USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 830 MET CE :methyl -155:sc= -0.151 (180deg=-0.764) USER MOD Set 1.2: A 879 TYR OH : rot 40:sc= 0.3 USER MOD Set 2.1: A 867 TYR OH : rot 150:sc= 0 USER MOD Set 2.2: A 872 SER OG : rot 110:sc= -1.31! USER MOD Single : A 832 SER OG : rot 180:sc= 0 USER MOD Single : A 834 LYS NZ :NH3+ -159:sc= 0.00456 (180deg=0) USER MOD Single : A 840 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 841 ASN : amide:sc= 1.3 K(o=1.3,f=-2.4e-05) USER MOD Single : A 842 TYR OH : rot 180:sc= 0 USER MOD Single : A 844 THR OG1 : rot 180:sc= 0.0186 USER MOD Single : A 845 MET CE :methyl -158:sc= -0.0297 (180deg=-0.311) USER MOD Single : A 856 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 859 TYR OH : rot 180:sc= 0 USER MOD Single : A 860 CYS SG : rot -47:sc= 1.09 USER MOD Single : A 864 MET CE :methyl -142:sc= -0.543 (180deg=-2.01) USER MOD Single : A 868 THR OG1 : rot 62:sc= 1.14 USER MOD Single : A 880 MET CE :methyl 157:sc= -0.103 (180deg=-0.63) USER MOD Single : A 881 SER OG : rot 64:sc= 0.143 USER MOD Single : A 883 SER OG : rot 159:sc= 0.21 USER MOD Single : A 884 THR OG1 : rot 78:sc= 1.26 USER MOD Single : A 887 TYR OH : rot 180:sc= 0 USER MOD Single : B1655 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B1657 TYR OH : rot 180:sc= 0 USER MOD Single : B1660 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1662 LYS NZ :NH3+ -161:sc= -0.0743 (180deg=-0.385) USER MOD Single : B1663 LYS NZ :NH3+ 132:sc= -0.0373 (180deg=-0.302) USER MOD Single : B1665 LYS NZ :NH3+ 174:sc= 0.31 (180deg=0.297) USER MOD Single : B1667 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 94 N VAL A 829 -6.950 -5.336 -6.569 1.00 10.00 N ATOM 95 CA VAL A 829 -5.651 -4.715 -6.318 1.00 10.00 C ATOM 96 C VAL A 829 -4.625 -5.774 -5.921 1.00 10.00 C ATOM 97 O VAL A 829 -3.491 -5.740 -6.382 1.00 10.00 O ATOM 98 CB VAL A 829 -5.735 -3.629 -5.219 1.00 10.00 C ATOM 99 CG1 VAL A 829 -4.386 -3.415 -4.541 1.00 10.00 C ATOM 100 CG2 VAL A 829 -6.229 -2.321 -5.813 1.00 10.00 C ATOM 0 HA VAL A 829 -5.337 -4.232 -7.243 1.00 10.00 H new ATOM 0 HB VAL A 829 -6.441 -3.974 -4.464 1.00 10.00 H new ATOM 0 HG11 VAL A 829 -4.482 -2.646 -3.775 1.00 10.00 H new ATOM 0 HG12 VAL A 829 -4.058 -4.347 -4.080 1.00 10.00 H new ATOM 0 HG13 VAL A 829 -3.652 -3.099 -5.282 1.00 10.00 H new ATOM 0 HG21 VAL A 829 -6.284 -1.564 -5.031 1.00 10.00 H new ATOM 0 HG22 VAL A 829 -5.539 -1.991 -6.590 1.00 10.00 H new ATOM 0 HG23 VAL A 829 -7.219 -2.469 -6.246 1.00 10.00 H new ATOM 110 N MET A 830 -5.040 -6.704 -5.063 1.00 10.00 N ATOM 111 CA MET A 830 -4.173 -7.794 -4.619 1.00 10.00 C ATOM 112 C MET A 830 -3.688 -8.629 -5.801 1.00 10.00 C ATOM 113 O MET A 830 -2.496 -8.916 -5.917 1.00 10.00 O ATOM 114 CB MET A 830 -4.911 -8.705 -3.625 1.00 10.00 C ATOM 115 CG MET A 830 -4.819 -8.253 -2.179 1.00 10.00 C ATOM 116 SD MET A 830 -3.200 -8.577 -1.449 1.00 10.00 S ATOM 117 CE MET A 830 -3.175 -10.373 -1.446 1.00 10.00 C ATOM 0 H MET A 830 -5.977 -6.724 -4.659 1.00 10.00 H new ATOM 0 HA MET A 830 -3.311 -7.344 -4.127 1.00 10.00 H new ATOM 0 HB2 MET A 830 -5.962 -8.759 -3.911 1.00 10.00 H new ATOM 0 HB3 MET A 830 -4.506 -9.714 -3.705 1.00 10.00 H new ATOM 0 HG2 MET A 830 -5.031 -7.185 -2.122 1.00 10.00 H new ATOM 0 HG3 MET A 830 -5.585 -8.762 -1.594 1.00 10.00 H new ATOM 0 HE1 MET A 830 -2.500 -10.726 -0.666 1.00 10.00 H new ATOM 0 HE2 MET A 830 -4.180 -10.751 -1.255 1.00 10.00 H new ATOM 0 HE3 MET A 830 -2.830 -10.734 -2.415 1.00 10.00 H new ATOM 127 N ALA A 831 -4.621 -9.021 -6.669 1.00 10.00 N ATOM 128 CA ALA A 831 -4.294 -9.825 -7.848 1.00 10.00 C ATOM 129 C ALA A 831 -3.416 -9.042 -8.813 1.00 10.00 C ATOM 130 O ALA A 831 -2.449 -9.574 -9.355 1.00 10.00 O ATOM 131 CB ALA A 831 -5.562 -10.286 -8.551 1.00 10.00 C ATOM 0 H ALA A 831 -5.611 -8.794 -6.578 1.00 10.00 H new ATOM 0 HA ALA A 831 -3.741 -10.702 -7.512 1.00 10.00 H new ATOM 0 HB1 ALA A 831 -5.298 -10.882 -9.425 1.00 10.00 H new ATOM 0 HB2 ALA A 831 -6.158 -10.890 -7.867 1.00 10.00 H new ATOM 0 HB3 ALA A 831 -6.140 -9.417 -8.866 1.00 10.00 H new ATOM 137 N SER A 832 -3.771 -7.778 -9.034 1.00 10.00 N ATOM 138 CA SER A 832 -3.000 -6.908 -9.913 1.00 10.00 C ATOM 139 C SER A 832 -1.589 -6.735 -9.361 1.00 10.00 C ATOM 140 O SER A 832 -0.613 -6.741 -10.112 1.00 10.00 O ATOM 141 CB SER A 832 -3.691 -5.552 -10.052 1.00 10.00 C ATOM 142 OG SER A 832 -4.936 -5.673 -10.714 1.00 10.00 O ATOM 0 H SER A 832 -4.589 -7.335 -8.615 1.00 10.00 H new ATOM 0 HA SER A 832 -2.937 -7.364 -10.901 1.00 10.00 H new ATOM 0 HB2 SER A 832 -3.843 -5.116 -9.064 1.00 10.00 H new ATOM 0 HB3 SER A 832 -3.047 -4.869 -10.606 1.00 10.00 H new ATOM 0 HG SER A 832 -5.355 -4.790 -10.787 1.00 10.00 H new ATOM 148 N PHE A 833 -1.500 -6.570 -8.039 1.00 10.00 N ATOM 149 CA PHE A 833 -0.221 -6.445 -7.354 1.00 10.00 C ATOM 150 C PHE A 833 0.572 -7.720 -7.559 1.00 10.00 C ATOM 151 O PHE A 833 1.706 -7.683 -8.021 1.00 10.00 O ATOM 152 CB PHE A 833 -0.436 -6.226 -5.854 1.00 10.00 C ATOM 153 CG PHE A 833 0.165 -4.957 -5.321 1.00 10.00 C ATOM 154 CD1 PHE A 833 1.540 -4.784 -5.273 1.00 10.00 C ATOM 155 CD2 PHE A 833 -0.650 -3.940 -4.857 1.00 10.00 C ATOM 156 CE1 PHE A 833 2.087 -3.617 -4.772 1.00 10.00 C ATOM 157 CE2 PHE A 833 -0.111 -2.772 -4.357 1.00 10.00 C ATOM 158 CZ PHE A 833 1.259 -2.609 -4.314 1.00 10.00 C ATOM 0 H PHE A 833 -2.310 -6.520 -7.421 1.00 10.00 H new ATOM 0 HA PHE A 833 0.319 -5.590 -7.762 1.00 10.00 H new ATOM 0 HB2 PHE A 833 -1.507 -6.221 -5.650 1.00 10.00 H new ATOM 0 HB3 PHE A 833 -0.012 -7.071 -5.311 1.00 10.00 H new ATOM 0 HD1 PHE A 833 2.190 -5.569 -5.631 1.00 10.00 H new ATOM 0 HD2 PHE A 833 -1.723 -4.062 -4.886 1.00 10.00 H new ATOM 0 HE1 PHE A 833 3.159 -3.493 -4.739 1.00 10.00 H new ATOM 0 HE2 PHE A 833 -0.760 -1.986 -4.000 1.00 10.00 H new ATOM 0 HZ PHE A 833 1.683 -1.696 -3.923 1.00 10.00 H new ATOM 168 N LYS A 834 -0.039 -8.847 -7.181 1.00 10.00 N ATOM 169 CA LYS A 834 0.577 -10.159 -7.345 1.00 10.00 C ATOM 170 C LYS A 834 1.192 -10.284 -8.724 1.00 10.00 C ATOM 171 O LYS A 834 2.320 -10.744 -8.867 1.00 10.00 O ATOM 172 CB LYS A 834 -0.456 -11.271 -7.138 1.00 10.00 C ATOM 173 CG LYS A 834 0.112 -12.484 -6.419 1.00 10.00 C ATOM 174 CD LYS A 834 -0.694 -13.740 -6.697 1.00 10.00 C ATOM 175 CE LYS A 834 -0.148 -14.919 -5.909 1.00 10.00 C ATOM 176 NZ LYS A 834 -0.708 -16.217 -6.373 1.00 10.00 N ATOM 0 H LYS A 834 -0.966 -8.872 -6.757 1.00 10.00 H new ATOM 0 HA LYS A 834 1.360 -10.262 -6.594 1.00 10.00 H new ATOM 0 HB2 LYS A 834 -1.296 -10.877 -6.566 1.00 10.00 H new ATOM 0 HB3 LYS A 834 -0.848 -11.580 -8.107 1.00 10.00 H new ATOM 0 HG2 LYS A 834 1.145 -12.640 -6.731 1.00 10.00 H new ATOM 0 HG3 LYS A 834 0.129 -12.294 -5.346 1.00 10.00 H new ATOM 0 HD2 LYS A 834 -1.738 -13.573 -6.433 1.00 10.00 H new ATOM 0 HD3 LYS A 834 -0.667 -13.966 -7.763 1.00 10.00 H new ATOM 0 HE2 LYS A 834 0.938 -14.942 -5.999 1.00 10.00 H new ATOM 0 HE3 LYS A 834 -0.377 -14.784 -4.852 1.00 10.00 H new ATOM 0 HZ1 LYS A 834 -0.605 -16.928 -5.621 1.00 10.00 H new ATOM 0 HZ2 LYS A 834 -1.715 -16.098 -6.602 1.00 10.00 H new ATOM 0 HZ3 LYS A 834 -0.195 -16.533 -7.221 1.00 10.00 H new ATOM 190 N ILE A 835 0.450 -9.859 -9.754 1.00 10.00 N ATOM 191 CA ILE A 835 0.938 -9.891 -11.125 1.00 10.00 C ATOM 192 C ILE A 835 2.165 -8.987 -11.276 1.00 10.00 C ATOM 193 O ILE A 835 3.164 -9.376 -11.883 1.00 10.00 O ATOM 194 CB ILE A 835 -0.175 -9.448 -12.116 1.00 10.00 C ATOM 195 CG1 ILE A 835 -1.163 -10.595 -12.343 1.00 10.00 C ATOM 196 CG2 ILE A 835 0.424 -8.996 -13.445 1.00 10.00 C ATOM 197 CD1 ILE A 835 -2.439 -10.178 -13.052 1.00 10.00 C ATOM 0 H ILE A 835 -0.495 -9.488 -9.656 1.00 10.00 H new ATOM 0 HA ILE A 835 1.224 -10.916 -11.360 1.00 10.00 H new ATOM 0 HB ILE A 835 -0.706 -8.602 -11.679 1.00 10.00 H new ATOM 0 HG12 ILE A 835 -0.672 -11.374 -12.927 1.00 10.00 H new ATOM 0 HG13 ILE A 835 -1.422 -11.035 -11.380 1.00 10.00 H new ATOM 0 HG21 ILE A 835 -0.376 -8.692 -14.120 1.00 10.00 H new ATOM 0 HG22 ILE A 835 1.095 -8.154 -13.274 1.00 10.00 H new ATOM 0 HG23 ILE A 835 0.982 -9.819 -13.892 1.00 10.00 H new ATOM 0 HD11 ILE A 835 -3.087 -11.046 -13.176 1.00 10.00 H new ATOM 0 HD12 ILE A 835 -2.954 -9.422 -12.459 1.00 10.00 H new ATOM 0 HD13 ILE A 835 -2.193 -9.766 -14.031 1.00 10.00 H new ATOM 209 N LEU A 836 2.075 -7.785 -10.702 1.00 10.00 N ATOM 210 CA LEU A 836 3.172 -6.813 -10.728 1.00 10.00 C ATOM 211 C LEU A 836 4.419 -7.396 -10.081 1.00 10.00 C ATOM 212 O LEU A 836 5.535 -7.207 -10.566 1.00 10.00 O ATOM 213 CB LEU A 836 2.770 -5.541 -9.979 1.00 10.00 C ATOM 214 CG LEU A 836 2.804 -4.262 -10.808 1.00 10.00 C ATOM 215 CD1 LEU A 836 1.647 -4.254 -11.793 1.00 10.00 C ATOM 216 CD2 LEU A 836 2.750 -3.037 -9.905 1.00 10.00 C ATOM 0 H LEU A 836 1.244 -7.459 -10.208 1.00 10.00 H new ATOM 0 HA LEU A 836 3.386 -6.573 -11.770 1.00 10.00 H new ATOM 0 HB2 LEU A 836 1.762 -5.673 -9.585 1.00 10.00 H new ATOM 0 HB3 LEU A 836 3.433 -5.418 -9.123 1.00 10.00 H new ATOM 0 HG LEU A 836 3.740 -4.229 -11.366 1.00 10.00 H new ATOM 0 HD11 LEU A 836 1.677 -3.337 -12.382 1.00 10.00 H new ATOM 0 HD12 LEU A 836 1.728 -5.115 -12.457 1.00 10.00 H new ATOM 0 HD13 LEU A 836 0.705 -4.304 -11.248 1.00 10.00 H new ATOM 0 HD21 LEU A 836 2.775 -2.134 -10.515 1.00 10.00 H new ATOM 0 HD22 LEU A 836 1.829 -3.055 -9.322 1.00 10.00 H new ATOM 0 HD23 LEU A 836 3.607 -3.044 -9.231 1.00 10.00 H new ATOM 228 N ALA A 837 4.207 -8.107 -8.979 1.00 10.00 N ATOM 229 CA ALA A 837 5.290 -8.735 -8.240 1.00 10.00 C ATOM 230 C ALA A 837 5.816 -9.954 -8.988 1.00 10.00 C ATOM 231 O ALA A 837 6.968 -10.347 -8.816 1.00 10.00 O ATOM 232 CB ALA A 837 4.810 -9.132 -6.848 1.00 10.00 C ATOM 0 H ALA A 837 3.283 -8.262 -8.576 1.00 10.00 H new ATOM 0 HA ALA A 837 6.105 -8.018 -8.141 1.00 10.00 H new ATOM 0 HB1 ALA A 837 5.628 -9.602 -6.301 1.00 10.00 H new ATOM 0 HB2 ALA A 837 4.477 -8.244 -6.311 1.00 10.00 H new ATOM 0 HB3 ALA A 837 3.981 -9.835 -6.936 1.00 10.00 H new ATOM 238 N GLY A 838 4.964 -10.540 -9.827 1.00 10.00 N ATOM 239 CA GLY A 838 5.353 -11.706 -10.586 1.00 10.00 C ATOM 240 C GLY A 838 5.033 -12.994 -9.856 1.00 10.00 C ATOM 241 O GLY A 838 5.927 -13.792 -9.574 1.00 10.00 O ATOM 0 H GLY A 838 4.009 -10.223 -9.991 1.00 10.00 H new ATOM 0 HA2 GLY A 838 4.842 -11.699 -11.549 1.00 10.00 H new ATOM 0 HA3 GLY A 838 6.422 -11.663 -10.793 1.00 10.00 H new ATOM 245 N ASP A 839 3.754 -13.174 -9.530 1.00 10.00 N ATOM 246 CA ASP A 839 3.279 -14.366 -8.811 1.00 10.00 C ATOM 247 C ASP A 839 3.986 -14.539 -7.462 1.00 10.00 C ATOM 248 O ASP A 839 4.142 -15.652 -6.960 1.00 10.00 O ATOM 249 CB ASP A 839 3.481 -15.622 -9.684 1.00 10.00 C ATOM 250 CG ASP A 839 2.626 -16.791 -9.232 1.00 10.00 C ATOM 251 OD1 ASP A 839 1.428 -16.578 -8.936 1.00 10.00 O ATOM 252 OD2 ASP A 839 3.139 -17.934 -9.206 1.00 10.00 O ATOM 0 H ASP A 839 3.018 -12.504 -9.753 1.00 10.00 H new ATOM 0 HA ASP A 839 2.217 -14.231 -8.608 1.00 10.00 H new ATOM 0 HB2 ASP A 839 3.243 -15.382 -10.720 1.00 10.00 H new ATOM 0 HB3 ASP A 839 4.531 -15.913 -9.658 1.00 10.00 H new ATOM 257 N LYS A 840 4.386 -13.424 -6.858 1.00 10.00 N ATOM 258 CA LYS A 840 5.086 -13.460 -5.574 1.00 10.00 C ATOM 259 C LYS A 840 4.298 -12.739 -4.498 1.00 10.00 C ATOM 260 O LYS A 840 3.639 -11.737 -4.767 1.00 10.00 O ATOM 261 CB LYS A 840 6.468 -12.814 -5.703 1.00 10.00 C ATOM 262 CG LYS A 840 7.364 -13.480 -6.732 1.00 10.00 C ATOM 263 CD LYS A 840 8.461 -12.538 -7.196 1.00 10.00 C ATOM 264 CE LYS A 840 9.081 -12.996 -8.503 1.00 10.00 C ATOM 265 NZ LYS A 840 10.167 -12.078 -8.935 1.00 10.00 N ATOM 0 H LYS A 840 4.239 -12.487 -7.233 1.00 10.00 H new ATOM 0 HA LYS A 840 5.194 -14.506 -5.288 1.00 10.00 H new ATOM 0 HB2 LYS A 840 6.344 -11.764 -5.968 1.00 10.00 H new ATOM 0 HB3 LYS A 840 6.963 -12.841 -4.732 1.00 10.00 H new ATOM 0 HG2 LYS A 840 7.809 -14.378 -6.304 1.00 10.00 H new ATOM 0 HG3 LYS A 840 6.767 -13.797 -7.587 1.00 10.00 H new ATOM 0 HD2 LYS A 840 8.051 -11.536 -7.320 1.00 10.00 H new ATOM 0 HD3 LYS A 840 9.234 -12.474 -6.430 1.00 10.00 H new ATOM 0 HE2 LYS A 840 9.479 -14.004 -8.386 1.00 10.00 H new ATOM 0 HE3 LYS A 840 8.313 -13.044 -9.275 1.00 10.00 H new ATOM 0 HZ1 LYS A 840 10.572 -12.417 -9.831 1.00 10.00 H new ATOM 0 HZ2 LYS A 840 9.780 -11.122 -9.069 1.00 10.00 H new ATOM 0 HZ3 LYS A 840 10.910 -12.052 -8.207 1.00 10.00 H new ATOM 279 N ASN A 841 4.371 -13.248 -3.273 1.00 10.00 N ATOM 280 CA ASN A 841 3.678 -12.632 -2.144 1.00 10.00 C ATOM 281 C ASN A 841 4.485 -11.458 -1.611 1.00 10.00 C ATOM 282 O ASN A 841 4.021 -10.684 -0.778 1.00 10.00 O ATOM 283 CB ASN A 841 3.449 -13.650 -1.030 1.00 10.00 C ATOM 284 CG ASN A 841 2.058 -13.550 -0.430 1.00 10.00 C ATOM 285 OD1 ASN A 841 1.097 -14.083 -0.982 1.00 10.00 O ATOM 286 ND2 ASN A 841 1.934 -12.864 0.696 1.00 10.00 N ATOM 0 H ASN A 841 4.903 -14.085 -3.035 1.00 10.00 H new ATOM 0 HA ASN A 841 2.710 -12.273 -2.492 1.00 10.00 H new ATOM 0 HB2 ASN A 841 3.600 -14.655 -1.424 1.00 10.00 H new ATOM 0 HB3 ASN A 841 4.191 -13.500 -0.246 1.00 10.00 H new ATOM 0 HD21 ASN A 841 1.018 -12.764 1.134 1.00 10.00 H new ATOM 0 HD22 ASN A 841 2.754 -12.436 1.125 1.00 10.00 H new ATOM 293 N TYR A 842 5.712 -11.347 -2.105 1.00 10.00 N ATOM 294 CA TYR A 842 6.612 -10.274 -1.713 1.00 10.00 C ATOM 295 C TYR A 842 7.118 -9.535 -2.946 1.00 10.00 C ATOM 296 O TYR A 842 7.487 -10.155 -3.944 1.00 10.00 O ATOM 297 CB TYR A 842 7.802 -10.816 -0.901 1.00 10.00 C ATOM 298 CG TYR A 842 7.862 -12.327 -0.794 1.00 10.00 C ATOM 299 CD1 TYR A 842 8.683 -13.068 -1.634 1.00 10.00 C ATOM 300 CD2 TYR A 842 7.110 -13.012 0.155 1.00 10.00 C ATOM 301 CE1 TYR A 842 8.753 -14.445 -1.533 1.00 10.00 C ATOM 302 CE2 TYR A 842 7.173 -14.388 0.259 1.00 10.00 C ATOM 303 CZ TYR A 842 7.998 -15.100 -0.586 1.00 10.00 C ATOM 304 OH TYR A 842 8.068 -16.469 -0.483 1.00 10.00 O ATOM 0 H TYR A 842 6.108 -11.996 -2.785 1.00 10.00 H new ATOM 0 HA TYR A 842 6.055 -9.581 -1.082 1.00 10.00 H new ATOM 0 HB2 TYR A 842 8.726 -10.461 -1.356 1.00 10.00 H new ATOM 0 HB3 TYR A 842 7.760 -10.396 0.104 1.00 10.00 H new ATOM 0 HD1 TYR A 842 9.277 -12.560 -2.379 1.00 10.00 H new ATOM 0 HD2 TYR A 842 6.466 -12.458 0.822 1.00 10.00 H new ATOM 0 HE1 TYR A 842 9.398 -15.005 -2.194 1.00 10.00 H new ATOM 0 HE2 TYR A 842 6.579 -14.904 0.999 1.00 10.00 H new ATOM 0 HH TYR A 842 7.475 -16.774 0.235 1.00 10.00 H new ATOM 314 N ILE A 843 7.126 -8.210 -2.877 1.00 10.00 N ATOM 315 CA ILE A 843 7.589 -7.390 -3.987 1.00 10.00 C ATOM 316 C ILE A 843 8.837 -6.603 -3.592 1.00 10.00 C ATOM 317 O ILE A 843 9.055 -6.322 -2.411 1.00 10.00 O ATOM 318 CB ILE A 843 6.489 -6.420 -4.477 1.00 10.00 C ATOM 319 CG1 ILE A 843 6.904 -5.771 -5.801 1.00 10.00 C ATOM 320 CG2 ILE A 843 6.202 -5.357 -3.419 1.00 10.00 C ATOM 321 CD1 ILE A 843 5.809 -4.951 -6.449 1.00 10.00 C ATOM 0 H ILE A 843 6.816 -7.680 -2.062 1.00 10.00 H new ATOM 0 HA ILE A 843 7.836 -8.064 -4.807 1.00 10.00 H new ATOM 0 HB ILE A 843 5.574 -6.988 -4.645 1.00 10.00 H new ATOM 0 HG12 ILE A 843 7.769 -5.131 -5.626 1.00 10.00 H new ATOM 0 HG13 ILE A 843 7.220 -6.551 -6.494 1.00 10.00 H new ATOM 0 HG21 ILE A 843 5.425 -4.683 -3.781 1.00 10.00 H new ATOM 0 HG22 ILE A 843 5.865 -5.839 -2.501 1.00 10.00 H new ATOM 0 HG23 ILE A 843 7.110 -4.789 -3.218 1.00 10.00 H new ATOM 0 HD11 ILE A 843 6.178 -4.524 -7.381 1.00 10.00 H new ATOM 0 HD12 ILE A 843 4.951 -5.590 -6.657 1.00 10.00 H new ATOM 0 HD13 ILE A 843 5.509 -4.148 -5.776 1.00 10.00 H new ATOM 333 N THR A 844 9.650 -6.250 -4.580 1.00 10.00 N ATOM 334 CA THR A 844 10.879 -5.504 -4.338 1.00 10.00 C ATOM 335 C THR A 844 10.556 -4.079 -3.916 1.00 10.00 C ATOM 336 O THR A 844 9.664 -3.450 -4.496 1.00 10.00 O ATOM 337 CB THR A 844 11.769 -5.499 -5.593 1.00 10.00 C ATOM 338 OG1 THR A 844 11.209 -6.347 -6.604 1.00 10.00 O ATOM 339 CG2 THR A 844 13.174 -5.978 -5.259 1.00 10.00 C ATOM 0 H THR A 844 9.479 -6.470 -5.561 1.00 10.00 H new ATOM 0 HA THR A 844 11.425 -5.994 -3.532 1.00 10.00 H new ATOM 0 HB THR A 844 11.820 -4.475 -5.964 1.00 10.00 H new ATOM 0 HG1 THR A 844 11.784 -6.334 -7.398 1.00 10.00 H new ATOM 0 HG21 THR A 844 13.786 -5.967 -6.161 1.00 10.00 H new ATOM 0 HG22 THR A 844 13.615 -5.318 -4.512 1.00 10.00 H new ATOM 0 HG23 THR A 844 13.128 -6.993 -4.864 1.00 10.00 H new ATOM 347 N MET A 845 11.285 -3.571 -2.916 1.00 10.00 N ATOM 348 CA MET A 845 11.045 -2.228 -2.392 1.00 10.00 C ATOM 349 C MET A 845 11.225 -1.161 -3.472 1.00 10.00 C ATOM 350 O MET A 845 10.434 -0.216 -3.561 1.00 10.00 O ATOM 351 CB MET A 845 11.955 -1.957 -1.184 1.00 10.00 C ATOM 352 CG MET A 845 13.413 -1.682 -1.526 1.00 10.00 C ATOM 353 SD MET A 845 14.402 -1.291 -0.063 1.00 10.00 S ATOM 354 CE MET A 845 14.927 -2.930 0.442 1.00 10.00 C ATOM 0 H MET A 845 12.045 -4.072 -2.456 1.00 10.00 H new ATOM 0 HA MET A 845 10.008 -2.175 -2.061 1.00 10.00 H new ATOM 0 HB2 MET A 845 11.559 -1.103 -0.634 1.00 10.00 H new ATOM 0 HB3 MET A 845 11.910 -2.816 -0.514 1.00 10.00 H new ATOM 0 HG2 MET A 845 13.837 -2.553 -2.026 1.00 10.00 H new ATOM 0 HG3 MET A 845 13.468 -0.852 -2.231 1.00 10.00 H new ATOM 0 HE1 MET A 845 15.196 -2.916 1.498 1.00 10.00 H new ATOM 0 HE2 MET A 845 14.113 -3.638 0.284 1.00 10.00 H new ATOM 0 HE3 MET A 845 15.791 -3.233 -0.149 1.00 10.00 H new ATOM 364 N ASP A 846 12.244 -1.336 -4.315 1.00 10.00 N ATOM 365 CA ASP A 846 12.529 -0.393 -5.394 1.00 10.00 C ATOM 366 C ASP A 846 11.522 -0.542 -6.528 1.00 10.00 C ATOM 367 O ASP A 846 11.154 0.440 -7.166 1.00 10.00 O ATOM 368 CB ASP A 846 13.947 -0.608 -5.928 1.00 10.00 C ATOM 369 CG ASP A 846 14.403 0.508 -6.849 1.00 10.00 C ATOM 370 OD1 ASP A 846 14.318 0.336 -8.082 1.00 10.00 O ATOM 371 OD2 ASP A 846 14.848 1.558 -6.337 1.00 10.00 O ATOM 0 H ASP A 846 12.887 -2.126 -4.269 1.00 10.00 H new ATOM 0 HA ASP A 846 12.448 0.616 -4.989 1.00 10.00 H new ATOM 0 HB2 ASP A 846 14.638 -0.686 -5.089 1.00 10.00 H new ATOM 0 HB3 ASP A 846 13.989 -1.556 -6.465 1.00 10.00 H new ATOM 376 N GLU A 847 11.087 -1.777 -6.779 1.00 10.00 N ATOM 377 CA GLU A 847 10.119 -2.049 -7.840 1.00 10.00 C ATOM 378 C GLU A 847 8.817 -1.299 -7.606 1.00 10.00 C ATOM 379 O GLU A 847 8.336 -0.605 -8.499 1.00 10.00 O ATOM 380 CB GLU A 847 9.824 -3.543 -7.938 1.00 10.00 C ATOM 381 CG GLU A 847 9.903 -4.087 -9.356 1.00 10.00 C ATOM 382 CD GLU A 847 8.745 -3.631 -10.222 1.00 10.00 C ATOM 383 OE1 GLU A 847 8.914 -2.652 -10.980 1.00 10.00 O ATOM 384 OE2 GLU A 847 7.662 -4.251 -10.140 1.00 10.00 O ATOM 0 H GLU A 847 11.389 -2.603 -6.263 1.00 10.00 H new ATOM 0 HA GLU A 847 10.563 -1.706 -8.774 1.00 10.00 H new ATOM 0 HB2 GLU A 847 10.530 -4.086 -7.309 1.00 10.00 H new ATOM 0 HB3 GLU A 847 8.828 -3.735 -7.539 1.00 10.00 H new ATOM 0 HG2 GLU A 847 10.840 -3.768 -9.812 1.00 10.00 H new ATOM 0 HG3 GLU A 847 9.920 -5.176 -9.323 1.00 10.00 H new ATOM 391 N LEU A 848 8.243 -1.443 -6.409 1.00 10.00 N ATOM 392 CA LEU A 848 6.997 -0.763 -6.077 1.00 10.00 C ATOM 393 C LEU A 848 7.210 0.744 -6.045 1.00 10.00 C ATOM 394 O LEU A 848 6.292 1.516 -6.319 1.00 10.00 O ATOM 395 CB LEU A 848 6.438 -1.260 -4.745 1.00 10.00 C ATOM 396 CG LEU A 848 7.057 -0.641 -3.489 1.00 10.00 C ATOM 397 CD1 LEU A 848 6.114 0.371 -2.867 1.00 10.00 C ATOM 398 CD2 LEU A 848 7.397 -1.718 -2.480 1.00 10.00 C ATOM 0 H LEU A 848 8.622 -2.022 -5.660 1.00 10.00 H new ATOM 0 HA LEU A 848 6.265 -0.994 -6.851 1.00 10.00 H new ATOM 0 HB2 LEU A 848 5.365 -1.070 -4.730 1.00 10.00 H new ATOM 0 HB3 LEU A 848 6.571 -2.341 -4.698 1.00 10.00 H new ATOM 0 HG LEU A 848 7.973 -0.129 -3.782 1.00 10.00 H new ATOM 0 HD11 LEU A 848 6.575 0.798 -1.976 1.00 10.00 H new ATOM 0 HD12 LEU A 848 5.908 1.165 -3.585 1.00 10.00 H new ATOM 0 HD13 LEU A 848 5.181 -0.122 -2.593 1.00 10.00 H new ATOM 0 HD21 LEU A 848 7.836 -1.260 -1.593 1.00 10.00 H new ATOM 0 HD22 LEU A 848 6.490 -2.254 -2.200 1.00 10.00 H new ATOM 0 HD23 LEU A 848 8.110 -2.416 -2.919 1.00 10.00 H new ATOM 410 N ARG A 849 8.430 1.142 -5.703 1.00 10.00 N ATOM 411 CA ARG A 849 8.798 2.550 -5.645 1.00 10.00 C ATOM 412 C ARG A 849 8.899 3.115 -7.055 1.00 10.00 C ATOM 413 O ARG A 849 8.750 4.314 -7.272 1.00 10.00 O ATOM 414 CB ARG A 849 10.125 2.717 -4.902 1.00 10.00 C ATOM 415 CG ARG A 849 10.486 4.160 -4.588 1.00 10.00 C ATOM 416 CD ARG A 849 11.550 4.234 -3.510 1.00 10.00 C ATOM 417 NE ARG A 849 12.706 3.390 -3.822 1.00 10.00 N ATOM 418 CZ ARG A 849 13.599 2.991 -2.922 1.00 10.00 C ATOM 419 NH1 ARG A 849 13.476 3.358 -1.656 1.00 10.00 N ATOM 420 NH2 ARG A 849 14.620 2.234 -3.289 1.00 10.00 N ATOM 0 H ARG A 849 9.186 0.502 -5.460 1.00 10.00 H new ATOM 0 HA ARG A 849 8.029 3.099 -5.102 1.00 10.00 H new ATOM 0 HB2 ARG A 849 10.080 2.154 -3.970 1.00 10.00 H new ATOM 0 HB3 ARG A 849 10.922 2.277 -5.501 1.00 10.00 H new ATOM 0 HG2 ARG A 849 10.844 4.653 -5.491 1.00 10.00 H new ATOM 0 HG3 ARG A 849 9.596 4.698 -4.262 1.00 10.00 H new ATOM 0 HD2 ARG A 849 11.876 5.267 -3.393 1.00 10.00 H new ATOM 0 HD3 ARG A 849 11.122 3.925 -2.556 1.00 10.00 H new ATOM 0 HE ARG A 849 12.833 3.090 -4.789 1.00 10.00 H new ATOM 0 HH11 ARG A 849 12.695 3.948 -1.370 1.00 10.00 H new ATOM 0 HH12 ARG A 849 14.162 3.051 -0.967 1.00 10.00 H new ATOM 0 HH21 ARG A 849 14.723 1.955 -4.265 1.00 10.00 H new ATOM 0 HH22 ARG A 849 15.304 1.929 -2.596 1.00 10.00 H new ATOM 434 N ARG A 850 9.164 2.236 -8.014 1.00 10.00 N ATOM 435 CA ARG A 850 9.261 2.627 -9.412 1.00 10.00 C ATOM 436 C ARG A 850 7.867 2.649 -10.036 1.00 10.00 C ATOM 437 O ARG A 850 7.634 3.312 -11.046 1.00 10.00 O ATOM 438 CB ARG A 850 10.179 1.660 -10.173 1.00 10.00 C ATOM 439 CG ARG A 850 11.489 2.284 -10.657 1.00 10.00 C ATOM 440 CD ARG A 850 12.363 2.759 -9.499 1.00 10.00 C ATOM 441 NE ARG A 850 11.974 4.085 -9.017 1.00 10.00 N ATOM 442 CZ ARG A 850 12.534 4.691 -7.971 1.00 10.00 C ATOM 443 NH1 ARG A 850 13.508 4.099 -7.294 1.00 10.00 N ATOM 444 NH2 ARG A 850 12.115 5.891 -7.597 1.00 10.00 N ATOM 0 H ARG A 850 9.316 1.242 -7.846 1.00 10.00 H new ATOM 0 HA ARG A 850 9.692 3.626 -9.476 1.00 10.00 H new ATOM 0 HB2 ARG A 850 10.411 0.813 -9.527 1.00 10.00 H new ATOM 0 HB3 ARG A 850 9.638 1.266 -11.033 1.00 10.00 H new ATOM 0 HG2 ARG A 850 12.040 1.554 -11.250 1.00 10.00 H new ATOM 0 HG3 ARG A 850 11.268 3.126 -11.313 1.00 10.00 H new ATOM 0 HD2 ARG A 850 12.297 2.043 -8.680 1.00 10.00 H new ATOM 0 HD3 ARG A 850 13.405 2.782 -9.819 1.00 10.00 H new ATOM 0 HE ARG A 850 11.229 4.575 -9.512 1.00 10.00 H new ATOM 0 HH11 ARG A 850 13.833 3.173 -7.573 1.00 10.00 H new ATOM 0 HH12 ARG A 850 13.932 4.569 -6.494 1.00 10.00 H new ATOM 0 HH21 ARG A 850 11.363 6.351 -8.110 1.00 10.00 H new ATOM 0 HH22 ARG A 850 12.544 6.354 -6.796 1.00 10.00 H new ATOM 458 N GLU A 851 6.946 1.913 -9.410 1.00 10.00 N ATOM 459 CA GLU A 851 5.561 1.839 -9.864 1.00 10.00 C ATOM 460 C GLU A 851 4.741 2.976 -9.269 1.00 10.00 C ATOM 461 O GLU A 851 4.300 3.882 -9.979 1.00 10.00 O ATOM 462 CB GLU A 851 4.939 0.499 -9.458 1.00 10.00 C ATOM 463 CG GLU A 851 5.530 -0.688 -10.194 1.00 10.00 C ATOM 464 CD GLU A 851 5.377 -0.558 -11.696 1.00 10.00 C ATOM 465 OE1 GLU A 851 4.224 -0.475 -12.169 1.00 10.00 O ATOM 466 OE2 GLU A 851 6.409 -0.538 -12.399 1.00 10.00 O ATOM 0 H GLU A 851 7.141 1.355 -8.579 1.00 10.00 H new ATOM 0 HA GLU A 851 5.556 1.926 -10.951 1.00 10.00 H new ATOM 0 HB2 GLU A 851 5.072 0.355 -8.386 1.00 10.00 H new ATOM 0 HB3 GLU A 851 3.866 0.534 -9.644 1.00 10.00 H new ATOM 0 HG2 GLU A 851 6.587 -0.780 -9.944 1.00 10.00 H new ATOM 0 HG3 GLU A 851 5.042 -1.603 -9.858 1.00 10.00 H new ATOM 473 N LEU A 852 4.542 2.908 -7.958 1.00 10.00 N ATOM 474 CA LEU A 852 3.789 3.917 -7.228 1.00 10.00 C ATOM 475 C LEU A 852 4.649 5.144 -6.967 1.00 10.00 C ATOM 476 O LEU A 852 5.866 5.027 -6.813 1.00 10.00 O ATOM 477 CB LEU A 852 3.310 3.351 -5.887 1.00 10.00 C ATOM 478 CG LEU A 852 2.511 2.053 -5.969 1.00 10.00 C ATOM 479 CD1 LEU A 852 2.358 1.437 -4.584 1.00 10.00 C ATOM 480 CD2 LEU A 852 1.146 2.311 -6.587 1.00 10.00 C ATOM 0 H LEU A 852 4.898 2.152 -7.373 1.00 10.00 H new ATOM 0 HA LEU A 852 2.930 4.202 -7.836 1.00 10.00 H new ATOM 0 HB2 LEU A 852 4.180 3.182 -5.252 1.00 10.00 H new ATOM 0 HB3 LEU A 852 2.696 4.104 -5.393 1.00 10.00 H new ATOM 0 HG LEU A 852 3.052 1.351 -6.603 1.00 10.00 H new ATOM 0 HD11 LEU A 852 1.786 0.512 -4.658 1.00 10.00 H new ATOM 0 HD12 LEU A 852 3.343 1.222 -4.170 1.00 10.00 H new ATOM 0 HD13 LEU A 852 1.835 2.136 -3.931 1.00 10.00 H new ATOM 0 HD21 LEU A 852 0.588 1.376 -6.639 1.00 10.00 H new ATOM 0 HD22 LEU A 852 0.599 3.027 -5.974 1.00 10.00 H new ATOM 0 HD23 LEU A 852 1.272 2.715 -7.592 1.00 10.00 H new ATOM 492 N PRO A 853 4.027 6.340 -6.928 1.00 10.00 N ATOM 493 CA PRO A 853 4.737 7.589 -6.656 1.00 10.00 C ATOM 494 C PRO A 853 5.521 7.511 -5.346 1.00 10.00 C ATOM 495 O PRO A 853 5.067 6.882 -4.396 1.00 10.00 O ATOM 496 CB PRO A 853 3.620 8.646 -6.560 1.00 10.00 C ATOM 497 CG PRO A 853 2.337 7.884 -6.512 1.00 10.00 C ATOM 498 CD PRO A 853 2.597 6.562 -7.171 1.00 10.00 C ATOM 0 HA PRO A 853 5.471 7.820 -7.428 1.00 10.00 H new ATOM 0 HB2 PRO A 853 3.741 9.262 -5.669 1.00 10.00 H new ATOM 0 HB3 PRO A 853 3.643 9.318 -7.418 1.00 10.00 H new ATOM 0 HG2 PRO A 853 2.007 7.745 -5.482 1.00 10.00 H new ATOM 0 HG3 PRO A 853 1.545 8.426 -7.030 1.00 10.00 H new ATOM 0 HD2 PRO A 853 1.987 5.769 -6.737 1.00 10.00 H new ATOM 0 HD3 PRO A 853 2.370 6.592 -8.237 1.00 10.00 H new ATOM 506 N PRO A 854 6.714 8.138 -5.303 1.00 10.00 N ATOM 507 CA PRO A 854 7.604 8.154 -4.128 1.00 10.00 C ATOM 508 C PRO A 854 6.868 8.277 -2.796 1.00 10.00 C ATOM 509 O PRO A 854 7.145 7.532 -1.862 1.00 10.00 O ATOM 510 CB PRO A 854 8.452 9.399 -4.387 1.00 10.00 C ATOM 511 CG PRO A 854 8.583 9.451 -5.862 1.00 10.00 C ATOM 512 CD PRO A 854 7.302 8.891 -6.424 1.00 10.00 C ATOM 0 HA PRO A 854 8.163 7.223 -4.029 1.00 10.00 H new ATOM 0 HB2 PRO A 854 7.971 10.296 -3.998 1.00 10.00 H new ATOM 0 HB3 PRO A 854 9.426 9.325 -3.903 1.00 10.00 H new ATOM 0 HG2 PRO A 854 8.741 10.475 -6.202 1.00 10.00 H new ATOM 0 HG3 PRO A 854 9.441 8.868 -6.196 1.00 10.00 H new ATOM 0 HD2 PRO A 854 6.636 9.684 -6.764 1.00 10.00 H new ATOM 0 HD3 PRO A 854 7.492 8.245 -7.281 1.00 10.00 H new ATOM 520 N ASP A 855 5.915 9.214 -2.723 1.00 10.00 N ATOM 521 CA ASP A 855 5.123 9.446 -1.506 1.00 10.00 C ATOM 522 C ASP A 855 4.371 8.187 -1.067 1.00 10.00 C ATOM 523 O ASP A 855 4.414 7.796 0.107 1.00 10.00 O ATOM 524 CB ASP A 855 4.114 10.571 -1.742 1.00 10.00 C ATOM 525 CG ASP A 855 4.770 11.863 -2.182 1.00 10.00 C ATOM 526 OD1 ASP A 855 4.897 12.077 -3.408 1.00 10.00 O ATOM 527 OD2 ASP A 855 5.153 12.664 -1.303 1.00 10.00 O ATOM 0 H ASP A 855 5.671 9.829 -3.499 1.00 10.00 H new ATOM 0 HA ASP A 855 5.820 9.724 -0.715 1.00 10.00 H new ATOM 0 HB2 ASP A 855 3.396 10.257 -2.500 1.00 10.00 H new ATOM 0 HB3 ASP A 855 3.552 10.748 -0.825 1.00 10.00 H new ATOM 532 N GLN A 856 3.687 7.554 -2.015 1.00 10.00 N ATOM 533 CA GLN A 856 2.925 6.345 -1.732 1.00 10.00 C ATOM 534 C GLN A 856 3.844 5.151 -1.498 1.00 10.00 C ATOM 535 O GLN A 856 3.588 4.337 -0.621 1.00 10.00 O ATOM 536 CB GLN A 856 1.956 6.044 -2.873 1.00 10.00 C ATOM 537 CG GLN A 856 0.512 6.410 -2.553 1.00 10.00 C ATOM 538 CD GLN A 856 0.314 7.899 -2.352 1.00 10.00 C ATOM 539 OE1 GLN A 856 0.415 8.407 -1.235 1.00 10.00 O ATOM 540 NE2 GLN A 856 0.027 8.607 -3.436 1.00 10.00 N ATOM 0 H GLN A 856 3.646 7.860 -2.987 1.00 10.00 H new ATOM 0 HA GLN A 856 2.356 6.519 -0.819 1.00 10.00 H new ATOM 0 HB2 GLN A 856 2.273 6.589 -3.762 1.00 10.00 H new ATOM 0 HB3 GLN A 856 2.009 4.982 -3.114 1.00 10.00 H new ATOM 0 HG2 GLN A 856 -0.133 6.069 -3.363 1.00 10.00 H new ATOM 0 HG3 GLN A 856 0.199 5.882 -1.652 1.00 10.00 H new ATOM 0 HE21 GLN A 856 -0.047 8.145 -4.342 1.00 10.00 H new ATOM 0 HE22 GLN A 856 -0.120 9.614 -3.364 1.00 10.00 H new ATOM 549 N ALA A 857 4.904 5.059 -2.298 1.00 10.00 N ATOM 550 CA ALA A 857 5.875 3.974 -2.184 1.00 10.00 C ATOM 551 C ALA A 857 6.482 3.921 -0.786 1.00 10.00 C ATOM 552 O ALA A 857 6.482 2.871 -0.150 1.00 10.00 O ATOM 553 CB ALA A 857 6.968 4.119 -3.224 1.00 10.00 C ATOM 0 H ALA A 857 5.113 5.729 -3.038 1.00 10.00 H new ATOM 0 HA ALA A 857 5.346 3.038 -2.362 1.00 10.00 H new ATOM 0 HB1 ALA A 857 7.680 3.300 -3.120 1.00 10.00 H new ATOM 0 HB2 ALA A 857 6.528 4.093 -4.221 1.00 10.00 H new ATOM 0 HB3 ALA A 857 7.484 5.068 -3.080 1.00 10.00 H new ATOM 559 N GLU A 858 6.993 5.056 -0.308 1.00 10.00 N ATOM 560 CA GLU A 858 7.590 5.124 1.026 1.00 10.00 C ATOM 561 C GLU A 858 6.589 4.693 2.091 1.00 10.00 C ATOM 562 O GLU A 858 6.944 3.992 3.039 1.00 10.00 O ATOM 563 CB GLU A 858 8.086 6.539 1.328 1.00 10.00 C ATOM 564 CG GLU A 858 9.293 6.955 0.497 1.00 10.00 C ATOM 565 CD GLU A 858 10.449 5.980 0.614 1.00 10.00 C ATOM 566 OE1 GLU A 858 10.700 5.236 -0.360 1.00 10.00 O ATOM 567 OE2 GLU A 858 11.101 5.954 1.680 1.00 10.00 O ATOM 0 H GLU A 858 7.006 5.937 -0.822 1.00 10.00 H new ATOM 0 HA GLU A 858 8.439 4.441 1.044 1.00 10.00 H new ATOM 0 HB2 GLU A 858 7.274 7.244 1.152 1.00 10.00 H new ATOM 0 HB3 GLU A 858 8.343 6.607 2.385 1.00 10.00 H new ATOM 0 HG2 GLU A 858 8.998 7.038 -0.549 1.00 10.00 H new ATOM 0 HG3 GLU A 858 9.624 7.944 0.814 1.00 10.00 H new ATOM 574 N TYR A 859 5.337 5.120 1.925 1.00 10.00 N ATOM 575 CA TYR A 859 4.276 4.755 2.857 1.00 10.00 C ATOM 576 C TYR A 859 4.016 3.248 2.804 1.00 10.00 C ATOM 577 O TYR A 859 3.856 2.603 3.840 1.00 10.00 O ATOM 578 CB TYR A 859 2.992 5.522 2.532 1.00 10.00 C ATOM 579 CG TYR A 859 1.837 5.158 3.435 1.00 10.00 C ATOM 580 CD1 TYR A 859 1.838 5.527 4.772 1.00 10.00 C ATOM 581 CD2 TYR A 859 0.751 4.440 2.950 1.00 10.00 C ATOM 582 CE1 TYR A 859 0.789 5.191 5.604 1.00 10.00 C ATOM 583 CE2 TYR A 859 -0.303 4.102 3.775 1.00 10.00 C ATOM 584 CZ TYR A 859 -0.278 4.479 5.101 1.00 10.00 C ATOM 585 OH TYR A 859 -1.325 4.142 5.927 1.00 10.00 O ATOM 0 H TYR A 859 5.036 5.717 1.155 1.00 10.00 H new ATOM 0 HA TYR A 859 4.596 5.021 3.865 1.00 10.00 H new ATOM 0 HB2 TYR A 859 3.185 6.592 2.613 1.00 10.00 H new ATOM 0 HB3 TYR A 859 2.711 5.326 1.497 1.00 10.00 H new ATOM 0 HD1 TYR A 859 2.673 6.086 5.168 1.00 10.00 H new ATOM 0 HD2 TYR A 859 0.731 4.142 1.912 1.00 10.00 H new ATOM 0 HE1 TYR A 859 0.805 5.485 6.643 1.00 10.00 H new ATOM 0 HE2 TYR A 859 -1.142 3.546 3.384 1.00 10.00 H new ATOM 0 HH TYR A 859 -1.996 3.642 5.417 1.00 10.00 H new ATOM 595 N CYS A 860 3.963 2.706 1.585 1.00 10.00 N ATOM 596 CA CYS A 860 3.747 1.276 1.375 1.00 10.00 C ATOM 597 C CYS A 860 4.895 0.469 1.968 1.00 10.00 C ATOM 598 O CYS A 860 4.670 -0.543 2.621 1.00 10.00 O ATOM 599 CB CYS A 860 3.627 0.959 -0.119 1.00 10.00 C ATOM 600 SG CYS A 860 2.101 1.544 -0.892 1.00 10.00 S ATOM 0 H CYS A 860 4.068 3.242 0.724 1.00 10.00 H new ATOM 0 HA CYS A 860 2.817 1.003 1.874 1.00 10.00 H new ATOM 0 HB2 CYS A 860 4.476 1.402 -0.640 1.00 10.00 H new ATOM 0 HB3 CYS A 860 3.697 -0.120 -0.255 1.00 10.00 H new ATOM 0 HG CYS A 860 1.086 1.226 -0.144 1.00 10.00 H new ATOM 606 N ILE A 861 6.124 0.930 1.727 1.00 10.00 N ATOM 607 CA ILE A 861 7.318 0.270 2.236 1.00 10.00 C ATOM 608 C ILE A 861 7.282 0.179 3.761 1.00 10.00 C ATOM 609 O ILE A 861 7.547 -0.875 4.336 1.00 10.00 O ATOM 610 CB ILE A 861 8.595 1.020 1.781 1.00 10.00 C ATOM 611 CG1 ILE A 861 8.831 0.812 0.274 1.00 10.00 C ATOM 612 CG2 ILE A 861 9.815 0.575 2.587 1.00 10.00 C ATOM 613 CD1 ILE A 861 9.894 1.721 -0.306 1.00 10.00 C ATOM 0 H ILE A 861 6.314 1.767 1.176 1.00 10.00 H new ATOM 0 HA ILE A 861 7.340 -0.740 1.828 1.00 10.00 H new ATOM 0 HB ILE A 861 8.446 2.084 1.966 1.00 10.00 H new ATOM 0 HG12 ILE A 861 9.118 -0.225 0.100 1.00 10.00 H new ATOM 0 HG13 ILE A 861 7.894 0.977 -0.258 1.00 10.00 H new ATOM 0 HG21 ILE A 861 10.695 1.119 2.245 1.00 10.00 H new ATOM 0 HG22 ILE A 861 9.648 0.783 3.644 1.00 10.00 H new ATOM 0 HG23 ILE A 861 9.973 -0.495 2.448 1.00 10.00 H new ATOM 0 HD11 ILE A 861 10.005 1.517 -1.371 1.00 10.00 H new ATOM 0 HD12 ILE A 861 9.600 2.761 -0.164 1.00 10.00 H new ATOM 0 HD13 ILE A 861 10.843 1.540 0.199 1.00 10.00 H new ATOM 625 N ALA A 862 6.930 1.280 4.405 1.00 10.00 N ATOM 626 CA ALA A 862 6.864 1.325 5.859 1.00 10.00 C ATOM 627 C ALA A 862 5.687 0.514 6.406 1.00 10.00 C ATOM 628 O ALA A 862 5.707 0.074 7.556 1.00 10.00 O ATOM 629 CB ALA A 862 6.769 2.763 6.337 1.00 10.00 C ATOM 0 H ALA A 862 6.685 2.156 3.944 1.00 10.00 H new ATOM 0 HA ALA A 862 7.781 0.875 6.239 1.00 10.00 H new ATOM 0 HB1 ALA A 862 6.720 2.782 7.426 1.00 10.00 H new ATOM 0 HB2 ALA A 862 7.647 3.316 6.003 1.00 10.00 H new ATOM 0 HB3 ALA A 862 5.871 3.225 5.926 1.00 10.00 H new ATOM 635 N ARG A 863 4.659 0.315 5.585 1.00 10.00 N ATOM 636 CA ARG A 863 3.475 -0.427 6.007 1.00 10.00 C ATOM 637 C ARG A 863 3.573 -1.906 5.649 1.00 10.00 C ATOM 638 O ARG A 863 2.712 -2.698 6.027 1.00 10.00 O ATOM 639 CB ARG A 863 2.217 0.179 5.388 1.00 10.00 C ATOM 640 CG ARG A 863 1.678 1.374 6.154 1.00 10.00 C ATOM 641 CD ARG A 863 1.005 0.953 7.452 1.00 10.00 C ATOM 642 NE ARG A 863 -0.453 0.877 7.321 1.00 10.00 N ATOM 643 CZ ARG A 863 -1.264 0.390 8.264 1.00 10.00 C ATOM 644 NH1 ARG A 863 -0.765 -0.073 9.403 1.00 10.00 N ATOM 645 NH2 ARG A 863 -2.572 0.365 8.069 1.00 10.00 N ATOM 0 H ARG A 863 4.622 0.657 4.625 1.00 10.00 H new ATOM 0 HA ARG A 863 3.414 -0.351 7.093 1.00 10.00 H new ATOM 0 HB2 ARG A 863 2.436 0.483 4.364 1.00 10.00 H new ATOM 0 HB3 ARG A 863 1.443 -0.587 5.335 1.00 10.00 H new ATOM 0 HG2 ARG A 863 2.493 2.063 6.374 1.00 10.00 H new ATOM 0 HG3 ARG A 863 0.964 1.913 5.532 1.00 10.00 H new ATOM 0 HD2 ARG A 863 1.391 -0.018 7.761 1.00 10.00 H new ATOM 0 HD3 ARG A 863 1.261 1.663 8.239 1.00 10.00 H new ATOM 0 HE ARG A 863 -0.874 1.217 6.456 1.00 10.00 H new ATOM 0 HH11 ARG A 863 0.242 -0.058 9.562 1.00 10.00 H new ATOM 0 HH12 ARG A 863 -1.389 -0.444 10.120 1.00 10.00 H new ATOM 0 HH21 ARG A 863 -2.964 0.718 7.196 1.00 10.00 H new ATOM 0 HH22 ARG A 863 -3.188 -0.008 8.791 1.00 10.00 H new ATOM 659 N MET A 864 4.615 -2.283 4.917 1.00 10.00 N ATOM 660 CA MET A 864 4.800 -3.678 4.529 1.00 10.00 C ATOM 661 C MET A 864 5.514 -4.428 5.653 1.00 10.00 C ATOM 662 O MET A 864 6.076 -3.807 6.552 1.00 10.00 O ATOM 663 CB MET A 864 5.601 -3.797 3.228 1.00 10.00 C ATOM 664 CG MET A 864 4.794 -3.479 1.974 1.00 10.00 C ATOM 665 SD MET A 864 5.756 -3.635 0.454 1.00 10.00 S ATOM 666 CE MET A 864 4.495 -3.247 -0.759 1.00 10.00 C ATOM 0 H MET A 864 5.340 -1.649 4.582 1.00 10.00 H new ATOM 0 HA MET A 864 3.818 -4.119 4.356 1.00 10.00 H new ATOM 0 HB2 MET A 864 6.457 -3.124 3.277 1.00 10.00 H new ATOM 0 HB3 MET A 864 5.995 -4.810 3.147 1.00 10.00 H new ATOM 0 HG2 MET A 864 3.934 -4.147 1.923 1.00 10.00 H new ATOM 0 HG3 MET A 864 4.404 -2.464 2.048 1.00 10.00 H new ATOM 0 HE1 MET A 864 4.624 -3.883 -1.635 1.00 10.00 H new ATOM 0 HE2 MET A 864 3.509 -3.420 -0.327 1.00 10.00 H new ATOM 0 HE3 MET A 864 4.583 -2.201 -1.054 1.00 10.00 H new ATOM 676 N ALA A 865 5.489 -5.739 5.586 1.00 10.00 N ATOM 677 CA ALA A 865 6.142 -6.553 6.614 1.00 10.00 C ATOM 678 C ALA A 865 7.233 -7.388 5.974 1.00 10.00 C ATOM 679 O ALA A 865 7.144 -7.726 4.795 1.00 10.00 O ATOM 680 CB ALA A 865 5.119 -7.429 7.311 1.00 10.00 C ATOM 0 H ALA A 865 5.032 -6.270 4.844 1.00 10.00 H new ATOM 0 HA ALA A 865 6.595 -5.906 7.365 1.00 10.00 H new ATOM 0 HB1 ALA A 865 5.614 -8.030 8.073 1.00 10.00 H new ATOM 0 HB2 ALA A 865 4.361 -6.801 7.780 1.00 10.00 H new ATOM 0 HB3 ALA A 865 4.645 -8.086 6.582 1.00 10.00 H new ATOM 686 N PRO A 866 8.286 -7.736 6.731 1.00 10.00 N ATOM 687 CA PRO A 866 9.403 -8.540 6.223 1.00 10.00 C ATOM 688 C PRO A 866 8.957 -9.862 5.603 1.00 10.00 C ATOM 689 O PRO A 866 8.625 -10.795 6.315 1.00 10.00 O ATOM 690 CB PRO A 866 10.277 -8.781 7.463 1.00 10.00 C ATOM 691 CG PRO A 866 9.412 -8.436 8.628 1.00 10.00 C ATOM 692 CD PRO A 866 8.471 -7.376 8.143 1.00 10.00 C ATOM 0 HA PRO A 866 9.926 -8.027 5.416 1.00 10.00 H new ATOM 0 HB2 PRO A 866 10.610 -9.818 7.514 1.00 10.00 H new ATOM 0 HB3 PRO A 866 11.172 -8.159 7.440 1.00 10.00 H new ATOM 0 HG2 PRO A 866 8.866 -9.311 8.981 1.00 10.00 H new ATOM 0 HG3 PRO A 866 10.010 -8.074 9.464 1.00 10.00 H new ATOM 0 HD2 PRO A 866 7.529 -7.388 8.691 1.00 10.00 H new ATOM 0 HD3 PRO A 866 8.893 -6.377 8.255 1.00 10.00 H new ATOM 700 N TYR A 867 8.960 -9.873 4.262 1.00 10.00 N ATOM 701 CA TYR A 867 8.605 -11.013 3.388 1.00 10.00 C ATOM 702 C TYR A 867 7.879 -12.190 4.075 1.00 10.00 C ATOM 703 O TYR A 867 6.695 -12.375 3.828 1.00 10.00 O ATOM 704 CB TYR A 867 9.826 -11.515 2.571 1.00 10.00 C ATOM 705 CG TYR A 867 11.186 -11.486 3.268 1.00 10.00 C ATOM 706 CD1 TYR A 867 11.617 -10.363 3.963 1.00 10.00 C ATOM 707 CD2 TYR A 867 12.049 -12.581 3.205 1.00 10.00 C ATOM 708 CE1 TYR A 867 12.844 -10.322 4.586 1.00 10.00 C ATOM 709 CE2 TYR A 867 13.284 -12.544 3.828 1.00 10.00 C ATOM 710 CZ TYR A 867 13.676 -11.416 4.516 1.00 10.00 C ATOM 711 OH TYR A 867 14.906 -11.380 5.135 1.00 10.00 O ATOM 0 H TYR A 867 9.223 -9.047 3.725 1.00 10.00 H new ATOM 0 HA TYR A 867 7.863 -10.593 2.709 1.00 10.00 H new ATOM 0 HB2 TYR A 867 9.627 -12.540 2.259 1.00 10.00 H new ATOM 0 HB3 TYR A 867 9.897 -10.914 1.664 1.00 10.00 H new ATOM 0 HD1 TYR A 867 10.972 -9.498 4.016 1.00 10.00 H new ATOM 0 HD2 TYR A 867 11.750 -13.467 2.664 1.00 10.00 H new ATOM 0 HE1 TYR A 867 13.151 -9.438 5.125 1.00 10.00 H new ATOM 0 HE2 TYR A 867 13.941 -13.399 3.775 1.00 10.00 H new ATOM 0 HH TYR A 867 15.158 -12.285 5.415 1.00 10.00 H new ATOM 721 N THR A 868 8.566 -12.966 4.917 1.00 10.00 N ATOM 722 CA THR A 868 7.934 -14.108 5.599 1.00 10.00 C ATOM 723 C THR A 868 7.569 -15.216 4.605 1.00 10.00 C ATOM 724 O THR A 868 6.507 -15.187 3.982 1.00 10.00 O ATOM 725 CB THR A 868 6.671 -13.660 6.373 1.00 10.00 C ATOM 726 OG1 THR A 868 6.991 -12.545 7.213 1.00 10.00 O ATOM 727 CG2 THR A 868 6.106 -14.797 7.223 1.00 10.00 C ATOM 0 H THR A 868 9.551 -12.830 5.144 1.00 10.00 H new ATOM 0 HA THR A 868 8.660 -14.505 6.309 1.00 10.00 H new ATOM 0 HB THR A 868 5.913 -13.371 5.645 1.00 10.00 H new ATOM 0 HG1 THR A 868 7.289 -11.793 6.659 1.00 10.00 H new ATOM 0 HG21 THR A 868 5.220 -14.449 7.753 1.00 10.00 H new ATOM 0 HG22 THR A 868 5.838 -15.634 6.579 1.00 10.00 H new ATOM 0 HG23 THR A 868 6.857 -15.120 7.944 1.00 10.00 H new ATOM 735 N GLY A 869 8.460 -16.188 4.451 1.00 10.00 N ATOM 736 CA GLY A 869 8.191 -17.284 3.540 1.00 10.00 C ATOM 737 C GLY A 869 9.280 -18.336 3.521 1.00 10.00 C ATOM 738 O GLY A 869 10.287 -18.202 4.212 1.00 10.00 O ATOM 0 H GLY A 869 9.356 -16.237 4.936 1.00 10.00 H new ATOM 0 HA2 GLY A 869 7.248 -17.754 3.818 1.00 10.00 H new ATOM 0 HA3 GLY A 869 8.064 -16.886 2.533 1.00 10.00 H new ATOM 742 N PRO A 870 9.096 -19.405 2.721 1.00 10.00 N ATOM 743 CA PRO A 870 10.075 -20.503 2.593 1.00 10.00 C ATOM 744 C PRO A 870 11.298 -20.120 1.774 1.00 10.00 C ATOM 745 O PRO A 870 12.164 -20.960 1.496 1.00 10.00 O ATOM 746 CB PRO A 870 9.280 -21.586 1.868 1.00 10.00 C ATOM 747 CG PRO A 870 8.270 -20.846 1.068 1.00 10.00 C ATOM 748 CD PRO A 870 7.894 -19.640 1.883 1.00 10.00 C ATOM 0 HA PRO A 870 10.472 -20.802 3.563 1.00 10.00 H new ATOM 0 HB2 PRO A 870 9.925 -22.189 1.229 1.00 10.00 H new ATOM 0 HB3 PRO A 870 8.804 -22.266 2.574 1.00 10.00 H new ATOM 0 HG2 PRO A 870 8.678 -20.551 0.101 1.00 10.00 H new ATOM 0 HG3 PRO A 870 7.398 -21.469 0.869 1.00 10.00 H new ATOM 0 HD2 PRO A 870 7.671 -18.781 1.250 1.00 10.00 H new ATOM 0 HD3 PRO A 870 7.009 -19.826 2.492 1.00 10.00 H new ATOM 756 N ASP A 871 11.354 -18.863 1.405 1.00 10.00 N ATOM 757 CA ASP A 871 12.445 -18.320 0.605 1.00 10.00 C ATOM 758 C ASP A 871 12.708 -16.877 0.998 1.00 10.00 C ATOM 759 O ASP A 871 11.906 -15.987 0.711 1.00 10.00 O ATOM 760 CB ASP A 871 12.146 -18.417 -0.888 1.00 10.00 C ATOM 761 CG ASP A 871 13.185 -17.716 -1.737 1.00 10.00 C ATOM 762 OD1 ASP A 871 14.392 -17.895 -1.481 1.00 10.00 O ATOM 763 OD2 ASP A 871 12.800 -16.999 -2.683 1.00 10.00 O ATOM 0 H ASP A 871 10.641 -18.176 1.650 1.00 10.00 H new ATOM 0 HA ASP A 871 13.337 -18.915 0.803 1.00 10.00 H new ATOM 0 HB2 ASP A 871 12.094 -19.467 -1.177 1.00 10.00 H new ATOM 0 HB3 ASP A 871 11.166 -17.983 -1.087 1.00 10.00 H new ATOM 768 N SER A 872 13.823 -16.676 1.674 1.00 10.00 N ATOM 769 CA SER A 872 14.221 -15.358 2.119 1.00 10.00 C ATOM 770 C SER A 872 14.654 -14.509 0.926 1.00 10.00 C ATOM 771 O SER A 872 15.754 -14.667 0.391 1.00 10.00 O ATOM 772 CB SER A 872 15.351 -15.480 3.154 1.00 10.00 C ATOM 773 OG SER A 872 15.742 -14.212 3.662 1.00 10.00 O ATOM 0 H SER A 872 14.474 -17.419 1.928 1.00 10.00 H new ATOM 0 HA SER A 872 13.373 -14.863 2.593 1.00 10.00 H new ATOM 0 HB2 SER A 872 15.023 -16.115 3.977 1.00 10.00 H new ATOM 0 HB3 SER A 872 16.211 -15.969 2.697 1.00 10.00 H new ATOM 0 HG SER A 872 15.458 -14.132 4.596 1.00 10.00 H new ATOM 779 N VAL A 873 13.754 -13.639 0.506 1.00 10.00 N ATOM 780 CA VAL A 873 13.979 -12.752 -0.620 1.00 10.00 C ATOM 781 C VAL A 873 14.658 -11.455 -0.178 1.00 10.00 C ATOM 782 O VAL A 873 14.168 -10.763 0.713 1.00 10.00 O ATOM 783 CB VAL A 873 12.639 -12.437 -1.322 1.00 10.00 C ATOM 784 CG1 VAL A 873 12.120 -13.671 -2.038 1.00 10.00 C ATOM 785 CG2 VAL A 873 11.600 -11.961 -0.316 1.00 10.00 C ATOM 0 H VAL A 873 12.838 -13.527 0.941 1.00 10.00 H new ATOM 0 HA VAL A 873 14.643 -13.258 -1.321 1.00 10.00 H new ATOM 0 HB VAL A 873 12.816 -11.643 -2.048 1.00 10.00 H new ATOM 0 HG11 VAL A 873 11.175 -13.437 -2.529 1.00 10.00 H new ATOM 0 HG12 VAL A 873 12.847 -13.991 -2.784 1.00 10.00 H new ATOM 0 HG13 VAL A 873 11.964 -14.472 -1.316 1.00 10.00 H new ATOM 0 HG21 VAL A 873 10.665 -11.745 -0.833 1.00 10.00 H new ATOM 0 HG22 VAL A 873 11.432 -12.739 0.429 1.00 10.00 H new ATOM 0 HG23 VAL A 873 11.958 -11.058 0.177 1.00 10.00 H new ATOM 795 N PRO A 874 15.806 -11.115 -0.789 1.00 10.00 N ATOM 796 CA PRO A 874 16.553 -9.907 -0.458 1.00 10.00 C ATOM 797 C PRO A 874 16.043 -8.685 -1.212 1.00 10.00 C ATOM 798 O PRO A 874 15.844 -8.725 -2.432 1.00 10.00 O ATOM 799 CB PRO A 874 17.975 -10.256 -0.888 1.00 10.00 C ATOM 800 CG PRO A 874 17.815 -11.215 -2.017 1.00 10.00 C ATOM 801 CD PRO A 874 16.468 -11.881 -1.856 1.00 10.00 C ATOM 0 HA PRO A 874 16.464 -9.639 0.595 1.00 10.00 H new ATOM 0 HB2 PRO A 874 18.522 -9.366 -1.201 1.00 10.00 H new ATOM 0 HB3 PRO A 874 18.536 -10.703 -0.068 1.00 10.00 H new ATOM 0 HG2 PRO A 874 17.875 -10.695 -2.973 1.00 10.00 H new ATOM 0 HG3 PRO A 874 18.614 -11.957 -2.007 1.00 10.00 H new ATOM 0 HD2 PRO A 874 15.895 -11.848 -2.783 1.00 10.00 H new ATOM 0 HD3 PRO A 874 16.574 -12.931 -1.584 1.00 10.00 H new ATOM 809 N GLY A 875 15.815 -7.606 -0.478 1.00 10.00 N ATOM 810 CA GLY A 875 15.336 -6.373 -1.072 1.00 10.00 C ATOM 811 C GLY A 875 13.846 -6.390 -1.360 1.00 10.00 C ATOM 812 O GLY A 875 13.300 -5.434 -1.915 1.00 10.00 O ATOM 0 H GLY A 875 15.955 -7.562 0.531 1.00 10.00 H new ATOM 0 HA2 GLY A 875 15.561 -5.543 -0.402 1.00 10.00 H new ATOM 0 HA3 GLY A 875 15.877 -6.190 -2.000 1.00 10.00 H new ATOM 816 N ALA A 876 13.188 -7.465 -0.966 1.00 10.00 N ATOM 817 CA ALA A 876 11.761 -7.619 -1.189 1.00 10.00 C ATOM 818 C ALA A 876 11.044 -7.816 0.138 1.00 10.00 C ATOM 819 O ALA A 876 11.588 -8.426 1.062 1.00 10.00 O ATOM 820 CB ALA A 876 11.497 -8.784 -2.130 1.00 10.00 C ATOM 0 H ALA A 876 13.624 -8.252 -0.485 1.00 10.00 H new ATOM 0 HA ALA A 876 11.374 -6.713 -1.656 1.00 10.00 H new ATOM 0 HB1 ALA A 876 10.424 -8.888 -2.288 1.00 10.00 H new ATOM 0 HB2 ALA A 876 11.988 -8.599 -3.085 1.00 10.00 H new ATOM 0 HB3 ALA A 876 11.890 -9.702 -1.692 1.00 10.00 H new ATOM 826 N LEU A 877 9.833 -7.289 0.233 1.00 10.00 N ATOM 827 CA LEU A 877 9.039 -7.399 1.448 1.00 10.00 C ATOM 828 C LEU A 877 7.621 -7.860 1.127 1.00 10.00 C ATOM 829 O LEU A 877 7.136 -7.664 0.011 1.00 10.00 O ATOM 830 CB LEU A 877 9.010 -6.059 2.183 1.00 10.00 C ATOM 831 CG LEU A 877 9.488 -6.118 3.631 1.00 10.00 C ATOM 832 CD1 LEU A 877 10.975 -6.425 3.703 1.00 10.00 C ATOM 833 CD2 LEU A 877 9.185 -4.809 4.340 1.00 10.00 C ATOM 0 H LEU A 877 9.376 -6.778 -0.522 1.00 10.00 H new ATOM 0 HA LEU A 877 9.501 -8.144 2.095 1.00 10.00 H new ATOM 0 HB2 LEU A 877 9.630 -5.347 1.638 1.00 10.00 H new ATOM 0 HB3 LEU A 877 7.991 -5.672 2.166 1.00 10.00 H new ATOM 0 HG LEU A 877 8.951 -6.923 4.132 1.00 10.00 H new ATOM 0 HD11 LEU A 877 11.289 -6.461 4.746 1.00 10.00 H new ATOM 0 HD12 LEU A 877 11.171 -7.388 3.231 1.00 10.00 H new ATOM 0 HD13 LEU A 877 11.533 -5.646 3.183 1.00 10.00 H new ATOM 0 HD21 LEU A 877 9.531 -4.865 5.372 1.00 10.00 H new ATOM 0 HD22 LEU A 877 9.696 -3.992 3.830 1.00 10.00 H new ATOM 0 HD23 LEU A 877 8.110 -4.629 4.328 1.00 10.00 H new ATOM 845 N ASP A 878 6.968 -8.479 2.106 1.00 10.00 N ATOM 846 CA ASP A 878 5.602 -8.988 1.934 1.00 10.00 C ATOM 847 C ASP A 878 4.605 -7.858 1.662 1.00 10.00 C ATOM 848 O ASP A 878 4.316 -7.046 2.543 1.00 10.00 O ATOM 849 CB ASP A 878 5.169 -9.770 3.173 1.00 10.00 C ATOM 850 CG ASP A 878 3.814 -10.421 2.996 1.00 10.00 C ATOM 851 OD1 ASP A 878 3.736 -11.450 2.296 1.00 10.00 O ATOM 852 OD2 ASP A 878 2.827 -9.915 3.567 1.00 10.00 O ATOM 0 H ASP A 878 7.361 -8.643 3.033 1.00 10.00 H new ATOM 0 HA ASP A 878 5.606 -9.649 1.068 1.00 10.00 H new ATOM 0 HB2 ASP A 878 5.912 -10.536 3.394 1.00 10.00 H new ATOM 0 HB3 ASP A 878 5.138 -9.099 4.031 1.00 10.00 H new ATOM 857 N TYR A 879 4.075 -7.823 0.449 1.00 10.00 N ATOM 858 CA TYR A 879 3.126 -6.782 0.068 1.00 10.00 C ATOM 859 C TYR A 879 1.740 -7.047 0.639 1.00 10.00 C ATOM 860 O TYR A 879 0.980 -6.118 0.903 1.00 10.00 O ATOM 861 CB TYR A 879 3.071 -6.652 -1.457 1.00 10.00 C ATOM 862 CG TYR A 879 2.121 -7.613 -2.151 1.00 10.00 C ATOM 863 CD1 TYR A 879 0.788 -7.276 -2.357 1.00 10.00 C ATOM 864 CD2 TYR A 879 2.555 -8.849 -2.607 1.00 10.00 C ATOM 865 CE1 TYR A 879 -0.080 -8.145 -2.992 1.00 10.00 C ATOM 866 CE2 TYR A 879 1.695 -9.723 -3.245 1.00 10.00 C ATOM 867 CZ TYR A 879 0.378 -9.369 -3.435 1.00 10.00 C ATOM 868 OH TYR A 879 -0.485 -10.251 -4.058 1.00 10.00 O ATOM 0 H TYR A 879 4.283 -8.498 -0.287 1.00 10.00 H new ATOM 0 HA TYR A 879 3.474 -5.839 0.490 1.00 10.00 H new ATOM 0 HB2 TYR A 879 2.780 -5.632 -1.709 1.00 10.00 H new ATOM 0 HB3 TYR A 879 4.074 -6.805 -1.856 1.00 10.00 H new ATOM 0 HD1 TYR A 879 0.424 -6.318 -2.015 1.00 10.00 H new ATOM 0 HD2 TYR A 879 3.586 -9.134 -2.461 1.00 10.00 H new ATOM 0 HE1 TYR A 879 -1.113 -7.867 -3.141 1.00 10.00 H new ATOM 0 HE2 TYR A 879 2.055 -10.680 -3.593 1.00 10.00 H new ATOM 0 HH TYR A 879 -1.090 -9.755 -4.648 1.00 10.00 H new ATOM 878 N MET A 880 1.423 -8.325 0.845 1.00 10.00 N ATOM 879 CA MET A 880 0.121 -8.731 1.376 1.00 10.00 C ATOM 880 C MET A 880 -0.148 -8.052 2.704 1.00 10.00 C ATOM 881 O MET A 880 -1.293 -7.746 3.048 1.00 10.00 O ATOM 882 CB MET A 880 0.078 -10.255 1.532 1.00 10.00 C ATOM 883 CG MET A 880 -1.147 -10.776 2.277 1.00 10.00 C ATOM 884 SD MET A 880 -1.024 -12.533 2.667 1.00 10.00 S ATOM 885 CE MET A 880 0.297 -12.515 3.874 1.00 10.00 C ATOM 0 H MET A 880 2.055 -9.102 0.651 1.00 10.00 H new ATOM 0 HA MET A 880 -0.657 -8.425 0.676 1.00 10.00 H new ATOM 0 HB2 MET A 880 0.108 -10.711 0.542 1.00 10.00 H new ATOM 0 HB3 MET A 880 0.975 -10.580 2.060 1.00 10.00 H new ATOM 0 HG2 MET A 880 -1.274 -10.210 3.200 1.00 10.00 H new ATOM 0 HG3 MET A 880 -2.037 -10.603 1.672 1.00 10.00 H new ATOM 0 HE1 MET A 880 0.229 -13.404 4.501 1.00 10.00 H new ATOM 0 HE2 MET A 880 1.259 -12.505 3.361 1.00 10.00 H new ATOM 0 HE3 MET A 880 0.209 -11.625 4.497 1.00 10.00 H new ATOM 895 N SER A 881 0.926 -7.802 3.462 1.00 10.00 N ATOM 896 CA SER A 881 0.825 -7.137 4.761 1.00 10.00 C ATOM 897 C SER A 881 0.313 -5.705 4.617 1.00 10.00 C ATOM 898 O SER A 881 -0.342 -5.189 5.520 1.00 10.00 O ATOM 899 CB SER A 881 2.175 -7.121 5.462 1.00 10.00 C ATOM 900 OG SER A 881 2.533 -8.415 5.904 1.00 10.00 O ATOM 0 H SER A 881 1.878 -8.053 3.194 1.00 10.00 H new ATOM 0 HA SER A 881 0.112 -7.703 5.360 1.00 10.00 H new ATOM 0 HB2 SER A 881 2.937 -6.742 4.782 1.00 10.00 H new ATOM 0 HB3 SER A 881 2.139 -6.440 6.312 1.00 10.00 H new ATOM 0 HG SER A 881 2.653 -9.004 5.130 1.00 10.00 H new ATOM 906 N PHE A 882 0.633 -5.060 3.493 1.00 10.00 N ATOM 907 CA PHE A 882 0.184 -3.693 3.242 1.00 10.00 C ATOM 908 C PHE A 882 -1.316 -3.660 2.999 1.00 10.00 C ATOM 909 O PHE A 882 -2.036 -2.871 3.608 1.00 10.00 O ATOM 910 CB PHE A 882 0.893 -3.082 2.030 1.00 10.00 C ATOM 911 CG PHE A 882 0.322 -1.745 1.641 1.00 10.00 C ATOM 912 CD1 PHE A 882 0.554 -0.636 2.427 1.00 10.00 C ATOM 913 CD2 PHE A 882 -0.463 -1.604 0.506 1.00 10.00 C ATOM 914 CE1 PHE A 882 0.021 0.595 2.099 1.00 10.00 C ATOM 915 CE2 PHE A 882 -0.999 -0.374 0.167 1.00 10.00 C ATOM 916 CZ PHE A 882 -0.757 0.727 0.965 1.00 10.00 C ATOM 0 H PHE A 882 1.199 -5.462 2.746 1.00 10.00 H new ATOM 0 HA PHE A 882 0.430 -3.107 4.128 1.00 10.00 H new ATOM 0 HB2 PHE A 882 1.954 -2.969 2.253 1.00 10.00 H new ATOM 0 HB3 PHE A 882 0.816 -3.766 1.185 1.00 10.00 H new ATOM 0 HD1 PHE A 882 1.163 -0.732 3.314 1.00 10.00 H new ATOM 0 HD2 PHE A 882 -0.658 -2.463 -0.119 1.00 10.00 H new ATOM 0 HE1 PHE A 882 0.212 1.452 2.727 1.00 10.00 H new ATOM 0 HE2 PHE A 882 -1.606 -0.275 -0.721 1.00 10.00 H new ATOM 0 HZ PHE A 882 -1.175 1.688 0.703 1.00 10.00 H new ATOM 926 N SER A 883 -1.772 -4.515 2.086 1.00 10.00 N ATOM 927 CA SER A 883 -3.184 -4.598 1.745 1.00 10.00 C ATOM 928 C SER A 883 -4.014 -5.067 2.941 1.00 10.00 C ATOM 929 O SER A 883 -5.125 -4.588 3.162 1.00 10.00 O ATOM 930 CB SER A 883 -3.364 -5.548 0.559 1.00 10.00 C ATOM 931 OG SER A 883 -2.275 -5.437 -0.345 1.00 10.00 O ATOM 0 H SER A 883 -1.177 -5.162 1.568 1.00 10.00 H new ATOM 0 HA SER A 883 -3.538 -3.605 1.470 1.00 10.00 H new ATOM 0 HB2 SER A 883 -3.442 -6.574 0.918 1.00 10.00 H new ATOM 0 HB3 SER A 883 -4.296 -5.320 0.042 1.00 10.00 H new ATOM 0 HG SER A 883 -2.219 -6.249 -0.891 1.00 10.00 H new ATOM 937 N THR A 884 -3.462 -5.992 3.721 1.00 10.00 N ATOM 938 CA THR A 884 -4.147 -6.511 4.896 1.00 10.00 C ATOM 939 C THR A 884 -4.299 -5.409 5.938 1.00 10.00 C ATOM 940 O THR A 884 -5.349 -5.261 6.569 1.00 10.00 O ATOM 941 CB THR A 884 -3.371 -7.702 5.508 1.00 10.00 C ATOM 942 OG1 THR A 884 -3.277 -8.778 4.563 1.00 10.00 O ATOM 943 CG2 THR A 884 -4.044 -8.201 6.773 1.00 10.00 C ATOM 0 H THR A 884 -2.540 -6.397 3.558 1.00 10.00 H new ATOM 0 HA THR A 884 -5.132 -6.861 4.589 1.00 10.00 H new ATOM 0 HB THR A 884 -2.370 -7.350 5.759 1.00 10.00 H new ATOM 0 HG1 THR A 884 -2.580 -8.575 3.904 1.00 10.00 H new ATOM 0 HG21 THR A 884 -3.477 -9.038 7.181 1.00 10.00 H new ATOM 0 HG22 THR A 884 -4.082 -7.396 7.507 1.00 10.00 H new ATOM 0 HG23 THR A 884 -5.058 -8.528 6.541 1.00 10.00 H new ATOM 951 N ALA A 885 -3.240 -4.621 6.106 1.00 10.00 N ATOM 952 CA ALA A 885 -3.241 -3.520 7.065 1.00 10.00 C ATOM 953 C ALA A 885 -4.171 -2.394 6.611 1.00 10.00 C ATOM 954 O ALA A 885 -4.714 -1.655 7.432 1.00 10.00 O ATOM 955 CB ALA A 885 -1.825 -2.999 7.255 1.00 10.00 C ATOM 0 H ALA A 885 -2.367 -4.725 5.588 1.00 10.00 H new ATOM 0 HA ALA A 885 -3.614 -3.894 8.019 1.00 10.00 H new ATOM 0 HB1 ALA A 885 -1.833 -2.178 7.972 1.00 10.00 H new ATOM 0 HB2 ALA A 885 -1.189 -3.801 7.629 1.00 10.00 H new ATOM 0 HB3 ALA A 885 -1.437 -2.644 6.300 1.00 10.00 H new ATOM 961 N LEU A 886 -4.344 -2.273 5.294 1.00 10.00 N ATOM 962 CA LEU A 886 -5.212 -1.252 4.711 1.00 10.00 C ATOM 963 C LEU A 886 -6.672 -1.698 4.758 1.00 10.00 C ATOM 964 O LEU A 886 -7.588 -0.871 4.792 1.00 10.00 O ATOM 965 CB LEU A 886 -4.804 -0.980 3.257 1.00 10.00 C ATOM 966 CG LEU A 886 -5.557 0.163 2.572 1.00 10.00 C ATOM 967 CD1 LEU A 886 -4.689 1.410 2.501 1.00 10.00 C ATOM 968 CD2 LEU A 886 -6.013 -0.255 1.181 1.00 10.00 C ATOM 0 H LEU A 886 -3.890 -2.875 4.607 1.00 10.00 H new ATOM 0 HA LEU A 886 -5.104 -0.337 5.294 1.00 10.00 H new ATOM 0 HB2 LEU A 886 -3.737 -0.758 3.231 1.00 10.00 H new ATOM 0 HB3 LEU A 886 -4.954 -1.891 2.678 1.00 10.00 H new ATOM 0 HG LEU A 886 -6.441 0.396 3.166 1.00 10.00 H new ATOM 0 HD11 LEU A 886 -5.242 2.211 2.011 1.00 10.00 H new ATOM 0 HD12 LEU A 886 -4.417 1.722 3.509 1.00 10.00 H new ATOM 0 HD13 LEU A 886 -3.785 1.192 1.932 1.00 10.00 H new ATOM 0 HD21 LEU A 886 -6.546 0.570 0.710 1.00 10.00 H new ATOM 0 HD22 LEU A 886 -5.145 -0.518 0.577 1.00 10.00 H new ATOM 0 HD23 LEU A 886 -6.675 -1.117 1.259 1.00 10.00 H new ATOM 980 N TYR A 887 -6.873 -3.013 4.762 1.00 10.00 N ATOM 981 CA TYR A 887 -8.207 -3.604 4.800 1.00 10.00 C ATOM 982 C TYR A 887 -8.930 -3.262 6.103 1.00 10.00 C ATOM 983 O TYR A 887 -10.147 -3.069 6.116 1.00 10.00 O ATOM 984 CB TYR A 887 -8.105 -5.124 4.642 1.00 10.00 C ATOM 985 CG TYR A 887 -9.309 -5.873 5.166 1.00 10.00 C ATOM 986 CD1 TYR A 887 -9.238 -6.595 6.352 1.00 10.00 C ATOM 987 CD2 TYR A 887 -10.515 -5.853 4.481 1.00 10.00 C ATOM 988 CE1 TYR A 887 -10.335 -7.276 6.837 1.00 10.00 C ATOM 989 CE2 TYR A 887 -11.618 -6.530 4.960 1.00 10.00 C ATOM 990 CZ TYR A 887 -11.523 -7.240 6.137 1.00 10.00 C ATOM 991 OH TYR A 887 -12.619 -7.917 6.617 1.00 10.00 O ATOM 0 H TYR A 887 -6.117 -3.698 4.739 1.00 10.00 H new ATOM 0 HA TYR A 887 -8.786 -3.189 3.975 1.00 10.00 H new ATOM 0 HB2 TYR A 887 -7.971 -5.362 3.587 1.00 10.00 H new ATOM 0 HB3 TYR A 887 -7.215 -5.475 5.163 1.00 10.00 H new ATOM 0 HD1 TYR A 887 -8.309 -6.623 6.902 1.00 10.00 H new ATOM 0 HD2 TYR A 887 -10.592 -5.298 3.557 1.00 10.00 H new ATOM 0 HE1 TYR A 887 -10.264 -7.834 7.759 1.00 10.00 H new ATOM 0 HE2 TYR A 887 -12.550 -6.503 4.415 1.00 10.00 H new ATOM 0 HH TYR A 887 -13.375 -7.789 6.007 1.00 10.00 H new ATOM 1001 N GLY A 888 -8.172 -3.197 7.194 1.00 10.00 N ATOM 1002 CA GLY A 888 -8.750 -2.884 8.486 1.00 10.00 C ATOM 1003 C GLY A 888 -8.933 -1.394 8.696 1.00 10.00 C ATOM 1004 O GLY A 888 -8.001 -0.696 9.095 1.00 10.00 O ATOM 0 H GLY A 888 -7.165 -3.356 7.204 1.00 10.00 H new ATOM 0 HA2 GLY A 888 -9.715 -3.382 8.578 1.00 10.00 H new ATOM 0 HA3 GLY A 888 -8.109 -3.282 9.273 1.00 10.00 H new ATOM 1008 N GLU A 889 -10.139 -0.910 8.418 1.00 10.00 N ATOM 1009 CA GLU A 889 -10.456 0.502 8.583 1.00 10.00 C ATOM 1010 C GLU A 889 -10.883 0.789 10.021 1.00 10.00 C ATOM 1011 O GLU A 889 -11.248 -0.125 10.762 1.00 10.00 O ATOM 1012 CB GLU A 889 -11.561 0.911 7.609 1.00 10.00 C ATOM 1013 CG GLU A 889 -11.481 2.370 7.179 1.00 10.00 C ATOM 1014 CD GLU A 889 -12.658 2.798 6.331 1.00 10.00 C ATOM 1015 OE1 GLU A 889 -12.900 2.164 5.284 1.00 10.00 O ATOM 1016 OE2 GLU A 889 -13.335 3.777 6.712 1.00 10.00 O ATOM 0 H GLU A 889 -10.914 -1.478 8.076 1.00 10.00 H new ATOM 0 HA GLU A 889 -9.563 1.087 8.365 1.00 10.00 H new ATOM 0 HB2 GLU A 889 -11.508 0.276 6.725 1.00 10.00 H new ATOM 0 HB3 GLU A 889 -12.530 0.730 8.074 1.00 10.00 H new ATOM 0 HG2 GLU A 889 -11.429 3.003 8.065 1.00 10.00 H new ATOM 0 HG3 GLU A 889 -10.559 2.529 6.619 1.00 10.00 H new ATOM 1183 N LEU B1653 -5.717 0.175 -11.766 1.00 10.00 N ATOM 1184 CA LEU B1653 -6.750 -0.336 -10.870 1.00 10.00 C ATOM 1185 C LEU B1653 -6.415 -0.016 -9.416 1.00 10.00 C ATOM 1186 O LEU B1653 -7.309 0.199 -8.601 1.00 10.00 O ATOM 1187 CB LEU B1653 -6.907 -1.848 -11.052 1.00 10.00 C ATOM 1188 CG LEU B1653 -7.809 -2.274 -12.211 1.00 10.00 C ATOM 1189 CD1 LEU B1653 -7.795 -3.790 -12.367 1.00 10.00 C ATOM 1190 CD2 LEU B1653 -9.229 -1.768 -11.990 1.00 10.00 C ATOM 0 HA LEU B1653 -7.691 0.152 -11.121 1.00 10.00 H new ATOM 0 HB2 LEU B1653 -5.919 -2.284 -11.202 1.00 10.00 H new ATOM 0 HB3 LEU B1653 -7.305 -2.270 -10.129 1.00 10.00 H new ATOM 0 HG LEU B1653 -7.426 -1.833 -13.131 1.00 10.00 H new ATOM 0 HD11 LEU B1653 -8.442 -4.076 -13.196 1.00 10.00 H new ATOM 0 HD12 LEU B1653 -6.778 -4.126 -12.568 1.00 10.00 H new ATOM 0 HD13 LEU B1653 -8.155 -4.254 -11.449 1.00 10.00 H new ATOM 0 HD21 LEU B1653 -9.860 -2.079 -12.823 1.00 10.00 H new ATOM 0 HD22 LEU B1653 -9.623 -2.183 -11.062 1.00 10.00 H new ATOM 0 HD23 LEU B1653 -9.222 -0.680 -11.927 1.00 10.00 H new ATOM 1202 N ILE B1654 -5.118 0.002 -9.098 1.00 10.00 N ATOM 1203 CA ILE B1654 -4.659 0.326 -7.748 1.00 10.00 C ATOM 1204 C ILE B1654 -4.983 1.782 -7.426 1.00 10.00 C ATOM 1205 O ILE B1654 -5.477 2.103 -6.344 1.00 10.00 O ATOM 1206 CB ILE B1654 -3.138 0.107 -7.589 1.00 10.00 C ATOM 1207 CG1 ILE B1654 -2.754 -1.326 -7.959 1.00 10.00 C ATOM 1208 CG2 ILE B1654 -2.704 0.425 -6.162 1.00 10.00 C ATOM 1209 CD1 ILE B1654 -1.267 -1.604 -7.849 1.00 10.00 C ATOM 0 H ILE B1654 -4.368 -0.204 -9.758 1.00 10.00 H new ATOM 0 HA ILE B1654 -5.177 -0.342 -7.059 1.00 10.00 H new ATOM 0 HB ILE B1654 -2.621 0.783 -8.270 1.00 10.00 H new ATOM 0 HG12 ILE B1654 -3.293 -2.017 -7.311 1.00 10.00 H new ATOM 0 HG13 ILE B1654 -3.078 -1.528 -8.980 1.00 10.00 H new ATOM 0 HG21 ILE B1654 -1.630 0.266 -6.064 1.00 10.00 H new ATOM 0 HG22 ILE B1654 -2.940 1.464 -5.933 1.00 10.00 H new ATOM 0 HG23 ILE B1654 -3.232 -0.228 -5.467 1.00 10.00 H new ATOM 0 HD11 ILE B1654 -1.069 -2.639 -8.126 1.00 10.00 H new ATOM 0 HD12 ILE B1654 -0.722 -0.938 -8.518 1.00 10.00 H new ATOM 0 HD13 ILE B1654 -0.940 -1.434 -6.823 1.00 10.00 H new ATOM 1221 N GLN B1655 -4.696 2.656 -8.392 1.00 10.00 N ATOM 1222 CA GLN B1655 -4.957 4.086 -8.257 1.00 10.00 C ATOM 1223 C GLN B1655 -6.459 4.357 -8.215 1.00 10.00 C ATOM 1224 O GLN B1655 -6.917 5.277 -7.536 1.00 10.00 O ATOM 1225 CB GLN B1655 -4.332 4.846 -9.427 1.00 10.00 C ATOM 1226 CG GLN B1655 -2.814 4.778 -9.462 1.00 10.00 C ATOM 1227 CD GLN B1655 -2.236 5.355 -10.739 1.00 10.00 C ATOM 1228 OE1 GLN B1655 -2.017 4.636 -11.714 1.00 10.00 O ATOM 1229 NE2 GLN B1655 -1.987 6.658 -10.740 1.00 10.00 N ATOM 0 H GLN B1655 -4.278 2.392 -9.285 1.00 10.00 H new ATOM 0 HA GLN B1655 -4.511 4.429 -7.323 1.00 10.00 H new ATOM 0 HB2 GLN B1655 -4.726 4.445 -10.361 1.00 10.00 H new ATOM 0 HB3 GLN B1655 -4.638 5.891 -9.375 1.00 10.00 H new ATOM 0 HG2 GLN B1655 -2.410 5.320 -8.607 1.00 10.00 H new ATOM 0 HG3 GLN B1655 -2.498 3.740 -9.360 1.00 10.00 H new ATOM 0 HE21 GLN B1655 -2.184 7.216 -9.909 1.00 10.00 H new ATOM 0 HE22 GLN B1655 -1.598 7.102 -11.572 1.00 10.00 H new ATOM 1238 N GLU B1656 -7.215 3.544 -8.955 1.00 10.00 N ATOM 1239 CA GLU B1656 -8.669 3.669 -9.010 1.00 10.00 C ATOM 1240 C GLU B1656 -9.292 3.278 -7.673 1.00 10.00 C ATOM 1241 O GLU B1656 -10.315 3.831 -7.271 1.00 10.00 O ATOM 1242 CB GLU B1656 -9.237 2.786 -10.126 1.00 10.00 C ATOM 1243 CG GLU B1656 -10.702 3.060 -10.453 1.00 10.00 C ATOM 1244 CD GLU B1656 -10.946 4.476 -10.945 1.00 10.00 C ATOM 1245 OE1 GLU B1656 -10.890 4.696 -12.175 1.00 10.00 O ATOM 1246 OE2 GLU B1656 -11.193 5.366 -10.102 1.00 10.00 O ATOM 0 H GLU B1656 -6.839 2.788 -9.527 1.00 10.00 H new ATOM 0 HA GLU B1656 -8.915 4.710 -9.220 1.00 10.00 H new ATOM 0 HB2 GLU B1656 -8.642 2.931 -11.027 1.00 10.00 H new ATOM 0 HB3 GLU B1656 -9.130 1.740 -9.837 1.00 10.00 H new ATOM 0 HG2 GLU B1656 -11.037 2.354 -11.213 1.00 10.00 H new ATOM 0 HG3 GLU B1656 -11.307 2.881 -9.564 1.00 10.00 H new ATOM 1253 N TYR B1657 -8.667 2.312 -6.995 1.00 10.00 N ATOM 1254 CA TYR B1657 -9.133 1.849 -5.690 1.00 10.00 C ATOM 1255 C TYR B1657 -8.976 2.951 -4.647 1.00 10.00 C ATOM 1256 O TYR B1657 -9.845 3.142 -3.802 1.00 10.00 O ATOM 1257 CB TYR B1657 -8.347 0.604 -5.263 1.00 10.00 C ATOM 1258 CG TYR B1657 -8.675 0.101 -3.871 1.00 10.00 C ATOM 1259 CD1 TYR B1657 -7.671 -0.094 -2.930 1.00 10.00 C ATOM 1260 CD2 TYR B1657 -9.984 -0.187 -3.500 1.00 10.00 C ATOM 1261 CE1 TYR B1657 -7.960 -0.563 -1.664 1.00 10.00 C ATOM 1262 CE2 TYR B1657 -10.281 -0.652 -2.235 1.00 10.00 C ATOM 1263 CZ TYR B1657 -9.266 -0.839 -1.321 1.00 10.00 C ATOM 1264 OH TYR B1657 -9.555 -1.310 -0.061 1.00 10.00 O ATOM 0 H TYR B1657 -7.832 1.834 -7.333 1.00 10.00 H new ATOM 0 HA TYR B1657 -10.189 1.592 -5.768 1.00 10.00 H new ATOM 0 HB2 TYR B1657 -8.539 -0.195 -5.979 1.00 10.00 H new ATOM 0 HB3 TYR B1657 -7.281 0.828 -5.313 1.00 10.00 H new ATOM 0 HD1 TYR B1657 -6.647 0.125 -3.194 1.00 10.00 H new ATOM 0 HD2 TYR B1657 -10.782 -0.044 -4.214 1.00 10.00 H new ATOM 0 HE1 TYR B1657 -7.167 -0.713 -0.946 1.00 10.00 H new ATOM 0 HE2 TYR B1657 -11.303 -0.868 -1.962 1.00 10.00 H new ATOM 0 HH TYR B1657 -10.521 -1.454 0.021 1.00 10.00 H new ATOM 1274 N PHE B1658 -7.853 3.668 -4.719 1.00 10.00 N ATOM 1275 CA PHE B1658 -7.570 4.765 -3.799 1.00 10.00 C ATOM 1276 C PHE B1658 -8.564 5.912 -3.993 1.00 10.00 C ATOM 1277 O PHE B1658 -8.991 6.548 -3.027 1.00 10.00 O ATOM 1278 CB PHE B1658 -6.146 5.278 -4.017 1.00 10.00 C ATOM 1279 CG PHE B1658 -5.096 4.509 -3.264 1.00 10.00 C ATOM 1280 CD1 PHE B1658 -5.020 4.594 -1.884 1.00 10.00 C ATOM 1281 CD2 PHE B1658 -4.183 3.710 -3.935 1.00 10.00 C ATOM 1282 CE1 PHE B1658 -4.057 3.896 -1.184 1.00 10.00 C ATOM 1283 CE2 PHE B1658 -3.216 3.008 -3.240 1.00 10.00 C ATOM 1284 CZ PHE B1658 -3.153 3.101 -1.863 1.00 10.00 C ATOM 0 H PHE B1658 -7.122 3.505 -5.411 1.00 10.00 H new ATOM 0 HA PHE B1658 -7.669 4.388 -2.781 1.00 10.00 H new ATOM 0 HB2 PHE B1658 -5.916 5.239 -5.082 1.00 10.00 H new ATOM 0 HB3 PHE B1658 -6.099 6.325 -3.718 1.00 10.00 H new ATOM 0 HD1 PHE B1658 -5.723 5.214 -1.349 1.00 10.00 H new ATOM 0 HD2 PHE B1658 -4.228 3.635 -5.011 1.00 10.00 H new ATOM 0 HE1 PHE B1658 -4.010 3.971 -0.108 1.00 10.00 H new ATOM 0 HE2 PHE B1658 -2.511 2.388 -3.773 1.00 10.00 H new ATOM 0 HZ PHE B1658 -2.398 2.553 -1.318 1.00 10.00 H new ATOM 1294 N ARG B1659 -8.918 6.169 -5.252 1.00 10.00 N ATOM 1295 CA ARG B1659 -9.859 7.234 -5.596 1.00 10.00 C ATOM 1296 C ARG B1659 -11.275 6.908 -5.124 1.00 10.00 C ATOM 1297 O ARG B1659 -11.967 7.766 -4.575 1.00 10.00 O ATOM 1298 CB ARG B1659 -9.867 7.467 -7.109 1.00 10.00 C ATOM 1299 CG ARG B1659 -9.003 8.637 -7.555 1.00 10.00 C ATOM 1300 CD ARG B1659 -7.922 8.199 -8.534 1.00 10.00 C ATOM 1301 NE ARG B1659 -8.477 7.474 -9.676 1.00 10.00 N ATOM 1302 CZ ARG B1659 -7.757 7.057 -10.715 1.00 10.00 C ATOM 1303 NH1 ARG B1659 -6.450 7.286 -10.764 1.00 10.00 N ATOM 1304 NH2 ARG B1659 -8.345 6.409 -11.709 1.00 10.00 N ATOM 0 H ARG B1659 -8.564 5.650 -6.056 1.00 10.00 H new ATOM 0 HA ARG B1659 -9.528 8.139 -5.087 1.00 10.00 H new ATOM 0 HB2 ARG B1659 -9.522 6.562 -7.608 1.00 10.00 H new ATOM 0 HB3 ARG B1659 -10.893 7.640 -7.435 1.00 10.00 H new ATOM 0 HG2 ARG B1659 -9.631 9.396 -8.022 1.00 10.00 H new ATOM 0 HG3 ARG B1659 -8.539 9.099 -6.684 1.00 10.00 H new ATOM 0 HD2 ARG B1659 -7.379 9.075 -8.890 1.00 10.00 H new ATOM 0 HD3 ARG B1659 -7.201 7.565 -8.018 1.00 10.00 H new ATOM 0 HE ARG B1659 -9.478 7.276 -9.677 1.00 10.00 H new ATOM 0 HH11 ARG B1659 -5.991 7.785 -10.002 1.00 10.00 H new ATOM 0 HH12 ARG B1659 -5.905 6.963 -11.564 1.00 10.00 H new ATOM 0 HH21 ARG B1659 -9.349 6.230 -11.678 1.00 10.00 H new ATOM 0 HH22 ARG B1659 -7.794 6.089 -12.506 1.00 10.00 H new ATOM 1318 N LYS B1660 -11.699 5.663 -5.343 1.00 10.00 N ATOM 1319 CA LYS B1660 -13.038 5.226 -4.952 1.00 10.00 C ATOM 1320 C LYS B1660 -13.124 4.929 -3.451 1.00 10.00 C ATOM 1321 O LYS B1660 -14.216 4.761 -2.918 1.00 10.00 O ATOM 1322 CB LYS B1660 -13.467 3.995 -5.759 1.00 10.00 C ATOM 1323 CG LYS B1660 -12.764 2.704 -5.353 1.00 10.00 C ATOM 1324 CD LYS B1660 -13.716 1.729 -4.673 1.00 10.00 C ATOM 1325 CE LYS B1660 -14.676 1.101 -5.672 1.00 10.00 C ATOM 1326 NZ LYS B1660 -15.698 0.255 -5.002 1.00 10.00 N ATOM 0 H LYS B1660 -11.134 4.940 -5.789 1.00 10.00 H new ATOM 0 HA LYS B1660 -13.721 6.047 -5.170 1.00 10.00 H new ATOM 0 HB2 LYS B1660 -14.543 3.859 -5.649 1.00 10.00 H new ATOM 0 HB3 LYS B1660 -13.276 4.183 -6.816 1.00 10.00 H new ATOM 0 HG2 LYS B1660 -12.331 2.233 -6.236 1.00 10.00 H new ATOM 0 HG3 LYS B1660 -11.939 2.936 -4.679 1.00 10.00 H new ATOM 0 HD2 LYS B1660 -13.143 0.946 -4.175 1.00 10.00 H new ATOM 0 HD3 LYS B1660 -14.282 2.250 -3.901 1.00 10.00 H new ATOM 0 HE2 LYS B1660 -15.172 1.887 -6.242 1.00 10.00 H new ATOM 0 HE3 LYS B1660 -14.115 0.496 -6.384 1.00 10.00 H new ATOM 0 HZ1 LYS B1660 -16.333 -0.155 -5.717 1.00 10.00 H new ATOM 0 HZ2 LYS B1660 -15.226 -0.510 -4.479 1.00 10.00 H new ATOM 0 HZ3 LYS B1660 -16.251 0.837 -4.341 1.00 10.00 H new ATOM 1340 N PHE B1661 -11.971 4.847 -2.785 1.00 10.00 N ATOM 1341 CA PHE B1661 -11.935 4.592 -1.345 1.00 10.00 C ATOM 1342 C PHE B1661 -12.214 5.880 -0.586 1.00 10.00 C ATOM 1343 O PHE B1661 -12.981 5.893 0.378 1.00 10.00 O ATOM 1344 CB PHE B1661 -10.573 4.033 -0.929 1.00 10.00 C ATOM 1345 CG PHE B1661 -10.434 3.797 0.552 1.00 10.00 C ATOM 1346 CD1 PHE B1661 -10.909 2.630 1.125 1.00 10.00 C ATOM 1347 CD2 PHE B1661 -9.821 4.740 1.366 1.00 10.00 C ATOM 1348 CE1 PHE B1661 -10.776 2.405 2.484 1.00 10.00 C ATOM 1349 CE2 PHE B1661 -9.687 4.520 2.724 1.00 10.00 C ATOM 1350 CZ PHE B1661 -10.165 3.350 3.284 1.00 10.00 C ATOM 0 H PHE B1661 -11.054 4.953 -3.218 1.00 10.00 H new ATOM 0 HA PHE B1661 -12.702 3.855 -1.105 1.00 10.00 H new ATOM 0 HB2 PHE B1661 -10.402 3.093 -1.454 1.00 10.00 H new ATOM 0 HB3 PHE B1661 -9.794 4.724 -1.251 1.00 10.00 H new ATOM 0 HD1 PHE B1661 -11.389 1.887 0.505 1.00 10.00 H new ATOM 0 HD2 PHE B1661 -9.445 5.655 0.933 1.00 10.00 H new ATOM 0 HE1 PHE B1661 -11.150 1.490 2.919 1.00 10.00 H new ATOM 0 HE2 PHE B1661 -9.209 5.262 3.347 1.00 10.00 H new ATOM 0 HZ PHE B1661 -10.061 3.176 4.345 1.00 10.00 H new ATOM 1360 N LYS B1662 -11.575 6.962 -1.029 1.00 10.00 N ATOM 1361 CA LYS B1662 -11.756 8.261 -0.415 1.00 10.00 C ATOM 1362 C LYS B1662 -13.183 8.761 -0.626 1.00 10.00 C ATOM 1363 O LYS B1662 -13.821 9.226 0.317 1.00 10.00 O ATOM 1364 CB LYS B1662 -10.731 9.257 -0.971 1.00 10.00 C ATOM 1365 CG LYS B1662 -9.302 8.941 -0.553 1.00 10.00 C ATOM 1366 CD LYS B1662 -8.300 9.954 -1.089 1.00 10.00 C ATOM 1367 CE LYS B1662 -6.921 9.717 -0.492 1.00 10.00 C ATOM 1368 NZ LYS B1662 -6.895 9.944 0.982 1.00 10.00 N ATOM 0 H LYS B1662 -10.926 6.956 -1.816 1.00 10.00 H new ATOM 0 HA LYS B1662 -11.592 8.168 0.659 1.00 10.00 H new ATOM 0 HB2 LYS B1662 -10.792 9.262 -2.059 1.00 10.00 H new ATOM 0 HB3 LYS B1662 -10.988 10.261 -0.633 1.00 10.00 H new ATOM 0 HG2 LYS B1662 -9.242 8.917 0.535 1.00 10.00 H new ATOM 0 HG3 LYS B1662 -9.034 7.946 -0.909 1.00 10.00 H new ATOM 0 HD2 LYS B1662 -8.248 9.881 -2.175 1.00 10.00 H new ATOM 0 HD3 LYS B1662 -8.635 10.964 -0.853 1.00 10.00 H new ATOM 0 HE2 LYS B1662 -6.606 8.696 -0.706 1.00 10.00 H new ATOM 0 HE3 LYS B1662 -6.201 10.380 -0.972 1.00 10.00 H new ATOM 0 HZ1 LYS B1662 -5.914 10.090 1.294 1.00 10.00 H new ATOM 0 HZ2 LYS B1662 -7.460 10.786 1.214 1.00 10.00 H new ATOM 0 HZ3 LYS B1662 -7.293 9.115 1.468 1.00 10.00 H new ATOM 1382 N LYS B1663 -13.693 8.623 -1.853 1.00 10.00 N ATOM 1383 CA LYS B1663 -15.053 9.058 -2.185 1.00 10.00 C ATOM 1384 C LYS B1663 -16.103 8.206 -1.472 1.00 10.00 C ATOM 1385 O LYS B1663 -17.201 8.680 -1.179 1.00 10.00 O ATOM 1386 CB LYS B1663 -15.280 8.993 -3.693 1.00 10.00 C ATOM 1387 CG LYS B1663 -14.446 9.987 -4.478 1.00 10.00 C ATOM 1388 CD LYS B1663 -14.622 9.791 -5.973 1.00 10.00 C ATOM 1389 CE LYS B1663 -13.740 10.739 -6.768 1.00 10.00 C ATOM 1390 NZ LYS B1663 -12.293 10.524 -6.488 1.00 10.00 N ATOM 0 H LYS B1663 -13.183 8.212 -2.635 1.00 10.00 H new ATOM 0 HA LYS B1663 -15.159 10.088 -1.846 1.00 10.00 H new ATOM 0 HB2 LYS B1663 -15.053 7.986 -4.043 1.00 10.00 H new ATOM 0 HB3 LYS B1663 -16.335 9.173 -3.901 1.00 10.00 H new ATOM 0 HG2 LYS B1663 -14.733 11.002 -4.205 1.00 10.00 H new ATOM 0 HG3 LYS B1663 -13.395 9.872 -4.215 1.00 10.00 H new ATOM 0 HD2 LYS B1663 -14.381 8.761 -6.237 1.00 10.00 H new ATOM 0 HD3 LYS B1663 -15.666 9.953 -6.242 1.00 10.00 H new ATOM 0 HE2 LYS B1663 -13.927 10.601 -7.833 1.00 10.00 H new ATOM 0 HE3 LYS B1663 -14.006 11.768 -6.528 1.00 10.00 H new ATOM 0 HZ1 LYS B1663 -11.770 10.469 -7.385 1.00 10.00 H new ATOM 0 HZ2 LYS B1663 -11.927 11.317 -5.923 1.00 10.00 H new ATOM 0 HZ3 LYS B1663 -12.170 9.636 -5.960 1.00 10.00 H new ATOM 1404 N ARG B1664 -15.760 6.943 -1.206 1.00 10.00 N ATOM 1405 CA ARG B1664 -16.663 6.026 -0.513 1.00 10.00 C ATOM 1406 C ARG B1664 -16.773 6.406 0.960 1.00 10.00 C ATOM 1407 O ARG B1664 -17.775 6.119 1.614 1.00 10.00 O ATOM 1408 CB ARG B1664 -16.163 4.583 -0.647 1.00 10.00 C ATOM 1409 CG ARG B1664 -17.218 3.526 -0.340 1.00 10.00 C ATOM 1410 CD ARG B1664 -17.112 3.023 1.097 1.00 10.00 C ATOM 1411 NE ARG B1664 -15.877 2.268 1.329 1.00 10.00 N ATOM 1412 CZ ARG B1664 -15.184 2.298 2.470 1.00 10.00 C ATOM 1413 NH1 ARG B1664 -15.595 3.040 3.491 1.00 10.00 N ATOM 1414 NH2 ARG B1664 -14.068 1.592 2.589 1.00 10.00 N ATOM 0 H ARG B1664 -14.861 6.533 -1.461 1.00 10.00 H new ATOM 0 HA ARG B1664 -17.650 6.099 -0.971 1.00 10.00 H new ATOM 0 HB2 ARG B1664 -15.796 4.430 -1.662 1.00 10.00 H new ATOM 0 HB3 ARG B1664 -15.315 4.440 0.023 1.00 10.00 H new ATOM 0 HG2 ARG B1664 -18.211 3.944 -0.507 1.00 10.00 H new ATOM 0 HG3 ARG B1664 -17.105 2.688 -1.028 1.00 10.00 H new ATOM 0 HD2 ARG B1664 -17.152 3.871 1.781 1.00 10.00 H new ATOM 0 HD3 ARG B1664 -17.971 2.391 1.323 1.00 10.00 H new ATOM 0 HE ARG B1664 -15.525 1.683 0.571 1.00 10.00 H new ATOM 0 HH11 ARG B1664 -16.447 3.594 3.408 1.00 10.00 H new ATOM 0 HH12 ARG B1664 -15.058 3.056 4.358 1.00 10.00 H new ATOM 0 HH21 ARG B1664 -13.738 1.025 1.808 1.00 10.00 H new ATOM 0 HH22 ARG B1664 -13.540 1.616 3.461 1.00 10.00 H new ATOM 1428 N LYS B1665 -15.725 7.049 1.472 1.00 10.00 N ATOM 1429 CA LYS B1665 -15.689 7.493 2.860 1.00 10.00 C ATOM 1430 C LYS B1665 -16.573 8.725 3.054 1.00 10.00 C ATOM 1431 O LYS B1665 -17.101 8.960 4.142 1.00 10.00 O ATOM 1432 CB LYS B1665 -14.247 7.808 3.278 1.00 10.00 C ATOM 1433 CG LYS B1665 -14.090 8.105 4.761 1.00 10.00 C ATOM 1434 CD LYS B1665 -14.532 6.927 5.610 1.00 10.00 C ATOM 1435 CE LYS B1665 -14.383 7.227 7.089 1.00 10.00 C ATOM 1436 NZ LYS B1665 -14.936 6.139 7.935 1.00 10.00 N ATOM 0 H LYS B1665 -14.885 7.274 0.940 1.00 10.00 H new ATOM 0 HA LYS B1665 -16.072 6.689 3.489 1.00 10.00 H new ATOM 0 HB2 LYS B1665 -13.610 6.963 3.017 1.00 10.00 H new ATOM 0 HB3 LYS B1665 -13.891 8.665 2.706 1.00 10.00 H new ATOM 0 HG2 LYS B1665 -13.048 8.342 4.978 1.00 10.00 H new ATOM 0 HG3 LYS B1665 -14.678 8.985 5.022 1.00 10.00 H new ATOM 0 HD2 LYS B1665 -15.572 6.686 5.389 1.00 10.00 H new ATOM 0 HD3 LYS B1665 -13.940 6.049 5.353 1.00 10.00 H new ATOM 0 HE2 LYS B1665 -13.329 7.370 7.326 1.00 10.00 H new ATOM 0 HE3 LYS B1665 -14.892 8.162 7.322 1.00 10.00 H new ATOM 0 HZ1 LYS B1665 -14.724 6.334 8.934 1.00 10.00 H new ATOM 0 HZ2 LYS B1665 -15.966 6.087 7.803 1.00 10.00 H new ATOM 0 HZ3 LYS B1665 -14.505 5.233 7.661 1.00 10.00 H new ATOM 1450 N GLU B1666 -16.730 9.507 1.986 1.00 10.00 N ATOM 1451 CA GLU B1666 -17.553 10.705 2.032 1.00 10.00 C ATOM 1452 C GLU B1666 -19.030 10.330 2.031 1.00 10.00 C ATOM 1453 O GLU B1666 -19.887 11.107 2.458 1.00 10.00 O ATOM 1454 CB GLU B1666 -17.236 11.612 0.840 1.00 10.00 C ATOM 1455 CG GLU B1666 -15.752 11.911 0.675 1.00 10.00 C ATOM 1456 CD GLU B1666 -15.460 12.897 -0.437 1.00 10.00 C ATOM 1457 OE1 GLU B1666 -15.078 14.046 -0.126 1.00 10.00 O ATOM 1458 OE2 GLU B1666 -15.594 12.535 -1.626 1.00 10.00 O ATOM 0 H GLU B1666 -16.296 9.328 1.080 1.00 10.00 H new ATOM 0 HA GLU B1666 -17.330 11.246 2.951 1.00 10.00 H new ATOM 0 HB2 GLU B1666 -17.606 11.142 -0.071 1.00 10.00 H new ATOM 0 HB3 GLU B1666 -17.776 12.552 0.956 1.00 10.00 H new ATOM 0 HG2 GLU B1666 -15.361 12.306 1.613 1.00 10.00 H new ATOM 0 HG3 GLU B1666 -15.221 10.980 0.475 1.00 10.00 H new ATOM 1465 N GLN B1667 -19.322 9.133 1.534 1.00 10.00 N ATOM 1466 CA GLN B1667 -20.689 8.645 1.477 1.00 10.00 C ATOM 1467 C GLN B1667 -21.055 7.910 2.766 1.00 10.00 C ATOM 1468 O GLN B1667 -22.102 8.163 3.362 1.00 10.00 O ATOM 1469 CB GLN B1667 -20.879 7.729 0.267 1.00 10.00 C ATOM 1470 CG GLN B1667 -20.906 8.470 -1.057 1.00 10.00 C ATOM 1471 CD GLN B1667 -21.979 9.535 -1.087 1.00 10.00 C ATOM 1472 OE1 GLN B1667 -21.715 10.706 -0.821 1.00 10.00 O ATOM 1473 NE2 GLN B1667 -23.207 9.134 -1.375 1.00 10.00 N ATOM 0 H GLN B1667 -18.627 8.484 1.165 1.00 10.00 H new ATOM 0 HA GLN B1667 -21.354 9.502 1.372 1.00 10.00 H new ATOM 0 HB2 GLN B1667 -20.073 6.995 0.247 1.00 10.00 H new ATOM 0 HB3 GLN B1667 -21.811 7.176 0.383 1.00 10.00 H new ATOM 0 HG2 GLN B1667 -19.934 8.929 -1.235 1.00 10.00 H new ATOM 0 HG3 GLN B1667 -21.077 7.760 -1.867 1.00 10.00 H new ATOM 0 HE21 GLN B1667 -23.386 8.153 -1.591 1.00 10.00 H new ATOM 0 HE22 GLN B1667 -23.975 9.806 -1.381 1.00 10.00 H new ATOM 1482 N GLY B1668 -20.195 6.999 3.189 1.00 10.00 N ATOM 1483 CA GLY B1668 -20.442 6.259 4.407 1.00 10.00 C ATOM 1484 C GLY B1668 -20.424 4.775 4.155 1.00 10.00 C ATOM 1485 O GLY B1668 -21.120 4.032 4.871 1.00 10.00 O ATOM 1486 OXT GLY B1668 -19.723 4.347 3.220 1.00 10.00 O ATOM 0 H GLY B1668 -19.328 6.758 2.709 1.00 10.00 H new ATOM 0 HA2 GLY B1668 -19.686 6.514 5.150 1.00 10.00 H new ATOM 0 HA3 GLY B1668 -21.407 6.548 4.822 1.00 10.00 H new