ATOM 242 CB VAL A 971 64.309 -8.093 7.219 1.00 1.00 C ATOM 243 CG1 VAL A 971 64.779 -6.991 8.169 1.00 1.00 C ATOM 244 CG2 VAL A 971 63.169 -8.876 7.872 1.00 1.00 C ATOM 0 H VAL A 971 63.818 -9.461 5.246 1.00 1.00 H new ATOM 0 HA VAL A 971 62.883 -6.931 6.088 1.00 1.00 H new ATOM 0 HB VAL A 971 65.141 -8.765 7.007 1.00 1.00 H new ATOM 0 HG11 VAL A 971 65.132 -7.438 9.099 1.00 1.00 H new ATOM 0 HG12 VAL A 971 65.591 -6.432 7.704 1.00 1.00 H new ATOM 0 HG13 VAL A 971 63.950 -6.317 8.382 1.00 1.00 H new ATOM 0 HG21 VAL A 971 63.520 -9.321 8.803 1.00 1.00 H new ATOM 0 HG22 VAL A 971 62.338 -8.202 8.082 1.00 1.00 H new ATOM 0 HG23 VAL A 971 62.835 -9.664 7.197 1.00 1.00 H new ATOM 254 N GLY A 972 65.921 -6.986 4.803 1.00 1.00 N ATOM 255 CA GLY A 972 66.969 -6.110 4.296 1.00 1.00 C ATOM 256 C GLY A 972 66.447 -5.188 3.209 1.00 1.00 C ATOM 257 O GLY A 972 66.839 -4.024 3.130 1.00 1.00 O ATOM 0 H GLY A 972 66.088 -7.983 4.666 1.00 1.00 H new ATOM 0 HA2 GLY A 972 67.375 -5.516 5.114 1.00 1.00 H new ATOM 0 HA3 GLY A 972 67.788 -6.711 3.902 1.00 1.00 H new ATOM 261 N VAL A 973 65.568 -5.711 2.373 1.00 1.00 N ATOM 262 CA VAL A 973 65.011 -4.919 1.293 1.00 1.00 C ATOM 263 C VAL A 973 64.228 -3.735 1.850 1.00 1.00 C ATOM 264 O VAL A 973 64.375 -2.612 1.370 1.00 1.00 O ATOM 265 CB VAL A 973 64.092 -5.785 0.433 1.00 1.00 C ATOM 266 CG1 VAL A 973 63.312 -4.898 -0.539 1.00 1.00 C ATOM 267 CG2 VAL A 973 64.932 -6.788 -0.359 1.00 1.00 C ATOM 0 H VAL A 973 65.228 -6.671 2.420 1.00 1.00 H new ATOM 0 HA VAL A 973 65.830 -4.542 0.680 1.00 1.00 H new ATOM 0 HB VAL A 973 63.394 -6.320 1.076 1.00 1.00 H new ATOM 0 HG11 VAL A 973 62.657 -5.518 -1.152 1.00 1.00 H new ATOM 0 HG12 VAL A 973 62.713 -4.182 0.023 1.00 1.00 H new ATOM 0 HG13 VAL A 973 64.010 -4.362 -1.182 1.00 1.00 H new ATOM 0 HG21 VAL A 973 64.277 -7.406 -0.973 1.00 1.00 H new ATOM 0 HG22 VAL A 973 65.631 -6.251 -1.001 1.00 1.00 H new ATOM 0 HG23 VAL A 973 65.488 -7.422 0.331 1.00 1.00 H new ATOM 277 N LEU A 974 63.387 -3.986 2.856 1.00 1.00 N ATOM 278 CA LEU A 974 62.583 -2.923 3.449 1.00 1.00 C ATOM 279 C LEU A 974 63.451 -1.851 4.109 1.00 1.00 C ATOM 280 O LEU A 974 63.187 -0.658 3.974 1.00 1.00 O ATOM 281 CB LEU A 974 61.633 -3.511 4.496 1.00 1.00 C ATOM 282 CG LEU A 974 60.562 -4.365 3.804 1.00 1.00 C ATOM 283 CD1 LEU A 974 59.755 -5.122 4.859 1.00 1.00 C ATOM 284 CD2 LEU A 974 59.615 -3.475 2.985 1.00 1.00 C ATOM 0 H LEU A 974 63.248 -4.907 3.271 1.00 1.00 H new ATOM 0 HA LEU A 974 62.017 -2.455 2.644 1.00 1.00 H new ATOM 0 HB2 LEU A 974 62.192 -4.119 5.207 1.00 1.00 H new ATOM 0 HB3 LEU A 974 61.161 -2.709 5.064 1.00 1.00 H new ATOM 0 HG LEU A 974 61.054 -5.071 3.135 1.00 1.00 H new ATOM 0 HD11 LEU A 974 58.994 -5.729 4.369 1.00 1.00 H new ATOM 0 HD12 LEU A 974 60.420 -5.768 5.432 1.00 1.00 H new ATOM 0 HD13 LEU A 974 59.274 -4.410 5.530 1.00 1.00 H new ATOM 0 HD21 LEU A 974 58.861 -4.095 2.500 1.00 1.00 H new ATOM 0 HD22 LEU A 974 59.126 -2.759 3.646 1.00 1.00 H new ATOM 0 HD23 LEU A 974 60.185 -2.938 2.227 1.00 1.00 H new ATOM 296 N GLY A 975 64.481 -2.287 4.835 1.00 1.00 N ATOM 297 CA GLY A 975 65.366 -1.347 5.523 1.00 1.00 C ATOM 298 C GLY A 975 66.159 -0.497 4.536 1.00 1.00 C ATOM 299 O GLY A 975 66.257 0.721 4.690 1.00 1.00 O ATOM 0 H GLY A 975 64.721 -3.270 4.961 1.00 1.00 H new ATOM 0 HA2 GLY A 975 64.776 -0.698 6.170 1.00 1.00 H new ATOM 0 HA3 GLY A 975 66.054 -1.897 6.165 1.00 1.00 H new ATOM 303 N GLY A 976 66.706 -1.136 3.513 1.00 1.00 N ATOM 304 CA GLY A 976 67.467 -0.408 2.512 1.00 1.00 C ATOM 305 C GLY A 976 66.570 0.628 1.833 1.00 1.00 C ATOM 306 O GLY A 976 66.986 1.758 1.599 1.00 1.00 O ATOM 0 H GLY A 976 66.639 -2.142 3.356 1.00 1.00 H new ATOM 0 HA2 GLY A 976 68.320 0.085 2.978 1.00 1.00 H new ATOM 0 HA3 GLY A 976 67.865 -1.100 1.770 1.00 1.00 H new ATOM 310 N LEU A 977 65.334 0.243 1.538 1.00 1.00 N ATOM 311 CA LEU A 977 64.394 1.169 0.903 1.00 1.00 C ATOM 312 C LEU A 977 64.082 2.359 1.823 1.00 1.00 C ATOM 313 O LEU A 977 64.011 3.499 1.361 1.00 1.00 O ATOM 314 CB LEU A 977 63.093 0.428 0.567 1.00 1.00 C ATOM 315 CG LEU A 977 62.078 1.378 -0.086 1.00 1.00 C ATOM 316 CD1 LEU A 977 62.680 1.998 -1.346 1.00 1.00 C ATOM 317 CD2 LEU A 977 60.822 0.591 -0.466 1.00 1.00 C ATOM 0 H LEU A 977 64.960 -0.688 1.723 1.00 1.00 H new ATOM 0 HA LEU A 977 64.853 1.551 -0.009 1.00 1.00 H new ATOM 0 HB2 LEU A 977 63.306 -0.403 -0.106 1.00 1.00 H new ATOM 0 HB3 LEU A 977 62.667 0.002 1.475 1.00 1.00 H new ATOM 0 HG LEU A 977 61.823 2.169 0.619 1.00 1.00 H new ATOM 0 HD11 LEU A 977 61.954 2.670 -1.803 1.00 1.00 H new ATOM 0 HD12 LEU A 977 63.578 2.558 -1.083 1.00 1.00 H new ATOM 0 HD13 LEU A 977 62.938 1.209 -2.052 1.00 1.00 H new ATOM 0 HD21 LEU A 977 60.099 1.262 -0.930 1.00 1.00 H new ATOM 0 HD22 LEU A 977 61.087 -0.199 -1.168 1.00 1.00 H new ATOM 0 HD23 LEU A 977 60.385 0.149 0.429 1.00 1.00 H new ATOM 329 N LEU A 978 63.872 2.095 3.111 1.00 1.00 N ATOM 330 CA LEU A 978 63.546 3.174 4.050 1.00 1.00 C ATOM 331 C LEU A 978 64.689 4.188 4.165 1.00 1.00 C ATOM 332 O LEU A 978 64.456 5.399 4.163 1.00 1.00 O ATOM 333 CB LEU A 978 63.242 2.573 5.428 1.00 1.00 C ATOM 334 CG LEU A 978 62.911 3.674 6.440 1.00 1.00 C ATOM 335 CD1 LEU A 978 61.726 4.510 5.945 1.00 1.00 C ATOM 336 CD2 LEU A 978 62.545 3.022 7.774 1.00 1.00 C ATOM 0 H LEU A 978 63.919 1.164 3.525 1.00 1.00 H new ATOM 0 HA LEU A 978 62.671 3.703 3.671 1.00 1.00 H new ATOM 0 HB2 LEU A 978 62.404 1.880 5.351 1.00 1.00 H new ATOM 0 HB3 LEU A 978 64.100 1.998 5.777 1.00 1.00 H new ATOM 0 HG LEU A 978 63.776 4.325 6.561 1.00 1.00 H new ATOM 0 HD11 LEU A 978 61.501 5.289 6.673 1.00 1.00 H new ATOM 0 HD12 LEU A 978 61.979 4.969 4.989 1.00 1.00 H new ATOM 0 HD13 LEU A 978 60.854 3.867 5.820 1.00 1.00 H new ATOM 0 HD21 LEU A 978 62.307 3.796 8.504 1.00 1.00 H new ATOM 0 HD22 LEU A 978 61.679 2.374 7.637 1.00 1.00 H new ATOM 0 HD23 LEU A 978 63.387 2.431 8.133 1.00 1.00 H new ATOM 348 N LEU A 979 65.916 3.693 4.271 1.00 1.00 N ATOM 349 CA LEU A 979 67.058 4.605 4.392 1.00 1.00 C ATOM 350 C LEU A 979 67.181 5.473 3.139 1.00 1.00 C ATOM 351 O LEU A 979 67.436 6.671 3.229 1.00 1.00 O ATOM 352 CB LEU A 979 68.372 3.831 4.607 1.00 1.00 C ATOM 353 CG LEU A 979 68.580 3.472 6.091 1.00 1.00 C ATOM 354 CD1 LEU A 979 67.647 2.333 6.517 1.00 1.00 C ATOM 355 CD2 LEU A 979 70.033 3.027 6.295 1.00 1.00 C ATOM 0 H LEU A 979 66.148 2.700 4.276 1.00 1.00 H new ATOM 0 HA LEU A 979 66.882 5.239 5.261 1.00 1.00 H new ATOM 0 HB2 LEU A 979 68.360 2.920 4.009 1.00 1.00 H new ATOM 0 HB3 LEU A 979 69.211 4.432 4.256 1.00 1.00 H new ATOM 0 HG LEU A 979 68.356 4.350 6.697 1.00 1.00 H new ATOM 0 HD11 LEU A 979 67.814 2.100 7.568 1.00 1.00 H new ATOM 0 HD12 LEU A 979 66.611 2.639 6.374 1.00 1.00 H new ATOM 0 HD13 LEU A 979 67.852 1.450 5.912 1.00 1.00 H new ATOM 0 HD21 LEU A 979 70.191 2.770 7.342 1.00 1.00 H new ATOM 0 HD22 LEU A 979 70.237 2.155 5.673 1.00 1.00 H new ATOM 0 HD23 LEU A 979 70.705 3.838 6.015 1.00 1.00 H new ATOM 367 N LEU A 980 66.997 4.867 1.977 1.00 1.00 N ATOM 368 CA LEU A 980 67.094 5.596 0.715 1.00 1.00 C ATOM 369 C LEU A 980 66.019 6.674 0.627 1.00 1.00 C ATOM 370 O LEU A 980 66.278 7.779 0.153 1.00 1.00 O ATOM 371 CB LEU A 980 66.984 4.633 -0.473 1.00 1.00 C ATOM 372 CG LEU A 980 68.373 4.064 -0.860 1.00 1.00 C ATOM 373 CD1 LEU A 980 69.236 5.167 -1.497 1.00 1.00 C ATOM 374 CD2 LEU A 980 69.116 3.505 0.362 1.00 1.00 C ATOM 0 H LEU A 980 66.780 3.875 1.878 1.00 1.00 H new ATOM 0 HA LEU A 980 68.069 6.082 0.679 1.00 1.00 H new ATOM 0 HB2 LEU A 980 66.310 3.815 -0.221 1.00 1.00 H new ATOM 0 HB3 LEU A 980 66.549 5.152 -1.327 1.00 1.00 H new ATOM 0 HG LEU A 980 68.206 3.254 -1.570 1.00 1.00 H new ATOM 0 HD11 LEU A 980 70.210 4.758 -1.765 1.00 1.00 H new ATOM 0 HD12 LEU A 980 68.742 5.544 -2.392 1.00 1.00 H new ATOM 0 HD13 LEU A 980 69.369 5.982 -0.785 1.00 1.00 H new ATOM 0 HD21 LEU A 980 70.085 3.115 0.051 1.00 1.00 H new ATOM 0 HD22 LEU A 980 69.262 4.299 1.094 1.00 1.00 H new ATOM 0 HD23 LEU A 980 68.529 2.703 0.809 1.00 1.00 H new ATOM 386 N THR A 981 64.821 6.357 1.093 1.00 1.00 N ATOM 387 CA THR A 981 63.739 7.335 1.055 1.00 1.00 C ATOM 388 C THR A 981 64.123 8.554 1.893 1.00 1.00 C ATOM 389 O THR A 981 63.911 9.691 1.470 1.00 1.00 O ATOM 390 CB THR A 981 62.449 6.719 1.599 1.00 1.00 C ATOM 391 OG1 THR A 981 62.061 5.634 0.768 1.00 1.00 O ATOM 392 CG2 THR A 981 61.341 7.771 1.610 1.00 1.00 C ATOM 0 H THR A 981 64.574 5.452 1.494 1.00 1.00 H new ATOM 0 HA THR A 981 63.573 7.641 0.022 1.00 1.00 H new ATOM 0 HB THR A 981 62.618 6.362 2.615 1.00 1.00 H new ATOM 0 HG1 THR A 981 62.670 4.879 0.909 1.00 1.00 H new ATOM 0 HG21 THR A 981 60.423 7.329 1.998 1.00 1.00 H new ATOM 0 HG22 THR A 981 61.638 8.606 2.245 1.00 1.00 H new ATOM 0 HG23 THR A 981 61.170 8.130 0.595 1.00 1.00 H new ATOM 400 N ILE A 982 64.661 8.319 3.087 1.00 1.00 N ATOM 401 CA ILE A 982 65.037 9.418 3.970 1.00 1.00 C ATOM 402 C ILE A 982 66.131 10.289 3.350 1.00 1.00 C ATOM 403 O ILE A 982 66.048 11.514 3.396 1.00 1.00 O ATOM 404 CB ILE A 982 65.531 8.860 5.305 1.00 1.00 C ATOM 405 CG1 ILE A 982 64.374 8.183 6.068 1.00 1.00 C ATOM 406 CG2 ILE A 982 66.131 9.986 6.150 1.00 1.00 C ATOM 407 CD1 ILE A 982 63.236 9.175 6.378 1.00 1.00 C ATOM 0 H ILE A 982 64.845 7.388 3.462 1.00 1.00 H new ATOM 0 HA ILE A 982 64.154 10.038 4.125 1.00 1.00 H new ATOM 0 HB ILE A 982 66.300 8.113 5.109 1.00 1.00 H new ATOM 0 HG12 ILE A 982 63.984 7.355 5.476 1.00 1.00 H new ATOM 0 HG13 ILE A 982 64.751 7.760 6.999 1.00 1.00 H new ATOM 0 HG21 ILE A 982 66.481 9.581 7.100 1.00 1.00 H new ATOM 0 HG22 ILE A 982 66.969 10.435 5.616 1.00 1.00 H new ATOM 0 HG23 ILE A 982 65.371 10.745 6.337 1.00 1.00 H new ATOM 0 HD11 ILE A 982 62.440 8.659 6.916 1.00 1.00 H new ATOM 0 HD12 ILE A 982 63.620 9.989 6.992 1.00 1.00 H new ATOM 0 HD13 ILE A 982 62.841 9.579 5.446 1.00 1.00 H new ATOM 419 N LEU A 983 67.148 9.664 2.762 1.00 1.00 N ATOM 420 CA LEU A 983 68.226 10.432 2.136 1.00 1.00 C ATOM 421 C LEU A 983 67.694 11.270 0.971 1.00 1.00 C ATOM 422 O LEU A 983 68.087 12.423 0.802 1.00 1.00 O ATOM 423 CB LEU A 983 69.346 9.507 1.619 1.00 1.00 C ATOM 424 CG LEU A 983 70.343 9.151 2.736 1.00 1.00 C ATOM 425 CD1 LEU A 983 69.736 8.152 3.721 1.00 1.00 C ATOM 426 CD2 LEU A 983 71.586 8.523 2.108 1.00 1.00 C ATOM 0 H LEU A 983 67.250 8.651 2.705 1.00 1.00 H new ATOM 0 HA LEU A 983 68.635 11.092 2.901 1.00 1.00 H new ATOM 0 HB2 LEU A 983 68.908 8.594 1.216 1.00 1.00 H new ATOM 0 HB3 LEU A 983 69.874 9.996 0.800 1.00 1.00 H new ATOM 0 HG LEU A 983 70.596 10.064 3.275 1.00 1.00 H new ATOM 0 HD11 LEU A 983 70.464 7.920 4.499 1.00 1.00 H new ATOM 0 HD12 LEU A 983 68.845 8.585 4.176 1.00 1.00 H new ATOM 0 HD13 LEU A 983 69.466 7.238 3.192 1.00 1.00 H new ATOM 0 HD21 LEU A 983 72.299 8.267 2.891 1.00 1.00 H new ATOM 0 HD22 LEU A 983 71.303 7.621 1.565 1.00 1.00 H new ATOM 0 HD23 LEU A 983 72.043 9.233 1.419 1.00 1.00 H new ATOM 438 N VAL A 984 66.813 10.687 0.162 1.00 1.00 N ATOM 439 CA VAL A 984 66.260 11.401 -0.985 1.00 1.00 C ATOM 440 C VAL A 984 65.467 12.625 -0.537 1.00 1.00 C ATOM 441 O VAL A 984 65.613 13.709 -1.100 1.00 1.00 O ATOM 442 CB VAL A 984 65.346 10.469 -1.784 1.00 1.00 C ATOM 443 CG1 VAL A 984 64.602 11.274 -2.853 1.00 1.00 C ATOM 444 CG2 VAL A 984 66.190 9.379 -2.451 1.00 1.00 C ATOM 0 H VAL A 984 66.470 9.733 0.277 1.00 1.00 H new ATOM 0 HA VAL A 984 67.089 11.733 -1.611 1.00 1.00 H new ATOM 0 HB VAL A 984 64.621 10.006 -1.115 1.00 1.00 H new ATOM 0 HG11 VAL A 984 63.951 10.610 -3.422 1.00 1.00 H new ATOM 0 HG12 VAL A 984 64.002 12.047 -2.374 1.00 1.00 H new ATOM 0 HG13 VAL A 984 65.323 11.739 -3.526 1.00 1.00 H new ATOM 0 HG21 VAL A 984 65.541 8.714 -3.021 1.00 1.00 H new ATOM 0 HG22 VAL A 984 66.916 9.840 -3.121 1.00 1.00 H new ATOM 0 HG23 VAL A 984 66.715 8.806 -1.686 1.00 1.00 H new ATOM 454 N LEU A 985 64.632 12.449 0.483 1.00 1.00 N ATOM 455 CA LEU A 985 63.828 13.552 0.990 1.00 1.00 C ATOM 456 C LEU A 985 64.729 14.648 1.549 1.00 1.00 C ATOM 457 O LEU A 985 64.467 15.830 1.337 1.00 1.00 O ATOM 458 CB LEU A 985 62.883 13.058 2.086 1.00 1.00 C ATOM 459 CG LEU A 985 61.806 12.158 1.470 1.00 1.00 C ATOM 460 CD1 LEU A 985 60.996 11.499 2.589 1.00 1.00 C ATOM 461 CD2 LEU A 985 60.860 12.983 0.579 1.00 1.00 C ATOM 0 H LEU A 985 64.496 11.563 0.969 1.00 1.00 H new ATOM 0 HA LEU A 985 63.240 13.957 0.167 1.00 1.00 H new ATOM 0 HB2 LEU A 985 63.443 12.507 2.842 1.00 1.00 H new ATOM 0 HB3 LEU A 985 62.418 13.906 2.589 1.00 1.00 H new ATOM 0 HG LEU A 985 62.291 11.396 0.860 1.00 1.00 H new ATOM 0 HD11 LEU A 985 60.229 10.858 2.154 1.00 1.00 H new ATOM 0 HD12 LEU A 985 61.659 10.900 3.213 1.00 1.00 H new ATOM 0 HD13 LEU A 985 60.523 12.269 3.198 1.00 1.00 H new ATOM 0 HD21 LEU A 985 60.102 12.328 0.150 1.00 1.00 H new ATOM 0 HD22 LEU A 985 60.376 13.755 1.178 1.00 1.00 H new ATOM 0 HD23 LEU A 985 61.431 13.451 -0.223 1.00 1.00 H new ATOM 473 N ALA A 986 65.776 14.253 2.272 1.00 1.00 N ATOM 474 CA ALA A 986 66.682 15.239 2.862 1.00 1.00 C ATOM 475 C ALA A 986 67.385 16.062 1.783 1.00 1.00 C ATOM 476 O ALA A 986 67.502 17.283 1.901 1.00 1.00 O ATOM 477 CB ALA A 986 67.733 14.534 3.710 1.00 1.00 C ATOM 0 H ALA A 986 66.015 13.280 2.461 1.00 1.00 H new ATOM 0 HA ALA A 986 66.087 15.910 3.482 1.00 1.00 H new ATOM 0 HB1 ALA A 986 68.404 15.274 4.146 1.00 1.00 H new ATOM 0 HB2 ALA A 986 67.242 13.975 4.507 1.00 1.00 H new ATOM 0 HB3 ALA A 986 68.305 13.849 3.085 1.00 1.00 H new ATOM 483 N MET A 987 67.839 15.395 0.724 1.00 1.00 N ATOM 484 CA MET A 987 68.524 16.093 -0.360 1.00 1.00 C ATOM 485 C MET A 987 67.571 17.074 -1.060 1.00 1.00 C ATOM 486 O MET A 987 67.948 18.192 -1.414 1.00 1.00 O ATOM 487 CB MET A 987 69.071 15.088 -1.371 1.00 1.00 C ATOM 488 CG MET A 987 70.265 14.348 -0.755 1.00 1.00 C ATOM 489 SD MET A 987 70.888 13.090 -1.906 1.00 1.00 S ATOM 490 CE MET A 987 71.645 14.210 -3.114 1.00 1.00 C ATOM 0 H MET A 987 67.747 14.387 0.594 1.00 1.00 H new ATOM 0 HA MET A 987 69.353 16.658 0.066 1.00 1.00 H new ATOM 0 HB2 MET A 987 68.294 14.377 -1.652 1.00 1.00 H new ATOM 0 HB3 MET A 987 69.378 15.602 -2.282 1.00 1.00 H new ATOM 0 HG2 MET A 987 71.058 15.057 -0.517 1.00 1.00 H new ATOM 0 HG3 MET A 987 69.966 13.878 0.182 1.00 1.00 H new ATOM 0 HE1 MET A 987 72.093 13.628 -3.919 1.00 1.00 H new ATOM 0 HE2 MET A 987 70.882 14.871 -3.526 1.00 1.00 H new ATOM 0 HE3 MET A 987 72.415 14.806 -2.625 1.00 1.00 H new ATOM 500 N TRP A 988 66.334 16.645 -1.256 1.00 1.00 N ATOM 501 CA TRP A 988 65.336 17.498 -1.905 1.00 1.00 C ATOM 502 C TRP A 988 65.027 18.723 -1.036 1.00 1.00 C ATOM 503 O TRP A 988 64.913 19.839 -1.546 1.00 1.00 O ATOM 504 CB TRP A 988 64.050 16.698 -2.146 1.00 1.00 C ATOM 505 CG TRP A 988 62.936 17.611 -2.563 1.00 1.00 C ATOM 506 CD1 TRP A 988 63.075 18.760 -3.270 1.00 1.00 C ATOM 507 CD2 TRP A 988 61.511 17.459 -2.310 1.00 1.00 C ATOM 508 NE1 TRP A 988 61.823 19.320 -3.462 1.00 1.00 N ATOM 509 CE2 TRP A 988 60.827 18.554 -2.888 1.00 1.00 C ATOM 510 CE3 TRP A 988 60.754 16.483 -1.638 1.00 1.00 C ATOM 511 CZ2 TRP A 988 59.439 18.673 -2.803 1.00 1.00 C ATOM 512 CZ3 TRP A 988 59.359 16.600 -1.550 1.00 1.00 C ATOM 513 CH2 TRP A 988 58.703 17.694 -2.132 1.00 1.00 C ATOM 0 H TRP A 988 65.994 15.723 -0.981 1.00 1.00 H new ATOM 0 HA TRP A 988 65.737 17.840 -2.859 1.00 1.00 H new ATOM 0 HB2 TRP A 988 64.221 15.947 -2.917 1.00 1.00 H new ATOM 0 HB3 TRP A 988 63.771 16.164 -1.238 1.00 1.00 H new ATOM 0 HD1 TRP A 988 64.009 19.171 -3.625 1.00 1.00 H new ATOM 0 HE1 TRP A 988 61.657 20.191 -3.966 1.00 1.00 H new ATOM 0 HE3 TRP A 988 61.250 15.637 -1.186 1.00 1.00 H new ATOM 0 HZ2 TRP A 988 58.937 19.517 -3.253 1.00 1.00 H new ATOM 0 HZ3 TRP A 988 58.788 15.844 -1.032 1.00 1.00 H new ATOM 0 HH2 TRP A 988 57.629 17.780 -2.061 1.00 1.00 H new ATOM 524 N LYS A 989 64.845 18.522 0.258 1.00 1.00 N ATOM 525 CA LYS A 989 64.497 19.625 1.158 1.00 1.00 C ATOM 526 C LYS A 989 65.586 20.701 1.259 1.00 1.00 C ATOM 527 O LYS A 989 65.286 21.882 1.437 1.00 1.00 O ATOM 528 CB LYS A 989 64.213 19.063 2.551 1.00 1.00 C ATOM 529 CG LYS A 989 63.704 20.181 3.469 1.00 1.00 C ATOM 530 CD LYS A 989 63.357 19.598 4.842 1.00 1.00 C ATOM 531 CE LYS A 989 62.833 20.707 5.756 1.00 1.00 C ATOM 532 NZ LYS A 989 62.487 20.131 7.088 1.00 1.00 N ATOM 0 H LYS A 989 64.930 17.613 0.714 1.00 1.00 H new ATOM 0 HA LYS A 989 63.616 20.110 0.738 1.00 1.00 H new ATOM 0 HB2 LYS A 989 63.472 18.266 2.487 1.00 1.00 H new ATOM 0 HB3 LYS A 989 65.119 18.623 2.967 1.00 1.00 H new ATOM 0 HG2 LYS A 989 64.464 20.955 3.573 1.00 1.00 H new ATOM 0 HG3 LYS A 989 62.825 20.654 3.031 1.00 1.00 H new ATOM 0 HD2 LYS A 989 62.606 18.816 4.736 1.00 1.00 H new ATOM 0 HD3 LYS A 989 64.239 19.135 5.285 1.00 1.00 H new ATOM 0 HE2 LYS A 989 63.587 21.486 5.869 1.00 1.00 H new ATOM 0 HE3 LYS A 989 61.955 21.175 5.311 1.00 1.00 H new ATOM 0 HZ1 LYS A 989 62.131 20.884 7.710 1.00 1.00 H new ATOM 0 HZ2 LYS A 989 61.754 19.403 6.971 1.00 1.00 H new ATOM 0 HZ3 LYS A 989 63.335 19.704 7.512 1.00 1.00 H new ATOM 546 N VAL A 990 66.842 20.291 1.175 1.00 1.00 N ATOM 547 CA VAL A 990 67.921 21.270 1.297 1.00 1.00 C ATOM 548 C VAL A 990 68.145 21.937 -0.043 1.00 1.00 C ATOM 549 O VAL A 990 69.012 22.795 -0.200 1.00 1.00 O ATOM 550 CB VAL A 990 69.216 20.626 1.818 1.00 1.00 C ATOM 551 CG1 VAL A 990 68.978 20.073 3.225 1.00 1.00 C ATOM 552 CG2 VAL A 990 69.645 19.484 0.906 1.00 1.00 C ATOM 0 H VAL A 990 67.137 19.326 1.029 1.00 1.00 H new ATOM 0 HA VAL A 990 67.628 22.023 2.029 1.00 1.00 H new ATOM 0 HB VAL A 990 70.000 21.383 1.838 1.00 1.00 H new ATOM 0 HG11 VAL A 990 69.895 19.616 3.596 1.00 1.00 H new ATOM 0 HG12 VAL A 990 68.682 20.885 3.890 1.00 1.00 H new ATOM 0 HG13 VAL A 990 68.187 19.324 3.193 1.00 1.00 H new ATOM 0 HG21 VAL A 990 70.563 19.038 1.288 1.00 1.00 H new ATOM 0 HG22 VAL A 990 68.860 18.728 0.876 1.00 1.00 H new ATOM 0 HG23 VAL A 990 69.819 19.867 -0.100 1.00 1.00 H new ATOM 562 N GLY A 991 67.310 21.547 -0.991 1.00 1.00 N ATOM 563 CA GLY A 991 67.343 22.098 -2.324 1.00 1.00 C ATOM 564 C GLY A 991 68.507 21.549 -3.119 1.00 1.00 C ATOM 565 O GLY A 991 68.820 22.078 -4.188 1.00 1.00 O ATOM 0 H GLY A 991 66.591 20.837 -0.852 1.00 1.00 H new ATOM 0 HA2 GLY A 991 66.409 21.869 -2.837 1.00 1.00 H new ATOM 0 HA3 GLY A 991 67.418 23.184 -2.269 1.00 1.00 H new ATOM 569 N PHE A 992 69.177 20.518 -2.620 1.00 1.00 N ATOM 570 CA PHE A 992 70.317 19.974 -3.332 1.00 1.00 C ATOM 571 C PHE A 992 69.865 19.668 -4.760 1.00 1.00 C ATOM 572 O PHE A 992 70.530 20.017 -5.734 1.00 1.00 O ATOM 573 CB PHE A 992 70.779 18.681 -2.638 1.00 1.00 C ATOM 574 CG PHE A 992 72.262 18.409 -2.844 1.00 1.00 C ATOM 575 CD1 PHE A 992 72.952 18.860 -3.981 1.00 1.00 C ATOM 576 CD2 PHE A 992 72.951 17.685 -1.860 1.00 1.00 C ATOM 577 CE1 PHE A 992 74.317 18.586 -4.127 1.00 1.00 C ATOM 578 CE2 PHE A 992 74.313 17.413 -2.009 1.00 1.00 C ATOM 579 CZ PHE A 992 74.997 17.863 -3.142 1.00 1.00 C ATOM 0 H PHE A 992 68.953 20.051 -1.741 1.00 1.00 H new ATOM 0 HA PHE A 992 71.147 20.681 -3.341 1.00 1.00 H new ATOM 0 HB2 PHE A 992 70.570 18.751 -1.570 1.00 1.00 H new ATOM 0 HB3 PHE A 992 70.202 17.840 -3.022 1.00 1.00 H new ATOM 0 HD1 PHE A 992 72.429 19.419 -4.743 1.00 1.00 H new ATOM 0 HD2 PHE A 992 72.426 17.336 -0.983 1.00 1.00 H new ATOM 0 HE1 PHE A 992 74.846 18.934 -5.002 1.00 1.00 H new ATOM 0 HE2 PHE A 992 74.838 16.855 -1.248 1.00 1.00 H new ATOM 0 HZ PHE A 992 76.050 17.652 -3.257 1.00 1.00 H new ATOM 589 N PHE A 993 68.689 19.064 -4.884 1.00 1.00 N ATOM 590 CA PHE A 993 68.156 18.779 -6.213 1.00 1.00 C ATOM 591 C PHE A 993 67.439 20.004 -6.787 1.00 1.00 C ATOM 592 O PHE A 993 67.051 20.013 -7.953 1.00 1.00 O ATOM 593 CB PHE A 993 67.180 17.604 -6.185 1.00 1.00 C ATOM 594 CG PHE A 993 67.938 16.306 -6.034 1.00 1.00 C ATOM 595 CD1 PHE A 993 68.769 15.859 -7.070 1.00 1.00 C ATOM 596 CD2 PHE A 993 67.805 15.543 -4.867 1.00 1.00 C ATOM 597 CE1 PHE A 993 69.465 14.652 -6.940 1.00 1.00 C ATOM 598 CE2 PHE A 993 68.500 14.334 -4.739 1.00 1.00 C ATOM 599 CZ PHE A 993 69.330 13.887 -5.775 1.00 1.00 C ATOM 0 H PHE A 993 68.100 18.769 -4.106 1.00 1.00 H new ATOM 0 HA PHE A 993 69.005 18.520 -6.846 1.00 1.00 H new ATOM 0 HB2 PHE A 993 66.478 17.723 -5.359 1.00 1.00 H new ATOM 0 HB3 PHE A 993 66.592 17.587 -7.103 1.00 1.00 H new ATOM 0 HD1 PHE A 993 68.872 16.447 -7.970 1.00 1.00 H new ATOM 0 HD2 PHE A 993 67.167 15.887 -4.066 1.00 1.00 H new ATOM 0 HE1 PHE A 993 70.107 14.310 -7.739 1.00 1.00 H new ATOM 0 HE2 PHE A 993 68.396 13.745 -3.840 1.00 1.00 H new ATOM 0 HZ PHE A 993 69.865 12.954 -5.675 1.00 1.00 H new ATOM 804 N ASP B 692 76.037 -15.767 7.288 1.00 1.00 N ATOM 805 CA ASP B 692 75.591 -15.236 8.572 1.00 1.00 C ATOM 806 C ASP B 692 74.458 -14.242 8.359 1.00 1.00 C ATOM 807 O ASP B 692 74.428 -13.535 7.352 1.00 1.00 O ATOM 808 CB ASP B 692 76.753 -14.543 9.285 1.00 1.00 C ATOM 809 CG ASP B 692 77.753 -15.580 9.781 1.00 1.00 C ATOM 810 OD1 ASP B 692 77.395 -16.745 9.819 1.00 1.00 O ATOM 811 OD2 ASP B 692 78.861 -15.195 10.117 1.00 1.00 O ATOM 0 HA ASP B 692 75.234 -16.062 9.188 1.00 1.00 H new ATOM 0 HB2 ASP B 692 77.245 -13.848 8.605 1.00 1.00 H new ATOM 0 HB3 ASP B 692 76.378 -13.957 10.124 1.00 1.00 H new ATOM 816 N ILE B 693 73.498 -14.234 9.278 1.00 1.00 N ATOM 817 CA ILE B 693 72.330 -13.366 9.143 1.00 1.00 C ATOM 818 C ILE B 693 72.693 -11.884 9.134 1.00 1.00 C ATOM 819 O ILE B 693 72.172 -11.126 8.317 1.00 1.00 O ATOM 820 CB ILE B 693 71.365 -13.601 10.309 1.00 1.00 C ATOM 821 CG1 ILE B 693 70.736 -14.990 10.196 1.00 1.00 C ATOM 822 CG2 ILE B 693 70.265 -12.535 10.273 1.00 1.00 C ATOM 823 CD1 ILE B 693 69.993 -15.330 11.489 1.00 1.00 C ATOM 0 H ILE B 693 73.503 -14.813 10.118 1.00 1.00 H new ATOM 0 HA ILE B 693 71.871 -13.618 8.187 1.00 1.00 H new ATOM 0 HB ILE B 693 71.912 -13.536 11.250 1.00 1.00 H new ATOM 0 HG12 ILE B 693 70.047 -15.020 9.352 1.00 1.00 H new ATOM 0 HG13 ILE B 693 71.509 -15.734 10.003 1.00 1.00 H new ATOM 0 HG21 ILE B 693 69.574 -12.697 11.101 1.00 1.00 H new ATOM 0 HG22 ILE B 693 70.714 -11.546 10.363 1.00 1.00 H new ATOM 0 HG23 ILE B 693 69.723 -12.603 9.330 1.00 1.00 H new ATOM 0 HD11 ILE B 693 69.547 -16.321 11.403 1.00 1.00 H new ATOM 0 HD12 ILE B 693 70.693 -15.319 12.325 1.00 1.00 H new ATOM 0 HD13 ILE B 693 69.209 -14.593 11.663 1.00 1.00 H new ATOM 835 N LEU B 694 73.573 -11.464 10.032 1.00 1.00 N ATOM 836 CA LEU B 694 73.972 -10.066 10.088 1.00 1.00 C ATOM 837 C LEU B 694 74.695 -9.635 8.810 1.00 1.00 C ATOM 838 O LEU B 694 74.457 -8.545 8.295 1.00 1.00 O ATOM 839 CB LEU B 694 74.898 -9.845 11.286 1.00 1.00 C ATOM 840 CG LEU B 694 74.105 -9.994 12.591 1.00 1.00 C ATOM 841 CD1 LEU B 694 75.072 -9.998 13.777 1.00 1.00 C ATOM 842 CD2 LEU B 694 73.108 -8.838 12.747 1.00 1.00 C ATOM 0 H LEU B 694 74.020 -12.065 10.725 1.00 1.00 H new ATOM 0 HA LEU B 694 73.069 -9.465 10.190 1.00 1.00 H new ATOM 0 HB2 LEU B 694 75.716 -10.565 11.263 1.00 1.00 H new ATOM 0 HB3 LEU B 694 75.346 -8.853 11.233 1.00 1.00 H new ATOM 0 HG LEU B 694 73.552 -10.933 12.562 1.00 1.00 H new ATOM 0 HD11 LEU B 694 74.510 -10.104 14.705 1.00 1.00 H new ATOM 0 HD12 LEU B 694 75.767 -10.832 13.677 1.00 1.00 H new ATOM 0 HD13 LEU B 694 75.629 -9.061 13.795 1.00 1.00 H new ATOM 0 HD21 LEU B 694 72.554 -8.959 13.678 1.00 1.00 H new ATOM 0 HD22 LEU B 694 73.648 -7.892 12.767 1.00 1.00 H new ATOM 0 HD23 LEU B 694 72.413 -8.841 11.908 1.00 1.00 H new ATOM 854 N VAL B 695 75.599 -10.479 8.318 1.00 1.00 N ATOM 855 CA VAL B 695 76.369 -10.150 7.122 1.00 1.00 C ATOM 856 C VAL B 695 75.499 -10.017 5.872 1.00 1.00 C ATOM 857 O VAL B 695 75.637 -9.055 5.117 1.00 1.00 O ATOM 858 CB VAL B 695 77.426 -11.225 6.883 1.00 1.00 C ATOM 859 CG1 VAL B 695 78.079 -11.006 5.518 1.00 1.00 C ATOM 860 CG2 VAL B 695 78.495 -11.144 7.978 1.00 1.00 C ATOM 0 H VAL B 695 75.815 -11.389 8.725 1.00 1.00 H new ATOM 0 HA VAL B 695 76.834 -9.180 7.300 1.00 1.00 H new ATOM 0 HB VAL B 695 76.954 -12.207 6.907 1.00 1.00 H new ATOM 0 HG11 VAL B 695 78.834 -11.774 5.348 1.00 1.00 H new ATOM 0 HG12 VAL B 695 77.320 -11.064 4.738 1.00 1.00 H new ATOM 0 HG13 VAL B 695 78.550 -10.023 5.493 1.00 1.00 H new ATOM 0 HG21 VAL B 695 79.250 -11.912 7.807 1.00 1.00 H new ATOM 0 HG22 VAL B 695 78.966 -10.161 7.955 1.00 1.00 H new ATOM 0 HG23 VAL B 695 78.031 -11.302 8.952 1.00 1.00 H new ATOM 870 N VAL B 696 74.607 -10.976 5.647 1.00 1.00 N ATOM 871 CA VAL B 696 73.748 -10.916 4.471 1.00 1.00 C ATOM 872 C VAL B 696 72.813 -9.721 4.559 1.00 1.00 C ATOM 873 O VAL B 696 72.563 -9.038 3.566 1.00 1.00 O ATOM 874 CB VAL B 696 72.947 -12.215 4.314 1.00 1.00 C ATOM 875 CG1 VAL B 696 72.046 -12.424 5.525 1.00 1.00 C ATOM 876 CG2 VAL B 696 72.083 -12.132 3.053 1.00 1.00 C ATOM 0 H VAL B 696 74.462 -11.787 6.249 1.00 1.00 H new ATOM 0 HA VAL B 696 74.380 -10.799 3.591 1.00 1.00 H new ATOM 0 HB VAL B 696 73.641 -13.052 4.234 1.00 1.00 H new ATOM 0 HG11 VAL B 696 71.482 -13.349 5.404 1.00 1.00 H new ATOM 0 HG12 VAL B 696 72.656 -12.487 6.426 1.00 1.00 H new ATOM 0 HG13 VAL B 696 71.354 -11.586 5.613 1.00 1.00 H new ATOM 0 HG21 VAL B 696 71.514 -13.055 2.941 1.00 1.00 H new ATOM 0 HG22 VAL B 696 71.396 -11.290 3.137 1.00 1.00 H new ATOM 0 HG23 VAL B 696 72.723 -11.992 2.182 1.00 1.00 H new ATOM 886 N LEU B 697 72.272 -9.489 5.749 1.00 1.00 N ATOM 887 CA LEU B 697 71.340 -8.391 5.953 1.00 1.00 C ATOM 888 C LEU B 697 71.986 -7.039 5.673 1.00 1.00 C ATOM 889 O LEU B 697 71.387 -6.181 5.023 1.00 1.00 O ATOM 890 CB LEU B 697 70.833 -8.435 7.402 1.00 1.00 C ATOM 891 CG LEU B 697 69.920 -7.240 7.694 1.00 1.00 C ATOM 892 CD1 LEU B 697 68.779 -7.206 6.685 1.00 1.00 C ATOM 893 CD2 LEU B 697 69.342 -7.384 9.103 1.00 1.00 C ATOM 0 H LEU B 697 72.463 -10.045 6.583 1.00 1.00 H new ATOM 0 HA LEU B 697 70.512 -8.508 5.254 1.00 1.00 H new ATOM 0 HB2 LEU B 697 70.290 -9.364 7.574 1.00 1.00 H new ATOM 0 HB3 LEU B 697 71.679 -8.428 8.089 1.00 1.00 H new ATOM 0 HG LEU B 697 70.495 -6.317 7.620 1.00 1.00 H new ATOM 0 HD11 LEU B 697 68.132 -6.355 6.896 1.00 1.00 H new ATOM 0 HD12 LEU B 697 69.186 -7.111 5.678 1.00 1.00 H new ATOM 0 HD13 LEU B 697 68.201 -8.128 6.758 1.00 1.00 H new ATOM 0 HD21 LEU B 697 68.691 -6.537 9.318 1.00 1.00 H new ATOM 0 HD22 LEU B 697 68.768 -8.308 9.168 1.00 1.00 H new ATOM 0 HD23 LEU B 697 70.155 -7.410 9.829 1.00 1.00 H new ATOM 905 N LEU B 698 73.209 -6.858 6.152 1.00 1.00 N ATOM 906 CA LEU B 698 73.925 -5.608 5.928 1.00 1.00 C ATOM 907 C LEU B 698 74.214 -5.412 4.444 1.00 1.00 C ATOM 908 O LEU B 698 74.100 -4.305 3.914 1.00 1.00 O ATOM 909 CB LEU B 698 75.239 -5.597 6.715 1.00 1.00 C ATOM 910 CG LEU B 698 74.943 -5.479 8.218 1.00 1.00 C ATOM 911 CD1 LEU B 698 76.231 -5.717 9.015 1.00 1.00 C ATOM 912 CD2 LEU B 698 74.396 -4.081 8.543 1.00 1.00 C ATOM 0 H LEU B 698 73.723 -7.553 6.693 1.00 1.00 H new ATOM 0 HA LEU B 698 73.294 -4.790 6.275 1.00 1.00 H new ATOM 0 HB2 LEU B 698 75.801 -6.510 6.516 1.00 1.00 H new ATOM 0 HB3 LEU B 698 75.861 -4.763 6.391 1.00 1.00 H new ATOM 0 HG LEU B 698 74.197 -6.226 8.490 1.00 1.00 H new ATOM 0 HD11 LEU B 698 76.020 -5.633 10.081 1.00 1.00 H new ATOM 0 HD12 LEU B 698 76.614 -6.714 8.798 1.00 1.00 H new ATOM 0 HD13 LEU B 698 76.976 -4.973 8.733 1.00 1.00 H new ATOM 0 HD21 LEU B 698 74.190 -4.010 9.611 1.00 1.00 H new ATOM 0 HD22 LEU B 698 75.133 -3.328 8.265 1.00 1.00 H new ATOM 0 HD23 LEU B 698 73.476 -3.911 7.984 1.00 1.00 H new ATOM 924 N SER B 699 74.614 -6.495 3.788 1.00 1.00 N ATOM 925 CA SER B 699 74.949 -6.453 2.372 1.00 1.00 C ATOM 926 C SER B 699 73.758 -6.065 1.499 1.00 1.00 C ATOM 927 O SER B 699 73.910 -5.301 0.547 1.00 1.00 O ATOM 928 CB SER B 699 75.483 -7.817 1.950 1.00 1.00 C ATOM 929 OG SER B 699 74.547 -8.819 2.323 1.00 1.00 O ATOM 0 H SER B 699 74.714 -7.415 4.217 1.00 1.00 H new ATOM 0 HA SER B 699 75.708 -5.683 2.229 1.00 1.00 H new ATOM 0 HB2 SER B 699 75.648 -7.839 0.873 1.00 1.00 H new ATOM 0 HB3 SER B 699 76.446 -8.007 2.424 1.00 1.00 H new ATOM 0 HG SER B 699 73.827 -8.414 2.851 1.00 1.00 H new ATOM 935 N VAL B 700 72.578 -6.593 1.813 1.00 1.00 N ATOM 936 CA VAL B 700 71.382 -6.278 1.029 1.00 1.00 C ATOM 937 C VAL B 700 71.041 -4.799 1.154 1.00 1.00 C ATOM 938 O VAL B 700 70.740 -4.129 0.170 1.00 1.00 O ATOM 939 CB VAL B 700 70.199 -7.123 1.516 1.00 1.00 C ATOM 940 CG1 VAL B 700 68.911 -6.643 0.845 1.00 1.00 C ATOM 941 CG2 VAL B 700 70.448 -8.592 1.157 1.00 1.00 C ATOM 0 H VAL B 700 72.422 -7.232 2.593 1.00 1.00 H new ATOM 0 HA VAL B 700 71.582 -6.507 -0.018 1.00 1.00 H new ATOM 0 HB VAL B 700 70.099 -7.021 2.597 1.00 1.00 H new ATOM 0 HG11 VAL B 700 68.073 -7.246 1.194 1.00 1.00 H new ATOM 0 HG12 VAL B 700 68.736 -5.597 1.099 1.00 1.00 H new ATOM 0 HG13 VAL B 700 69.005 -6.743 -0.236 1.00 1.00 H new ATOM 0 HG21 VAL B 700 69.610 -9.198 1.501 1.00 1.00 H new ATOM 0 HG22 VAL B 700 70.547 -8.691 0.076 1.00 1.00 H new ATOM 0 HG23 VAL B 700 71.364 -8.934 1.638 1.00 1.00 H new ATOM 951 N MET B 701 71.090 -4.309 2.377 1.00 1.00 N ATOM 952 CA MET B 701 70.779 -2.911 2.631 1.00 1.00 C ATOM 953 C MET B 701 71.781 -1.991 1.935 1.00 1.00 C ATOM 954 O MET B 701 71.397 -0.967 1.373 1.00 1.00 O ATOM 955 CB MET B 701 70.734 -2.626 4.130 1.00 1.00 C ATOM 956 CG MET B 701 69.424 -3.165 4.708 1.00 1.00 C ATOM 957 SD MET B 701 69.417 -2.943 6.507 1.00 1.00 S ATOM 958 CE MET B 701 69.295 -1.133 6.536 1.00 1.00 C ATOM 0 H MET B 701 71.339 -4.850 3.205 1.00 1.00 H new ATOM 0 HA MET B 701 69.791 -2.708 2.217 1.00 1.00 H new ATOM 0 HB2 MET B 701 71.584 -3.094 4.627 1.00 1.00 H new ATOM 0 HB3 MET B 701 70.811 -1.554 4.310 1.00 1.00 H new ATOM 0 HG2 MET B 701 68.577 -2.643 4.264 1.00 1.00 H new ATOM 0 HG3 MET B 701 69.313 -4.221 4.461 1.00 1.00 H new ATOM 0 HE1 MET B 701 68.525 -0.832 7.246 1.00 1.00 H new ATOM 0 HE2 MET B 701 70.253 -0.709 6.838 1.00 1.00 H new ATOM 0 HE3 MET B 701 69.034 -0.770 5.542 1.00 1.00 H new ATOM 968 N GLY B 702 73.062 -2.366 1.944 1.00 1.00 N ATOM 969 CA GLY B 702 74.093 -1.567 1.285 1.00 1.00 C ATOM 970 C GLY B 702 73.852 -1.499 -0.227 1.00 1.00 C ATOM 971 O GLY B 702 74.027 -0.449 -0.843 1.00 1.00 O ATOM 0 H GLY B 702 73.407 -3.212 2.397 1.00 1.00 H new ATOM 0 HA2 GLY B 702 74.099 -0.560 1.702 1.00 1.00 H new ATOM 0 HA3 GLY B 702 75.074 -1.999 1.481 1.00 1.00 H new ATOM 975 N ALA B 703 73.462 -2.626 -0.820 1.00 1.00 N ATOM 976 CA ALA B 703 73.224 -2.672 -2.262 1.00 1.00 C ATOM 977 C ALA B 703 72.119 -1.683 -2.638 1.00 1.00 C ATOM 978 O ALA B 703 72.169 -1.041 -3.702 1.00 1.00 O ATOM 979 CB ALA B 703 72.820 -4.093 -2.673 1.00 1.00 C ATOM 0 H ALA B 703 73.306 -3.508 -0.333 1.00 1.00 H new ATOM 0 HA ALA B 703 74.138 -2.396 -2.787 1.00 1.00 H new ATOM 0 HB1 ALA B 703 72.643 -4.124 -3.748 1.00 1.00 H new ATOM 0 HB2 ALA B 703 73.620 -4.787 -2.416 1.00 1.00 H new ATOM 0 HB3 ALA B 703 71.909 -4.379 -2.147 1.00 1.00 H new ATOM 985 N ILE B 704 71.118 -1.576 -1.774 1.00 1.00 N ATOM 986 CA ILE B 704 70.006 -0.671 -2.054 1.00 1.00 C ATOM 987 C ILE B 704 70.555 0.748 -2.131 1.00 1.00 C ATOM 988 O ILE B 704 70.153 1.515 -2.997 1.00 1.00 O ATOM 989 CB ILE B 704 68.902 -0.742 -0.985 1.00 1.00 C ATOM 990 CG1 ILE B 704 68.260 -2.150 -0.982 1.00 1.00 C ATOM 991 CG2 ILE B 704 67.814 0.304 -1.296 1.00 1.00 C ATOM 992 CD1 ILE B 704 67.704 -2.532 -2.367 1.00 1.00 C ATOM 0 H ILE B 704 71.050 -2.089 -0.895 1.00 1.00 H new ATOM 0 HA ILE B 704 69.550 -0.971 -2.998 1.00 1.00 H new ATOM 0 HB ILE B 704 69.342 -0.540 -0.008 1.00 1.00 H new ATOM 0 HG12 ILE B 704 69.002 -2.886 -0.673 1.00 1.00 H new ATOM 0 HG13 ILE B 704 67.456 -2.180 -0.247 1.00 1.00 H new ATOM 0 HG21 ILE B 704 67.033 0.253 -0.538 1.00 1.00 H new ATOM 0 HG22 ILE B 704 68.256 1.300 -1.294 1.00 1.00 H new ATOM 0 HG23 ILE B 704 67.383 0.100 -2.276 1.00 1.00 H new ATOM 0 HD11 ILE B 704 67.263 -3.527 -2.320 1.00 1.00 H new ATOM 0 HD12 ILE B 704 66.943 -1.811 -2.665 1.00 1.00 H new ATOM 0 HD13 ILE B 704 68.513 -2.528 -3.098 1.00 1.00 H new ATOM 1004 N LEU B 705 71.472 1.093 -1.229 1.00 1.00 N ATOM 1005 CA LEU B 705 72.053 2.442 -1.223 1.00 1.00 C ATOM 1006 C LEU B 705 72.777 2.739 -2.542 1.00 1.00 C ATOM 1007 O LEU B 705 72.600 3.811 -3.120 1.00 1.00 O ATOM 1008 CB LEU B 705 73.052 2.546 -0.055 1.00 1.00 C ATOM 1009 CG LEU B 705 73.718 3.927 0.005 1.00 1.00 C ATOM 1010 CD1 LEU B 705 72.694 4.990 0.407 1.00 1.00 C ATOM 1011 CD2 LEU B 705 74.830 3.869 1.051 1.00 1.00 C ATOM 0 H LEU B 705 71.827 0.471 -0.502 1.00 1.00 H new ATOM 0 HA LEU B 705 71.250 3.170 -1.106 1.00 1.00 H new ATOM 0 HB2 LEU B 705 72.534 2.351 0.884 1.00 1.00 H new ATOM 0 HB3 LEU B 705 73.818 1.778 -0.162 1.00 1.00 H new ATOM 0 HG LEU B 705 74.122 4.189 -0.973 1.00 1.00 H new ATOM 0 HD11 LEU B 705 73.179 5.966 0.446 1.00 1.00 H new ATOM 0 HD12 LEU B 705 71.888 5.014 -0.326 1.00 1.00 H new ATOM 0 HD13 LEU B 705 72.285 4.748 1.388 1.00 1.00 H new ATOM 0 HD21 LEU B 705 75.321 4.840 1.114 1.00 1.00 H new ATOM 0 HD22 LEU B 705 74.404 3.614 2.021 1.00 1.00 H new ATOM 0 HD23 LEU B 705 75.560 3.111 0.765 1.00 1.00 H new ATOM 1023 N LEU B 706 73.589 1.805 -3.015 1.00 1.00 N ATOM 1024 CA LEU B 706 74.316 2.016 -4.268 1.00 1.00 C ATOM 1025 C LEU B 706 73.354 2.161 -5.438 1.00 1.00 C ATOM 1026 O LEU B 706 73.551 3.013 -6.305 1.00 1.00 O ATOM 1027 CB LEU B 706 75.289 0.861 -4.544 1.00 1.00 C ATOM 1028 CG LEU B 706 76.614 1.078 -3.791 1.00 1.00 C ATOM 1029 CD1 LEU B 706 77.444 2.173 -4.486 1.00 1.00 C ATOM 1030 CD2 LEU B 706 76.343 1.475 -2.336 1.00 1.00 C ATOM 0 H LEU B 706 73.763 0.907 -2.563 1.00 1.00 H new ATOM 0 HA LEU B 706 74.886 2.939 -4.161 1.00 1.00 H new ATOM 0 HB2 LEU B 706 74.839 -0.083 -4.235 1.00 1.00 H new ATOM 0 HB3 LEU B 706 75.481 0.787 -5.615 1.00 1.00 H new ATOM 0 HG LEU B 706 77.176 0.144 -3.801 1.00 1.00 H new ATOM 0 HD11 LEU B 706 78.379 2.319 -3.945 1.00 1.00 H new ATOM 0 HD12 LEU B 706 77.660 1.870 -5.511 1.00 1.00 H new ATOM 0 HD13 LEU B 706 76.881 3.106 -4.495 1.00 1.00 H new ATOM 0 HD21 LEU B 706 77.290 1.625 -1.817 1.00 1.00 H new ATOM 0 HD22 LEU B 706 75.766 2.400 -2.313 1.00 1.00 H new ATOM 0 HD23 LEU B 706 75.780 0.683 -1.842 1.00 1.00 H new ATOM 1042 N ILE B 707 72.323 1.320 -5.467 1.00 1.00 N ATOM 1043 CA ILE B 707 71.349 1.355 -6.551 1.00 1.00 C ATOM 1044 C ILE B 707 70.592 2.679 -6.582 1.00 1.00 C ATOM 1045 O ILE B 707 70.389 3.255 -7.651 1.00 1.00 O ATOM 1046 CB ILE B 707 70.354 0.206 -6.392 1.00 1.00 C ATOM 1047 CG1 ILE B 707 71.075 -1.121 -6.638 1.00 1.00 C ATOM 1048 CG2 ILE B 707 69.215 0.369 -7.403 1.00 1.00 C ATOM 1049 CD1 ILE B 707 70.184 -2.284 -6.201 1.00 1.00 C ATOM 0 H ILE B 707 72.142 0.611 -4.757 1.00 1.00 H new ATOM 0 HA ILE B 707 71.893 1.250 -7.490 1.00 1.00 H new ATOM 0 HB ILE B 707 69.941 0.216 -5.383 1.00 1.00 H new ATOM 0 HG12 ILE B 707 71.325 -1.219 -7.694 1.00 1.00 H new ATOM 0 HG13 ILE B 707 72.014 -1.143 -6.085 1.00 1.00 H new ATOM 0 HG21 ILE B 707 68.506 -0.451 -7.288 1.00 1.00 H new ATOM 0 HG22 ILE B 707 68.705 1.316 -7.227 1.00 1.00 H new ATOM 0 HG23 ILE B 707 69.622 0.358 -8.414 1.00 1.00 H new ATOM 0 HD11 ILE B 707 70.702 -3.226 -6.379 1.00 1.00 H new ATOM 0 HD12 ILE B 707 69.957 -2.189 -5.139 1.00 1.00 H new ATOM 0 HD13 ILE B 707 69.257 -2.267 -6.773 1.00 1.00 H new ATOM 1061 N GLY B 708 70.166 3.151 -5.415 1.00 1.00 N ATOM 1062 CA GLY B 708 69.425 4.408 -5.339 1.00 1.00 C ATOM 1063 C GLY B 708 70.302 5.597 -5.725 1.00 1.00 C ATOM 1064 O GLY B 708 69.850 6.517 -6.409 1.00 1.00 O ATOM 0 H GLY B 708 70.318 2.690 -4.518 1.00 1.00 H new ATOM 0 HA2 GLY B 708 68.560 4.362 -6.000 1.00 1.00 H new ATOM 0 HA3 GLY B 708 69.045 4.548 -4.327 1.00 1.00 H new ATOM 1068 N LEU B 709 71.547 5.578 -5.269 1.00 1.00 N ATOM 1069 CA LEU B 709 72.504 6.645 -5.551 1.00 1.00 C ATOM 1070 C LEU B 709 72.903 6.746 -7.027 1.00 1.00 C ATOM 1071 O LEU B 709 73.126 7.846 -7.526 1.00 1.00 O ATOM 1072 CB LEU B 709 73.768 6.488 -4.687 1.00 1.00 C ATOM 1073 CG LEU B 709 73.623 7.216 -3.336 1.00 1.00 C ATOM 1074 CD1 LEU B 709 73.867 8.713 -3.531 1.00 1.00 C ATOM 1075 CD2 LEU B 709 72.227 7.015 -2.729 1.00 1.00 C ATOM 0 H LEU B 709 71.924 4.825 -4.694 1.00 1.00 H new ATOM 0 HA LEU B 709 71.988 7.572 -5.299 1.00 1.00 H new ATOM 0 HB2 LEU B 709 73.961 5.430 -4.512 1.00 1.00 H new ATOM 0 HB3 LEU B 709 74.629 6.885 -5.225 1.00 1.00 H new ATOM 0 HG LEU B 709 74.359 6.794 -2.652 1.00 1.00 H new ATOM 0 HD11 LEU B 709 73.764 9.226 -2.575 1.00 1.00 H new ATOM 0 HD12 LEU B 709 74.873 8.870 -3.921 1.00 1.00 H new ATOM 0 HD13 LEU B 709 73.138 9.112 -4.237 1.00 1.00 H new ATOM 0 HD21 LEU B 709 72.164 7.543 -1.778 1.00 1.00 H new ATOM 0 HD22 LEU B 709 71.473 7.407 -3.412 1.00 1.00 H new ATOM 0 HD23 LEU B 709 72.051 5.952 -2.566 1.00 1.00 H new ATOM 1087 N ALA B 710 73.048 5.615 -7.718 1.00 1.00 N ATOM 1088 CA ALA B 710 73.491 5.661 -9.113 1.00 1.00 C ATOM 1089 C ALA B 710 72.631 6.603 -9.967 1.00 1.00 C ATOM 1090 O ALA B 710 73.170 7.537 -10.561 1.00 1.00 O ATOM 1091 CB ALA B 710 73.526 4.253 -9.718 1.00 1.00 C ATOM 0 H ALA B 710 72.871 4.681 -7.349 1.00 1.00 H new ATOM 0 HA ALA B 710 74.503 6.066 -9.115 1.00 1.00 H new ATOM 0 HB1 ALA B 710 73.858 4.311 -10.755 1.00 1.00 H new ATOM 0 HB2 ALA B 710 74.217 3.630 -9.150 1.00 1.00 H new ATOM 0 HB3 ALA B 710 72.528 3.816 -9.680 1.00 1.00 H new ATOM 1097 N PRO B 711 71.331 6.414 -10.048 1.00 1.00 N ATOM 1098 CA PRO B 711 70.467 7.325 -10.855 1.00 1.00 C ATOM 1099 C PRO B 711 70.644 8.788 -10.449 1.00 1.00 C ATOM 1100 O PRO B 711 70.792 9.667 -11.298 1.00 1.00 O ATOM 1101 CB PRO B 711 69.041 6.870 -10.534 1.00 1.00 C ATOM 1102 CG PRO B 711 69.165 5.466 -10.048 1.00 1.00 C ATOM 1103 CD PRO B 711 70.549 5.341 -9.411 1.00 1.00 C ATOM 0 HA PRO B 711 70.714 7.273 -11.915 1.00 1.00 H new ATOM 0 HB2 PRO B 711 68.588 7.508 -9.775 1.00 1.00 H new ATOM 0 HB3 PRO B 711 68.405 6.924 -11.417 1.00 1.00 H new ATOM 0 HG2 PRO B 711 68.384 5.237 -9.323 1.00 1.00 H new ATOM 0 HG3 PRO B 711 69.053 4.760 -10.871 1.00 1.00 H new ATOM 0 HD2 PRO B 711 70.504 5.468 -8.329 1.00 1.00 H new ATOM 0 HD3 PRO B 711 70.988 4.361 -9.599 1.00 1.00 H new ATOM 1111 N LEU B 712 70.650 9.024 -9.137 1.00 1.00 N ATOM 1112 CA LEU B 712 70.835 10.367 -8.593 1.00 1.00 C ATOM 1113 C LEU B 712 72.234 10.901 -8.899 1.00 1.00 C ATOM 1114 O LEU B 712 72.401 12.077 -9.224 1.00 1.00 O ATOM 1115 CB LEU B 712 70.604 10.355 -7.082 1.00 1.00 C ATOM 1116 CG LEU B 712 69.104 10.451 -6.791 1.00 1.00 C ATOM 1117 CD1 LEU B 712 68.369 9.286 -7.455 1.00 1.00 C ATOM 1118 CD2 LEU B 712 68.880 10.395 -5.280 1.00 1.00 C ATOM 0 H LEU B 712 70.528 8.299 -8.430 1.00 1.00 H new ATOM 0 HA LEU B 712 70.108 11.026 -9.067 1.00 1.00 H new ATOM 0 HB2 LEU B 712 71.011 9.441 -6.649 1.00 1.00 H new ATOM 0 HB3 LEU B 712 71.129 11.189 -6.617 1.00 1.00 H new ATOM 0 HG LEU B 712 68.719 11.390 -7.188 1.00 1.00 H new ATOM 0 HD11 LEU B 712 67.302 9.361 -7.244 1.00 1.00 H new ATOM 0 HD12 LEU B 712 68.529 9.322 -8.533 1.00 1.00 H new ATOM 0 HD13 LEU B 712 68.751 8.344 -7.063 1.00 1.00 H new ATOM 0 HD21 LEU B 712 67.813 10.463 -5.068 1.00 1.00 H new ATOM 0 HD22 LEU B 712 69.269 9.455 -4.889 1.00 1.00 H new ATOM 0 HD23 LEU B 712 69.398 11.227 -4.804 1.00 1.00 H new ATOM 1130 N LEU B 713 73.234 10.032 -8.786 1.00 1.00 N ATOM 1131 CA LEU B 713 74.615 10.432 -9.045 1.00 1.00 C ATOM 1132 C LEU B 713 74.794 10.878 -10.488 1.00 1.00 C ATOM 1133 O LEU B 713 75.474 11.868 -10.755 1.00 1.00 O ATOM 1134 CB LEU B 713 75.570 9.274 -8.746 1.00 1.00 C ATOM 1135 CG LEU B 713 75.809 9.171 -7.234 1.00 1.00 C ATOM 1136 CD1 LEU B 713 76.543 7.865 -6.928 1.00 1.00 C ATOM 1137 CD2 LEU B 713 76.663 10.350 -6.745 1.00 1.00 C ATOM 0 H LEU B 713 73.117 9.054 -8.519 1.00 1.00 H new ATOM 0 HA LEU B 713 74.847 11.271 -8.389 1.00 1.00 H new ATOM 0 HB2 LEU B 713 75.152 8.340 -9.121 1.00 1.00 H new ATOM 0 HB3 LEU B 713 76.517 9.429 -9.263 1.00 1.00 H new ATOM 0 HG LEU B 713 74.846 9.192 -6.723 1.00 1.00 H new ATOM 0 HD11 LEU B 713 76.715 7.787 -5.854 1.00 1.00 H new ATOM 0 HD12 LEU B 713 75.938 7.021 -7.261 1.00 1.00 H new ATOM 0 HD13 LEU B 713 77.500 7.854 -7.451 1.00 1.00 H new ATOM 0 HD21 LEU B 713 76.823 10.262 -5.670 1.00 1.00 H new ATOM 0 HD22 LEU B 713 77.625 10.340 -7.258 1.00 1.00 H new ATOM 0 HD23 LEU B 713 76.148 11.286 -6.959 1.00 1.00 H new ATOM 1149 N ILE B 714 74.178 10.159 -11.416 1.00 1.00 N ATOM 1150 CA ILE B 714 74.287 10.523 -12.825 1.00 1.00 C ATOM 1151 C ILE B 714 73.657 11.890 -13.053 1.00 1.00 C ATOM 1152 O ILE B 714 74.236 12.742 -13.726 1.00 1.00 O ATOM 1153 CB ILE B 714 73.590 9.477 -13.695 1.00 1.00 C ATOM 1154 CG1 ILE B 714 74.365 8.154 -13.624 1.00 1.00 C ATOM 1155 CG2 ILE B 714 73.553 9.971 -15.141 1.00 1.00 C ATOM 1156 CD1 ILE B 714 73.530 7.040 -14.259 1.00 1.00 C ATOM 0 H ILE B 714 73.607 9.335 -11.226 1.00 1.00 H new ATOM 0 HA ILE B 714 75.341 10.563 -13.100 1.00 1.00 H new ATOM 0 HB ILE B 714 72.573 9.319 -13.336 1.00 1.00 H new ATOM 0 HG12 ILE B 714 75.318 8.250 -14.144 1.00 1.00 H new ATOM 0 HG13 ILE B 714 74.591 7.908 -12.587 1.00 1.00 H new ATOM 0 HG21 ILE B 714 73.057 9.229 -15.766 1.00 1.00 H new ATOM 0 HG22 ILE B 714 73.005 10.912 -15.190 1.00 1.00 H new ATOM 0 HG23 ILE B 714 74.571 10.125 -15.499 1.00 1.00 H new ATOM 0 HD11 ILE B 714 74.079 6.100 -14.209 1.00 1.00 H new ATOM 0 HD12 ILE B 714 72.588 6.939 -13.720 1.00 1.00 H new ATOM 0 HD13 ILE B 714 73.327 7.287 -15.301 1.00 1.00 H new ATOM 1168 N TRP B 715 72.482 12.099 -12.470 1.00 1.00 N ATOM 1169 CA TRP B 715 71.773 13.368 -12.582 1.00 1.00 C ATOM 1170 C TRP B 715 72.601 14.479 -11.939 1.00 1.00 C ATOM 1171 O TRP B 715 72.818 15.536 -12.531 1.00 1.00 O ATOM 1172 CB TRP B 715 70.410 13.166 -11.895 1.00 1.00 C ATOM 1173 CG TRP B 715 69.679 14.444 -11.607 1.00 1.00 C ATOM 1174 CD1 TRP B 715 69.881 15.650 -12.190 1.00 1.00 C ATOM 1175 CD2 TRP B 715 68.580 14.626 -10.667 1.00 1.00 C ATOM 1176 NE1 TRP B 715 68.991 16.562 -11.636 1.00 1.00 N ATOM 1177 CE2 TRP B 715 68.167 15.972 -10.700 1.00 1.00 C ATOM 1178 CE3 TRP B 715 67.918 13.751 -9.789 1.00 1.00 C ATOM 1179 CZ2 TRP B 715 67.129 16.438 -9.892 1.00 1.00 C ATOM 1180 CZ3 TRP B 715 66.869 14.214 -8.976 1.00 1.00 C ATOM 1181 CH2 TRP B 715 66.476 15.555 -9.027 1.00 1.00 C ATOM 0 H TRP B 715 71.997 11.398 -11.910 1.00 1.00 H new ATOM 0 HA TRP B 715 71.616 13.669 -13.618 1.00 1.00 H new ATOM 0 HB2 TRP B 715 69.785 12.536 -12.528 1.00 1.00 H new ATOM 0 HB3 TRP B 715 70.562 12.627 -10.960 1.00 1.00 H new ATOM 0 HD1 TRP B 715 70.611 15.866 -12.956 1.00 1.00 H new ATOM 0 HE1 TRP B 715 68.952 17.549 -11.891 1.00 1.00 H new ATOM 0 HE3 TRP B 715 68.218 12.715 -9.738 1.00 1.00 H new ATOM 0 HZ2 TRP B 715 66.832 17.475 -9.935 1.00 1.00 H new ATOM 0 HZ3 TRP B 715 66.364 13.531 -8.309 1.00 1.00 H new ATOM 0 HH2 TRP B 715 65.670 15.908 -8.400 1.00 1.00 H new ATOM 1192 N LYS B 716 73.065 14.227 -10.721 1.00 1.00 N ATOM 1193 CA LYS B 716 73.863 15.204 -9.995 1.00 1.00 C ATOM 1194 C LYS B 716 75.147 15.537 -10.752 1.00 1.00 C ATOM 1195 O LYS B 716 75.529 16.701 -10.848 1.00 1.00 O ATOM 1196 CB LYS B 716 74.223 14.647 -8.613 1.00 1.00 C ATOM 1197 CG LYS B 716 74.608 15.788 -7.652 1.00 1.00 C ATOM 1198 CD LYS B 716 73.398 16.265 -6.816 1.00 1.00 C ATOM 1199 CE LYS B 716 72.446 17.133 -7.645 1.00 1.00 C ATOM 1200 NZ LYS B 716 71.611 17.957 -6.723 1.00 1.00 N ATOM 0 H LYS B 716 72.902 13.355 -10.217 1.00 1.00 H new ATOM 0 HA LYS B 716 73.274 16.116 -9.891 1.00 1.00 H new ATOM 0 HB2 LYS B 716 73.377 14.092 -8.207 1.00 1.00 H new ATOM 0 HB3 LYS B 716 75.052 13.945 -8.703 1.00 1.00 H new ATOM 0 HG2 LYS B 716 75.401 15.450 -6.985 1.00 1.00 H new ATOM 0 HG3 LYS B 716 75.008 16.625 -8.223 1.00 1.00 H new ATOM 0 HD2 LYS B 716 72.859 15.400 -6.429 1.00 1.00 H new ATOM 0 HD3 LYS B 716 73.751 16.832 -5.955 1.00 1.00 H new ATOM 0 HE2 LYS B 716 73.013 17.778 -8.317 1.00 1.00 H new ATOM 0 HE3 LYS B 716 71.810 16.504 -8.268 1.00 1.00 H new ATOM 0 HZ1 LYS B 716 71.331 18.837 -7.201 1.00 1.00 H new ATOM 0 HZ2 LYS B 716 70.760 17.423 -6.454 1.00 1.00 H new ATOM 0 HZ3 LYS B 716 72.159 18.186 -5.870 1.00 1.00 H new ATOM 1214 N LEU B 717 75.827 14.518 -11.275 1.00 1.00 N ATOM 1215 CA LEU B 717 77.071 14.752 -12.002 1.00 1.00 C ATOM 1216 C LEU B 717 76.816 15.588 -13.256 1.00 1.00 C ATOM 1217 O LEU B 717 77.566 16.518 -13.553 1.00 1.00 O ATOM 1218 CB LEU B 717 77.701 13.406 -12.390 1.00 1.00 C ATOM 1219 CG LEU B 717 79.001 13.626 -13.181 1.00 1.00 C ATOM 1220 CD1 LEU B 717 79.986 14.456 -12.352 1.00 1.00 C ATOM 1221 CD2 LEU B 717 79.628 12.269 -13.504 1.00 1.00 C ATOM 0 H LEU B 717 75.544 13.540 -11.211 1.00 1.00 H new ATOM 0 HA LEU B 717 77.755 15.302 -11.356 1.00 1.00 H new ATOM 0 HB2 LEU B 717 77.909 12.823 -11.493 1.00 1.00 H new ATOM 0 HB3 LEU B 717 76.997 12.828 -12.989 1.00 1.00 H new ATOM 0 HG LEU B 717 78.774 14.160 -14.104 1.00 1.00 H new ATOM 0 HD11 LEU B 717 80.904 14.606 -12.921 1.00 1.00 H new ATOM 0 HD12 LEU B 717 79.541 15.423 -12.119 1.00 1.00 H new ATOM 0 HD13 LEU B 717 80.216 13.930 -11.425 1.00 1.00 H new ATOM 0 HD21 LEU B 717 80.550 12.419 -14.065 1.00 1.00 H new ATOM 0 HD22 LEU B 717 79.849 11.740 -12.577 1.00 1.00 H new ATOM 0 HD23 LEU B 717 78.932 11.679 -14.101 1.00 1.00 H new ATOM 1233 N LEU B 718 75.774 15.233 -14.004 1.00 1.00 N ATOM 1234 CA LEU B 718 75.460 15.942 -15.244 1.00 1.00 C ATOM 1235 C LEU B 718 75.110 17.413 -15.010 1.00 1.00 C ATOM 1236 O LEU B 718 75.555 18.276 -15.765 1.00 1.00 O ATOM 1237 CB LEU B 718 74.294 15.255 -15.957 1.00 1.00 C ATOM 1238 CG LEU B 718 74.755 13.906 -16.510 1.00 1.00 C ATOM 1239 CD1 LEU B 718 73.537 13.113 -16.985 1.00 1.00 C ATOM 1240 CD2 LEU B 718 75.717 14.114 -17.688 1.00 1.00 C ATOM 0 H LEU B 718 75.139 14.468 -13.778 1.00 1.00 H new ATOM 0 HA LEU B 718 76.357 15.910 -15.862 1.00 1.00 H new ATOM 0 HB2 LEU B 718 73.465 15.111 -15.264 1.00 1.00 H new ATOM 0 HB3 LEU B 718 73.927 15.886 -16.767 1.00 1.00 H new ATOM 0 HG LEU B 718 75.273 13.358 -15.723 1.00 1.00 H new ATOM 0 HD11 LEU B 718 73.861 12.150 -17.380 1.00 1.00 H new ATOM 0 HD12 LEU B 718 72.859 12.952 -16.147 1.00 1.00 H new ATOM 0 HD13 LEU B 718 73.022 13.671 -17.767 1.00 1.00 H new ATOM 0 HD21 LEU B 718 76.037 13.145 -18.072 1.00 1.00 H new ATOM 0 HD22 LEU B 718 75.210 14.668 -18.478 1.00 1.00 H new ATOM 0 HD23 LEU B 718 76.588 14.677 -17.352 1.00 1.00 H new ATOM 1252 N ILE B 719 74.313 17.711 -13.984 1.00 1.00 N ATOM 1253 CA ILE B 719 73.945 19.104 -13.736 1.00 1.00 C ATOM 1254 C ILE B 719 75.180 19.903 -13.338 1.00 1.00 C ATOM 1255 O ILE B 719 75.351 21.041 -13.771 1.00 1.00 O ATOM 1256 CB ILE B 719 72.845 19.211 -12.658 1.00 1.00 C ATOM 1257 CG1 ILE B 719 72.007 20.475 -12.893 1.00 1.00 C ATOM 1258 CG2 ILE B 719 73.470 19.307 -11.269 1.00 1.00 C ATOM 1259 CD1 ILE B 719 71.146 20.327 -14.154 1.00 1.00 C ATOM 0 H ILE B 719 73.921 17.032 -13.331 1.00 1.00 H new ATOM 0 HA ILE B 719 73.538 19.523 -14.656 1.00 1.00 H new ATOM 0 HB ILE B 719 72.218 18.322 -12.722 1.00 1.00 H new ATOM 0 HG12 ILE B 719 71.368 20.659 -12.030 1.00 1.00 H new ATOM 0 HG13 ILE B 719 72.664 21.339 -12.994 1.00 1.00 H new ATOM 0 HG21 ILE B 719 72.682 19.382 -10.520 1.00 1.00 H new ATOM 0 HG22 ILE B 719 74.069 18.417 -11.077 1.00 1.00 H new ATOM 0 HG23 ILE B 719 74.106 20.191 -11.216 1.00 1.00 H new ATOM 0 HD11 ILE B 719 70.560 21.234 -14.303 1.00 1.00 H new ATOM 0 HD12 ILE B 719 71.791 20.166 -15.018 1.00 1.00 H new ATOM 0 HD13 ILE B 719 70.475 19.476 -14.039 1.00 1.00 H new ATOM 1271 N THR B 720 76.033 19.310 -12.504 1.00 1.00 N ATOM 1272 CA THR B 720 77.239 20.007 -12.053 1.00 1.00 C ATOM 1273 C THR B 720 78.111 20.406 -13.243 1.00 1.00 C ATOM 1274 O THR B 720 78.620 21.522 -13.290 1.00 1.00 O ATOM 1275 CB THR B 720 78.040 19.116 -11.102 1.00 1.00 C ATOM 1276 OG1 THR B 720 78.246 17.844 -11.700 1.00 1.00 O ATOM 1277 CG2 THR B 720 77.267 18.945 -9.800 1.00 1.00 C ATOM 0 H THR B 720 75.917 18.367 -12.132 1.00 1.00 H new ATOM 0 HA THR B 720 76.932 20.911 -11.526 1.00 1.00 H new ATOM 0 HB THR B 720 79.005 19.579 -10.897 1.00 1.00 H new ATOM 0 HG1 THR B 720 77.720 17.781 -12.524 1.00 1.00 H new ATOM 0 HG21 THR B 720 77.835 18.310 -9.120 1.00 1.00 H new ATOM 0 HG22 THR B 720 77.109 19.920 -9.340 1.00 1.00 H new ATOM 0 HG23 THR B 720 76.302 18.482 -10.008 1.00 1.00 H new ATOM 1285 N ILE B 721 78.319 19.501 -14.191 1.00 1.00 N ATOM 1286 CA ILE B 721 79.158 19.807 -15.350 1.00 1.00 C ATOM 1287 C ILE B 721 78.559 20.958 -16.162 1.00 1.00 C ATOM 1288 O ILE B 721 79.271 21.856 -16.616 1.00 1.00 O ATOM 1289 CB ILE B 721 79.314 18.563 -16.239 1.00 1.00 C ATOM 1290 CG1 ILE B 721 80.101 17.474 -15.480 1.00 1.00 C ATOM 1291 CG2 ILE B 721 80.058 18.928 -17.528 1.00 1.00 C ATOM 1292 CD1 ILE B 721 81.512 17.943 -15.095 1.00 1.00 C ATOM 0 H ILE B 721 77.926 18.560 -14.185 1.00 1.00 H new ATOM 0 HA ILE B 721 80.141 20.110 -14.989 1.00 1.00 H new ATOM 0 HB ILE B 721 78.324 18.184 -16.493 1.00 1.00 H new ATOM 0 HG12 ILE B 721 79.554 17.194 -14.580 1.00 1.00 H new ATOM 0 HG13 ILE B 721 80.173 16.581 -16.100 1.00 1.00 H new ATOM 0 HG21 ILE B 721 80.164 18.040 -18.151 1.00 1.00 H new ATOM 0 HG22 ILE B 721 79.495 19.687 -18.071 1.00 1.00 H new ATOM 0 HG23 ILE B 721 81.046 19.317 -17.280 1.00 1.00 H new ATOM 0 HD11 ILE B 721 82.028 17.144 -14.563 1.00 1.00 H new ATOM 0 HD12 ILE B 721 82.069 18.198 -15.996 1.00 1.00 H new ATOM 0 HD13 ILE B 721 81.441 18.820 -14.452 1.00 1.00 H new ATOM 1304 N HIS B 722 77.243 20.930 -16.331 1.00 1.00 N ATOM 1305 CA HIS B 722 76.582 21.999 -17.076 1.00 1.00 C ATOM 1306 C HIS B 722 76.806 23.327 -16.355 1.00 1.00 C ATOM 1307 O HIS B 722 77.053 24.359 -16.982 1.00 1.00 O ATOM 1308 CB HIS B 722 75.080 21.726 -17.219 1.00 1.00 C ATOM 1309 CG HIS B 722 74.859 20.615 -18.209 1.00 1.00 C ATOM 1310 ND1 HIS B 722 74.634 19.305 -17.812 1.00 1.00 N ATOM 1311 CD2 HIS B 722 74.834 20.599 -19.581 1.00 1.00 C ATOM 1312 CE1 HIS B 722 74.489 18.564 -18.925 1.00 1.00 C ATOM 1313 NE2 HIS B 722 74.603 19.303 -20.032 1.00 1.00 N ATOM 0 H HIS B 722 76.625 20.201 -15.974 1.00 1.00 H new ATOM 0 HA HIS B 722 77.011 22.044 -18.077 1.00 1.00 H new ATOM 0 HB2 HIS B 722 74.656 21.454 -16.252 1.00 1.00 H new ATOM 0 HB3 HIS B 722 74.566 22.629 -17.550 1.00 1.00 H new ATOM 0 HD1 HIS B 722 74.587 18.966 -16.851 1.00 1.00 H new ATOM 0 HD2 HIS B 722 74.973 21.462 -20.215 1.00 1.00 H new ATOM 0 HE1 HIS B 722 74.303 17.500 -18.924 1.00 1.00 H new