USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 658 hydrogens (19 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 NoAdj-H: P 4 M3L H2 : P 4 M3L N : P 3 THR C :(H bumps) USER MOD NoAdj-H: P 4 M3L H : P 4 M3L N : P 3 THR C :(H bumps) USER MOD NoAdj-H: A 893 HIS HD1 : A 893 HIS ND1 : A 941 ZNZN :(H bumps) USER MOD Single : A 851 SER OG : rot 28:sc= 1.21 USER MOD Single : A 852 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 853 MET CE :methyl 162:sc= -0.106 (180deg=-0.521) USER MOD Single : A 855 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= -0.505! X(o=-0.5!,f=-0.72) USER MOD Single : A 866 GLN : amide:sc= -0.681 K(o=-0.68,f=0) USER MOD Single : A 870 CYS SG : rot -163:sc= 1.8 USER MOD Single : A 874 ASN : amide:sc= -0.78 K(o=-0.78,f=-0.22) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 880 SER OG : rot 180:sc= -0.276 USER MOD Single : A 882 MET CE :methyl -137:sc= -0.204 (180deg=-0.689) USER MOD Single : A 892 TYR OH : rot 63:sc= -0.258 USER MOD Single : A 900 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 907 MET CE :methyl 172:sc= 0 (180deg=-0.0849) USER MOD Single : A 908 GLN : amide:sc= -1.46! K(o=-1.5!,f=-0.068) USER MOD Single : A 913 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 916 ASN : amide:sc= 0.165 K(o=0.17,f=-0.85) USER MOD Single : A 917 LYS NZ :NH3+ -158:sc= 1.27 (180deg=1.04) USER MOD Single : A 919 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0424) USER MOD Single : A 920 LYS NZ :NH3+ 144:sc= -0.363 (180deg=-1.96!) USER MOD Single : A 922 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 923 LYS NZ :NH3+ 170:sc= -0.0182 (180deg=-0.19) USER MOD Single : A 924 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : P 1 ALA N :NH3+ -148:sc= 1.71 (180deg=0.712) USER MOD Single : P 3 THR OG1 : rot 140:sc= 0 USER MOD Single : P 5 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.074) USER MOD Single : P 6 THR OG1 : rot 180:sc= 0 USER MOD Single : P 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 10 SER OG : rot 95:sc= 1.24 USER MOD Single : P 11 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 13.389 5.988 4.562 1.00 0.00 N ATOM 2 CA ALA P 1 12.701 5.659 3.324 1.00 0.00 C ATOM 3 C ALA P 1 11.561 4.769 3.646 1.00 0.00 C ATOM 4 O ALA P 1 11.695 3.549 3.675 1.00 0.00 O ATOM 5 CB ALA P 1 13.616 4.963 2.325 1.00 0.00 C ATOM 0 H1 ALA P 1 13.790 6.945 4.493 1.00 0.00 H new ATOM 0 H2 ALA P 1 12.716 5.951 5.354 1.00 0.00 H new ATOM 0 H3 ALA P 1 14.154 5.303 4.726 1.00 0.00 H new ATOM 0 HA ALA P 1 12.361 6.587 2.863 1.00 0.00 H new ATOM 0 HB1 ALA P 1 13.058 4.737 1.416 1.00 0.00 H new ATOM 0 HB2 ALA P 1 14.454 5.616 2.083 1.00 0.00 H new ATOM 0 HB3 ALA P 1 13.992 4.037 2.760 1.00 0.00 H new ATOM 13 N ARG P 2 10.464 5.360 3.968 1.00 0.00 N ATOM 14 CA ARG P 2 9.313 4.611 4.321 1.00 0.00 C ATOM 15 C ARG P 2 8.554 4.277 3.066 1.00 0.00 C ATOM 16 O ARG P 2 8.503 5.086 2.140 1.00 0.00 O ATOM 17 CB ARG P 2 8.436 5.412 5.262 1.00 0.00 C ATOM 18 CG ARG P 2 7.423 4.568 5.963 1.00 0.00 C ATOM 19 CD ARG P 2 6.544 5.392 6.862 1.00 0.00 C ATOM 20 NE ARG P 2 5.558 4.573 7.550 1.00 0.00 N ATOM 21 CZ ARG P 2 4.422 5.026 8.081 1.00 0.00 C ATOM 22 NH1 ARG P 2 4.137 6.338 8.071 1.00 0.00 N ATOM 23 NH2 ARG P 2 3.587 4.171 8.637 1.00 0.00 N ATOM 0 H ARG P 2 10.341 6.372 3.994 1.00 0.00 H new ATOM 0 HA ARG P 2 9.611 3.694 4.829 1.00 0.00 H new ATOM 0 HB2 ARG P 2 9.063 5.910 6.002 1.00 0.00 H new ATOM 0 HB3 ARG P 2 7.925 6.194 4.700 1.00 0.00 H new ATOM 0 HG2 ARG P 2 6.808 4.050 5.227 1.00 0.00 H new ATOM 0 HG3 ARG P 2 7.930 3.803 6.551 1.00 0.00 H new ATOM 0 HD2 ARG P 2 7.160 5.913 7.595 1.00 0.00 H new ATOM 0 HD3 ARG P 2 6.036 6.156 6.273 1.00 0.00 H new ATOM 0 HE ARG P 2 5.751 3.575 7.633 1.00 0.00 H new ATOM 0 HH11 ARG P 2 4.793 6.999 7.654 1.00 0.00 H new ATOM 0 HH12 ARG P 2 3.265 6.674 8.480 1.00 0.00 H new ATOM 0 HH21 ARG P 2 3.814 3.177 8.657 1.00 0.00 H new ATOM 0 HH22 ARG P 2 2.714 4.504 9.047 1.00 0.00 H new ATOM 37 N THR P 3 8.007 3.100 3.006 1.00 0.00 N ATOM 38 CA THR P 3 7.243 2.698 1.870 1.00 0.00 C ATOM 39 C THR P 3 5.888 2.179 2.321 1.00 0.00 C ATOM 40 O THR P 3 5.768 1.582 3.402 1.00 0.00 O ATOM 41 CB THR P 3 7.998 1.629 1.046 1.00 0.00 C ATOM 42 OG1 THR P 3 8.438 0.573 1.909 1.00 0.00 O ATOM 43 CG2 THR P 3 9.203 2.237 0.337 1.00 0.00 C ATOM 0 H THR P 3 8.079 2.396 3.741 1.00 0.00 H new ATOM 0 HA THR P 3 7.091 3.563 1.225 1.00 0.00 H new ATOM 0 HB THR P 3 7.315 1.233 0.295 1.00 0.00 H new ATOM 0 HG1 THR P 3 8.315 -0.289 1.460 1.00 0.00 H new ATOM 0 HG21 THR P 3 9.716 1.464 -0.235 1.00 0.00 H new ATOM 0 HG22 THR P 3 8.869 3.026 -0.337 1.00 0.00 H new ATOM 0 HG23 THR P 3 9.886 2.656 1.076 1.00 0.00 H new HETATM 51 N M3L P 4 4.868 2.459 1.547 1.00 0.00 N HETATM 52 CA M3L P 4 3.532 2.008 1.848 1.00 0.00 C HETATM 53 CB M3L P 4 2.860 2.908 2.905 1.00 0.00 C HETATM 54 CG M3L P 4 3.099 4.389 2.699 1.00 0.00 C HETATM 55 CD M3L P 4 1.821 5.193 2.780 1.00 0.00 C HETATM 56 CE M3L P 4 1.130 5.299 1.410 1.00 0.00 C HETATM 57 NZ M3L P 4 0.289 6.574 1.317 1.00 0.00 N HETATM 58 C M3L P 4 2.726 2.042 0.592 1.00 0.00 C HETATM 59 O M3L P 4 3.066 2.795 -0.342 1.00 0.00 O HETATM 60 CM1 M3L P 4 -0.653 6.459 0.125 1.00 0.00 C HETATM 61 CM2 M3L P 4 -0.533 6.755 2.589 1.00 0.00 C HETATM 62 CM3 M3L P 4 1.201 7.775 1.123 1.00 0.00 C HETATM 0 HM33 M3L P 4 1.884 7.853 1.969 1.00 0.00 H new HETATM 0 HM32 M3L P 4 1.774 7.652 0.204 1.00 0.00 H new HETATM 0 HM31 M3L P 4 0.600 8.682 1.057 1.00 0.00 H new HETATM 0 HM23 M3L P 4 -1.195 5.899 2.719 1.00 0.00 H new HETATM 0 HM22 M3L P 4 0.136 6.830 3.447 1.00 0.00 H new HETATM 0 HM21 M3L P 4 -1.127 7.665 2.512 1.00 0.00 H new HETATM 0 HM13 M3L P 4 -0.071 6.335 -0.788 1.00 0.00 H new HETATM 0 HM12 M3L P 4 -1.306 5.597 0.259 1.00 0.00 H new HETATM 0 HM11 M3L P 4 -1.257 7.363 0.050 1.00 0.00 H new HETATM 0 HG3 M3L P 4 3.801 4.750 3.451 1.00 0.00 H new HETATM 0 HG2 M3L P 4 3.565 4.548 1.726 1.00 0.00 H new HETATM 0 HE3 M3L P 4 1.880 5.295 0.619 1.00 0.00 H new HETATM 0 HE2 M3L P 4 0.495 4.428 1.251 1.00 0.00 H new HETATM 0 HD3 M3L P 4 1.143 4.728 3.495 1.00 0.00 H new HETATM 0 HD2 M3L P 4 2.042 6.192 3.155 1.00 0.00 H new HETATM 0 HB3 M3L P 4 1.786 2.720 2.897 1.00 0.00 H new HETATM 0 HB2 M3L P 4 3.226 2.626 3.892 1.00 0.00 H new HETATM 0 HA M3L P 4 3.586 0.996 2.250 1.00 0.00 H new ATOM 82 N GLN P 5 1.696 1.236 0.548 1.00 0.00 N ATOM 83 CA GLN P 5 0.789 1.192 -0.559 1.00 0.00 C ATOM 84 C GLN P 5 -0.497 0.536 -0.180 1.00 0.00 C ATOM 85 O GLN P 5 -0.625 -0.003 0.918 1.00 0.00 O ATOM 86 CB GLN P 5 1.421 0.549 -1.801 1.00 0.00 C ATOM 87 CG GLN P 5 2.167 -0.766 -1.624 1.00 0.00 C ATOM 88 CD GLN P 5 1.266 -1.941 -1.528 1.00 0.00 C ATOM 89 OE1 GLN P 5 0.875 -2.373 -0.453 1.00 0.00 O ATOM 90 NE2 GLN P 5 0.877 -2.421 -2.660 1.00 0.00 N ATOM 0 H GLN P 5 1.464 0.582 1.296 1.00 0.00 H new ATOM 0 HA GLN P 5 0.560 2.223 -0.830 1.00 0.00 H new ATOM 0 HB2 GLN P 5 0.629 0.388 -2.533 1.00 0.00 H new ATOM 0 HB3 GLN P 5 2.114 1.270 -2.234 1.00 0.00 H new ATOM 0 HG2 GLN P 5 2.848 -0.906 -2.464 1.00 0.00 H new ATOM 0 HG3 GLN P 5 2.779 -0.711 -0.724 1.00 0.00 H new ATOM 0 HE21 GLN P 5 1.232 -2.026 -3.531 1.00 0.00 H new ATOM 0 HE22 GLN P 5 0.214 -3.196 -2.685 1.00 0.00 H new ATOM 99 N THR P 6 -1.443 0.605 -1.053 1.00 0.00 N ATOM 100 CA THR P 6 -2.706 0.004 -0.833 1.00 0.00 C ATOM 101 C THR P 6 -2.830 -1.251 -1.676 1.00 0.00 C ATOM 102 O THR P 6 -3.142 -2.329 -1.164 1.00 0.00 O ATOM 103 CB THR P 6 -3.822 0.990 -1.195 1.00 0.00 C ATOM 104 OG1 THR P 6 -3.673 2.176 -0.397 1.00 0.00 O ATOM 105 CG2 THR P 6 -5.198 0.375 -0.969 1.00 0.00 C ATOM 0 H THR P 6 -1.357 1.086 -1.948 1.00 0.00 H new ATOM 0 HA THR P 6 -2.797 -0.263 0.220 1.00 0.00 H new ATOM 0 HB THR P 6 -3.742 1.240 -2.253 1.00 0.00 H new ATOM 0 HG1 THR P 6 -4.382 2.814 -0.623 1.00 0.00 H new ATOM 0 HG21 THR P 6 -5.968 1.099 -1.235 1.00 0.00 H new ATOM 0 HG22 THR P 6 -5.306 -0.514 -1.590 1.00 0.00 H new ATOM 0 HG23 THR P 6 -5.306 0.100 0.080 1.00 0.00 H new ATOM 113 N ALA P 7 -2.542 -1.126 -2.949 1.00 0.00 N ATOM 114 CA ALA P 7 -2.706 -2.219 -3.842 1.00 0.00 C ATOM 115 C ALA P 7 -1.666 -2.193 -4.929 1.00 0.00 C ATOM 116 O ALA P 7 -0.806 -1.304 -4.987 1.00 0.00 O ATOM 117 CB ALA P 7 -4.097 -2.175 -4.465 1.00 0.00 C ATOM 0 H ALA P 7 -2.192 -0.270 -3.379 1.00 0.00 H new ATOM 0 HA ALA P 7 -2.587 -3.141 -3.274 1.00 0.00 H new ATOM 0 HB1 ALA P 7 -4.216 -3.016 -5.149 1.00 0.00 H new ATOM 0 HB2 ALA P 7 -4.850 -2.237 -3.679 1.00 0.00 H new ATOM 0 HB3 ALA P 7 -4.221 -1.241 -5.013 1.00 0.00 H new ATOM 123 N ARG P 8 -1.723 -3.202 -5.731 1.00 0.00 N ATOM 124 CA ARG P 8 -0.954 -3.338 -6.934 1.00 0.00 C ATOM 125 C ARG P 8 -1.931 -3.923 -7.900 1.00 0.00 C ATOM 126 O ARG P 8 -2.521 -4.965 -7.606 1.00 0.00 O ATOM 127 CB ARG P 8 0.243 -4.300 -6.771 1.00 0.00 C ATOM 128 CG ARG P 8 1.191 -3.952 -5.638 1.00 0.00 C ATOM 129 CD ARG P 8 2.403 -4.865 -5.610 1.00 0.00 C ATOM 130 NE ARG P 8 3.342 -4.584 -6.706 1.00 0.00 N ATOM 131 CZ ARG P 8 4.444 -5.299 -6.969 1.00 0.00 C ATOM 132 NH1 ARG P 8 4.638 -6.473 -6.373 1.00 0.00 N ATOM 133 NH2 ARG P 8 5.323 -4.853 -7.858 1.00 0.00 N ATOM 0 H ARG P 8 -2.337 -3.998 -5.561 1.00 0.00 H new ATOM 0 HA ARG P 8 -0.524 -2.385 -7.242 1.00 0.00 H new ATOM 0 HB2 ARG P 8 -0.139 -5.308 -6.610 1.00 0.00 H new ATOM 0 HB3 ARG P 8 0.806 -4.318 -7.704 1.00 0.00 H new ATOM 0 HG2 ARG P 8 1.519 -2.918 -5.744 1.00 0.00 H new ATOM 0 HG3 ARG P 8 0.662 -4.023 -4.688 1.00 0.00 H new ATOM 0 HD2 ARG P 8 2.918 -4.752 -4.656 1.00 0.00 H new ATOM 0 HD3 ARG P 8 2.075 -5.902 -5.674 1.00 0.00 H new ATOM 0 HE ARG P 8 3.140 -3.787 -7.310 1.00 0.00 H new ATOM 0 HH11 ARG P 8 3.947 -6.831 -5.714 1.00 0.00 H new ATOM 0 HH12 ARG P 8 5.478 -7.015 -6.575 1.00 0.00 H new ATOM 0 HH21 ARG P 8 5.158 -3.968 -8.338 1.00 0.00 H new ATOM 0 HH22 ARG P 8 6.163 -5.395 -8.061 1.00 0.00 H new ATOM 147 N LYS P 9 -2.172 -3.259 -8.991 1.00 0.00 N ATOM 148 CA LYS P 9 -3.167 -3.726 -9.921 1.00 0.00 C ATOM 149 C LYS P 9 -2.619 -4.868 -10.750 1.00 0.00 C ATOM 150 O LYS P 9 -1.979 -4.665 -11.789 1.00 0.00 O ATOM 151 CB LYS P 9 -3.704 -2.586 -10.787 1.00 0.00 C ATOM 152 CG LYS P 9 -4.279 -1.445 -9.961 1.00 0.00 C ATOM 153 CD LYS P 9 -4.826 -0.331 -10.824 1.00 0.00 C ATOM 154 CE LYS P 9 -5.333 0.803 -9.955 1.00 0.00 C ATOM 155 NZ LYS P 9 -5.914 1.898 -10.743 1.00 0.00 N ATOM 0 H LYS P 9 -1.699 -2.397 -9.262 1.00 0.00 H new ATOM 0 HA LYS P 9 -4.016 -4.108 -9.355 1.00 0.00 H new ATOM 0 HB2 LYS P 9 -2.901 -2.204 -11.418 1.00 0.00 H new ATOM 0 HB3 LYS P 9 -4.476 -2.973 -11.453 1.00 0.00 H new ATOM 0 HG2 LYS P 9 -5.073 -1.828 -9.320 1.00 0.00 H new ATOM 0 HG3 LYS P 9 -3.504 -1.047 -9.306 1.00 0.00 H new ATOM 0 HD2 LYS P 9 -4.048 0.035 -11.495 1.00 0.00 H new ATOM 0 HD3 LYS P 9 -5.635 -0.709 -11.450 1.00 0.00 H new ATOM 0 HE2 LYS P 9 -6.083 0.419 -9.264 1.00 0.00 H new ATOM 0 HE3 LYS P 9 -4.512 1.190 -9.352 1.00 0.00 H new ATOM 0 HZ1 LYS P 9 -6.246 2.648 -10.103 1.00 0.00 H new ATOM 0 HZ2 LYS P 9 -5.193 2.284 -11.385 1.00 0.00 H new ATOM 0 HZ3 LYS P 9 -6.716 1.538 -11.299 1.00 0.00 H new ATOM 169 N SER P 10 -2.811 -6.052 -10.246 1.00 0.00 N ATOM 170 CA SER P 10 -2.334 -7.237 -10.863 1.00 0.00 C ATOM 171 C SER P 10 -3.308 -7.693 -11.936 1.00 0.00 C ATOM 172 O SER P 10 -4.488 -7.933 -11.673 1.00 0.00 O ATOM 173 CB SER P 10 -2.105 -8.333 -9.811 1.00 0.00 C ATOM 174 OG SER P 10 -1.607 -9.533 -10.404 1.00 0.00 O ATOM 0 H SER P 10 -3.316 -6.215 -9.375 1.00 0.00 H new ATOM 0 HA SER P 10 -1.376 -7.031 -11.341 1.00 0.00 H new ATOM 0 HB2 SER P 10 -1.399 -7.977 -9.061 1.00 0.00 H new ATOM 0 HB3 SER P 10 -3.041 -8.543 -9.293 1.00 0.00 H new ATOM 0 HG SER P 10 -0.629 -9.547 -10.342 1.00 0.00 H new ATOM 180 N THR P 11 -2.822 -7.756 -13.141 1.00 0.00 N ATOM 181 CA THR P 11 -3.585 -8.216 -14.272 1.00 0.00 C ATOM 182 C THR P 11 -3.001 -9.584 -14.684 1.00 0.00 C ATOM 183 O THR P 11 -2.923 -9.947 -15.852 1.00 0.00 O ATOM 184 CB THR P 11 -3.425 -7.183 -15.399 1.00 0.00 C ATOM 185 OG1 THR P 11 -3.586 -5.868 -14.819 1.00 0.00 O ATOM 186 CG2 THR P 11 -4.497 -7.370 -16.455 1.00 0.00 C ATOM 0 H THR P 11 -1.867 -7.485 -13.373 1.00 0.00 H new ATOM 0 HA THR P 11 -4.646 -8.326 -14.047 1.00 0.00 H new ATOM 0 HB THR P 11 -2.446 -7.304 -15.864 1.00 0.00 H new ATOM 0 HG1 THR P 11 -3.487 -5.188 -15.518 1.00 0.00 H new ATOM 0 HG21 THR P 11 -4.365 -6.629 -17.243 1.00 0.00 H new ATOM 0 HG22 THR P 11 -4.418 -8.370 -16.881 1.00 0.00 H new ATOM 0 HG23 THR P 11 -5.480 -7.246 -16.001 1.00 0.00 H new ATOM 194 N GLY P 12 -2.613 -10.327 -13.680 1.00 0.00 N ATOM 195 CA GLY P 12 -1.988 -11.594 -13.873 1.00 0.00 C ATOM 196 C GLY P 12 -0.694 -11.599 -13.143 1.00 0.00 C ATOM 197 O GLY P 12 -0.515 -12.334 -12.170 1.00 0.00 O ATOM 0 H GLY P 12 -2.726 -10.061 -12.702 1.00 0.00 H new ATOM 0 HA2 GLY P 12 -2.632 -12.393 -13.507 1.00 0.00 H new ATOM 0 HA3 GLY P 12 -1.824 -11.777 -14.935 1.00 0.00 H new ATOM 201 N GLY P 13 0.195 -10.755 -13.583 1.00 0.00 N ATOM 202 CA GLY P 13 1.443 -10.585 -12.928 1.00 0.00 C ATOM 203 C GLY P 13 1.402 -9.332 -12.110 1.00 0.00 C ATOM 204 O GLY P 13 1.029 -9.396 -10.916 1.00 0.00 O ATOM 205 OXT GLY P 13 1.677 -8.250 -12.666 1.00 0.00 O ATOM 0 H GLY P 13 0.067 -10.169 -14.408 1.00 0.00 H new ATOM 0 HA2 GLY P 13 1.652 -11.444 -12.290 1.00 0.00 H new ATOM 0 HA3 GLY P 13 2.248 -10.529 -13.661 1.00 0.00 H new TER 209 GLY P 13 ATOM 210 N GLY A 850 3.350 16.660 5.014 1.00 0.00 N ATOM 211 CA GLY A 850 3.327 17.827 5.879 1.00 0.00 C ATOM 212 C GLY A 850 2.032 18.569 5.750 1.00 0.00 C ATOM 213 O GLY A 850 1.610 18.919 4.639 1.00 0.00 O ATOM 0 HA2 GLY A 850 3.471 17.519 6.914 1.00 0.00 H new ATOM 0 HA3 GLY A 850 4.155 18.488 5.625 1.00 0.00 H new ATOM 219 N SER A 851 1.371 18.765 6.861 1.00 0.00 N ATOM 220 CA SER A 851 0.151 19.487 6.914 1.00 0.00 C ATOM 221 C SER A 851 -0.011 20.069 8.313 1.00 0.00 C ATOM 222 O SER A 851 -0.421 19.375 9.251 1.00 0.00 O ATOM 223 CB SER A 851 -1.044 18.582 6.551 1.00 0.00 C ATOM 224 OG SER A 851 -2.248 19.328 6.464 1.00 0.00 O ATOM 0 H SER A 851 1.682 18.415 7.767 1.00 0.00 H new ATOM 0 HA SER A 851 0.175 20.295 6.183 1.00 0.00 H new ATOM 0 HB2 SER A 851 -0.851 18.086 5.600 1.00 0.00 H new ATOM 0 HB3 SER A 851 -1.152 17.800 7.302 1.00 0.00 H new ATOM 0 HG SER A 851 -2.043 20.251 6.208 1.00 0.00 H new ATOM 230 N HIS A 852 0.388 21.305 8.468 1.00 0.00 N ATOM 231 CA HIS A 852 0.266 21.979 9.746 1.00 0.00 C ATOM 232 C HIS A 852 -0.824 23.030 9.674 1.00 0.00 C ATOM 233 O HIS A 852 -1.878 22.882 10.288 1.00 0.00 O ATOM 234 CB HIS A 852 1.604 22.593 10.197 1.00 0.00 C ATOM 235 CG HIS A 852 2.682 21.586 10.508 1.00 0.00 C ATOM 236 ND1 HIS A 852 3.014 21.268 11.804 1.00 0.00 N ATOM 237 CD2 HIS A 852 3.468 20.875 9.667 1.00 0.00 C ATOM 238 CE1 HIS A 852 3.986 20.373 11.727 1.00 0.00 C ATOM 239 NE2 HIS A 852 4.295 20.103 10.455 1.00 0.00 N ATOM 0 H HIS A 852 0.802 21.871 7.727 1.00 0.00 H new ATOM 0 HA HIS A 852 -0.010 21.239 10.497 1.00 0.00 H new ATOM 0 HB2 HIS A 852 1.964 23.262 9.415 1.00 0.00 H new ATOM 0 HB3 HIS A 852 1.429 23.204 11.083 1.00 0.00 H new ATOM 0 HD2 HIS A 852 3.451 20.906 8.588 1.00 0.00 H new ATOM 0 HE1 HIS A 852 4.467 19.920 12.581 1.00 0.00 H new ATOM 0 HE2 HIS A 852 5.007 19.450 10.129 1.00 0.00 H new ATOM 247 N MET A 853 -0.588 24.071 8.898 1.00 0.00 N ATOM 248 CA MET A 853 -1.569 25.142 8.710 1.00 0.00 C ATOM 249 C MET A 853 -1.940 25.218 7.247 1.00 0.00 C ATOM 250 O MET A 853 -2.557 26.177 6.778 1.00 0.00 O ATOM 251 CB MET A 853 -1.011 26.490 9.185 1.00 0.00 C ATOM 252 CG MET A 853 -0.654 26.535 10.663 1.00 0.00 C ATOM 253 SD MET A 853 -0.036 28.149 11.193 1.00 0.00 S ATOM 254 CE MET A 853 -1.487 29.181 10.933 1.00 0.00 C ATOM 0 H MET A 853 0.280 24.205 8.380 1.00 0.00 H new ATOM 0 HA MET A 853 -2.454 24.920 9.306 1.00 0.00 H new ATOM 0 HB2 MET A 853 -0.122 26.728 8.601 1.00 0.00 H new ATOM 0 HB3 MET A 853 -1.746 27.268 8.977 1.00 0.00 H new ATOM 0 HG2 MET A 853 -1.535 26.278 11.252 1.00 0.00 H new ATOM 0 HG3 MET A 853 0.101 25.777 10.872 1.00 0.00 H new ATOM 0 HE1 MET A 853 -1.380 30.108 11.497 1.00 0.00 H new ATOM 0 HE2 MET A 853 -1.585 29.411 9.872 1.00 0.00 H new ATOM 0 HE3 MET A 853 -2.377 28.650 11.272 1.00 0.00 H new ATOM 264 N ALA A 854 -1.567 24.189 6.546 1.00 0.00 N ATOM 265 CA ALA A 854 -1.793 24.051 5.138 1.00 0.00 C ATOM 266 C ALA A 854 -1.679 22.584 4.837 1.00 0.00 C ATOM 267 O ALA A 854 -1.378 21.799 5.746 1.00 0.00 O ATOM 268 CB ALA A 854 -0.741 24.836 4.353 1.00 0.00 C ATOM 0 H ALA A 854 -1.078 23.392 6.955 1.00 0.00 H new ATOM 0 HA ALA A 854 -2.770 24.440 4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -0.925 24.722 3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -0.799 25.891 4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 854 0.252 24.455 4.593 1.00 0.00 H new ATOM 274 N MET A 855 -1.918 22.201 3.626 1.00 0.00 N ATOM 275 CA MET A 855 -1.768 20.828 3.220 1.00 0.00 C ATOM 276 C MET A 855 -0.853 20.770 2.013 1.00 0.00 C ATOM 277 O MET A 855 -1.202 21.224 0.929 1.00 0.00 O ATOM 278 CB MET A 855 -3.139 20.141 2.961 1.00 0.00 C ATOM 279 CG MET A 855 -4.039 20.829 1.938 1.00 0.00 C ATOM 280 SD MET A 855 -5.604 19.962 1.686 1.00 0.00 S ATOM 281 CE MET A 855 -6.380 21.019 0.469 1.00 0.00 C ATOM 0 H MET A 855 -2.224 22.828 2.882 1.00 0.00 H new ATOM 0 HA MET A 855 -1.312 20.263 4.033 1.00 0.00 H new ATOM 0 HB2 MET A 855 -2.956 19.119 2.628 1.00 0.00 H new ATOM 0 HB3 MET A 855 -3.677 20.077 3.907 1.00 0.00 H new ATOM 0 HG2 MET A 855 -4.242 21.848 2.267 1.00 0.00 H new ATOM 0 HG3 MET A 855 -3.511 20.901 0.987 1.00 0.00 H new ATOM 0 HE1 MET A 855 -7.359 20.616 0.209 1.00 0.00 H new ATOM 0 HE2 MET A 855 -6.498 22.022 0.880 1.00 0.00 H new ATOM 0 HE3 MET A 855 -5.757 21.064 -0.424 1.00 0.00 H new ATOM 291 N ALA A 856 0.340 20.282 2.216 1.00 0.00 N ATOM 292 CA ALA A 856 1.316 20.228 1.160 1.00 0.00 C ATOM 293 C ALA A 856 1.274 18.897 0.475 1.00 0.00 C ATOM 294 O ALA A 856 1.573 17.869 1.095 1.00 0.00 O ATOM 295 CB ALA A 856 2.693 20.467 1.712 1.00 0.00 C ATOM 0 H ALA A 856 0.662 19.913 3.111 1.00 0.00 H new ATOM 0 HA ALA A 856 1.080 21.007 0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 856 3.422 20.423 0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 856 2.731 21.450 2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 856 2.926 19.701 2.452 1.00 0.00 H new ATOM 301 N TYR A 857 0.827 18.908 -0.780 1.00 0.00 N ATOM 302 CA TYR A 857 0.772 17.725 -1.641 1.00 0.00 C ATOM 303 C TYR A 857 -0.194 16.663 -1.163 1.00 0.00 C ATOM 304 O TYR A 857 -0.276 15.581 -1.716 1.00 0.00 O ATOM 305 CB TYR A 857 2.157 17.176 -1.917 1.00 0.00 C ATOM 306 CG TYR A 857 2.907 17.983 -2.953 1.00 0.00 C ATOM 307 CD1 TYR A 857 3.476 19.213 -2.641 1.00 0.00 C ATOM 308 CD2 TYR A 857 3.009 17.532 -4.255 1.00 0.00 C ATOM 309 CE1 TYR A 857 4.128 19.958 -3.599 1.00 0.00 C ATOM 310 CE2 TYR A 857 3.650 18.272 -5.218 1.00 0.00 C ATOM 311 CZ TYR A 857 4.208 19.481 -4.886 1.00 0.00 C ATOM 312 OH TYR A 857 4.842 20.217 -5.843 1.00 0.00 O ATOM 0 H TYR A 857 0.486 19.754 -1.236 1.00 0.00 H new ATOM 0 HA TYR A 857 0.359 18.063 -2.592 1.00 0.00 H new ATOM 0 HB2 TYR A 857 2.729 17.161 -0.989 1.00 0.00 H new ATOM 0 HB3 TYR A 857 2.073 16.144 -2.257 1.00 0.00 H new ATOM 0 HD1 TYR A 857 3.406 19.590 -1.631 1.00 0.00 H new ATOM 0 HD2 TYR A 857 2.576 16.579 -4.521 1.00 0.00 H new ATOM 0 HE1 TYR A 857 4.572 20.908 -3.341 1.00 0.00 H new ATOM 0 HE2 TYR A 857 3.715 17.904 -6.231 1.00 0.00 H new ATOM 0 HH TYR A 857 4.811 19.738 -6.698 1.00 0.00 H new ATOM 322 N VAL A 858 -0.905 16.982 -0.148 1.00 0.00 N ATOM 323 CA VAL A 858 -1.956 16.143 0.341 1.00 0.00 C ATOM 324 C VAL A 858 -3.262 16.799 -0.036 1.00 0.00 C ATOM 325 O VAL A 858 -3.455 17.979 0.248 1.00 0.00 O ATOM 326 CB VAL A 858 -1.904 15.985 1.885 1.00 0.00 C ATOM 327 CG1 VAL A 858 -2.991 15.042 2.364 1.00 0.00 C ATOM 328 CG2 VAL A 858 -0.544 15.497 2.346 1.00 0.00 C ATOM 0 H VAL A 858 -0.779 17.845 0.382 1.00 0.00 H new ATOM 0 HA VAL A 858 -1.851 15.149 -0.094 1.00 0.00 H new ATOM 0 HB VAL A 858 -2.075 16.969 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 858 -2.937 14.945 3.448 1.00 0.00 H new ATOM 0 HG12 VAL A 858 -3.967 15.439 2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 858 -2.852 14.063 1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 858 -0.542 15.397 3.431 1.00 0.00 H new ATOM 0 HG22 VAL A 858 -0.332 14.529 1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 858 0.221 16.214 2.046 1.00 0.00 H new ATOM 338 N ILE A 859 -4.111 16.092 -0.730 1.00 0.00 N ATOM 339 CA ILE A 859 -5.421 16.608 -1.063 1.00 0.00 C ATOM 340 C ILE A 859 -6.445 15.621 -0.562 1.00 0.00 C ATOM 341 O ILE A 859 -6.084 14.523 -0.138 1.00 0.00 O ATOM 342 CB ILE A 859 -5.634 16.828 -2.600 1.00 0.00 C ATOM 343 CG1 ILE A 859 -5.597 15.499 -3.374 1.00 0.00 C ATOM 344 CG2 ILE A 859 -4.592 17.795 -3.152 1.00 0.00 C ATOM 345 CD1 ILE A 859 -5.978 15.624 -4.838 1.00 0.00 C ATOM 0 H ILE A 859 -3.923 15.152 -1.080 1.00 0.00 H new ATOM 0 HA ILE A 859 -5.523 17.586 -0.593 1.00 0.00 H new ATOM 0 HB ILE A 859 -6.624 17.263 -2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 859 -4.594 15.079 -3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 859 -6.273 14.792 -2.893 1.00 0.00 H new ATOM 0 HG21 ILE A 859 -4.756 17.935 -4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 859 -4.680 18.754 -2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 859 -3.594 17.387 -2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 859 -5.927 14.644 -5.312 1.00 0.00 H new ATOM 0 HD12 ILE A 859 -6.993 16.013 -4.918 1.00 0.00 H new ATOM 0 HD13 ILE A 859 -5.288 16.305 -5.337 1.00 0.00 H new ATOM 357 N ARG A 860 -7.683 15.984 -0.578 1.00 0.00 N ATOM 358 CA ARG A 860 -8.716 15.067 -0.199 1.00 0.00 C ATOM 359 C ARG A 860 -9.524 14.670 -1.389 1.00 0.00 C ATOM 360 O ARG A 860 -9.643 15.434 -2.359 1.00 0.00 O ATOM 361 CB ARG A 860 -9.603 15.635 0.890 1.00 0.00 C ATOM 362 CG ARG A 860 -8.903 15.771 2.212 1.00 0.00 C ATOM 363 CD ARG A 860 -9.817 16.345 3.264 1.00 0.00 C ATOM 364 NE ARG A 860 -9.133 16.535 4.543 1.00 0.00 N ATOM 365 CZ ARG A 860 -9.642 17.181 5.593 1.00 0.00 C ATOM 366 NH1 ARG A 860 -10.899 17.616 5.571 1.00 0.00 N ATOM 367 NH2 ARG A 860 -8.893 17.376 6.667 1.00 0.00 N ATOM 0 H ARG A 860 -8.010 16.911 -0.850 1.00 0.00 H new ATOM 0 HA ARG A 860 -8.234 14.178 0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 860 -9.970 16.613 0.578 1.00 0.00 H new ATOM 0 HB3 ARG A 860 -10.475 14.992 1.012 1.00 0.00 H new ATOM 0 HG2 ARG A 860 -8.542 14.795 2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 860 -8.029 16.413 2.098 1.00 0.00 H new ATOM 0 HD2 ARG A 860 -10.211 17.301 2.919 1.00 0.00 H new ATOM 0 HD3 ARG A 860 -10.670 15.681 3.405 1.00 0.00 H new ATOM 0 HE ARG A 860 -8.196 16.144 4.639 1.00 0.00 H new ATOM 0 HH11 ARG A 860 -11.480 17.456 4.748 1.00 0.00 H new ATOM 0 HH12 ARG A 860 -11.282 18.109 6.377 1.00 0.00 H new ATOM 0 HH21 ARG A 860 -7.933 17.033 6.688 1.00 0.00 H new ATOM 0 HH22 ARG A 860 -9.276 17.869 7.473 1.00 0.00 H new ATOM 381 N ASP A 861 -10.036 13.479 -1.353 1.00 0.00 N ATOM 382 CA ASP A 861 -10.882 12.995 -2.414 1.00 0.00 C ATOM 383 C ASP A 861 -12.330 13.366 -2.082 1.00 0.00 C ATOM 384 O ASP A 861 -12.582 14.115 -1.121 1.00 0.00 O ATOM 385 CB ASP A 861 -10.733 11.469 -2.585 1.00 0.00 C ATOM 386 CG ASP A 861 -11.544 10.671 -1.600 1.00 0.00 C ATOM 387 OD1 ASP A 861 -11.254 10.687 -0.417 1.00 0.00 O ATOM 388 OD2 ASP A 861 -12.521 10.063 -2.013 1.00 0.00 O ATOM 0 H ASP A 861 -9.884 12.814 -0.595 1.00 0.00 H new ATOM 0 HA ASP A 861 -10.589 13.455 -3.358 1.00 0.00 H new ATOM 0 HB2 ASP A 861 -11.032 11.194 -3.596 1.00 0.00 H new ATOM 0 HB3 ASP A 861 -9.682 11.201 -2.479 1.00 0.00 H new ATOM 393 N GLU A 862 -13.264 12.834 -2.836 1.00 0.00 N ATOM 394 CA GLU A 862 -14.669 13.130 -2.661 1.00 0.00 C ATOM 395 C GLU A 862 -15.182 12.624 -1.303 1.00 0.00 C ATOM 396 O GLU A 862 -16.104 13.195 -0.738 1.00 0.00 O ATOM 397 CB GLU A 862 -15.472 12.509 -3.797 1.00 0.00 C ATOM 398 CG GLU A 862 -15.455 10.993 -3.792 1.00 0.00 C ATOM 399 CD GLU A 862 -16.118 10.401 -4.979 1.00 0.00 C ATOM 400 OE1 GLU A 862 -17.368 10.383 -5.037 1.00 0.00 O ATOM 401 OE2 GLU A 862 -15.399 9.922 -5.877 1.00 0.00 O ATOM 0 H GLU A 862 -13.070 12.179 -3.593 1.00 0.00 H new ATOM 0 HA GLU A 862 -14.796 14.212 -2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 862 -16.504 12.853 -3.732 1.00 0.00 H new ATOM 0 HB3 GLU A 862 -15.077 12.866 -4.748 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -14.422 10.647 -3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -15.949 10.633 -2.890 1.00 0.00 H new ATOM 408 N TRP A 863 -14.587 11.548 -0.800 1.00 0.00 N ATOM 409 CA TRP A 863 -14.967 10.997 0.478 1.00 0.00 C ATOM 410 C TRP A 863 -14.302 11.767 1.599 1.00 0.00 C ATOM 411 O TRP A 863 -14.899 11.986 2.663 1.00 0.00 O ATOM 412 CB TRP A 863 -14.597 9.515 0.570 1.00 0.00 C ATOM 413 CG TRP A 863 -15.149 8.658 -0.537 1.00 0.00 C ATOM 414 CD1 TRP A 863 -14.455 7.783 -1.315 1.00 0.00 C ATOM 415 CD2 TRP A 863 -16.493 8.616 -1.000 1.00 0.00 C ATOM 416 NE1 TRP A 863 -15.300 7.171 -2.207 1.00 0.00 N ATOM 417 CE2 TRP A 863 -16.555 7.671 -2.039 1.00 0.00 C ATOM 418 CE3 TRP A 863 -17.646 9.277 -0.628 1.00 0.00 C ATOM 419 CZ2 TRP A 863 -17.737 7.376 -2.705 1.00 0.00 C ATOM 420 CZ3 TRP A 863 -18.820 8.992 -1.286 1.00 0.00 C ATOM 421 CH2 TRP A 863 -18.859 8.045 -2.313 1.00 0.00 C ATOM 0 H TRP A 863 -13.835 11.043 -1.269 1.00 0.00 H new ATOM 0 HA TRP A 863 -16.049 11.086 0.576 1.00 0.00 H new ATOM 0 HB2 TRP A 863 -13.511 9.425 0.573 1.00 0.00 H new ATOM 0 HB3 TRP A 863 -14.951 9.125 1.524 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -13.394 7.597 -1.241 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -15.031 6.458 -2.885 1.00 0.00 H new ATOM 0 HE3 TRP A 863 -17.627 10.007 0.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -17.767 6.647 -3.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 -19.726 9.508 -1.004 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -19.797 7.839 -2.807 1.00 0.00 H new ATOM 432 N GLY A 864 -13.081 12.187 1.358 1.00 0.00 N ATOM 433 CA GLY A 864 -12.366 12.945 2.339 1.00 0.00 C ATOM 434 C GLY A 864 -11.147 12.233 2.847 1.00 0.00 C ATOM 435 O GLY A 864 -10.711 12.470 3.979 1.00 0.00 O ATOM 0 H GLY A 864 -12.570 12.014 0.492 1.00 0.00 H new ATOM 0 HA2 GLY A 864 -12.070 13.901 1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 864 -13.029 13.164 3.176 1.00 0.00 H new ATOM 439 N ASN A 865 -10.614 11.352 2.044 1.00 0.00 N ATOM 440 CA ASN A 865 -9.409 10.626 2.381 1.00 0.00 C ATOM 441 C ASN A 865 -8.251 11.438 1.892 1.00 0.00 C ATOM 442 O ASN A 865 -8.426 12.314 1.033 1.00 0.00 O ATOM 443 CB ASN A 865 -9.349 9.249 1.693 1.00 0.00 C ATOM 444 CG ASN A 865 -10.533 8.347 1.973 1.00 0.00 C ATOM 445 OD1 ASN A 865 -10.543 7.578 2.943 1.00 0.00 O ATOM 446 ND2 ASN A 865 -11.532 8.420 1.138 1.00 0.00 N ATOM 0 H ASN A 865 -11.002 11.113 1.131 1.00 0.00 H new ATOM 0 HA ASN A 865 -9.387 10.465 3.459 1.00 0.00 H new ATOM 0 HB2 ASN A 865 -9.272 9.400 0.616 1.00 0.00 H new ATOM 0 HB3 ASN A 865 -8.439 8.739 2.010 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -12.354 7.832 1.274 1.00 0.00 H new ATOM 0 HD22 ASN A 865 -11.491 9.065 0.349 1.00 0.00 H new ATOM 453 N GLN A 866 -7.096 11.160 2.389 1.00 0.00 N ATOM 454 CA GLN A 866 -5.926 11.879 2.006 1.00 0.00 C ATOM 455 C GLN A 866 -5.250 11.238 0.826 1.00 0.00 C ATOM 456 O GLN A 866 -4.853 10.065 0.866 1.00 0.00 O ATOM 457 CB GLN A 866 -4.981 12.027 3.180 1.00 0.00 C ATOM 458 CG GLN A 866 -5.503 12.978 4.234 1.00 0.00 C ATOM 459 CD GLN A 866 -4.630 13.064 5.464 1.00 0.00 C ATOM 460 OE1 GLN A 866 -5.118 13.333 6.558 1.00 0.00 O ATOM 461 NE2 GLN A 866 -3.360 12.843 5.310 1.00 0.00 N ATOM 0 H GLN A 866 -6.933 10.424 3.076 1.00 0.00 H new ATOM 0 HA GLN A 866 -6.230 12.879 1.695 1.00 0.00 H new ATOM 0 HB2 GLN A 866 -4.812 11.049 3.631 1.00 0.00 H new ATOM 0 HB3 GLN A 866 -4.015 12.383 2.821 1.00 0.00 H new ATOM 0 HG2 GLN A 866 -5.599 13.972 3.798 1.00 0.00 H new ATOM 0 HG3 GLN A 866 -6.503 12.663 4.531 1.00 0.00 H new ATOM 0 HE21 GLN A 866 -2.989 12.622 4.386 1.00 0.00 H new ATOM 0 HE22 GLN A 866 -2.733 12.890 6.113 1.00 0.00 H new ATOM 470 N ILE A 867 -5.160 11.990 -0.226 1.00 0.00 N ATOM 471 CA ILE A 867 -4.534 11.562 -1.432 1.00 0.00 C ATOM 472 C ILE A 867 -3.261 12.360 -1.599 1.00 0.00 C ATOM 473 O ILE A 867 -3.298 13.588 -1.657 1.00 0.00 O ATOM 474 CB ILE A 867 -5.448 11.811 -2.666 1.00 0.00 C ATOM 475 CG1 ILE A 867 -6.838 11.162 -2.482 1.00 0.00 C ATOM 476 CG2 ILE A 867 -4.781 11.313 -3.943 1.00 0.00 C ATOM 477 CD1 ILE A 867 -6.812 9.659 -2.273 1.00 0.00 C ATOM 0 H ILE A 867 -5.529 12.940 -0.268 1.00 0.00 H new ATOM 0 HA ILE A 867 -4.334 10.492 -1.370 1.00 0.00 H new ATOM 0 HB ILE A 867 -5.597 12.887 -2.754 1.00 0.00 H new ATOM 0 HG12 ILE A 867 -7.330 11.626 -1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 867 -7.446 11.383 -3.359 1.00 0.00 H new ATOM 0 HG21 ILE A 867 -5.438 11.498 -4.793 1.00 0.00 H new ATOM 0 HG22 ILE A 867 -3.839 11.841 -4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 867 -4.588 10.244 -3.859 1.00 0.00 H new ATOM 0 HD11 ILE A 867 -7.831 9.291 -2.153 1.00 0.00 H new ATOM 0 HD12 ILE A 867 -6.352 9.179 -3.137 1.00 0.00 H new ATOM 0 HD13 ILE A 867 -6.234 9.426 -1.378 1.00 0.00 H new ATOM 489 N TRP A 868 -2.157 11.685 -1.635 1.00 0.00 N ATOM 490 CA TRP A 868 -0.883 12.331 -1.812 1.00 0.00 C ATOM 491 C TRP A 868 -0.586 12.529 -3.280 1.00 0.00 C ATOM 492 O TRP A 868 -0.879 11.670 -4.102 1.00 0.00 O ATOM 493 CB TRP A 868 0.242 11.538 -1.142 1.00 0.00 C ATOM 494 CG TRP A 868 0.341 11.721 0.350 1.00 0.00 C ATOM 495 CD1 TRP A 868 1.241 12.506 0.997 1.00 0.00 C ATOM 496 CD2 TRP A 868 -0.477 11.126 1.380 1.00 0.00 C ATOM 497 NE1 TRP A 868 1.060 12.421 2.355 1.00 0.00 N ATOM 498 CE2 TRP A 868 0.014 11.592 2.617 1.00 0.00 C ATOM 499 CE3 TRP A 868 -1.564 10.249 1.382 1.00 0.00 C ATOM 500 CZ2 TRP A 868 -0.542 11.211 3.833 1.00 0.00 C ATOM 501 CZ3 TRP A 868 -2.114 9.874 2.596 1.00 0.00 C ATOM 502 CH2 TRP A 868 -1.603 10.355 3.801 1.00 0.00 C ATOM 0 H TRP A 868 -2.106 10.670 -1.543 1.00 0.00 H new ATOM 0 HA TRP A 868 -0.937 13.308 -1.332 1.00 0.00 H new ATOM 0 HB2 TRP A 868 0.098 10.479 -1.355 1.00 0.00 H new ATOM 0 HB3 TRP A 868 1.191 11.828 -1.593 1.00 0.00 H new ATOM 0 HD1 TRP A 868 1.992 13.111 0.512 1.00 0.00 H new ATOM 0 HE1 TRP A 868 1.621 12.903 3.057 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -1.968 9.871 0.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 -0.148 11.579 4.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -2.955 9.196 2.610 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -2.058 10.043 4.730 1.00 0.00 H new ATOM 513 N ILE A 869 -0.084 13.674 -3.595 1.00 0.00 N ATOM 514 CA ILE A 869 0.331 14.010 -4.930 1.00 0.00 C ATOM 515 C ILE A 869 1.832 13.787 -5.016 1.00 0.00 C ATOM 516 O ILE A 869 2.575 14.272 -4.163 1.00 0.00 O ATOM 517 CB ILE A 869 0.032 15.509 -5.259 1.00 0.00 C ATOM 518 CG1 ILE A 869 -1.452 15.861 -5.019 1.00 0.00 C ATOM 519 CG2 ILE A 869 0.439 15.855 -6.693 1.00 0.00 C ATOM 520 CD1 ILE A 869 -2.433 15.067 -5.847 1.00 0.00 C ATOM 0 H ILE A 869 0.056 14.426 -2.921 1.00 0.00 H new ATOM 0 HA ILE A 869 -0.214 13.389 -5.641 1.00 0.00 H new ATOM 0 HB ILE A 869 0.633 16.111 -4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 869 -1.681 15.708 -3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 869 -1.597 16.921 -5.226 1.00 0.00 H new ATOM 0 HG21 ILE A 869 0.218 16.904 -6.891 1.00 0.00 H new ATOM 0 HG22 ILE A 869 1.507 15.678 -6.821 1.00 0.00 H new ATOM 0 HG23 ILE A 869 -0.118 15.229 -7.390 1.00 0.00 H new ATOM 0 HD11 ILE A 869 -3.449 15.383 -5.610 1.00 0.00 H new ATOM 0 HD12 ILE A 869 -2.237 15.238 -6.906 1.00 0.00 H new ATOM 0 HD13 ILE A 869 -2.322 14.006 -5.624 1.00 0.00 H new ATOM 532 N CYS A 870 2.261 13.046 -6.008 1.00 0.00 N ATOM 533 CA CYS A 870 3.658 12.790 -6.216 1.00 0.00 C ATOM 534 C CYS A 870 4.260 13.960 -6.972 1.00 0.00 C ATOM 535 O CYS A 870 3.815 14.278 -8.078 1.00 0.00 O ATOM 536 CB CYS A 870 3.819 11.497 -7.036 1.00 0.00 C ATOM 537 SG CYS A 870 5.518 11.007 -7.514 1.00 0.00 S ATOM 0 H CYS A 870 1.647 12.604 -6.693 1.00 0.00 H new ATOM 0 HA CYS A 870 4.167 12.672 -5.260 1.00 0.00 H new ATOM 0 HB2 CYS A 870 3.381 10.679 -6.464 1.00 0.00 H new ATOM 0 HB3 CYS A 870 3.230 11.600 -7.947 1.00 0.00 H new ATOM 0 HG CYS A 870 5.463 10.132 -8.474 1.00 0.00 H new ATOM 542 N PRO A 871 5.258 14.641 -6.400 1.00 0.00 N ATOM 543 CA PRO A 871 5.962 15.719 -7.086 1.00 0.00 C ATOM 544 C PRO A 871 6.864 15.188 -8.224 1.00 0.00 C ATOM 545 O PRO A 871 7.548 15.971 -8.923 1.00 0.00 O ATOM 546 CB PRO A 871 6.812 16.369 -5.981 1.00 0.00 C ATOM 547 CG PRO A 871 6.280 15.821 -4.697 1.00 0.00 C ATOM 548 CD PRO A 871 5.746 14.462 -5.023 1.00 0.00 C ATOM 0 HA PRO A 871 5.273 16.415 -7.564 1.00 0.00 H new ATOM 0 HB2 PRO A 871 7.868 16.127 -6.104 1.00 0.00 H new ATOM 0 HB3 PRO A 871 6.729 17.455 -6.009 1.00 0.00 H new ATOM 0 HG2 PRO A 871 7.064 15.762 -3.942 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.497 16.462 -4.293 1.00 0.00 H new ATOM 0 HD2 PRO A 871 6.519 13.696 -4.961 1.00 0.00 H new ATOM 0 HD3 PRO A 871 4.947 14.165 -4.343 1.00 0.00 H new ATOM 556 N GLY A 872 6.870 13.875 -8.410 1.00 0.00 N ATOM 557 CA GLY A 872 7.647 13.274 -9.453 1.00 0.00 C ATOM 558 C GLY A 872 6.901 13.247 -10.769 1.00 0.00 C ATOM 559 O GLY A 872 7.475 13.557 -11.825 1.00 0.00 O ATOM 0 H GLY A 872 6.339 13.214 -7.843 1.00 0.00 H new ATOM 0 HA2 GLY A 872 8.579 13.826 -9.575 1.00 0.00 H new ATOM 0 HA3 GLY A 872 7.914 12.257 -9.166 1.00 0.00 H new ATOM 563 N CYS A 873 5.632 12.880 -10.727 1.00 0.00 N ATOM 564 CA CYS A 873 4.827 12.792 -11.929 1.00 0.00 C ATOM 565 C CYS A 873 3.810 13.930 -12.008 1.00 0.00 C ATOM 566 O CYS A 873 3.378 14.317 -13.113 1.00 0.00 O ATOM 567 CB CYS A 873 4.099 11.468 -11.904 1.00 0.00 C ATOM 568 SG CYS A 873 3.168 11.223 -10.376 1.00 0.00 S ATOM 0 H CYS A 873 5.137 12.638 -9.869 1.00 0.00 H new ATOM 0 HA CYS A 873 5.477 12.870 -12.801 1.00 0.00 H new ATOM 0 HB2 CYS A 873 3.418 11.415 -12.754 1.00 0.00 H new ATOM 0 HB3 CYS A 873 4.819 10.658 -12.021 1.00 0.00 H new ATOM 573 N ASN A 874 3.453 14.446 -10.817 1.00 0.00 N ATOM 574 CA ASN A 874 2.420 15.468 -10.595 1.00 0.00 C ATOM 575 C ASN A 874 1.035 14.786 -10.603 1.00 0.00 C ATOM 576 O ASN A 874 -0.011 15.428 -10.743 1.00 0.00 O ATOM 577 CB ASN A 874 2.516 16.650 -11.616 1.00 0.00 C ATOM 578 CG ASN A 874 1.556 17.817 -11.345 1.00 0.00 C ATOM 579 OD1 ASN A 874 1.068 18.452 -12.272 1.00 0.00 O ATOM 580 ND2 ASN A 874 1.331 18.150 -10.094 1.00 0.00 N ATOM 0 H ASN A 874 3.897 14.148 -9.948 1.00 0.00 H new ATOM 0 HA ASN A 874 2.580 15.928 -9.620 1.00 0.00 H new ATOM 0 HB2 ASN A 874 3.537 17.031 -11.614 1.00 0.00 H new ATOM 0 HB3 ASN A 874 2.322 16.264 -12.617 1.00 0.00 H new ATOM 0 HD21 ASN A 874 0.739 18.952 -9.878 1.00 0.00 H new ATOM 0 HD22 ASN A 874 1.748 17.606 -9.339 1.00 0.00 H new ATOM 587 N LYS A 875 1.025 13.471 -10.386 1.00 0.00 N ATOM 588 CA LYS A 875 -0.196 12.726 -10.358 1.00 0.00 C ATOM 589 C LYS A 875 -0.521 12.365 -8.926 1.00 0.00 C ATOM 590 O LYS A 875 0.389 12.240 -8.088 1.00 0.00 O ATOM 591 CB LYS A 875 -0.081 11.443 -11.198 1.00 0.00 C ATOM 592 CG LYS A 875 0.097 11.657 -12.697 1.00 0.00 C ATOM 593 CD LYS A 875 0.311 10.328 -13.432 1.00 0.00 C ATOM 594 CE LYS A 875 -0.847 9.350 -13.203 1.00 0.00 C ATOM 595 NZ LYS A 875 -0.677 8.066 -13.927 1.00 0.00 N ATOM 0 H LYS A 875 1.864 12.913 -10.228 1.00 0.00 H new ATOM 0 HA LYS A 875 -0.990 13.341 -10.782 1.00 0.00 H new ATOM 0 HB2 LYS A 875 0.763 10.861 -10.828 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -0.976 10.842 -11.038 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -0.782 12.160 -13.101 1.00 0.00 H new ATOM 0 HG3 LYS A 875 0.949 12.313 -12.873 1.00 0.00 H new ATOM 0 HD2 LYS A 875 0.419 10.518 -14.500 1.00 0.00 H new ATOM 0 HD3 LYS A 875 1.242 9.873 -13.094 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -0.939 9.149 -12.136 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -1.779 9.819 -13.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -1.490 7.448 -13.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -0.617 8.249 -14.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 0.196 7.600 -13.607 1.00 0.00 H new ATOM 609 N PRO A 876 -1.804 12.223 -8.602 1.00 0.00 N ATOM 610 CA PRO A 876 -2.213 11.788 -7.284 1.00 0.00 C ATOM 611 C PRO A 876 -1.900 10.316 -7.083 1.00 0.00 C ATOM 612 O PRO A 876 -1.538 9.600 -8.032 1.00 0.00 O ATOM 613 CB PRO A 876 -3.724 12.025 -7.272 1.00 0.00 C ATOM 614 CG PRO A 876 -4.127 11.961 -8.694 1.00 0.00 C ATOM 615 CD PRO A 876 -2.964 12.493 -9.481 1.00 0.00 C ATOM 0 HA PRO A 876 -1.696 12.320 -6.486 1.00 0.00 H new ATOM 0 HB2 PRO A 876 -4.239 11.268 -6.680 1.00 0.00 H new ATOM 0 HB3 PRO A 876 -3.969 12.993 -6.834 1.00 0.00 H new ATOM 0 HG2 PRO A 876 -4.360 10.937 -8.987 1.00 0.00 H new ATOM 0 HG3 PRO A 876 -5.023 12.556 -8.872 1.00 0.00 H new ATOM 0 HD2 PRO A 876 -2.865 11.989 -10.443 1.00 0.00 H new ATOM 0 HD3 PRO A 876 -3.072 13.558 -9.688 1.00 0.00 H new ATOM 623 N ASP A 877 -2.001 9.870 -5.880 1.00 0.00 N ATOM 624 CA ASP A 877 -1.731 8.501 -5.580 1.00 0.00 C ATOM 625 C ASP A 877 -2.904 7.613 -5.936 1.00 0.00 C ATOM 626 O ASP A 877 -4.059 7.957 -5.677 1.00 0.00 O ATOM 627 CB ASP A 877 -1.312 8.300 -4.129 1.00 0.00 C ATOM 628 CG ASP A 877 -1.066 6.844 -3.842 1.00 0.00 C ATOM 629 OD1 ASP A 877 -0.408 6.174 -4.675 1.00 0.00 O ATOM 630 OD2 ASP A 877 -1.610 6.332 -2.855 1.00 0.00 O ATOM 0 H ASP A 877 -2.272 10.438 -5.077 1.00 0.00 H new ATOM 0 HA ASP A 877 -0.886 8.206 -6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -0.408 8.874 -3.924 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -2.089 8.680 -3.465 1.00 0.00 H new ATOM 635 N ASP A 878 -2.594 6.480 -6.524 1.00 0.00 N ATOM 636 CA ASP A 878 -3.596 5.514 -6.968 1.00 0.00 C ATOM 637 C ASP A 878 -3.698 4.412 -5.927 1.00 0.00 C ATOM 638 O ASP A 878 -4.419 3.426 -6.105 1.00 0.00 O ATOM 639 CB ASP A 878 -3.181 4.845 -8.302 1.00 0.00 C ATOM 640 CG ASP A 878 -2.782 5.797 -9.406 1.00 0.00 C ATOM 641 OD1 ASP A 878 -3.657 6.349 -10.110 1.00 0.00 O ATOM 642 OD2 ASP A 878 -1.565 5.986 -9.620 1.00 0.00 O ATOM 0 H ASP A 878 -1.634 6.193 -6.713 1.00 0.00 H new ATOM 0 HA ASP A 878 -4.540 6.042 -7.104 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -2.347 4.171 -8.107 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -4.010 4.232 -8.655 1.00 0.00 H new ATOM 647 N GLY A 879 -2.950 4.568 -4.861 1.00 0.00 N ATOM 648 CA GLY A 879 -2.871 3.571 -3.829 1.00 0.00 C ATOM 649 C GLY A 879 -1.714 2.655 -4.110 1.00 0.00 C ATOM 650 O GLY A 879 -1.716 1.474 -3.722 1.00 0.00 O ATOM 0 H GLY A 879 -2.378 5.395 -4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -2.745 4.047 -2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -3.799 3.001 -3.787 1.00 0.00 H new ATOM 654 N SER A 880 -0.713 3.201 -4.741 1.00 0.00 N ATOM 655 CA SER A 880 0.389 2.431 -5.236 1.00 0.00 C ATOM 656 C SER A 880 1.639 2.654 -4.370 1.00 0.00 C ATOM 657 O SER A 880 1.645 3.543 -3.525 1.00 0.00 O ATOM 658 CB SER A 880 0.639 2.835 -6.685 1.00 0.00 C ATOM 659 OG SER A 880 -0.561 2.713 -7.455 1.00 0.00 O ATOM 0 H SER A 880 -0.640 4.201 -4.927 1.00 0.00 H new ATOM 0 HA SER A 880 0.155 1.367 -5.190 1.00 0.00 H new ATOM 0 HB2 SER A 880 1.000 3.863 -6.725 1.00 0.00 H new ATOM 0 HB3 SER A 880 1.419 2.206 -7.114 1.00 0.00 H new ATOM 0 HG SER A 880 -0.383 2.978 -8.382 1.00 0.00 H new ATOM 665 N PRO A 881 2.671 1.775 -4.502 1.00 0.00 N ATOM 666 CA PRO A 881 3.942 1.907 -3.773 1.00 0.00 C ATOM 667 C PRO A 881 4.547 3.308 -3.837 1.00 0.00 C ATOM 668 O PRO A 881 4.954 3.797 -4.914 1.00 0.00 O ATOM 669 CB PRO A 881 4.840 0.903 -4.473 1.00 0.00 C ATOM 670 CG PRO A 881 3.925 -0.157 -4.958 1.00 0.00 C ATOM 671 CD PRO A 881 2.644 0.538 -5.319 1.00 0.00 C ATOM 0 HA PRO A 881 3.810 1.729 -2.706 1.00 0.00 H new ATOM 0 HB2 PRO A 881 5.381 1.366 -5.299 1.00 0.00 H new ATOM 0 HB3 PRO A 881 5.587 0.498 -3.790 1.00 0.00 H new ATOM 0 HG2 PRO A 881 4.347 -0.672 -5.821 1.00 0.00 H new ATOM 0 HG3 PRO A 881 3.757 -0.910 -4.188 1.00 0.00 H new ATOM 0 HD2 PRO A 881 2.597 0.763 -6.384 1.00 0.00 H new ATOM 0 HD3 PRO A 881 1.775 -0.077 -5.085 1.00 0.00 H new ATOM 679 N MET A 882 4.551 3.969 -2.699 1.00 0.00 N ATOM 680 CA MET A 882 5.138 5.278 -2.583 1.00 0.00 C ATOM 681 C MET A 882 6.296 5.202 -1.620 1.00 0.00 C ATOM 682 O MET A 882 6.349 4.292 -0.769 1.00 0.00 O ATOM 683 CB MET A 882 4.137 6.315 -2.053 1.00 0.00 C ATOM 684 CG MET A 882 2.803 6.350 -2.765 1.00 0.00 C ATOM 685 SD MET A 882 1.798 7.764 -2.281 1.00 0.00 S ATOM 686 CE MET A 882 2.624 9.056 -3.191 1.00 0.00 C ATOM 0 H MET A 882 4.148 3.612 -1.833 1.00 0.00 H new ATOM 0 HA MET A 882 5.459 5.591 -3.577 1.00 0.00 H new ATOM 0 HB2 MET A 882 3.961 6.118 -0.996 1.00 0.00 H new ATOM 0 HB3 MET A 882 4.592 7.303 -2.121 1.00 0.00 H new ATOM 0 HG2 MET A 882 2.970 6.379 -3.842 1.00 0.00 H new ATOM 0 HG3 MET A 882 2.257 5.431 -2.552 1.00 0.00 H new ATOM 0 HE1 MET A 882 2.729 9.937 -2.558 1.00 0.00 H new ATOM 0 HE2 MET A 882 3.611 8.710 -3.499 1.00 0.00 H new ATOM 0 HE3 MET A 882 2.037 9.312 -4.073 1.00 0.00 H new ATOM 696 N ILE A 883 7.207 6.120 -1.743 1.00 0.00 N ATOM 697 CA ILE A 883 8.338 6.204 -0.866 1.00 0.00 C ATOM 698 C ILE A 883 8.355 7.598 -0.253 1.00 0.00 C ATOM 699 O ILE A 883 7.970 8.586 -0.912 1.00 0.00 O ATOM 700 CB ILE A 883 9.676 5.885 -1.607 1.00 0.00 C ATOM 701 CG1 ILE A 883 10.850 5.791 -0.625 1.00 0.00 C ATOM 702 CG2 ILE A 883 9.969 6.941 -2.675 1.00 0.00 C ATOM 703 CD1 ILE A 883 12.103 5.228 -1.249 1.00 0.00 C ATOM 0 H ILE A 883 7.186 6.841 -2.464 1.00 0.00 H new ATOM 0 HA ILE A 883 8.248 5.454 -0.080 1.00 0.00 H new ATOM 0 HB ILE A 883 9.559 4.916 -2.092 1.00 0.00 H new ATOM 0 HG12 ILE A 883 11.064 6.783 -0.228 1.00 0.00 H new ATOM 0 HG13 ILE A 883 10.560 5.166 0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 883 10.905 6.699 -3.178 1.00 0.00 H new ATOM 0 HG22 ILE A 883 9.158 6.956 -3.404 1.00 0.00 H new ATOM 0 HG23 ILE A 883 10.052 7.921 -2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 883 12.895 5.188 -0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 883 11.904 4.223 -1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 883 12.416 5.866 -2.076 1.00 0.00 H new ATOM 715 N GLY A 884 8.690 7.664 1.000 1.00 0.00 N ATOM 716 CA GLY A 884 8.728 8.913 1.682 1.00 0.00 C ATOM 717 C GLY A 884 10.116 9.449 1.759 1.00 0.00 C ATOM 718 O GLY A 884 11.059 8.695 2.052 1.00 0.00 O ATOM 0 H GLY A 884 8.942 6.857 1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 884 8.088 9.630 1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 884 8.327 8.792 2.688 1.00 0.00 H new ATOM 722 N CYS A 885 10.252 10.720 1.471 1.00 0.00 N ATOM 723 CA CYS A 885 11.511 11.393 1.553 1.00 0.00 C ATOM 724 C CYS A 885 11.849 11.593 3.015 1.00 0.00 C ATOM 725 O CYS A 885 10.967 11.947 3.829 1.00 0.00 O ATOM 726 CB CYS A 885 11.417 12.744 0.825 1.00 0.00 C ATOM 727 SG CYS A 885 12.955 13.774 0.815 1.00 0.00 S ATOM 0 H CYS A 885 9.481 11.316 1.171 1.00 0.00 H new ATOM 0 HA CYS A 885 12.295 10.803 1.078 1.00 0.00 H new ATOM 0 HB2 CYS A 885 11.123 12.557 -0.208 1.00 0.00 H new ATOM 0 HB3 CYS A 885 10.618 13.326 1.284 1.00 0.00 H new ATOM 732 N ASP A 886 13.087 11.366 3.352 1.00 0.00 N ATOM 733 CA ASP A 886 13.538 11.523 4.705 1.00 0.00 C ATOM 734 C ASP A 886 13.991 12.936 4.966 1.00 0.00 C ATOM 735 O ASP A 886 14.433 13.256 6.077 1.00 0.00 O ATOM 736 CB ASP A 886 14.656 10.539 5.042 1.00 0.00 C ATOM 737 CG ASP A 886 14.189 9.109 5.131 1.00 0.00 C ATOM 738 OD1 ASP A 886 13.452 8.753 6.071 1.00 0.00 O ATOM 739 OD2 ASP A 886 14.546 8.308 4.255 1.00 0.00 O ATOM 0 H ASP A 886 13.810 11.068 2.698 1.00 0.00 H new ATOM 0 HA ASP A 886 12.689 11.306 5.354 1.00 0.00 H new ATOM 0 HB2 ASP A 886 15.435 10.612 4.283 1.00 0.00 H new ATOM 0 HB3 ASP A 886 15.108 10.825 5.992 1.00 0.00 H new ATOM 744 N ASP A 887 13.922 13.788 3.955 1.00 0.00 N ATOM 745 CA ASP A 887 14.276 15.183 4.167 1.00 0.00 C ATOM 746 C ASP A 887 13.046 16.029 4.053 1.00 0.00 C ATOM 747 O ASP A 887 12.854 16.952 4.837 1.00 0.00 O ATOM 748 CB ASP A 887 15.335 15.685 3.208 1.00 0.00 C ATOM 749 CG ASP A 887 15.973 16.970 3.703 1.00 0.00 C ATOM 750 OD1 ASP A 887 16.940 16.898 4.477 1.00 0.00 O ATOM 751 OD2 ASP A 887 15.528 18.077 3.338 1.00 0.00 O ATOM 0 H ASP A 887 13.633 13.549 3.006 1.00 0.00 H new ATOM 0 HA ASP A 887 14.703 15.256 5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 887 16.103 14.922 3.081 1.00 0.00 H new ATOM 0 HB3 ASP A 887 14.889 15.854 2.228 1.00 0.00 H new ATOM 756 N CYS A 888 12.206 15.731 3.059 1.00 0.00 N ATOM 757 CA CYS A 888 10.920 16.422 2.956 1.00 0.00 C ATOM 758 C CYS A 888 9.988 15.989 4.091 1.00 0.00 C ATOM 759 O CYS A 888 10.019 16.561 5.193 1.00 0.00 O ATOM 760 CB CYS A 888 10.174 16.168 1.606 1.00 0.00 C ATOM 761 SG CYS A 888 10.928 16.781 0.092 1.00 0.00 S ATOM 0 H CYS A 888 12.385 15.037 2.334 1.00 0.00 H new ATOM 0 HA CYS A 888 11.160 17.484 3.016 1.00 0.00 H new ATOM 0 HB2 CYS A 888 10.037 15.092 1.498 1.00 0.00 H new ATOM 0 HB3 CYS A 888 9.181 16.609 1.686 1.00 0.00 H new ATOM 766 N ASP A 889 9.246 14.905 3.795 1.00 0.00 N ATOM 767 CA ASP A 889 8.127 14.333 4.586 1.00 0.00 C ATOM 768 C ASP A 889 7.091 13.873 3.560 1.00 0.00 C ATOM 769 O ASP A 889 6.127 13.159 3.866 1.00 0.00 O ATOM 770 CB ASP A 889 7.446 15.394 5.490 1.00 0.00 C ATOM 771 CG ASP A 889 6.351 14.844 6.367 1.00 0.00 C ATOM 772 OD1 ASP A 889 6.658 14.128 7.344 1.00 0.00 O ATOM 773 OD2 ASP A 889 5.177 15.160 6.136 1.00 0.00 O ATOM 0 H ASP A 889 9.418 14.368 2.945 1.00 0.00 H new ATOM 0 HA ASP A 889 8.503 13.537 5.229 1.00 0.00 H new ATOM 0 HB2 ASP A 889 8.204 15.858 6.121 1.00 0.00 H new ATOM 0 HB3 ASP A 889 7.031 16.180 4.860 1.00 0.00 H new ATOM 778 N ASP A 890 7.335 14.276 2.308 1.00 0.00 N ATOM 779 CA ASP A 890 6.412 14.066 1.224 1.00 0.00 C ATOM 780 C ASP A 890 6.607 12.722 0.614 1.00 0.00 C ATOM 781 O ASP A 890 7.641 12.062 0.831 1.00 0.00 O ATOM 782 CB ASP A 890 6.534 15.162 0.156 1.00 0.00 C ATOM 783 CG ASP A 890 6.157 16.527 0.680 1.00 0.00 C ATOM 784 OD1 ASP A 890 4.972 16.831 0.777 1.00 0.00 O ATOM 785 OD2 ASP A 890 7.052 17.323 1.035 1.00 0.00 O ATOM 0 H ASP A 890 8.190 14.759 2.032 1.00 0.00 H new ATOM 0 HA ASP A 890 5.406 14.117 1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 890 7.558 15.190 -0.216 1.00 0.00 H new ATOM 0 HB3 ASP A 890 5.894 14.912 -0.690 1.00 0.00 H new ATOM 790 N TRP A 891 5.649 12.333 -0.169 1.00 0.00 N ATOM 791 CA TRP A 891 5.604 11.024 -0.731 1.00 0.00 C ATOM 792 C TRP A 891 5.661 11.075 -2.240 1.00 0.00 C ATOM 793 O TRP A 891 4.931 11.833 -2.868 1.00 0.00 O ATOM 794 CB TRP A 891 4.329 10.305 -0.269 1.00 0.00 C ATOM 795 CG TRP A 891 4.328 9.956 1.185 1.00 0.00 C ATOM 796 CD1 TRP A 891 3.909 10.722 2.233 1.00 0.00 C ATOM 797 CD2 TRP A 891 4.778 8.741 1.733 1.00 0.00 C ATOM 798 NE1 TRP A 891 4.089 10.039 3.412 1.00 0.00 N ATOM 799 CE2 TRP A 891 4.629 8.815 3.126 1.00 0.00 C ATOM 800 CE3 TRP A 891 5.297 7.598 1.170 1.00 0.00 C ATOM 801 CZ2 TRP A 891 4.994 7.765 3.962 1.00 0.00 C ATOM 802 CZ3 TRP A 891 5.659 6.567 1.975 1.00 0.00 C ATOM 803 CH2 TRP A 891 5.510 6.647 3.368 1.00 0.00 C ATOM 0 H TRP A 891 4.865 12.927 -0.438 1.00 0.00 H new ATOM 0 HA TRP A 891 6.476 10.470 -0.383 1.00 0.00 H new ATOM 0 HB2 TRP A 891 3.468 10.939 -0.482 1.00 0.00 H new ATOM 0 HB3 TRP A 891 4.205 9.393 -0.852 1.00 0.00 H new ATOM 0 HD1 TRP A 891 3.497 11.717 2.149 1.00 0.00 H new ATOM 0 HE1 TRP A 891 3.859 10.386 4.343 1.00 0.00 H new ATOM 0 HE3 TRP A 891 5.415 7.522 0.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 4.875 7.830 5.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 6.069 5.669 1.536 1.00 0.00 H new ATOM 0 HH2 TRP A 891 5.808 5.810 3.982 1.00 0.00 H new ATOM 814 N TYR A 892 6.532 10.282 -2.804 1.00 0.00 N ATOM 815 CA TYR A 892 6.682 10.160 -4.240 1.00 0.00 C ATOM 816 C TYR A 892 6.386 8.730 -4.617 1.00 0.00 C ATOM 817 O TYR A 892 6.508 7.834 -3.776 1.00 0.00 O ATOM 818 CB TYR A 892 8.122 10.458 -4.655 1.00 0.00 C ATOM 819 CG TYR A 892 8.602 11.884 -4.495 1.00 0.00 C ATOM 820 CD1 TYR A 892 8.816 12.444 -3.244 1.00 0.00 C ATOM 821 CD2 TYR A 892 8.878 12.655 -5.613 1.00 0.00 C ATOM 822 CE1 TYR A 892 9.282 13.731 -3.114 1.00 0.00 C ATOM 823 CE2 TYR A 892 9.358 13.936 -5.494 1.00 0.00 C ATOM 824 CZ TYR A 892 9.556 14.472 -4.245 1.00 0.00 C ATOM 825 OH TYR A 892 10.062 15.734 -4.125 1.00 0.00 O ATOM 0 H TYR A 892 7.171 9.690 -2.274 1.00 0.00 H new ATOM 0 HA TYR A 892 6.008 10.861 -4.732 1.00 0.00 H new ATOM 0 HB2 TYR A 892 8.782 9.812 -4.076 1.00 0.00 H new ATOM 0 HB3 TYR A 892 8.238 10.177 -5.702 1.00 0.00 H new ATOM 0 HD1 TYR A 892 8.613 11.860 -2.358 1.00 0.00 H new ATOM 0 HD2 TYR A 892 8.712 12.240 -6.596 1.00 0.00 H new ATOM 0 HE1 TYR A 892 9.432 14.159 -2.134 1.00 0.00 H new ATOM 0 HE2 TYR A 892 9.578 14.518 -6.377 1.00 0.00 H new ATOM 0 HH TYR A 892 10.938 15.695 -3.688 1.00 0.00 H new ATOM 835 N HIS A 893 6.006 8.494 -5.841 1.00 0.00 N ATOM 836 CA HIS A 893 5.786 7.125 -6.291 1.00 0.00 C ATOM 837 C HIS A 893 7.102 6.500 -6.686 1.00 0.00 C ATOM 838 O HIS A 893 8.053 7.200 -7.053 1.00 0.00 O ATOM 839 CB HIS A 893 4.824 7.020 -7.477 1.00 0.00 C ATOM 840 CG HIS A 893 3.442 7.485 -7.219 1.00 0.00 C ATOM 841 ND1 HIS A 893 2.957 8.608 -7.826 1.00 0.00 N ATOM 842 CD2 HIS A 893 2.485 6.944 -6.444 1.00 0.00 C ATOM 843 CE1 HIS A 893 1.703 8.745 -7.407 1.00 0.00 C ATOM 844 NE2 HIS A 893 1.384 7.744 -6.562 1.00 0.00 N ATOM 0 H HIS A 893 5.841 9.212 -6.546 1.00 0.00 H new ATOM 0 HA HIS A 893 5.331 6.599 -5.452 1.00 0.00 H new ATOM 0 HB2 HIS A 893 5.234 7.596 -8.307 1.00 0.00 H new ATOM 0 HB3 HIS A 893 4.785 5.980 -7.800 1.00 0.00 H new ATOM 0 HD2 HIS A 893 2.571 6.050 -5.844 1.00 0.00 H new ATOM 0 HE1 HIS A 893 1.036 9.542 -7.701 1.00 0.00 H new ATOM 0 HE2 HIS A 893 0.486 7.609 -6.097 1.00 0.00 H new ATOM 852 N TRP A 894 7.146 5.196 -6.640 1.00 0.00 N ATOM 853 CA TRP A 894 8.334 4.439 -6.993 1.00 0.00 C ATOM 854 C TRP A 894 8.772 4.653 -8.446 1.00 0.00 C ATOM 855 O TRP A 894 9.902 5.084 -8.670 1.00 0.00 O ATOM 856 CB TRP A 894 8.169 2.952 -6.704 1.00 0.00 C ATOM 857 CG TRP A 894 8.174 2.583 -5.271 1.00 0.00 C ATOM 858 CD1 TRP A 894 8.199 3.417 -4.193 1.00 0.00 C ATOM 859 CD2 TRP A 894 8.169 1.261 -4.759 1.00 0.00 C ATOM 860 NE1 TRP A 894 8.196 2.683 -3.040 1.00 0.00 N ATOM 861 CE2 TRP A 894 8.173 1.353 -3.362 1.00 0.00 C ATOM 862 CE3 TRP A 894 8.149 0.001 -5.356 1.00 0.00 C ATOM 863 CZ2 TRP A 894 8.159 0.230 -2.551 1.00 0.00 C ATOM 864 CZ3 TRP A 894 8.136 -1.111 -4.553 1.00 0.00 C ATOM 865 CH2 TRP A 894 8.138 -0.992 -3.165 1.00 0.00 C ATOM 0 H TRP A 894 6.356 4.617 -6.355 1.00 0.00 H new ATOM 0 HA TRP A 894 9.127 4.829 -6.355 1.00 0.00 H new ATOM 0 HB2 TRP A 894 7.232 2.614 -7.146 1.00 0.00 H new ATOM 0 HB3 TRP A 894 8.971 2.410 -7.205 1.00 0.00 H new ATOM 0 HD1 TRP A 894 8.218 4.496 -4.243 1.00 0.00 H new ATOM 0 HE1 TRP A 894 8.209 3.064 -2.094 1.00 0.00 H new ATOM 0 HE3 TRP A 894 8.144 -0.098 -6.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 8.164 0.316 -1.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 8.124 -2.093 -5.003 1.00 0.00 H new ATOM 0 HH2 TRP A 894 8.123 -1.886 -2.559 1.00 0.00 H new ATOM 876 N PRO A 895 7.889 4.400 -9.473 1.00 0.00 N ATOM 877 CA PRO A 895 8.269 4.542 -10.889 1.00 0.00 C ATOM 878 C PRO A 895 8.672 5.972 -11.258 1.00 0.00 C ATOM 879 O PRO A 895 9.339 6.214 -12.267 1.00 0.00 O ATOM 880 CB PRO A 895 7.000 4.131 -11.656 1.00 0.00 C ATOM 881 CG PRO A 895 5.896 4.297 -10.679 1.00 0.00 C ATOM 882 CD PRO A 895 6.484 3.931 -9.356 1.00 0.00 C ATOM 0 HA PRO A 895 9.142 3.934 -11.125 1.00 0.00 H new ATOM 0 HB2 PRO A 895 6.848 4.758 -12.535 1.00 0.00 H new ATOM 0 HB3 PRO A 895 7.066 3.101 -12.007 1.00 0.00 H new ATOM 0 HG2 PRO A 895 5.525 5.322 -10.675 1.00 0.00 H new ATOM 0 HG3 PRO A 895 5.052 3.653 -10.926 1.00 0.00 H new ATOM 0 HD2 PRO A 895 5.962 4.420 -8.533 1.00 0.00 H new ATOM 0 HD3 PRO A 895 6.431 2.858 -9.174 1.00 0.00 H new ATOM 890 N CYS A 896 8.280 6.896 -10.444 1.00 0.00 N ATOM 891 CA CYS A 896 8.551 8.265 -10.659 1.00 0.00 C ATOM 892 C CYS A 896 9.973 8.617 -10.244 1.00 0.00 C ATOM 893 O CYS A 896 10.697 9.290 -10.981 1.00 0.00 O ATOM 894 CB CYS A 896 7.509 9.036 -9.897 1.00 0.00 C ATOM 895 SG CYS A 896 5.845 8.453 -10.306 1.00 0.00 S ATOM 0 H CYS A 896 7.750 6.708 -9.593 1.00 0.00 H new ATOM 0 HA CYS A 896 8.495 8.521 -11.717 1.00 0.00 H new ATOM 0 HB2 CYS A 896 7.683 8.929 -8.826 1.00 0.00 H new ATOM 0 HB3 CYS A 896 7.594 10.097 -10.130 1.00 0.00 H new ATOM 900 N VAL A 897 10.383 8.128 -9.108 1.00 0.00 N ATOM 901 CA VAL A 897 11.711 8.417 -8.611 1.00 0.00 C ATOM 902 C VAL A 897 12.733 7.363 -9.035 1.00 0.00 C ATOM 903 O VAL A 897 13.941 7.584 -8.932 1.00 0.00 O ATOM 904 CB VAL A 897 11.730 8.604 -7.086 1.00 0.00 C ATOM 905 CG1 VAL A 897 10.891 9.804 -6.707 1.00 0.00 C ATOM 906 CG2 VAL A 897 11.218 7.363 -6.375 1.00 0.00 C ATOM 0 H VAL A 897 9.822 7.527 -8.504 1.00 0.00 H new ATOM 0 HA VAL A 897 12.002 9.362 -9.069 1.00 0.00 H new ATOM 0 HB VAL A 897 12.761 8.770 -6.774 1.00 0.00 H new ATOM 0 HG11 VAL A 897 10.908 9.932 -5.625 1.00 0.00 H new ATOM 0 HG12 VAL A 897 11.296 10.696 -7.185 1.00 0.00 H new ATOM 0 HG13 VAL A 897 9.864 9.649 -7.038 1.00 0.00 H new ATOM 0 HG21 VAL A 897 11.243 7.525 -5.297 1.00 0.00 H new ATOM 0 HG22 VAL A 897 10.194 7.161 -6.688 1.00 0.00 H new ATOM 0 HG23 VAL A 897 11.850 6.512 -6.629 1.00 0.00 H new ATOM 916 N GLY A 898 12.256 6.228 -9.493 1.00 0.00 N ATOM 917 CA GLY A 898 13.143 5.189 -9.977 1.00 0.00 C ATOM 918 C GLY A 898 13.326 4.071 -8.978 1.00 0.00 C ATOM 919 O GLY A 898 14.238 3.258 -9.104 1.00 0.00 O ATOM 0 H GLY A 898 11.263 5.999 -9.542 1.00 0.00 H new ATOM 0 HA2 GLY A 898 12.745 4.780 -10.906 1.00 0.00 H new ATOM 0 HA3 GLY A 898 14.114 5.625 -10.211 1.00 0.00 H new ATOM 923 N ILE A 899 12.462 4.027 -7.993 1.00 0.00 N ATOM 924 CA ILE A 899 12.498 2.988 -6.989 1.00 0.00 C ATOM 925 C ILE A 899 11.754 1.766 -7.538 1.00 0.00 C ATOM 926 O ILE A 899 10.666 1.892 -8.098 1.00 0.00 O ATOM 927 CB ILE A 899 11.873 3.474 -5.637 1.00 0.00 C ATOM 928 CG1 ILE A 899 12.745 4.565 -4.979 1.00 0.00 C ATOM 929 CG2 ILE A 899 11.658 2.317 -4.659 1.00 0.00 C ATOM 930 CD1 ILE A 899 14.045 4.074 -4.399 1.00 0.00 C ATOM 0 H ILE A 899 11.714 4.709 -7.864 1.00 0.00 H new ATOM 0 HA ILE A 899 13.533 2.724 -6.773 1.00 0.00 H new ATOM 0 HB ILE A 899 10.899 3.900 -5.877 1.00 0.00 H new ATOM 0 HG12 ILE A 899 12.962 5.333 -5.722 1.00 0.00 H new ATOM 0 HG13 ILE A 899 12.168 5.042 -4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 899 11.223 2.698 -3.735 1.00 0.00 H new ATOM 0 HG22 ILE A 899 10.983 1.586 -5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 899 12.615 1.842 -4.441 1.00 0.00 H new ATOM 0 HD11 ILE A 899 14.587 4.912 -3.960 1.00 0.00 H new ATOM 0 HD12 ILE A 899 13.842 3.330 -3.629 1.00 0.00 H new ATOM 0 HD13 ILE A 899 14.649 3.625 -5.188 1.00 0.00 H new ATOM 942 N MET A 900 12.364 0.614 -7.446 1.00 0.00 N ATOM 943 CA MET A 900 11.758 -0.608 -7.955 1.00 0.00 C ATOM 944 C MET A 900 11.426 -1.550 -6.819 1.00 0.00 C ATOM 945 O MET A 900 10.505 -2.356 -6.910 1.00 0.00 O ATOM 946 CB MET A 900 12.681 -1.294 -8.964 1.00 0.00 C ATOM 947 CG MET A 900 13.014 -0.434 -10.173 1.00 0.00 C ATOM 948 SD MET A 900 14.087 -1.271 -11.354 1.00 0.00 S ATOM 949 CE MET A 900 14.321 0.034 -12.561 1.00 0.00 C ATOM 0 H MET A 900 13.284 0.486 -7.023 1.00 0.00 H new ATOM 0 HA MET A 900 10.833 -0.340 -8.465 1.00 0.00 H new ATOM 0 HB2 MET A 900 13.607 -1.575 -8.463 1.00 0.00 H new ATOM 0 HB3 MET A 900 12.211 -2.217 -9.304 1.00 0.00 H new ATOM 0 HG2 MET A 900 12.089 -0.144 -10.672 1.00 0.00 H new ATOM 0 HG3 MET A 900 13.497 0.484 -9.838 1.00 0.00 H new ATOM 0 HE1 MET A 900 14.966 -0.324 -13.363 1.00 0.00 H new ATOM 0 HE2 MET A 900 13.355 0.325 -12.974 1.00 0.00 H new ATOM 0 HE3 MET A 900 14.784 0.896 -12.080 1.00 0.00 H new ATOM 959 N ALA A 901 12.172 -1.443 -5.749 1.00 0.00 N ATOM 960 CA ALA A 901 11.958 -2.252 -4.587 1.00 0.00 C ATOM 961 C ALA A 901 12.126 -1.398 -3.366 1.00 0.00 C ATOM 962 O ALA A 901 12.928 -0.447 -3.373 1.00 0.00 O ATOM 963 CB ALA A 901 12.926 -3.419 -4.557 1.00 0.00 C ATOM 0 H ALA A 901 12.948 -0.787 -5.664 1.00 0.00 H new ATOM 0 HA ALA A 901 10.948 -2.662 -4.612 1.00 0.00 H new ATOM 0 HB1 ALA A 901 12.745 -4.019 -3.666 1.00 0.00 H new ATOM 0 HB2 ALA A 901 12.781 -4.035 -5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 901 13.949 -3.043 -4.539 1.00 0.00 H new ATOM 969 N ALA A 902 11.385 -1.708 -2.338 1.00 0.00 N ATOM 970 CA ALA A 902 11.411 -0.943 -1.118 1.00 0.00 C ATOM 971 C ALA A 902 12.748 -1.072 -0.404 1.00 0.00 C ATOM 972 O ALA A 902 13.277 -2.185 -0.254 1.00 0.00 O ATOM 973 CB ALA A 902 10.290 -1.380 -0.192 1.00 0.00 C ATOM 0 H ALA A 902 10.743 -2.501 -2.321 1.00 0.00 H new ATOM 0 HA ALA A 902 11.269 0.104 -1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 902 10.325 -0.791 0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 902 9.330 -1.227 -0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 902 10.409 -2.436 0.050 1.00 0.00 H new ATOM 979 N PRO A 903 13.358 0.050 -0.028 1.00 0.00 N ATOM 980 CA PRO A 903 14.515 0.036 0.825 1.00 0.00 C ATOM 981 C PRO A 903 14.040 -0.009 2.286 1.00 0.00 C ATOM 982 O PRO A 903 12.844 0.218 2.554 1.00 0.00 O ATOM 983 CB PRO A 903 15.221 1.378 0.518 1.00 0.00 C ATOM 984 CG PRO A 903 14.277 2.177 -0.329 1.00 0.00 C ATOM 985 CD PRO A 903 12.981 1.417 -0.412 1.00 0.00 C ATOM 0 HA PRO A 903 15.176 -0.816 0.665 1.00 0.00 H new ATOM 0 HB2 PRO A 903 15.459 1.910 1.439 1.00 0.00 H new ATOM 0 HB3 PRO A 903 16.162 1.209 -0.005 1.00 0.00 H new ATOM 0 HG2 PRO A 903 14.115 3.163 0.106 1.00 0.00 H new ATOM 0 HG3 PRO A 903 14.694 2.332 -1.324 1.00 0.00 H new ATOM 0 HD2 PRO A 903 12.230 1.830 0.261 1.00 0.00 H new ATOM 0 HD3 PRO A 903 12.560 1.450 -1.417 1.00 0.00 H new ATOM 993 N PRO A 904 14.915 -0.316 3.242 1.00 0.00 N ATOM 994 CA PRO A 904 14.536 -0.336 4.640 1.00 0.00 C ATOM 995 C PRO A 904 14.181 1.071 5.099 1.00 0.00 C ATOM 996 O PRO A 904 14.821 2.046 4.680 1.00 0.00 O ATOM 997 CB PRO A 904 15.789 -0.844 5.366 1.00 0.00 C ATOM 998 CG PRO A 904 16.909 -0.616 4.420 1.00 0.00 C ATOM 999 CD PRO A 904 16.323 -0.658 3.041 1.00 0.00 C ATOM 0 HA PRO A 904 13.665 -0.962 4.836 1.00 0.00 H new ATOM 0 HB2 PRO A 904 15.948 -0.306 6.300 1.00 0.00 H new ATOM 0 HB3 PRO A 904 15.696 -1.900 5.618 1.00 0.00 H new ATOM 0 HG2 PRO A 904 17.385 0.346 4.609 1.00 0.00 H new ATOM 0 HG3 PRO A 904 17.677 -1.381 4.538 1.00 0.00 H new ATOM 0 HD2 PRO A 904 16.815 0.053 2.377 1.00 0.00 H new ATOM 0 HD3 PRO A 904 16.433 -1.644 2.591 1.00 0.00 H new ATOM 1007 N GLU A 905 13.174 1.188 5.938 1.00 0.00 N ATOM 1008 CA GLU A 905 12.734 2.490 6.400 1.00 0.00 C ATOM 1009 C GLU A 905 13.798 3.241 7.200 1.00 0.00 C ATOM 1010 O GLU A 905 13.848 4.470 7.166 1.00 0.00 O ATOM 1011 CB GLU A 905 11.355 2.449 7.092 1.00 0.00 C ATOM 1012 CG GLU A 905 11.091 1.264 8.017 1.00 0.00 C ATOM 1013 CD GLU A 905 12.136 1.062 9.075 1.00 0.00 C ATOM 1014 OE1 GLU A 905 12.135 1.774 10.088 1.00 0.00 O ATOM 1015 OE2 GLU A 905 12.992 0.178 8.891 1.00 0.00 O ATOM 0 H GLU A 905 12.645 0.401 6.314 1.00 0.00 H new ATOM 0 HA GLU A 905 12.588 3.087 5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 905 11.236 3.366 7.670 1.00 0.00 H new ATOM 0 HB3 GLU A 905 10.586 2.457 6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 905 10.124 1.403 8.500 1.00 0.00 H new ATOM 0 HG3 GLU A 905 11.019 0.358 7.416 1.00 0.00 H new ATOM 1022 N GLU A 906 14.667 2.489 7.862 1.00 0.00 N ATOM 1023 CA GLU A 906 15.767 3.043 8.646 1.00 0.00 C ATOM 1024 C GLU A 906 16.889 3.592 7.755 1.00 0.00 C ATOM 1025 O GLU A 906 17.780 4.297 8.225 1.00 0.00 O ATOM 1026 CB GLU A 906 16.310 2.000 9.622 1.00 0.00 C ATOM 1027 CG GLU A 906 16.790 0.721 8.968 1.00 0.00 C ATOM 1028 CD GLU A 906 17.262 -0.284 9.974 1.00 0.00 C ATOM 1029 OE1 GLU A 906 18.457 -0.279 10.327 1.00 0.00 O ATOM 1030 OE2 GLU A 906 16.451 -1.099 10.434 1.00 0.00 O ATOM 0 H GLU A 906 14.630 1.470 7.871 1.00 0.00 H new ATOM 0 HA GLU A 906 15.370 3.882 9.217 1.00 0.00 H new ATOM 0 HB2 GLU A 906 17.136 2.439 10.182 1.00 0.00 H new ATOM 0 HB3 GLU A 906 15.530 1.755 10.343 1.00 0.00 H new ATOM 0 HG2 GLU A 906 15.981 0.290 8.378 1.00 0.00 H new ATOM 0 HG3 GLU A 906 17.601 0.950 8.277 1.00 0.00 H new ATOM 1037 N MET A 907 16.866 3.245 6.484 1.00 0.00 N ATOM 1038 CA MET A 907 17.803 3.816 5.540 1.00 0.00 C ATOM 1039 C MET A 907 17.173 5.048 4.995 1.00 0.00 C ATOM 1040 O MET A 907 15.969 5.059 4.719 1.00 0.00 O ATOM 1041 CB MET A 907 18.158 2.847 4.400 1.00 0.00 C ATOM 1042 CG MET A 907 18.996 3.474 3.268 1.00 0.00 C ATOM 1043 SD MET A 907 20.550 4.216 3.834 1.00 0.00 S ATOM 1044 CE MET A 907 21.456 2.767 4.370 1.00 0.00 C ATOM 0 H MET A 907 16.211 2.573 6.083 1.00 0.00 H new ATOM 0 HA MET A 907 18.742 4.035 6.049 1.00 0.00 H new ATOM 0 HB2 MET A 907 18.706 2.002 4.816 1.00 0.00 H new ATOM 0 HB3 MET A 907 17.235 2.451 3.976 1.00 0.00 H new ATOM 0 HG2 MET A 907 19.219 2.707 2.526 1.00 0.00 H new ATOM 0 HG3 MET A 907 18.400 4.238 2.768 1.00 0.00 H new ATOM 0 HE1 MET A 907 22.481 3.047 4.611 1.00 0.00 H new ATOM 0 HE2 MET A 907 20.978 2.346 5.254 1.00 0.00 H new ATOM 0 HE3 MET A 907 21.461 2.025 3.572 1.00 0.00 H new ATOM 1054 N GLN A 908 17.936 6.074 4.854 1.00 0.00 N ATOM 1055 CA GLN A 908 17.384 7.301 4.410 1.00 0.00 C ATOM 1056 C GLN A 908 17.482 7.446 2.921 1.00 0.00 C ATOM 1057 O GLN A 908 18.453 7.006 2.282 1.00 0.00 O ATOM 1058 CB GLN A 908 17.971 8.499 5.123 1.00 0.00 C ATOM 1059 CG GLN A 908 17.831 8.436 6.638 1.00 0.00 C ATOM 1060 CD GLN A 908 18.147 9.748 7.322 1.00 0.00 C ATOM 1061 OE1 GLN A 908 18.652 9.769 8.441 1.00 0.00 O ATOM 1062 NE2 GLN A 908 17.810 10.842 6.691 1.00 0.00 N ATOM 0 H GLN A 908 18.939 6.087 5.039 1.00 0.00 H new ATOM 0 HA GLN A 908 16.326 7.273 4.672 1.00 0.00 H new ATOM 0 HB2 GLN A 908 19.027 8.582 4.867 1.00 0.00 H new ATOM 0 HB3 GLN A 908 17.483 9.403 4.759 1.00 0.00 H new ATOM 0 HG2 GLN A 908 16.813 8.138 6.890 1.00 0.00 H new ATOM 0 HG3 GLN A 908 18.494 7.663 7.026 1.00 0.00 H new ATOM 0 HE21 GLN A 908 17.393 10.787 5.762 1.00 0.00 H new ATOM 0 HE22 GLN A 908 17.965 11.751 7.128 1.00 0.00 H new ATOM 1071 N TRP A 909 16.491 8.044 2.392 1.00 0.00 N ATOM 1072 CA TRP A 909 16.338 8.272 0.993 1.00 0.00 C ATOM 1073 C TRP A 909 15.790 9.650 0.831 1.00 0.00 C ATOM 1074 O TRP A 909 14.996 10.115 1.662 1.00 0.00 O ATOM 1075 CB TRP A 909 15.385 7.229 0.376 1.00 0.00 C ATOM 1076 CG TRP A 909 15.042 7.453 -1.074 1.00 0.00 C ATOM 1077 CD1 TRP A 909 15.675 6.943 -2.169 1.00 0.00 C ATOM 1078 CD2 TRP A 909 13.961 8.253 -1.572 1.00 0.00 C ATOM 1079 NE1 TRP A 909 15.051 7.383 -3.318 1.00 0.00 N ATOM 1080 CE2 TRP A 909 13.999 8.190 -2.969 1.00 0.00 C ATOM 1081 CE3 TRP A 909 12.970 9.019 -0.954 1.00 0.00 C ATOM 1082 CZ2 TRP A 909 13.081 8.864 -3.759 1.00 0.00 C ATOM 1083 CZ3 TRP A 909 12.064 9.687 -1.736 1.00 0.00 C ATOM 1084 CH2 TRP A 909 12.122 9.608 -3.125 1.00 0.00 C ATOM 0 H TRP A 909 15.716 8.412 2.943 1.00 0.00 H new ATOM 0 HA TRP A 909 17.294 8.177 0.479 1.00 0.00 H new ATOM 0 HB2 TRP A 909 15.837 6.242 0.478 1.00 0.00 H new ATOM 0 HB3 TRP A 909 14.461 7.218 0.954 1.00 0.00 H new ATOM 0 HD1 TRP A 909 16.536 6.292 -2.141 1.00 0.00 H new ATOM 0 HE1 TRP A 909 15.327 7.147 -4.271 1.00 0.00 H new ATOM 0 HE3 TRP A 909 12.918 9.084 0.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 13.121 8.804 -4.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 11.294 10.283 -1.268 1.00 0.00 H new ATOM 0 HH2 TRP A 909 11.395 10.145 -3.715 1.00 0.00 H new ATOM 1095 N PHE A 910 16.203 10.305 -0.196 1.00 0.00 N ATOM 1096 CA PHE A 910 15.792 11.638 -0.449 1.00 0.00 C ATOM 1097 C PHE A 910 15.394 11.716 -1.900 1.00 0.00 C ATOM 1098 O PHE A 910 15.993 11.031 -2.748 1.00 0.00 O ATOM 1099 CB PHE A 910 16.938 12.612 -0.127 1.00 0.00 C ATOM 1100 CG PHE A 910 17.526 12.407 1.238 1.00 0.00 C ATOM 1101 CD1 PHE A 910 16.799 12.712 2.364 1.00 0.00 C ATOM 1102 CD2 PHE A 910 18.788 11.858 1.390 1.00 0.00 C ATOM 1103 CE1 PHE A 910 17.312 12.487 3.618 1.00 0.00 C ATOM 1104 CE2 PHE A 910 19.303 11.621 2.643 1.00 0.00 C ATOM 1105 CZ PHE A 910 18.561 11.940 3.758 1.00 0.00 C ATOM 0 H PHE A 910 16.844 9.924 -0.892 1.00 0.00 H new ATOM 0 HA PHE A 910 14.948 11.918 0.181 1.00 0.00 H new ATOM 0 HB2 PHE A 910 17.723 12.498 -0.874 1.00 0.00 H new ATOM 0 HB3 PHE A 910 16.569 13.635 -0.206 1.00 0.00 H new ATOM 0 HD1 PHE A 910 15.810 13.135 2.261 1.00 0.00 H new ATOM 0 HD2 PHE A 910 19.374 11.614 0.516 1.00 0.00 H new ATOM 0 HE1 PHE A 910 16.732 12.741 4.493 1.00 0.00 H new ATOM 0 HE2 PHE A 910 20.286 11.186 2.752 1.00 0.00 H new ATOM 0 HZ PHE A 910 18.963 11.759 4.744 1.00 0.00 H new ATOM 1115 N CYS A 911 14.383 12.491 -2.177 1.00 0.00 N ATOM 1116 CA CYS A 911 13.844 12.638 -3.513 1.00 0.00 C ATOM 1117 C CYS A 911 14.858 13.277 -4.480 1.00 0.00 C ATOM 1118 O CYS A 911 15.886 13.771 -4.047 1.00 0.00 O ATOM 1119 CB CYS A 911 12.603 13.503 -3.392 1.00 0.00 C ATOM 1120 SG CYS A 911 12.883 15.156 -2.677 1.00 0.00 S ATOM 0 H CYS A 911 13.898 13.050 -1.475 1.00 0.00 H new ATOM 0 HA CYS A 911 13.608 11.658 -3.928 1.00 0.00 H new ATOM 0 HB2 CYS A 911 12.163 13.622 -4.382 1.00 0.00 H new ATOM 0 HB3 CYS A 911 11.871 12.978 -2.779 1.00 0.00 H new ATOM 1125 N PRO A 912 14.578 13.293 -5.813 1.00 0.00 N ATOM 1126 CA PRO A 912 15.436 13.980 -6.805 1.00 0.00 C ATOM 1127 C PRO A 912 15.594 15.505 -6.539 1.00 0.00 C ATOM 1128 O PRO A 912 16.277 16.207 -7.281 1.00 0.00 O ATOM 1129 CB PRO A 912 14.720 13.735 -8.143 1.00 0.00 C ATOM 1130 CG PRO A 912 13.334 13.335 -7.766 1.00 0.00 C ATOM 1131 CD PRO A 912 13.473 12.582 -6.483 1.00 0.00 C ATOM 0 HA PRO A 912 16.455 13.595 -6.773 1.00 0.00 H new ATOM 0 HB2 PRO A 912 14.718 14.633 -8.761 1.00 0.00 H new ATOM 0 HB3 PRO A 912 15.215 12.953 -8.719 1.00 0.00 H new ATOM 0 HG2 PRO A 912 12.693 14.208 -7.642 1.00 0.00 H new ATOM 0 HG3 PRO A 912 12.880 12.714 -8.539 1.00 0.00 H new ATOM 0 HD2 PRO A 912 12.556 12.611 -5.894 1.00 0.00 H new ATOM 0 HD3 PRO A 912 13.710 11.532 -6.653 1.00 0.00 H new ATOM 1139 N LYS A 913 14.915 15.999 -5.515 1.00 0.00 N ATOM 1140 CA LYS A 913 15.076 17.356 -5.049 1.00 0.00 C ATOM 1141 C LYS A 913 16.045 17.361 -3.857 1.00 0.00 C ATOM 1142 O LYS A 913 17.078 18.033 -3.866 1.00 0.00 O ATOM 1143 CB LYS A 913 13.722 17.937 -4.627 1.00 0.00 C ATOM 1144 CG LYS A 913 12.734 18.145 -5.769 1.00 0.00 C ATOM 1145 CD LYS A 913 11.327 18.498 -5.258 1.00 0.00 C ATOM 1146 CE LYS A 913 11.304 19.715 -4.325 1.00 0.00 C ATOM 1147 NZ LYS A 913 11.771 20.955 -4.978 1.00 0.00 N ATOM 0 H LYS A 913 14.232 15.459 -4.983 1.00 0.00 H new ATOM 0 HA LYS A 913 15.478 17.972 -5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 913 13.270 17.272 -3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 913 13.891 18.893 -4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 913 13.094 18.943 -6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 913 12.683 17.240 -6.374 1.00 0.00 H new ATOM 0 HD2 LYS A 913 10.677 18.692 -6.111 1.00 0.00 H new ATOM 0 HD3 LYS A 913 10.914 17.638 -4.731 1.00 0.00 H new ATOM 0 HE2 LYS A 913 10.289 19.865 -3.958 1.00 0.00 H new ATOM 0 HE3 LYS A 913 11.930 19.511 -3.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 11.733 21.741 -4.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 12.750 20.828 -5.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 11.160 21.171 -5.791 1.00 0.00 H new ATOM 1161 N CYS A 914 15.734 16.552 -2.863 1.00 0.00 N ATOM 1162 CA CYS A 914 16.517 16.498 -1.648 1.00 0.00 C ATOM 1163 C CYS A 914 17.816 15.732 -1.758 1.00 0.00 C ATOM 1164 O CYS A 914 18.777 16.057 -1.084 1.00 0.00 O ATOM 1165 CB CYS A 914 15.669 16.021 -0.498 1.00 0.00 C ATOM 1166 SG CYS A 914 14.487 17.256 0.020 1.00 0.00 S ATOM 0 H CYS A 914 14.935 15.918 -2.876 1.00 0.00 H new ATOM 0 HA CYS A 914 16.836 17.522 -1.453 1.00 0.00 H new ATOM 0 HB2 CYS A 914 15.141 15.113 -0.789 1.00 0.00 H new ATOM 0 HB3 CYS A 914 16.312 15.760 0.342 1.00 0.00 H new ATOM 1171 N ALA A 915 17.856 14.741 -2.583 1.00 0.00 N ATOM 1172 CA ALA A 915 19.079 14.019 -2.786 1.00 0.00 C ATOM 1173 C ALA A 915 19.961 14.822 -3.691 1.00 0.00 C ATOM 1174 O ALA A 915 21.167 14.755 -3.610 1.00 0.00 O ATOM 1175 CB ALA A 915 18.822 12.653 -3.369 1.00 0.00 C ATOM 0 H ALA A 915 17.062 14.408 -3.129 1.00 0.00 H new ATOM 0 HA ALA A 915 19.570 13.868 -1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 915 19.770 12.133 -3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 915 18.192 12.080 -2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 915 18.319 12.756 -4.330 1.00 0.00 H new ATOM 1181 N ASN A 916 19.325 15.635 -4.507 1.00 0.00 N ATOM 1182 CA ASN A 916 19.985 16.493 -5.481 1.00 0.00 C ATOM 1183 C ASN A 916 20.896 17.469 -4.751 1.00 0.00 C ATOM 1184 O ASN A 916 22.064 17.631 -5.100 1.00 0.00 O ATOM 1185 CB ASN A 916 18.914 17.250 -6.257 1.00 0.00 C ATOM 1186 CG ASN A 916 19.378 17.898 -7.540 1.00 0.00 C ATOM 1187 OD1 ASN A 916 20.526 18.297 -7.692 1.00 0.00 O ATOM 1188 ND2 ASN A 916 18.476 17.988 -8.484 1.00 0.00 N ATOM 0 H ASN A 916 18.309 15.723 -4.515 1.00 0.00 H new ATOM 0 HA ASN A 916 20.586 15.901 -6.171 1.00 0.00 H new ATOM 0 HB2 ASN A 916 18.103 16.560 -6.491 1.00 0.00 H new ATOM 0 HB3 ASN A 916 18.498 18.022 -5.610 1.00 0.00 H new ATOM 0 HD21 ASN A 916 18.719 18.402 -9.384 1.00 0.00 H new ATOM 0 HD22 ASN A 916 17.530 17.644 -8.320 1.00 0.00 H new ATOM 1195 N LYS A 917 20.375 18.045 -3.688 1.00 0.00 N ATOM 1196 CA LYS A 917 21.111 19.009 -2.881 1.00 0.00 C ATOM 1197 C LYS A 917 22.179 18.330 -2.007 1.00 0.00 C ATOM 1198 O LYS A 917 22.953 19.000 -1.338 1.00 0.00 O ATOM 1199 CB LYS A 917 20.143 19.833 -2.021 1.00 0.00 C ATOM 1200 CG LYS A 917 19.428 19.022 -0.969 1.00 0.00 C ATOM 1201 CD LYS A 917 18.352 19.815 -0.251 1.00 0.00 C ATOM 1202 CE LYS A 917 17.674 18.964 0.812 1.00 0.00 C ATOM 1203 NZ LYS A 917 16.521 19.646 1.426 1.00 0.00 N ATOM 0 H LYS A 917 19.429 17.861 -3.355 1.00 0.00 H new ATOM 0 HA LYS A 917 21.634 19.680 -3.562 1.00 0.00 H new ATOM 0 HB2 LYS A 917 20.696 20.636 -1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 917 19.404 20.303 -2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 917 18.978 18.146 -1.435 1.00 0.00 H new ATOM 0 HG3 LYS A 917 20.153 18.659 -0.241 1.00 0.00 H new ATOM 0 HD2 LYS A 917 18.792 20.699 0.210 1.00 0.00 H new ATOM 0 HD3 LYS A 917 17.611 20.166 -0.970 1.00 0.00 H new ATOM 0 HE2 LYS A 917 17.343 18.026 0.366 1.00 0.00 H new ATOM 0 HE3 LYS A 917 18.398 18.711 1.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 16.325 19.227 2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 16.736 20.657 1.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 15.687 19.536 0.815 1.00 0.00 H new ATOM 1217 N ILE A 918 22.198 17.007 -1.991 1.00 0.00 N ATOM 1218 CA ILE A 918 23.215 16.272 -1.266 1.00 0.00 C ATOM 1219 C ILE A 918 24.503 16.244 -2.076 1.00 0.00 C ATOM 1220 O ILE A 918 25.577 16.559 -1.564 1.00 0.00 O ATOM 1221 CB ILE A 918 22.760 14.819 -0.962 1.00 0.00 C ATOM 1222 CG1 ILE A 918 21.466 14.817 -0.142 1.00 0.00 C ATOM 1223 CG2 ILE A 918 23.857 14.015 -0.253 1.00 0.00 C ATOM 1224 CD1 ILE A 918 21.581 15.411 1.251 1.00 0.00 C ATOM 0 H ILE A 918 21.517 16.421 -2.474 1.00 0.00 H new ATOM 0 HA ILE A 918 23.384 16.779 -0.316 1.00 0.00 H new ATOM 0 HB ILE A 918 22.565 14.330 -1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 918 20.705 15.369 -0.693 1.00 0.00 H new ATOM 0 HG13 ILE A 918 21.113 13.790 -0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 918 23.499 13.004 -0.058 1.00 0.00 H new ATOM 0 HG22 ILE A 918 24.743 13.970 -0.887 1.00 0.00 H new ATOM 0 HG23 ILE A 918 24.110 14.498 0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 918 20.612 15.362 1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 918 22.314 14.847 1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 918 21.900 16.451 1.178 1.00 0.00 H new ATOM 1236 N LYS A 919 24.398 15.907 -3.353 1.00 0.00 N ATOM 1237 CA LYS A 919 25.589 15.817 -4.182 1.00 0.00 C ATOM 1238 C LYS A 919 26.028 17.162 -4.734 1.00 0.00 C ATOM 1239 O LYS A 919 25.735 17.535 -5.869 1.00 0.00 O ATOM 1240 CB LYS A 919 25.614 14.654 -5.246 1.00 0.00 C ATOM 1241 CG LYS A 919 24.506 14.598 -6.320 1.00 0.00 C ATOM 1242 CD LYS A 919 23.155 14.240 -5.738 1.00 0.00 C ATOM 1243 CE LYS A 919 22.091 13.989 -6.804 1.00 0.00 C ATOM 1244 NZ LYS A 919 22.328 12.751 -7.570 1.00 0.00 N ATOM 0 H LYS A 919 23.521 15.696 -3.829 1.00 0.00 H new ATOM 0 HA LYS A 919 26.361 15.502 -3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 919 26.572 14.702 -5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 919 25.593 13.710 -4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 919 24.439 15.565 -6.819 1.00 0.00 H new ATOM 0 HG3 LYS A 919 24.777 13.865 -7.080 1.00 0.00 H new ATOM 0 HD2 LYS A 919 23.257 13.349 -5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 919 22.823 15.046 -5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 919 21.112 13.934 -6.328 1.00 0.00 H new ATOM 0 HE3 LYS A 919 22.064 14.836 -7.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 919 21.510 12.560 -8.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 919 23.180 12.863 -8.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 919 22.461 11.956 -6.913 1.00 0.00 H new ATOM 1258 N LYS A 920 26.629 17.902 -3.853 1.00 0.00 N ATOM 1259 CA LYS A 920 27.238 19.174 -4.086 1.00 0.00 C ATOM 1260 C LYS A 920 28.228 19.343 -2.961 1.00 0.00 C ATOM 1261 O LYS A 920 28.323 18.446 -2.097 1.00 0.00 O ATOM 1262 CB LYS A 920 26.207 20.315 -4.076 1.00 0.00 C ATOM 1263 CG LYS A 920 25.440 20.455 -2.783 1.00 0.00 C ATOM 1264 CD LYS A 920 24.420 21.586 -2.826 1.00 0.00 C ATOM 1265 CE LYS A 920 25.023 22.998 -2.681 1.00 0.00 C ATOM 1266 NZ LYS A 920 25.681 23.519 -3.905 1.00 0.00 N ATOM 0 H LYS A 920 26.712 17.609 -2.879 1.00 0.00 H new ATOM 0 HA LYS A 920 27.710 19.212 -5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 920 26.721 21.254 -4.282 1.00 0.00 H new ATOM 0 HB3 LYS A 920 25.498 20.154 -4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 920 24.928 19.518 -2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 920 26.140 20.633 -1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 920 23.876 21.532 -3.769 1.00 0.00 H new ATOM 0 HD3 LYS A 920 23.692 21.432 -2.029 1.00 0.00 H new ATOM 0 HE2 LYS A 920 24.232 23.688 -2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 920 25.751 22.986 -1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 920 25.515 24.543 -3.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 920 26.704 23.337 -3.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 920 25.286 23.043 -4.741 1.00 0.00 H new ATOM 1280 N ASP A 921 28.950 20.410 -2.930 1.00 0.00 N ATOM 1281 CA ASP A 921 29.901 20.606 -1.856 1.00 0.00 C ATOM 1282 C ASP A 921 29.202 21.376 -0.707 1.00 0.00 C ATOM 1283 O ASP A 921 27.956 21.458 -0.675 1.00 0.00 O ATOM 1284 CB ASP A 921 31.149 21.348 -2.380 1.00 0.00 C ATOM 1285 CG ASP A 921 32.339 21.240 -1.444 1.00 0.00 C ATOM 1286 OD1 ASP A 921 33.098 20.244 -1.538 1.00 0.00 O ATOM 1287 OD2 ASP A 921 32.507 22.119 -0.576 1.00 0.00 O ATOM 0 H ASP A 921 28.912 21.160 -3.620 1.00 0.00 H new ATOM 0 HA ASP A 921 30.242 19.646 -1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 921 31.423 20.944 -3.355 1.00 0.00 H new ATOM 0 HB3 ASP A 921 30.904 22.400 -2.528 1.00 0.00 H new ATOM 1292 N LYS A 922 29.963 21.901 0.224 1.00 0.00 N ATOM 1293 CA LYS A 922 29.424 22.641 1.335 1.00 0.00 C ATOM 1294 C LYS A 922 28.897 23.973 0.833 1.00 0.00 C ATOM 1295 O LYS A 922 29.502 24.606 -0.054 1.00 0.00 O ATOM 1296 CB LYS A 922 30.493 22.839 2.418 1.00 0.00 C ATOM 1297 CG LYS A 922 30.975 21.547 3.083 1.00 0.00 C ATOM 1298 CD LYS A 922 29.861 20.852 3.861 1.00 0.00 C ATOM 1299 CE LYS A 922 30.375 19.617 4.585 1.00 0.00 C ATOM 1300 NZ LYS A 922 29.314 18.950 5.374 1.00 0.00 N ATOM 0 H LYS A 922 30.980 21.825 0.230 1.00 0.00 H new ATOM 0 HA LYS A 922 28.603 22.082 1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 922 31.350 23.346 1.975 1.00 0.00 H new ATOM 0 HB3 LYS A 922 30.094 23.501 3.187 1.00 0.00 H new ATOM 0 HG2 LYS A 922 31.362 20.870 2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 922 31.801 21.773 3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 922 29.432 21.547 4.583 1.00 0.00 H new ATOM 0 HD3 LYS A 922 29.061 20.568 3.178 1.00 0.00 H new ATOM 0 HE2 LYS A 922 30.781 18.914 3.858 1.00 0.00 H new ATOM 0 HE3 LYS A 922 31.194 19.900 5.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 29.709 18.114 5.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 28.943 19.611 6.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 28.543 18.656 4.741 1.00 0.00 H new ATOM 1314 N LYS A 923 27.792 24.389 1.366 1.00 0.00 N ATOM 1315 CA LYS A 923 27.132 25.566 0.886 1.00 0.00 C ATOM 1316 C LYS A 923 27.100 26.665 1.922 1.00 0.00 C ATOM 1317 O LYS A 923 26.754 26.440 3.090 1.00 0.00 O ATOM 1318 CB LYS A 923 25.722 25.230 0.380 1.00 0.00 C ATOM 1319 CG LYS A 923 24.874 24.471 1.377 1.00 0.00 C ATOM 1320 CD LYS A 923 23.504 24.138 0.829 1.00 0.00 C ATOM 1321 CE LYS A 923 22.709 23.307 1.825 1.00 0.00 C ATOM 1322 NZ LYS A 923 22.503 24.006 3.109 1.00 0.00 N ATOM 0 H LYS A 923 27.322 23.926 2.143 1.00 0.00 H new ATOM 0 HA LYS A 923 27.714 25.946 0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 923 25.212 26.156 0.116 1.00 0.00 H new ATOM 0 HB3 LYS A 923 25.806 24.641 -0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 923 25.384 23.550 1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 923 24.765 25.065 2.285 1.00 0.00 H new ATOM 0 HD2 LYS A 923 22.964 25.058 0.604 1.00 0.00 H new ATOM 0 HD3 LYS A 923 23.606 23.591 -0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 923 21.740 23.056 1.392 1.00 0.00 H new ATOM 0 HE3 LYS A 923 23.230 22.367 2.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 923 21.820 23.476 3.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 923 23.408 24.072 3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 923 22.136 24.962 2.929 1.00 0.00 H new ATOM 1336 N HIS A 924 27.502 27.827 1.490 1.00 0.00 N ATOM 1337 CA HIS A 924 27.494 29.030 2.274 1.00 0.00 C ATOM 1338 C HIS A 924 27.888 30.139 1.316 1.00 0.00 C ATOM 1339 O HIS A 924 28.963 30.737 1.473 1.00 0.00 O ATOM 1340 CB HIS A 924 28.508 28.928 3.438 1.00 0.00 C ATOM 1341 CG HIS A 924 28.426 30.036 4.444 1.00 0.00 C ATOM 1342 ND1 HIS A 924 29.306 31.088 4.483 1.00 0.00 N ATOM 1343 CD2 HIS A 924 27.585 30.217 5.480 1.00 0.00 C ATOM 1344 CE1 HIS A 924 29.012 31.869 5.503 1.00 0.00 C ATOM 1345 NE2 HIS A 924 27.969 31.362 6.127 1.00 0.00 N ATOM 1346 OXT HIS A 924 27.186 30.302 0.298 1.00 0.00 O ATOM 0 H HIS A 924 27.858 27.968 0.545 1.00 0.00 H new ATOM 0 HA HIS A 924 26.518 29.213 2.724 1.00 0.00 H new ATOM 0 HB2 HIS A 924 28.356 27.979 3.951 1.00 0.00 H new ATOM 0 HB3 HIS A 924 29.515 28.908 3.022 1.00 0.00 H new ATOM 0 HD2 HIS A 924 26.759 29.577 5.751 1.00 0.00 H new ATOM 0 HE1 HIS A 924 29.537 32.771 5.780 1.00 0.00 H new ATOM 0 HE2 HIS A 924 27.521 31.756 6.954 1.00 0.00 H new TER 1355 HIS A 924 HETATM 1356 ZN ZN A 940 12.741 15.731 -0.475 1.00 0.00 ZN HETATM 1357 ZN ZN A 941 4.059 9.568 -9.365 1.00 0.00 ZN