USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 650 hydrogens (15 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: B 4 MLZ H2 : B 4 MLZ N : B 3 THR C :(H bumps) USER MOD NoAdj-H: B 4 MLZ H : B 4 MLZ N : B 3 THR C :(H bumps) USER MOD Single : A 851 SER OG : rot 63:sc= 1.11 USER MOD Single : A 855 SER OG : rot 180:sc= 0 USER MOD Single : A 858 SER OG : rot 180:sc= 0 USER MOD Single : A 861 THR OG1 : rot 180:sc= 0 USER MOD Single : A 863 SER OG : rot 140:sc= 0.0213 USER MOD Single : A 873 LYS NZ :NH3+ -168:sc= 1.79 (180deg=1.65) USER MOD Single : A 880 SER OG : rot 180:sc= 0 USER MOD Single : A 884 SER OG : rot 180:sc= 0 USER MOD Single : A 888 SER OG : rot 180:sc= 0 USER MOD Single : A 889 SER OG : rot 180:sc= 0.00189 USER MOD Single : A 894 MET CE :methyl -167:sc=-0.00583 (180deg=-0.236) USER MOD Single : A 895 ASN : amide:sc= 2.51 K(o=2.5,f=-0.02) USER MOD Single : A 896 ASN : amide:sc=-0.00217 X(o=-0.0022,f=-0.003) USER MOD Single : A 897 SER OG : rot 180:sc= 0 USER MOD Single : A 899 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 905 SER OG : rot 180:sc= 0 USER MOD Single : A 906 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 907 SER OG : rot 180:sc= 0.351 USER MOD Single : A 908 GLN : amide:sc= 0.644 K(o=0.64,f=-0.25) USER MOD Single : A 910 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 911 SER OG : rot 180:sc= 0 USER MOD Single : A 912 ASN : amide:sc= -0.0506 X(o=-0.051,f=-0.25) USER MOD Single : A 916 ASN : amide:sc= 0.873 K(o=0.87,f=-5.1!) USER MOD Single : A 923 GLN : amide:sc= 0.237 K(o=0.24,f=-6.7!) USER MOD Single : B 1 ALA N :NH3+ 179:sc= 0.324 (180deg=0.324) USER MOD Single : B 3 THR OG1 : rot 55:sc= 0.0696 USER MOD Single : B 5 GLN : amide:sc= 1.55 K(o=1.6,f=-6.3!) USER MOD Single : B 6 THR OG1 : rot 45:sc= 0.327 USER MOD Single : B 9 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 850 0.439 -7.113 -6.003 1.00 0.00 N ATOM 2 CA GLY A 850 -0.806 -7.536 -5.324 1.00 0.00 C ATOM 3 C GLY A 850 -2.006 -7.386 -6.242 1.00 0.00 C ATOM 4 O GLY A 850 -2.276 -6.276 -6.708 1.00 0.00 O ATOM 0 HA2 GLY A 850 -0.715 -8.574 -5.005 1.00 0.00 H new ATOM 0 HA3 GLY A 850 -0.955 -6.938 -4.425 1.00 0.00 H new ATOM 10 N SER A 851 -2.728 -8.490 -6.492 1.00 0.00 N ATOM 11 CA SER A 851 -3.773 -8.647 -7.529 1.00 0.00 C ATOM 12 C SER A 851 -3.243 -8.523 -8.973 1.00 0.00 C ATOM 13 O SER A 851 -2.137 -8.036 -9.215 1.00 0.00 O ATOM 14 CB SER A 851 -4.969 -7.737 -7.220 1.00 0.00 C ATOM 15 OG SER A 851 -6.019 -7.851 -8.170 1.00 0.00 O ATOM 0 H SER A 851 -2.595 -9.344 -5.951 1.00 0.00 H new ATOM 0 HA SER A 851 -4.129 -9.676 -7.484 1.00 0.00 H new ATOM 0 HB2 SER A 851 -5.355 -7.979 -6.230 1.00 0.00 H new ATOM 0 HB3 SER A 851 -4.630 -6.702 -7.185 1.00 0.00 H new ATOM 0 HG SER A 851 -6.376 -8.764 -8.155 1.00 0.00 H new ATOM 21 N ARG A 852 -4.024 -8.999 -9.954 1.00 0.00 N ATOM 22 CA ARG A 852 -3.635 -9.160 -11.374 1.00 0.00 C ATOM 23 C ARG A 852 -3.832 -7.884 -12.216 1.00 0.00 C ATOM 24 O ARG A 852 -3.929 -7.945 -13.442 1.00 0.00 O ATOM 25 CB ARG A 852 -4.304 -10.405 -12.005 1.00 0.00 C ATOM 26 CG ARG A 852 -4.075 -11.731 -11.259 1.00 0.00 C ATOM 27 CD ARG A 852 -5.117 -12.009 -10.164 1.00 0.00 C ATOM 28 NE ARG A 852 -4.776 -13.203 -9.364 1.00 0.00 N ATOM 29 CZ ARG A 852 -5.154 -13.443 -8.118 1.00 0.00 C ATOM 30 NH1 ARG A 852 -5.906 -12.610 -7.460 1.00 0.00 N1+ ATOM 31 NH2 ARG A 852 -4.783 -14.529 -7.505 1.00 0.00 N ATOM 0 H ARG A 852 -4.984 -9.296 -9.779 1.00 0.00 H new ATOM 0 HA ARG A 852 -2.559 -9.333 -11.380 1.00 0.00 H new ATOM 0 HB2 ARG A 852 -5.377 -10.225 -12.069 1.00 0.00 H new ATOM 0 HB3 ARG A 852 -3.937 -10.515 -13.026 1.00 0.00 H new ATOM 0 HG2 ARG A 852 -4.089 -12.550 -11.978 1.00 0.00 H new ATOM 0 HG3 ARG A 852 -3.082 -11.718 -10.809 1.00 0.00 H new ATOM 0 HD2 ARG A 852 -5.192 -11.142 -9.507 1.00 0.00 H new ATOM 0 HD3 ARG A 852 -6.096 -12.148 -10.622 1.00 0.00 H new ATOM 0 HE ARG A 852 -4.194 -13.910 -9.814 1.00 0.00 H new ATOM 0 HH11 ARG A 852 -6.219 -11.746 -7.903 1.00 0.00 H new ATOM 0 HH12 ARG A 852 -6.182 -12.820 -6.501 1.00 0.00 H new ATOM 0 HH21 ARG A 852 -4.193 -15.209 -7.984 1.00 0.00 H new ATOM 0 HH22 ARG A 852 -5.082 -14.700 -6.545 1.00 0.00 H new ATOM 45 N ARG A 853 -3.920 -6.722 -11.558 1.00 0.00 N ATOM 46 CA ARG A 853 -4.048 -5.386 -12.172 1.00 0.00 C ATOM 47 C ARG A 853 -2.891 -5.059 -13.127 1.00 0.00 C ATOM 48 O ARG A 853 -1.743 -5.441 -12.893 1.00 0.00 O ATOM 49 CB ARG A 853 -4.223 -4.286 -11.101 1.00 0.00 C ATOM 50 CG ARG A 853 -3.442 -4.485 -9.787 1.00 0.00 C ATOM 51 CD ARG A 853 -3.599 -3.265 -8.870 1.00 0.00 C ATOM 52 NE ARG A 853 -3.213 -3.573 -7.478 1.00 0.00 N ATOM 53 CZ ARG A 853 -3.324 -2.768 -6.435 1.00 0.00 C ATOM 54 NH1 ARG A 853 -3.685 -1.519 -6.553 1.00 0.00 N1+ ATOM 55 NH2 ARG A 853 -3.072 -3.209 -5.239 1.00 0.00 N ATOM 0 H ARG A 853 -3.904 -6.680 -10.539 1.00 0.00 H new ATOM 0 HA ARG A 853 -4.953 -5.410 -12.779 1.00 0.00 H new ATOM 0 HB2 ARG A 853 -3.923 -3.333 -11.537 1.00 0.00 H new ATOM 0 HB3 ARG A 853 -5.283 -4.207 -10.861 1.00 0.00 H new ATOM 0 HG2 ARG A 853 -3.802 -5.378 -9.276 1.00 0.00 H new ATOM 0 HG3 ARG A 853 -2.387 -4.647 -10.007 1.00 0.00 H new ATOM 0 HD2 ARG A 853 -2.985 -2.447 -9.245 1.00 0.00 H new ATOM 0 HD3 ARG A 853 -4.634 -2.923 -8.893 1.00 0.00 H new ATOM 0 HE ARG A 853 -2.822 -4.499 -7.304 1.00 0.00 H new ATOM 0 HH11 ARG A 853 -3.893 -1.133 -7.474 1.00 0.00 H new ATOM 0 HH12 ARG A 853 -3.759 -0.929 -5.724 1.00 0.00 H new ATOM 0 HH21 ARG A 853 -2.788 -4.179 -5.103 1.00 0.00 H new ATOM 0 HH22 ARG A 853 -3.159 -2.585 -4.437 1.00 0.00 H new ATOM 69 N ALA A 854 -3.214 -4.317 -14.186 1.00 0.00 N ATOM 70 CA ALA A 854 -2.310 -3.897 -15.258 1.00 0.00 C ATOM 71 C ALA A 854 -2.739 -2.537 -15.847 1.00 0.00 C ATOM 72 O ALA A 854 -3.871 -2.097 -15.624 1.00 0.00 O ATOM 73 CB ALA A 854 -2.297 -4.995 -16.333 1.00 0.00 C ATOM 0 H ALA A 854 -4.164 -3.974 -14.327 1.00 0.00 H new ATOM 0 HA ALA A 854 -1.304 -3.761 -14.862 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -1.629 -4.703 -17.143 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -1.948 -5.930 -15.894 1.00 0.00 H new ATOM 0 HB3 ALA A 854 -3.305 -5.132 -16.725 1.00 0.00 H new ATOM 79 N SER A 855 -1.834 -1.893 -16.598 1.00 0.00 N ATOM 80 CA SER A 855 -2.033 -0.619 -17.319 1.00 0.00 C ATOM 81 C SER A 855 -2.688 0.490 -16.464 1.00 0.00 C ATOM 82 O SER A 855 -2.405 0.595 -15.268 1.00 0.00 O ATOM 83 CB SER A 855 -2.698 -0.873 -18.686 1.00 0.00 C ATOM 84 OG SER A 855 -4.056 -1.268 -18.586 1.00 0.00 O ATOM 0 H SER A 855 -0.892 -2.263 -16.728 1.00 0.00 H new ATOM 0 HA SER A 855 -1.050 -0.196 -17.529 1.00 0.00 H new ATOM 0 HB2 SER A 855 -2.634 0.034 -19.287 1.00 0.00 H new ATOM 0 HB3 SER A 855 -2.140 -1.646 -19.215 1.00 0.00 H new ATOM 0 HG SER A 855 -4.422 -1.412 -19.484 1.00 0.00 H new ATOM 90 N VAL A 856 -3.517 1.352 -17.065 1.00 0.00 N ATOM 91 CA VAL A 856 -4.191 2.503 -16.427 1.00 0.00 C ATOM 92 C VAL A 856 -5.614 2.703 -16.963 1.00 0.00 C ATOM 93 O VAL A 856 -5.971 2.204 -18.032 1.00 0.00 O ATOM 94 CB VAL A 856 -3.394 3.820 -16.578 1.00 0.00 C ATOM 95 CG1 VAL A 856 -2.081 3.789 -15.796 1.00 0.00 C ATOM 96 CG2 VAL A 856 -3.120 4.200 -18.037 1.00 0.00 C ATOM 0 H VAL A 856 -3.751 1.267 -18.054 1.00 0.00 H new ATOM 0 HA VAL A 856 -4.243 2.257 -15.366 1.00 0.00 H new ATOM 0 HB VAL A 856 -4.039 4.590 -16.155 1.00 0.00 H new ATOM 0 HG11 VAL A 856 -1.555 4.734 -15.931 1.00 0.00 H new ATOM 0 HG12 VAL A 856 -2.292 3.639 -14.737 1.00 0.00 H new ATOM 0 HG13 VAL A 856 -1.459 2.972 -16.161 1.00 0.00 H new ATOM 0 HG21 VAL A 856 -2.558 5.133 -18.070 1.00 0.00 H new ATOM 0 HG22 VAL A 856 -2.541 3.410 -18.516 1.00 0.00 H new ATOM 0 HG23 VAL A 856 -4.066 4.327 -18.564 1.00 0.00 H new ATOM 106 N GLY A 857 -6.420 3.450 -16.207 1.00 0.00 N ATOM 107 CA GLY A 857 -7.766 3.888 -16.574 1.00 0.00 C ATOM 108 C GLY A 857 -7.884 5.416 -16.550 1.00 0.00 C ATOM 109 O GLY A 857 -6.961 6.138 -16.933 1.00 0.00 O ATOM 0 H GLY A 857 -6.140 3.780 -15.283 1.00 0.00 H new ATOM 0 HA2 GLY A 857 -8.011 3.518 -17.570 1.00 0.00 H new ATOM 0 HA3 GLY A 857 -8.491 3.455 -15.885 1.00 0.00 H new ATOM 113 N SER A 858 -9.034 5.898 -16.085 1.00 0.00 N ATOM 114 CA SER A 858 -9.396 7.318 -15.972 1.00 0.00 C ATOM 115 C SER A 858 -10.544 7.544 -14.975 1.00 0.00 C ATOM 116 O SER A 858 -11.210 6.592 -14.559 1.00 0.00 O ATOM 117 CB SER A 858 -9.796 7.851 -17.353 1.00 0.00 C ATOM 118 OG SER A 858 -10.995 7.259 -17.831 1.00 0.00 O ATOM 0 H SER A 858 -9.779 5.282 -15.759 1.00 0.00 H new ATOM 0 HA SER A 858 -8.526 7.857 -15.596 1.00 0.00 H new ATOM 0 HB2 SER A 858 -9.923 8.932 -17.300 1.00 0.00 H new ATOM 0 HB3 SER A 858 -8.991 7.659 -18.062 1.00 0.00 H new ATOM 0 HG SER A 858 -11.214 7.628 -18.712 1.00 0.00 H new ATOM 124 N GLU A 859 -10.796 8.805 -14.607 1.00 0.00 N ATOM 125 CA GLU A 859 -11.983 9.239 -13.850 1.00 0.00 C ATOM 126 C GLU A 859 -12.474 10.615 -14.334 1.00 0.00 C ATOM 127 O GLU A 859 -11.717 11.591 -14.330 1.00 0.00 O ATOM 128 CB GLU A 859 -11.709 9.329 -12.338 1.00 0.00 C ATOM 129 CG GLU A 859 -11.328 8.008 -11.650 1.00 0.00 C ATOM 130 CD GLU A 859 -11.020 8.198 -10.147 1.00 0.00 C ATOM 131 OE1 GLU A 859 -11.768 8.919 -9.439 1.00 0.00 O ATOM 132 OE2 GLU A 859 -10.023 7.616 -9.656 1.00 0.00 O1- ATOM 0 H GLU A 859 -10.166 9.575 -14.832 1.00 0.00 H new ATOM 0 HA GLU A 859 -12.747 8.482 -14.027 1.00 0.00 H new ATOM 0 HB2 GLU A 859 -10.905 10.047 -12.175 1.00 0.00 H new ATOM 0 HB3 GLU A 859 -12.598 9.729 -11.849 1.00 0.00 H new ATOM 0 HG2 GLU A 859 -12.143 7.293 -11.764 1.00 0.00 H new ATOM 0 HG3 GLU A 859 -10.457 7.580 -12.146 1.00 0.00 H new ATOM 139 N PHE A 860 -13.755 10.698 -14.701 1.00 0.00 N ATOM 140 CA PHE A 860 -14.444 11.914 -15.152 1.00 0.00 C ATOM 141 C PHE A 860 -15.928 11.925 -14.742 1.00 0.00 C ATOM 142 O PHE A 860 -16.371 12.859 -14.069 1.00 0.00 O ATOM 143 CB PHE A 860 -14.342 12.064 -16.684 1.00 0.00 C ATOM 144 CG PHE A 860 -12.942 12.121 -17.269 1.00 0.00 C ATOM 145 CD1 PHE A 860 -12.415 11.010 -17.957 1.00 0.00 C ATOM 146 CD2 PHE A 860 -12.179 13.300 -17.162 1.00 0.00 C ATOM 147 CE1 PHE A 860 -11.138 11.082 -18.543 1.00 0.00 C ATOM 148 CE2 PHE A 860 -10.895 13.367 -17.736 1.00 0.00 C ATOM 149 CZ PHE A 860 -10.375 12.258 -18.428 1.00 0.00 C ATOM 0 H PHE A 860 -14.370 9.884 -14.692 1.00 0.00 H new ATOM 0 HA PHE A 860 -13.947 12.753 -14.665 1.00 0.00 H new ATOM 0 HB2 PHE A 860 -14.870 11.229 -17.144 1.00 0.00 H new ATOM 0 HB3 PHE A 860 -14.870 12.973 -16.973 1.00 0.00 H new ATOM 0 HD1 PHE A 860 -12.993 10.101 -18.035 1.00 0.00 H new ATOM 0 HD2 PHE A 860 -12.580 14.155 -16.638 1.00 0.00 H new ATOM 0 HE1 PHE A 860 -10.743 10.233 -19.082 1.00 0.00 H new ATOM 0 HE2 PHE A 860 -10.309 14.270 -17.645 1.00 0.00 H new ATOM 0 HZ PHE A 860 -9.391 12.310 -18.870 1.00 0.00 H new ATOM 159 N THR A 861 -16.699 10.905 -15.143 1.00 0.00 N ATOM 160 CA THR A 861 -18.179 10.904 -15.124 1.00 0.00 C ATOM 161 C THR A 861 -18.804 9.505 -15.058 1.00 0.00 C ATOM 162 O THR A 861 -18.192 8.512 -15.451 1.00 0.00 O ATOM 163 CB THR A 861 -18.771 11.617 -16.365 1.00 0.00 C ATOM 164 OG1 THR A 861 -18.083 11.291 -17.560 1.00 0.00 O ATOM 165 CG2 THR A 861 -18.791 13.133 -16.214 1.00 0.00 C ATOM 0 H THR A 861 -16.307 10.033 -15.499 1.00 0.00 H new ATOM 0 HA THR A 861 -18.429 11.440 -14.208 1.00 0.00 H new ATOM 0 HB THR A 861 -19.796 11.252 -16.433 1.00 0.00 H new ATOM 0 HG1 THR A 861 -18.494 11.763 -18.314 1.00 0.00 H new ATOM 0 HG21 THR A 861 -19.215 13.582 -17.112 1.00 0.00 H new ATOM 0 HG22 THR A 861 -19.398 13.405 -15.350 1.00 0.00 H new ATOM 0 HG23 THR A 861 -17.774 13.498 -16.072 1.00 0.00 H new ATOM 173 N GLU A 862 -20.076 9.476 -14.635 1.00 0.00 N ATOM 174 CA GLU A 862 -20.980 8.307 -14.542 1.00 0.00 C ATOM 175 C GLU A 862 -20.568 7.198 -13.546 1.00 0.00 C ATOM 176 O GLU A 862 -19.398 7.019 -13.202 1.00 0.00 O ATOM 177 CB GLU A 862 -21.294 7.715 -15.935 1.00 0.00 C ATOM 178 CG GLU A 862 -21.940 8.723 -16.900 1.00 0.00 C ATOM 179 CD GLU A 862 -22.142 8.136 -18.315 1.00 0.00 C ATOM 180 OE1 GLU A 862 -21.707 8.775 -19.305 1.00 0.00 O ATOM 181 OE2 GLU A 862 -22.761 7.054 -18.457 1.00 0.00 O1- ATOM 0 H GLU A 862 -20.540 10.330 -14.324 1.00 0.00 H new ATOM 0 HA GLU A 862 -21.889 8.726 -14.110 1.00 0.00 H new ATOM 0 HB2 GLU A 862 -20.371 7.341 -16.378 1.00 0.00 H new ATOM 0 HB3 GLU A 862 -21.960 6.860 -15.816 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -22.903 9.039 -16.500 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -21.314 9.613 -16.965 1.00 0.00 H new ATOM 188 N SER A 863 -21.559 6.422 -13.089 1.00 0.00 N ATOM 189 CA SER A 863 -21.378 5.167 -12.345 1.00 0.00 C ATOM 190 C SER A 863 -20.490 4.185 -13.115 1.00 0.00 C ATOM 191 O SER A 863 -20.687 3.952 -14.312 1.00 0.00 O ATOM 192 CB SER A 863 -22.734 4.522 -12.067 1.00 0.00 C ATOM 193 OG SER A 863 -23.521 5.412 -11.290 1.00 0.00 O ATOM 0 H SER A 863 -22.541 6.657 -13.231 1.00 0.00 H new ATOM 0 HA SER A 863 -20.886 5.406 -11.402 1.00 0.00 H new ATOM 0 HB2 SER A 863 -23.241 4.293 -13.004 1.00 0.00 H new ATOM 0 HB3 SER A 863 -22.600 3.578 -11.538 1.00 0.00 H new ATOM 0 HG SER A 863 -24.450 5.385 -11.602 1.00 0.00 H new ATOM 199 N ALA A 864 -19.509 3.604 -12.427 1.00 0.00 N ATOM 200 CA ALA A 864 -18.319 3.012 -13.051 1.00 0.00 C ATOM 201 C ALA A 864 -17.999 1.644 -12.446 1.00 0.00 C ATOM 202 O ALA A 864 -18.756 1.136 -11.625 1.00 0.00 O ATOM 203 CB ALA A 864 -17.150 3.999 -12.922 1.00 0.00 C ATOM 0 H ALA A 864 -19.515 3.528 -11.410 1.00 0.00 H new ATOM 0 HA ALA A 864 -18.506 2.834 -14.110 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -16.260 3.571 -13.382 1.00 0.00 H new ATOM 0 HB2 ALA A 864 -17.405 4.932 -13.424 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -16.955 4.196 -11.868 1.00 0.00 H new ATOM 209 N TRP A 865 -16.914 1.003 -12.864 1.00 0.00 N ATOM 210 CA TRP A 865 -16.538 -0.304 -12.316 1.00 0.00 C ATOM 211 C TRP A 865 -15.588 -0.207 -11.117 1.00 0.00 C ATOM 212 O TRP A 865 -15.097 0.865 -10.752 1.00 0.00 O ATOM 213 CB TRP A 865 -15.982 -1.153 -13.457 1.00 0.00 C ATOM 214 CG TRP A 865 -16.973 -1.356 -14.563 1.00 0.00 C ATOM 215 CD1 TRP A 865 -17.299 -0.453 -15.516 1.00 0.00 C ATOM 216 CD2 TRP A 865 -17.844 -2.501 -14.793 1.00 0.00 C ATOM 217 NE1 TRP A 865 -18.327 -0.941 -16.295 1.00 0.00 N ATOM 218 CE2 TRP A 865 -18.677 -2.226 -15.919 1.00 0.00 C ATOM 219 CE3 TRP A 865 -17.960 -3.770 -14.190 1.00 0.00 C ATOM 220 CZ2 TRP A 865 -19.554 -3.191 -16.440 1.00 0.00 C ATOM 221 CZ3 TRP A 865 -18.855 -4.734 -14.686 1.00 0.00 C ATOM 222 CH2 TRP A 865 -19.643 -4.450 -15.813 1.00 0.00 C ATOM 0 H TRP A 865 -16.279 1.361 -13.577 1.00 0.00 H new ATOM 0 HA TRP A 865 -17.423 -0.789 -11.904 1.00 0.00 H new ATOM 0 HB2 TRP A 865 -15.089 -0.675 -13.858 1.00 0.00 H new ATOM 0 HB3 TRP A 865 -15.676 -2.123 -13.066 1.00 0.00 H new ATOM 0 HD1 TRP A 865 -16.824 0.508 -15.647 1.00 0.00 H new ATOM 0 HE1 TRP A 865 -18.772 -0.421 -17.051 1.00 0.00 H new ATOM 0 HE3 TRP A 865 -17.350 -4.006 -13.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 865 -20.153 -2.971 -17.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 865 -18.937 -5.695 -14.199 1.00 0.00 H new ATOM 0 HH2 TRP A 865 -20.319 -5.198 -16.200 1.00 0.00 H new ATOM 233 N VAL A 866 -15.342 -1.364 -10.506 1.00 0.00 N ATOM 234 CA VAL A 866 -14.280 -1.621 -9.529 1.00 0.00 C ATOM 235 C VAL A 866 -13.798 -3.065 -9.677 1.00 0.00 C ATOM 236 O VAL A 866 -14.580 -3.962 -10.006 1.00 0.00 O ATOM 237 CB VAL A 866 -14.751 -1.287 -8.102 1.00 0.00 C ATOM 238 CG1 VAL A 866 -15.885 -2.201 -7.639 1.00 0.00 C ATOM 239 CG2 VAL A 866 -13.624 -1.352 -7.070 1.00 0.00 C ATOM 0 H VAL A 866 -15.907 -2.194 -10.687 1.00 0.00 H new ATOM 0 HA VAL A 866 -13.431 -0.966 -9.723 1.00 0.00 H new ATOM 0 HB VAL A 866 -15.111 -0.260 -8.163 1.00 0.00 H new ATOM 0 HG11 VAL A 866 -16.183 -1.927 -6.627 1.00 0.00 H new ATOM 0 HG12 VAL A 866 -16.737 -2.092 -8.310 1.00 0.00 H new ATOM 0 HG13 VAL A 866 -15.545 -3.237 -7.649 1.00 0.00 H new ATOM 0 HG21 VAL A 866 -14.019 -1.107 -6.084 1.00 0.00 H new ATOM 0 HG22 VAL A 866 -13.204 -2.358 -7.053 1.00 0.00 H new ATOM 0 HG23 VAL A 866 -12.845 -0.638 -7.337 1.00 0.00 H new ATOM 249 N ARG A 867 -12.495 -3.281 -9.478 1.00 0.00 N ATOM 250 CA ARG A 867 -11.862 -4.608 -9.414 1.00 0.00 C ATOM 251 C ARG A 867 -11.924 -5.176 -7.990 1.00 0.00 C ATOM 252 O ARG A 867 -11.738 -4.420 -7.035 1.00 0.00 O ATOM 253 CB ARG A 867 -10.392 -4.467 -9.828 1.00 0.00 C ATOM 254 CG ARG A 867 -9.832 -5.656 -10.624 1.00 0.00 C ATOM 255 CD ARG A 867 -8.353 -5.455 -10.986 1.00 0.00 C ATOM 256 NE ARG A 867 -7.476 -5.625 -9.813 1.00 0.00 N ATOM 257 CZ ARG A 867 -7.197 -4.710 -8.902 1.00 0.00 C ATOM 258 NH1 ARG A 867 -7.449 -3.437 -9.037 1.00 0.00 N1+ ATOM 259 NH2 ARG A 867 -6.659 -5.079 -7.790 1.00 0.00 N ATOM 0 H ARG A 867 -11.829 -2.518 -9.353 1.00 0.00 H new ATOM 0 HA ARG A 867 -12.393 -5.286 -10.082 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -10.282 -3.563 -10.427 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -9.788 -4.331 -8.931 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -9.942 -6.569 -10.039 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -10.414 -5.790 -11.536 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -8.068 -6.168 -11.760 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -8.213 -4.458 -11.404 1.00 0.00 H new ATOM 0 HE ARG A 867 -7.042 -6.540 -9.693 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -7.890 -3.092 -9.890 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -7.205 -2.787 -8.290 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -6.455 -6.065 -7.624 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -6.437 -4.385 -7.076 1.00 0.00 H new ATOM 273 N CYS A 868 -12.041 -6.494 -7.835 1.00 0.00 N ATOM 274 CA CYS A 868 -11.675 -7.151 -6.587 1.00 0.00 C ATOM 275 C CYS A 868 -10.136 -7.145 -6.403 1.00 0.00 C ATOM 276 O CYS A 868 -9.389 -7.713 -7.204 1.00 0.00 O ATOM 277 CB CYS A 868 -12.307 -8.548 -6.541 1.00 0.00 C ATOM 278 SG CYS A 868 -11.827 -9.394 -4.991 1.00 0.00 S ATOM 0 H CYS A 868 -12.386 -7.125 -8.559 1.00 0.00 H new ATOM 0 HA CYS A 868 -12.072 -6.601 -5.734 1.00 0.00 H new ATOM 0 HB2 CYS A 868 -13.392 -8.468 -6.602 1.00 0.00 H new ATOM 0 HB3 CYS A 868 -11.982 -9.133 -7.401 1.00 0.00 H new ATOM 283 N ASP A 869 -9.671 -6.507 -5.328 1.00 0.00 N ATOM 284 CA ASP A 869 -8.281 -6.517 -4.865 1.00 0.00 C ATOM 285 C ASP A 869 -7.786 -7.875 -4.320 1.00 0.00 C ATOM 286 O ASP A 869 -6.599 -8.004 -4.013 1.00 0.00 O ATOM 287 CB ASP A 869 -8.102 -5.406 -3.818 1.00 0.00 C ATOM 288 CG ASP A 869 -8.169 -3.985 -4.420 1.00 0.00 C ATOM 289 OD1 ASP A 869 -7.511 -3.740 -5.464 1.00 0.00 O ATOM 290 OD2 ASP A 869 -8.837 -3.106 -3.826 1.00 0.00 O1- ATOM 0 H ASP A 869 -10.278 -5.945 -4.730 1.00 0.00 H new ATOM 0 HA ASP A 869 -7.657 -6.335 -5.740 1.00 0.00 H new ATOM 0 HB2 ASP A 869 -8.874 -5.507 -3.055 1.00 0.00 H new ATOM 0 HB3 ASP A 869 -7.142 -5.537 -3.319 1.00 0.00 H new ATOM 295 N ASP A 870 -8.651 -8.892 -4.219 1.00 0.00 N ATOM 296 CA ASP A 870 -8.264 -10.269 -3.867 1.00 0.00 C ATOM 297 C ASP A 870 -8.323 -11.232 -5.077 1.00 0.00 C ATOM 298 O ASP A 870 -7.516 -12.162 -5.171 1.00 0.00 O ATOM 299 CB ASP A 870 -9.129 -10.770 -2.697 1.00 0.00 C ATOM 300 CG ASP A 870 -8.609 -12.080 -2.066 1.00 0.00 C ATOM 301 OD1 ASP A 870 -7.376 -12.244 -1.892 1.00 0.00 O ATOM 302 OD2 ASP A 870 -9.439 -12.936 -1.676 1.00 0.00 O1- ATOM 0 H ASP A 870 -9.652 -8.783 -4.381 1.00 0.00 H new ATOM 0 HA ASP A 870 -7.221 -10.253 -3.552 1.00 0.00 H new ATOM 0 HB2 ASP A 870 -9.171 -9.997 -1.929 1.00 0.00 H new ATOM 0 HB3 ASP A 870 -10.149 -10.925 -3.049 1.00 0.00 H new ATOM 307 N CYS A 871 -9.219 -10.964 -6.039 1.00 0.00 N ATOM 308 CA CYS A 871 -9.292 -11.606 -7.348 1.00 0.00 C ATOM 309 C CYS A 871 -8.657 -10.688 -8.437 1.00 0.00 C ATOM 310 O CYS A 871 -7.450 -10.432 -8.455 1.00 0.00 O ATOM 311 CB CYS A 871 -10.772 -11.997 -7.656 1.00 0.00 C ATOM 312 SG CYS A 871 -11.567 -13.090 -6.446 1.00 0.00 S ATOM 0 H CYS A 871 -9.945 -10.259 -5.913 1.00 0.00 H new ATOM 0 HA CYS A 871 -8.711 -12.528 -7.349 1.00 0.00 H new ATOM 0 HB2 CYS A 871 -11.361 -11.083 -7.734 1.00 0.00 H new ATOM 0 HB3 CYS A 871 -10.805 -12.482 -8.632 1.00 0.00 H new ATOM 317 N PHE A 872 -9.525 -10.243 -9.346 1.00 0.00 N ATOM 318 CA PHE A 872 -9.362 -9.366 -10.514 1.00 0.00 C ATOM 319 C PHE A 872 -10.722 -9.163 -11.238 1.00 0.00 C ATOM 320 O PHE A 872 -10.859 -8.256 -12.056 1.00 0.00 O ATOM 321 CB PHE A 872 -8.267 -9.923 -11.438 1.00 0.00 C ATOM 322 CG PHE A 872 -8.244 -9.438 -12.879 1.00 0.00 C ATOM 323 CD1 PHE A 872 -9.024 -10.090 -13.854 1.00 0.00 C ATOM 324 CD2 PHE A 872 -7.417 -8.363 -13.257 1.00 0.00 C ATOM 325 CE1 PHE A 872 -8.986 -9.662 -15.194 1.00 0.00 C ATOM 326 CE2 PHE A 872 -7.377 -7.935 -14.597 1.00 0.00 C ATOM 327 CZ PHE A 872 -8.164 -8.584 -15.566 1.00 0.00 C ATOM 0 H PHE A 872 -10.501 -10.530 -9.270 1.00 0.00 H new ATOM 0 HA PHE A 872 -9.036 -8.378 -10.189 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -7.301 -9.691 -10.991 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -8.360 -11.009 -11.451 1.00 0.00 H new ATOM 0 HD1 PHE A 872 -9.653 -10.921 -13.572 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -6.811 -7.865 -12.515 1.00 0.00 H new ATOM 0 HE1 PHE A 872 -9.589 -10.162 -15.937 1.00 0.00 H new ATOM 0 HE2 PHE A 872 -6.742 -7.109 -14.881 1.00 0.00 H new ATOM 0 HZ PHE A 872 -8.137 -8.254 -16.594 1.00 0.00 H new ATOM 337 N LYS A 873 -11.747 -9.968 -10.895 1.00 0.00 N ATOM 338 CA LYS A 873 -13.175 -9.787 -11.228 1.00 0.00 C ATOM 339 C LYS A 873 -13.644 -8.331 -11.155 1.00 0.00 C ATOM 340 O LYS A 873 -13.206 -7.580 -10.282 1.00 0.00 O ATOM 341 CB LYS A 873 -14.019 -10.605 -10.251 1.00 0.00 C ATOM 342 CG LYS A 873 -15.394 -10.922 -10.853 1.00 0.00 C ATOM 343 CD LYS A 873 -15.976 -12.188 -10.235 1.00 0.00 C ATOM 344 CE LYS A 873 -16.509 -11.925 -8.820 1.00 0.00 C ATOM 345 NZ LYS A 873 -16.425 -13.133 -7.963 1.00 0.00 N1+ ATOM 0 H LYS A 873 -11.591 -10.813 -10.345 1.00 0.00 H new ATOM 0 HA LYS A 873 -13.297 -10.118 -12.259 1.00 0.00 H new ATOM 0 HB2 LYS A 873 -13.502 -11.533 -10.005 1.00 0.00 H new ATOM 0 HB3 LYS A 873 -14.143 -10.053 -9.320 1.00 0.00 H new ATOM 0 HG2 LYS A 873 -16.072 -10.085 -10.685 1.00 0.00 H new ATOM 0 HG3 LYS A 873 -15.304 -11.047 -11.932 1.00 0.00 H new ATOM 0 HD2 LYS A 873 -16.782 -12.565 -10.865 1.00 0.00 H new ATOM 0 HD3 LYS A 873 -15.210 -12.963 -10.199 1.00 0.00 H new ATOM 0 HE2 LYS A 873 -15.940 -11.115 -8.363 1.00 0.00 H new ATOM 0 HE3 LYS A 873 -17.546 -11.593 -8.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 873 -16.973 -12.980 -7.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 873 -16.812 -13.950 -8.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 873 -15.431 -13.317 -7.719 1.00 0.00 H new ATOM 359 N TRP A 874 -14.599 -7.975 -12.010 1.00 0.00 N ATOM 360 CA TRP A 874 -15.157 -6.625 -12.107 1.00 0.00 C ATOM 361 C TRP A 874 -16.611 -6.555 -11.623 1.00 0.00 C ATOM 362 O TRP A 874 -17.366 -7.519 -11.757 1.00 0.00 O ATOM 363 CB TRP A 874 -15.002 -6.125 -13.551 1.00 0.00 C ATOM 364 CG TRP A 874 -13.595 -6.187 -14.070 1.00 0.00 C ATOM 365 CD1 TRP A 874 -13.049 -7.189 -14.803 1.00 0.00 C ATOM 366 CD2 TRP A 874 -12.499 -5.273 -13.777 1.00 0.00 C ATOM 367 NE1 TRP A 874 -11.692 -6.963 -14.958 1.00 0.00 N ATOM 368 CE2 TRP A 874 -11.309 -5.792 -14.362 1.00 0.00 C ATOM 369 CE3 TRP A 874 -12.378 -4.074 -13.045 1.00 0.00 C ATOM 370 CZ2 TRP A 874 -10.066 -5.164 -14.259 1.00 0.00 C ATOM 371 CZ3 TRP A 874 -11.124 -3.450 -12.910 1.00 0.00 C ATOM 372 CH2 TRP A 874 -9.975 -3.961 -13.533 1.00 0.00 C ATOM 0 H TRP A 874 -15.017 -8.630 -12.670 1.00 0.00 H new ATOM 0 HA TRP A 874 -14.601 -5.967 -11.440 1.00 0.00 H new ATOM 0 HB2 TRP A 874 -15.645 -6.718 -14.201 1.00 0.00 H new ATOM 0 HB3 TRP A 874 -15.355 -5.095 -13.608 1.00 0.00 H new ATOM 0 HD1 TRP A 874 -13.590 -8.033 -15.204 1.00 0.00 H new ATOM 0 HE1 TRP A 874 -11.058 -7.590 -15.454 1.00 0.00 H new ATOM 0 HE3 TRP A 874 -13.251 -3.633 -12.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 874 -9.192 -5.592 -14.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 874 -11.044 -2.555 -12.311 1.00 0.00 H new ATOM 0 HH2 TRP A 874 -9.033 -3.438 -13.457 1.00 0.00 H new ATOM 383 N ARG A 875 -17.017 -5.395 -11.096 1.00 0.00 N ATOM 384 CA ARG A 875 -18.388 -5.086 -10.645 1.00 0.00 C ATOM 385 C ARG A 875 -18.726 -3.631 -10.954 1.00 0.00 C ATOM 386 O ARG A 875 -17.900 -2.755 -10.708 1.00 0.00 O ATOM 387 CB ARG A 875 -18.520 -5.332 -9.127 1.00 0.00 C ATOM 388 CG ARG A 875 -18.632 -6.808 -8.703 1.00 0.00 C ATOM 389 CD ARG A 875 -19.798 -7.572 -9.343 1.00 0.00 C ATOM 390 NE ARG A 875 -21.084 -6.844 -9.246 1.00 0.00 N ATOM 391 CZ ARG A 875 -22.135 -7.038 -10.022 1.00 0.00 C ATOM 392 NH1 ARG A 875 -22.189 -8.003 -10.886 1.00 0.00 N1+ ATOM 393 NH2 ARG A 875 -23.183 -6.285 -9.972 1.00 0.00 N ATOM 0 H ARG A 875 -16.378 -4.611 -10.965 1.00 0.00 H new ATOM 0 HA ARG A 875 -19.082 -5.739 -11.175 1.00 0.00 H new ATOM 0 HB2 ARG A 875 -17.655 -4.893 -8.629 1.00 0.00 H new ATOM 0 HB3 ARG A 875 -19.400 -4.800 -8.765 1.00 0.00 H new ATOM 0 HG2 ARG A 875 -17.701 -7.316 -8.955 1.00 0.00 H new ATOM 0 HG3 ARG A 875 -18.737 -6.854 -7.619 1.00 0.00 H new ATOM 0 HD2 ARG A 875 -19.571 -7.760 -10.392 1.00 0.00 H new ATOM 0 HD3 ARG A 875 -19.899 -8.544 -8.859 1.00 0.00 H new ATOM 0 HE ARG A 875 -21.165 -6.133 -8.519 1.00 0.00 H new ATOM 0 HH11 ARG A 875 -21.402 -8.645 -10.984 1.00 0.00 H new ATOM 0 HH12 ARG A 875 -23.018 -8.121 -11.468 1.00 0.00 H new ATOM 0 HH21 ARG A 875 -23.220 -5.506 -9.315 1.00 0.00 H new ATOM 0 HH22 ARG A 875 -23.974 -6.470 -10.589 1.00 0.00 H new ATOM 407 N ARG A 876 -19.930 -3.369 -11.473 1.00 0.00 N ATOM 408 CA ARG A 876 -20.469 -2.009 -11.650 1.00 0.00 C ATOM 409 C ARG A 876 -20.940 -1.458 -10.298 1.00 0.00 C ATOM 410 O ARG A 876 -21.685 -2.127 -9.581 1.00 0.00 O ATOM 411 CB ARG A 876 -21.605 -2.029 -12.694 1.00 0.00 C ATOM 412 CG ARG A 876 -22.229 -0.642 -12.946 1.00 0.00 C ATOM 413 CD ARG A 876 -21.334 0.283 -13.780 1.00 0.00 C ATOM 414 NE ARG A 876 -21.413 -0.093 -15.202 1.00 0.00 N ATOM 415 CZ ARG A 876 -21.799 0.674 -16.201 1.00 0.00 C ATOM 416 NH1 ARG A 876 -21.890 1.970 -16.119 1.00 0.00 N1+ ATOM 417 NH2 ARG A 876 -22.124 0.147 -17.342 1.00 0.00 N ATOM 0 H ARG A 876 -20.568 -4.101 -11.787 1.00 0.00 H new ATOM 0 HA ARG A 876 -19.689 -1.345 -12.024 1.00 0.00 H new ATOM 0 HB2 ARG A 876 -21.217 -2.421 -13.634 1.00 0.00 H new ATOM 0 HB3 ARG A 876 -22.384 -2.714 -12.360 1.00 0.00 H new ATOM 0 HG2 ARG A 876 -23.184 -0.768 -13.456 1.00 0.00 H new ATOM 0 HG3 ARG A 876 -22.439 -0.166 -11.988 1.00 0.00 H new ATOM 0 HD2 ARG A 876 -21.646 1.319 -13.651 1.00 0.00 H new ATOM 0 HD3 ARG A 876 -20.303 0.215 -13.433 1.00 0.00 H new ATOM 0 HE ARG A 876 -21.140 -1.047 -15.438 1.00 0.00 H new ATOM 0 HH11 ARG A 876 -21.656 2.443 -15.246 1.00 0.00 H new ATOM 0 HH12 ARG A 876 -22.195 2.512 -16.927 1.00 0.00 H new ATOM 0 HH21 ARG A 876 -22.081 -0.864 -17.467 1.00 0.00 H new ATOM 0 HH22 ARG A 876 -22.422 0.744 -18.113 1.00 0.00 H new ATOM 431 N ILE A 877 -20.530 -0.233 -9.981 1.00 0.00 N ATOM 432 CA ILE A 877 -20.836 0.499 -8.737 1.00 0.00 C ATOM 433 C ILE A 877 -21.218 1.965 -9.033 1.00 0.00 C ATOM 434 O ILE A 877 -20.820 2.508 -10.069 1.00 0.00 O ATOM 435 CB ILE A 877 -19.635 0.416 -7.758 1.00 0.00 C ATOM 436 CG1 ILE A 877 -18.425 1.219 -8.286 1.00 0.00 C ATOM 437 CG2 ILE A 877 -19.278 -1.051 -7.470 1.00 0.00 C ATOM 438 CD1 ILE A 877 -17.240 1.336 -7.324 1.00 0.00 C ATOM 0 H ILE A 877 -19.944 0.312 -10.613 1.00 0.00 H new ATOM 0 HA ILE A 877 -21.698 0.029 -8.263 1.00 0.00 H new ATOM 0 HB ILE A 877 -19.925 0.875 -6.813 1.00 0.00 H new ATOM 0 HG12 ILE A 877 -18.077 0.754 -9.208 1.00 0.00 H new ATOM 0 HG13 ILE A 877 -18.762 2.223 -8.543 1.00 0.00 H new ATOM 0 HG21 ILE A 877 -18.434 -1.092 -6.782 1.00 0.00 H new ATOM 0 HG22 ILE A 877 -20.136 -1.553 -7.022 1.00 0.00 H new ATOM 0 HG23 ILE A 877 -19.011 -1.550 -8.402 1.00 0.00 H new ATOM 0 HD11 ILE A 877 -16.447 1.918 -7.793 1.00 0.00 H new ATOM 0 HD12 ILE A 877 -17.562 1.833 -6.409 1.00 0.00 H new ATOM 0 HD13 ILE A 877 -16.866 0.341 -7.084 1.00 0.00 H new ATOM 450 N PRO A 878 -21.943 2.663 -8.141 1.00 0.00 N ATOM 451 CA PRO A 878 -22.165 4.097 -8.290 1.00 0.00 C ATOM 452 C PRO A 878 -20.891 4.911 -8.039 1.00 0.00 C ATOM 453 O PRO A 878 -20.085 4.586 -7.166 1.00 0.00 O ATOM 454 CB PRO A 878 -23.278 4.440 -7.296 1.00 0.00 C ATOM 455 CG PRO A 878 -23.077 3.407 -6.185 1.00 0.00 C ATOM 456 CD PRO A 878 -22.608 2.165 -6.944 1.00 0.00 C ATOM 0 HA PRO A 878 -22.451 4.351 -9.311 1.00 0.00 H new ATOM 0 HB2 PRO A 878 -23.185 5.459 -6.921 1.00 0.00 H new ATOM 0 HB3 PRO A 878 -24.265 4.357 -7.751 1.00 0.00 H new ATOM 0 HG2 PRO A 878 -22.336 3.738 -5.457 1.00 0.00 H new ATOM 0 HG3 PRO A 878 -24.001 3.220 -5.637 1.00 0.00 H new ATOM 0 HD2 PRO A 878 -21.927 1.569 -6.337 1.00 0.00 H new ATOM 0 HD3 PRO A 878 -23.450 1.523 -7.202 1.00 0.00 H new ATOM 464 N ALA A 879 -20.740 6.021 -8.765 1.00 0.00 N ATOM 465 CA ALA A 879 -19.609 6.954 -8.665 1.00 0.00 C ATOM 466 C ALA A 879 -19.375 7.530 -7.246 1.00 0.00 C ATOM 467 O ALA A 879 -18.260 7.936 -6.913 1.00 0.00 O ATOM 468 CB ALA A 879 -19.863 8.077 -9.676 1.00 0.00 C ATOM 0 H ALA A 879 -21.425 6.308 -9.464 1.00 0.00 H new ATOM 0 HA ALA A 879 -18.693 6.405 -8.885 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -19.044 8.795 -9.635 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.927 7.656 -10.679 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -20.799 8.580 -9.434 1.00 0.00 H new ATOM 474 N SER A 880 -20.381 7.490 -6.368 1.00 0.00 N ATOM 475 CA SER A 880 -20.247 7.806 -4.935 1.00 0.00 C ATOM 476 C SER A 880 -19.229 6.901 -4.220 1.00 0.00 C ATOM 477 O SER A 880 -18.611 7.317 -3.239 1.00 0.00 O ATOM 478 CB SER A 880 -21.608 7.662 -4.240 1.00 0.00 C ATOM 479 OG SER A 880 -22.598 8.432 -4.909 1.00 0.00 O ATOM 0 H SER A 880 -21.331 7.233 -6.634 1.00 0.00 H new ATOM 0 HA SER A 880 -19.885 8.832 -4.872 1.00 0.00 H new ATOM 0 HB2 SER A 880 -21.905 6.613 -4.225 1.00 0.00 H new ATOM 0 HB3 SER A 880 -21.528 7.986 -3.202 1.00 0.00 H new ATOM 0 HG SER A 880 -23.459 8.326 -4.452 1.00 0.00 H new ATOM 485 N VAL A 881 -19.026 5.676 -4.725 1.00 0.00 N ATOM 486 CA VAL A 881 -18.024 4.708 -4.244 1.00 0.00 C ATOM 487 C VAL A 881 -16.749 4.745 -5.077 1.00 0.00 C ATOM 488 O VAL A 881 -15.660 4.602 -4.528 1.00 0.00 O ATOM 489 CB VAL A 881 -18.629 3.285 -4.188 1.00 0.00 C ATOM 490 CG1 VAL A 881 -17.681 2.199 -3.676 1.00 0.00 C ATOM 491 CG2 VAL A 881 -19.863 3.253 -3.271 1.00 0.00 C ATOM 0 H VAL A 881 -19.573 5.317 -5.507 1.00 0.00 H new ATOM 0 HA VAL A 881 -17.741 4.997 -3.232 1.00 0.00 H new ATOM 0 HB VAL A 881 -18.871 3.065 -5.228 1.00 0.00 H new ATOM 0 HG11 VAL A 881 -18.196 1.238 -3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 881 -16.808 2.141 -4.327 1.00 0.00 H new ATOM 0 HG13 VAL A 881 -17.362 2.442 -2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 881 -20.272 2.243 -3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 881 -19.575 3.552 -2.263 1.00 0.00 H new ATOM 0 HG23 VAL A 881 -20.618 3.941 -3.652 1.00 0.00 H new ATOM 501 N VAL A 882 -16.835 5.028 -6.380 1.00 0.00 N ATOM 502 CA VAL A 882 -15.650 5.018 -7.263 1.00 0.00 C ATOM 503 C VAL A 882 -14.609 6.067 -6.854 1.00 0.00 C ATOM 504 O VAL A 882 -13.408 5.859 -7.023 1.00 0.00 O ATOM 505 CB VAL A 882 -16.022 5.189 -8.764 1.00 0.00 C ATOM 506 CG1 VAL A 882 -17.233 4.366 -9.221 1.00 0.00 C ATOM 507 CG2 VAL A 882 -16.089 6.636 -9.279 1.00 0.00 C ATOM 0 H VAL A 882 -17.707 5.267 -6.852 1.00 0.00 H new ATOM 0 HA VAL A 882 -15.204 4.031 -7.139 1.00 0.00 H new ATOM 0 HB VAL A 882 -15.149 4.756 -9.252 1.00 0.00 H new ATOM 0 HG11 VAL A 882 -17.418 4.548 -10.280 1.00 0.00 H new ATOM 0 HG12 VAL A 882 -17.032 3.306 -9.065 1.00 0.00 H new ATOM 0 HG13 VAL A 882 -18.110 4.658 -8.644 1.00 0.00 H new ATOM 0 HG21 VAL A 882 -16.356 6.634 -10.336 1.00 0.00 H new ATOM 0 HG22 VAL A 882 -16.841 7.188 -8.716 1.00 0.00 H new ATOM 0 HG23 VAL A 882 -15.117 7.113 -9.151 1.00 0.00 H new ATOM 517 N GLY A 883 -15.083 7.168 -6.266 1.00 0.00 N ATOM 518 CA GLY A 883 -14.262 8.249 -5.705 1.00 0.00 C ATOM 519 C GLY A 883 -13.728 7.973 -4.290 1.00 0.00 C ATOM 520 O GLY A 883 -12.804 8.650 -3.837 1.00 0.00 O ATOM 0 H GLY A 883 -16.083 7.339 -6.163 1.00 0.00 H new ATOM 0 HA2 GLY A 883 -13.417 8.430 -6.370 1.00 0.00 H new ATOM 0 HA3 GLY A 883 -14.853 9.165 -5.685 1.00 0.00 H new ATOM 524 N SER A 884 -14.296 6.982 -3.594 1.00 0.00 N ATOM 525 CA SER A 884 -13.892 6.544 -2.248 1.00 0.00 C ATOM 526 C SER A 884 -12.829 5.433 -2.278 1.00 0.00 C ATOM 527 O SER A 884 -11.955 5.382 -1.409 1.00 0.00 O ATOM 528 CB SER A 884 -15.142 6.079 -1.488 1.00 0.00 C ATOM 529 OG SER A 884 -14.839 5.763 -0.139 1.00 0.00 O ATOM 0 H SER A 884 -15.078 6.442 -3.964 1.00 0.00 H new ATOM 0 HA SER A 884 -13.430 7.390 -1.738 1.00 0.00 H new ATOM 0 HB2 SER A 884 -15.900 6.861 -1.519 1.00 0.00 H new ATOM 0 HB3 SER A 884 -15.566 5.205 -1.982 1.00 0.00 H new ATOM 0 HG SER A 884 -15.654 5.472 0.320 1.00 0.00 H new ATOM 535 N ILE A 885 -12.873 4.549 -3.285 1.00 0.00 N ATOM 536 CA ILE A 885 -11.952 3.408 -3.419 1.00 0.00 C ATOM 537 C ILE A 885 -10.575 3.874 -3.949 1.00 0.00 C ATOM 538 O ILE A 885 -10.424 4.303 -5.095 1.00 0.00 O ATOM 539 CB ILE A 885 -12.652 2.293 -4.240 1.00 0.00 C ATOM 540 CG1 ILE A 885 -13.493 1.334 -3.367 1.00 0.00 C ATOM 541 CG2 ILE A 885 -11.681 1.396 -5.004 1.00 0.00 C ATOM 542 CD1 ILE A 885 -14.521 2.012 -2.468 1.00 0.00 C ATOM 0 H ILE A 885 -13.557 4.606 -4.039 1.00 0.00 H new ATOM 0 HA ILE A 885 -11.720 2.965 -2.451 1.00 0.00 H new ATOM 0 HB ILE A 885 -13.281 2.859 -4.927 1.00 0.00 H new ATOM 0 HG12 ILE A 885 -14.011 0.633 -4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 885 -12.817 0.749 -2.743 1.00 0.00 H new ATOM 0 HG21 ILE A 885 -12.241 0.640 -5.555 1.00 0.00 H new ATOM 0 HG22 ILE A 885 -11.101 1.999 -5.703 1.00 0.00 H new ATOM 0 HG23 ILE A 885 -11.007 0.907 -4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 885 -15.059 1.256 -1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 885 -14.014 2.692 -1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 885 -15.226 2.574 -3.081 1.00 0.00 H new ATOM 554 N ASP A 886 -9.553 3.775 -3.095 1.00 0.00 N ATOM 555 CA ASP A 886 -8.167 4.245 -3.308 1.00 0.00 C ATOM 556 C ASP A 886 -7.272 3.241 -4.063 1.00 0.00 C ATOM 557 O ASP A 886 -7.634 2.080 -4.252 1.00 0.00 O ATOM 558 CB ASP A 886 -7.532 4.596 -1.946 1.00 0.00 C ATOM 559 CG ASP A 886 -8.196 5.780 -1.213 1.00 0.00 C ATOM 560 OD1 ASP A 886 -8.270 5.745 0.039 1.00 0.00 O ATOM 561 OD2 ASP A 886 -8.576 6.782 -1.869 1.00 0.00 O1- ATOM 0 H ASP A 886 -9.670 3.340 -2.180 1.00 0.00 H new ATOM 0 HA ASP A 886 -8.232 5.126 -3.946 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -7.575 3.717 -1.303 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -6.478 4.826 -2.100 1.00 0.00 H new ATOM 566 N GLU A 887 -6.084 3.662 -4.509 1.00 0.00 N ATOM 567 CA GLU A 887 -5.078 2.788 -5.153 1.00 0.00 C ATOM 568 C GLU A 887 -4.510 1.718 -4.198 1.00 0.00 C ATOM 569 O GLU A 887 -4.220 0.592 -4.613 1.00 0.00 O ATOM 570 CB GLU A 887 -3.925 3.642 -5.709 1.00 0.00 C ATOM 571 CG GLU A 887 -4.379 4.609 -6.815 1.00 0.00 C ATOM 572 CD GLU A 887 -3.194 5.318 -7.510 1.00 0.00 C ATOM 573 OE1 GLU A 887 -2.254 5.789 -6.822 1.00 0.00 O ATOM 574 OE2 GLU A 887 -3.203 5.433 -8.761 1.00 0.00 O1- ATOM 0 H GLU A 887 -5.782 4.634 -4.435 1.00 0.00 H new ATOM 0 HA GLU A 887 -5.588 2.262 -5.960 1.00 0.00 H new ATOM 0 HB2 GLU A 887 -3.477 4.212 -4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 887 -3.150 2.985 -6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 887 -4.955 4.059 -7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 887 -5.045 5.358 -6.386 1.00 0.00 H new ATOM 581 N SER A 888 -4.391 2.064 -2.913 1.00 0.00 N ATOM 582 CA SER A 888 -3.963 1.194 -1.804 1.00 0.00 C ATOM 583 C SER A 888 -5.137 0.521 -1.064 1.00 0.00 C ATOM 584 O SER A 888 -4.953 -0.017 0.032 1.00 0.00 O ATOM 585 CB SER A 888 -3.091 2.020 -0.846 1.00 0.00 C ATOM 586 OG SER A 888 -3.813 3.122 -0.307 1.00 0.00 O ATOM 0 H SER A 888 -4.602 3.011 -2.597 1.00 0.00 H new ATOM 0 HA SER A 888 -3.386 0.369 -2.222 1.00 0.00 H new ATOM 0 HB2 SER A 888 -2.736 1.384 -0.035 1.00 0.00 H new ATOM 0 HB3 SER A 888 -2.210 2.384 -1.375 1.00 0.00 H new ATOM 0 HG SER A 888 -3.233 3.628 0.300 1.00 0.00 H new ATOM 592 N SER A 889 -6.352 0.574 -1.626 1.00 0.00 N ATOM 593 CA SER A 889 -7.575 0.016 -1.027 1.00 0.00 C ATOM 594 C SER A 889 -7.605 -1.527 -1.008 1.00 0.00 C ATOM 595 O SER A 889 -6.682 -2.204 -1.477 1.00 0.00 O ATOM 596 CB SER A 889 -8.796 0.590 -1.759 1.00 0.00 C ATOM 597 OG SER A 889 -10.003 0.373 -1.042 1.00 0.00 O ATOM 0 H SER A 889 -6.517 1.016 -2.530 1.00 0.00 H new ATOM 0 HA SER A 889 -7.594 0.313 0.022 1.00 0.00 H new ATOM 0 HB2 SER A 889 -8.655 1.660 -1.914 1.00 0.00 H new ATOM 0 HB3 SER A 889 -8.874 0.133 -2.745 1.00 0.00 H new ATOM 0 HG SER A 889 -10.754 0.755 -1.542 1.00 0.00 H new ATOM 603 N ARG A 890 -8.685 -2.079 -0.443 1.00 0.00 N ATOM 604 CA ARG A 890 -9.009 -3.513 -0.378 1.00 0.00 C ATOM 605 C ARG A 890 -10.501 -3.766 -0.610 1.00 0.00 C ATOM 606 O ARG A 890 -11.176 -4.449 0.161 1.00 0.00 O ATOM 607 CB ARG A 890 -8.432 -4.152 0.897 1.00 0.00 C ATOM 608 CG ARG A 890 -8.884 -3.499 2.216 1.00 0.00 C ATOM 609 CD ARG A 890 -8.282 -4.238 3.416 1.00 0.00 C ATOM 610 NE ARG A 890 -8.698 -3.622 4.692 1.00 0.00 N ATOM 611 CZ ARG A 890 -8.349 -4.011 5.906 1.00 0.00 C ATOM 612 NH1 ARG A 890 -7.562 -5.031 6.108 1.00 0.00 N1+ ATOM 613 NH2 ARG A 890 -8.790 -3.377 6.954 1.00 0.00 N ATOM 0 H ARG A 890 -9.399 -1.506 0.008 1.00 0.00 H new ATOM 0 HA ARG A 890 -8.515 -4.026 -1.203 1.00 0.00 H new ATOM 0 HB2 ARG A 890 -8.712 -5.205 0.916 1.00 0.00 H new ATOM 0 HB3 ARG A 890 -7.344 -4.113 0.844 1.00 0.00 H new ATOM 0 HG2 ARG A 890 -8.577 -2.453 2.234 1.00 0.00 H new ATOM 0 HG3 ARG A 890 -9.972 -3.513 2.281 1.00 0.00 H new ATOM 0 HD2 ARG A 890 -8.594 -5.282 3.396 1.00 0.00 H new ATOM 0 HD3 ARG A 890 -7.194 -4.228 3.343 1.00 0.00 H new ATOM 0 HE ARG A 890 -9.318 -2.814 4.630 1.00 0.00 H new ATOM 0 HH11 ARG A 890 -7.195 -5.557 5.315 1.00 0.00 H new ATOM 0 HH12 ARG A 890 -7.314 -5.303 7.059 1.00 0.00 H new ATOM 0 HH21 ARG A 890 -9.409 -2.574 6.841 1.00 0.00 H new ATOM 0 HH22 ARG A 890 -8.516 -3.683 7.888 1.00 0.00 H new ATOM 627 N TRP A 891 -11.020 -3.183 -1.688 1.00 0.00 N ATOM 628 CA TRP A 891 -12.371 -3.471 -2.180 1.00 0.00 C ATOM 629 C TRP A 891 -12.391 -4.881 -2.779 1.00 0.00 C ATOM 630 O TRP A 891 -11.562 -5.194 -3.636 1.00 0.00 O ATOM 631 CB TRP A 891 -12.830 -2.434 -3.207 1.00 0.00 C ATOM 632 CG TRP A 891 -14.291 -2.499 -3.545 1.00 0.00 C ATOM 633 CD1 TRP A 891 -15.224 -1.662 -3.041 1.00 0.00 C ATOM 634 CD2 TRP A 891 -15.029 -3.456 -4.373 1.00 0.00 C ATOM 635 NE1 TRP A 891 -16.466 -1.976 -3.546 1.00 0.00 N ATOM 636 CE2 TRP A 891 -16.418 -3.115 -4.321 1.00 0.00 C ATOM 637 CE3 TRP A 891 -14.682 -4.596 -5.134 1.00 0.00 C ATOM 638 CZ2 TRP A 891 -17.405 -3.881 -4.952 1.00 0.00 C ATOM 639 CZ3 TRP A 891 -15.668 -5.383 -5.761 1.00 0.00 C ATOM 640 CH2 TRP A 891 -17.023 -5.030 -5.661 1.00 0.00 C ATOM 0 H TRP A 891 -10.517 -2.495 -2.249 1.00 0.00 H new ATOM 0 HA TRP A 891 -13.070 -3.418 -1.345 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -12.602 -1.438 -2.827 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -12.252 -2.566 -4.122 1.00 0.00 H new ATOM 0 HD1 TRP A 891 -15.025 -0.862 -2.343 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -17.313 -1.435 -3.369 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -13.642 -4.868 -5.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -18.444 -3.592 -4.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -15.380 -6.261 -6.320 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -17.775 -5.646 -6.132 1.00 0.00 H new ATOM 651 N ILE A 892 -13.312 -5.738 -2.339 1.00 0.00 N ATOM 652 CA ILE A 892 -13.400 -7.141 -2.781 1.00 0.00 C ATOM 653 C ILE A 892 -14.849 -7.611 -2.956 1.00 0.00 C ATOM 654 O ILE A 892 -15.769 -7.004 -2.396 1.00 0.00 O ATOM 655 CB ILE A 892 -12.634 -8.070 -1.808 1.00 0.00 C ATOM 656 CG1 ILE A 892 -13.281 -8.091 -0.410 1.00 0.00 C ATOM 657 CG2 ILE A 892 -11.136 -7.719 -1.719 1.00 0.00 C ATOM 658 CD1 ILE A 892 -12.933 -9.351 0.380 1.00 0.00 C ATOM 0 H ILE A 892 -14.028 -5.481 -1.659 1.00 0.00 H new ATOM 0 HA ILE A 892 -12.929 -7.196 -3.763 1.00 0.00 H new ATOM 0 HB ILE A 892 -12.705 -9.075 -2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 892 -12.956 -7.214 0.150 1.00 0.00 H new ATOM 0 HG13 ILE A 892 -14.364 -8.019 -0.514 1.00 0.00 H new ATOM 0 HG21 ILE A 892 -10.644 -8.399 -1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 892 -10.681 -7.815 -2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 892 -11.023 -6.694 -1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 892 -13.415 -9.313 1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 892 -13.282 -10.229 -0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 892 -11.853 -9.412 0.511 1.00 0.00 H new ATOM 670 N CYS A 893 -15.053 -8.738 -3.647 1.00 0.00 N ATOM 671 CA CYS A 893 -16.360 -9.363 -3.820 1.00 0.00 C ATOM 672 C CYS A 893 -17.166 -9.466 -2.500 1.00 0.00 C ATOM 673 O CYS A 893 -18.348 -9.142 -2.493 1.00 0.00 O ATOM 674 CB CYS A 893 -16.213 -10.746 -4.477 1.00 0.00 C ATOM 675 SG CYS A 893 -15.145 -10.811 -5.956 1.00 0.00 S ATOM 0 H CYS A 893 -14.299 -9.247 -4.108 1.00 0.00 H new ATOM 0 HA CYS A 893 -16.932 -8.711 -4.479 1.00 0.00 H new ATOM 0 HB2 CYS A 893 -15.818 -11.440 -3.735 1.00 0.00 H new ATOM 0 HB3 CYS A 893 -17.205 -11.104 -4.752 1.00 0.00 H new ATOM 680 N MET A 894 -16.561 -9.885 -1.378 1.00 0.00 N ATOM 681 CA MET A 894 -17.287 -10.075 -0.105 1.00 0.00 C ATOM 682 C MET A 894 -18.008 -8.797 0.376 1.00 0.00 C ATOM 683 O MET A 894 -19.091 -8.861 0.959 1.00 0.00 O ATOM 684 CB MET A 894 -16.286 -10.594 0.940 1.00 0.00 C ATOM 685 CG MET A 894 -16.870 -10.949 2.315 1.00 0.00 C ATOM 686 SD MET A 894 -17.157 -9.581 3.483 1.00 0.00 S ATOM 687 CE MET A 894 -15.462 -9.019 3.807 1.00 0.00 C ATOM 0 H MET A 894 -15.566 -10.101 -1.323 1.00 0.00 H new ATOM 0 HA MET A 894 -18.083 -10.804 -0.258 1.00 0.00 H new ATOM 0 HB2 MET A 894 -15.796 -11.480 0.536 1.00 0.00 H new ATOM 0 HB3 MET A 894 -15.513 -9.838 1.080 1.00 0.00 H new ATOM 0 HG2 MET A 894 -17.819 -11.461 2.156 1.00 0.00 H new ATOM 0 HG3 MET A 894 -16.199 -11.664 2.792 1.00 0.00 H new ATOM 0 HE1 MET A 894 -15.459 -8.350 4.668 1.00 0.00 H new ATOM 0 HE2 MET A 894 -14.827 -9.880 4.014 1.00 0.00 H new ATOM 0 HE3 MET A 894 -15.081 -8.489 2.934 1.00 0.00 H new ATOM 697 N ASN A 895 -17.432 -7.628 0.071 1.00 0.00 N ATOM 698 CA ASN A 895 -17.949 -6.302 0.430 1.00 0.00 C ATOM 699 C ASN A 895 -18.963 -5.732 -0.592 1.00 0.00 C ATOM 700 O ASN A 895 -19.596 -4.707 -0.326 1.00 0.00 O ATOM 701 CB ASN A 895 -16.729 -5.386 0.687 1.00 0.00 C ATOM 702 CG ASN A 895 -16.603 -4.184 -0.237 1.00 0.00 C ATOM 703 OD1 ASN A 895 -16.726 -3.037 0.164 1.00 0.00 O ATOM 704 ND2 ASN A 895 -16.348 -4.412 -1.503 1.00 0.00 N ATOM 0 H ASN A 895 -16.559 -7.578 -0.453 1.00 0.00 H new ATOM 0 HA ASN A 895 -18.547 -6.372 1.339 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -16.777 -5.028 1.715 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -15.823 -5.985 0.600 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -16.252 -3.631 -2.153 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -16.245 -5.370 -1.838 1.00 0.00 H new ATOM 711 N ASN A 896 -19.089 -6.367 -1.762 1.00 0.00 N ATOM 712 CA ASN A 896 -19.871 -5.891 -2.910 1.00 0.00 C ATOM 713 C ASN A 896 -21.330 -5.546 -2.558 1.00 0.00 C ATOM 714 O ASN A 896 -22.014 -6.280 -1.842 1.00 0.00 O ATOM 715 CB ASN A 896 -19.821 -6.942 -4.036 1.00 0.00 C ATOM 716 CG ASN A 896 -20.595 -6.549 -5.284 1.00 0.00 C ATOM 717 OD1 ASN A 896 -20.461 -5.457 -5.812 1.00 0.00 O ATOM 718 ND2 ASN A 896 -21.454 -7.404 -5.789 1.00 0.00 N ATOM 0 H ASN A 896 -18.632 -7.261 -1.943 1.00 0.00 H new ATOM 0 HA ASN A 896 -19.415 -4.959 -3.243 1.00 0.00 H new ATOM 0 HB2 ASN A 896 -18.780 -7.119 -4.307 1.00 0.00 H new ATOM 0 HB3 ASN A 896 -20.217 -7.884 -3.657 1.00 0.00 H new ATOM 0 HD21 ASN A 896 -22.000 -7.152 -6.613 1.00 0.00 H new ATOM 0 HD22 ASN A 896 -21.576 -8.320 -5.357 1.00 0.00 H new ATOM 725 N SER A 897 -21.808 -4.447 -3.142 1.00 0.00 N ATOM 726 CA SER A 897 -23.185 -3.945 -3.025 1.00 0.00 C ATOM 727 C SER A 897 -24.267 -4.981 -3.356 1.00 0.00 C ATOM 728 O SER A 897 -25.253 -5.121 -2.631 1.00 0.00 O ATOM 729 CB SER A 897 -23.350 -2.774 -3.998 1.00 0.00 C ATOM 730 OG SER A 897 -22.531 -1.677 -3.619 1.00 0.00 O ATOM 0 H SER A 897 -21.226 -3.855 -3.735 1.00 0.00 H new ATOM 0 HA SER A 897 -23.323 -3.662 -1.981 1.00 0.00 H new ATOM 0 HB2 SER A 897 -23.090 -3.095 -5.007 1.00 0.00 H new ATOM 0 HB3 SER A 897 -24.394 -2.461 -4.023 1.00 0.00 H new ATOM 0 HG SER A 897 -22.653 -0.943 -4.256 1.00 0.00 H new ATOM 736 N ASP A 898 -24.086 -5.702 -4.462 1.00 0.00 N ATOM 737 CA ASP A 898 -25.041 -6.688 -4.985 1.00 0.00 C ATOM 738 C ASP A 898 -24.776 -8.089 -4.424 1.00 0.00 C ATOM 739 O ASP A 898 -23.859 -8.794 -4.852 1.00 0.00 O ATOM 740 CB ASP A 898 -25.040 -6.693 -6.522 1.00 0.00 C ATOM 741 CG ASP A 898 -25.025 -5.279 -7.126 1.00 0.00 C ATOM 742 OD1 ASP A 898 -26.064 -4.581 -7.067 1.00 0.00 O ATOM 743 OD2 ASP A 898 -23.966 -4.880 -7.664 1.00 0.00 O1- ATOM 0 H ASP A 898 -23.248 -5.616 -5.038 1.00 0.00 H new ATOM 0 HA ASP A 898 -26.035 -6.391 -4.650 1.00 0.00 H new ATOM 0 HB2 ASP A 898 -24.169 -7.244 -6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 898 -25.922 -7.226 -6.879 1.00 0.00 H new ATOM 748 N LYS A 899 -25.632 -8.524 -3.496 1.00 0.00 N ATOM 749 CA LYS A 899 -25.540 -9.808 -2.775 1.00 0.00 C ATOM 750 C LYS A 899 -25.542 -11.033 -3.700 1.00 0.00 C ATOM 751 O LYS A 899 -24.989 -12.075 -3.346 1.00 0.00 O ATOM 752 CB LYS A 899 -26.685 -9.899 -1.747 1.00 0.00 C ATOM 753 CG LYS A 899 -26.641 -8.803 -0.667 1.00 0.00 C ATOM 754 CD LYS A 899 -25.706 -9.189 0.483 1.00 0.00 C ATOM 755 CE LYS A 899 -26.373 -10.219 1.405 1.00 0.00 C ATOM 756 NZ LYS A 899 -25.479 -10.614 2.525 1.00 0.00 N1+ ATOM 0 H LYS A 899 -26.442 -7.974 -3.211 1.00 0.00 H new ATOM 0 HA LYS A 899 -24.575 -9.824 -2.267 1.00 0.00 H new ATOM 0 HB2 LYS A 899 -27.638 -9.839 -2.273 1.00 0.00 H new ATOM 0 HB3 LYS A 899 -26.649 -10.875 -1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 899 -26.306 -7.866 -1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 899 -27.645 -8.631 -0.280 1.00 0.00 H new ATOM 0 HD2 LYS A 899 -24.779 -9.599 0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 899 -25.440 -8.300 1.055 1.00 0.00 H new ATOM 0 HE2 LYS A 899 -27.297 -9.804 1.806 1.00 0.00 H new ATOM 0 HE3 LYS A 899 -26.645 -11.102 0.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 899 -25.963 -11.311 3.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 899 -24.608 -11.033 2.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 899 -25.240 -9.775 3.091 1.00 0.00 H new ATOM 770 N ARG A 900 -26.089 -10.885 -4.915 1.00 0.00 N ATOM 771 CA ARG A 900 -26.059 -11.886 -6.003 1.00 0.00 C ATOM 772 C ARG A 900 -24.653 -12.161 -6.557 1.00 0.00 C ATOM 773 O ARG A 900 -24.415 -13.238 -7.098 1.00 0.00 O ATOM 774 CB ARG A 900 -26.978 -11.402 -7.139 1.00 0.00 C ATOM 775 CG ARG A 900 -28.483 -11.431 -6.815 1.00 0.00 C ATOM 776 CD ARG A 900 -29.028 -12.846 -6.583 1.00 0.00 C ATOM 777 NE ARG A 900 -30.491 -12.829 -6.381 1.00 0.00 N ATOM 778 CZ ARG A 900 -31.273 -13.875 -6.179 1.00 0.00 C ATOM 779 NH1 ARG A 900 -30.807 -15.092 -6.134 1.00 0.00 N1+ ATOM 780 NH2 ARG A 900 -32.556 -13.717 -6.015 1.00 0.00 N ATOM 0 H ARG A 900 -26.584 -10.034 -5.182 1.00 0.00 H new ATOM 0 HA ARG A 900 -26.405 -12.830 -5.581 1.00 0.00 H new ATOM 0 HB2 ARG A 900 -26.698 -10.382 -7.403 1.00 0.00 H new ATOM 0 HB3 ARG A 900 -26.799 -12.020 -8.019 1.00 0.00 H new ATOM 0 HG2 ARG A 900 -28.668 -10.828 -5.926 1.00 0.00 H new ATOM 0 HG3 ARG A 900 -29.033 -10.967 -7.634 1.00 0.00 H new ATOM 0 HD2 ARG A 900 -28.784 -13.477 -7.437 1.00 0.00 H new ATOM 0 HD3 ARG A 900 -28.543 -13.287 -5.712 1.00 0.00 H new ATOM 0 HE ARG A 900 -30.945 -11.916 -6.399 1.00 0.00 H new ATOM 0 HH11 ARG A 900 -29.809 -15.261 -6.257 1.00 0.00 H new ATOM 0 HH12 ARG A 900 -31.441 -15.875 -5.976 1.00 0.00 H new ATOM 0 HH21 ARG A 900 -32.962 -12.782 -6.042 1.00 0.00 H new ATOM 0 HH22 ARG A 900 -33.154 -14.529 -5.860 1.00 0.00 H new ATOM 794 N PHE A 901 -23.728 -11.212 -6.406 1.00 0.00 N ATOM 795 CA PHE A 901 -22.344 -11.273 -6.912 1.00 0.00 C ATOM 796 C PHE A 901 -21.271 -11.038 -5.831 1.00 0.00 C ATOM 797 O PHE A 901 -20.085 -10.906 -6.129 1.00 0.00 O ATOM 798 CB PHE A 901 -22.180 -10.311 -8.108 1.00 0.00 C ATOM 799 CG PHE A 901 -23.206 -10.432 -9.227 1.00 0.00 C ATOM 800 CD1 PHE A 901 -24.472 -9.828 -9.094 1.00 0.00 C ATOM 801 CD2 PHE A 901 -22.875 -11.069 -10.440 1.00 0.00 C ATOM 802 CE1 PHE A 901 -25.417 -9.920 -10.132 1.00 0.00 C ATOM 803 CE2 PHE A 901 -23.815 -11.155 -11.482 1.00 0.00 C ATOM 804 CZ PHE A 901 -25.091 -10.591 -11.323 1.00 0.00 C ATOM 0 H PHE A 901 -23.924 -10.343 -5.909 1.00 0.00 H new ATOM 0 HA PHE A 901 -22.174 -12.295 -7.249 1.00 0.00 H new ATOM 0 HB2 PHE A 901 -22.208 -9.289 -7.729 1.00 0.00 H new ATOM 0 HB3 PHE A 901 -21.190 -10.465 -8.536 1.00 0.00 H new ATOM 0 HD1 PHE A 901 -24.718 -9.291 -8.190 1.00 0.00 H new ATOM 0 HD2 PHE A 901 -21.891 -11.495 -10.570 1.00 0.00 H new ATOM 0 HE1 PHE A 901 -26.394 -9.475 -10.014 1.00 0.00 H new ATOM 0 HE2 PHE A 901 -23.556 -11.654 -12.404 1.00 0.00 H new ATOM 0 HZ PHE A 901 -25.821 -10.673 -12.115 1.00 0.00 H new ATOM 814 N ALA A 902 -21.683 -10.991 -4.565 1.00 0.00 N ATOM 815 CA ALA A 902 -20.876 -10.611 -3.407 1.00 0.00 C ATOM 816 C ALA A 902 -20.124 -11.778 -2.740 1.00 0.00 C ATOM 817 O ALA A 902 -20.086 -11.914 -1.516 1.00 0.00 O ATOM 818 CB ALA A 902 -21.740 -9.800 -2.428 1.00 0.00 C ATOM 0 H ALA A 902 -22.640 -11.230 -4.306 1.00 0.00 H new ATOM 0 HA ALA A 902 -20.066 -9.977 -3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -21.140 -9.515 -1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -22.109 -8.903 -2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -22.585 -10.406 -2.100 1.00 0.00 H new ATOM 824 N ASP A 903 -19.500 -12.618 -3.561 1.00 0.00 N ATOM 825 CA ASP A 903 -18.451 -13.547 -3.129 1.00 0.00 C ATOM 826 C ASP A 903 -17.403 -13.762 -4.216 1.00 0.00 C ATOM 827 O ASP A 903 -17.691 -13.722 -5.415 1.00 0.00 O ATOM 828 CB ASP A 903 -19.034 -14.883 -2.613 1.00 0.00 C ATOM 829 CG ASP A 903 -19.034 -15.025 -1.076 1.00 0.00 C ATOM 830 OD1 ASP A 903 -19.996 -15.617 -0.528 1.00 0.00 O ATOM 831 OD2 ASP A 903 -18.045 -14.628 -0.413 1.00 0.00 O1- ATOM 0 H ASP A 903 -19.709 -12.676 -4.558 1.00 0.00 H new ATOM 0 HA ASP A 903 -17.943 -13.081 -2.285 1.00 0.00 H new ATOM 0 HB2 ASP A 903 -20.057 -14.983 -2.975 1.00 0.00 H new ATOM 0 HB3 ASP A 903 -18.462 -15.705 -3.042 1.00 0.00 H new ATOM 836 N CYS A 904 -16.181 -14.060 -3.778 1.00 0.00 N ATOM 837 CA CYS A 904 -15.056 -14.419 -4.628 1.00 0.00 C ATOM 838 C CYS A 904 -15.335 -15.694 -5.476 1.00 0.00 C ATOM 839 O CYS A 904 -14.599 -15.986 -6.421 1.00 0.00 O ATOM 840 CB CYS A 904 -13.835 -14.519 -3.696 1.00 0.00 C ATOM 841 SG CYS A 904 -13.397 -12.866 -3.022 1.00 0.00 S ATOM 0 H CYS A 904 -15.943 -14.057 -2.786 1.00 0.00 H new ATOM 0 HA CYS A 904 -14.867 -13.664 -5.392 1.00 0.00 H new ATOM 0 HB2 CYS A 904 -14.051 -15.206 -2.877 1.00 0.00 H new ATOM 0 HB3 CYS A 904 -12.987 -14.931 -4.242 1.00 0.00 H new ATOM 846 N SER A 905 -16.420 -16.414 -5.163 1.00 0.00 N ATOM 847 CA SER A 905 -16.895 -17.592 -5.899 1.00 0.00 C ATOM 848 C SER A 905 -17.946 -17.252 -6.968 1.00 0.00 C ATOM 849 O SER A 905 -18.202 -18.067 -7.857 1.00 0.00 O ATOM 850 CB SER A 905 -17.493 -18.618 -4.929 1.00 0.00 C ATOM 851 OG SER A 905 -16.548 -18.992 -3.937 1.00 0.00 O ATOM 0 H SER A 905 -17.011 -16.185 -4.364 1.00 0.00 H new ATOM 0 HA SER A 905 -16.024 -18.004 -6.408 1.00 0.00 H new ATOM 0 HB2 SER A 905 -18.379 -18.199 -4.452 1.00 0.00 H new ATOM 0 HB3 SER A 905 -17.815 -19.501 -5.481 1.00 0.00 H new ATOM 0 HG SER A 905 -16.953 -19.646 -3.329 1.00 0.00 H new ATOM 857 N LYS A 906 -18.583 -16.070 -6.880 1.00 0.00 N ATOM 858 CA LYS A 906 -19.643 -15.623 -7.806 1.00 0.00 C ATOM 859 C LYS A 906 -19.113 -15.113 -9.154 1.00 0.00 C ATOM 860 O LYS A 906 -17.903 -15.056 -9.382 1.00 0.00 O ATOM 861 CB LYS A 906 -20.486 -14.538 -7.119 1.00 0.00 C ATOM 862 CG LYS A 906 -21.236 -14.939 -5.851 1.00 0.00 C ATOM 863 CD LYS A 906 -22.039 -16.237 -5.968 1.00 0.00 C ATOM 864 CE LYS A 906 -23.118 -16.209 -7.058 1.00 0.00 C ATOM 865 NZ LYS A 906 -23.922 -17.460 -7.065 1.00 0.00 N1+ ATOM 0 H LYS A 906 -18.373 -15.387 -6.152 1.00 0.00 H new ATOM 0 HA LYS A 906 -20.253 -16.496 -8.039 1.00 0.00 H new ATOM 0 HB2 LYS A 906 -19.829 -13.704 -6.874 1.00 0.00 H new ATOM 0 HB3 LYS A 906 -21.215 -14.168 -7.840 1.00 0.00 H new ATOM 0 HG2 LYS A 906 -20.518 -15.044 -5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 906 -21.914 -14.131 -5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 906 -21.353 -17.059 -6.172 1.00 0.00 H new ATOM 0 HD3 LYS A 906 -22.512 -16.447 -5.009 1.00 0.00 H new ATOM 0 HE2 LYS A 906 -23.775 -15.354 -6.898 1.00 0.00 H new ATOM 0 HE3 LYS A 906 -22.648 -16.072 -8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 906 -24.641 -17.406 -7.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 906 -23.298 -18.273 -7.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 906 -24.390 -17.577 -6.144 1.00 0.00 H new ATOM 879 N SER A 907 -20.034 -14.711 -10.032 1.00 0.00 N ATOM 880 CA SER A 907 -19.763 -14.217 -11.391 1.00 0.00 C ATOM 881 C SER A 907 -19.682 -12.674 -11.457 1.00 0.00 C ATOM 882 O SER A 907 -19.430 -12.012 -10.448 1.00 0.00 O ATOM 883 CB SER A 907 -20.814 -14.826 -12.335 1.00 0.00 C ATOM 884 OG SER A 907 -20.447 -14.670 -13.697 1.00 0.00 O ATOM 0 H SER A 907 -21.030 -14.720 -9.811 1.00 0.00 H new ATOM 0 HA SER A 907 -18.774 -14.540 -11.716 1.00 0.00 H new ATOM 0 HB2 SER A 907 -20.936 -15.885 -12.110 1.00 0.00 H new ATOM 0 HB3 SER A 907 -21.779 -14.350 -12.161 1.00 0.00 H new ATOM 0 HG SER A 907 -21.135 -15.069 -14.269 1.00 0.00 H new ATOM 890 N GLN A 908 -19.900 -12.094 -12.639 1.00 0.00 N ATOM 891 CA GLN A 908 -19.906 -10.656 -12.951 1.00 0.00 C ATOM 892 C GLN A 908 -20.946 -10.332 -14.051 1.00 0.00 C ATOM 893 O GLN A 908 -21.440 -11.238 -14.722 1.00 0.00 O ATOM 894 CB GLN A 908 -18.481 -10.226 -13.350 1.00 0.00 C ATOM 895 CG GLN A 908 -18.002 -10.833 -14.678 1.00 0.00 C ATOM 896 CD GLN A 908 -16.477 -10.932 -14.774 1.00 0.00 C ATOM 897 OE1 GLN A 908 -15.863 -11.870 -14.288 1.00 0.00 O ATOM 898 NE2 GLN A 908 -15.797 -9.994 -15.403 1.00 0.00 N ATOM 0 H GLN A 908 -20.092 -12.656 -13.468 1.00 0.00 H new ATOM 0 HA GLN A 908 -20.205 -10.088 -12.070 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -18.446 -9.139 -13.424 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -17.789 -10.514 -12.559 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -18.433 -11.827 -14.793 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -18.374 -10.226 -15.504 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -16.286 -9.201 -15.817 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -14.782 -10.062 -15.475 1.00 0.00 H new ATOM 907 N GLU A 909 -21.281 -9.050 -14.272 1.00 0.00 N ATOM 908 CA GLU A 909 -22.242 -8.657 -15.328 1.00 0.00 C ATOM 909 C GLU A 909 -21.724 -8.927 -16.757 1.00 0.00 C ATOM 910 O GLU A 909 -22.516 -9.187 -17.666 1.00 0.00 O ATOM 911 CB GLU A 909 -22.560 -7.152 -15.250 1.00 0.00 C ATOM 912 CG GLU A 909 -23.132 -6.605 -13.937 1.00 0.00 C ATOM 913 CD GLU A 909 -24.434 -7.279 -13.459 1.00 0.00 C ATOM 914 OE1 GLU A 909 -25.268 -7.714 -14.290 1.00 0.00 O ATOM 915 OE2 GLU A 909 -24.628 -7.342 -12.221 1.00 0.00 O1- ATOM 0 H GLU A 909 -20.904 -8.267 -13.738 1.00 0.00 H new ATOM 0 HA GLU A 909 -23.126 -9.267 -15.144 1.00 0.00 H new ATOM 0 HB2 GLU A 909 -21.643 -6.605 -15.468 1.00 0.00 H new ATOM 0 HB3 GLU A 909 -23.267 -6.918 -16.046 1.00 0.00 H new ATOM 0 HG2 GLU A 909 -22.378 -6.713 -13.157 1.00 0.00 H new ATOM 0 HG3 GLU A 909 -23.317 -5.537 -14.056 1.00 0.00 H new ATOM 922 N MET A 910 -20.403 -8.838 -16.962 1.00 0.00 N ATOM 923 CA MET A 910 -19.727 -8.895 -18.269 1.00 0.00 C ATOM 924 C MET A 910 -18.297 -9.410 -18.097 1.00 0.00 C ATOM 925 O MET A 910 -17.561 -8.879 -17.260 1.00 0.00 O ATOM 926 CB MET A 910 -19.626 -7.501 -18.907 1.00 0.00 C ATOM 927 CG MET A 910 -20.952 -6.808 -19.225 1.00 0.00 C ATOM 928 SD MET A 910 -20.725 -5.176 -19.987 1.00 0.00 S ATOM 929 CE MET A 910 -22.459 -4.668 -20.130 1.00 0.00 C ATOM 0 H MET A 910 -19.747 -8.719 -16.190 1.00 0.00 H new ATOM 0 HA MET A 910 -20.315 -9.557 -18.904 1.00 0.00 H new ATOM 0 HB2 MET A 910 -19.055 -6.858 -18.237 1.00 0.00 H new ATOM 0 HB3 MET A 910 -19.054 -7.587 -19.831 1.00 0.00 H new ATOM 0 HG2 MET A 910 -21.536 -7.439 -19.895 1.00 0.00 H new ATOM 0 HG3 MET A 910 -21.529 -6.699 -18.307 1.00 0.00 H new ATOM 0 HE1 MET A 910 -22.512 -3.678 -20.582 1.00 0.00 H new ATOM 0 HE2 MET A 910 -22.997 -5.381 -20.754 1.00 0.00 H new ATOM 0 HE3 MET A 910 -22.913 -4.639 -19.139 1.00 0.00 H new ATOM 939 N SER A 911 -17.881 -10.404 -18.881 1.00 0.00 N ATOM 940 CA SER A 911 -16.528 -10.994 -18.790 1.00 0.00 C ATOM 941 C SER A 911 -15.454 -9.958 -19.127 1.00 0.00 C ATOM 942 O SER A 911 -15.742 -8.951 -19.767 1.00 0.00 O ATOM 943 CB SER A 911 -16.352 -12.199 -19.720 1.00 0.00 C ATOM 944 OG SER A 911 -17.464 -13.084 -19.671 1.00 0.00 O ATOM 0 H SER A 911 -18.466 -10.829 -19.600 1.00 0.00 H new ATOM 0 HA SER A 911 -16.414 -11.330 -17.759 1.00 0.00 H new ATOM 0 HB2 SER A 911 -16.214 -11.849 -20.743 1.00 0.00 H new ATOM 0 HB3 SER A 911 -15.447 -12.740 -19.443 1.00 0.00 H new ATOM 0 HG SER A 911 -17.310 -13.836 -20.280 1.00 0.00 H new ATOM 950 N ASN A 912 -14.196 -10.188 -18.745 1.00 0.00 N ATOM 951 CA ASN A 912 -13.140 -9.177 -18.929 1.00 0.00 C ATOM 952 C ASN A 912 -12.895 -8.836 -20.417 1.00 0.00 C ATOM 953 O ASN A 912 -12.602 -7.686 -20.725 1.00 0.00 O ATOM 954 CB ASN A 912 -11.857 -9.618 -18.193 1.00 0.00 C ATOM 955 CG ASN A 912 -10.663 -8.739 -18.527 1.00 0.00 C ATOM 956 OD1 ASN A 912 -9.741 -9.114 -19.232 1.00 0.00 O ATOM 957 ND2 ASN A 912 -10.653 -7.525 -18.031 1.00 0.00 N ATOM 0 H ASN A 912 -13.881 -11.055 -18.310 1.00 0.00 H new ATOM 0 HA ASN A 912 -13.479 -8.243 -18.481 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -12.032 -9.594 -17.117 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -11.628 -10.651 -18.455 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -9.876 -6.897 -18.235 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -11.423 -7.209 -17.441 1.00 0.00 H new ATOM 964 N GLU A 913 -13.109 -9.789 -21.328 1.00 0.00 N ATOM 965 CA GLU A 913 -13.077 -9.600 -22.793 1.00 0.00 C ATOM 966 C GLU A 913 -14.285 -8.795 -23.346 1.00 0.00 C ATOM 967 O GLU A 913 -14.293 -8.378 -24.504 1.00 0.00 O ATOM 968 CB GLU A 913 -12.946 -11.004 -23.417 1.00 0.00 C ATOM 969 CG GLU A 913 -12.930 -11.100 -24.956 1.00 0.00 C ATOM 970 CD GLU A 913 -14.312 -11.268 -25.642 1.00 0.00 C ATOM 971 OE1 GLU A 913 -14.403 -11.035 -26.874 1.00 0.00 O ATOM 972 OE2 GLU A 913 -15.298 -11.711 -25.003 1.00 0.00 O1- ATOM 0 H GLU A 913 -13.318 -10.752 -21.063 1.00 0.00 H new ATOM 0 HA GLU A 913 -12.225 -8.979 -23.069 1.00 0.00 H new ATOM 0 HB2 GLU A 913 -12.027 -11.454 -23.042 1.00 0.00 H new ATOM 0 HB3 GLU A 913 -13.772 -11.613 -23.050 1.00 0.00 H new ATOM 0 HG2 GLU A 913 -12.457 -10.201 -25.351 1.00 0.00 H new ATOM 0 HG3 GLU A 913 -12.300 -11.943 -25.241 1.00 0.00 H new ATOM 979 N GLU A 914 -15.306 -8.543 -22.521 1.00 0.00 N ATOM 980 CA GLU A 914 -16.453 -7.668 -22.808 1.00 0.00 C ATOM 981 C GLU A 914 -16.310 -6.306 -22.103 1.00 0.00 C ATOM 982 O GLU A 914 -16.419 -5.263 -22.747 1.00 0.00 O ATOM 983 CB GLU A 914 -17.764 -8.351 -22.382 1.00 0.00 C ATOM 984 CG GLU A 914 -18.036 -9.681 -23.100 1.00 0.00 C ATOM 985 CD GLU A 914 -19.376 -10.312 -22.657 1.00 0.00 C ATOM 986 OE1 GLU A 914 -19.612 -10.468 -21.434 1.00 0.00 O ATOM 987 OE2 GLU A 914 -20.196 -10.676 -23.535 1.00 0.00 O1- ATOM 0 H GLU A 914 -15.360 -8.961 -21.592 1.00 0.00 H new ATOM 0 HA GLU A 914 -16.477 -7.489 -23.883 1.00 0.00 H new ATOM 0 HB2 GLU A 914 -17.737 -8.529 -21.307 1.00 0.00 H new ATOM 0 HB3 GLU A 914 -18.594 -7.671 -22.571 1.00 0.00 H new ATOM 0 HG2 GLU A 914 -18.051 -9.515 -24.177 1.00 0.00 H new ATOM 0 HG3 GLU A 914 -17.222 -10.377 -22.896 1.00 0.00 H new ATOM 994 N ILE A 915 -15.998 -6.291 -20.796 1.00 0.00 N ATOM 995 CA ILE A 915 -15.800 -5.055 -20.011 1.00 0.00 C ATOM 996 C ILE A 915 -14.423 -4.384 -20.184 1.00 0.00 C ATOM 997 O ILE A 915 -14.019 -3.470 -19.471 1.00 0.00 O ATOM 998 CB ILE A 915 -16.222 -5.228 -18.547 1.00 0.00 C ATOM 999 CG1 ILE A 915 -16.282 -3.893 -17.774 1.00 0.00 C ATOM 1000 CG2 ILE A 915 -15.348 -6.207 -17.749 1.00 0.00 C ATOM 1001 CD1 ILE A 915 -16.801 -2.708 -18.606 1.00 0.00 C ATOM 0 H ILE A 915 -15.875 -7.142 -20.248 1.00 0.00 H new ATOM 0 HA ILE A 915 -16.484 -4.329 -20.451 1.00 0.00 H new ATOM 0 HB ILE A 915 -17.223 -5.651 -18.628 1.00 0.00 H new ATOM 0 HG12 ILE A 915 -16.923 -4.019 -16.902 1.00 0.00 H new ATOM 0 HG13 ILE A 915 -15.285 -3.654 -17.404 1.00 0.00 H new ATOM 0 HG21 ILE A 915 -15.715 -6.271 -16.725 1.00 0.00 H new ATOM 0 HG22 ILE A 915 -15.391 -7.193 -18.212 1.00 0.00 H new ATOM 0 HG23 ILE A 915 -14.317 -5.853 -17.744 1.00 0.00 H new ATOM 0 HD11 ILE A 915 -16.812 -1.809 -17.990 1.00 0.00 H new ATOM 0 HD12 ILE A 915 -16.147 -2.552 -19.464 1.00 0.00 H new ATOM 0 HD13 ILE A 915 -17.812 -2.922 -18.954 1.00 0.00 H new ATOM 1013 N ASN A 916 -13.675 -4.840 -21.160 1.00 0.00 N ATOM 1014 CA ASN A 916 -12.579 -4.067 -21.759 1.00 0.00 C ATOM 1015 C ASN A 916 -12.985 -3.435 -23.112 1.00 0.00 C ATOM 1016 O ASN A 916 -12.688 -2.268 -23.374 1.00 0.00 O ATOM 1017 CB ASN A 916 -11.280 -4.909 -21.747 1.00 0.00 C ATOM 1018 CG ASN A 916 -11.193 -6.049 -22.761 1.00 0.00 C ATOM 1019 OD1 ASN A 916 -12.120 -6.364 -23.490 1.00 0.00 O ATOM 1020 ND2 ASN A 916 -10.065 -6.714 -22.847 1.00 0.00 N ATOM 0 H ASN A 916 -13.799 -5.764 -21.574 1.00 0.00 H new ATOM 0 HA ASN A 916 -12.355 -3.190 -21.151 1.00 0.00 H new ATOM 0 HB2 ASN A 916 -10.438 -4.238 -21.916 1.00 0.00 H new ATOM 0 HB3 ASN A 916 -11.157 -5.330 -20.749 1.00 0.00 H new ATOM 0 HD21 ASN A 916 -9.974 -7.480 -23.515 1.00 0.00 H new ATOM 0 HD22 ASN A 916 -9.279 -6.465 -22.246 1.00 0.00 H new ATOM 1027 N GLU A 917 -13.776 -4.140 -23.919 1.00 0.00 N ATOM 1028 CA GLU A 917 -14.311 -3.681 -25.207 1.00 0.00 C ATOM 1029 C GLU A 917 -15.344 -2.551 -25.080 1.00 0.00 C ATOM 1030 O GLU A 917 -15.419 -1.693 -25.959 1.00 0.00 O ATOM 1031 CB GLU A 917 -14.939 -4.874 -25.942 1.00 0.00 C ATOM 1032 CG GLU A 917 -13.975 -5.546 -26.928 1.00 0.00 C ATOM 1033 CD GLU A 917 -13.770 -4.696 -28.201 1.00 0.00 C ATOM 1034 OE1 GLU A 917 -12.742 -3.984 -28.311 1.00 0.00 O ATOM 1035 OE2 GLU A 917 -14.638 -4.735 -29.109 1.00 0.00 O1- ATOM 0 H GLU A 917 -14.076 -5.087 -23.687 1.00 0.00 H new ATOM 0 HA GLU A 917 -13.474 -3.268 -25.769 1.00 0.00 H new ATOM 0 HB2 GLU A 917 -15.273 -5.610 -25.210 1.00 0.00 H new ATOM 0 HB3 GLU A 917 -15.824 -4.536 -26.481 1.00 0.00 H new ATOM 0 HG2 GLU A 917 -13.013 -5.709 -26.442 1.00 0.00 H new ATOM 0 HG3 GLU A 917 -14.363 -6.526 -27.204 1.00 0.00 H new ATOM 1042 N GLU A 918 -16.119 -2.513 -23.990 1.00 0.00 N ATOM 1043 CA GLU A 918 -17.136 -1.469 -23.765 1.00 0.00 C ATOM 1044 C GLU A 918 -16.523 -0.060 -23.656 1.00 0.00 C ATOM 1045 O GLU A 918 -17.163 0.925 -24.029 1.00 0.00 O ATOM 1046 CB GLU A 918 -17.951 -1.785 -22.494 1.00 0.00 C ATOM 1047 CG GLU A 918 -19.301 -1.040 -22.406 1.00 0.00 C ATOM 1048 CD GLU A 918 -20.259 -1.297 -23.594 1.00 0.00 C ATOM 1049 OE1 GLU A 918 -20.994 -0.360 -23.991 1.00 0.00 O ATOM 1050 OE2 GLU A 918 -20.313 -2.433 -24.128 1.00 0.00 O1- ATOM 0 H GLU A 918 -16.062 -3.201 -23.239 1.00 0.00 H new ATOM 0 HA GLU A 918 -17.792 -1.471 -24.636 1.00 0.00 H new ATOM 0 HB2 GLU A 918 -18.138 -2.858 -22.453 1.00 0.00 H new ATOM 0 HB3 GLU A 918 -17.352 -1.532 -21.619 1.00 0.00 H new ATOM 0 HG2 GLU A 918 -19.802 -1.332 -21.483 1.00 0.00 H new ATOM 0 HG3 GLU A 918 -19.106 0.030 -22.339 1.00 0.00 H new ATOM 1057 N LEU A 919 -15.277 0.034 -23.168 1.00 0.00 N ATOM 1058 CA LEU A 919 -14.512 1.284 -23.083 1.00 0.00 C ATOM 1059 C LEU A 919 -13.514 1.451 -24.244 1.00 0.00 C ATOM 1060 O LEU A 919 -13.213 2.576 -24.647 1.00 0.00 O ATOM 1061 CB LEU A 919 -13.767 1.379 -21.738 1.00 0.00 C ATOM 1062 CG LEU A 919 -14.644 1.088 -20.502 1.00 0.00 C ATOM 1063 CD1 LEU A 919 -14.397 -0.331 -20.013 1.00 0.00 C ATOM 1064 CD2 LEU A 919 -14.339 2.073 -19.395 1.00 0.00 C ATOM 0 H LEU A 919 -14.764 -0.774 -22.815 1.00 0.00 H new ATOM 0 HA LEU A 919 -15.238 2.094 -23.156 1.00 0.00 H new ATOM 0 HB2 LEU A 919 -12.932 0.679 -21.749 1.00 0.00 H new ATOM 0 HB3 LEU A 919 -13.344 2.379 -21.641 1.00 0.00 H new ATOM 0 HG LEU A 919 -15.691 1.193 -20.785 1.00 0.00 H new ATOM 0 HD11 LEU A 919 -15.020 -0.529 -19.140 1.00 0.00 H new ATOM 0 HD12 LEU A 919 -14.647 -1.037 -20.805 1.00 0.00 H new ATOM 0 HD13 LEU A 919 -13.347 -0.445 -19.743 1.00 0.00 H new ATOM 0 HD21 LEU A 919 -14.966 1.854 -18.530 1.00 0.00 H new ATOM 0 HD22 LEU A 919 -13.289 1.990 -19.113 1.00 0.00 H new ATOM 0 HD23 LEU A 919 -14.542 3.086 -19.743 1.00 0.00 H new ATOM 1076 N GLY A 920 -13.001 0.334 -24.773 1.00 0.00 N ATOM 1077 CA GLY A 920 -11.995 0.290 -25.844 1.00 0.00 C ATOM 1078 C GLY A 920 -10.561 0.123 -25.323 1.00 0.00 C ATOM 1079 O GLY A 920 -9.631 0.742 -25.847 1.00 0.00 O ATOM 0 H GLY A 920 -13.283 -0.594 -24.458 1.00 0.00 H new ATOM 0 HA2 GLY A 920 -12.228 -0.534 -26.518 1.00 0.00 H new ATOM 0 HA3 GLY A 920 -12.057 1.207 -26.429 1.00 0.00 H new ATOM 1083 N ILE A 921 -10.393 -0.680 -24.267 1.00 0.00 N ATOM 1084 CA ILE A 921 -9.131 -0.937 -23.549 1.00 0.00 C ATOM 1085 C ILE A 921 -8.754 -2.431 -23.576 1.00 0.00 C ATOM 1086 O ILE A 921 -9.530 -3.274 -24.032 1.00 0.00 O ATOM 1087 CB ILE A 921 -9.203 -0.362 -22.112 1.00 0.00 C ATOM 1088 CG1 ILE A 921 -10.291 -1.051 -21.257 1.00 0.00 C ATOM 1089 CG2 ILE A 921 -9.378 1.165 -22.160 1.00 0.00 C ATOM 1090 CD1 ILE A 921 -10.334 -0.573 -19.803 1.00 0.00 C ATOM 0 H ILE A 921 -11.174 -1.198 -23.865 1.00 0.00 H new ATOM 0 HA ILE A 921 -8.325 -0.417 -24.067 1.00 0.00 H new ATOM 0 HB ILE A 921 -8.257 -0.578 -21.615 1.00 0.00 H new ATOM 0 HG12 ILE A 921 -11.264 -0.876 -21.715 1.00 0.00 H new ATOM 0 HG13 ILE A 921 -10.122 -2.128 -21.270 1.00 0.00 H new ATOM 0 HG21 ILE A 921 -9.427 1.558 -21.144 1.00 0.00 H new ATOM 0 HG22 ILE A 921 -8.531 1.612 -22.681 1.00 0.00 H new ATOM 0 HG23 ILE A 921 -10.299 1.409 -22.689 1.00 0.00 H new ATOM 0 HD11 ILE A 921 -11.123 -1.103 -19.269 1.00 0.00 H new ATOM 0 HD12 ILE A 921 -9.375 -0.773 -19.326 1.00 0.00 H new ATOM 0 HD13 ILE A 921 -10.535 0.498 -19.778 1.00 0.00 H new ATOM 1102 N GLY A 922 -7.546 -2.760 -23.107 1.00 0.00 N ATOM 1103 CA GLY A 922 -6.984 -4.123 -23.152 1.00 0.00 C ATOM 1104 C GLY A 922 -7.025 -4.901 -21.829 1.00 0.00 C ATOM 1105 O GLY A 922 -7.327 -6.095 -21.825 1.00 0.00 O ATOM 0 H GLY A 922 -6.918 -2.080 -22.678 1.00 0.00 H new ATOM 0 HA2 GLY A 922 -7.525 -4.695 -23.906 1.00 0.00 H new ATOM 0 HA3 GLY A 922 -5.947 -4.059 -23.483 1.00 0.00 H new ATOM 1109 N GLN A 923 -6.748 -4.233 -20.704 1.00 0.00 N ATOM 1110 CA GLN A 923 -6.500 -4.844 -19.384 1.00 0.00 C ATOM 1111 C GLN A 923 -5.357 -5.888 -19.394 1.00 0.00 C ATOM 1112 O GLN A 923 -4.507 -5.866 -20.283 1.00 0.00 O ATOM 1113 CB GLN A 923 -7.838 -5.325 -18.768 1.00 0.00 C ATOM 1114 CG GLN A 923 -8.058 -4.794 -17.342 1.00 0.00 C ATOM 1115 CD GLN A 923 -8.359 -3.293 -17.293 1.00 0.00 C ATOM 1116 OE1 GLN A 923 -7.912 -2.487 -18.096 1.00 0.00 O ATOM 1117 NE2 GLN A 923 -9.145 -2.843 -16.344 1.00 0.00 N ATOM 0 H GLN A 923 -6.687 -3.215 -20.682 1.00 0.00 H new ATOM 0 HA GLN A 923 -6.108 -4.081 -18.711 1.00 0.00 H new ATOM 0 HB2 GLN A 923 -8.663 -5.002 -19.403 1.00 0.00 H new ATOM 0 HB3 GLN A 923 -7.855 -6.415 -18.753 1.00 0.00 H new ATOM 0 HG2 GLN A 923 -8.883 -5.338 -16.883 1.00 0.00 H new ATOM 0 HG3 GLN A 923 -7.170 -4.999 -16.745 1.00 0.00 H new ATOM 0 HE21 GLN A 923 -9.536 -3.488 -15.657 1.00 0.00 H new ATOM 0 HE22 GLN A 923 -9.365 -1.848 -16.293 1.00 0.00 H new ATOM 1126 N ASP A 924 -5.284 -6.776 -18.394 1.00 0.00 N ATOM 1127 CA ASP A 924 -4.201 -7.771 -18.247 1.00 0.00 C ATOM 1128 C ASP A 924 -4.115 -8.771 -19.419 1.00 0.00 C ATOM 1129 O ASP A 924 -3.029 -9.202 -19.805 1.00 0.00 O ATOM 1130 CB ASP A 924 -4.422 -8.535 -16.935 1.00 0.00 C ATOM 1131 CG ASP A 924 -3.253 -9.478 -16.579 1.00 0.00 C ATOM 1132 OD1 ASP A 924 -2.076 -9.043 -16.605 1.00 0.00 O ATOM 1133 OD2 ASP A 924 -3.508 -10.666 -16.265 1.00 0.00 O1- ATOM 0 H ASP A 924 -5.982 -6.828 -17.652 1.00 0.00 H new ATOM 0 HA ASP A 924 -3.256 -7.227 -18.243 1.00 0.00 H new ATOM 0 HB2 ASP A 924 -4.564 -7.820 -16.125 1.00 0.00 H new ATOM 0 HB3 ASP A 924 -5.340 -9.117 -17.011 1.00 0.00 H new ATOM 1138 N GLU A 925 -5.262 -9.115 -20.014 1.00 0.00 N ATOM 1139 CA GLU A 925 -5.343 -9.945 -21.231 1.00 0.00 C ATOM 1140 C GLU A 925 -4.770 -9.249 -22.483 1.00 0.00 C ATOM 1141 O GLU A 925 -4.251 -9.913 -23.382 1.00 0.00 O ATOM 1142 CB GLU A 925 -6.802 -10.352 -21.479 1.00 0.00 C ATOM 1143 CG GLU A 925 -7.278 -11.362 -20.418 1.00 0.00 C ATOM 1144 CD GLU A 925 -8.633 -12.045 -20.724 1.00 0.00 C ATOM 1145 OE1 GLU A 925 -9.248 -12.599 -19.779 1.00 0.00 O ATOM 1146 OE2 GLU A 925 -9.069 -12.109 -21.900 1.00 0.00 O1- ATOM 0 H GLU A 925 -6.174 -8.824 -19.663 1.00 0.00 H new ATOM 0 HA GLU A 925 -4.726 -10.826 -21.057 1.00 0.00 H new ATOM 0 HB2 GLU A 925 -7.439 -9.468 -21.457 1.00 0.00 H new ATOM 0 HB3 GLU A 925 -6.898 -10.790 -22.473 1.00 0.00 H new ATOM 0 HG2 GLU A 925 -6.517 -12.134 -20.306 1.00 0.00 H new ATOM 0 HG3 GLU A 925 -7.355 -10.849 -19.459 1.00 0.00 H new ATOM 1153 N ALA A 926 -4.819 -7.913 -22.489 1.00 0.00 N ATOM 1154 CA ALA A 926 -4.208 -6.928 -23.394 1.00 0.00 C ATOM 1155 C ALA A 926 -4.748 -6.908 -24.830 1.00 0.00 C ATOM 1156 O ALA A 926 -5.028 -5.845 -25.385 1.00 0.00 O ATOM 1157 CB ALA A 926 -2.685 -7.104 -23.370 1.00 0.00 C ATOM 0 H ALA A 926 -5.357 -7.434 -21.767 1.00 0.00 H new ATOM 0 HA ALA A 926 -4.494 -5.950 -23.008 1.00 0.00 H new ATOM 0 HB1 ALA A 926 -2.224 -6.377 -24.039 1.00 0.00 H new ATOM 0 HB2 ALA A 926 -2.317 -6.949 -22.356 1.00 0.00 H new ATOM 0 HB3 ALA A 926 -2.430 -8.112 -23.698 1.00 0.00 H new ATOM 1163 N ASP A 927 -4.911 -8.084 -25.422 1.00 0.00 N ATOM 1164 CA ASP A 927 -5.324 -8.321 -26.816 1.00 0.00 C ATOM 1165 C ASP A 927 -6.847 -8.132 -27.063 1.00 0.00 C ATOM 1166 O ASP A 927 -7.462 -8.877 -27.831 1.00 0.00 O ATOM 1167 CB ASP A 927 -4.802 -9.705 -27.252 1.00 0.00 C ATOM 1168 CG ASP A 927 -4.797 -9.940 -28.779 1.00 0.00 C ATOM 1169 OD1 ASP A 927 -4.719 -8.968 -29.571 1.00 0.00 O ATOM 1170 OD2 ASP A 927 -4.803 -11.123 -29.201 1.00 0.00 O1- ATOM 0 H ASP A 927 -4.751 -8.957 -24.919 1.00 0.00 H new ATOM 0 HA ASP A 927 -4.874 -7.554 -27.446 1.00 0.00 H new ATOM 0 HB2 ASP A 927 -3.787 -9.831 -26.875 1.00 0.00 H new ATOM 0 HB3 ASP A 927 -5.414 -10.474 -26.781 1.00 0.00 H new ATOM 1175 N ALA A 928 -7.452 -7.151 -26.375 1.00 0.00 N ATOM 1176 CA ALA A 928 -8.886 -6.811 -26.358 1.00 0.00 C ATOM 1177 C ALA A 928 -9.808 -8.041 -26.129 1.00 0.00 C ATOM 1178 O ALA A 928 -9.735 -8.614 -25.017 1.00 0.00 O ATOM 1179 CB ALA A 928 -9.214 -5.955 -27.594 1.00 0.00 C ATOM 1180 OXT ALA A 928 -10.598 -8.416 -27.030 1.00 0.00 O ATOM 0 H ALA A 928 -6.914 -6.529 -25.772 1.00 0.00 H new ATOM 0 HA ALA A 928 -9.105 -6.200 -25.482 1.00 0.00 H new ATOM 0 HB1 ALA A 928 -10.274 -5.699 -27.589 1.00 0.00 H new ATOM 0 HB2 ALA A 928 -8.620 -5.041 -27.572 1.00 0.00 H new ATOM 0 HB3 ALA A 928 -8.981 -6.517 -28.498 1.00 0.00 H new TER 1186 ALA A 928 ATOM 1187 N ALA B 1 -8.713 2.397 -6.884 1.00 0.00 N ATOM 1188 CA ALA B 1 -8.090 1.128 -7.343 1.00 0.00 C ATOM 1189 C ALA B 1 -7.991 1.122 -8.872 1.00 0.00 C ATOM 1190 O ALA B 1 -8.740 1.848 -9.525 1.00 0.00 O ATOM 1191 CB ALA B 1 -8.869 -0.097 -6.820 1.00 0.00 C ATOM 0 H1 ALA B 1 -8.793 2.389 -5.847 1.00 0.00 H new ATOM 0 H2 ALA B 1 -8.122 3.200 -7.179 1.00 0.00 H new ATOM 0 H3 ALA B 1 -9.660 2.491 -7.304 1.00 0.00 H new ATOM 0 HA ALA B 1 -7.082 1.062 -6.932 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -8.390 -1.010 -7.172 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -8.874 -0.087 -5.730 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -9.894 -0.060 -7.188 1.00 0.00 H new ATOM 1199 N ARG B 2 -7.104 0.309 -9.470 1.00 0.00 N ATOM 1200 CA ARG B 2 -7.028 0.149 -10.939 1.00 0.00 C ATOM 1201 C ARG B 2 -8.336 -0.433 -11.475 1.00 0.00 C ATOM 1202 O ARG B 2 -8.630 -1.607 -11.243 1.00 0.00 O ATOM 1203 CB ARG B 2 -5.813 -0.717 -11.331 1.00 0.00 C ATOM 1204 CG ARG B 2 -5.727 -1.067 -12.832 1.00 0.00 C ATOM 1205 CD ARG B 2 -5.687 0.152 -13.770 1.00 0.00 C ATOM 1206 NE ARG B 2 -6.919 0.292 -14.582 1.00 0.00 N ATOM 1207 CZ ARG B 2 -7.097 -0.121 -15.824 1.00 0.00 C ATOM 1208 NH1 ARG B 2 -6.228 -0.838 -16.464 1.00 0.00 N1+ ATOM 1209 NH2 ARG B 2 -8.186 0.184 -16.463 1.00 0.00 N ATOM 0 H ARG B 2 -6.424 -0.253 -8.958 1.00 0.00 H new ATOM 0 HA ARG B 2 -6.888 1.129 -11.395 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -4.902 -0.193 -11.041 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -5.844 -1.643 -10.757 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -4.834 -1.669 -13.001 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -6.584 -1.686 -13.098 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -5.543 1.056 -13.178 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -4.827 0.066 -14.434 1.00 0.00 H new ATOM 0 HE ARG B 2 -7.711 0.755 -14.136 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -5.357 -1.110 -16.009 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -6.415 -1.131 -17.423 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -8.906 0.744 -16.006 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -8.321 -0.136 -17.422 1.00 0.00 H new ATOM 1223 N THR B 3 -9.099 0.399 -12.184 1.00 0.00 N ATOM 1224 CA THR B 3 -10.386 0.042 -12.801 1.00 0.00 C ATOM 1225 C THR B 3 -10.734 0.952 -13.995 1.00 0.00 C ATOM 1226 O THR B 3 -9.827 1.529 -14.602 1.00 0.00 O ATOM 1227 CB THR B 3 -11.477 0.003 -11.700 1.00 0.00 C ATOM 1228 OG1 THR B 3 -12.659 -0.577 -12.203 1.00 0.00 O ATOM 1229 CG2 THR B 3 -11.857 1.380 -11.151 1.00 0.00 C ATOM 0 H THR B 3 -8.835 1.370 -12.352 1.00 0.00 H new ATOM 0 HA THR B 3 -10.319 -0.954 -13.238 1.00 0.00 H new ATOM 0 HB THR B 3 -11.040 -0.583 -10.892 1.00 0.00 H new ATOM 0 HG1 THR B 3 -12.457 -1.461 -12.575 1.00 0.00 H new ATOM 0 HG21 THR B 3 -12.625 1.267 -10.386 1.00 0.00 H new ATOM 0 HG22 THR B 3 -10.977 1.853 -10.715 1.00 0.00 H new ATOM 0 HG23 THR B 3 -12.240 2.002 -11.961 1.00 0.00 H new HETATM 1237 N MLZ B 4 -12.007 1.000 -14.404 1.00 0.00 N HETATM 1238 CA MLZ B 4 -12.512 1.570 -15.652 1.00 0.00 C HETATM 1239 CB MLZ B 4 -12.511 0.414 -16.692 1.00 0.00 C HETATM 1240 CG MLZ B 4 -13.626 -0.650 -16.556 1.00 0.00 C HETATM 1241 CD MLZ B 4 -13.318 -1.800 -15.588 1.00 0.00 C HETATM 1242 CE MLZ B 4 -12.208 -2.722 -16.121 1.00 0.00 C HETATM 1243 NZ MLZ B 4 -12.733 -3.731 -17.077 1.00 0.00 N HETATM 1244 CM MLZ B 4 -11.593 -4.418 -17.724 1.00 0.00 C HETATM 1245 C MLZ B 4 -13.883 2.278 -15.460 1.00 0.00 C HETATM 1246 O MLZ B 4 -14.644 1.917 -14.561 1.00 0.00 O HETATM 0 HCM3 MLZ B 4 -10.983 -3.688 -18.257 1.00 0.00 H new HETATM 0 HCM2 MLZ B 4 -10.987 -4.911 -16.964 1.00 0.00 H new HETATM 0 HCM1 MLZ B 4 -11.968 -5.161 -18.428 1.00 0.00 H new HETATM 0 HZ MLZ B 4 -13.719 -3.920 -17.258 1.00 0.00 H new HETATM 0 HG3 MLZ B 4 -14.540 -0.155 -16.228 1.00 0.00 H new HETATM 0 HG2 MLZ B 4 -13.827 -1.070 -17.541 1.00 0.00 H new HETATM 0 HE3 MLZ B 4 -11.443 -2.121 -16.612 1.00 0.00 H new HETATM 0 HE2 MLZ B 4 -11.727 -3.230 -15.285 1.00 0.00 H new HETATM 0 HD3 MLZ B 4 -13.017 -1.391 -14.624 1.00 0.00 H new HETATM 0 HD2 MLZ B 4 -14.223 -2.383 -15.419 1.00 0.00 H new HETATM 0 HB3 MLZ B 4 -12.580 0.853 -17.687 1.00 0.00 H new HETATM 0 HB2 MLZ B 4 -11.548 -0.094 -16.634 1.00 0.00 H new HETATM 0 HA MLZ B 4 -11.876 2.376 -16.018 1.00 0.00 H new ATOM 1262 N GLN B 5 -14.228 3.238 -16.328 1.00 0.00 N ATOM 1263 CA GLN B 5 -15.501 3.986 -16.281 1.00 0.00 C ATOM 1264 C GLN B 5 -16.231 4.046 -17.635 1.00 0.00 C ATOM 1265 O GLN B 5 -15.953 4.885 -18.493 1.00 0.00 O ATOM 1266 CB GLN B 5 -15.279 5.369 -15.641 1.00 0.00 C ATOM 1267 CG GLN B 5 -14.324 6.329 -16.376 1.00 0.00 C ATOM 1268 CD GLN B 5 -15.018 7.620 -16.802 1.00 0.00 C ATOM 1269 OE1 GLN B 5 -15.007 8.620 -16.099 1.00 0.00 O ATOM 1270 NE2 GLN B 5 -15.658 7.648 -17.950 1.00 0.00 N ATOM 0 H GLN B 5 -13.623 3.525 -17.098 1.00 0.00 H new ATOM 0 HA GLN B 5 -16.187 3.430 -15.641 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -16.248 5.859 -15.547 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -14.899 5.219 -14.631 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -13.482 6.569 -15.727 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -13.917 5.830 -17.256 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -15.674 6.820 -18.545 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -16.138 8.498 -18.246 1.00 0.00 H new ATOM 1279 N THR B 6 -17.177 3.126 -17.835 1.00 0.00 N ATOM 1280 CA THR B 6 -17.995 3.014 -19.054 1.00 0.00 C ATOM 1281 C THR B 6 -18.912 4.225 -19.247 1.00 0.00 C ATOM 1282 O THR B 6 -19.679 4.586 -18.354 1.00 0.00 O ATOM 1283 CB THR B 6 -18.852 1.739 -19.019 1.00 0.00 C ATOM 1284 OG1 THR B 6 -19.292 1.473 -17.708 1.00 0.00 O ATOM 1285 CG2 THR B 6 -18.074 0.503 -19.435 1.00 0.00 C ATOM 0 H THR B 6 -17.405 2.417 -17.138 1.00 0.00 H new ATOM 0 HA THR B 6 -17.300 2.971 -19.892 1.00 0.00 H new ATOM 0 HB THR B 6 -19.675 1.927 -19.708 1.00 0.00 H new ATOM 0 HG1 THR B 6 -19.614 2.302 -17.296 1.00 0.00 H new ATOM 0 HG21 THR B 6 -18.727 -0.369 -19.392 1.00 0.00 H new ATOM 0 HG22 THR B 6 -17.705 0.631 -20.453 1.00 0.00 H new ATOM 0 HG23 THR B 6 -17.231 0.359 -18.759 1.00 0.00 H new ATOM 1293 N ALA B 7 -18.896 4.805 -20.450 1.00 0.00 N ATOM 1294 CA ALA B 7 -19.762 5.915 -20.879 1.00 0.00 C ATOM 1295 C ALA B 7 -21.183 5.447 -21.274 1.00 0.00 C ATOM 1296 O ALA B 7 -21.753 5.863 -22.292 1.00 0.00 O ATOM 1297 CB ALA B 7 -19.044 6.665 -22.004 1.00 0.00 C ATOM 0 H ALA B 7 -18.255 4.505 -21.184 1.00 0.00 H new ATOM 0 HA ALA B 7 -19.929 6.594 -20.042 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -19.665 7.495 -22.342 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -18.093 7.050 -21.636 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -18.863 5.985 -22.836 1.00 0.00 H new ATOM 1303 N ARG B 8 -21.719 4.497 -20.506 1.00 0.00 N ATOM 1304 CA ARG B 8 -22.975 3.774 -20.730 1.00 0.00 C ATOM 1305 C ARG B 8 -23.510 3.287 -19.382 1.00 0.00 C ATOM 1306 O ARG B 8 -22.850 2.483 -18.721 1.00 0.00 O ATOM 1307 CB ARG B 8 -22.728 2.593 -21.705 1.00 0.00 C ATOM 1308 CG ARG B 8 -23.977 2.250 -22.540 1.00 0.00 C ATOM 1309 CD ARG B 8 -24.029 2.984 -23.893 1.00 0.00 C ATOM 1310 NE ARG B 8 -23.771 4.432 -23.762 1.00 0.00 N ATOM 1311 CZ ARG B 8 -24.478 5.451 -24.209 1.00 0.00 C ATOM 1312 NH1 ARG B 8 -25.575 5.310 -24.897 1.00 0.00 N1+ ATOM 1313 NH2 ARG B 8 -24.062 6.655 -23.947 1.00 0.00 N ATOM 0 H ARG B 8 -21.255 4.190 -19.651 1.00 0.00 H new ATOM 0 HA ARG B 8 -23.719 4.429 -21.183 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -21.905 2.844 -22.374 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -22.421 1.715 -21.137 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -24.002 1.175 -22.717 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -24.869 2.499 -21.965 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -23.293 2.547 -24.568 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -25.008 2.832 -24.347 1.00 0.00 H new ATOM 0 HE ARG B 8 -22.923 4.680 -23.252 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -25.925 4.377 -25.113 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -26.084 6.133 -25.219 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -23.207 6.793 -23.408 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -24.590 7.461 -24.281 1.00 0.00 H new ATOM 1327 N TYR B 9 -24.675 3.778 -18.964 1.00 0.00 N ATOM 1328 CA TYR B 9 -25.354 3.424 -17.703 1.00 0.00 C ATOM 1329 C TYR B 9 -26.885 3.589 -17.807 1.00 0.00 C ATOM 1330 O TYR B 9 -27.358 4.683 -18.197 1.00 0.00 O ATOM 1331 CB TYR B 9 -24.757 4.257 -16.551 1.00 0.00 C ATOM 1332 CG TYR B 9 -25.257 3.891 -15.164 1.00 0.00 C ATOM 1333 CD1 TYR B 9 -25.952 4.839 -14.387 1.00 0.00 C ATOM 1334 CD2 TYR B 9 -25.000 2.609 -14.636 1.00 0.00 C ATOM 1335 CE1 TYR B 9 -26.391 4.507 -13.089 1.00 0.00 C ATOM 1336 CE2 TYR B 9 -25.434 2.273 -13.339 1.00 0.00 C ATOM 1337 CZ TYR B 9 -26.133 3.223 -12.562 1.00 0.00 C ATOM 1338 OH TYR B 9 -26.549 2.915 -11.303 1.00 0.00 O ATOM 1339 OXT TYR B 9 -27.612 2.603 -17.544 1.00 0.00 O ATOM 0 H TYR B 9 -25.199 4.461 -19.511 1.00 0.00 H new ATOM 0 HA TYR B 9 -25.182 2.368 -17.495 1.00 0.00 H new ATOM 0 HB2 TYR B 9 -23.673 4.149 -16.569 1.00 0.00 H new ATOM 0 HB3 TYR B 9 -24.976 5.309 -16.733 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -26.149 5.823 -14.787 1.00 0.00 H new ATOM 0 HD2 TYR B 9 -24.467 1.881 -15.230 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -26.925 5.236 -12.497 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -25.233 1.290 -12.939 1.00 0.00 H new ATOM 0 HH TYR B 9 -26.295 1.993 -11.091 1.00 0.00 H new TER 1349 TYR B 9 HETATM 1350 ZN ZN A1001 -12.961 -11.549 -5.080 1.00 0.00 ZN