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 867 TYR OH : rot 178:sc= 0.0174 USER MOD Set 1.2: A 872 SER OG : rot 13:sc= -1.77! USER MOD Set 2.1: A 841 ASN : amide:sc= 1.34 K(o=0.91,f=-0.68) USER MOD Set 2.2: A 880 MET CE :methyl 144:sc= -0.433 (180deg=-1.75!) USER MOD Single : A 830 MET CE :methyl -160:sc= -0.346 (180deg=-1.07) USER MOD Single : A 832 SER OG : rot 150:sc= 0 USER MOD Single : A 834 LYS NZ :NH3+ -140:sc= 1.28 (180deg=1.04) USER MOD Single : A 840 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 842 TYR OH : rot 30:sc= -0.441 USER MOD Single : A 844 THR OG1 : rot -170:sc= -0.0569 USER MOD Single : A 845 MET CE :methyl 157:sc= -0.337 (180deg=-1.32!) USER MOD Single : A 856 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.15) USER MOD Single : A 859 TYR OH : rot 180:sc= 0 USER MOD Single : A 860 CYS SG : rot 73:sc= 1.04 USER MOD Single : A 864 MET CE :methyl -152:sc= -0.36 (180deg=-2.28!) USER MOD Single : A 868 THR OG1 : rot 65:sc= 1.18 USER MOD Single : A 879 TYR OH : rot -155:sc= 0.219 USER MOD Single : A 881 SER OG : rot 84:sc= 1.24 USER MOD Single : A 883 SER OG : rot 174:sc= 1.52 USER MOD Single : A 884 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 887 TYR OH : rot 180:sc= 0 USER MOD Single : B1655 GLN : amide:sc= -0.087 X(o=-0.087,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+ -167:sc= -0.0143 (180deg=-0.179) USER MOD Single : B1663 LYS NZ :NH3+ -141:sc= 0.342 (180deg=0.0895) USER MOD Single : B1665 LYS NZ :NH3+ 161:sc= 1.21 (180deg=0.536) USER MOD Single : B1667 GLN : amide:sc= -0.0878 X(o=-0.088,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 94 N VAL A 829 -6.896 -5.066 -6.708 1.00 10.00 N ATOM 95 CA VAL A 829 -5.546 -4.538 -6.534 1.00 10.00 C ATOM 96 C VAL A 829 -4.571 -5.651 -6.164 1.00 10.00 C ATOM 97 O VAL A 829 -3.434 -5.669 -6.623 1.00 10.00 O ATOM 98 CB VAL A 829 -5.531 -3.450 -5.436 1.00 10.00 C ATOM 99 CG1 VAL A 829 -4.138 -3.263 -4.847 1.00 10.00 C ATOM 100 CG2 VAL A 829 -6.048 -2.137 -5.997 1.00 10.00 C ATOM 0 HA VAL A 829 -5.233 -4.098 -7.481 1.00 10.00 H new ATOM 0 HB VAL A 829 -6.187 -3.780 -4.630 1.00 10.00 H new ATOM 0 HG11 VAL A 829 -4.168 -2.490 -4.079 1.00 10.00 H new ATOM 0 HG12 VAL A 829 -3.801 -4.201 -4.405 1.00 10.00 H new ATOM 0 HG13 VAL A 829 -3.447 -2.964 -5.635 1.00 10.00 H new ATOM 0 HG21 VAL A 829 -6.034 -1.377 -5.216 1.00 10.00 H new ATOM 0 HG22 VAL A 829 -5.413 -1.820 -6.824 1.00 10.00 H new ATOM 0 HG23 VAL A 829 -7.069 -2.271 -6.354 1.00 10.00 H new ATOM 110 N MET A 830 -5.031 -6.578 -5.340 1.00 10.00 N ATOM 111 CA MET A 830 -4.212 -7.699 -4.906 1.00 10.00 C ATOM 112 C MET A 830 -3.798 -8.551 -6.101 1.00 10.00 C ATOM 113 O MET A 830 -2.639 -8.931 -6.211 1.00 10.00 O ATOM 114 CB MET A 830 -4.958 -8.541 -3.870 1.00 10.00 C ATOM 115 CG MET A 830 -4.788 -8.035 -2.451 1.00 10.00 C ATOM 116 SD MET A 830 -3.085 -8.142 -1.862 1.00 10.00 S ATOM 117 CE MET A 830 -2.754 -9.885 -2.109 1.00 10.00 C ATOM 0 H MET A 830 -5.976 -6.576 -4.955 1.00 10.00 H new ATOM 0 HA MET A 830 -3.309 -7.307 -4.437 1.00 10.00 H new ATOM 0 HB2 MET A 830 -6.019 -8.554 -4.119 1.00 10.00 H new ATOM 0 HB3 MET A 830 -4.604 -9.571 -3.926 1.00 10.00 H new ATOM 0 HG2 MET A 830 -5.120 -6.998 -2.399 1.00 10.00 H new ATOM 0 HG3 MET A 830 -5.433 -8.610 -1.787 1.00 10.00 H new ATOM 0 HE1 MET A 830 -1.910 -10.187 -1.489 1.00 10.00 H new ATOM 0 HE2 MET A 830 -3.634 -10.465 -1.832 1.00 10.00 H new ATOM 0 HE3 MET A 830 -2.516 -10.065 -3.157 1.00 10.00 H new ATOM 127 N ALA A 831 -4.751 -8.844 -6.991 1.00 10.00 N ATOM 128 CA ALA A 831 -4.475 -9.628 -8.192 1.00 10.00 C ATOM 129 C ALA A 831 -3.495 -8.886 -9.090 1.00 10.00 C ATOM 130 O ALA A 831 -2.531 -9.464 -9.597 1.00 10.00 O ATOM 131 CB ALA A 831 -5.768 -9.906 -8.939 1.00 10.00 C ATOM 0 H ALA A 831 -5.723 -8.547 -6.899 1.00 10.00 H new ATOM 0 HA ALA A 831 -4.027 -10.578 -7.899 1.00 10.00 H new ATOM 0 HB1 ALA A 831 -5.553 -10.491 -9.833 1.00 10.00 H new ATOM 0 HB2 ALA A 831 -6.448 -10.464 -8.295 1.00 10.00 H new ATOM 0 HB3 ALA A 831 -6.233 -8.963 -9.226 1.00 10.00 H new ATOM 137 N SER A 832 -3.748 -7.601 -9.283 1.00 10.00 N ATOM 138 CA SER A 832 -2.881 -6.770 -10.091 1.00 10.00 C ATOM 139 C SER A 832 -1.494 -6.705 -9.457 1.00 10.00 C ATOM 140 O SER A 832 -0.485 -6.754 -10.157 1.00 10.00 O ATOM 141 CB SER A 832 -3.502 -5.383 -10.228 1.00 10.00 C ATOM 142 OG SER A 832 -4.826 -5.479 -10.726 1.00 10.00 O ATOM 0 H SER A 832 -4.551 -7.113 -8.887 1.00 10.00 H new ATOM 0 HA SER A 832 -2.771 -7.196 -11.088 1.00 10.00 H new ATOM 0 HB2 SER A 832 -3.507 -4.883 -9.260 1.00 10.00 H new ATOM 0 HB3 SER A 832 -2.898 -4.772 -10.899 1.00 10.00 H new ATOM 0 HG SER A 832 -5.361 -4.735 -10.379 1.00 10.00 H new ATOM 148 N PHE A 833 -1.456 -6.592 -8.132 1.00 10.00 N ATOM 149 CA PHE A 833 -0.196 -6.586 -7.402 1.00 10.00 C ATOM 150 C PHE A 833 0.504 -7.908 -7.654 1.00 10.00 C ATOM 151 O PHE A 833 1.674 -7.942 -8.026 1.00 10.00 O ATOM 152 CB PHE A 833 -0.429 -6.382 -5.903 1.00 10.00 C ATOM 153 CG PHE A 833 0.336 -5.217 -5.335 1.00 10.00 C ATOM 154 CD1 PHE A 833 1.718 -5.170 -5.433 1.00 10.00 C ATOM 155 CD2 PHE A 833 -0.325 -4.167 -4.714 1.00 10.00 C ATOM 156 CE1 PHE A 833 2.431 -4.096 -4.915 1.00 10.00 C ATOM 157 CE2 PHE A 833 0.378 -3.092 -4.198 1.00 10.00 C ATOM 158 CZ PHE A 833 1.756 -3.057 -4.302 1.00 10.00 C ATOM 0 H PHE A 833 -2.285 -6.503 -7.544 1.00 10.00 H new ATOM 0 HA PHE A 833 0.423 -5.759 -7.749 1.00 10.00 H new ATOM 0 HB2 PHE A 833 -1.494 -6.230 -5.725 1.00 10.00 H new ATOM 0 HB3 PHE A 833 -0.143 -7.289 -5.371 1.00 10.00 H new ATOM 0 HD1 PHE A 833 2.247 -5.978 -5.918 1.00 10.00 H new ATOM 0 HD2 PHE A 833 -1.402 -4.189 -4.632 1.00 10.00 H new ATOM 0 HE1 PHE A 833 3.508 -4.073 -4.991 1.00 10.00 H new ATOM 0 HE2 PHE A 833 -0.149 -2.282 -3.715 1.00 10.00 H new ATOM 0 HZ PHE A 833 2.306 -2.217 -3.904 1.00 10.00 H new ATOM 168 N LYS A 834 -0.227 -8.990 -7.412 1.00 10.00 N ATOM 169 CA LYS A 834 0.255 -10.338 -7.668 1.00 10.00 C ATOM 170 C LYS A 834 0.919 -10.437 -9.041 1.00 10.00 C ATOM 171 O LYS A 834 2.020 -10.972 -9.172 1.00 10.00 O ATOM 172 CB LYS A 834 -0.915 -11.316 -7.605 1.00 10.00 C ATOM 173 CG LYS A 834 -0.532 -12.696 -7.113 1.00 10.00 C ATOM 174 CD LYS A 834 -1.715 -13.408 -6.485 1.00 10.00 C ATOM 175 CE LYS A 834 -1.319 -14.758 -5.899 1.00 10.00 C ATOM 176 NZ LYS A 834 -1.381 -15.858 -6.908 1.00 10.00 N ATOM 0 H LYS A 834 -1.173 -8.955 -7.032 1.00 10.00 H new ATOM 0 HA LYS A 834 0.996 -10.585 -6.908 1.00 10.00 H new ATOM 0 HB2 LYS A 834 -1.683 -10.907 -6.949 1.00 10.00 H new ATOM 0 HB3 LYS A 834 -1.357 -11.404 -8.598 1.00 10.00 H new ATOM 0 HG2 LYS A 834 -0.149 -13.287 -7.945 1.00 10.00 H new ATOM 0 HG3 LYS A 834 0.274 -12.613 -6.384 1.00 10.00 H new ATOM 0 HD2 LYS A 834 -2.141 -12.782 -5.701 1.00 10.00 H new ATOM 0 HD3 LYS A 834 -2.493 -13.552 -7.235 1.00 10.00 H new ATOM 0 HE2 LYS A 834 -0.308 -14.694 -5.497 1.00 10.00 H new ATOM 0 HE3 LYS A 834 -1.979 -14.996 -5.065 1.00 10.00 H new ATOM 0 HZ1 LYS A 834 -1.772 -16.714 -6.465 1.00 10.00 H new ATOM 0 HZ2 LYS A 834 -1.990 -15.569 -7.700 1.00 10.00 H new ATOM 0 HZ3 LYS A 834 -0.424 -16.058 -7.262 1.00 10.00 H new ATOM 190 N ILE A 835 0.242 -9.926 -10.062 1.00 10.00 N ATOM 191 CA ILE A 835 0.754 -9.940 -11.421 1.00 10.00 C ATOM 192 C ILE A 835 2.022 -9.100 -11.556 1.00 10.00 C ATOM 193 O ILE A 835 2.943 -9.459 -12.294 1.00 10.00 O ATOM 194 CB ILE A 835 -0.331 -9.406 -12.379 1.00 10.00 C ATOM 195 CG1 ILE A 835 -1.413 -10.464 -12.574 1.00 10.00 C ATOM 196 CG2 ILE A 835 0.265 -8.990 -13.719 1.00 10.00 C ATOM 197 CD1 ILE A 835 -2.622 -9.967 -13.330 1.00 10.00 C ATOM 0 H ILE A 835 -0.676 -9.491 -9.968 1.00 10.00 H new ATOM 0 HA ILE A 835 1.010 -10.968 -11.678 1.00 10.00 H new ATOM 0 HB ILE A 835 -0.777 -8.518 -11.932 1.00 10.00 H new ATOM 0 HG12 ILE A 835 -0.986 -11.313 -13.108 1.00 10.00 H new ATOM 0 HG13 ILE A 835 -1.731 -10.829 -11.598 1.00 10.00 H new ATOM 0 HG21 ILE A 835 -0.527 -8.619 -14.370 1.00 10.00 H new ATOM 0 HG22 ILE A 835 1.003 -8.204 -13.561 1.00 10.00 H new ATOM 0 HG23 ILE A 835 0.745 -9.850 -14.186 1.00 10.00 H new ATOM 0 HD11 ILE A 835 -3.347 -10.775 -13.429 1.00 10.00 H new ATOM 0 HD12 ILE A 835 -3.075 -9.138 -12.787 1.00 10.00 H new ATOM 0 HD13 ILE A 835 -2.318 -9.629 -14.321 1.00 10.00 H new ATOM 209 N LEU A 836 2.071 -7.990 -10.837 1.00 10.00 N ATOM 210 CA LEU A 836 3.221 -7.094 -10.897 1.00 10.00 C ATOM 211 C LEU A 836 4.447 -7.698 -10.230 1.00 10.00 C ATOM 212 O LEU A 836 5.567 -7.560 -10.720 1.00 10.00 O ATOM 213 CB LEU A 836 2.892 -5.767 -10.224 1.00 10.00 C ATOM 214 CG LEU A 836 2.617 -4.600 -11.176 1.00 10.00 C ATOM 215 CD1 LEU A 836 1.429 -4.902 -12.081 1.00 10.00 C ATOM 216 CD2 LEU A 836 2.367 -3.331 -10.384 1.00 10.00 C ATOM 0 H LEU A 836 1.330 -7.686 -10.205 1.00 10.00 H new ATOM 0 HA LEU A 836 3.447 -6.933 -11.951 1.00 10.00 H new ATOM 0 HB2 LEU A 836 2.019 -5.908 -9.587 1.00 10.00 H new ATOM 0 HB3 LEU A 836 3.721 -5.494 -9.571 1.00 10.00 H new ATOM 0 HG LEU A 836 3.494 -4.458 -11.807 1.00 10.00 H new ATOM 0 HD11 LEU A 836 1.255 -4.057 -12.747 1.00 10.00 H new ATOM 0 HD12 LEU A 836 1.639 -5.793 -12.672 1.00 10.00 H new ATOM 0 HD13 LEU A 836 0.541 -5.072 -11.472 1.00 10.00 H new ATOM 0 HD21 LEU A 836 2.172 -2.506 -11.070 1.00 10.00 H new ATOM 0 HD22 LEU A 836 1.505 -3.473 -9.733 1.00 10.00 H new ATOM 0 HD23 LEU A 836 3.244 -3.101 -9.779 1.00 10.00 H new ATOM 228 N ALA A 837 4.226 -8.375 -9.120 1.00 10.00 N ATOM 229 CA ALA A 837 5.311 -8.973 -8.367 1.00 10.00 C ATOM 230 C ALA A 837 5.711 -10.339 -8.935 1.00 10.00 C ATOM 231 O ALA A 837 6.722 -10.913 -8.536 1.00 10.00 O ATOM 232 CB ALA A 837 4.915 -9.084 -6.903 1.00 10.00 C ATOM 0 H ALA A 837 3.301 -8.525 -8.718 1.00 10.00 H new ATOM 0 HA ALA A 837 6.185 -8.328 -8.452 1.00 10.00 H new ATOM 0 HB1 ALA A 837 5.732 -9.534 -6.338 1.00 10.00 H new ATOM 0 HB2 ALA A 837 4.704 -8.091 -6.507 1.00 10.00 H new ATOM 0 HB3 ALA A 837 4.025 -9.707 -6.813 1.00 10.00 H new ATOM 238 N GLY A 838 4.920 -10.849 -9.877 1.00 10.00 N ATOM 239 CA GLY A 838 5.203 -12.147 -10.488 1.00 10.00 C ATOM 240 C GLY A 838 4.773 -13.306 -9.607 1.00 10.00 C ATOM 241 O GLY A 838 5.570 -14.199 -9.316 1.00 10.00 O ATOM 0 H GLY A 838 4.083 -10.387 -10.232 1.00 10.00 H new ATOM 0 HA2 GLY A 838 4.690 -12.214 -11.448 1.00 10.00 H new ATOM 0 HA3 GLY A 838 6.271 -12.225 -10.691 1.00 10.00 H new ATOM 245 N ASP A 839 3.514 -13.268 -9.178 1.00 10.00 N ATOM 246 CA ASP A 839 2.905 -14.286 -8.302 1.00 10.00 C ATOM 247 C ASP A 839 3.504 -14.282 -6.885 1.00 10.00 C ATOM 248 O ASP A 839 2.897 -14.808 -5.950 1.00 10.00 O ATOM 249 CB ASP A 839 2.988 -15.697 -8.900 1.00 10.00 C ATOM 250 CG ASP A 839 1.935 -16.619 -8.318 1.00 10.00 C ATOM 251 OD1 ASP A 839 0.729 -16.345 -8.504 1.00 10.00 O ATOM 252 OD2 ASP A 839 2.303 -17.626 -7.674 1.00 10.00 O ATOM 0 H ASP A 839 2.870 -12.518 -9.430 1.00 10.00 H new ATOM 0 HA ASP A 839 1.854 -14.008 -8.225 1.00 10.00 H new ATOM 0 HB2 ASP A 839 2.864 -15.641 -9.981 1.00 10.00 H new ATOM 0 HB3 ASP A 839 3.978 -16.113 -8.714 1.00 10.00 H new ATOM 257 N LYS A 840 4.686 -13.684 -6.722 1.00 10.00 N ATOM 258 CA LYS A 840 5.342 -13.614 -5.416 1.00 10.00 C ATOM 259 C LYS A 840 4.514 -12.781 -4.464 1.00 10.00 C ATOM 260 O LYS A 840 3.958 -11.757 -4.853 1.00 10.00 O ATOM 261 CB LYS A 840 6.744 -13.000 -5.519 1.00 10.00 C ATOM 262 CG LYS A 840 7.839 -14.005 -5.820 1.00 10.00 C ATOM 263 CD LYS A 840 9.183 -13.322 -6.051 1.00 10.00 C ATOM 264 CE LYS A 840 9.270 -12.744 -7.452 1.00 10.00 C ATOM 265 NZ LYS A 840 10.527 -11.986 -7.670 1.00 10.00 N ATOM 0 H LYS A 840 5.208 -13.241 -7.478 1.00 10.00 H new ATOM 0 HA LYS A 840 5.435 -14.634 -5.043 1.00 10.00 H new ATOM 0 HB2 LYS A 840 6.739 -12.239 -6.299 1.00 10.00 H new ATOM 0 HB3 LYS A 840 6.977 -12.494 -4.582 1.00 10.00 H new ATOM 0 HG2 LYS A 840 7.926 -14.708 -4.992 1.00 10.00 H new ATOM 0 HG3 LYS A 840 7.569 -14.584 -6.703 1.00 10.00 H new ATOM 0 HD2 LYS A 840 9.321 -12.528 -5.318 1.00 10.00 H new ATOM 0 HD3 LYS A 840 9.990 -14.039 -5.900 1.00 10.00 H new ATOM 0 HE2 LYS A 840 9.204 -13.552 -8.181 1.00 10.00 H new ATOM 0 HE3 LYS A 840 8.417 -12.088 -7.626 1.00 10.00 H new ATOM 0 HZ1 LYS A 840 10.542 -11.610 -8.640 1.00 10.00 H new ATOM 0 HZ2 LYS A 840 10.579 -11.199 -6.993 1.00 10.00 H new ATOM 0 HZ3 LYS A 840 11.342 -12.617 -7.531 1.00 10.00 H new ATOM 279 N ASN A 841 4.411 -13.230 -3.227 1.00 10.00 N ATOM 280 CA ASN A 841 3.656 -12.497 -2.221 1.00 10.00 C ATOM 281 C ASN A 841 4.461 -11.292 -1.739 1.00 10.00 C ATOM 282 O ASN A 841 3.938 -10.394 -1.076 1.00 10.00 O ATOM 283 CB ASN A 841 3.290 -13.417 -1.056 1.00 10.00 C ATOM 284 CG ASN A 841 1.865 -13.209 -0.556 1.00 10.00 C ATOM 285 OD1 ASN A 841 0.901 -13.667 -1.173 1.00 10.00 O ATOM 286 ND2 ASN A 841 1.720 -12.550 0.580 1.00 10.00 N ATOM 0 H ASN A 841 4.837 -14.094 -2.893 1.00 10.00 H new ATOM 0 HA ASN A 841 2.729 -12.134 -2.665 1.00 10.00 H new ATOM 0 HB2 ASN A 841 3.412 -14.454 -1.368 1.00 10.00 H new ATOM 0 HB3 ASN A 841 3.986 -13.247 -0.234 1.00 10.00 H new ATOM 0 HD21 ASN A 841 0.789 -12.407 0.972 1.00 10.00 H new ATOM 0 HD22 ASN A 841 2.539 -12.184 1.065 1.00 10.00 H new ATOM 293 N TYR A 842 5.733 -11.281 -2.101 1.00 10.00 N ATOM 294 CA TYR A 842 6.637 -10.204 -1.746 1.00 10.00 C ATOM 295 C TYR A 842 7.146 -9.516 -3.011 1.00 10.00 C ATOM 296 O TYR A 842 7.544 -10.187 -3.966 1.00 10.00 O ATOM 297 CB TYR A 842 7.819 -10.740 -0.931 1.00 10.00 C ATOM 298 CG TYR A 842 7.934 -12.246 -0.917 1.00 10.00 C ATOM 299 CD1 TYR A 842 8.689 -12.912 -1.868 1.00 10.00 C ATOM 300 CD2 TYR A 842 7.301 -12.994 0.058 1.00 10.00 C ATOM 301 CE1 TYR A 842 8.806 -14.286 -1.858 1.00 10.00 C ATOM 302 CE2 TYR A 842 7.409 -14.371 0.077 1.00 10.00 C ATOM 303 CZ TYR A 842 8.168 -15.014 -0.882 1.00 10.00 C ATOM 304 OH TYR A 842 8.293 -16.388 -0.861 1.00 10.00 O ATOM 0 H TYR A 842 6.167 -12.022 -2.651 1.00 10.00 H new ATOM 0 HA TYR A 842 6.095 -9.481 -1.136 1.00 10.00 H new ATOM 0 HB2 TYR A 842 8.742 -10.321 -1.333 1.00 10.00 H new ATOM 0 HB3 TYR A 842 7.728 -10.385 0.096 1.00 10.00 H new ATOM 0 HD1 TYR A 842 9.197 -12.344 -2.633 1.00 10.00 H new ATOM 0 HD2 TYR A 842 6.714 -12.495 0.815 1.00 10.00 H new ATOM 0 HE1 TYR A 842 9.395 -14.787 -2.612 1.00 10.00 H new ATOM 0 HE2 TYR A 842 6.902 -14.943 0.839 1.00 10.00 H new ATOM 0 HH TYR A 842 9.163 -16.643 -1.233 1.00 10.00 H new ATOM 314 N ILE A 843 7.144 -8.189 -3.010 1.00 10.00 N ATOM 315 CA ILE A 843 7.596 -7.417 -4.165 1.00 10.00 C ATOM 316 C ILE A 843 8.844 -6.631 -3.799 1.00 10.00 C ATOM 317 O ILE A 843 9.072 -6.339 -2.623 1.00 10.00 O ATOM 318 CB ILE A 843 6.490 -6.456 -4.679 1.00 10.00 C ATOM 319 CG1 ILE A 843 6.866 -5.918 -6.064 1.00 10.00 C ATOM 320 CG2 ILE A 843 6.259 -5.305 -3.693 1.00 10.00 C ATOM 321 CD1 ILE A 843 5.748 -5.194 -6.776 1.00 10.00 C ATOM 0 H ILE A 843 6.834 -7.622 -2.221 1.00 10.00 H new ATOM 0 HA ILE A 843 7.826 -8.115 -4.970 1.00 10.00 H new ATOM 0 HB ILE A 843 5.557 -7.014 -4.761 1.00 10.00 H new ATOM 0 HG12 ILE A 843 7.713 -5.240 -5.959 1.00 10.00 H new ATOM 0 HG13 ILE A 843 7.198 -6.749 -6.686 1.00 10.00 H new ATOM 0 HG21 ILE A 843 5.480 -4.647 -4.078 1.00 10.00 H new ATOM 0 HG22 ILE A 843 5.950 -5.708 -2.729 1.00 10.00 H new ATOM 0 HG23 ILE A 843 7.183 -4.740 -3.571 1.00 10.00 H new ATOM 0 HD11 ILE A 843 6.100 -4.847 -7.747 1.00 10.00 H new ATOM 0 HD12 ILE A 843 4.906 -5.872 -6.916 1.00 10.00 H new ATOM 0 HD13 ILE A 843 5.430 -4.340 -6.179 1.00 10.00 H new ATOM 333 N THR A 844 9.651 -6.295 -4.794 1.00 10.00 N ATOM 334 CA THR A 844 10.870 -5.563 -4.559 1.00 10.00 C ATOM 335 C THR A 844 10.580 -4.145 -4.091 1.00 10.00 C ATOM 336 O THR A 844 9.696 -3.465 -4.622 1.00 10.00 O ATOM 337 CB THR A 844 11.735 -5.523 -5.819 1.00 10.00 C ATOM 338 OG1 THR A 844 11.102 -6.269 -6.872 1.00 10.00 O ATOM 339 CG2 THR A 844 13.098 -6.113 -5.527 1.00 10.00 C ATOM 0 H THR A 844 9.476 -6.522 -5.773 1.00 10.00 H new ATOM 0 HA THR A 844 11.415 -6.085 -3.772 1.00 10.00 H new ATOM 0 HB THR A 844 11.852 -4.486 -6.134 1.00 10.00 H new ATOM 0 HG1 THR A 844 11.726 -6.373 -7.620 1.00 10.00 H new ATOM 0 HG21 THR A 844 13.709 -6.081 -6.429 1.00 10.00 H new ATOM 0 HG22 THR A 844 13.583 -5.536 -4.740 1.00 10.00 H new ATOM 0 HG23 THR A 844 12.985 -7.147 -5.202 1.00 10.00 H new ATOM 347 N MET A 845 11.347 -3.708 -3.109 1.00 10.00 N ATOM 348 CA MET A 845 11.197 -2.389 -2.523 1.00 10.00 C ATOM 349 C MET A 845 11.318 -1.290 -3.574 1.00 10.00 C ATOM 350 O MET A 845 10.455 -0.418 -3.683 1.00 10.00 O ATOM 351 CB MET A 845 12.257 -2.207 -1.437 1.00 10.00 C ATOM 352 CG MET A 845 12.284 -0.816 -0.830 1.00 10.00 C ATOM 353 SD MET A 845 13.655 -0.580 0.319 1.00 10.00 S ATOM 354 CE MET A 845 15.053 -1.081 -0.686 1.00 10.00 C ATOM 0 H MET A 845 12.096 -4.262 -2.693 1.00 10.00 H new ATOM 0 HA MET A 845 10.201 -2.310 -2.088 1.00 10.00 H new ATOM 0 HB2 MET A 845 12.080 -2.935 -0.645 1.00 10.00 H new ATOM 0 HB3 MET A 845 13.237 -2.427 -1.859 1.00 10.00 H new ATOM 0 HG2 MET A 845 12.354 -0.078 -1.629 1.00 10.00 H new ATOM 0 HG3 MET A 845 11.344 -0.634 -0.309 1.00 10.00 H new ATOM 0 HE1 MET A 845 15.963 -0.625 -0.296 1.00 10.00 H new ATOM 0 HE2 MET A 845 15.150 -2.166 -0.659 1.00 10.00 H new ATOM 0 HE3 MET A 845 14.896 -0.757 -1.715 1.00 10.00 H new ATOM 364 N ASP A 846 12.372 -1.362 -4.371 1.00 10.00 N ATOM 365 CA ASP A 846 12.616 -0.357 -5.396 1.00 10.00 C ATOM 366 C ASP A 846 11.647 -0.503 -6.557 1.00 10.00 C ATOM 367 O ASP A 846 11.391 0.458 -7.276 1.00 10.00 O ATOM 368 CB ASP A 846 14.055 -0.422 -5.906 1.00 10.00 C ATOM 369 CG ASP A 846 14.598 0.959 -6.223 1.00 10.00 C ATOM 370 OD1 ASP A 846 14.596 1.345 -7.409 1.00 10.00 O ATOM 371 OD2 ASP A 846 15.029 1.666 -5.283 1.00 10.00 O ATOM 0 H ASP A 846 13.071 -2.103 -4.329 1.00 10.00 H new ATOM 0 HA ASP A 846 12.456 0.617 -4.933 1.00 10.00 H new ATOM 0 HB2 ASP A 846 14.686 -0.898 -5.156 1.00 10.00 H new ATOM 0 HB3 ASP A 846 14.097 -1.044 -6.800 1.00 10.00 H new ATOM 376 N GLU A 847 11.104 -1.698 -6.736 1.00 10.00 N ATOM 377 CA GLU A 847 10.142 -1.937 -7.810 1.00 10.00 C ATOM 378 C GLU A 847 8.855 -1.175 -7.545 1.00 10.00 C ATOM 379 O GLU A 847 8.379 -0.426 -8.392 1.00 10.00 O ATOM 380 CB GLU A 847 9.826 -3.433 -7.961 1.00 10.00 C ATOM 381 CG GLU A 847 10.535 -4.110 -9.119 1.00 10.00 C ATOM 382 CD GLU A 847 9.934 -3.761 -10.469 1.00 10.00 C ATOM 383 OE1 GLU A 847 9.859 -2.564 -10.810 1.00 10.00 O ATOM 384 OE2 GLU A 847 9.542 -4.691 -11.205 1.00 10.00 O ATOM 0 H GLU A 847 11.309 -2.513 -6.158 1.00 10.00 H new ATOM 0 HA GLU A 847 10.593 -1.584 -8.737 1.00 10.00 H new ATOM 0 HB2 GLU A 847 10.096 -3.944 -7.037 1.00 10.00 H new ATOM 0 HB3 GLU A 847 8.750 -3.553 -8.089 1.00 10.00 H new ATOM 0 HG2 GLU A 847 11.587 -3.824 -9.111 1.00 10.00 H new ATOM 0 HG3 GLU A 847 10.497 -5.190 -8.979 1.00 10.00 H new ATOM 391 N LEU A 848 8.301 -1.347 -6.352 1.00 10.00 N ATOM 392 CA LEU A 848 7.066 -0.659 -5.996 1.00 10.00 C ATOM 393 C LEU A 848 7.330 0.841 -5.926 1.00 10.00 C ATOM 394 O LEU A 848 6.432 1.656 -6.117 1.00 10.00 O ATOM 395 CB LEU A 848 6.497 -1.184 -4.663 1.00 10.00 C ATOM 396 CG LEU A 848 7.248 -0.729 -3.408 1.00 10.00 C ATOM 397 CD1 LEU A 848 6.434 0.289 -2.630 1.00 10.00 C ATOM 398 CD2 LEU A 848 7.602 -1.911 -2.523 1.00 10.00 C ATOM 0 H LEU A 848 8.681 -1.949 -5.622 1.00 10.00 H new ATOM 0 HA LEU A 848 6.317 -0.856 -6.763 1.00 10.00 H new ATOM 0 HB2 LEU A 848 5.458 -0.866 -4.580 1.00 10.00 H new ATOM 0 HB3 LEU A 848 6.496 -2.274 -4.691 1.00 10.00 H new ATOM 0 HG LEU A 848 8.175 -0.256 -3.731 1.00 10.00 H new ATOM 0 HD11 LEU A 848 6.988 0.597 -1.743 1.00 10.00 H new ATOM 0 HD12 LEU A 848 6.243 1.159 -3.258 1.00 10.00 H new ATOM 0 HD13 LEU A 848 5.486 -0.157 -2.329 1.00 10.00 H new ATOM 0 HD21 LEU A 848 8.134 -1.558 -1.640 1.00 10.00 H new ATOM 0 HD22 LEU A 848 6.689 -2.422 -2.216 1.00 10.00 H new ATOM 0 HD23 LEU A 848 8.237 -2.603 -3.077 1.00 10.00 H new ATOM 410 N ARG A 849 8.580 1.185 -5.649 1.00 10.00 N ATOM 411 CA ARG A 849 9.004 2.572 -5.579 1.00 10.00 C ATOM 412 C ARG A 849 9.111 3.174 -6.981 1.00 10.00 C ATOM 413 O ARG A 849 8.948 4.381 -7.166 1.00 10.00 O ATOM 414 CB ARG A 849 10.345 2.653 -4.844 1.00 10.00 C ATOM 415 CG ARG A 849 10.830 4.072 -4.618 1.00 10.00 C ATOM 416 CD ARG A 849 11.704 4.171 -3.381 1.00 10.00 C ATOM 417 NE ARG A 849 12.917 3.365 -3.483 1.00 10.00 N ATOM 418 CZ ARG A 849 13.624 2.959 -2.427 1.00 10.00 C ATOM 419 NH1 ARG A 849 13.226 3.269 -1.191 1.00 10.00 N ATOM 420 NH2 ARG A 849 14.748 2.279 -2.608 1.00 10.00 N ATOM 0 H ARG A 849 9.324 0.512 -5.467 1.00 10.00 H new ATOM 0 HA ARG A 849 8.262 3.150 -5.028 1.00 10.00 H new ATOM 0 HB2 ARG A 849 10.252 2.152 -3.880 1.00 10.00 H new ATOM 0 HB3 ARG A 849 11.096 2.108 -5.416 1.00 10.00 H new ATOM 0 HG2 ARG A 849 11.392 4.409 -5.489 1.00 10.00 H new ATOM 0 HG3 ARG A 849 9.974 4.738 -4.514 1.00 10.00 H new ATOM 0 HD2 ARG A 849 11.978 5.213 -3.217 1.00 10.00 H new ATOM 0 HD3 ARG A 849 11.132 3.851 -2.510 1.00 10.00 H new ATOM 0 HE ARG A 849 13.242 3.098 -4.412 1.00 10.00 H new ATOM 0 HH11 ARG A 849 12.378 3.818 -1.051 1.00 10.00 H new ATOM 0 HH12 ARG A 849 13.770 2.956 -0.387 1.00 10.00 H new ATOM 0 HH21 ARG A 849 15.070 2.068 -3.553 1.00 10.00 H new ATOM 0 HH22 ARG A 849 15.291 1.967 -1.803 1.00 10.00 H new ATOM 434 N ARG A 850 9.378 2.329 -7.963 1.00 10.00 N ATOM 435 CA ARG A 850 9.484 2.775 -9.337 1.00 10.00 C ATOM 436 C ARG A 850 8.098 2.902 -9.938 1.00 10.00 C ATOM 437 O ARG A 850 7.857 3.746 -10.803 1.00 10.00 O ATOM 438 CB ARG A 850 10.329 1.797 -10.142 1.00 10.00 C ATOM 439 CG ARG A 850 11.649 2.396 -10.616 1.00 10.00 C ATOM 440 CD ARG A 850 12.563 2.729 -9.444 1.00 10.00 C ATOM 441 NE ARG A 850 12.594 4.155 -9.146 1.00 10.00 N ATOM 442 CZ ARG A 850 13.454 4.707 -8.304 1.00 10.00 C ATOM 443 NH1 ARG A 850 14.338 3.955 -7.648 1.00 10.00 N ATOM 444 NH2 ARG A 850 13.449 6.017 -8.141 1.00 10.00 N ATOM 0 H ARG A 850 9.525 1.328 -7.831 1.00 10.00 H new ATOM 0 HA ARG A 850 9.971 3.750 -9.363 1.00 10.00 H new ATOM 0 HB2 ARG A 850 10.534 0.917 -9.533 1.00 10.00 H new ATOM 0 HB3 ARG A 850 9.758 1.460 -11.007 1.00 10.00 H new ATOM 0 HG2 ARG A 850 12.150 1.694 -11.282 1.00 10.00 H new ATOM 0 HG3 ARG A 850 11.453 3.299 -11.194 1.00 10.00 H new ATOM 0 HD2 ARG A 850 12.229 2.184 -8.561 1.00 10.00 H new ATOM 0 HD3 ARG A 850 13.573 2.386 -9.667 1.00 10.00 H new ATOM 0 HE ARG A 850 11.917 4.760 -9.611 1.00 10.00 H new ATOM 0 HH11 ARG A 850 14.356 2.945 -7.793 1.00 10.00 H new ATOM 0 HH12 ARG A 850 14.997 4.389 -7.001 1.00 10.00 H new ATOM 0 HH21 ARG A 850 12.787 6.593 -8.661 1.00 10.00 H new ATOM 0 HH22 ARG A 850 14.107 6.453 -7.495 1.00 10.00 H new ATOM 458 N GLU A 851 7.193 2.066 -9.445 1.00 10.00 N ATOM 459 CA GLU A 851 5.812 2.057 -9.899 1.00 10.00 C ATOM 460 C GLU A 851 5.017 3.149 -9.191 1.00 10.00 C ATOM 461 O GLU A 851 4.646 4.157 -9.794 1.00 10.00 O ATOM 462 CB GLU A 851 5.171 0.687 -9.641 1.00 10.00 C ATOM 463 CG GLU A 851 5.764 -0.438 -10.483 1.00 10.00 C ATOM 464 CD GLU A 851 5.908 -0.073 -11.948 1.00 10.00 C ATOM 465 OE1 GLU A 851 5.046 0.656 -12.479 1.00 10.00 O ATOM 466 OE2 GLU A 851 6.891 -0.522 -12.584 1.00 10.00 O ATOM 0 H GLU A 851 7.397 1.377 -8.721 1.00 10.00 H new ATOM 0 HA GLU A 851 5.800 2.251 -10.972 1.00 10.00 H new ATOM 0 HB2 GLU A 851 5.283 0.437 -8.586 1.00 10.00 H new ATOM 0 HB3 GLU A 851 4.102 0.753 -9.841 1.00 10.00 H new ATOM 0 HG2 GLU A 851 6.742 -0.706 -10.084 1.00 10.00 H new ATOM 0 HG3 GLU A 851 5.131 -1.321 -10.395 1.00 10.00 H new ATOM 473 N LEU A 852 4.780 2.960 -7.901 1.00 10.00 N ATOM 474 CA LEU A 852 4.028 3.929 -7.107 1.00 10.00 C ATOM 475 C LEU A 852 4.855 5.190 -6.862 1.00 10.00 C ATOM 476 O LEU A 852 6.081 5.122 -6.794 1.00 10.00 O ATOM 477 CB LEU A 852 3.618 3.336 -5.754 1.00 10.00 C ATOM 478 CG LEU A 852 2.487 2.315 -5.803 1.00 10.00 C ATOM 479 CD1 LEU A 852 2.670 1.263 -4.720 1.00 10.00 C ATOM 480 CD2 LEU A 852 1.143 3.010 -5.628 1.00 10.00 C ATOM 0 H LEU A 852 5.097 2.144 -7.378 1.00 10.00 H new ATOM 0 HA LEU A 852 3.133 4.184 -7.674 1.00 10.00 H new ATOM 0 HB2 LEU A 852 4.491 2.864 -5.304 1.00 10.00 H new ATOM 0 HB3 LEU A 852 3.320 4.151 -5.094 1.00 10.00 H new ATOM 0 HG LEU A 852 2.510 1.823 -6.776 1.00 10.00 H new ATOM 0 HD11 LEU A 852 1.853 0.543 -4.771 1.00 10.00 H new ATOM 0 HD12 LEU A 852 3.618 0.747 -4.870 1.00 10.00 H new ATOM 0 HD13 LEU A 852 2.670 1.744 -3.742 1.00 10.00 H new ATOM 0 HD21 LEU A 852 0.343 2.270 -5.665 1.00 10.00 H new ATOM 0 HD22 LEU A 852 1.120 3.521 -4.666 1.00 10.00 H new ATOM 0 HD23 LEU A 852 1.002 3.737 -6.428 1.00 10.00 H new ATOM 492 N PRO A 853 4.192 6.362 -6.750 1.00 10.00 N ATOM 493 CA PRO A 853 4.872 7.636 -6.477 1.00 10.00 C ATOM 494 C PRO A 853 5.725 7.550 -5.206 1.00 10.00 C ATOM 495 O PRO A 853 5.290 6.951 -4.221 1.00 10.00 O ATOM 496 CB PRO A 853 3.727 8.645 -6.284 1.00 10.00 C ATOM 497 CG PRO A 853 2.457 7.865 -6.278 1.00 10.00 C ATOM 498 CD PRO A 853 2.740 6.530 -6.916 1.00 10.00 C ATOM 0 HA PRO A 853 5.553 7.915 -7.281 1.00 10.00 H new ATOM 0 HB2 PRO A 853 3.848 9.192 -5.349 1.00 10.00 H new ATOM 0 HB3 PRO A 853 3.723 9.382 -7.087 1.00 10.00 H new ATOM 0 HG2 PRO A 853 2.093 7.733 -5.259 1.00 10.00 H new ATOM 0 HG3 PRO A 853 1.679 8.395 -6.828 1.00 10.00 H new ATOM 0 HD2 PRO A 853 2.186 5.728 -6.428 1.00 10.00 H new ATOM 0 HD3 PRO A 853 2.454 6.521 -7.968 1.00 10.00 H new ATOM 506 N PRO A 854 6.939 8.148 -5.213 1.00 10.00 N ATOM 507 CA PRO A 854 7.871 8.122 -4.075 1.00 10.00 C ATOM 508 C PRO A 854 7.194 8.251 -2.712 1.00 10.00 C ATOM 509 O PRO A 854 7.436 7.441 -1.822 1.00 10.00 O ATOM 510 CB PRO A 854 8.776 9.320 -4.345 1.00 10.00 C ATOM 511 CG PRO A 854 8.821 9.436 -5.832 1.00 10.00 C ATOM 512 CD PRO A 854 7.511 8.889 -6.357 1.00 10.00 C ATOM 0 HA PRO A 854 8.392 7.166 -4.012 1.00 10.00 H new ATOM 0 HB2 PRO A 854 8.378 10.227 -3.889 1.00 10.00 H new ATOM 0 HB3 PRO A 854 9.772 9.165 -3.930 1.00 10.00 H new ATOM 0 HG2 PRO A 854 8.954 10.475 -6.134 1.00 10.00 H new ATOM 0 HG3 PRO A 854 9.663 8.876 -6.237 1.00 10.00 H new ATOM 0 HD2 PRO A 854 6.848 9.690 -6.683 1.00 10.00 H new ATOM 0 HD3 PRO A 854 7.668 8.236 -7.215 1.00 10.00 H new ATOM 520 N ASP A 855 6.335 9.256 -2.564 1.00 10.00 N ATOM 521 CA ASP A 855 5.618 9.495 -1.308 1.00 10.00 C ATOM 522 C ASP A 855 4.789 8.283 -0.895 1.00 10.00 C ATOM 523 O ASP A 855 4.815 7.856 0.262 1.00 10.00 O ATOM 524 CB ASP A 855 4.699 10.711 -1.449 1.00 10.00 C ATOM 525 CG ASP A 855 5.460 12.015 -1.535 1.00 10.00 C ATOM 526 OD1 ASP A 855 6.145 12.244 -2.555 1.00 10.00 O ATOM 527 OD2 ASP A 855 5.371 12.824 -0.587 1.00 10.00 O ATOM 0 H ASP A 855 6.115 9.924 -3.303 1.00 10.00 H new ATOM 0 HA ASP A 855 6.364 9.681 -0.535 1.00 10.00 H new ATOM 0 HB2 ASP A 855 4.085 10.595 -2.342 1.00 10.00 H new ATOM 0 HB3 ASP A 855 4.020 10.748 -0.597 1.00 10.00 H new ATOM 532 N GLN A 856 4.081 7.732 -1.861 1.00 10.00 N ATOM 533 CA GLN A 856 3.224 6.574 -1.625 1.00 10.00 C ATOM 534 C GLN A 856 4.072 5.327 -1.388 1.00 10.00 C ATOM 535 O GLN A 856 3.817 4.557 -0.465 1.00 10.00 O ATOM 536 CB GLN A 856 2.280 6.353 -2.809 1.00 10.00 C ATOM 537 CG GLN A 856 0.911 7.011 -2.654 1.00 10.00 C ATOM 538 CD GLN A 856 0.988 8.458 -2.206 1.00 10.00 C ATOM 539 OE1 GLN A 856 0.959 8.750 -1.011 1.00 10.00 O ATOM 540 NE2 GLN A 856 1.075 9.371 -3.162 1.00 10.00 N ATOM 0 H GLN A 856 4.079 8.066 -2.825 1.00 10.00 H new ATOM 0 HA GLN A 856 2.624 6.766 -0.735 1.00 10.00 H new ATOM 0 HB2 GLN A 856 2.754 6.736 -3.713 1.00 10.00 H new ATOM 0 HB3 GLN A 856 2.141 5.281 -2.952 1.00 10.00 H new ATOM 0 HG2 GLN A 856 0.381 6.960 -3.605 1.00 10.00 H new ATOM 0 HG3 GLN A 856 0.323 6.445 -1.931 1.00 10.00 H new ATOM 0 HE21 GLN A 856 1.096 9.084 -4.141 1.00 10.00 H new ATOM 0 HE22 GLN A 856 1.121 10.361 -2.919 1.00 10.00 H new ATOM 549 N ALA A 857 5.070 5.137 -2.229 1.00 10.00 N ATOM 550 CA ALA A 857 5.962 3.994 -2.102 1.00 10.00 C ATOM 551 C ALA A 857 6.616 3.942 -0.730 1.00 10.00 C ATOM 552 O ALA A 857 6.529 2.925 -0.053 1.00 10.00 O ATOM 553 CB ALA A 857 7.025 4.017 -3.181 1.00 10.00 C ATOM 0 H ALA A 857 5.286 5.758 -3.009 1.00 10.00 H new ATOM 0 HA ALA A 857 5.355 3.097 -2.222 1.00 10.00 H new ATOM 0 HB1 ALA A 857 7.680 3.153 -3.065 1.00 10.00 H new ATOM 0 HB2 ALA A 857 6.549 3.983 -4.161 1.00 10.00 H new ATOM 0 HB3 ALA A 857 7.612 4.931 -3.094 1.00 10.00 H new ATOM 559 N GLU A 858 7.251 5.039 -0.315 1.00 10.00 N ATOM 560 CA GLU A 858 7.922 5.099 0.987 1.00 10.00 C ATOM 561 C GLU A 858 6.936 4.760 2.108 1.00 10.00 C ATOM 562 O GLU A 858 7.271 4.052 3.061 1.00 10.00 O ATOM 563 CB GLU A 858 8.528 6.489 1.208 1.00 10.00 C ATOM 564 CG GLU A 858 9.765 6.757 0.359 1.00 10.00 C ATOM 565 CD GLU A 858 10.933 5.872 0.738 1.00 10.00 C ATOM 566 OE1 GLU A 858 11.556 5.272 -0.169 1.00 10.00 O ATOM 567 OE2 GLU A 858 11.237 5.775 1.944 1.00 10.00 O ATOM 0 H GLU A 858 7.315 5.898 -0.860 1.00 10.00 H new ATOM 0 HA GLU A 858 8.727 4.364 1.000 1.00 10.00 H new ATOM 0 HB2 GLU A 858 7.774 7.244 0.986 1.00 10.00 H new ATOM 0 HB3 GLU A 858 8.789 6.599 2.261 1.00 10.00 H new ATOM 0 HG2 GLU A 858 9.521 6.600 -0.692 1.00 10.00 H new ATOM 0 HG3 GLU A 858 10.056 7.802 0.466 1.00 10.00 H new ATOM 574 N TYR A 859 5.715 5.259 1.973 1.00 10.00 N ATOM 575 CA TYR A 859 4.664 4.995 2.957 1.00 10.00 C ATOM 576 C TYR A 859 4.305 3.514 2.967 1.00 10.00 C ATOM 577 O TYR A 859 4.139 2.910 4.026 1.00 10.00 O ATOM 578 CB TYR A 859 3.412 5.822 2.661 1.00 10.00 C ATOM 579 CG TYR A 859 2.580 6.080 3.890 1.00 10.00 C ATOM 580 CD1 TYR A 859 2.990 7.019 4.817 1.00 10.00 C ATOM 581 CD2 TYR A 859 1.403 5.384 4.134 1.00 10.00 C ATOM 582 CE1 TYR A 859 2.258 7.275 5.951 1.00 10.00 C ATOM 583 CE2 TYR A 859 0.658 5.634 5.271 1.00 10.00 C ATOM 584 CZ TYR A 859 1.096 6.581 6.178 1.00 10.00 C ATOM 585 OH TYR A 859 0.368 6.840 7.313 1.00 10.00 O ATOM 0 H TYR A 859 5.424 5.849 1.194 1.00 10.00 H new ATOM 0 HA TYR A 859 5.047 5.281 3.937 1.00 10.00 H new ATOM 0 HB2 TYR A 859 3.707 6.775 2.221 1.00 10.00 H new ATOM 0 HB3 TYR A 859 2.805 5.302 1.919 1.00 10.00 H new ATOM 0 HD1 TYR A 859 3.907 7.564 4.646 1.00 10.00 H new ATOM 0 HD2 TYR A 859 1.066 4.640 3.428 1.00 10.00 H new ATOM 0 HE1 TYR A 859 2.595 8.018 6.659 1.00 10.00 H new ATOM 0 HE2 TYR A 859 -0.260 5.093 5.450 1.00 10.00 H new ATOM 0 HH TYR A 859 -0.428 6.269 7.329 1.00 10.00 H new ATOM 595 N CYS A 860 4.173 2.945 1.771 1.00 10.00 N ATOM 596 CA CYS A 860 3.849 1.529 1.614 1.00 10.00 C ATOM 597 C CYS A 860 4.980 0.661 2.133 1.00 10.00 C ATOM 598 O CYS A 860 4.742 -0.366 2.761 1.00 10.00 O ATOM 599 CB CYS A 860 3.563 1.236 0.134 1.00 10.00 C ATOM 600 SG CYS A 860 2.144 2.139 -0.518 1.00 10.00 S ATOM 0 H CYS A 860 4.286 3.447 0.890 1.00 10.00 H new ATOM 0 HA CYS A 860 2.960 1.294 2.199 1.00 10.00 H new ATOM 0 HB2 CYS A 860 4.445 1.487 -0.455 1.00 10.00 H new ATOM 0 HB3 CYS A 860 3.391 0.167 0.010 1.00 10.00 H new ATOM 0 HG CYS A 860 2.459 3.391 -0.670 1.00 10.00 H new ATOM 606 N ILE A 861 6.211 1.106 1.905 1.00 10.00 N ATOM 607 CA ILE A 861 7.393 0.377 2.350 1.00 10.00 C ATOM 608 C ILE A 861 7.387 0.241 3.870 1.00 10.00 C ATOM 609 O ILE A 861 7.696 -0.824 4.405 1.00 10.00 O ATOM 610 CB ILE A 861 8.692 1.079 1.874 1.00 10.00 C ATOM 611 CG1 ILE A 861 8.801 0.974 0.348 1.00 10.00 C ATOM 612 CG2 ILE A 861 9.947 0.513 2.560 1.00 10.00 C ATOM 613 CD1 ILE A 861 9.907 1.810 -0.259 1.00 10.00 C ATOM 0 H ILE A 861 6.417 1.974 1.411 1.00 10.00 H new ATOM 0 HA ILE A 861 7.367 -0.619 1.907 1.00 10.00 H new ATOM 0 HB ILE A 861 8.633 2.129 2.160 1.00 10.00 H new ATOM 0 HG12 ILE A 861 8.962 -0.070 0.078 1.00 10.00 H new ATOM 0 HG13 ILE A 861 7.851 1.275 -0.093 1.00 10.00 H new ATOM 0 HG21 ILE A 861 10.830 1.037 2.193 1.00 10.00 H new ATOM 0 HG22 ILE A 861 9.865 0.650 3.638 1.00 10.00 H new ATOM 0 HG23 ILE A 861 10.036 -0.550 2.335 1.00 10.00 H new ATOM 0 HD11 ILE A 861 9.912 1.676 -1.341 1.00 10.00 H new ATOM 0 HD12 ILE A 861 9.739 2.861 -0.024 1.00 10.00 H new ATOM 0 HD13 ILE A 861 10.867 1.496 0.150 1.00 10.00 H new ATOM 625 N ALA A 862 6.991 1.308 4.560 1.00 10.00 N ATOM 626 CA ALA A 862 6.940 1.298 6.016 1.00 10.00 C ATOM 627 C ALA A 862 5.750 0.499 6.512 1.00 10.00 C ATOM 628 O ALA A 862 5.775 -0.055 7.607 1.00 10.00 O ATOM 629 CB ALA A 862 6.858 2.715 6.567 1.00 10.00 C ATOM 0 H ALA A 862 6.702 2.188 4.133 1.00 10.00 H new ATOM 0 HA ALA A 862 7.858 0.829 6.371 1.00 10.00 H new ATOM 0 HB1 ALA A 862 6.821 2.680 7.656 1.00 10.00 H new ATOM 0 HB2 ALA A 862 7.735 3.279 6.251 1.00 10.00 H new ATOM 0 HB3 ALA A 862 5.959 3.201 6.189 1.00 10.00 H new ATOM 635 N ARG A 863 4.712 0.437 5.691 1.00 10.00 N ATOM 636 CA ARG A 863 3.489 -0.262 6.050 1.00 10.00 C ATOM 637 C ARG A 863 3.495 -1.725 5.568 1.00 10.00 C ATOM 638 O ARG A 863 2.450 -2.371 5.504 1.00 10.00 O ATOM 639 CB ARG A 863 2.281 0.476 5.458 1.00 10.00 C ATOM 640 CG ARG A 863 1.941 1.803 6.134 1.00 10.00 C ATOM 641 CD ARG A 863 1.337 1.602 7.515 1.00 10.00 C ATOM 642 NE ARG A 863 -0.095 1.886 7.529 1.00 10.00 N ATOM 643 CZ ARG A 863 -0.938 1.412 8.447 1.00 10.00 C ATOM 644 NH1 ARG A 863 -0.488 0.634 9.416 1.00 10.00 N ATOM 645 NH2 ARG A 863 -2.224 1.713 8.395 1.00 10.00 N ATOM 0 H ARG A 863 4.694 0.866 4.766 1.00 10.00 H new ATOM 0 HA ARG A 863 3.422 -0.276 7.138 1.00 10.00 H new ATOM 0 HB2 ARG A 863 2.470 0.662 4.401 1.00 10.00 H new ATOM 0 HB3 ARG A 863 1.411 -0.178 5.516 1.00 10.00 H new ATOM 0 HG2 ARG A 863 2.843 2.409 6.218 1.00 10.00 H new ATOM 0 HG3 ARG A 863 1.241 2.359 5.510 1.00 10.00 H new ATOM 0 HD2 ARG A 863 1.507 0.575 7.840 1.00 10.00 H new ATOM 0 HD3 ARG A 863 1.843 2.250 8.230 1.00 10.00 H new ATOM 0 HE ARG A 863 -0.473 2.482 6.793 1.00 10.00 H new ATOM 0 HH11 ARG A 863 0.503 0.397 9.461 1.00 10.00 H new ATOM 0 HH12 ARG A 863 -1.132 0.271 10.119 1.00 10.00 H new ATOM 0 HH21 ARG A 863 -2.578 2.312 7.649 1.00 10.00 H new ATOM 0 HH22 ARG A 863 -2.863 1.346 9.101 1.00 10.00 H new ATOM 659 N MET A 864 4.662 -2.248 5.221 1.00 10.00 N ATOM 660 CA MET A 864 4.762 -3.632 4.765 1.00 10.00 C ATOM 661 C MET A 864 5.333 -4.510 5.863 1.00 10.00 C ATOM 662 O MET A 864 5.653 -4.025 6.949 1.00 10.00 O ATOM 663 CB MET A 864 5.614 -3.738 3.497 1.00 10.00 C ATOM 664 CG MET A 864 4.866 -3.369 2.223 1.00 10.00 C ATOM 665 SD MET A 864 5.855 -3.633 0.739 1.00 10.00 S ATOM 666 CE MET A 864 4.714 -3.049 -0.509 1.00 10.00 C ATOM 0 H MET A 864 5.548 -1.742 5.245 1.00 10.00 H new ATOM 0 HA MET A 864 3.758 -3.980 4.524 1.00 10.00 H new ATOM 0 HB2 MET A 864 6.483 -3.088 3.599 1.00 10.00 H new ATOM 0 HB3 MET A 864 5.988 -4.758 3.406 1.00 10.00 H new ATOM 0 HG2 MET A 864 3.953 -3.961 2.157 1.00 10.00 H new ATOM 0 HG3 MET A 864 4.564 -2.323 2.273 1.00 10.00 H new ATOM 0 HE1 MET A 864 4.910 -3.563 -1.450 1.00 10.00 H new ATOM 0 HE2 MET A 864 3.691 -3.252 -0.190 1.00 10.00 H new ATOM 0 HE3 MET A 864 4.845 -1.976 -0.648 1.00 10.00 H new ATOM 676 N ALA A 865 5.460 -5.798 5.586 1.00 10.00 N ATOM 677 CA ALA A 865 5.978 -6.734 6.549 1.00 10.00 C ATOM 678 C ALA A 865 7.141 -7.491 5.952 1.00 10.00 C ATOM 679 O ALA A 865 7.215 -7.644 4.728 1.00 10.00 O ATOM 680 CB ALA A 865 4.893 -7.693 6.982 1.00 10.00 C ATOM 0 H ALA A 865 5.206 -6.214 4.690 1.00 10.00 H new ATOM 0 HA ALA A 865 6.325 -6.187 7.426 1.00 10.00 H new ATOM 0 HB1 ALA A 865 5.298 -8.396 7.710 1.00 10.00 H new ATOM 0 HB2 ALA A 865 4.073 -7.135 7.433 1.00 10.00 H new ATOM 0 HB3 ALA A 865 4.525 -8.241 6.115 1.00 10.00 H new ATOM 686 N PRO A 866 8.064 -7.965 6.795 1.00 10.00 N ATOM 687 CA PRO A 866 9.245 -8.700 6.346 1.00 10.00 C ATOM 688 C PRO A 866 8.906 -9.986 5.598 1.00 10.00 C ATOM 689 O PRO A 866 8.798 -11.039 6.219 1.00 10.00 O ATOM 690 CB PRO A 866 9.992 -9.027 7.645 1.00 10.00 C ATOM 691 CG PRO A 866 8.980 -8.881 8.725 1.00 10.00 C ATOM 692 CD PRO A 866 8.045 -7.808 8.262 1.00 10.00 C ATOM 0 HA PRO A 866 9.825 -8.109 5.637 1.00 10.00 H new ATOM 0 HB2 PRO A 866 10.399 -10.038 7.621 1.00 10.00 H new ATOM 0 HB3 PRO A 866 10.831 -8.349 7.798 1.00 10.00 H new ATOM 0 HG2 PRO A 866 8.449 -9.818 8.893 1.00 10.00 H new ATOM 0 HG3 PRO A 866 9.452 -8.609 9.669 1.00 10.00 H new ATOM 0 HD2 PRO A 866 7.043 -7.942 8.670 1.00 10.00 H new ATOM 0 HD3 PRO A 866 8.384 -6.818 8.567 1.00 10.00 H new ATOM 700 N TYR A 867 8.783 -9.851 4.266 1.00 10.00 N ATOM 701 CA TYR A 867 8.480 -10.940 3.300 1.00 10.00 C ATOM 702 C TYR A 867 7.732 -12.151 3.898 1.00 10.00 C ATOM 703 O TYR A 867 6.534 -12.282 3.664 1.00 10.00 O ATOM 704 CB TYR A 867 9.729 -11.397 2.492 1.00 10.00 C ATOM 705 CG TYR A 867 11.081 -11.372 3.195 1.00 10.00 C ATOM 706 CD1 TYR A 867 11.497 -10.271 3.925 1.00 10.00 C ATOM 707 CD2 TYR A 867 11.955 -12.453 3.095 1.00 10.00 C ATOM 708 CE1 TYR A 867 12.730 -10.237 4.544 1.00 10.00 C ATOM 709 CE2 TYR A 867 13.192 -12.425 3.711 1.00 10.00 C ATOM 710 CZ TYR A 867 13.576 -11.325 4.436 1.00 10.00 C ATOM 711 OH TYR A 867 14.813 -11.313 5.049 1.00 10.00 O ATOM 0 H TYR A 867 8.895 -8.947 3.807 1.00 10.00 H new ATOM 0 HA TYR A 867 7.780 -10.476 2.605 1.00 10.00 H new ATOM 0 HB2 TYR A 867 9.550 -12.415 2.147 1.00 10.00 H new ATOM 0 HB3 TYR A 867 9.802 -10.768 1.605 1.00 10.00 H new ATOM 0 HD1 TYR A 867 10.840 -9.418 4.012 1.00 10.00 H new ATOM 0 HD2 TYR A 867 11.662 -13.324 2.528 1.00 10.00 H new ATOM 0 HE1 TYR A 867 13.032 -9.367 5.108 1.00 10.00 H new ATOM 0 HE2 TYR A 867 13.858 -13.271 3.622 1.00 10.00 H new ATOM 0 HH TYR A 867 15.262 -12.171 4.897 1.00 10.00 H new ATOM 721 N THR A 868 8.416 -13.003 4.662 1.00 10.00 N ATOM 722 CA THR A 868 7.772 -14.181 5.264 1.00 10.00 C ATOM 723 C THR A 868 7.313 -15.181 4.204 1.00 10.00 C ATOM 724 O THR A 868 6.247 -15.045 3.601 1.00 10.00 O ATOM 725 CB THR A 868 6.589 -13.750 6.145 1.00 10.00 C ATOM 726 OG1 THR A 868 7.060 -12.838 7.146 1.00 10.00 O ATOM 727 CG2 THR A 868 5.930 -14.939 6.824 1.00 10.00 C ATOM 0 H THR A 868 9.408 -12.905 4.880 1.00 10.00 H new ATOM 0 HA THR A 868 8.514 -14.682 5.886 1.00 10.00 H new ATOM 0 HB THR A 868 5.846 -13.273 5.506 1.00 10.00 H new ATOM 0 HG1 THR A 868 7.379 -12.017 6.716 1.00 10.00 H new ATOM 0 HG21 THR A 868 5.098 -14.593 7.438 1.00 10.00 H new ATOM 0 HG22 THR A 868 5.559 -15.631 6.067 1.00 10.00 H new ATOM 0 HG23 THR A 868 6.659 -15.448 7.455 1.00 10.00 H new ATOM 735 N GLY A 869 8.132 -16.189 3.979 1.00 10.00 N ATOM 736 CA GLY A 869 7.805 -17.192 3.000 1.00 10.00 C ATOM 737 C GLY A 869 8.760 -18.370 3.055 1.00 10.00 C ATOM 738 O GLY A 869 9.551 -18.482 3.987 1.00 10.00 O ATOM 0 H GLY A 869 9.021 -16.330 4.459 1.00 10.00 H new ATOM 0 HA2 GLY A 869 6.786 -17.543 3.166 1.00 10.00 H new ATOM 0 HA3 GLY A 869 7.832 -16.749 2.004 1.00 10.00 H new ATOM 742 N PRO A 870 8.709 -19.271 2.068 1.00 10.00 N ATOM 743 CA PRO A 870 9.605 -20.425 2.002 1.00 10.00 C ATOM 744 C PRO A 870 10.928 -20.068 1.332 1.00 10.00 C ATOM 745 O PRO A 870 11.753 -20.932 1.041 1.00 10.00 O ATOM 746 CB PRO A 870 8.824 -21.410 1.141 1.00 10.00 C ATOM 747 CG PRO A 870 8.000 -20.559 0.235 1.00 10.00 C ATOM 748 CD PRO A 870 7.750 -19.255 0.953 1.00 10.00 C ATOM 0 HA PRO A 870 9.870 -20.811 2.986 1.00 10.00 H new ATOM 0 HB2 PRO A 870 9.494 -22.057 0.574 1.00 10.00 H new ATOM 0 HB3 PRO A 870 8.197 -22.058 1.753 1.00 10.00 H new ATOM 0 HG2 PRO A 870 8.519 -20.386 -0.708 1.00 10.00 H new ATOM 0 HG3 PRO A 870 7.058 -21.053 -0.006 1.00 10.00 H new ATOM 0 HD2 PRO A 870 7.915 -18.400 0.297 1.00 10.00 H new ATOM 0 HD3 PRO A 870 6.723 -19.188 1.311 1.00 10.00 H new ATOM 756 N ASP A 871 11.104 -18.785 1.075 1.00 10.00 N ATOM 757 CA ASP A 871 12.309 -18.281 0.455 1.00 10.00 C ATOM 758 C ASP A 871 12.584 -16.872 0.959 1.00 10.00 C ATOM 759 O ASP A 871 11.786 -15.963 0.727 1.00 10.00 O ATOM 760 CB ASP A 871 12.143 -18.290 -1.064 1.00 10.00 C ATOM 761 CG ASP A 871 13.449 -18.118 -1.802 1.00 10.00 C ATOM 762 OD1 ASP A 871 14.490 -18.568 -1.281 1.00 10.00 O ATOM 763 OD2 ASP A 871 13.436 -17.555 -2.919 1.00 10.00 O ATOM 0 H ASP A 871 10.414 -18.066 1.291 1.00 10.00 H new ATOM 0 HA ASP A 871 13.155 -18.917 0.715 1.00 10.00 H new ATOM 0 HB2 ASP A 871 11.682 -19.230 -1.368 1.00 10.00 H new ATOM 0 HB3 ASP A 871 11.460 -17.491 -1.354 1.00 10.00 H new ATOM 768 N SER A 872 13.677 -16.698 1.689 1.00 10.00 N ATOM 769 CA SER A 872 14.038 -15.388 2.214 1.00 10.00 C ATOM 770 C SER A 872 14.566 -14.507 1.085 1.00 10.00 C ATOM 771 O SER A 872 15.740 -14.563 0.730 1.00 10.00 O ATOM 772 CB SER A 872 15.082 -15.522 3.328 1.00 10.00 C ATOM 773 OG SER A 872 15.412 -14.269 3.902 1.00 10.00 O ATOM 0 H SER A 872 14.328 -17.445 1.931 1.00 10.00 H new ATOM 0 HA SER A 872 13.150 -14.921 2.639 1.00 10.00 H new ATOM 0 HB2 SER A 872 14.701 -16.187 4.103 1.00 10.00 H new ATOM 0 HB3 SER A 872 15.983 -15.985 2.926 1.00 10.00 H new ATOM 0 HG SER A 872 14.757 -13.597 3.620 1.00 10.00 H new ATOM 779 N VAL A 873 13.665 -13.734 0.509 1.00 10.00 N ATOM 780 CA VAL A 873 13.977 -12.828 -0.586 1.00 10.00 C ATOM 781 C VAL A 873 14.611 -11.533 -0.082 1.00 10.00 C ATOM 782 O VAL A 873 14.122 -10.916 0.866 1.00 10.00 O ATOM 783 CB VAL A 873 12.702 -12.517 -1.397 1.00 10.00 C ATOM 784 CG1 VAL A 873 12.253 -13.765 -2.133 1.00 10.00 C ATOM 785 CG2 VAL A 873 11.580 -12.004 -0.503 1.00 10.00 C ATOM 0 H VAL A 873 12.684 -13.715 0.789 1.00 10.00 H new ATOM 0 HA VAL A 873 14.703 -13.323 -1.232 1.00 10.00 H new ATOM 0 HB VAL A 873 12.938 -11.731 -2.114 1.00 10.00 H new ATOM 0 HG11 VAL A 873 11.352 -13.545 -2.706 1.00 10.00 H new ATOM 0 HG12 VAL A 873 13.043 -14.092 -2.810 1.00 10.00 H new ATOM 0 HG13 VAL A 873 12.041 -14.556 -1.413 1.00 10.00 H new ATOM 0 HG21 VAL A 873 10.698 -11.796 -1.109 1.00 10.00 H new ATOM 0 HG22 VAL A 873 11.336 -12.759 0.245 1.00 10.00 H new ATOM 0 HG23 VAL A 873 11.902 -11.090 -0.004 1.00 10.00 H new ATOM 795 N PRO A 874 15.737 -11.130 -0.688 1.00 10.00 N ATOM 796 CA PRO A 874 16.446 -9.909 -0.317 1.00 10.00 C ATOM 797 C PRO A 874 15.935 -8.680 -1.067 1.00 10.00 C ATOM 798 O PRO A 874 15.720 -8.718 -2.278 1.00 10.00 O ATOM 799 CB PRO A 874 17.885 -10.239 -0.721 1.00 10.00 C ATOM 800 CG PRO A 874 17.752 -11.129 -1.910 1.00 10.00 C ATOM 801 CD PRO A 874 16.436 -11.859 -1.766 1.00 10.00 C ATOM 0 HA PRO A 874 16.321 -9.651 0.735 1.00 10.00 H new ATOM 0 HB2 PRO A 874 18.445 -9.336 -0.964 1.00 10.00 H new ATOM 0 HB3 PRO A 874 18.419 -10.737 0.088 1.00 10.00 H new ATOM 0 HG2 PRO A 874 17.772 -10.548 -2.832 1.00 10.00 H new ATOM 0 HG3 PRO A 874 18.582 -11.834 -1.959 1.00 10.00 H new ATOM 0 HD2 PRO A 874 15.866 -11.840 -2.695 1.00 10.00 H new ATOM 0 HD3 PRO A 874 16.587 -12.907 -1.506 1.00 10.00 H new ATOM 809 N GLY A 875 15.692 -7.607 -0.329 1.00 10.00 N ATOM 810 CA GLY A 875 15.229 -6.368 -0.939 1.00 10.00 C ATOM 811 C GLY A 875 13.780 -6.424 -1.361 1.00 10.00 C ATOM 812 O GLY A 875 13.289 -5.536 -2.058 1.00 10.00 O ATOM 0 H GLY A 875 15.806 -7.568 0.684 1.00 10.00 H new ATOM 0 HA2 GLY A 875 15.365 -5.549 -0.233 1.00 10.00 H new ATOM 0 HA3 GLY A 875 15.847 -6.145 -1.809 1.00 10.00 H new ATOM 816 N ALA A 876 13.087 -7.449 -0.913 1.00 10.00 N ATOM 817 CA ALA A 876 11.688 -7.621 -1.241 1.00 10.00 C ATOM 818 C ALA A 876 10.913 -7.881 0.033 1.00 10.00 C ATOM 819 O ALA A 876 11.384 -8.606 0.915 1.00 10.00 O ATOM 820 CB ALA A 876 11.509 -8.751 -2.236 1.00 10.00 C ATOM 0 H ALA A 876 13.473 -8.181 -0.316 1.00 10.00 H new ATOM 0 HA ALA A 876 11.305 -6.714 -1.709 1.00 10.00 H new ATOM 0 HB1 ALA A 876 10.451 -8.865 -2.470 1.00 10.00 H new ATOM 0 HB2 ALA A 876 12.060 -8.523 -3.148 1.00 10.00 H new ATOM 0 HB3 ALA A 876 11.887 -9.678 -1.806 1.00 10.00 H new ATOM 826 N LEU A 877 9.749 -7.269 0.153 1.00 10.00 N ATOM 827 CA LEU A 877 8.937 -7.427 1.344 1.00 10.00 C ATOM 828 C LEU A 877 7.500 -7.793 0.999 1.00 10.00 C ATOM 829 O LEU A 877 7.038 -7.559 -0.122 1.00 10.00 O ATOM 830 CB LEU A 877 8.989 -6.152 2.181 1.00 10.00 C ATOM 831 CG LEU A 877 9.660 -6.319 3.540 1.00 10.00 C ATOM 832 CD1 LEU A 877 11.156 -6.555 3.379 1.00 10.00 C ATOM 833 CD2 LEU A 877 9.395 -5.095 4.394 1.00 10.00 C ATOM 0 H LEU A 877 9.346 -6.659 -0.559 1.00 10.00 H new ATOM 0 HA LEU A 877 9.346 -8.251 1.929 1.00 10.00 H new ATOM 0 HB2 LEU A 877 9.520 -5.384 1.619 1.00 10.00 H new ATOM 0 HB3 LEU A 877 7.972 -5.790 2.333 1.00 10.00 H new ATOM 0 HG LEU A 877 9.239 -7.193 4.037 1.00 10.00 H new ATOM 0 HD11 LEU A 877 11.614 -6.671 4.361 1.00 10.00 H new ATOM 0 HD12 LEU A 877 11.321 -7.459 2.793 1.00 10.00 H new ATOM 0 HD13 LEU A 877 11.606 -5.704 2.868 1.00 10.00 H new ATOM 0 HD21 LEU A 877 9.876 -5.217 5.365 1.00 10.00 H new ATOM 0 HD22 LEU A 877 9.798 -4.212 3.898 1.00 10.00 H new ATOM 0 HD23 LEU A 877 8.321 -4.975 4.534 1.00 10.00 H new ATOM 845 N ASP A 878 6.801 -8.376 1.967 1.00 10.00 N ATOM 846 CA ASP A 878 5.420 -8.804 1.771 1.00 10.00 C ATOM 847 C ASP A 878 4.488 -7.606 1.577 1.00 10.00 C ATOM 848 O ASP A 878 4.339 -6.779 2.478 1.00 10.00 O ATOM 849 CB ASP A 878 4.945 -9.635 2.968 1.00 10.00 C ATOM 850 CG ASP A 878 3.523 -10.118 2.791 1.00 10.00 C ATOM 851 OD1 ASP A 878 3.319 -11.173 2.156 1.00 10.00 O ATOM 852 OD2 ASP A 878 2.601 -9.436 3.284 1.00 10.00 O ATOM 0 H ASP A 878 7.170 -8.564 2.899 1.00 10.00 H new ATOM 0 HA ASP A 878 5.389 -9.415 0.869 1.00 10.00 H new ATOM 0 HB2 ASP A 878 5.606 -10.492 3.100 1.00 10.00 H new ATOM 0 HB3 ASP A 878 5.015 -9.036 3.876 1.00 10.00 H new ATOM 857 N TYR A 879 3.880 -7.508 0.400 1.00 10.00 N ATOM 858 CA TYR A 879 2.969 -6.402 0.118 1.00 10.00 C ATOM 859 C TYR A 879 1.551 -6.701 0.598 1.00 10.00 C ATOM 860 O TYR A 879 0.764 -5.778 0.809 1.00 10.00 O ATOM 861 CB TYR A 879 2.944 -6.065 -1.386 1.00 10.00 C ATOM 862 CG TYR A 879 2.591 -7.231 -2.292 1.00 10.00 C ATOM 863 CD1 TYR A 879 1.276 -7.674 -2.398 1.00 10.00 C ATOM 864 CD2 TYR A 879 3.561 -7.885 -3.040 1.00 10.00 C ATOM 865 CE1 TYR A 879 0.942 -8.732 -3.223 1.00 10.00 C ATOM 866 CE2 TYR A 879 3.231 -8.942 -3.870 1.00 10.00 C ATOM 867 CZ TYR A 879 1.921 -9.363 -3.954 1.00 10.00 C ATOM 868 OH TYR A 879 1.594 -10.421 -4.774 1.00 10.00 O ATOM 0 H TYR A 879 3.998 -8.171 -0.366 1.00 10.00 H new ATOM 0 HA TYR A 879 3.346 -5.540 0.668 1.00 10.00 H new ATOM 0 HB2 TYR A 879 2.225 -5.263 -1.553 1.00 10.00 H new ATOM 0 HB3 TYR A 879 3.923 -5.682 -1.675 1.00 10.00 H new ATOM 0 HD1 TYR A 879 0.503 -7.183 -1.826 1.00 10.00 H new ATOM 0 HD2 TYR A 879 4.590 -7.563 -2.973 1.00 10.00 H new ATOM 0 HE1 TYR A 879 -0.084 -9.062 -3.293 1.00 10.00 H new ATOM 0 HE2 TYR A 879 3.997 -9.435 -4.450 1.00 10.00 H new ATOM 0 HH TYR A 879 2.380 -10.992 -4.900 1.00 10.00 H new ATOM 878 N MET A 880 1.230 -7.988 0.772 1.00 10.00 N ATOM 879 CA MET A 880 -0.103 -8.405 1.206 1.00 10.00 C ATOM 880 C MET A 880 -0.474 -7.765 2.547 1.00 10.00 C ATOM 881 O MET A 880 -1.640 -7.461 2.812 1.00 10.00 O ATOM 882 CB MET A 880 -0.151 -9.928 1.319 1.00 10.00 C ATOM 883 CG MET A 880 -1.530 -10.481 1.659 1.00 10.00 C ATOM 884 SD MET A 880 -1.485 -12.222 2.124 1.00 10.00 S ATOM 885 CE MET A 880 -0.310 -12.171 3.475 1.00 10.00 C ATOM 0 H MET A 880 1.879 -8.759 0.618 1.00 10.00 H new ATOM 0 HA MET A 880 -0.828 -8.071 0.464 1.00 10.00 H new ATOM 0 HB2 MET A 880 0.181 -10.363 0.376 1.00 10.00 H new ATOM 0 HB3 MET A 880 0.556 -10.248 2.084 1.00 10.00 H new ATOM 0 HG2 MET A 880 -1.958 -9.901 2.477 1.00 10.00 H new ATOM 0 HG3 MET A 880 -2.189 -10.355 0.800 1.00 10.00 H new ATOM 0 HE1 MET A 880 -0.604 -12.889 4.240 1.00 10.00 H new ATOM 0 HE2 MET A 880 0.683 -12.423 3.103 1.00 10.00 H new ATOM 0 HE3 MET A 880 -0.293 -11.170 3.905 1.00 10.00 H new ATOM 895 N SER A 881 0.536 -7.537 3.368 1.00 10.00 N ATOM 896 CA SER A 881 0.346 -6.937 4.677 1.00 10.00 C ATOM 897 C SER A 881 -0.171 -5.508 4.558 1.00 10.00 C ATOM 898 O SER A 881 -0.968 -5.052 5.381 1.00 10.00 O ATOM 899 CB SER A 881 1.656 -6.977 5.442 1.00 10.00 C ATOM 900 OG SER A 881 2.063 -8.324 5.632 1.00 10.00 O ATOM 0 H SER A 881 1.506 -7.761 3.148 1.00 10.00 H new ATOM 0 HA SER A 881 -0.405 -7.508 5.222 1.00 10.00 H new ATOM 0 HB2 SER A 881 2.424 -6.430 4.895 1.00 10.00 H new ATOM 0 HB3 SER A 881 1.539 -6.484 6.407 1.00 10.00 H new ATOM 0 HG SER A 881 2.540 -8.637 4.835 1.00 10.00 H new ATOM 906 N PHE A 882 0.261 -4.821 3.513 1.00 10.00 N ATOM 907 CA PHE A 882 -0.164 -3.455 3.278 1.00 10.00 C ATOM 908 C PHE A 882 -1.645 -3.425 2.928 1.00 10.00 C ATOM 909 O PHE A 882 -2.410 -2.637 3.481 1.00 10.00 O ATOM 910 CB PHE A 882 0.660 -2.812 2.158 1.00 10.00 C ATOM 911 CG PHE A 882 0.126 -1.473 1.740 1.00 10.00 C ATOM 912 CD1 PHE A 882 -0.011 -0.451 2.669 1.00 10.00 C ATOM 913 CD2 PHE A 882 -0.254 -1.242 0.426 1.00 10.00 C ATOM 914 CE1 PHE A 882 -0.516 0.774 2.295 1.00 10.00 C ATOM 915 CE2 PHE A 882 -0.762 -0.013 0.048 1.00 10.00 C ATOM 916 CZ PHE A 882 -0.893 0.995 0.983 1.00 10.00 C ATOM 0 H PHE A 882 0.907 -5.189 2.814 1.00 10.00 H new ATOM 0 HA PHE A 882 -0.002 -2.881 4.190 1.00 10.00 H new ATOM 0 HB2 PHE A 882 1.692 -2.699 2.491 1.00 10.00 H new ATOM 0 HB3 PHE A 882 0.675 -3.478 1.295 1.00 10.00 H new ATOM 0 HD1 PHE A 882 0.281 -0.618 3.695 1.00 10.00 H new ATOM 0 HD2 PHE A 882 -0.152 -2.028 -0.307 1.00 10.00 H new ATOM 0 HE1 PHE A 882 -0.618 1.562 3.026 1.00 10.00 H new ATOM 0 HE2 PHE A 882 -1.056 0.159 -0.977 1.00 10.00 H new ATOM 0 HZ PHE A 882 -1.290 1.956 0.690 1.00 10.00 H new ATOM 926 N SER A 883 -2.045 -4.304 2.028 1.00 10.00 N ATOM 927 CA SER A 883 -3.428 -4.381 1.614 1.00 10.00 C ATOM 928 C SER A 883 -4.306 -4.834 2.784 1.00 10.00 C ATOM 929 O SER A 883 -5.454 -4.422 2.900 1.00 10.00 O ATOM 930 CB SER A 883 -3.560 -5.336 0.428 1.00 10.00 C ATOM 931 OG SER A 883 -2.272 -5.709 -0.063 1.00 10.00 O ATOM 0 H SER A 883 -1.428 -4.975 1.570 1.00 10.00 H new ATOM 0 HA SER A 883 -3.766 -3.393 1.301 1.00 10.00 H new ATOM 0 HB2 SER A 883 -4.112 -6.226 0.731 1.00 10.00 H new ATOM 0 HB3 SER A 883 -4.134 -4.860 -0.367 1.00 10.00 H new ATOM 0 HG SER A 883 -2.372 -6.397 -0.754 1.00 10.00 H new ATOM 937 N THR A 884 -3.745 -5.666 3.658 1.00 10.00 N ATOM 938 CA THR A 884 -4.469 -6.164 4.827 1.00 10.00 C ATOM 939 C THR A 884 -4.665 -5.042 5.849 1.00 10.00 C ATOM 940 O THR A 884 -5.764 -4.854 6.374 1.00 10.00 O ATOM 941 CB THR A 884 -3.719 -7.352 5.491 1.00 10.00 C ATOM 942 OG1 THR A 884 -3.495 -8.403 4.536 1.00 10.00 O ATOM 943 CG2 THR A 884 -4.495 -7.912 6.678 1.00 10.00 C ATOM 0 H THR A 884 -2.788 -6.011 3.579 1.00 10.00 H new ATOM 0 HA THR A 884 -5.442 -6.518 4.488 1.00 10.00 H new ATOM 0 HB THR A 884 -2.763 -6.970 5.849 1.00 10.00 H new ATOM 0 HG1 THR A 884 -2.729 -8.173 3.970 1.00 10.00 H new ATOM 0 HG21 THR A 884 -3.940 -8.741 7.117 1.00 10.00 H new ATOM 0 HG22 THR A 884 -4.631 -7.130 7.425 1.00 10.00 H new ATOM 0 HG23 THR A 884 -5.470 -8.266 6.341 1.00 10.00 H new ATOM 951 N ALA A 885 -3.601 -4.293 6.119 1.00 10.00 N ATOM 952 CA ALA A 885 -3.667 -3.185 7.060 1.00 10.00 C ATOM 953 C ALA A 885 -4.594 -2.097 6.529 1.00 10.00 C ATOM 954 O ALA A 885 -5.276 -1.411 7.292 1.00 10.00 O ATOM 955 CB ALA A 885 -2.280 -2.619 7.312 1.00 10.00 C ATOM 0 H ALA A 885 -2.683 -4.435 5.698 1.00 10.00 H new ATOM 0 HA ALA A 885 -4.066 -3.555 8.004 1.00 10.00 H new ATOM 0 HB1 ALA A 885 -2.348 -1.791 8.018 1.00 10.00 H new ATOM 0 HB2 ALA A 885 -1.639 -3.397 7.726 1.00 10.00 H new ATOM 0 HB3 ALA A 885 -1.857 -2.262 6.373 1.00 10.00 H new ATOM 961 N LEU A 886 -4.599 -1.947 5.211 1.00 10.00 N ATOM 962 CA LEU A 886 -5.436 -0.967 4.544 1.00 10.00 C ATOM 963 C LEU A 886 -6.889 -1.436 4.494 1.00 10.00 C ATOM 964 O LEU A 886 -7.810 -0.627 4.576 1.00 10.00 O ATOM 965 CB LEU A 886 -4.925 -0.721 3.128 1.00 10.00 C ATOM 966 CG LEU A 886 -5.559 0.471 2.409 1.00 10.00 C ATOM 967 CD1 LEU A 886 -5.130 1.786 3.053 1.00 10.00 C ATOM 968 CD2 LEU A 886 -5.192 0.445 0.939 1.00 10.00 C ATOM 0 H LEU A 886 -4.023 -2.502 4.578 1.00 10.00 H new ATOM 0 HA LEU A 886 -5.391 -0.038 5.112 1.00 10.00 H new ATOM 0 HB2 LEU A 886 -3.846 -0.570 3.169 1.00 10.00 H new ATOM 0 HB3 LEU A 886 -5.099 -1.618 2.534 1.00 10.00 H new ATOM 0 HG LEU A 886 -6.643 0.395 2.499 1.00 10.00 H new ATOM 0 HD11 LEU A 886 -5.594 2.619 2.524 1.00 10.00 H new ATOM 0 HD12 LEU A 886 -5.444 1.799 4.097 1.00 10.00 H new ATOM 0 HD13 LEU A 886 -4.045 1.881 2.999 1.00 10.00 H new ATOM 0 HD21 LEU A 886 -5.648 1.297 0.435 1.00 10.00 H new ATOM 0 HD22 LEU A 886 -4.108 0.498 0.834 1.00 10.00 H new ATOM 0 HD23 LEU A 886 -5.555 -0.479 0.490 1.00 10.00 H new ATOM 980 N TYR A 887 -7.090 -2.746 4.359 1.00 10.00 N ATOM 981 CA TYR A 887 -8.426 -3.314 4.292 1.00 10.00 C ATOM 982 C TYR A 887 -9.177 -3.069 5.587 1.00 10.00 C ATOM 983 O TYR A 887 -10.374 -2.781 5.573 1.00 10.00 O ATOM 984 CB TYR A 887 -8.358 -4.814 4.023 1.00 10.00 C ATOM 985 CG TYR A 887 -9.691 -5.406 3.635 1.00 10.00 C ATOM 986 CD1 TYR A 887 -10.434 -6.151 4.545 1.00 10.00 C ATOM 987 CD2 TYR A 887 -10.208 -5.217 2.360 1.00 10.00 C ATOM 988 CE1 TYR A 887 -11.653 -6.686 4.193 1.00 10.00 C ATOM 989 CE2 TYR A 887 -11.432 -5.751 2.002 1.00 10.00 C ATOM 990 CZ TYR A 887 -12.147 -6.488 2.923 1.00 10.00 C ATOM 991 OH TYR A 887 -13.365 -7.025 2.573 1.00 10.00 O ATOM 0 H TYR A 887 -6.338 -3.432 4.294 1.00 10.00 H new ATOM 0 HA TYR A 887 -8.956 -2.827 3.474 1.00 10.00 H new ATOM 0 HB2 TYR A 887 -7.638 -5.002 3.227 1.00 10.00 H new ATOM 0 HB3 TYR A 887 -7.988 -5.321 4.914 1.00 10.00 H new ATOM 0 HD1 TYR A 887 -10.049 -6.312 5.541 1.00 10.00 H new ATOM 0 HD2 TYR A 887 -9.646 -4.644 1.637 1.00 10.00 H new ATOM 0 HE1 TYR A 887 -12.220 -7.259 4.911 1.00 10.00 H new ATOM 0 HE2 TYR A 887 -11.825 -5.592 1.009 1.00 10.00 H new ATOM 0 HH TYR A 887 -13.570 -6.793 1.643 1.00 10.00 H new ATOM 1001 N GLY A 888 -8.465 -3.181 6.705 1.00 10.00 N ATOM 1002 CA GLY A 888 -9.079 -2.974 8.001 1.00 10.00 C ATOM 1003 C GLY A 888 -9.281 -1.502 8.304 1.00 10.00 C ATOM 1004 O GLY A 888 -8.420 -0.866 8.909 1.00 10.00 O ATOM 0 H GLY A 888 -7.472 -3.412 6.734 1.00 10.00 H new ATOM 0 HA2 GLY A 888 -10.041 -3.486 8.033 1.00 10.00 H new ATOM 0 HA3 GLY A 888 -8.454 -3.421 8.774 1.00 10.00 H new ATOM 1008 N GLU A 889 -10.407 -0.950 7.876 1.00 10.00 N ATOM 1009 CA GLU A 889 -10.682 0.457 8.113 1.00 10.00 C ATOM 1010 C GLU A 889 -11.139 0.682 9.549 1.00 10.00 C ATOM 1011 O GLU A 889 -11.512 -0.263 10.246 1.00 10.00 O ATOM 1012 CB GLU A 889 -11.753 0.955 7.141 1.00 10.00 C ATOM 1013 CG GLU A 889 -11.323 2.150 6.300 1.00 10.00 C ATOM 1014 CD GLU A 889 -11.805 3.478 6.861 1.00 10.00 C ATOM 1015 OE1 GLU A 889 -12.596 4.169 6.176 1.00 10.00 O ATOM 1016 OE2 GLU A 889 -11.390 3.842 7.984 1.00 10.00 O ATOM 0 H GLU A 889 -11.137 -1.450 7.368 1.00 10.00 H new ATOM 0 HA GLU A 889 -9.762 1.019 7.950 1.00 10.00 H new ATOM 0 HB2 GLU A 889 -12.033 0.138 6.476 1.00 10.00 H new ATOM 0 HB3 GLU A 889 -12.645 1.225 7.707 1.00 10.00 H new ATOM 0 HG2 GLU A 889 -10.235 2.165 6.230 1.00 10.00 H new ATOM 0 HG3 GLU A 889 -11.706 2.030 5.286 1.00 10.00 H new ATOM 1183 N LEU B1653 -4.484 1.959 -10.368 1.00 10.00 N ATOM 1184 CA LEU B1653 -5.602 1.347 -9.657 1.00 10.00 C ATOM 1185 C LEU B1653 -5.547 1.697 -8.169 1.00 10.00 C ATOM 1186 O LEU B1653 -6.567 2.027 -7.557 1.00 10.00 O ATOM 1187 CB LEU B1653 -5.610 -0.175 -9.846 1.00 10.00 C ATOM 1188 CG LEU B1653 -5.958 -0.659 -11.260 1.00 10.00 C ATOM 1189 CD1 LEU B1653 -6.075 -2.172 -11.283 1.00 10.00 C ATOM 1190 CD2 LEU B1653 -7.262 -0.035 -11.744 1.00 10.00 C ATOM 0 HA LEU B1653 -6.525 1.746 -10.077 1.00 10.00 H new ATOM 0 HB2 LEU B1653 -4.627 -0.563 -9.579 1.00 10.00 H new ATOM 0 HB3 LEU B1653 -6.324 -0.608 -9.146 1.00 10.00 H new ATOM 0 HG LEU B1653 -5.156 -0.349 -11.930 1.00 10.00 H new ATOM 0 HD11 LEU B1653 -6.322 -2.503 -12.292 1.00 10.00 H new ATOM 0 HD12 LEU B1653 -5.127 -2.615 -10.978 1.00 10.00 H new ATOM 0 HD13 LEU B1653 -6.860 -2.487 -10.596 1.00 10.00 H new ATOM 0 HD21 LEU B1653 -7.486 -0.394 -12.748 1.00 10.00 H new ATOM 0 HD22 LEU B1653 -8.071 -0.314 -11.070 1.00 10.00 H new ATOM 0 HD23 LEU B1653 -7.162 1.050 -11.761 1.00 10.00 H new ATOM 1202 N ILE B1654 -4.342 1.650 -7.610 1.00 10.00 N ATOM 1203 CA ILE B1654 -4.126 1.965 -6.203 1.00 10.00 C ATOM 1204 C ILE B1654 -4.279 3.471 -5.968 1.00 10.00 C ATOM 1205 O ILE B1654 -4.877 3.904 -4.976 1.00 10.00 O ATOM 1206 CB ILE B1654 -2.728 1.492 -5.729 1.00 10.00 C ATOM 1207 CG1 ILE B1654 -2.531 0.001 -6.034 1.00 10.00 C ATOM 1208 CG2 ILE B1654 -2.564 1.746 -4.236 1.00 10.00 C ATOM 1209 CD1 ILE B1654 -1.079 -0.414 -6.101 1.00 10.00 C ATOM 0 H ILE B1654 -3.494 1.394 -8.115 1.00 10.00 H new ATOM 0 HA ILE B1654 -4.879 1.433 -5.621 1.00 10.00 H new ATOM 0 HB ILE B1654 -1.971 2.060 -6.270 1.00 10.00 H new ATOM 0 HG12 ILE B1654 -3.034 -0.588 -5.267 1.00 10.00 H new ATOM 0 HG13 ILE B1654 -3.012 -0.234 -6.983 1.00 10.00 H new ATOM 0 HG21 ILE B1654 -1.578 1.409 -3.916 1.00 10.00 H new ATOM 0 HG22 ILE B1654 -2.666 2.812 -4.035 1.00 10.00 H new ATOM 0 HG23 ILE B1654 -3.330 1.198 -3.687 1.00 10.00 H new ATOM 0 HD11 ILE B1654 -1.015 -1.480 -6.320 1.00 10.00 H new ATOM 0 HD12 ILE B1654 -0.576 0.149 -6.887 1.00 10.00 H new ATOM 0 HD13 ILE B1654 -0.598 -0.211 -5.144 1.00 10.00 H new ATOM 1221 N GLN B1655 -3.749 4.267 -6.893 1.00 10.00 N ATOM 1222 CA GLN B1655 -3.842 5.718 -6.792 1.00 10.00 C ATOM 1223 C GLN B1655 -5.301 6.163 -6.882 1.00 10.00 C ATOM 1224 O GLN B1655 -5.747 7.016 -6.115 1.00 10.00 O ATOM 1225 CB GLN B1655 -3.003 6.406 -7.878 1.00 10.00 C ATOM 1226 CG GLN B1655 -1.513 6.069 -7.803 1.00 10.00 C ATOM 1227 CD GLN B1655 -0.686 6.741 -8.891 1.00 10.00 C ATOM 1228 OE1 GLN B1655 -0.489 6.183 -9.968 1.00 10.00 O ATOM 1229 NE2 GLN B1655 -0.186 7.941 -8.619 1.00 10.00 N ATOM 0 H GLN B1655 -3.252 3.932 -7.718 1.00 10.00 H new ATOM 0 HA GLN B1655 -3.442 6.015 -5.822 1.00 10.00 H new ATOM 0 HB2 GLN B1655 -3.384 6.117 -8.858 1.00 10.00 H new ATOM 0 HB3 GLN B1655 -3.128 7.485 -7.793 1.00 10.00 H new ATOM 0 HG2 GLN B1655 -1.129 6.368 -6.828 1.00 10.00 H new ATOM 0 HG3 GLN B1655 -1.388 4.989 -7.877 1.00 10.00 H new ATOM 0 HE21 GLN B1655 -0.368 8.377 -7.715 1.00 10.00 H new ATOM 0 HE22 GLN B1655 0.380 8.427 -9.314 1.00 10.00 H new ATOM 1238 N GLU B1656 -6.043 5.567 -7.813 1.00 10.00 N ATOM 1239 CA GLU B1656 -7.459 5.881 -7.997 1.00 10.00 C ATOM 1240 C GLU B1656 -8.263 5.513 -6.754 1.00 10.00 C ATOM 1241 O GLU B1656 -9.222 6.198 -6.398 1.00 10.00 O ATOM 1242 CB GLU B1656 -8.013 5.152 -9.225 1.00 10.00 C ATOM 1243 CG GLU B1656 -9.404 5.604 -9.645 1.00 10.00 C ATOM 1244 CD GLU B1656 -9.469 7.083 -9.972 1.00 10.00 C ATOM 1245 OE1 GLU B1656 -9.379 7.438 -11.165 1.00 10.00 O ATOM 1246 OE2 GLU B1656 -9.613 7.903 -9.041 1.00 10.00 O ATOM 0 H GLU B1656 -5.685 4.860 -8.455 1.00 10.00 H new ATOM 0 HA GLU B1656 -7.551 6.955 -8.157 1.00 10.00 H new ATOM 0 HB2 GLU B1656 -7.328 5.299 -10.060 1.00 10.00 H new ATOM 0 HB3 GLU B1656 -8.038 4.082 -9.018 1.00 10.00 H new ATOM 0 HG2 GLU B1656 -9.720 5.030 -10.516 1.00 10.00 H new ATOM 0 HG3 GLU B1656 -10.110 5.382 -8.845 1.00 10.00 H new ATOM 1253 N TYR B1657 -7.867 4.437 -6.089 1.00 10.00 N ATOM 1254 CA TYR B1657 -8.555 4.009 -4.879 1.00 10.00 C ATOM 1255 C TYR B1657 -8.349 5.053 -3.791 1.00 10.00 C ATOM 1256 O TYR B1657 -9.230 5.289 -2.973 1.00 10.00 O ATOM 1257 CB TYR B1657 -8.056 2.640 -4.415 1.00 10.00 C ATOM 1258 CG TYR B1657 -8.907 2.019 -3.324 1.00 10.00 C ATOM 1259 CD1 TYR B1657 -8.669 2.298 -1.982 1.00 10.00 C ATOM 1260 CD2 TYR B1657 -9.943 1.145 -3.636 1.00 10.00 C ATOM 1261 CE1 TYR B1657 -9.440 1.735 -0.985 1.00 10.00 C ATOM 1262 CE2 TYR B1657 -10.718 0.576 -2.638 1.00 10.00 C ATOM 1263 CZ TYR B1657 -10.458 0.874 -1.315 1.00 10.00 C ATOM 1264 OH TYR B1657 -11.231 0.324 -0.317 1.00 10.00 O ATOM 0 H TYR B1657 -7.080 3.849 -6.363 1.00 10.00 H new ATOM 0 HA TYR B1657 -9.620 3.913 -5.093 1.00 10.00 H new ATOM 0 HB2 TYR B1657 -8.027 1.965 -5.270 1.00 10.00 H new ATOM 0 HB3 TYR B1657 -7.033 2.740 -4.053 1.00 10.00 H new ATOM 0 HD1 TYR B1657 -7.865 2.968 -1.715 1.00 10.00 H new ATOM 0 HD2 TYR B1657 -10.146 0.907 -4.670 1.00 10.00 H new ATOM 0 HE1 TYR B1657 -9.244 1.971 0.051 1.00 10.00 H new ATOM 0 HE2 TYR B1657 -11.522 -0.098 -2.894 1.00 10.00 H new ATOM 0 HH TYR B1657 -11.909 -0.262 -0.714 1.00 10.00 H new ATOM 1274 N PHE B1658 -7.184 5.693 -3.805 1.00 10.00 N ATOM 1275 CA PHE B1658 -6.879 6.732 -2.829 1.00 10.00 C ATOM 1276 C PHE B1658 -7.814 7.916 -3.034 1.00 10.00 C ATOM 1277 O PHE B1658 -8.347 8.488 -2.078 1.00 10.00 O ATOM 1278 CB PHE B1658 -5.428 7.185 -2.952 1.00 10.00 C ATOM 1279 CG PHE B1658 -4.547 6.602 -1.889 1.00 10.00 C ATOM 1280 CD1 PHE B1658 -4.410 7.222 -0.658 1.00 10.00 C ATOM 1281 CD2 PHE B1658 -3.864 5.426 -2.121 1.00 10.00 C ATOM 1282 CE1 PHE B1658 -3.607 6.678 0.323 1.00 10.00 C ATOM 1283 CE2 PHE B1658 -3.058 4.874 -1.148 1.00 10.00 C ATOM 1284 CZ PHE B1658 -2.929 5.500 0.077 1.00 10.00 C ATOM 0 H PHE B1658 -6.439 5.511 -4.478 1.00 10.00 H new ATOM 0 HA PHE B1658 -7.024 6.323 -1.829 1.00 10.00 H new ATOM 0 HB2 PHE B1658 -5.045 6.900 -3.932 1.00 10.00 H new ATOM 0 HB3 PHE B1658 -5.386 8.273 -2.897 1.00 10.00 H new ATOM 0 HD1 PHE B1658 -4.939 8.143 -0.464 1.00 10.00 H new ATOM 0 HD2 PHE B1658 -3.962 4.932 -3.076 1.00 10.00 H new ATOM 0 HE1 PHE B1658 -3.509 7.171 1.279 1.00 10.00 H new ATOM 0 HE2 PHE B1658 -2.528 3.953 -1.343 1.00 10.00 H new ATOM 0 HZ PHE B1658 -2.299 5.069 0.841 1.00 10.00 H new ATOM 1294 N ARG B1659 -8.039 8.243 -4.301 1.00 10.00 N ATOM 1295 CA ARG B1659 -8.913 9.342 -4.671 1.00 10.00 C ATOM 1296 C ARG B1659 -10.364 9.029 -4.314 1.00 10.00 C ATOM 1297 O ARG B1659 -11.095 9.899 -3.839 1.00 10.00 O ATOM 1298 CB ARG B1659 -8.815 9.627 -6.171 1.00 10.00 C ATOM 1299 CG ARG B1659 -7.563 10.385 -6.580 1.00 10.00 C ATOM 1300 CD ARG B1659 -6.693 9.571 -7.535 1.00 10.00 C ATOM 1301 NE ARG B1659 -7.346 9.297 -8.824 1.00 10.00 N ATOM 1302 CZ ARG B1659 -6.810 9.584 -10.016 1.00 10.00 C ATOM 1303 NH1 ARG B1659 -5.612 10.149 -10.086 1.00 10.00 N ATOM 1304 NH2 ARG B1659 -7.457 9.272 -11.136 1.00 10.00 N ATOM 0 H ARG B1659 -7.622 7.755 -5.094 1.00 10.00 H new ATOM 0 HA ARG B1659 -8.590 10.221 -4.113 1.00 10.00 H new ATOM 0 HB2 ARG B1659 -8.847 8.681 -6.712 1.00 10.00 H new ATOM 0 HB3 ARG B1659 -9.690 10.200 -6.479 1.00 10.00 H new ATOM 0 HG2 ARG B1659 -7.846 11.323 -7.057 1.00 10.00 H new ATOM 0 HG3 ARG B1659 -6.986 10.640 -5.691 1.00 10.00 H new ATOM 0 HD2 ARG B1659 -5.761 10.108 -7.714 1.00 10.00 H new ATOM 0 HD3 ARG B1659 -6.430 8.626 -7.060 1.00 10.00 H new ATOM 0 HE ARG B1659 -8.267 8.860 -8.808 1.00 10.00 H new ATOM 0 HH11 ARG B1659 -5.099 10.365 -9.231 1.00 10.00 H new ATOM 0 HH12 ARG B1659 -5.204 10.368 -10.995 1.00 10.00 H new ATOM 0 HH21 ARG B1659 -8.366 8.812 -11.089 1.00 10.00 H new ATOM 0 HH22 ARG B1659 -7.044 9.493 -12.042 1.00 10.00 H new ATOM 1318 N LYS B1660 -10.793 7.790 -4.559 1.00 10.00 N ATOM 1319 CA LYS B1660 -12.168 7.406 -4.256 1.00 10.00 C ATOM 1320 C LYS B1660 -12.357 7.190 -2.756 1.00 10.00 C ATOM 1321 O LYS B1660 -13.458 7.354 -2.232 1.00 10.00 O ATOM 1322 CB LYS B1660 -12.592 6.162 -5.053 1.00 10.00 C ATOM 1323 CG LYS B1660 -11.958 4.863 -4.592 1.00 10.00 C ATOM 1324 CD LYS B1660 -12.898 4.047 -3.726 1.00 10.00 C ATOM 1325 CE LYS B1660 -14.071 3.516 -4.531 1.00 10.00 C ATOM 1326 NZ LYS B1660 -15.105 2.917 -3.656 1.00 10.00 N ATOM 0 H LYS B1660 -10.218 7.048 -4.959 1.00 10.00 H new ATOM 0 HA LYS B1660 -12.816 8.227 -4.562 1.00 10.00 H new ATOM 0 HB2 LYS B1660 -13.676 6.062 -4.993 1.00 10.00 H new ATOM 0 HB3 LYS B1660 -12.344 6.318 -6.103 1.00 10.00 H new ATOM 0 HG2 LYS B1660 -11.664 4.275 -5.461 1.00 10.00 H new ATOM 0 HG3 LYS B1660 -11.048 5.082 -4.033 1.00 10.00 H new ATOM 0 HD2 LYS B1660 -12.354 3.214 -3.280 1.00 10.00 H new ATOM 0 HD3 LYS B1660 -13.267 4.663 -2.906 1.00 10.00 H new ATOM 0 HE2 LYS B1660 -14.510 4.326 -5.113 1.00 10.00 H new ATOM 0 HE3 LYS B1660 -13.717 2.769 -5.241 1.00 10.00 H new ATOM 0 HZ1 LYS B1660 -15.891 2.565 -4.239 1.00 10.00 H new ATOM 0 HZ2 LYS B1660 -14.691 2.128 -3.119 1.00 10.00 H new ATOM 0 HZ3 LYS B1660 -15.460 3.637 -2.995 1.00 10.00 H new ATOM 1340 N PHE B1661 -11.274 6.842 -2.071 1.00 10.00 N ATOM 1341 CA PHE B1661 -11.302 6.612 -0.635 1.00 10.00 C ATOM 1342 C PHE B1661 -11.674 7.895 0.095 1.00 10.00 C ATOM 1343 O PHE B1661 -12.446 7.871 1.053 1.00 10.00 O ATOM 1344 CB PHE B1661 -9.944 6.091 -0.165 1.00 10.00 C ATOM 1345 CG PHE B1661 -9.982 5.404 1.160 1.00 10.00 C ATOM 1346 CD1 PHE B1661 -10.613 4.179 1.303 1.00 10.00 C ATOM 1347 CD2 PHE B1661 -9.379 5.984 2.260 1.00 10.00 C ATOM 1348 CE1 PHE B1661 -10.635 3.542 2.529 1.00 10.00 C ATOM 1349 CE2 PHE B1661 -9.399 5.358 3.486 1.00 10.00 C ATOM 1350 CZ PHE B1661 -10.029 4.136 3.626 1.00 10.00 C ATOM 0 H PHE B1661 -10.356 6.712 -2.495 1.00 10.00 H new ATOM 0 HA PHE B1661 -12.058 5.860 -0.407 1.00 10.00 H new ATOM 0 HB2 PHE B1661 -9.554 5.398 -0.911 1.00 10.00 H new ATOM 0 HB3 PHE B1661 -9.245 6.926 -0.110 1.00 10.00 H new ATOM 0 HD1 PHE B1661 -11.091 3.719 0.451 1.00 10.00 H new ATOM 0 HD2 PHE B1661 -8.886 6.940 2.157 1.00 10.00 H new ATOM 0 HE1 PHE B1661 -11.123 2.584 2.633 1.00 10.00 H new ATOM 0 HE2 PHE B1661 -8.923 5.821 4.337 1.00 10.00 H new ATOM 0 HZ PHE B1661 -10.049 3.645 4.588 1.00 10.00 H new ATOM 1360 N LYS B1662 -11.124 9.014 -0.369 1.00 10.00 N ATOM 1361 CA LYS B1662 -11.432 10.309 0.230 1.00 10.00 C ATOM 1362 C LYS B1662 -12.911 10.620 0.034 1.00 10.00 C ATOM 1363 O LYS B1662 -13.611 11.005 0.968 1.00 10.00 O ATOM 1364 CB LYS B1662 -10.569 11.427 -0.388 1.00 10.00 C ATOM 1365 CG LYS B1662 -9.064 11.168 -0.318 1.00 10.00 C ATOM 1366 CD LYS B1662 -8.256 12.464 -0.373 1.00 10.00 C ATOM 1367 CE LYS B1662 -6.773 12.234 -0.070 1.00 10.00 C ATOM 1368 NZ LYS B1662 -6.532 11.776 1.337 1.00 10.00 N ATOM 0 H LYS B1662 -10.469 9.051 -1.150 1.00 10.00 H new ATOM 0 HA LYS B1662 -11.206 10.261 1.295 1.00 10.00 H new ATOM 0 HB2 LYS B1662 -10.856 11.557 -1.432 1.00 10.00 H new ATOM 0 HB3 LYS B1662 -10.789 12.365 0.122 1.00 10.00 H new ATOM 0 HG2 LYS B1662 -8.831 10.634 0.603 1.00 10.00 H new ATOM 0 HG3 LYS B1662 -8.769 10.522 -1.144 1.00 10.00 H new ATOM 0 HD2 LYS B1662 -8.358 12.912 -1.361 1.00 10.00 H new ATOM 0 HD3 LYS B1662 -8.665 13.176 0.344 1.00 10.00 H new ATOM 0 HE2 LYS B1662 -6.376 11.491 -0.762 1.00 10.00 H new ATOM 0 HE3 LYS B1662 -6.223 13.159 -0.245 1.00 10.00 H new ATOM 0 HZ1 LYS B1662 -5.518 11.847 1.556 1.00 10.00 H new ATOM 0 HZ2 LYS B1662 -7.071 12.375 1.994 1.00 10.00 H new ATOM 0 HZ3 LYS B1662 -6.840 10.788 1.438 1.00 10.00 H new ATOM 1382 N LYS B1663 -13.378 10.412 -1.191 1.00 10.00 N ATOM 1383 CA LYS B1663 -14.770 10.646 -1.545 1.00 10.00 C ATOM 1384 C LYS B1663 -15.686 9.783 -0.679 1.00 10.00 C ATOM 1385 O LYS B1663 -16.724 10.244 -0.202 1.00 10.00 O ATOM 1386 CB LYS B1663 -15.000 10.336 -3.028 1.00 10.00 C ATOM 1387 CG LYS B1663 -14.178 11.197 -3.975 1.00 10.00 C ATOM 1388 CD LYS B1663 -14.456 10.853 -5.438 1.00 10.00 C ATOM 1389 CE LYS B1663 -13.596 11.681 -6.388 1.00 10.00 C ATOM 1390 NZ LYS B1663 -12.189 11.212 -6.393 1.00 10.00 N ATOM 0 H LYS B1663 -12.803 10.077 -1.964 1.00 10.00 H new ATOM 0 HA LYS B1663 -15.004 11.696 -1.367 1.00 10.00 H new ATOM 0 HB2 LYS B1663 -14.765 9.287 -3.210 1.00 10.00 H new ATOM 0 HB3 LYS B1663 -16.057 10.470 -3.257 1.00 10.00 H new ATOM 0 HG2 LYS B1663 -14.404 12.249 -3.799 1.00 10.00 H new ATOM 0 HG3 LYS B1663 -13.118 11.059 -3.764 1.00 10.00 H new ATOM 0 HD2 LYS B1663 -14.265 9.793 -5.605 1.00 10.00 H new ATOM 0 HD3 LYS B1663 -15.510 11.025 -5.658 1.00 10.00 H new ATOM 0 HE2 LYS B1663 -14.005 11.621 -7.397 1.00 10.00 H new ATOM 0 HE3 LYS B1663 -13.630 12.729 -6.092 1.00 10.00 H new ATOM 0 HZ1 LYS B1663 -11.550 12.031 -6.443 1.00 10.00 H new ATOM 0 HZ2 LYS B1663 -11.998 10.677 -5.522 1.00 10.00 H new ATOM 0 HZ3 LYS B1663 -12.031 10.598 -7.218 1.00 10.00 H new ATOM 1404 N ARG B1664 -15.288 8.523 -0.496 1.00 10.00 N ATOM 1405 CA ARG B1664 -16.036 7.574 0.329 1.00 10.00 C ATOM 1406 C ARG B1664 -16.238 8.145 1.733 1.00 10.00 C ATOM 1407 O ARG B1664 -17.349 8.136 2.264 1.00 10.00 O ATOM 1408 CB ARG B1664 -15.286 6.219 0.420 1.00 10.00 C ATOM 1409 CG ARG B1664 -16.192 5.005 0.647 1.00 10.00 C ATOM 1410 CD ARG B1664 -16.822 4.994 2.037 1.00 10.00 C ATOM 1411 NE ARG B1664 -15.848 4.806 3.116 1.00 10.00 N ATOM 1412 CZ ARG B1664 -16.120 5.035 4.411 1.00 10.00 C ATOM 1413 NH1 ARG B1664 -17.325 5.461 4.779 1.00 10.00 N ATOM 1414 NH2 ARG B1664 -15.200 4.796 5.337 1.00 10.00 N ATOM 0 H ARG B1664 -14.443 8.133 -0.913 1.00 10.00 H new ATOM 0 HA ARG B1664 -17.007 7.407 -0.136 1.00 10.00 H new ATOM 0 HB2 ARG B1664 -14.722 6.068 -0.500 1.00 10.00 H new ATOM 0 HB3 ARG B1664 -14.562 6.273 1.233 1.00 10.00 H new ATOM 0 HG2 ARG B1664 -16.981 4.999 -0.105 1.00 10.00 H new ATOM 0 HG3 ARG B1664 -15.612 4.093 0.508 1.00 10.00 H new ATOM 0 HD2 ARG B1664 -17.352 5.933 2.195 1.00 10.00 H new ATOM 0 HD3 ARG B1664 -17.565 4.198 2.085 1.00 10.00 H new ATOM 0 HE ARG B1664 -14.912 4.484 2.870 1.00 10.00 H new ATOM 0 HH11 ARG B1664 -18.048 5.615 4.076 1.00 10.00 H new ATOM 0 HH12 ARG B1664 -17.526 5.633 5.764 1.00 10.00 H new ATOM 0 HH21 ARG B1664 -14.284 4.438 5.066 1.00 10.00 H new ATOM 0 HH22 ARG B1664 -15.409 4.971 6.320 1.00 10.00 H new ATOM 1428 N LYS B1665 -15.158 8.685 2.294 1.00 10.00 N ATOM 1429 CA LYS B1665 -15.158 9.237 3.647 1.00 10.00 C ATOM 1430 C LYS B1665 -16.077 10.447 3.771 1.00 10.00 C ATOM 1431 O LYS B1665 -16.602 10.729 4.847 1.00 10.00 O ATOM 1432 CB LYS B1665 -13.729 9.624 4.038 1.00 10.00 C ATOM 1433 CG LYS B1665 -13.399 9.373 5.508 1.00 10.00 C ATOM 1434 CD LYS B1665 -13.606 7.908 5.896 1.00 10.00 C ATOM 1435 CE LYS B1665 -13.074 7.603 7.290 1.00 10.00 C ATOM 1436 NZ LYS B1665 -13.319 6.190 7.698 1.00 10.00 N ATOM 0 H LYS B1665 -14.256 8.752 1.822 1.00 10.00 H new ATOM 0 HA LYS B1665 -15.537 8.470 4.323 1.00 10.00 H new ATOM 0 HB2 LYS B1665 -13.029 9.064 3.418 1.00 10.00 H new ATOM 0 HB3 LYS B1665 -13.576 10.680 3.817 1.00 10.00 H new ATOM 0 HG2 LYS B1665 -12.365 9.657 5.702 1.00 10.00 H new ATOM 0 HG3 LYS B1665 -14.027 10.007 6.135 1.00 10.00 H new ATOM 0 HD2 LYS B1665 -14.669 7.669 5.854 1.00 10.00 H new ATOM 0 HD3 LYS B1665 -13.106 7.267 5.170 1.00 10.00 H new ATOM 0 HE2 LYS B1665 -12.003 7.806 7.319 1.00 10.00 H new ATOM 0 HE3 LYS B1665 -13.545 8.273 8.010 1.00 10.00 H new ATOM 0 HZ1 LYS B1665 -12.682 5.939 8.481 1.00 10.00 H new ATOM 0 HZ2 LYS B1665 -14.306 6.084 8.008 1.00 10.00 H new ATOM 0 HZ3 LYS B1665 -13.140 5.560 6.890 1.00 10.00 H new ATOM 1450 N GLU B1666 -16.267 11.151 2.664 1.00 10.00 N ATOM 1451 CA GLU B1666 -17.117 12.334 2.645 1.00 10.00 C ATOM 1452 C GLU B1666 -18.572 11.944 2.499 1.00 10.00 C ATOM 1453 O GLU B1666 -19.462 12.794 2.574 1.00 10.00 O ATOM 1454 CB GLU B1666 -16.737 13.258 1.490 1.00 10.00 C ATOM 1455 CG GLU B1666 -15.254 13.553 1.398 1.00 10.00 C ATOM 1456 CD GLU B1666 -14.989 14.972 0.958 1.00 10.00 C ATOM 1457 OE1 GLU B1666 -14.673 15.821 1.822 1.00 10.00 O ATOM 1458 OE2 GLU B1666 -15.104 15.250 -0.254 1.00 10.00 O ATOM 0 H GLU B1666 -15.843 10.923 1.765 1.00 10.00 H new ATOM 0 HA GLU B1666 -16.972 12.857 3.590 1.00 10.00 H new ATOM 0 HB2 GLU B1666 -17.066 12.806 0.554 1.00 10.00 H new ATOM 0 HB3 GLU B1666 -17.278 14.198 1.598 1.00 10.00 H new ATOM 0 HG2 GLU B1666 -14.789 13.381 2.369 1.00 10.00 H new ATOM 0 HG3 GLU B1666 -14.789 12.862 0.695 1.00 10.00 H new ATOM 1465 N GLN B1667 -18.820 10.669 2.276 1.00 10.00 N ATOM 1466 CA GLN B1667 -20.168 10.201 2.112 1.00 10.00 C ATOM 1467 C GLN B1667 -20.638 9.437 3.343 1.00 10.00 C ATOM 1468 O GLN B1667 -21.405 9.956 4.158 1.00 10.00 O ATOM 1469 CB GLN B1667 -20.257 9.320 0.869 1.00 10.00 C ATOM 1470 CG GLN B1667 -20.071 10.088 -0.419 1.00 10.00 C ATOM 1471 CD GLN B1667 -21.224 11.020 -0.681 1.00 10.00 C ATOM 1472 OE1 GLN B1667 -21.188 12.187 -0.306 1.00 10.00 O ATOM 1473 NE2 GLN B1667 -22.263 10.506 -1.310 1.00 10.00 N ATOM 0 H GLN B1667 -18.104 9.946 2.206 1.00 10.00 H new ATOM 0 HA GLN B1667 -20.823 11.064 1.988 1.00 10.00 H new ATOM 0 HB2 GLN B1667 -19.500 8.538 0.931 1.00 10.00 H new ATOM 0 HB3 GLN B1667 -21.227 8.824 0.852 1.00 10.00 H new ATOM 0 HG2 GLN B1667 -19.144 10.660 -0.372 1.00 10.00 H new ATOM 0 HG3 GLN B1667 -19.972 9.389 -1.249 1.00 10.00 H new ATOM 0 HE21 GLN B1667 -22.249 9.529 -1.604 1.00 10.00 H new ATOM 0 HE22 GLN B1667 -23.080 11.085 -1.503 1.00 10.00 H new ATOM 1482 N GLY B1668 -20.154 8.217 3.486 1.00 10.00 N ATOM 1483 CA GLY B1668 -20.540 7.386 4.600 1.00 10.00 C ATOM 1484 C GLY B1668 -20.524 5.921 4.215 1.00 10.00 C ATOM 1485 O GLY B1668 -21.327 5.139 4.763 1.00 10.00 O ATOM 1486 OXT GLY B1668 -19.701 5.547 3.351 1.00 10.00 O ATOM 0 H GLY B1668 -19.493 7.784 2.842 1.00 10.00 H new ATOM 0 HA2 GLY B1668 -19.861 7.554 5.436 1.00 10.00 H new ATOM 0 HA3 GLY B1668 -21.537 7.666 4.939 1.00 10.00 H new