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 71:sc= 0.237 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 -8:sc= 0.125 USER MOD Single : B 701 MET CE :methyl 136:sc= -0.0812 (180deg=-1.83) USER MOD Single : B 716 LYS NZ :NH3+ 146:sc= 0.783! (180deg=-3.71!) USER MOD Single : B 720 THR OG1 : rot 79:sc= 0.92 USER MOD Single : B 722 HIS : no HE2:sc= 0.497 K(o=0.5,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 966 64.039 -16.501 3.967 1.00 1.00 N ATOM 137 CA ILE A 966 63.273 -15.448 3.303 1.00 1.00 C ATOM 138 C ILE A 966 63.136 -14.159 4.123 1.00 1.00 C ATOM 139 O ILE A 966 63.210 -13.062 3.570 1.00 1.00 O ATOM 140 CB ILE A 966 61.877 -15.974 2.968 1.00 1.00 C ATOM 141 CG1 ILE A 966 61.986 -17.052 1.888 1.00 1.00 C ATOM 142 CG2 ILE A 966 61.010 -14.822 2.455 1.00 1.00 C ATOM 143 CD1 ILE A 966 60.645 -17.775 1.747 1.00 1.00 C ATOM 0 HA ILE A 966 63.831 -15.186 2.404 1.00 1.00 H new ATOM 0 HB ILE A 966 61.423 -16.401 3.862 1.00 1.00 H new ATOM 0 HG12 ILE A 966 62.269 -16.601 0.937 1.00 1.00 H new ATOM 0 HG13 ILE A 966 62.769 -17.764 2.149 1.00 1.00 H new ATOM 0 HG21 ILE A 966 60.014 -15.195 2.215 1.00 1.00 H new ATOM 0 HG22 ILE A 966 60.934 -14.053 3.224 1.00 1.00 H new ATOM 0 HG23 ILE A 966 61.463 -14.396 1.560 1.00 1.00 H new ATOM 0 HD11 ILE A 966 60.725 -18.543 0.977 1.00 1.00 H new ATOM 0 HD12 ILE A 966 60.381 -18.240 2.697 1.00 1.00 H new ATOM 0 HD13 ILE A 966 59.873 -17.058 1.466 1.00 1.00 H new ATOM 155 N TRP A 967 62.867 -14.288 5.419 1.00 1.00 N ATOM 156 CA TRP A 967 62.648 -13.102 6.252 1.00 1.00 C ATOM 157 C TRP A 967 63.794 -12.100 6.122 1.00 1.00 C ATOM 158 O TRP A 967 63.561 -10.911 5.904 1.00 1.00 O ATOM 159 CB TRP A 967 62.552 -13.502 7.726 1.00 1.00 C ATOM 160 CG TRP A 967 62.768 -14.972 7.874 1.00 1.00 C ATOM 161 CD1 TRP A 967 63.894 -15.527 8.374 1.00 1.00 C ATOM 162 CD2 TRP A 967 61.879 -16.075 7.538 1.00 1.00 C ATOM 163 NE1 TRP A 967 63.758 -16.900 8.368 1.00 1.00 N ATOM 164 CE2 TRP A 967 62.531 -17.289 7.862 1.00 1.00 C ATOM 165 CE3 TRP A 967 60.586 -16.141 6.990 1.00 1.00 C ATOM 166 CZ2 TRP A 967 61.921 -18.526 7.649 1.00 1.00 C ATOM 167 CZ3 TRP A 967 59.968 -17.384 6.775 1.00 1.00 C ATOM 168 CH2 TRP A 967 60.634 -18.574 7.104 1.00 1.00 C ATOM 0 H TRP A 967 62.796 -15.179 5.910 1.00 1.00 H new ATOM 0 HA TRP A 967 61.721 -12.643 5.909 1.00 1.00 H new ATOM 0 HB2 TRP A 967 63.295 -12.957 8.308 1.00 1.00 H new ATOM 0 HB3 TRP A 967 61.574 -13.229 8.122 1.00 1.00 H new ATOM 0 HD1 TRP A 967 64.760 -14.984 8.722 1.00 1.00 H new ATOM 0 HE1 TRP A 967 64.474 -17.548 8.696 1.00 1.00 H new ATOM 0 HE3 TRP A 967 60.065 -15.231 6.733 1.00 1.00 H new ATOM 0 HZ2 TRP A 967 62.439 -19.439 7.903 1.00 1.00 H new ATOM 0 HZ3 TRP A 967 58.974 -17.424 6.354 1.00 1.00 H new ATOM 0 HH2 TRP A 967 60.153 -19.526 6.937 1.00 1.00 H new ATOM 179 N TRP A 968 65.020 -12.562 6.327 1.00 1.00 N ATOM 180 CA TRP A 968 66.174 -11.664 6.299 1.00 1.00 C ATOM 181 C TRP A 968 66.290 -10.935 4.966 1.00 1.00 C ATOM 182 O TRP A 968 66.605 -9.744 4.946 1.00 1.00 O ATOM 183 CB TRP A 968 67.465 -12.439 6.563 1.00 1.00 C ATOM 184 CG TRP A 968 67.389 -13.081 7.909 1.00 1.00 C ATOM 185 CD1 TRP A 968 67.366 -14.412 8.114 1.00 1.00 C ATOM 186 CD2 TRP A 968 67.296 -12.461 9.225 1.00 1.00 C ATOM 187 NE1 TRP A 968 67.276 -14.660 9.469 1.00 1.00 N ATOM 188 CE2 TRP A 968 67.228 -13.488 10.200 1.00 1.00 C ATOM 189 CE3 TRP A 968 67.270 -11.125 9.667 1.00 1.00 C ATOM 190 CZ2 TRP A 968 67.135 -13.199 11.561 1.00 1.00 C ATOM 191 CZ3 TRP A 968 67.175 -10.832 11.038 1.00 1.00 C ATOM 192 CH2 TRP A 968 67.108 -11.867 11.983 1.00 1.00 C ATOM 0 H TRP A 968 65.243 -13.540 6.512 1.00 1.00 H new ATOM 0 HA TRP A 968 66.023 -10.924 7.085 1.00 1.00 H new ATOM 0 HB2 TRP A 968 67.611 -13.197 5.794 1.00 1.00 H new ATOM 0 HB3 TRP A 968 68.322 -11.767 6.516 1.00 1.00 H new ATOM 0 HD1 TRP A 968 67.411 -15.165 7.341 1.00 1.00 H new ATOM 0 HE1 TRP A 968 67.248 -15.593 9.880 1.00 1.00 H new ATOM 0 HE3 TRP A 968 67.323 -10.321 8.948 1.00 1.00 H new ATOM 0 HZ2 TRP A 968 67.084 -13.999 12.284 1.00 1.00 H new ATOM 0 HZ3 TRP A 968 67.153 -9.803 11.367 1.00 1.00 H new ATOM 0 HH2 TRP A 968 67.036 -11.635 13.035 1.00 1.00 H new ATOM 203 N VAL A 969 66.016 -11.609 3.855 1.00 1.00 N ATOM 204 CA VAL A 969 66.085 -10.939 2.560 1.00 1.00 C ATOM 205 C VAL A 969 65.025 -9.844 2.506 1.00 1.00 C ATOM 206 O VAL A 969 65.281 -8.717 2.077 1.00 1.00 O ATOM 207 CB VAL A 969 65.848 -11.945 1.432 1.00 1.00 C ATOM 208 CG1 VAL A 969 65.716 -11.200 0.101 1.00 1.00 C ATOM 209 CG2 VAL A 969 67.029 -12.914 1.356 1.00 1.00 C ATOM 0 H VAL A 969 65.751 -12.593 3.821 1.00 1.00 H new ATOM 0 HA VAL A 969 67.074 -10.500 2.434 1.00 1.00 H new ATOM 0 HB VAL A 969 64.932 -12.501 1.630 1.00 1.00 H new ATOM 0 HG11 VAL A 969 65.547 -11.917 -0.702 1.00 1.00 H new ATOM 0 HG12 VAL A 969 64.875 -10.509 0.153 1.00 1.00 H new ATOM 0 HG13 VAL A 969 66.632 -10.643 -0.097 1.00 1.00 H new ATOM 0 HG21 VAL A 969 66.860 -13.631 0.552 1.00 1.00 H new ATOM 0 HG22 VAL A 969 67.945 -12.357 1.159 1.00 1.00 H new ATOM 0 HG23 VAL A 969 67.125 -13.446 2.303 1.00 1.00 H new ATOM 219 N LEU A 970 63.830 -10.208 2.954 1.00 1.00 N ATOM 220 CA LEU A 970 62.707 -9.277 2.971 1.00 1.00 C ATOM 221 C LEU A 970 63.017 -8.100 3.890 1.00 1.00 C ATOM 222 O LEU A 970 62.740 -6.952 3.552 1.00 1.00 O ATOM 223 CB LEU A 970 61.440 -9.998 3.452 1.00 1.00 C ATOM 224 CG LEU A 970 60.252 -9.026 3.498 1.00 1.00 C ATOM 225 CD1 LEU A 970 60.027 -8.403 2.118 1.00 1.00 C ATOM 226 CD2 LEU A 970 58.993 -9.791 3.917 1.00 1.00 C ATOM 0 H LEU A 970 63.613 -11.139 3.310 1.00 1.00 H new ATOM 0 HA LEU A 970 62.542 -8.902 1.961 1.00 1.00 H new ATOM 0 HB2 LEU A 970 61.212 -10.829 2.784 1.00 1.00 H new ATOM 0 HB3 LEU A 970 61.609 -10.422 4.442 1.00 1.00 H new ATOM 0 HG LEU A 970 60.465 -8.234 4.216 1.00 1.00 H new ATOM 0 HD11 LEU A 970 59.182 -7.716 2.162 1.00 1.00 H new ATOM 0 HD12 LEU A 970 60.922 -7.859 1.814 1.00 1.00 H new ATOM 0 HD13 LEU A 970 59.817 -9.190 1.394 1.00 1.00 H new ATOM 0 HD21 LEU A 970 58.146 -9.106 3.952 1.00 1.00 H new ATOM 0 HD22 LEU A 970 58.791 -10.582 3.195 1.00 1.00 H new ATOM 0 HD23 LEU A 970 59.145 -10.230 4.903 1.00 1.00 H new ATOM 238 N VAL A 971 63.593 -8.387 5.052 1.00 1.00 N ATOM 239 CA VAL A 971 63.929 -7.342 6.015 1.00 1.00 C ATOM 240 C VAL A 971 64.947 -6.370 5.428 1.00 1.00 C ATOM 241 O VAL A 971 64.811 -5.155 5.577 1.00 1.00 O ATOM 242 CB VAL A 971 64.496 -7.969 7.291 1.00 1.00 C ATOM 243 CG1 VAL A 971 65.011 -6.868 8.219 1.00 1.00 C ATOM 244 CG2 VAL A 971 63.392 -8.757 8.001 1.00 1.00 C ATOM 0 H VAL A 971 63.837 -9.331 5.350 1.00 1.00 H new ATOM 0 HA VAL A 971 63.018 -6.792 6.253 1.00 1.00 H new ATOM 0 HB VAL A 971 65.317 -8.638 7.033 1.00 1.00 H new ATOM 0 HG11 VAL A 971 65.414 -7.317 9.127 1.00 1.00 H new ATOM 0 HG12 VAL A 971 65.795 -6.304 7.714 1.00 1.00 H new ATOM 0 HG13 VAL A 971 64.191 -6.198 8.478 1.00 1.00 H new ATOM 0 HG21 VAL A 971 63.792 -9.205 8.910 1.00 1.00 H new ATOM 0 HG22 VAL A 971 62.573 -8.085 8.258 1.00 1.00 H new ATOM 0 HG23 VAL A 971 63.024 -9.543 7.341 1.00 1.00 H new ATOM 254 N GLY A 972 65.970 -6.906 4.772 1.00 1.00 N ATOM 255 CA GLY A 972 66.999 -6.056 4.187 1.00 1.00 C ATOM 256 C GLY A 972 66.398 -5.096 3.173 1.00 1.00 C ATOM 257 O GLY A 972 66.812 -3.941 3.078 1.00 1.00 O ATOM 0 H GLY A 972 66.108 -7.907 4.633 1.00 1.00 H new ATOM 0 HA2 GLY A 972 67.502 -5.493 4.973 1.00 1.00 H new ATOM 0 HA3 GLY A 972 67.756 -6.674 3.704 1.00 1.00 H new ATOM 261 N VAL A 973 65.430 -5.584 2.412 1.00 1.00 N ATOM 262 CA VAL A 973 64.790 -4.760 1.398 1.00 1.00 C ATOM 263 C VAL A 973 64.102 -3.554 2.034 1.00 1.00 C ATOM 264 O VAL A 973 64.247 -2.432 1.548 1.00 1.00 O ATOM 265 CB VAL A 973 63.761 -5.591 0.629 1.00 1.00 C ATOM 266 CG1 VAL A 973 62.940 -4.674 -0.279 1.00 1.00 C ATOM 267 CG2 VAL A 973 64.484 -6.636 -0.223 1.00 1.00 C ATOM 0 H VAL A 973 65.073 -6.537 2.476 1.00 1.00 H new ATOM 0 HA VAL A 973 65.557 -4.401 0.712 1.00 1.00 H new ATOM 0 HB VAL A 973 63.098 -6.092 1.335 1.00 1.00 H new ATOM 0 HG11 VAL A 973 62.207 -5.266 -0.827 1.00 1.00 H new ATOM 0 HG12 VAL A 973 62.425 -3.929 0.327 1.00 1.00 H new ATOM 0 HG13 VAL A 973 63.602 -4.173 -0.985 1.00 1.00 H new ATOM 0 HG21 VAL A 973 63.752 -7.229 -0.771 1.00 1.00 H new ATOM 0 HG22 VAL A 973 65.147 -6.135 -0.929 1.00 1.00 H new ATOM 0 HG23 VAL A 973 65.070 -7.290 0.423 1.00 1.00 H new ATOM 277 N LEU A 974 63.357 -3.775 3.114 1.00 1.00 N ATOM 278 CA LEU A 974 62.665 -2.672 3.777 1.00 1.00 C ATOM 279 C LEU A 974 63.635 -1.634 4.347 1.00 1.00 C ATOM 280 O LEU A 974 63.405 -0.434 4.231 1.00 1.00 O ATOM 281 CB LEU A 974 61.757 -3.184 4.905 1.00 1.00 C ATOM 282 CG LEU A 974 60.385 -3.615 4.358 1.00 1.00 C ATOM 283 CD1 LEU A 974 60.520 -4.843 3.459 1.00 1.00 C ATOM 284 CD2 LEU A 974 59.469 -3.956 5.535 1.00 1.00 C ATOM 0 H LEU A 974 63.218 -4.690 3.543 1.00 1.00 H new ATOM 0 HA LEU A 974 62.059 -2.190 3.010 1.00 1.00 H new ATOM 0 HB2 LEU A 974 62.234 -4.027 5.406 1.00 1.00 H new ATOM 0 HB3 LEU A 974 61.625 -2.402 5.653 1.00 1.00 H new ATOM 0 HG LEU A 974 59.967 -2.797 3.770 1.00 1.00 H new ATOM 0 HD11 LEU A 974 59.537 -5.129 3.084 1.00 1.00 H new ATOM 0 HD12 LEU A 974 61.175 -4.609 2.619 1.00 1.00 H new ATOM 0 HD13 LEU A 974 60.944 -5.668 4.031 1.00 1.00 H new ATOM 0 HD21 LEU A 974 58.493 -4.263 5.159 1.00 1.00 H new ATOM 0 HD22 LEU A 974 59.907 -4.769 6.114 1.00 1.00 H new ATOM 0 HD23 LEU A 974 59.353 -3.079 6.172 1.00 1.00 H new ATOM 296 N GLY A 975 64.716 -2.103 4.972 1.00 1.00 N ATOM 297 CA GLY A 975 65.695 -1.189 5.566 1.00 1.00 C ATOM 298 C GLY A 975 66.395 -0.353 4.501 1.00 1.00 C ATOM 299 O GLY A 975 66.550 0.859 4.657 1.00 1.00 O ATOM 0 H GLY A 975 64.935 -3.093 5.080 1.00 1.00 H new ATOM 0 HA2 GLY A 975 65.196 -0.531 6.277 1.00 1.00 H new ATOM 0 HA3 GLY A 975 66.435 -1.760 6.126 1.00 1.00 H new ATOM 303 N GLY A 976 66.805 -0.998 3.419 1.00 1.00 N ATOM 304 CA GLY A 976 67.472 -0.287 2.338 1.00 1.00 C ATOM 305 C GLY A 976 66.541 0.764 1.725 1.00 1.00 C ATOM 306 O GLY A 976 66.957 1.890 1.450 1.00 1.00 O ATOM 0 H GLY A 976 66.690 -2.000 3.266 1.00 1.00 H new ATOM 0 HA2 GLY A 976 68.374 0.195 2.715 1.00 1.00 H new ATOM 0 HA3 GLY A 976 67.786 -0.994 1.570 1.00 1.00 H new ATOM 310 N LEU A 977 65.279 0.393 1.527 1.00 1.00 N ATOM 311 CA LEU A 977 64.289 1.324 0.959 1.00 1.00 C ATOM 312 C LEU A 977 64.077 2.529 1.889 1.00 1.00 C ATOM 313 O LEU A 977 63.984 3.665 1.422 1.00 1.00 O ATOM 314 CB LEU A 977 62.955 0.594 0.739 1.00 1.00 C ATOM 315 CG LEU A 977 61.903 1.557 0.168 1.00 1.00 C ATOM 316 CD1 LEU A 977 62.406 2.168 -1.142 1.00 1.00 C ATOM 317 CD2 LEU A 977 60.606 0.788 -0.101 1.00 1.00 C ATOM 0 H LEU A 977 64.913 -0.534 1.746 1.00 1.00 H new ATOM 0 HA LEU A 977 64.666 1.688 0.003 1.00 1.00 H new ATOM 0 HB2 LEU A 977 63.100 -0.243 0.056 1.00 1.00 H new ATOM 0 HB3 LEU A 977 62.602 0.178 1.682 1.00 1.00 H new ATOM 0 HG LEU A 977 61.721 2.354 0.889 1.00 1.00 H new ATOM 0 HD11 LEU A 977 61.653 2.849 -1.539 1.00 1.00 H new ATOM 0 HD12 LEU A 977 63.330 2.716 -0.957 1.00 1.00 H new ATOM 0 HD13 LEU A 977 62.594 1.374 -1.865 1.00 1.00 H new ATOM 0 HD21 LEU A 977 59.857 1.468 -0.506 1.00 1.00 H new ATOM 0 HD22 LEU A 977 60.798 -0.010 -0.819 1.00 1.00 H new ATOM 0 HD23 LEU A 977 60.239 0.357 0.830 1.00 1.00 H new ATOM 329 N LEU A 978 63.997 2.285 3.190 1.00 1.00 N ATOM 330 CA LEU A 978 63.795 3.387 4.136 1.00 1.00 C ATOM 331 C LEU A 978 64.973 4.354 4.066 1.00 1.00 C ATOM 332 O LEU A 978 64.788 5.572 4.091 1.00 1.00 O ATOM 333 CB LEU A 978 63.642 2.852 5.563 1.00 1.00 C ATOM 334 CG LEU A 978 62.297 2.128 5.701 1.00 1.00 C ATOM 335 CD1 LEU A 978 62.256 1.377 7.033 1.00 1.00 C ATOM 336 CD2 LEU A 978 61.140 3.138 5.654 1.00 1.00 C ATOM 0 H LEU A 978 64.066 1.359 3.612 1.00 1.00 H new ATOM 0 HA LEU A 978 62.881 3.914 3.864 1.00 1.00 H new ATOM 0 HB2 LEU A 978 64.459 2.169 5.795 1.00 1.00 H new ATOM 0 HB3 LEU A 978 63.699 3.673 6.278 1.00 1.00 H new ATOM 0 HG LEU A 978 62.190 1.425 4.875 1.00 1.00 H new ATOM 0 HD11 LEU A 978 61.300 0.862 7.131 1.00 1.00 H new ATOM 0 HD12 LEU A 978 63.066 0.648 7.065 1.00 1.00 H new ATOM 0 HD13 LEU A 978 62.373 2.085 7.854 1.00 1.00 H new ATOM 0 HD21 LEU A 978 60.192 2.610 5.753 1.00 1.00 H new ATOM 0 HD22 LEU A 978 61.246 3.851 6.472 1.00 1.00 H new ATOM 0 HD23 LEU A 978 61.161 3.671 4.703 1.00 1.00 H new ATOM 348 N LEU A 979 66.176 3.814 3.968 1.00 1.00 N ATOM 349 CA LEU A 979 67.352 4.673 3.883 1.00 1.00 C ATOM 350 C LEU A 979 67.261 5.528 2.618 1.00 1.00 C ATOM 351 O LEU A 979 67.568 6.720 2.644 1.00 1.00 O ATOM 352 CB LEU A 979 68.627 3.824 3.849 1.00 1.00 C ATOM 353 CG LEU A 979 68.835 3.161 5.215 1.00 1.00 C ATOM 354 CD1 LEU A 979 69.974 2.145 5.125 1.00 1.00 C ATOM 355 CD2 LEU A 979 69.179 4.219 6.272 1.00 1.00 C ATOM 0 H LEU A 979 66.366 2.812 3.945 1.00 1.00 H new ATOM 0 HA LEU A 979 67.389 5.320 4.759 1.00 1.00 H new ATOM 0 HB2 LEU A 979 68.550 3.064 3.072 1.00 1.00 H new ATOM 0 HB3 LEU A 979 69.486 4.448 3.601 1.00 1.00 H new ATOM 0 HG LEU A 979 67.914 2.655 5.504 1.00 1.00 H new ATOM 0 HD11 LEU A 979 70.120 1.675 6.098 1.00 1.00 H new ATOM 0 HD12 LEU A 979 69.724 1.383 4.387 1.00 1.00 H new ATOM 0 HD13 LEU A 979 70.891 2.652 4.826 1.00 1.00 H new ATOM 0 HD21 LEU A 979 69.324 3.735 7.238 1.00 1.00 H new ATOM 0 HD22 LEU A 979 70.094 4.737 5.984 1.00 1.00 H new ATOM 0 HD23 LEU A 979 68.363 4.938 6.346 1.00 1.00 H new ATOM 367 N LEU A 980 66.825 4.920 1.521 1.00 1.00 N ATOM 368 CA LEU A 980 66.683 5.653 0.260 1.00 1.00 C ATOM 369 C LEU A 980 65.678 6.794 0.401 1.00 1.00 C ATOM 370 O LEU A 980 65.909 7.895 -0.101 1.00 1.00 O ATOM 371 CB LEU A 980 66.184 4.717 -0.845 1.00 1.00 C ATOM 372 CG LEU A 980 67.272 4.477 -1.893 1.00 1.00 C ATOM 373 CD1 LEU A 980 67.583 5.788 -2.620 1.00 1.00 C ATOM 374 CD2 LEU A 980 68.538 3.934 -1.225 1.00 1.00 C ATOM 0 H LEU A 980 66.566 3.935 1.474 1.00 1.00 H new ATOM 0 HA LEU A 980 67.663 6.055 0.004 1.00 1.00 H new ATOM 0 HB2 LEU A 980 65.877 3.766 -0.410 1.00 1.00 H new ATOM 0 HB3 LEU A 980 65.304 5.148 -1.322 1.00 1.00 H new ATOM 0 HG LEU A 980 66.916 3.742 -2.615 1.00 1.00 H new ATOM 0 HD11 LEU A 980 68.358 5.615 -3.366 1.00 1.00 H new ATOM 0 HD12 LEU A 980 66.682 6.154 -3.111 1.00 1.00 H new ATOM 0 HD13 LEU A 980 67.931 6.529 -1.901 1.00 1.00 H new ATOM 0 HD21 LEU A 980 69.305 3.767 -1.981 1.00 1.00 H new ATOM 0 HD22 LEU A 980 68.901 4.655 -0.493 1.00 1.00 H new ATOM 0 HD23 LEU A 980 68.310 2.993 -0.725 1.00 1.00 H new ATOM 386 N THR A 981 64.560 6.525 1.059 1.00 1.00 N ATOM 387 CA THR A 981 63.528 7.546 1.220 1.00 1.00 C ATOM 388 C THR A 981 64.054 8.744 2.006 1.00 1.00 C ATOM 389 O THR A 981 63.833 9.892 1.618 1.00 1.00 O ATOM 390 CB THR A 981 62.328 6.943 1.954 1.00 1.00 C ATOM 391 OG1 THR A 981 61.803 5.868 1.188 1.00 1.00 O ATOM 392 CG2 THR A 981 61.252 8.012 2.147 1.00 1.00 C ATOM 0 H THR A 981 64.343 5.624 1.485 1.00 1.00 H new ATOM 0 HA THR A 981 63.229 7.891 0.230 1.00 1.00 H new ATOM 0 HB THR A 981 62.644 6.575 2.930 1.00 1.00 H new ATOM 0 HG1 THR A 981 62.426 5.112 1.216 1.00 1.00 H new ATOM 0 HG21 THR A 981 60.399 7.579 2.670 1.00 1.00 H new ATOM 0 HG22 THR A 981 61.658 8.835 2.735 1.00 1.00 H new ATOM 0 HG23 THR A 981 60.931 8.384 1.174 1.00 1.00 H new ATOM 400 N ILE A 982 64.725 8.477 3.118 1.00 1.00 N ATOM 401 CA ILE A 982 65.239 9.559 3.951 1.00 1.00 C ATOM 402 C ILE A 982 66.279 10.394 3.209 1.00 1.00 C ATOM 403 O ILE A 982 66.252 11.623 3.280 1.00 1.00 O ATOM 404 CB ILE A 982 65.863 8.982 5.223 1.00 1.00 C ATOM 405 CG1 ILE A 982 64.764 8.370 6.097 1.00 1.00 C ATOM 406 CG2 ILE A 982 66.570 10.099 5.995 1.00 1.00 C ATOM 407 CD1 ILE A 982 65.400 7.553 7.224 1.00 1.00 C ATOM 0 H ILE A 982 64.925 7.538 3.461 1.00 1.00 H new ATOM 0 HA ILE A 982 64.402 10.208 4.207 1.00 1.00 H new ATOM 0 HB ILE A 982 66.586 8.211 4.958 1.00 1.00 H new ATOM 0 HG12 ILE A 982 64.137 9.157 6.514 1.00 1.00 H new ATOM 0 HG13 ILE A 982 64.117 7.734 5.493 1.00 1.00 H new ATOM 0 HG21 ILE A 982 67.015 9.689 6.902 1.00 1.00 H new ATOM 0 HG22 ILE A 982 67.351 10.534 5.372 1.00 1.00 H new ATOM 0 HG23 ILE A 982 65.848 10.870 6.262 1.00 1.00 H new ATOM 0 HD11 ILE A 982 64.617 7.118 7.845 1.00 1.00 H new ATOM 0 HD12 ILE A 982 66.009 6.756 6.797 1.00 1.00 H new ATOM 0 HD13 ILE A 982 66.028 8.202 7.834 1.00 1.00 H new ATOM 419 N LEU A 983 67.193 9.738 2.503 1.00 1.00 N ATOM 420 CA LEU A 983 68.224 10.466 1.767 1.00 1.00 C ATOM 421 C LEU A 983 67.602 11.335 0.674 1.00 1.00 C ATOM 422 O LEU A 983 68.008 12.481 0.483 1.00 1.00 O ATOM 423 CB LEU A 983 69.209 9.478 1.136 1.00 1.00 C ATOM 424 CG LEU A 983 70.038 8.799 2.235 1.00 1.00 C ATOM 425 CD1 LEU A 983 70.860 7.662 1.625 1.00 1.00 C ATOM 426 CD2 LEU A 983 70.984 9.814 2.896 1.00 1.00 C ATOM 0 H LEU A 983 67.243 8.722 2.424 1.00 1.00 H new ATOM 0 HA LEU A 983 68.752 11.113 2.468 1.00 1.00 H new ATOM 0 HB2 LEU A 983 68.667 8.728 0.560 1.00 1.00 H new ATOM 0 HB3 LEU A 983 69.867 10.000 0.441 1.00 1.00 H new ATOM 0 HG LEU A 983 69.361 8.402 2.991 1.00 1.00 H new ATOM 0 HD11 LEU A 983 71.449 7.180 2.405 1.00 1.00 H new ATOM 0 HD12 LEU A 983 70.190 6.931 1.172 1.00 1.00 H new ATOM 0 HD13 LEU A 983 71.528 8.064 0.863 1.00 1.00 H new ATOM 0 HD21 LEU A 983 71.565 9.317 3.673 1.00 1.00 H new ATOM 0 HD22 LEU A 983 71.659 10.225 2.145 1.00 1.00 H new ATOM 0 HD23 LEU A 983 70.400 10.621 3.339 1.00 1.00 H new ATOM 438 N VAL A 984 66.633 10.786 -0.050 1.00 1.00 N ATOM 439 CA VAL A 984 65.991 11.529 -1.131 1.00 1.00 C ATOM 440 C VAL A 984 65.283 12.775 -0.605 1.00 1.00 C ATOM 441 O VAL A 984 65.410 13.858 -1.176 1.00 1.00 O ATOM 442 CB VAL A 984 64.978 10.633 -1.848 1.00 1.00 C ATOM 443 CG1 VAL A 984 64.161 11.471 -2.834 1.00 1.00 C ATOM 444 CG2 VAL A 984 65.722 9.534 -2.610 1.00 1.00 C ATOM 0 H VAL A 984 66.277 9.840 0.088 1.00 1.00 H new ATOM 0 HA VAL A 984 66.767 11.844 -1.829 1.00 1.00 H new ATOM 0 HB VAL A 984 64.310 10.182 -1.115 1.00 1.00 H new ATOM 0 HG11 VAL A 984 63.440 10.832 -3.344 1.00 1.00 H new ATOM 0 HG12 VAL A 984 63.632 12.256 -2.293 1.00 1.00 H new ATOM 0 HG13 VAL A 984 64.828 11.923 -3.568 1.00 1.00 H new ATOM 0 HG21 VAL A 984 65.002 8.895 -3.121 1.00 1.00 H new ATOM 0 HG22 VAL A 984 66.390 9.987 -3.343 1.00 1.00 H new ATOM 0 HG23 VAL A 984 66.305 8.936 -1.909 1.00 1.00 H new ATOM 454 N LEU A 985 64.539 12.616 0.481 1.00 1.00 N ATOM 455 CA LEU A 985 63.819 13.743 1.066 1.00 1.00 C ATOM 456 C LEU A 985 64.797 14.810 1.552 1.00 1.00 C ATOM 457 O LEU A 985 64.557 16.003 1.367 1.00 1.00 O ATOM 458 CB LEU A 985 62.961 13.263 2.238 1.00 1.00 C ATOM 459 CG LEU A 985 61.807 12.400 1.716 1.00 1.00 C ATOM 460 CD1 LEU A 985 61.086 11.746 2.896 1.00 1.00 C ATOM 461 CD2 LEU A 985 60.811 13.260 0.925 1.00 1.00 C ATOM 0 H LEU A 985 64.418 11.730 0.971 1.00 1.00 H new ATOM 0 HA LEU A 985 63.177 14.177 0.300 1.00 1.00 H new ATOM 0 HB2 LEU A 985 63.570 12.689 2.936 1.00 1.00 H new ATOM 0 HB3 LEU A 985 62.568 14.118 2.788 1.00 1.00 H new ATOM 0 HG LEU A 985 62.212 11.632 1.057 1.00 1.00 H new ATOM 0 HD11 LEU A 985 60.265 11.132 2.526 1.00 1.00 H new ATOM 0 HD12 LEU A 985 61.787 11.120 3.449 1.00 1.00 H new ATOM 0 HD13 LEU A 985 60.692 12.519 3.555 1.00 1.00 H new ATOM 0 HD21 LEU A 985 59.997 12.633 0.561 1.00 1.00 H new ATOM 0 HD22 LEU A 985 60.407 14.038 1.573 1.00 1.00 H new ATOM 0 HD23 LEU A 985 61.320 13.721 0.079 1.00 1.00 H new ATOM 473 N ALA A 986 65.884 14.388 2.188 1.00 1.00 N ATOM 474 CA ALA A 986 66.856 15.348 2.703 1.00 1.00 C ATOM 475 C ALA A 986 67.487 16.168 1.577 1.00 1.00 C ATOM 476 O ALA A 986 67.664 17.378 1.706 1.00 1.00 O ATOM 477 CB ALA A 986 67.955 14.610 3.472 1.00 1.00 C ATOM 0 H ALA A 986 66.113 13.409 2.358 1.00 1.00 H new ATOM 0 HA ALA A 986 66.329 16.032 3.368 1.00 1.00 H new ATOM 0 HB1 ALA A 986 68.678 15.330 3.854 1.00 1.00 H new ATOM 0 HB2 ALA A 986 67.512 14.063 4.305 1.00 1.00 H new ATOM 0 HB3 ALA A 986 68.458 13.910 2.805 1.00 1.00 H new ATOM 483 N MET A 987 67.829 15.504 0.477 1.00 1.00 N ATOM 484 CA MET A 987 68.448 16.191 -0.657 1.00 1.00 C ATOM 485 C MET A 987 67.486 17.197 -1.292 1.00 1.00 C ATOM 486 O MET A 987 67.876 18.314 -1.632 1.00 1.00 O ATOM 487 CB MET A 987 68.882 15.164 -1.702 1.00 1.00 C ATOM 488 CG MET A 987 70.069 14.363 -1.162 1.00 1.00 C ATOM 489 SD MET A 987 70.581 13.138 -2.393 1.00 1.00 S ATOM 490 CE MET A 987 71.731 12.223 -1.335 1.00 1.00 C ATOM 0 H MET A 987 67.691 14.502 0.345 1.00 1.00 H new ATOM 0 HA MET A 987 69.316 16.738 -0.291 1.00 1.00 H new ATOM 0 HB2 MET A 987 68.054 14.495 -1.937 1.00 1.00 H new ATOM 0 HB3 MET A 987 69.159 15.666 -2.629 1.00 1.00 H new ATOM 0 HG2 MET A 987 70.898 15.032 -0.932 1.00 1.00 H new ATOM 0 HG3 MET A 987 69.793 13.866 -0.232 1.00 1.00 H new ATOM 0 HE1 MET A 987 72.173 11.404 -1.902 1.00 1.00 H new ATOM 0 HE2 MET A 987 72.519 12.892 -0.990 1.00 1.00 H new ATOM 0 HE3 MET A 987 71.194 11.822 -0.476 1.00 1.00 H new ATOM 500 N TRP A 988 66.233 16.792 -1.439 1.00 1.00 N ATOM 501 CA TRP A 988 65.218 17.666 -2.027 1.00 1.00 C ATOM 502 C TRP A 988 65.002 18.895 -1.143 1.00 1.00 C ATOM 503 O TRP A 988 64.887 20.011 -1.646 1.00 1.00 O ATOM 504 CB TRP A 988 63.905 16.887 -2.172 1.00 1.00 C ATOM 505 CG TRP A 988 62.775 17.818 -2.479 1.00 1.00 C ATOM 506 CD1 TRP A 988 62.875 18.968 -3.185 1.00 1.00 C ATOM 507 CD2 TRP A 988 61.374 17.695 -2.096 1.00 1.00 C ATOM 508 NE1 TRP A 988 61.624 19.554 -3.263 1.00 1.00 N ATOM 509 CE2 TRP A 988 60.667 18.808 -2.606 1.00 1.00 C ATOM 510 CE3 TRP A 988 60.656 16.732 -1.362 1.00 1.00 C ATOM 511 CZ2 TRP A 988 59.295 18.962 -2.396 1.00 1.00 C ATOM 512 CZ3 TRP A 988 59.276 16.884 -1.150 1.00 1.00 C ATOM 513 CH2 TRP A 988 58.597 17.997 -1.665 1.00 1.00 C ATOM 0 H TRP A 988 65.892 15.871 -1.163 1.00 1.00 H new ATOM 0 HA TRP A 988 65.554 18.000 -3.008 1.00 1.00 H new ATOM 0 HB2 TRP A 988 64.000 16.147 -2.966 1.00 1.00 H new ATOM 0 HB3 TRP A 988 63.695 16.342 -1.252 1.00 1.00 H new ATOM 0 HD1 TRP A 988 63.782 19.364 -3.617 1.00 1.00 H new ATOM 0 HE1 TRP A 988 61.432 20.431 -3.747 1.00 1.00 H new ATOM 0 HE3 TRP A 988 61.169 15.871 -0.960 1.00 1.00 H new ATOM 0 HZ2 TRP A 988 58.777 19.821 -2.796 1.00 1.00 H new ATOM 0 HZ3 TRP A 988 58.734 16.139 -0.587 1.00 1.00 H new ATOM 0 HH2 TRP A 988 57.536 18.109 -1.497 1.00 1.00 H new ATOM 524 N LYS A 989 64.922 18.699 0.161 1.00 1.00 N ATOM 525 CA LYS A 989 64.684 19.813 1.076 1.00 1.00 C ATOM 526 C LYS A 989 65.818 20.830 1.040 1.00 1.00 C ATOM 527 O LYS A 989 65.600 22.031 1.203 1.00 1.00 O ATOM 528 CB LYS A 989 64.521 19.281 2.502 1.00 1.00 C ATOM 529 CG LYS A 989 64.146 20.430 3.442 1.00 1.00 C ATOM 530 CD LYS A 989 63.922 19.880 4.851 1.00 1.00 C ATOM 531 CE LYS A 989 63.527 21.024 5.787 1.00 1.00 C ATOM 532 NZ LYS A 989 63.288 20.485 7.157 1.00 1.00 N ATOM 0 H LYS A 989 65.017 17.789 0.612 1.00 1.00 H new ATOM 0 HA LYS A 989 63.772 20.317 0.755 1.00 1.00 H new ATOM 0 HB2 LYS A 989 63.750 18.511 2.527 1.00 1.00 H new ATOM 0 HB3 LYS A 989 65.448 18.814 2.834 1.00 1.00 H new ATOM 0 HG2 LYS A 989 64.938 21.179 3.453 1.00 1.00 H new ATOM 0 HG3 LYS A 989 63.243 20.926 3.086 1.00 1.00 H new ATOM 0 HD2 LYS A 989 63.140 19.121 4.837 1.00 1.00 H new ATOM 0 HD3 LYS A 989 64.829 19.396 5.213 1.00 1.00 H new ATOM 0 HE2 LYS A 989 64.316 21.776 5.813 1.00 1.00 H new ATOM 0 HE3 LYS A 989 62.628 21.517 5.417 1.00 1.00 H new ATOM 0 HZ1 LYS A 989 63.019 21.262 7.794 1.00 1.00 H new ATOM 0 HZ2 LYS A 989 62.521 19.783 7.125 1.00 1.00 H new ATOM 0 HZ3 LYS A 989 64.156 20.034 7.509 1.00 1.00 H new ATOM 546 N VAL A 990 67.028 20.333 0.837 1.00 1.00 N ATOM 547 CA VAL A 990 68.195 21.197 0.796 1.00 1.00 C ATOM 548 C VAL A 990 68.253 21.905 -0.538 1.00 1.00 C ATOM 549 O VAL A 990 69.142 22.720 -0.784 1.00 1.00 O ATOM 550 CB VAL A 990 69.470 20.374 1.004 1.00 1.00 C ATOM 551 CG1 VAL A 990 70.689 21.301 1.011 1.00 1.00 C ATOM 552 CG2 VAL A 990 69.386 19.635 2.342 1.00 1.00 C ATOM 0 H VAL A 990 67.226 19.342 0.699 1.00 1.00 H new ATOM 0 HA VAL A 990 68.120 21.935 1.595 1.00 1.00 H new ATOM 0 HB VAL A 990 69.570 19.653 0.193 1.00 1.00 H new ATOM 0 HG11 VAL A 990 71.594 20.711 1.159 1.00 1.00 H new ATOM 0 HG12 VAL A 990 70.751 21.828 0.059 1.00 1.00 H new ATOM 0 HG13 VAL A 990 70.591 22.025 1.820 1.00 1.00 H new ATOM 0 HG21 VAL A 990 70.293 19.049 2.491 1.00 1.00 H new ATOM 0 HG22 VAL A 990 69.284 20.358 3.151 1.00 1.00 H new ATOM 0 HG23 VAL A 990 68.521 18.971 2.337 1.00 1.00 H new ATOM 562 N GLY A 991 67.298 21.592 -1.400 1.00 1.00 N ATOM 563 CA GLY A 991 67.246 22.202 -2.706 1.00 1.00 C ATOM 564 C GLY A 991 68.397 21.684 -3.530 1.00 1.00 C ATOM 565 O GLY A 991 68.694 22.230 -4.593 1.00 1.00 O ATOM 0 H GLY A 991 66.553 20.920 -1.213 1.00 1.00 H new ATOM 0 HA2 GLY A 991 66.299 21.971 -3.193 1.00 1.00 H new ATOM 0 HA3 GLY A 991 67.303 23.287 -2.618 1.00 1.00 H new ATOM 569 N PHE A 992 69.081 20.662 -3.036 1.00 1.00 N ATOM 570 CA PHE A 992 70.230 20.135 -3.740 1.00 1.00 C ATOM 571 C PHE A 992 69.791 19.791 -5.161 1.00 1.00 C ATOM 572 O PHE A 992 70.455 20.140 -6.137 1.00 1.00 O ATOM 573 CB PHE A 992 70.727 18.874 -3.012 1.00 1.00 C ATOM 574 CG PHE A 992 72.222 18.646 -3.207 1.00 1.00 C ATOM 575 CD1 PHE A 992 72.904 19.102 -4.349 1.00 1.00 C ATOM 576 CD2 PHE A 992 72.933 17.967 -2.205 1.00 1.00 C ATOM 577 CE1 PHE A 992 74.280 18.879 -4.480 1.00 1.00 C ATOM 578 CE2 PHE A 992 74.308 17.744 -2.342 1.00 1.00 C ATOM 579 CZ PHE A 992 74.981 18.200 -3.479 1.00 1.00 C ATOM 0 H PHE A 992 68.860 20.189 -2.160 1.00 1.00 H new ATOM 0 HA PHE A 992 71.041 20.863 -3.771 1.00 1.00 H new ATOM 0 HB2 PHE A 992 70.511 18.963 -1.947 1.00 1.00 H new ATOM 0 HB3 PHE A 992 70.178 18.006 -3.377 1.00 1.00 H new ATOM 0 HD1 PHE A 992 72.366 19.625 -5.126 1.00 1.00 H new ATOM 0 HD2 PHE A 992 72.417 17.615 -1.324 1.00 1.00 H new ATOM 0 HE1 PHE A 992 74.802 19.233 -5.357 1.00 1.00 H new ATOM 0 HE2 PHE A 992 74.849 17.219 -1.569 1.00 1.00 H new ATOM 0 HZ PHE A 992 76.042 18.028 -3.584 1.00 1.00 H new ATOM 589 N PHE A 993 68.632 19.152 -5.278 1.00 1.00 N ATOM 590 CA PHE A 993 68.114 18.826 -6.602 1.00 1.00 C ATOM 591 C PHE A 993 67.384 20.025 -7.207 1.00 1.00 C ATOM 592 O PHE A 993 67.132 20.061 -8.411 1.00 1.00 O ATOM 593 CB PHE A 993 67.168 17.628 -6.545 1.00 1.00 C ATOM 594 CG PHE A 993 67.972 16.362 -6.377 1.00 1.00 C ATOM 595 CD1 PHE A 993 68.743 15.882 -7.443 1.00 1.00 C ATOM 596 CD2 PHE A 993 67.938 15.660 -5.166 1.00 1.00 C ATOM 597 CE1 PHE A 993 69.483 14.705 -7.298 1.00 1.00 C ATOM 598 CE2 PHE A 993 68.680 14.481 -5.023 1.00 1.00 C ATOM 599 CZ PHE A 993 69.451 14.004 -6.088 1.00 1.00 C ATOM 0 H PHE A 993 68.047 18.856 -4.496 1.00 1.00 H new ATOM 0 HA PHE A 993 68.965 18.569 -7.232 1.00 1.00 H new ATOM 0 HB2 PHE A 993 66.470 17.741 -5.716 1.00 1.00 H new ATOM 0 HB3 PHE A 993 66.574 17.576 -7.457 1.00 1.00 H new ATOM 0 HD1 PHE A 993 68.766 16.422 -8.378 1.00 1.00 H new ATOM 0 HD2 PHE A 993 67.341 16.027 -4.344 1.00 1.00 H new ATOM 0 HE1 PHE A 993 70.079 14.337 -8.120 1.00 1.00 H new ATOM 0 HE2 PHE A 993 68.657 13.939 -4.089 1.00 1.00 H new ATOM 0 HZ PHE A 993 70.022 13.094 -5.976 1.00 1.00 H new ATOM 804 N ASP B 692 76.920 -15.895 6.875 1.00 1.00 N ATOM 805 CA ASP B 692 76.305 -15.364 8.086 1.00 1.00 C ATOM 806 C ASP B 692 75.106 -14.490 7.732 1.00 1.00 C ATOM 807 O ASP B 692 75.132 -13.746 6.751 1.00 1.00 O ATOM 808 CB ASP B 692 77.328 -14.540 8.872 1.00 1.00 C ATOM 809 CG ASP B 692 78.374 -15.461 9.492 1.00 1.00 C ATOM 810 OD1 ASP B 692 78.133 -16.656 9.534 1.00 1.00 O ATOM 811 OD2 ASP B 692 79.400 -14.956 9.918 1.00 1.00 O ATOM 0 HA ASP B 692 75.965 -16.199 8.699 1.00 1.00 H new ATOM 0 HB2 ASP B 692 77.811 -13.820 8.212 1.00 1.00 H new ATOM 0 HB3 ASP B 692 76.825 -13.970 9.653 1.00 1.00 H new ATOM 816 N ILE B 693 74.042 -14.623 8.516 1.00 1.00 N ATOM 817 CA ILE B 693 72.807 -13.885 8.269 1.00 1.00 C ATOM 818 C ILE B 693 73.003 -12.376 8.376 1.00 1.00 C ATOM 819 O ILE B 693 72.494 -11.626 7.544 1.00 1.00 O ATOM 820 CB ILE B 693 71.732 -14.316 9.268 1.00 1.00 C ATOM 821 CG1 ILE B 693 71.309 -15.759 8.983 1.00 1.00 C ATOM 822 CG2 ILE B 693 70.520 -13.394 9.132 1.00 1.00 C ATOM 823 CD1 ILE B 693 70.455 -16.281 10.142 1.00 1.00 C ATOM 0 H ILE B 693 74.009 -15.236 9.330 1.00 1.00 H new ATOM 0 HA ILE B 693 72.497 -14.116 7.250 1.00 1.00 H new ATOM 0 HB ILE B 693 72.131 -14.253 10.280 1.00 1.00 H new ATOM 0 HG12 ILE B 693 70.745 -15.806 8.052 1.00 1.00 H new ATOM 0 HG13 ILE B 693 72.190 -16.388 8.854 1.00 1.00 H new ATOM 0 HG21 ILE B 693 69.751 -13.697 9.842 1.00 1.00 H new ATOM 0 HG22 ILE B 693 70.820 -12.366 9.338 1.00 1.00 H new ATOM 0 HG23 ILE B 693 70.124 -13.460 8.118 1.00 1.00 H new ATOM 0 HD11 ILE B 693 70.154 -17.309 9.938 1.00 1.00 H new ATOM 0 HD12 ILE B 693 71.035 -16.249 11.064 1.00 1.00 H new ATOM 0 HD13 ILE B 693 69.567 -15.658 10.249 1.00 1.00 H new ATOM 835 N LEU B 694 73.728 -11.929 9.394 1.00 1.00 N ATOM 836 CA LEU B 694 73.957 -10.501 9.574 1.00 1.00 C ATOM 837 C LEU B 694 74.728 -9.930 8.388 1.00 1.00 C ATOM 838 O LEU B 694 74.418 -8.845 7.902 1.00 1.00 O ATOM 839 CB LEU B 694 74.746 -10.254 10.864 1.00 1.00 C ATOM 840 CG LEU B 694 73.865 -10.575 12.079 1.00 1.00 C ATOM 841 CD1 LEU B 694 74.718 -10.538 13.349 1.00 1.00 C ATOM 842 CD2 LEU B 694 72.727 -9.551 12.202 1.00 1.00 C ATOM 0 H LEU B 694 74.162 -12.525 10.099 1.00 1.00 H new ATOM 0 HA LEU B 694 72.990 -10.003 9.640 1.00 1.00 H new ATOM 0 HB2 LEU B 694 75.642 -10.875 10.878 1.00 1.00 H new ATOM 0 HB3 LEU B 694 75.077 -9.216 10.906 1.00 1.00 H new ATOM 0 HG LEU B 694 73.434 -11.568 11.949 1.00 1.00 H new ATOM 0 HD11 LEU B 694 74.094 -10.766 14.213 1.00 1.00 H new ATOM 0 HD12 LEU B 694 75.516 -11.277 13.273 1.00 1.00 H new ATOM 0 HD13 LEU B 694 75.152 -9.545 13.467 1.00 1.00 H new ATOM 0 HD21 LEU B 694 72.112 -9.793 13.069 1.00 1.00 H new ATOM 0 HD22 LEU B 694 73.147 -8.553 12.323 1.00 1.00 H new ATOM 0 HD23 LEU B 694 72.113 -9.579 11.302 1.00 1.00 H new ATOM 854 N VAL B 695 75.733 -10.667 7.930 1.00 1.00 N ATOM 855 CA VAL B 695 76.543 -10.219 6.802 1.00 1.00 C ATOM 856 C VAL B 695 75.693 -10.081 5.542 1.00 1.00 C ATOM 857 O VAL B 695 75.787 -9.084 4.824 1.00 1.00 O ATOM 858 CB VAL B 695 77.677 -11.213 6.548 1.00 1.00 C ATOM 859 CG1 VAL B 695 78.390 -10.853 5.244 1.00 1.00 C ATOM 860 CG2 VAL B 695 78.674 -11.153 7.709 1.00 1.00 C ATOM 0 H VAL B 695 76.006 -11.570 8.318 1.00 1.00 H new ATOM 0 HA VAL B 695 76.960 -9.243 7.048 1.00 1.00 H new ATOM 0 HB VAL B 695 77.268 -12.220 6.470 1.00 1.00 H new ATOM 0 HG11 VAL B 695 79.198 -11.562 5.064 1.00 1.00 H new ATOM 0 HG12 VAL B 695 77.680 -10.894 4.418 1.00 1.00 H new ATOM 0 HG13 VAL B 695 78.801 -9.846 5.320 1.00 1.00 H new ATOM 0 HG21 VAL B 695 79.483 -11.861 7.530 1.00 1.00 H new ATOM 0 HG22 VAL B 695 79.083 -10.146 7.786 1.00 1.00 H new ATOM 0 HG23 VAL B 695 78.166 -11.410 8.639 1.00 1.00 H new ATOM 870 N VAL B 696 74.853 -11.076 5.282 1.00 1.00 N ATOM 871 CA VAL B 696 73.985 -11.039 4.113 1.00 1.00 C ATOM 872 C VAL B 696 73.000 -9.879 4.217 1.00 1.00 C ATOM 873 O VAL B 696 72.764 -9.159 3.248 1.00 1.00 O ATOM 874 CB VAL B 696 73.215 -12.355 3.994 1.00 1.00 C ATOM 875 CG1 VAL B 696 72.164 -12.236 2.889 1.00 1.00 C ATOM 876 CG2 VAL B 696 74.188 -13.485 3.652 1.00 1.00 C ATOM 0 H VAL B 696 74.755 -11.911 5.860 1.00 1.00 H new ATOM 0 HA VAL B 696 74.604 -10.899 3.227 1.00 1.00 H new ATOM 0 HB VAL B 696 72.721 -12.573 4.941 1.00 1.00 H new ATOM 0 HG11 VAL B 696 71.616 -13.175 2.805 1.00 1.00 H new ATOM 0 HG12 VAL B 696 71.470 -11.431 3.132 1.00 1.00 H new ATOM 0 HG13 VAL B 696 72.656 -12.017 1.941 1.00 1.00 H new ATOM 0 HG21 VAL B 696 73.640 -14.424 3.567 1.00 1.00 H new ATOM 0 HG22 VAL B 696 74.682 -13.266 2.705 1.00 1.00 H new ATOM 0 HG23 VAL B 696 74.936 -13.572 4.440 1.00 1.00 H new ATOM 886 N LEU B 697 72.410 -9.718 5.396 1.00 1.00 N ATOM 887 CA LEU B 697 71.431 -8.660 5.623 1.00 1.00 C ATOM 888 C LEU B 697 72.041 -7.270 5.436 1.00 1.00 C ATOM 889 O LEU B 697 71.434 -6.397 4.813 1.00 1.00 O ATOM 890 CB LEU B 697 70.880 -8.798 7.051 1.00 1.00 C ATOM 891 CG LEU B 697 69.891 -7.670 7.368 1.00 1.00 C ATOM 892 CD1 LEU B 697 68.775 -7.651 6.331 1.00 1.00 C ATOM 893 CD2 LEU B 697 69.285 -7.905 8.753 1.00 1.00 C ATOM 0 H LEU B 697 72.592 -10.306 6.209 1.00 1.00 H new ATOM 0 HA LEU B 697 70.631 -8.766 4.890 1.00 1.00 H new ATOM 0 HB2 LEU B 697 70.385 -9.763 7.162 1.00 1.00 H new ATOM 0 HB3 LEU B 697 71.703 -8.777 7.766 1.00 1.00 H new ATOM 0 HG LEU B 697 70.417 -6.716 7.349 1.00 1.00 H new ATOM 0 HD11 LEU B 697 68.076 -6.847 6.563 1.00 1.00 H new ATOM 0 HD12 LEU B 697 69.201 -7.487 5.341 1.00 1.00 H new ATOM 0 HD13 LEU B 697 68.248 -8.605 6.346 1.00 1.00 H new ATOM 0 HD21 LEU B 697 68.581 -7.105 8.983 1.00 1.00 H new ATOM 0 HD22 LEU B 697 68.763 -8.862 8.764 1.00 1.00 H new ATOM 0 HD23 LEU B 697 70.078 -7.916 9.500 1.00 1.00 H new ATOM 905 N LEU B 698 73.241 -7.078 5.969 1.00 1.00 N ATOM 906 CA LEU B 698 73.928 -5.794 5.846 1.00 1.00 C ATOM 907 C LEU B 698 74.248 -5.493 4.387 1.00 1.00 C ATOM 908 O LEU B 698 74.098 -4.363 3.923 1.00 1.00 O ATOM 909 CB LEU B 698 75.220 -5.802 6.669 1.00 1.00 C ATOM 910 CG LEU B 698 74.882 -5.795 8.165 1.00 1.00 C ATOM 911 CD1 LEU B 698 76.152 -6.050 8.977 1.00 1.00 C ATOM 912 CD2 LEU B 698 74.286 -4.440 8.572 1.00 1.00 C ATOM 0 H LEU B 698 73.758 -7.788 6.488 1.00 1.00 H new ATOM 0 HA LEU B 698 73.267 -5.016 6.227 1.00 1.00 H new ATOM 0 HB2 LEU B 698 75.812 -6.684 6.425 1.00 1.00 H new ATOM 0 HB3 LEU B 698 75.826 -4.931 6.420 1.00 1.00 H new ATOM 0 HG LEU B 698 74.151 -6.579 8.363 1.00 1.00 H new ATOM 0 HD11 LEU B 698 75.911 -6.045 10.040 1.00 1.00 H new ATOM 0 HD12 LEU B 698 76.570 -7.019 8.704 1.00 1.00 H new ATOM 0 HD13 LEU B 698 76.882 -5.268 8.766 1.00 1.00 H new ATOM 0 HD21 LEU B 698 74.051 -4.451 9.636 1.00 1.00 H new ATOM 0 HD22 LEU B 698 75.007 -3.649 8.367 1.00 1.00 H new ATOM 0 HD23 LEU B 698 73.375 -4.257 8.002 1.00 1.00 H new ATOM 924 N SER B 699 74.703 -6.514 3.674 1.00 1.00 N ATOM 925 CA SER B 699 75.061 -6.368 2.269 1.00 1.00 C ATOM 926 C SER B 699 73.862 -5.965 1.405 1.00 1.00 C ATOM 927 O SER B 699 74.000 -5.148 0.495 1.00 1.00 O ATOM 928 CB SER B 699 75.650 -7.685 1.772 1.00 1.00 C ATOM 929 OG SER B 699 74.731 -8.732 2.043 1.00 1.00 O ATOM 0 H SER B 699 74.833 -7.455 4.046 1.00 1.00 H new ATOM 0 HA SER B 699 75.796 -5.567 2.184 1.00 1.00 H new ATOM 0 HB2 SER B 699 75.851 -7.628 0.702 1.00 1.00 H new ATOM 0 HB3 SER B 699 76.602 -7.882 2.265 1.00 1.00 H new ATOM 0 HG SER B 699 74.002 -8.391 2.602 1.00 1.00 H new ATOM 935 N VAL B 700 72.689 -6.533 1.686 1.00 1.00 N ATOM 936 CA VAL B 700 71.489 -6.204 0.912 1.00 1.00 C ATOM 937 C VAL B 700 71.127 -4.731 1.083 1.00 1.00 C ATOM 938 O VAL B 700 70.839 -4.031 0.115 1.00 1.00 O ATOM 939 CB VAL B 700 70.317 -7.073 1.373 1.00 1.00 C ATOM 940 CG1 VAL B 700 69.022 -6.579 0.723 1.00 1.00 C ATOM 941 CG2 VAL B 700 70.568 -8.525 0.963 1.00 1.00 C ATOM 0 H VAL B 700 72.543 -7.213 2.432 1.00 1.00 H new ATOM 0 HA VAL B 700 71.695 -6.397 -0.141 1.00 1.00 H new ATOM 0 HB VAL B 700 70.225 -7.009 2.457 1.00 1.00 H new ATOM 0 HG11 VAL B 700 68.189 -7.200 1.053 1.00 1.00 H new ATOM 0 HG12 VAL B 700 68.841 -5.544 1.014 1.00 1.00 H new ATOM 0 HG13 VAL B 700 69.113 -6.641 -0.361 1.00 1.00 H new ATOM 0 HG21 VAL B 700 69.734 -9.145 1.291 1.00 1.00 H new ATOM 0 HG22 VAL B 700 70.661 -8.586 -0.121 1.00 1.00 H new ATOM 0 HG23 VAL B 700 71.488 -8.880 1.427 1.00 1.00 H new ATOM 951 N MET B 701 71.155 -4.277 2.324 1.00 1.00 N ATOM 952 CA MET B 701 70.831 -2.885 2.617 1.00 1.00 C ATOM 953 C MET B 701 71.839 -1.945 1.963 1.00 1.00 C ATOM 954 O MET B 701 71.457 -0.899 1.435 1.00 1.00 O ATOM 955 CB MET B 701 70.758 -2.637 4.124 1.00 1.00 C ATOM 956 CG MET B 701 69.437 -3.185 4.663 1.00 1.00 C ATOM 957 SD MET B 701 69.413 -3.042 6.469 1.00 1.00 S ATOM 958 CE MET B 701 69.305 -1.236 6.570 1.00 1.00 C ATOM 0 H MET B 701 71.395 -4.841 3.139 1.00 1.00 H new ATOM 0 HA MET B 701 69.847 -2.678 2.197 1.00 1.00 H new ATOM 0 HB2 MET B 701 71.597 -3.121 4.625 1.00 1.00 H new ATOM 0 HB3 MET B 701 70.834 -1.570 4.333 1.00 1.00 H new ATOM 0 HG2 MET B 701 68.600 -2.634 4.233 1.00 1.00 H new ATOM 0 HG3 MET B 701 69.317 -4.228 4.369 1.00 1.00 H new ATOM 0 HE1 MET B 701 68.567 -0.957 7.322 1.00 1.00 H new ATOM 0 HE2 MET B 701 70.277 -0.828 6.847 1.00 1.00 H new ATOM 0 HE3 MET B 701 69.006 -0.835 5.602 1.00 1.00 H new ATOM 968 N GLY B 702 73.119 -2.317 1.971 1.00 1.00 N ATOM 969 CA GLY B 702 74.146 -1.491 1.341 1.00 1.00 C ATOM 970 C GLY B 702 73.916 -1.427 -0.167 1.00 1.00 C ATOM 971 O GLY B 702 74.071 -0.376 -0.787 1.00 1.00 O ATOM 0 H GLY B 702 73.466 -3.174 2.401 1.00 1.00 H new ATOM 0 HA2 GLY B 702 74.125 -0.486 1.763 1.00 1.00 H new ATOM 0 HA3 GLY B 702 75.133 -1.903 1.549 1.00 1.00 H new ATOM 975 N ALA B 703 73.556 -2.569 -0.755 1.00 1.00 N ATOM 976 CA ALA B 703 73.310 -2.651 -2.195 1.00 1.00 C ATOM 977 C ALA B 703 72.150 -1.742 -2.592 1.00 1.00 C ATOM 978 O ALA B 703 72.193 -1.073 -3.624 1.00 1.00 O ATOM 979 CB ALA B 703 72.975 -4.096 -2.577 1.00 1.00 C ATOM 0 H ALA B 703 73.428 -3.449 -0.256 1.00 1.00 H new ATOM 0 HA ALA B 703 74.208 -2.328 -2.721 1.00 1.00 H new ATOM 0 HB1 ALA B 703 72.792 -4.156 -3.650 1.00 1.00 H new ATOM 0 HB2 ALA B 703 73.811 -4.745 -2.315 1.00 1.00 H new ATOM 0 HB3 ALA B 703 72.083 -4.417 -2.038 1.00 1.00 H new ATOM 985 N ILE B 704 71.129 -1.694 -1.753 1.00 1.00 N ATOM 986 CA ILE B 704 69.997 -0.833 -2.057 1.00 1.00 C ATOM 987 C ILE B 704 70.482 0.606 -2.134 1.00 1.00 C ATOM 988 O ILE B 704 70.090 1.350 -3.033 1.00 1.00 O ATOM 989 CB ILE B 704 68.895 -0.928 -0.992 1.00 1.00 C ATOM 990 CG1 ILE B 704 68.207 -2.310 -1.013 1.00 1.00 C ATOM 991 CG2 ILE B 704 67.852 0.173 -1.224 1.00 1.00 C ATOM 992 CD1 ILE B 704 67.609 -2.611 -2.394 1.00 1.00 C ATOM 0 H ILE B 704 71.058 -2.222 -0.883 1.00 1.00 H new ATOM 0 HA ILE B 704 69.574 -1.159 -3.007 1.00 1.00 H new ATOM 0 HB ILE B 704 69.359 -0.796 -0.015 1.00 1.00 H new ATOM 0 HG12 ILE B 704 68.929 -3.083 -0.750 1.00 1.00 H new ATOM 0 HG13 ILE B 704 67.420 -2.339 -0.259 1.00 1.00 H new ATOM 0 HG21 ILE B 704 67.072 0.101 -0.466 1.00 1.00 H new ATOM 0 HG22 ILE B 704 68.333 1.149 -1.159 1.00 1.00 H new ATOM 0 HG23 ILE B 704 67.409 0.052 -2.213 1.00 1.00 H new ATOM 0 HD11 ILE B 704 67.131 -3.591 -2.378 1.00 1.00 H new ATOM 0 HD12 ILE B 704 66.869 -1.851 -2.644 1.00 1.00 H new ATOM 0 HD13 ILE B 704 68.401 -2.606 -3.143 1.00 1.00 H new ATOM 1004 N LEU B 705 71.352 0.996 -1.202 1.00 1.00 N ATOM 1005 CA LEU B 705 71.881 2.354 -1.201 1.00 1.00 C ATOM 1006 C LEU B 705 72.652 2.638 -2.490 1.00 1.00 C ATOM 1007 O LEU B 705 72.484 3.694 -3.092 1.00 1.00 O ATOM 1008 CB LEU B 705 72.824 2.541 -0.008 1.00 1.00 C ATOM 1009 CG LEU B 705 72.034 2.548 1.307 1.00 1.00 C ATOM 1010 CD1 LEU B 705 73.010 2.474 2.484 1.00 1.00 C ATOM 1011 CD2 LEU B 705 71.215 3.836 1.425 1.00 1.00 C ATOM 0 H LEU B 705 71.699 0.400 -0.451 1.00 1.00 H new ATOM 0 HA LEU B 705 71.042 3.046 -1.129 1.00 1.00 H new ATOM 0 HB2 LEU B 705 73.562 1.739 0.009 1.00 1.00 H new ATOM 0 HB3 LEU B 705 73.373 3.477 -0.114 1.00 1.00 H new ATOM 0 HG LEU B 705 71.362 1.690 1.319 1.00 1.00 H new ATOM 0 HD11 LEU B 705 72.452 2.479 3.420 1.00 1.00 H new ATOM 0 HD12 LEU B 705 73.595 1.557 2.415 1.00 1.00 H new ATOM 0 HD13 LEU B 705 73.679 3.334 2.456 1.00 1.00 H new ATOM 0 HD21 LEU B 705 70.659 3.829 2.362 1.00 1.00 H new ATOM 0 HD22 LEU B 705 71.885 4.696 1.407 1.00 1.00 H new ATOM 0 HD23 LEU B 705 70.518 3.902 0.590 1.00 1.00 H new ATOM 1023 N LEU B 706 73.490 1.700 -2.931 1.00 1.00 N ATOM 1024 CA LEU B 706 74.245 1.912 -4.162 1.00 1.00 C ATOM 1025 C LEU B 706 73.296 2.032 -5.348 1.00 1.00 C ATOM 1026 O LEU B 706 73.461 2.904 -6.200 1.00 1.00 O ATOM 1027 CB LEU B 706 75.226 0.753 -4.384 1.00 1.00 C ATOM 1028 CG LEU B 706 76.013 0.940 -5.692 1.00 1.00 C ATOM 1029 CD1 LEU B 706 76.776 2.271 -5.668 1.00 1.00 C ATOM 1030 CD2 LEU B 706 77.009 -0.215 -5.837 1.00 1.00 C ATOM 0 H LEU B 706 73.660 0.808 -2.467 1.00 1.00 H new ATOM 0 HA LEU B 706 74.810 2.840 -4.072 1.00 1.00 H new ATOM 0 HB2 LEU B 706 75.918 0.692 -3.544 1.00 1.00 H new ATOM 0 HB3 LEU B 706 74.680 -0.190 -4.416 1.00 1.00 H new ATOM 0 HG LEU B 706 75.320 0.949 -6.533 1.00 1.00 H new ATOM 0 HD11 LEU B 706 77.329 2.390 -6.600 1.00 1.00 H new ATOM 0 HD12 LEU B 706 76.069 3.094 -5.557 1.00 1.00 H new ATOM 0 HD13 LEU B 706 77.473 2.276 -4.830 1.00 1.00 H new ATOM 0 HD21 LEU B 706 77.574 -0.094 -6.761 1.00 1.00 H new ATOM 0 HD22 LEU B 706 77.695 -0.213 -4.990 1.00 1.00 H new ATOM 0 HD23 LEU B 706 76.468 -1.161 -5.863 1.00 1.00 H new ATOM 1042 N ILE B 707 72.301 1.149 -5.395 1.00 1.00 N ATOM 1043 CA ILE B 707 71.334 1.167 -6.486 1.00 1.00 C ATOM 1044 C ILE B 707 70.539 2.465 -6.475 1.00 1.00 C ATOM 1045 O ILE B 707 70.328 3.078 -7.518 1.00 1.00 O ATOM 1046 CB ILE B 707 70.374 -0.020 -6.350 1.00 1.00 C ATOM 1047 CG1 ILE B 707 71.140 -1.320 -6.601 1.00 1.00 C ATOM 1048 CG2 ILE B 707 69.244 0.111 -7.376 1.00 1.00 C ATOM 1049 CD1 ILE B 707 70.268 -2.511 -6.194 1.00 1.00 C ATOM 0 H ILE B 707 72.145 0.421 -4.698 1.00 1.00 H new ATOM 0 HA ILE B 707 71.876 1.093 -7.429 1.00 1.00 H new ATOM 0 HB ILE B 707 69.950 -0.031 -5.346 1.00 1.00 H new ATOM 0 HG12 ILE B 707 71.412 -1.397 -7.654 1.00 1.00 H new ATOM 0 HG13 ILE B 707 72.069 -1.324 -6.031 1.00 1.00 H new ATOM 0 HG21 ILE B 707 68.563 -0.734 -7.277 1.00 1.00 H new ATOM 0 HG22 ILE B 707 68.699 1.039 -7.201 1.00 1.00 H new ATOM 0 HG23 ILE B 707 69.665 0.122 -8.381 1.00 1.00 H new ATOM 0 HD11 ILE B 707 70.812 -3.438 -6.372 1.00 1.00 H new ATOM 0 HD12 ILE B 707 70.018 -2.434 -5.136 1.00 1.00 H new ATOM 0 HD13 ILE B 707 69.351 -2.509 -6.784 1.00 1.00 H new ATOM 1061 N GLY B 708 70.102 2.878 -5.292 1.00 1.00 N ATOM 1062 CA GLY B 708 69.333 4.110 -5.158 1.00 1.00 C ATOM 1063 C GLY B 708 70.190 5.337 -5.469 1.00 1.00 C ATOM 1064 O GLY B 708 69.735 6.275 -6.120 1.00 1.00 O ATOM 0 H GLY B 708 70.265 2.382 -4.416 1.00 1.00 H new ATOM 0 HA2 GLY B 708 68.477 4.082 -5.832 1.00 1.00 H new ATOM 0 HA3 GLY B 708 68.939 4.187 -4.145 1.00 1.00 H new ATOM 1068 N LEU B 709 71.424 5.326 -4.979 1.00 1.00 N ATOM 1069 CA LEU B 709 72.366 6.423 -5.181 1.00 1.00 C ATOM 1070 C LEU B 709 72.818 6.587 -6.636 1.00 1.00 C ATOM 1071 O LEU B 709 73.036 7.707 -7.090 1.00 1.00 O ATOM 1072 CB LEU B 709 73.586 6.241 -4.275 1.00 1.00 C ATOM 1073 CG LEU B 709 73.189 6.498 -2.813 1.00 1.00 C ATOM 1074 CD1 LEU B 709 74.319 6.042 -1.889 1.00 1.00 C ATOM 1075 CD2 LEU B 709 72.932 7.996 -2.585 1.00 1.00 C ATOM 0 H LEU B 709 71.802 4.555 -4.429 1.00 1.00 H new ATOM 0 HA LEU B 709 71.831 7.336 -4.919 1.00 1.00 H new ATOM 0 HB2 LEU B 709 73.983 5.231 -4.382 1.00 1.00 H new ATOM 0 HB3 LEU B 709 74.378 6.928 -4.573 1.00 1.00 H new ATOM 0 HG LEU B 709 72.279 5.940 -2.595 1.00 1.00 H new ATOM 0 HD11 LEU B 709 74.037 6.224 -0.852 1.00 1.00 H new ATOM 0 HD12 LEU B 709 74.500 4.977 -2.034 1.00 1.00 H new ATOM 0 HD13 LEU B 709 75.226 6.599 -2.122 1.00 1.00 H new ATOM 0 HD21 LEU B 709 72.652 8.163 -1.545 1.00 1.00 H new ATOM 0 HD22 LEU B 709 73.837 8.559 -2.812 1.00 1.00 H new ATOM 0 HD23 LEU B 709 72.124 8.330 -3.236 1.00 1.00 H new ATOM 1087 N ALA B 710 73.017 5.483 -7.352 1.00 1.00 N ATOM 1088 CA ALA B 710 73.515 5.576 -8.723 1.00 1.00 C ATOM 1089 C ALA B 710 72.679 6.534 -9.583 1.00 1.00 C ATOM 1090 O ALA B 710 73.229 7.491 -10.129 1.00 1.00 O ATOM 1091 CB ALA B 710 73.589 4.189 -9.373 1.00 1.00 C ATOM 0 H ALA B 710 72.846 4.535 -7.017 1.00 1.00 H new ATOM 0 HA ALA B 710 74.522 5.990 -8.668 1.00 1.00 H new ATOM 0 HB1 ALA B 710 73.962 4.284 -10.393 1.00 1.00 H new ATOM 0 HB2 ALA B 710 74.262 3.553 -8.798 1.00 1.00 H new ATOM 0 HB3 ALA B 710 72.595 3.742 -9.391 1.00 1.00 H new ATOM 1097 N PRO B 711 71.385 6.337 -9.711 1.00 1.00 N ATOM 1098 CA PRO B 711 70.539 7.261 -10.522 1.00 1.00 C ATOM 1099 C PRO B 711 70.705 8.718 -10.079 1.00 1.00 C ATOM 1100 O PRO B 711 70.869 9.616 -10.907 1.00 1.00 O ATOM 1101 CB PRO B 711 69.103 6.790 -10.245 1.00 1.00 C ATOM 1102 CG PRO B 711 69.219 5.376 -9.783 1.00 1.00 C ATOM 1103 CD PRO B 711 70.597 5.237 -9.132 1.00 1.00 C ATOM 0 HA PRO B 711 70.809 7.235 -11.578 1.00 1.00 H new ATOM 0 HB2 PRO B 711 68.628 7.411 -9.486 1.00 1.00 H new ATOM 0 HB3 PRO B 711 68.489 6.858 -11.143 1.00 1.00 H new ATOM 0 HG2 PRO B 711 68.429 5.135 -9.072 1.00 1.00 H new ATOM 0 HG3 PRO B 711 69.115 4.686 -10.620 1.00 1.00 H new ATOM 0 HD2 PRO B 711 70.535 5.320 -8.047 1.00 1.00 H new ATOM 0 HD3 PRO B 711 71.045 4.268 -9.352 1.00 1.00 H new ATOM 1111 N LEU B 712 70.701 8.935 -8.764 1.00 1.00 N ATOM 1112 CA LEU B 712 70.879 10.277 -8.203 1.00 1.00 C ATOM 1113 C LEU B 712 72.268 10.844 -8.511 1.00 1.00 C ATOM 1114 O LEU B 712 72.396 12.014 -8.867 1.00 1.00 O ATOM 1115 CB LEU B 712 70.663 10.238 -6.690 1.00 1.00 C ATOM 1116 CG LEU B 712 69.166 10.316 -6.382 1.00 1.00 C ATOM 1117 CD1 LEU B 712 68.432 9.148 -7.047 1.00 1.00 C ATOM 1118 CD2 LEU B 712 68.958 10.250 -4.868 1.00 1.00 C ATOM 0 H LEU B 712 70.577 8.201 -8.067 1.00 1.00 H new ATOM 0 HA LEU B 712 70.141 10.931 -8.668 1.00 1.00 H new ATOM 0 HB2 LEU B 712 71.082 9.321 -6.276 1.00 1.00 H new ATOM 0 HB3 LEU B 712 71.186 11.069 -6.217 1.00 1.00 H new ATOM 0 HG LEU B 712 68.769 11.254 -6.770 1.00 1.00 H new ATOM 0 HD11 LEU B 712 67.367 9.212 -6.822 1.00 1.00 H new ATOM 0 HD12 LEU B 712 68.578 9.193 -8.126 1.00 1.00 H new ATOM 0 HD13 LEU B 712 68.827 8.206 -6.667 1.00 1.00 H new ATOM 0 HD21 LEU B 712 67.893 10.305 -4.644 1.00 1.00 H new ATOM 0 HD22 LEU B 712 69.361 9.312 -4.486 1.00 1.00 H new ATOM 0 HD23 LEU B 712 69.472 11.086 -4.393 1.00 1.00 H new ATOM 1130 N LEU B 713 73.296 10.011 -8.385 1.00 1.00 N ATOM 1131 CA LEU B 713 74.661 10.440 -8.665 1.00 1.00 C ATOM 1132 C LEU B 713 74.804 10.812 -10.138 1.00 1.00 C ATOM 1133 O LEU B 713 75.489 11.766 -10.498 1.00 1.00 O ATOM 1134 CB LEU B 713 75.662 9.330 -8.294 1.00 1.00 C ATOM 1135 CG LEU B 713 75.726 9.172 -6.762 1.00 1.00 C ATOM 1136 CD1 LEU B 713 76.489 7.894 -6.407 1.00 1.00 C ATOM 1137 CD2 LEU B 713 76.442 10.368 -6.125 1.00 1.00 C ATOM 0 H LEU B 713 73.210 9.038 -8.092 1.00 1.00 H new ATOM 0 HA LEU B 713 74.880 11.319 -8.058 1.00 1.00 H new ATOM 0 HB2 LEU B 713 75.361 8.388 -8.753 1.00 1.00 H new ATOM 0 HB3 LEU B 713 76.650 9.574 -8.685 1.00 1.00 H new ATOM 0 HG LEU B 713 74.706 9.119 -6.380 1.00 1.00 H new ATOM 0 HD11 LEU B 713 76.532 7.785 -5.323 1.00 1.00 H new ATOM 0 HD12 LEU B 713 75.977 7.033 -6.838 1.00 1.00 H new ATOM 0 HD13 LEU B 713 77.501 7.952 -6.807 1.00 1.00 H new ATOM 0 HD21 LEU B 713 76.477 10.237 -5.043 1.00 1.00 H new ATOM 0 HD22 LEU B 713 77.458 10.434 -6.515 1.00 1.00 H new ATOM 0 HD23 LEU B 713 75.902 11.284 -6.363 1.00 1.00 H new ATOM 1149 N ILE B 714 74.174 10.038 -11.011 1.00 1.00 N ATOM 1150 CA ILE B 714 74.293 10.345 -12.429 1.00 1.00 C ATOM 1151 C ILE B 714 73.656 11.709 -12.711 1.00 1.00 C ATOM 1152 O ILE B 714 74.243 12.580 -13.353 1.00 1.00 O ATOM 1153 CB ILE B 714 73.601 9.286 -13.300 1.00 1.00 C ATOM 1154 CG1 ILE B 714 74.334 7.945 -13.163 1.00 1.00 C ATOM 1155 CG2 ILE B 714 73.639 9.738 -14.770 1.00 1.00 C ATOM 1156 CD1 ILE B 714 73.497 6.833 -13.803 1.00 1.00 C ATOM 0 H ILE B 714 73.600 9.228 -10.778 1.00 1.00 H new ATOM 0 HA ILE B 714 75.354 10.356 -12.678 1.00 1.00 H new ATOM 0 HB ILE B 714 72.567 9.167 -12.975 1.00 1.00 H new ATOM 0 HG12 ILE B 714 75.310 8.002 -13.645 1.00 1.00 H new ATOM 0 HG13 ILE B 714 74.510 7.721 -12.111 1.00 1.00 H new ATOM 0 HG21 ILE B 714 73.149 8.990 -15.393 1.00 1.00 H new ATOM 0 HG22 ILE B 714 73.120 10.691 -14.871 1.00 1.00 H new ATOM 0 HG23 ILE B 714 74.675 9.854 -15.088 1.00 1.00 H new ATOM 0 HD11 ILE B 714 74.020 5.882 -13.704 1.00 1.00 H new ATOM 0 HD12 ILE B 714 72.531 6.770 -13.302 1.00 1.00 H new ATOM 0 HD13 ILE B 714 73.344 7.055 -14.859 1.00 1.00 H new ATOM 1168 N TRP B 715 72.454 11.902 -12.171 1.00 1.00 N ATOM 1169 CA TRP B 715 71.737 13.168 -12.336 1.00 1.00 C ATOM 1170 C TRP B 715 72.522 14.317 -11.673 1.00 1.00 C ATOM 1171 O TRP B 715 72.709 15.376 -12.273 1.00 1.00 O ATOM 1172 CB TRP B 715 70.322 13.005 -11.732 1.00 1.00 C ATOM 1173 CG TRP B 715 69.580 14.305 -11.601 1.00 1.00 C ATOM 1174 CD1 TRP B 715 69.798 15.444 -12.303 1.00 1.00 C ATOM 1175 CD2 TRP B 715 68.436 14.578 -10.738 1.00 1.00 C ATOM 1176 NE1 TRP B 715 68.883 16.406 -11.889 1.00 1.00 N ATOM 1177 CE2 TRP B 715 68.018 15.911 -10.935 1.00 1.00 C ATOM 1178 CE3 TRP B 715 67.739 13.794 -9.802 1.00 1.00 C ATOM 1179 CZ2 TRP B 715 66.939 16.450 -10.231 1.00 1.00 C ATOM 1180 CZ3 TRP B 715 66.652 14.328 -9.095 1.00 1.00 C ATOM 1181 CH2 TRP B 715 66.251 15.654 -9.310 1.00 1.00 C ATOM 0 H TRP B 715 71.957 11.203 -11.618 1.00 1.00 H new ATOM 0 HA TRP B 715 71.642 13.422 -13.392 1.00 1.00 H new ATOM 0 HB2 TRP B 715 69.743 12.325 -12.358 1.00 1.00 H new ATOM 0 HB3 TRP B 715 70.405 12.541 -10.749 1.00 1.00 H new ATOM 0 HD1 TRP B 715 70.557 15.582 -13.059 1.00 1.00 H new ATOM 0 HE1 TRP B 715 68.855 17.361 -12.247 1.00 1.00 H new ATOM 0 HE3 TRP B 715 68.043 12.773 -9.626 1.00 1.00 H new ATOM 0 HZ2 TRP B 715 66.638 17.474 -10.397 1.00 1.00 H new ATOM 0 HZ3 TRP B 715 66.121 13.715 -8.382 1.00 1.00 H new ATOM 0 HH2 TRP B 715 65.412 16.060 -8.765 1.00 1.00 H new ATOM 1192 N LYS B 716 72.975 14.101 -10.442 1.00 1.00 N ATOM 1193 CA LYS B 716 73.724 15.120 -9.701 1.00 1.00 C ATOM 1194 C LYS B 716 75.015 15.519 -10.427 1.00 1.00 C ATOM 1195 O LYS B 716 75.339 16.704 -10.516 1.00 1.00 O ATOM 1196 CB LYS B 716 74.075 14.576 -8.311 1.00 1.00 C ATOM 1197 CG LYS B 716 74.390 15.725 -7.337 1.00 1.00 C ATOM 1198 CD LYS B 716 73.139 16.138 -6.526 1.00 1.00 C ATOM 1199 CE LYS B 716 72.162 16.965 -7.371 1.00 1.00 C ATOM 1200 NZ LYS B 716 71.271 17.743 -6.462 1.00 1.00 N ATOM 0 H LYS B 716 72.838 13.228 -9.932 1.00 1.00 H new ATOM 0 HA LYS B 716 73.096 16.007 -9.620 1.00 1.00 H new ATOM 0 HB2 LYS B 716 73.244 13.985 -7.926 1.00 1.00 H new ATOM 0 HB3 LYS B 716 74.934 13.909 -8.383 1.00 1.00 H new ATOM 0 HG2 LYS B 716 75.183 15.418 -6.655 1.00 1.00 H new ATOM 0 HG3 LYS B 716 74.764 16.584 -7.894 1.00 1.00 H new ATOM 0 HD2 LYS B 716 72.634 15.246 -6.156 1.00 1.00 H new ATOM 0 HD3 LYS B 716 73.445 16.716 -5.654 1.00 1.00 H new ATOM 0 HE2 LYS B 716 72.711 17.640 -8.028 1.00 1.00 H new ATOM 0 HE3 LYS B 716 71.569 16.310 -8.009 1.00 1.00 H new ATOM 0 HZ1 LYS B 716 71.041 18.657 -6.901 1.00 1.00 H new ATOM 0 HZ2 LYS B 716 70.395 17.209 -6.294 1.00 1.00 H new ATOM 0 HZ3 LYS B 716 71.756 17.906 -5.557 1.00 1.00 H new ATOM 1214 N LEU B 717 75.756 14.539 -10.938 1.00 1.00 N ATOM 1215 CA LEU B 717 76.999 14.840 -11.644 1.00 1.00 C ATOM 1216 C LEU B 717 76.715 15.663 -12.898 1.00 1.00 C ATOM 1217 O LEU B 717 77.445 16.604 -13.210 1.00 1.00 O ATOM 1218 CB LEU B 717 77.750 13.553 -12.015 1.00 1.00 C ATOM 1219 CG LEU B 717 78.689 13.081 -10.880 1.00 1.00 C ATOM 1220 CD1 LEU B 717 80.009 13.850 -10.966 1.00 1.00 C ATOM 1221 CD2 LEU B 717 78.078 13.308 -9.487 1.00 1.00 C ATOM 0 H LEU B 717 75.524 13.548 -10.879 1.00 1.00 H new ATOM 0 HA LEU B 717 77.632 15.423 -10.975 1.00 1.00 H new ATOM 0 HB2 LEU B 717 77.031 12.766 -12.241 1.00 1.00 H new ATOM 0 HB3 LEU B 717 78.333 13.722 -12.921 1.00 1.00 H new ATOM 0 HG LEU B 717 78.848 12.010 -11.010 1.00 1.00 H new ATOM 0 HD11 LEU B 717 80.674 13.521 -10.168 1.00 1.00 H new ATOM 0 HD12 LEU B 717 80.478 13.660 -11.931 1.00 1.00 H new ATOM 0 HD13 LEU B 717 79.816 14.917 -10.860 1.00 1.00 H new ATOM 0 HD21 LEU B 717 78.774 12.961 -8.723 1.00 1.00 H new ATOM 0 HD22 LEU B 717 77.883 14.371 -9.344 1.00 1.00 H new ATOM 0 HD23 LEU B 717 77.143 12.753 -9.405 1.00 1.00 H new ATOM 1233 N LEU B 718 75.664 15.297 -13.626 1.00 1.00 N ATOM 1234 CA LEU B 718 75.326 16.014 -14.849 1.00 1.00 C ATOM 1235 C LEU B 718 74.995 17.467 -14.534 1.00 1.00 C ATOM 1236 O LEU B 718 75.417 18.372 -15.256 1.00 1.00 O ATOM 1237 CB LEU B 718 74.141 15.347 -15.557 1.00 1.00 C ATOM 1238 CG LEU B 718 74.581 14.001 -16.148 1.00 1.00 C ATOM 1239 CD1 LEU B 718 73.351 13.224 -16.613 1.00 1.00 C ATOM 1240 CD2 LEU B 718 75.519 14.222 -17.342 1.00 1.00 C ATOM 0 H LEU B 718 75.042 14.522 -13.395 1.00 1.00 H new ATOM 0 HA LEU B 718 76.189 15.983 -15.514 1.00 1.00 H new ATOM 0 HB2 LEU B 718 73.323 15.196 -14.853 1.00 1.00 H new ATOM 0 HB3 LEU B 718 73.765 15.997 -16.348 1.00 1.00 H new ATOM 0 HG LEU B 718 75.110 13.437 -15.380 1.00 1.00 H new ATOM 0 HD11 LEU B 718 73.662 12.268 -17.033 1.00 1.00 H new ATOM 0 HD12 LEU B 718 72.689 13.050 -15.765 1.00 1.00 H new ATOM 0 HD13 LEU B 718 72.823 13.800 -17.373 1.00 1.00 H new ATOM 0 HD21 LEU B 718 75.822 13.258 -17.750 1.00 1.00 H new ATOM 0 HD22 LEU B 718 75.000 14.794 -18.111 1.00 1.00 H new ATOM 0 HD23 LEU B 718 76.402 14.771 -17.014 1.00 1.00 H new ATOM 1252 N ILE B 719 74.254 17.701 -13.452 1.00 1.00 N ATOM 1253 CA ILE B 719 73.910 19.068 -13.080 1.00 1.00 C ATOM 1254 C ILE B 719 75.170 19.856 -12.746 1.00 1.00 C ATOM 1255 O ILE B 719 75.322 21.003 -13.166 1.00 1.00 O ATOM 1256 CB ILE B 719 72.989 19.075 -11.862 1.00 1.00 C ATOM 1257 CG1 ILE B 719 71.629 18.498 -12.247 1.00 1.00 C ATOM 1258 CG2 ILE B 719 72.814 20.514 -11.374 1.00 1.00 C ATOM 1259 CD1 ILE B 719 70.810 18.250 -10.982 1.00 1.00 C ATOM 0 H ILE B 719 73.888 16.979 -12.831 1.00 1.00 H new ATOM 0 HA ILE B 719 73.399 19.529 -13.925 1.00 1.00 H new ATOM 0 HB ILE B 719 73.426 18.469 -11.068 1.00 1.00 H new ATOM 0 HG12 ILE B 719 71.102 19.188 -12.906 1.00 1.00 H new ATOM 0 HG13 ILE B 719 71.759 17.567 -12.798 1.00 1.00 H new ATOM 0 HG21 ILE B 719 72.157 20.526 -10.504 1.00 1.00 H new ATOM 0 HG22 ILE B 719 73.785 20.926 -11.101 1.00 1.00 H new ATOM 0 HG23 ILE B 719 72.375 21.117 -12.169 1.00 1.00 H new ATOM 0 HD11 ILE B 719 69.838 17.838 -11.253 1.00 1.00 H new ATOM 0 HD12 ILE B 719 71.337 17.544 -10.340 1.00 1.00 H new ATOM 0 HD13 ILE B 719 70.670 19.191 -10.449 1.00 1.00 H new ATOM 1271 N THR B 720 76.063 19.244 -11.969 1.00 1.00 N ATOM 1272 CA THR B 720 77.297 19.919 -11.573 1.00 1.00 C ATOM 1273 C THR B 720 78.129 20.293 -12.797 1.00 1.00 C ATOM 1274 O THR B 720 78.623 21.417 -12.889 1.00 1.00 O ATOM 1275 CB THR B 720 78.116 19.015 -10.649 1.00 1.00 C ATOM 1276 OG1 THR B 720 77.276 18.516 -9.618 1.00 1.00 O ATOM 1277 CG2 THR B 720 79.270 19.807 -10.032 1.00 1.00 C ATOM 0 H THR B 720 75.958 18.297 -11.606 1.00 1.00 H new ATOM 0 HA THR B 720 77.030 20.833 -11.042 1.00 1.00 H new ATOM 0 HB THR B 720 78.524 18.185 -11.225 1.00 1.00 H new ATOM 0 HG1 THR B 720 76.733 17.778 -9.967 1.00 1.00 H new ATOM 0 HG21 THR B 720 79.848 19.156 -9.376 1.00 1.00 H new ATOM 0 HG22 THR B 720 79.914 20.188 -10.824 1.00 1.00 H new ATOM 0 HG23 THR B 720 78.871 20.642 -9.456 1.00 1.00 H new ATOM 1285 N ILE B 721 78.310 19.361 -13.725 1.00 1.00 N ATOM 1286 CA ILE B 721 79.109 19.634 -14.915 1.00 1.00 C ATOM 1287 C ILE B 721 78.487 20.747 -15.746 1.00 1.00 C ATOM 1288 O ILE B 721 79.183 21.646 -16.223 1.00 1.00 O ATOM 1289 CB ILE B 721 79.221 18.365 -15.758 1.00 1.00 C ATOM 1290 CG1 ILE B 721 80.062 17.333 -15.003 1.00 1.00 C ATOM 1291 CG2 ILE B 721 79.891 18.697 -17.095 1.00 1.00 C ATOM 1292 CD1 ILE B 721 79.946 15.968 -15.685 1.00 1.00 C ATOM 0 H ILE B 721 77.920 18.420 -13.679 1.00 1.00 H new ATOM 0 HA ILE B 721 80.101 19.956 -14.598 1.00 1.00 H new ATOM 0 HB ILE B 721 78.227 17.959 -15.946 1.00 1.00 H new ATOM 0 HG12 ILE B 721 81.105 17.649 -14.977 1.00 1.00 H new ATOM 0 HG13 ILE B 721 79.725 17.263 -13.969 1.00 1.00 H new ATOM 0 HG21 ILE B 721 79.971 17.792 -17.697 1.00 1.00 H new ATOM 0 HG22 ILE B 721 79.292 19.435 -17.628 1.00 1.00 H new ATOM 0 HG23 ILE B 721 80.887 19.101 -16.913 1.00 1.00 H new ATOM 0 HD11 ILE B 721 80.547 15.238 -15.143 1.00 1.00 H new ATOM 0 HD12 ILE B 721 78.903 15.650 -15.687 1.00 1.00 H new ATOM 0 HD13 ILE B 721 80.305 16.042 -16.712 1.00 1.00 H new ATOM 1304 N HIS B 722 77.174 20.689 -15.911 1.00 1.00 N ATOM 1305 CA HIS B 722 76.488 21.714 -16.681 1.00 1.00 C ATOM 1306 C HIS B 722 76.736 23.081 -16.046 1.00 1.00 C ATOM 1307 O HIS B 722 76.989 24.060 -16.740 1.00 1.00 O ATOM 1308 CB HIS B 722 74.989 21.430 -16.732 1.00 1.00 C ATOM 1309 CG HIS B 722 74.681 20.626 -17.964 1.00 1.00 C ATOM 1310 ND1 HIS B 722 74.812 19.248 -17.997 1.00 1.00 N ATOM 1311 CD2 HIS B 722 74.253 20.992 -19.215 1.00 1.00 C ATOM 1312 CE1 HIS B 722 74.469 18.836 -19.229 1.00 1.00 C ATOM 1313 NE2 HIS B 722 74.119 19.860 -20.014 1.00 1.00 N ATOM 0 H HIS B 722 76.573 19.958 -15.530 1.00 1.00 H new ATOM 0 HA HIS B 722 76.876 21.710 -17.699 1.00 1.00 H new ATOM 0 HB2 HIS B 722 74.679 20.885 -15.840 1.00 1.00 H new ATOM 0 HB3 HIS B 722 74.430 22.365 -16.744 1.00 1.00 H new ATOM 0 HD1 HIS B 722 75.114 18.653 -17.225 1.00 1.00 H new ATOM 0 HD2 HIS B 722 74.051 22.004 -19.532 1.00 1.00 H new ATOM 0 HE1 HIS B 722 74.475 17.804 -19.546 1.00 1.00 H new