USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=18 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 Set 1.1: A 908 GLN : amide:sc= 1.29 K(o=2.6,f=0.41) USER MOD Set 1.2: A 912 ASN : amide:sc= 1.33 K(o=2.6,f=-3.4!) USER MOD Single : A 851 SER OG : rot 150:sc= 0.619 USER MOD Single : A 855 SER OG : rot 180:sc= 0.383 USER MOD Single : A 858 SER OG : rot 180:sc= 0.00761 USER MOD Single : A 861 THR OG1 : rot 77:sc= 0.404 USER MOD Single : A 863 SER OG : rot -149:sc= 0.354 USER MOD Single : A 873 LYS NZ :NH3+ -174:sc= 2.38 (180deg=2.28) 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=-0.00337 USER MOD Single : A 894 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 895 ASN : amide:sc= 2.15 K(o=2.1,f=-0.058) USER MOD Single : A 896 ASN : amide:sc= -0.0134 X(o=-0.013,f=-0.22) 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= 0.338 USER MOD Single : A 910 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 911 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 916 ASN : amide:sc= -0.213 K(o=-0.21,f=-4.7!) USER MOD Single : A 923 GLN : amide:sc= -1.49 K(o=-1.5,f=-2) USER MOD Single : B 1 ALA N :NH3+ -168:sc= 1.38 (180deg=1.26) USER MOD Single : B 3 THR OG1 : rot 56:sc= -0.282 USER MOD Single : B 5 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : B 6 THR OG1 : rot -114:sc= 0.725 USER MOD Single : B 9 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 850 1.262 3.658 -5.806 1.00 0.00 N ATOM 2 CA GLY A 850 1.913 2.456 -6.368 1.00 0.00 C ATOM 3 C GLY A 850 0.912 1.326 -6.550 1.00 0.00 C ATOM 4 O GLY A 850 0.677 0.551 -5.622 1.00 0.00 O ATOM 0 HA2 GLY A 850 2.369 2.700 -7.328 1.00 0.00 H new ATOM 0 HA3 GLY A 850 2.717 2.131 -5.707 1.00 0.00 H new ATOM 10 N SER A 851 0.300 1.236 -7.734 1.00 0.00 N ATOM 11 CA SER A 851 -0.720 0.229 -8.078 1.00 0.00 C ATOM 12 C SER A 851 -0.138 -1.146 -8.448 1.00 0.00 C ATOM 13 O SER A 851 1.038 -1.276 -8.800 1.00 0.00 O ATOM 14 CB SER A 851 -1.548 0.751 -9.250 1.00 0.00 C ATOM 15 OG SER A 851 -2.650 -0.099 -9.539 1.00 0.00 O ATOM 0 H SER A 851 0.502 1.875 -8.503 1.00 0.00 H new ATOM 0 HA SER A 851 -1.328 0.078 -7.186 1.00 0.00 H new ATOM 0 HB2 SER A 851 -1.912 1.752 -9.020 1.00 0.00 H new ATOM 0 HB3 SER A 851 -0.914 0.837 -10.133 1.00 0.00 H new ATOM 0 HG SER A 851 -3.386 0.433 -9.907 1.00 0.00 H new ATOM 21 N ARG A 852 -1.003 -2.169 -8.440 1.00 0.00 N ATOM 22 CA ARG A 852 -0.750 -3.519 -8.983 1.00 0.00 C ATOM 23 C ARG A 852 -0.770 -3.554 -10.523 1.00 0.00 C ATOM 24 O ARG A 852 -0.084 -4.387 -11.115 1.00 0.00 O ATOM 25 CB ARG A 852 -1.798 -4.493 -8.406 1.00 0.00 C ATOM 26 CG ARG A 852 -1.749 -4.582 -6.869 1.00 0.00 C ATOM 27 CD ARG A 852 -2.913 -5.395 -6.291 1.00 0.00 C ATOM 28 NE ARG A 852 -2.734 -6.853 -6.444 1.00 0.00 N ATOM 29 CZ ARG A 852 -3.538 -7.779 -5.955 1.00 0.00 C ATOM 30 NH1 ARG A 852 -4.672 -7.474 -5.393 1.00 0.00 N1+ ATOM 31 NH2 ARG A 852 -3.233 -9.041 -6.032 1.00 0.00 N ATOM 0 H ARG A 852 -1.937 -2.080 -8.040 1.00 0.00 H new ATOM 0 HA ARG A 852 0.253 -3.821 -8.683 1.00 0.00 H new ATOM 0 HB2 ARG A 852 -2.793 -4.173 -8.715 1.00 0.00 H new ATOM 0 HB3 ARG A 852 -1.636 -5.485 -8.828 1.00 0.00 H new ATOM 0 HG2 ARG A 852 -0.806 -5.036 -6.564 1.00 0.00 H new ATOM 0 HG3 ARG A 852 -1.769 -3.576 -6.449 1.00 0.00 H new ATOM 0 HD2 ARG A 852 -3.024 -5.158 -5.233 1.00 0.00 H new ATOM 0 HD3 ARG A 852 -3.838 -5.095 -6.784 1.00 0.00 H new ATOM 0 HE ARG A 852 -1.921 -7.171 -6.972 1.00 0.00 H new ATOM 0 HH11 ARG A 852 -4.960 -6.498 -5.322 1.00 0.00 H new ATOM 0 HH12 ARG A 852 -5.273 -8.211 -5.024 1.00 0.00 H new ATOM 0 HH21 ARG A 852 -2.361 -9.329 -6.476 1.00 0.00 H new ATOM 0 HH22 ARG A 852 -3.866 -9.743 -5.649 1.00 0.00 H new ATOM 45 N ARG A 853 -1.541 -2.659 -11.169 1.00 0.00 N ATOM 46 CA ARG A 853 -1.753 -2.594 -12.642 1.00 0.00 C ATOM 47 C ARG A 853 -1.855 -1.173 -13.240 1.00 0.00 C ATOM 48 O ARG A 853 -1.610 -1.011 -14.434 1.00 0.00 O ATOM 49 CB ARG A 853 -2.989 -3.447 -13.010 1.00 0.00 C ATOM 50 CG ARG A 853 -2.726 -4.955 -13.184 1.00 0.00 C ATOM 51 CD ARG A 853 -1.805 -5.275 -14.371 1.00 0.00 C ATOM 52 NE ARG A 853 -1.654 -6.731 -14.567 1.00 0.00 N ATOM 53 CZ ARG A 853 -0.944 -7.321 -15.514 1.00 0.00 C ATOM 54 NH1 ARG A 853 -0.297 -6.665 -16.429 1.00 0.00 N1+ ATOM 55 NH2 ARG A 853 -0.852 -8.613 -15.588 1.00 0.00 N ATOM 0 H ARG A 853 -2.055 -1.933 -10.670 1.00 0.00 H new ATOM 0 HA ARG A 853 -0.849 -2.999 -13.097 1.00 0.00 H new ATOM 0 HB2 ARG A 853 -3.744 -3.315 -12.235 1.00 0.00 H new ATOM 0 HB3 ARG A 853 -3.413 -3.060 -13.937 1.00 0.00 H new ATOM 0 HG2 ARG A 853 -2.280 -5.347 -12.270 1.00 0.00 H new ATOM 0 HG3 ARG A 853 -3.677 -5.470 -13.321 1.00 0.00 H new ATOM 0 HD2 ARG A 853 -2.210 -4.826 -15.278 1.00 0.00 H new ATOM 0 HD3 ARG A 853 -0.826 -4.827 -14.203 1.00 0.00 H new ATOM 0 HE ARG A 853 -2.143 -7.339 -13.910 1.00 0.00 H new ATOM 0 HH11 ARG A 853 -0.322 -5.645 -16.439 1.00 0.00 H new ATOM 0 HH12 ARG A 853 0.236 -7.169 -17.137 1.00 0.00 H new ATOM 0 HH21 ARG A 853 -1.334 -9.199 -14.906 1.00 0.00 H new ATOM 0 HH22 ARG A 853 -0.298 -9.043 -16.328 1.00 0.00 H new ATOM 69 N ALA A 854 -2.139 -0.170 -12.408 1.00 0.00 N ATOM 70 CA ALA A 854 -2.074 1.284 -12.643 1.00 0.00 C ATOM 71 C ALA A 854 -3.069 1.926 -13.634 1.00 0.00 C ATOM 72 O ALA A 854 -3.485 1.342 -14.635 1.00 0.00 O ATOM 73 CB ALA A 854 -0.628 1.724 -12.908 1.00 0.00 C ATOM 0 H ALA A 854 -2.452 -0.369 -11.458 1.00 0.00 H new ATOM 0 HA ALA A 854 -2.439 1.692 -11.701 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -0.601 2.800 -13.079 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -0.009 1.478 -12.045 1.00 0.00 H new ATOM 0 HB3 ALA A 854 -0.246 1.207 -13.788 1.00 0.00 H new ATOM 79 N SER A 855 -3.436 3.172 -13.314 1.00 0.00 N ATOM 80 CA SER A 855 -4.309 4.079 -14.075 1.00 0.00 C ATOM 81 C SER A 855 -4.091 5.542 -13.644 1.00 0.00 C ATOM 82 O SER A 855 -3.075 6.151 -13.985 1.00 0.00 O ATOM 83 CB SER A 855 -5.770 3.606 -14.005 1.00 0.00 C ATOM 84 OG SER A 855 -6.274 3.572 -12.678 1.00 0.00 O ATOM 0 H SER A 855 -3.107 3.607 -12.452 1.00 0.00 H new ATOM 0 HA SER A 855 -4.039 4.047 -15.131 1.00 0.00 H new ATOM 0 HB2 SER A 855 -6.391 4.269 -14.608 1.00 0.00 H new ATOM 0 HB3 SER A 855 -5.846 2.611 -14.444 1.00 0.00 H new ATOM 0 HG SER A 855 -7.205 3.267 -12.689 1.00 0.00 H new ATOM 90 N VAL A 856 -5.032 6.085 -12.879 1.00 0.00 N ATOM 91 CA VAL A 856 -5.090 7.449 -12.318 1.00 0.00 C ATOM 92 C VAL A 856 -5.605 7.456 -10.868 1.00 0.00 C ATOM 93 O VAL A 856 -6.172 6.477 -10.381 1.00 0.00 O ATOM 94 CB VAL A 856 -5.963 8.384 -13.190 1.00 0.00 C ATOM 95 CG1 VAL A 856 -5.312 8.656 -14.547 1.00 0.00 C ATOM 96 CG2 VAL A 856 -7.392 7.866 -13.401 1.00 0.00 C ATOM 0 H VAL A 856 -5.851 5.541 -12.606 1.00 0.00 H new ATOM 0 HA VAL A 856 -4.067 7.825 -12.317 1.00 0.00 H new ATOM 0 HB VAL A 856 -6.034 9.315 -12.627 1.00 0.00 H new ATOM 0 HG11 VAL A 856 -5.953 9.316 -15.132 1.00 0.00 H new ATOM 0 HG12 VAL A 856 -4.343 9.131 -14.397 1.00 0.00 H new ATOM 0 HG13 VAL A 856 -5.176 7.715 -15.080 1.00 0.00 H new ATOM 0 HG21 VAL A 856 -7.947 8.571 -14.021 1.00 0.00 H new ATOM 0 HG22 VAL A 856 -7.358 6.896 -13.897 1.00 0.00 H new ATOM 0 HG23 VAL A 856 -7.888 7.763 -12.436 1.00 0.00 H new ATOM 106 N GLY A 857 -5.436 8.593 -10.187 1.00 0.00 N ATOM 107 CA GLY A 857 -6.022 8.895 -8.882 1.00 0.00 C ATOM 108 C GLY A 857 -7.516 9.172 -9.032 1.00 0.00 C ATOM 109 O GLY A 857 -7.927 10.272 -9.404 1.00 0.00 O ATOM 0 H GLY A 857 -4.864 9.357 -10.546 1.00 0.00 H new ATOM 0 HA2 GLY A 857 -5.865 8.058 -8.201 1.00 0.00 H new ATOM 0 HA3 GLY A 857 -5.526 9.760 -8.443 1.00 0.00 H new ATOM 113 N SER A 858 -8.302 8.129 -8.793 1.00 0.00 N ATOM 114 CA SER A 858 -9.750 8.021 -9.016 1.00 0.00 C ATOM 115 C SER A 858 -10.580 9.207 -8.499 1.00 0.00 C ATOM 116 O SER A 858 -10.366 9.729 -7.403 1.00 0.00 O ATOM 117 CB SER A 858 -10.285 6.738 -8.362 1.00 0.00 C ATOM 118 OG SER A 858 -9.529 5.600 -8.757 1.00 0.00 O ATOM 0 H SER A 858 -7.919 7.266 -8.408 1.00 0.00 H new ATOM 0 HA SER A 858 -9.866 8.009 -10.100 1.00 0.00 H new ATOM 0 HB2 SER A 858 -10.252 6.840 -7.277 1.00 0.00 H new ATOM 0 HB3 SER A 858 -11.330 6.596 -8.637 1.00 0.00 H new ATOM 0 HG SER A 858 -9.892 4.800 -8.324 1.00 0.00 H new ATOM 124 N GLU A 859 -11.587 9.579 -9.289 1.00 0.00 N ATOM 125 CA GLU A 859 -12.612 10.594 -8.989 1.00 0.00 C ATOM 126 C GLU A 859 -14.022 10.059 -9.304 1.00 0.00 C ATOM 127 O GLU A 859 -14.171 9.086 -10.047 1.00 0.00 O ATOM 128 CB GLU A 859 -12.346 11.895 -9.772 1.00 0.00 C ATOM 129 CG GLU A 859 -11.025 12.582 -9.390 1.00 0.00 C ATOM 130 CD GLU A 859 -10.867 13.963 -10.066 1.00 0.00 C ATOM 131 OE1 GLU A 859 -11.738 14.850 -9.882 1.00 0.00 O ATOM 132 OE2 GLU A 859 -9.852 14.189 -10.773 1.00 0.00 O1- ATOM 0 H GLU A 859 -11.722 9.160 -10.209 1.00 0.00 H new ATOM 0 HA GLU A 859 -12.557 10.818 -7.924 1.00 0.00 H new ATOM 0 HB2 GLU A 859 -12.335 11.672 -10.839 1.00 0.00 H new ATOM 0 HB3 GLU A 859 -13.170 12.588 -9.600 1.00 0.00 H new ATOM 0 HG2 GLU A 859 -10.980 12.702 -8.308 1.00 0.00 H new ATOM 0 HG3 GLU A 859 -10.190 11.942 -9.675 1.00 0.00 H new ATOM 139 N PHE A 860 -15.063 10.697 -8.752 1.00 0.00 N ATOM 140 CA PHE A 860 -16.449 10.205 -8.769 1.00 0.00 C ATOM 141 C PHE A 860 -16.969 9.880 -10.181 1.00 0.00 C ATOM 142 O PHE A 860 -17.461 8.777 -10.403 1.00 0.00 O ATOM 143 CB PHE A 860 -17.363 11.227 -8.068 1.00 0.00 C ATOM 144 CG PHE A 860 -17.080 11.412 -6.587 1.00 0.00 C ATOM 145 CD1 PHE A 860 -16.115 12.341 -6.148 1.00 0.00 C ATOM 146 CD2 PHE A 860 -17.780 10.641 -5.638 1.00 0.00 C ATOM 147 CE1 PHE A 860 -15.831 12.471 -4.775 1.00 0.00 C ATOM 148 CE2 PHE A 860 -17.496 10.769 -4.267 1.00 0.00 C ATOM 149 CZ PHE A 860 -16.517 11.681 -3.835 1.00 0.00 C ATOM 0 H PHE A 860 -14.963 11.590 -8.270 1.00 0.00 H new ATOM 0 HA PHE A 860 -16.462 9.259 -8.228 1.00 0.00 H new ATOM 0 HB2 PHE A 860 -17.261 12.190 -8.568 1.00 0.00 H new ATOM 0 HB3 PHE A 860 -18.400 10.913 -8.191 1.00 0.00 H new ATOM 0 HD1 PHE A 860 -15.592 12.955 -6.867 1.00 0.00 H new ATOM 0 HD2 PHE A 860 -18.540 9.947 -5.966 1.00 0.00 H new ATOM 0 HE1 PHE A 860 -15.085 13.178 -4.443 1.00 0.00 H new ATOM 0 HE2 PHE A 860 -18.029 10.167 -3.546 1.00 0.00 H new ATOM 0 HZ PHE A 860 -16.292 11.775 -2.783 1.00 0.00 H new ATOM 159 N THR A 861 -16.809 10.789 -11.152 1.00 0.00 N ATOM 160 CA THR A 861 -17.204 10.566 -12.566 1.00 0.00 C ATOM 161 C THR A 861 -18.706 10.180 -12.693 1.00 0.00 C ATOM 162 O THR A 861 -19.507 10.483 -11.804 1.00 0.00 O ATOM 163 CB THR A 861 -16.213 9.577 -13.228 1.00 0.00 C ATOM 164 OG1 THR A 861 -14.878 9.900 -12.880 1.00 0.00 O ATOM 165 CG2 THR A 861 -16.224 9.547 -14.764 1.00 0.00 C ATOM 0 H THR A 861 -16.400 11.709 -10.986 1.00 0.00 H new ATOM 0 HA THR A 861 -17.129 11.498 -13.127 1.00 0.00 H new ATOM 0 HB THR A 861 -16.550 8.610 -12.855 1.00 0.00 H new ATOM 0 HG1 THR A 861 -14.698 9.604 -11.963 1.00 0.00 H new ATOM 0 HG21 THR A 861 -15.493 8.821 -15.119 1.00 0.00 H new ATOM 0 HG22 THR A 861 -17.216 9.264 -15.115 1.00 0.00 H new ATOM 0 HG23 THR A 861 -15.971 10.535 -15.149 1.00 0.00 H new ATOM 173 N GLU A 862 -19.137 9.558 -13.794 1.00 0.00 N ATOM 174 CA GLU A 862 -20.396 8.791 -13.882 1.00 0.00 C ATOM 175 C GLU A 862 -20.235 7.378 -13.257 1.00 0.00 C ATOM 176 O GLU A 862 -19.129 7.001 -12.859 1.00 0.00 O ATOM 177 CB GLU A 862 -20.834 8.749 -15.358 1.00 0.00 C ATOM 178 CG GLU A 862 -22.339 8.494 -15.535 1.00 0.00 C ATOM 179 CD GLU A 862 -22.853 8.832 -16.956 1.00 0.00 C ATOM 180 OE1 GLU A 862 -24.021 9.276 -17.081 1.00 0.00 O ATOM 181 OE2 GLU A 862 -22.115 8.653 -17.957 1.00 0.00 O1- ATOM 0 H GLU A 862 -18.615 9.570 -14.670 1.00 0.00 H new ATOM 0 HA GLU A 862 -21.180 9.278 -13.303 1.00 0.00 H new ATOM 0 HB2 GLU A 862 -20.573 9.694 -15.835 1.00 0.00 H new ATOM 0 HB3 GLU A 862 -20.276 7.967 -15.874 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -22.551 7.447 -15.319 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -22.890 9.088 -14.806 1.00 0.00 H new ATOM 188 N SER A 863 -21.315 6.585 -13.144 1.00 0.00 N ATOM 189 CA SER A 863 -21.249 5.210 -12.602 1.00 0.00 C ATOM 190 C SER A 863 -20.230 4.342 -13.361 1.00 0.00 C ATOM 191 O SER A 863 -20.122 4.418 -14.590 1.00 0.00 O ATOM 192 CB SER A 863 -22.629 4.537 -12.552 1.00 0.00 C ATOM 193 OG SER A 863 -23.092 4.116 -13.825 1.00 0.00 O ATOM 0 H SER A 863 -22.253 6.873 -13.423 1.00 0.00 H new ATOM 0 HA SER A 863 -20.900 5.301 -11.573 1.00 0.00 H new ATOM 0 HB2 SER A 863 -22.582 3.675 -11.886 1.00 0.00 H new ATOM 0 HB3 SER A 863 -23.350 5.232 -12.122 1.00 0.00 H new ATOM 0 HG SER A 863 -24.071 4.163 -13.849 1.00 0.00 H new ATOM 199 N ALA A 864 -19.451 3.549 -12.622 1.00 0.00 N ATOM 200 CA ALA A 864 -18.181 2.988 -13.102 1.00 0.00 C ATOM 201 C ALA A 864 -17.943 1.570 -12.563 1.00 0.00 C ATOM 202 O ALA A 864 -18.743 1.050 -11.792 1.00 0.00 O ATOM 203 CB ALA A 864 -17.064 3.962 -12.695 1.00 0.00 C ATOM 0 H ALA A 864 -19.683 3.275 -11.667 1.00 0.00 H new ATOM 0 HA ALA A 864 -18.201 2.882 -14.187 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -16.103 3.577 -13.036 1.00 0.00 H new ATOM 0 HB2 ALA A 864 -17.247 4.936 -13.150 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -17.049 4.065 -11.610 1.00 0.00 H new ATOM 209 N TRP A 865 -16.860 0.913 -12.966 1.00 0.00 N ATOM 210 CA TRP A 865 -16.463 -0.389 -12.415 1.00 0.00 C ATOM 211 C TRP A 865 -15.550 -0.263 -11.183 1.00 0.00 C ATOM 212 O TRP A 865 -15.144 0.833 -10.788 1.00 0.00 O ATOM 213 CB TRP A 865 -15.866 -1.244 -13.539 1.00 0.00 C ATOM 214 CG TRP A 865 -16.846 -1.516 -14.641 1.00 0.00 C ATOM 215 CD1 TRP A 865 -17.185 -0.644 -15.614 1.00 0.00 C ATOM 216 CD2 TRP A 865 -17.698 -2.686 -14.848 1.00 0.00 C ATOM 217 NE1 TRP A 865 -18.193 -1.172 -16.388 1.00 0.00 N ATOM 218 CE2 TRP A 865 -18.546 -2.439 -15.968 1.00 0.00 C ATOM 219 CE3 TRP A 865 -17.821 -3.943 -14.219 1.00 0.00 C ATOM 220 CZ2 TRP A 865 -19.457 -3.396 -16.442 1.00 0.00 C ATOM 221 CZ3 TRP A 865 -18.710 -4.924 -14.701 1.00 0.00 C ATOM 222 CH2 TRP A 865 -19.524 -4.652 -15.814 1.00 0.00 C ATOM 0 H TRP A 865 -16.228 1.265 -13.685 1.00 0.00 H new ATOM 0 HA TRP A 865 -17.347 -0.899 -12.033 1.00 0.00 H new ATOM 0 HB2 TRP A 865 -14.993 -0.737 -13.951 1.00 0.00 H new ATOM 0 HB3 TRP A 865 -15.519 -2.191 -13.125 1.00 0.00 H new ATOM 0 HD1 TRP A 865 -16.732 0.325 -15.763 1.00 0.00 H new ATOM 0 HE1 TRP A 865 -18.626 -0.687 -17.174 1.00 0.00 H new ATOM 0 HE3 TRP A 865 -17.220 -4.158 -13.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 865 -20.100 -3.170 -17.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 865 -18.766 -5.887 -14.214 1.00 0.00 H new ATOM 0 HH2 TRP A 865 -20.200 -5.407 -16.186 1.00 0.00 H new ATOM 233 N VAL A 866 -15.237 -1.409 -10.573 1.00 0.00 N ATOM 234 CA VAL A 866 -14.167 -1.600 -9.581 1.00 0.00 C ATOM 235 C VAL A 866 -13.623 -3.032 -9.655 1.00 0.00 C ATOM 236 O VAL A 866 -14.385 -3.963 -9.935 1.00 0.00 O ATOM 237 CB VAL A 866 -14.656 -1.229 -8.172 1.00 0.00 C ATOM 238 CG1 VAL A 866 -15.779 -2.141 -7.675 1.00 0.00 C ATOM 239 CG2 VAL A 866 -13.521 -1.243 -7.146 1.00 0.00 C ATOM 0 H VAL A 866 -15.745 -2.273 -10.764 1.00 0.00 H new ATOM 0 HA VAL A 866 -13.341 -0.927 -9.813 1.00 0.00 H new ATOM 0 HB VAL A 866 -15.046 -0.216 -8.266 1.00 0.00 H new ATOM 0 HG11 VAL A 866 -16.084 -1.831 -6.675 1.00 0.00 H new ATOM 0 HG12 VAL A 866 -16.631 -2.071 -8.352 1.00 0.00 H new ATOM 0 HG13 VAL A 866 -15.424 -3.171 -7.643 1.00 0.00 H new ATOM 0 HG21 VAL A 866 -13.914 -0.975 -6.165 1.00 0.00 H new ATOM 0 HG22 VAL A 866 -13.083 -2.240 -7.101 1.00 0.00 H new ATOM 0 HG23 VAL A 866 -12.756 -0.524 -7.440 1.00 0.00 H new ATOM 249 N ARG A 867 -12.309 -3.213 -9.442 1.00 0.00 N ATOM 250 CA ARG A 867 -11.664 -4.539 -9.363 1.00 0.00 C ATOM 251 C ARG A 867 -11.728 -5.116 -7.945 1.00 0.00 C ATOM 252 O ARG A 867 -11.513 -4.381 -6.982 1.00 0.00 O ATOM 253 CB ARG A 867 -10.192 -4.434 -9.802 1.00 0.00 C ATOM 254 CG ARG A 867 -9.689 -5.702 -10.518 1.00 0.00 C ATOM 255 CD ARG A 867 -8.266 -5.523 -11.078 1.00 0.00 C ATOM 256 NE ARG A 867 -7.239 -6.320 -10.368 1.00 0.00 N ATOM 257 CZ ARG A 867 -6.793 -6.181 -9.133 1.00 0.00 C ATOM 258 NH1 ARG A 867 -7.184 -5.218 -8.358 1.00 0.00 N1+ ATOM 259 NH2 ARG A 867 -5.919 -7.008 -8.642 1.00 0.00 N ATOM 0 H ARG A 867 -11.657 -2.438 -9.318 1.00 0.00 H new ATOM 0 HA ARG A 867 -12.207 -5.209 -10.030 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -10.076 -3.578 -10.466 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -9.570 -4.245 -8.927 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -9.702 -6.540 -9.822 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -10.370 -5.953 -11.331 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -8.263 -5.800 -12.132 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -7.995 -4.469 -11.025 1.00 0.00 H new ATOM 0 HE ARG A 867 -6.820 -7.079 -10.906 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -7.860 -4.533 -8.697 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -6.816 -5.145 -7.410 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -5.568 -7.777 -9.212 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -5.584 -6.888 -7.686 1.00 0.00 H new ATOM 273 N CYS A 868 -11.895 -6.431 -7.824 1.00 0.00 N ATOM 274 CA CYS A 868 -11.593 -7.169 -6.607 1.00 0.00 C ATOM 275 C CYS A 868 -10.069 -7.385 -6.454 1.00 0.00 C ATOM 276 O CYS A 868 -9.411 -7.947 -7.333 1.00 0.00 O ATOM 277 CB CYS A 868 -12.382 -8.480 -6.620 1.00 0.00 C ATOM 278 SG CYS A 868 -11.975 -9.453 -5.130 1.00 0.00 S ATOM 0 H CYS A 868 -12.248 -7.018 -8.580 1.00 0.00 H new ATOM 0 HA CYS A 868 -11.900 -6.596 -5.732 1.00 0.00 H new ATOM 0 HB2 CYS A 868 -13.452 -8.272 -6.650 1.00 0.00 H new ATOM 0 HB3 CYS A 868 -12.143 -9.052 -7.517 1.00 0.00 H new ATOM 283 N ASP A 869 -9.517 -6.952 -5.323 1.00 0.00 N ATOM 284 CA ASP A 869 -8.132 -7.219 -4.929 1.00 0.00 C ATOM 285 C ASP A 869 -7.888 -8.589 -4.269 1.00 0.00 C ATOM 286 O ASP A 869 -6.726 -8.981 -4.126 1.00 0.00 O ATOM 287 CB ASP A 869 -7.631 -6.061 -4.051 1.00 0.00 C ATOM 288 CG ASP A 869 -7.195 -4.892 -4.938 1.00 0.00 C ATOM 289 OD1 ASP A 869 -6.212 -5.090 -5.695 1.00 0.00 O ATOM 290 OD2 ASP A 869 -7.828 -3.815 -4.914 1.00 0.00 O1- ATOM 0 H ASP A 869 -10.029 -6.394 -4.639 1.00 0.00 H new ATOM 0 HA ASP A 869 -7.551 -7.277 -5.849 1.00 0.00 H new ATOM 0 HB2 ASP A 869 -8.420 -5.740 -3.371 1.00 0.00 H new ATOM 0 HB3 ASP A 869 -6.796 -6.394 -3.435 1.00 0.00 H new ATOM 295 N ASP A 870 -8.934 -9.337 -3.904 1.00 0.00 N ATOM 296 CA ASP A 870 -8.797 -10.695 -3.349 1.00 0.00 C ATOM 297 C ASP A 870 -8.735 -11.767 -4.459 1.00 0.00 C ATOM 298 O ASP A 870 -8.036 -12.774 -4.315 1.00 0.00 O ATOM 299 CB ASP A 870 -9.936 -10.980 -2.354 1.00 0.00 C ATOM 300 CG ASP A 870 -9.673 -12.160 -1.389 1.00 0.00 C ATOM 301 OD1 ASP A 870 -10.651 -12.669 -0.789 1.00 0.00 O ATOM 302 OD2 ASP A 870 -8.503 -12.550 -1.157 1.00 0.00 O1- ATOM 0 H ASP A 870 -9.901 -9.022 -3.983 1.00 0.00 H new ATOM 0 HA ASP A 870 -7.849 -10.746 -2.813 1.00 0.00 H new ATOM 0 HB2 ASP A 870 -10.119 -10.081 -1.765 1.00 0.00 H new ATOM 0 HB3 ASP A 870 -10.848 -11.184 -2.915 1.00 0.00 H new ATOM 307 N CYS A 871 -9.401 -11.511 -5.596 1.00 0.00 N ATOM 308 CA CYS A 871 -9.189 -12.203 -6.862 1.00 0.00 C ATOM 309 C CYS A 871 -8.704 -11.221 -7.969 1.00 0.00 C ATOM 310 O CYS A 871 -7.525 -10.861 -8.015 1.00 0.00 O ATOM 311 CB CYS A 871 -10.399 -13.134 -7.167 1.00 0.00 C ATOM 312 SG CYS A 871 -11.990 -12.354 -7.646 1.00 0.00 S ATOM 0 H CYS A 871 -10.123 -10.793 -5.654 1.00 0.00 H new ATOM 0 HA CYS A 871 -8.351 -12.898 -6.809 1.00 0.00 H new ATOM 0 HB2 CYS A 871 -10.105 -13.811 -7.969 1.00 0.00 H new ATOM 0 HB3 CYS A 871 -10.580 -13.746 -6.283 1.00 0.00 H new ATOM 317 N PHE A 872 -9.621 -10.812 -8.844 1.00 0.00 N ATOM 318 CA PHE A 872 -9.422 -9.927 -10.010 1.00 0.00 C ATOM 319 C PHE A 872 -10.725 -9.465 -10.704 1.00 0.00 C ATOM 320 O PHE A 872 -10.681 -8.593 -11.573 1.00 0.00 O ATOM 321 CB PHE A 872 -8.559 -10.637 -11.066 1.00 0.00 C ATOM 322 CG PHE A 872 -9.216 -11.799 -11.794 1.00 0.00 C ATOM 323 CD1 PHE A 872 -9.673 -11.633 -13.118 1.00 0.00 C ATOM 324 CD2 PHE A 872 -9.358 -13.051 -11.164 1.00 0.00 C ATOM 325 CE1 PHE A 872 -10.276 -12.708 -13.798 1.00 0.00 C ATOM 326 CE2 PHE A 872 -9.969 -14.121 -11.841 1.00 0.00 C ATOM 327 CZ PHE A 872 -10.429 -13.949 -13.158 1.00 0.00 C ATOM 0 H PHE A 872 -10.594 -11.106 -8.758 1.00 0.00 H new ATOM 0 HA PHE A 872 -8.937 -9.038 -9.606 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -8.247 -9.900 -11.806 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -7.655 -11.003 -10.580 1.00 0.00 H new ATOM 0 HD1 PHE A 872 -9.560 -10.679 -13.611 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -8.996 -13.190 -10.156 1.00 0.00 H new ATOM 0 HE1 PHE A 872 -10.621 -12.578 -14.813 1.00 0.00 H new ATOM 0 HE2 PHE A 872 -10.085 -15.075 -11.349 1.00 0.00 H new ATOM 0 HZ PHE A 872 -10.900 -14.770 -13.678 1.00 0.00 H new ATOM 337 N LYS A 873 -11.869 -10.071 -10.359 1.00 0.00 N ATOM 338 CA LYS A 873 -13.212 -9.819 -10.914 1.00 0.00 C ATOM 339 C LYS A 873 -13.618 -8.342 -10.940 1.00 0.00 C ATOM 340 O LYS A 873 -13.130 -7.541 -10.144 1.00 0.00 O ATOM 341 CB LYS A 873 -14.229 -10.600 -10.083 1.00 0.00 C ATOM 342 CG LYS A 873 -15.553 -10.793 -10.833 1.00 0.00 C ATOM 343 CD LYS A 873 -16.208 -12.110 -10.433 1.00 0.00 C ATOM 344 CE LYS A 873 -16.683 -12.051 -8.977 1.00 0.00 C ATOM 345 NZ LYS A 873 -16.527 -13.359 -8.307 1.00 0.00 N1+ ATOM 0 H LYS A 873 -11.886 -10.795 -9.641 1.00 0.00 H new ATOM 0 HA LYS A 873 -13.189 -10.144 -11.954 1.00 0.00 H new ATOM 0 HB2 LYS A 873 -13.814 -11.574 -9.823 1.00 0.00 H new ATOM 0 HB3 LYS A 873 -14.415 -10.072 -9.148 1.00 0.00 H new ATOM 0 HG2 LYS A 873 -16.226 -9.964 -10.613 1.00 0.00 H new ATOM 0 HG3 LYS A 873 -15.373 -10.781 -11.908 1.00 0.00 H new ATOM 0 HD2 LYS A 873 -17.053 -12.317 -11.090 1.00 0.00 H new ATOM 0 HD3 LYS A 873 -15.499 -12.929 -10.558 1.00 0.00 H new ATOM 0 HE2 LYS A 873 -16.114 -11.294 -8.437 1.00 0.00 H new ATOM 0 HE3 LYS A 873 -17.729 -11.747 -8.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 873 -16.949 -13.315 -7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 873 -17.006 -14.094 -8.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 873 -15.516 -13.589 -8.226 1.00 0.00 H new ATOM 359 N TRP A 874 -14.581 -8.010 -11.798 1.00 0.00 N ATOM 360 CA TRP A 874 -15.131 -6.663 -11.943 1.00 0.00 C ATOM 361 C TRP A 874 -16.604 -6.569 -11.517 1.00 0.00 C ATOM 362 O TRP A 874 -17.366 -7.526 -11.673 1.00 0.00 O ATOM 363 CB TRP A 874 -14.934 -6.209 -13.393 1.00 0.00 C ATOM 364 CG TRP A 874 -13.514 -6.261 -13.860 1.00 0.00 C ATOM 365 CD1 TRP A 874 -12.918 -7.272 -14.533 1.00 0.00 C ATOM 366 CD2 TRP A 874 -12.461 -5.294 -13.588 1.00 0.00 C ATOM 367 NE1 TRP A 874 -11.572 -6.991 -14.691 1.00 0.00 N ATOM 368 CE2 TRP A 874 -11.243 -5.782 -14.138 1.00 0.00 C ATOM 369 CE3 TRP A 874 -12.411 -4.060 -12.916 1.00 0.00 C ATOM 370 CZ2 TRP A 874 -10.036 -5.084 -14.049 1.00 0.00 C ATOM 371 CZ3 TRP A 874 -11.190 -3.378 -12.777 1.00 0.00 C ATOM 372 CH2 TRP A 874 -10.009 -3.864 -13.357 1.00 0.00 C ATOM 0 H TRP A 874 -15.011 -8.687 -12.428 1.00 0.00 H new ATOM 0 HA TRP A 874 -14.594 -5.996 -11.269 1.00 0.00 H new ATOM 0 HB2 TRP A 874 -15.543 -6.835 -14.045 1.00 0.00 H new ATOM 0 HB3 TRP A 874 -15.302 -5.188 -13.496 1.00 0.00 H new ATOM 0 HD1 TRP A 874 -13.416 -8.161 -14.892 1.00 0.00 H new ATOM 0 HE1 TRP A 874 -10.908 -7.607 -15.160 1.00 0.00 H new ATOM 0 HE3 TRP A 874 -13.315 -3.634 -12.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 874 -9.139 -5.477 -14.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 874 -11.160 -2.459 -12.211 1.00 0.00 H new ATOM 0 HH2 TRP A 874 -9.089 -3.305 -13.272 1.00 0.00 H new ATOM 383 N ARG A 875 -17.016 -5.393 -11.025 1.00 0.00 N ATOM 384 CA ARG A 875 -18.403 -5.047 -10.642 1.00 0.00 C ATOM 385 C ARG A 875 -18.723 -3.596 -10.998 1.00 0.00 C ATOM 386 O ARG A 875 -17.899 -2.721 -10.745 1.00 0.00 O ATOM 387 CB ARG A 875 -18.606 -5.257 -9.125 1.00 0.00 C ATOM 388 CG ARG A 875 -18.716 -6.724 -8.673 1.00 0.00 C ATOM 389 CD ARG A 875 -19.856 -7.511 -9.330 1.00 0.00 C ATOM 390 NE ARG A 875 -21.164 -6.826 -9.222 1.00 0.00 N ATOM 391 CZ ARG A 875 -22.200 -7.016 -10.020 1.00 0.00 C ATOM 392 NH1 ARG A 875 -22.199 -7.915 -10.953 1.00 0.00 N1+ ATOM 393 NH2 ARG A 875 -23.286 -6.319 -9.925 1.00 0.00 N ATOM 0 H ARG A 875 -16.369 -4.619 -10.874 1.00 0.00 H new ATOM 0 HA ARG A 875 -19.076 -5.702 -11.195 1.00 0.00 H new ATOM 0 HB2 ARG A 875 -17.774 -4.793 -8.596 1.00 0.00 H new ATOM 0 HB3 ARG A 875 -19.511 -4.731 -8.820 1.00 0.00 H new ATOM 0 HG2 ARG A 875 -17.774 -7.228 -8.887 1.00 0.00 H new ATOM 0 HG3 ARG A 875 -18.852 -6.748 -7.592 1.00 0.00 H new ATOM 0 HD2 ARG A 875 -19.621 -7.671 -10.382 1.00 0.00 H new ATOM 0 HD3 ARG A 875 -19.927 -8.495 -8.866 1.00 0.00 H new ATOM 0 HE ARG A 875 -21.275 -6.149 -8.467 1.00 0.00 H new ATOM 0 HH11 ARG A 875 -21.379 -8.506 -11.091 1.00 0.00 H new ATOM 0 HH12 ARG A 875 -23.018 -8.032 -11.549 1.00 0.00 H new ATOM 0 HH21 ARG A 875 -23.365 -5.592 -9.214 1.00 0.00 H new ATOM 0 HH22 ARG A 875 -24.064 -6.497 -10.561 1.00 0.00 H new ATOM 407 N ARG A 876 -19.911 -3.337 -11.560 1.00 0.00 N ATOM 408 CA ARG A 876 -20.429 -1.992 -11.888 1.00 0.00 C ATOM 409 C ARG A 876 -21.080 -1.369 -10.646 1.00 0.00 C ATOM 410 O ARG A 876 -22.144 -1.807 -10.209 1.00 0.00 O ATOM 411 CB ARG A 876 -21.377 -2.097 -13.101 1.00 0.00 C ATOM 412 CG ARG A 876 -21.572 -0.785 -13.891 1.00 0.00 C ATOM 413 CD ARG A 876 -22.049 0.424 -13.073 1.00 0.00 C ATOM 414 NE ARG A 876 -23.282 0.122 -12.309 1.00 0.00 N ATOM 415 CZ ARG A 876 -24.448 0.741 -12.346 1.00 0.00 C ATOM 416 NH1 ARG A 876 -24.665 1.825 -13.035 1.00 0.00 N1+ ATOM 417 NH2 ARG A 876 -25.449 0.265 -11.663 1.00 0.00 N ATOM 0 H ARG A 876 -20.564 -4.080 -11.809 1.00 0.00 H new ATOM 0 HA ARG A 876 -19.621 -1.320 -12.176 1.00 0.00 H new ATOM 0 HB2 ARG A 876 -20.992 -2.858 -13.779 1.00 0.00 H new ATOM 0 HB3 ARG A 876 -22.351 -2.443 -12.754 1.00 0.00 H new ATOM 0 HG2 ARG A 876 -20.627 -0.527 -14.368 1.00 0.00 H new ATOM 0 HG3 ARG A 876 -22.292 -0.967 -14.689 1.00 0.00 H new ATOM 0 HD2 ARG A 876 -21.261 0.730 -12.385 1.00 0.00 H new ATOM 0 HD3 ARG A 876 -22.233 1.265 -13.742 1.00 0.00 H new ATOM 0 HE ARG A 876 -23.222 -0.670 -11.669 1.00 0.00 H new ATOM 0 HH11 ARG A 876 -23.912 2.239 -13.584 1.00 0.00 H new ATOM 0 HH12 ARG A 876 -25.588 2.259 -13.025 1.00 0.00 H new ATOM 0 HH21 ARG A 876 -25.329 -0.580 -11.105 1.00 0.00 H new ATOM 0 HH22 ARG A 876 -26.353 0.737 -11.686 1.00 0.00 H new ATOM 431 N ILE A 877 -20.455 -0.321 -10.121 1.00 0.00 N ATOM 432 CA ILE A 877 -20.821 0.433 -8.914 1.00 0.00 C ATOM 433 C ILE A 877 -21.266 1.867 -9.257 1.00 0.00 C ATOM 434 O ILE A 877 -20.896 2.401 -10.308 1.00 0.00 O ATOM 435 CB ILE A 877 -19.624 0.439 -7.931 1.00 0.00 C ATOM 436 CG1 ILE A 877 -18.432 1.272 -8.465 1.00 0.00 C ATOM 437 CG2 ILE A 877 -19.225 -1.012 -7.609 1.00 0.00 C ATOM 438 CD1 ILE A 877 -17.270 1.408 -7.479 1.00 0.00 C ATOM 0 H ILE A 877 -19.614 0.057 -10.557 1.00 0.00 H new ATOM 0 HA ILE A 877 -21.671 -0.056 -8.439 1.00 0.00 H new ATOM 0 HB ILE A 877 -19.931 0.930 -7.007 1.00 0.00 H new ATOM 0 HG12 ILE A 877 -18.064 0.812 -9.382 1.00 0.00 H new ATOM 0 HG13 ILE A 877 -18.788 2.268 -8.729 1.00 0.00 H new ATOM 0 HG21 ILE A 877 -18.383 -1.013 -6.917 1.00 0.00 H new ATOM 0 HG22 ILE A 877 -20.069 -1.529 -7.153 1.00 0.00 H new ATOM 0 HG23 ILE A 877 -18.940 -1.524 -8.528 1.00 0.00 H new ATOM 0 HD11 ILE A 877 -16.478 2.005 -7.931 1.00 0.00 H new ATOM 0 HD12 ILE A 877 -17.620 1.897 -6.570 1.00 0.00 H new ATOM 0 HD13 ILE A 877 -16.884 0.419 -7.233 1.00 0.00 H new ATOM 450 N PRO A 878 -22.013 2.552 -8.377 1.00 0.00 N ATOM 451 CA PRO A 878 -22.233 3.983 -8.525 1.00 0.00 C ATOM 452 C PRO A 878 -20.957 4.792 -8.250 1.00 0.00 C ATOM 453 O PRO A 878 -20.118 4.440 -7.415 1.00 0.00 O ATOM 454 CB PRO A 878 -23.355 4.320 -7.537 1.00 0.00 C ATOM 455 CG PRO A 878 -23.147 3.297 -6.420 1.00 0.00 C ATOM 456 CD PRO A 878 -22.673 2.054 -7.175 1.00 0.00 C ATOM 0 HA PRO A 878 -22.509 4.244 -9.547 1.00 0.00 H new ATOM 0 HB2 PRO A 878 -23.275 5.343 -7.168 1.00 0.00 H new ATOM 0 HB3 PRO A 878 -24.339 4.223 -7.995 1.00 0.00 H new ATOM 0 HG2 PRO A 878 -22.407 3.636 -5.695 1.00 0.00 H new ATOM 0 HG3 PRO A 878 -24.068 3.108 -5.869 1.00 0.00 H new ATOM 0 HD2 PRO A 878 -21.987 1.464 -6.567 1.00 0.00 H new ATOM 0 HD3 PRO A 878 -23.512 1.406 -7.429 1.00 0.00 H new ATOM 464 N ALA A 879 -20.864 5.940 -8.917 1.00 0.00 N ATOM 465 CA ALA A 879 -19.839 6.971 -8.733 1.00 0.00 C ATOM 466 C ALA A 879 -19.554 7.342 -7.265 1.00 0.00 C ATOM 467 O ALA A 879 -18.407 7.603 -6.901 1.00 0.00 O ATOM 468 CB ALA A 879 -20.354 8.209 -9.477 1.00 0.00 C ATOM 0 H ALA A 879 -21.537 6.192 -9.640 1.00 0.00 H new ATOM 0 HA ALA A 879 -18.892 6.587 -9.114 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -19.632 9.019 -9.378 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -20.489 7.970 -10.532 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -21.308 8.519 -9.050 1.00 0.00 H new ATOM 474 N SER A 880 -20.576 7.306 -6.408 1.00 0.00 N ATOM 475 CA SER A 880 -20.482 7.593 -4.967 1.00 0.00 C ATOM 476 C SER A 880 -19.503 6.661 -4.241 1.00 0.00 C ATOM 477 O SER A 880 -18.891 7.061 -3.250 1.00 0.00 O ATOM 478 CB SER A 880 -21.866 7.457 -4.320 1.00 0.00 C ATOM 479 OG SER A 880 -22.823 8.247 -5.013 1.00 0.00 O ATOM 0 H SER A 880 -21.523 7.069 -6.702 1.00 0.00 H new ATOM 0 HA SER A 880 -20.107 8.612 -4.871 1.00 0.00 H new ATOM 0 HB2 SER A 880 -22.176 6.412 -4.327 1.00 0.00 H new ATOM 0 HB3 SER A 880 -21.817 7.768 -3.276 1.00 0.00 H new ATOM 0 HG SER A 880 -23.700 8.146 -4.587 1.00 0.00 H new ATOM 485 N VAL A 881 -19.321 5.436 -4.753 1.00 0.00 N ATOM 486 CA VAL A 881 -18.321 4.476 -4.270 1.00 0.00 C ATOM 487 C VAL A 881 -17.023 4.584 -5.061 1.00 0.00 C ATOM 488 O VAL A 881 -15.952 4.529 -4.458 1.00 0.00 O ATOM 489 CB VAL A 881 -18.889 3.039 -4.261 1.00 0.00 C ATOM 490 CG1 VAL A 881 -17.887 1.993 -3.753 1.00 0.00 C ATOM 491 CG2 VAL A 881 -20.131 2.944 -3.363 1.00 0.00 C ATOM 0 H VAL A 881 -19.876 5.078 -5.530 1.00 0.00 H new ATOM 0 HA VAL A 881 -18.079 4.728 -3.237 1.00 0.00 H new ATOM 0 HB VAL A 881 -19.131 2.825 -5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 881 -18.350 1.006 -3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 881 -17.005 1.993 -4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 881 -17.594 2.236 -2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 881 -20.511 1.922 -3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 881 -19.864 3.221 -2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 881 -20.900 3.621 -3.733 1.00 0.00 H new ATOM 501 N VAL A 882 -17.071 4.831 -6.376 1.00 0.00 N ATOM 502 CA VAL A 882 -15.826 4.916 -7.176 1.00 0.00 C ATOM 503 C VAL A 882 -14.947 6.120 -6.796 1.00 0.00 C ATOM 504 O VAL A 882 -13.736 6.097 -7.006 1.00 0.00 O ATOM 505 CB VAL A 882 -16.071 4.825 -8.696 1.00 0.00 C ATOM 506 CG1 VAL A 882 -16.185 6.187 -9.379 1.00 0.00 C ATOM 507 CG2 VAL A 882 -14.922 4.072 -9.384 1.00 0.00 C ATOM 0 H VAL A 882 -17.931 4.973 -6.905 1.00 0.00 H new ATOM 0 HA VAL A 882 -15.255 4.026 -6.910 1.00 0.00 H new ATOM 0 HB VAL A 882 -17.020 4.300 -8.800 1.00 0.00 H new ATOM 0 HG11 VAL A 882 -16.357 6.046 -10.446 1.00 0.00 H new ATOM 0 HG12 VAL A 882 -17.018 6.742 -8.948 1.00 0.00 H new ATOM 0 HG13 VAL A 882 -15.261 6.747 -9.231 1.00 0.00 H new ATOM 0 HG21 VAL A 882 -15.113 4.018 -10.456 1.00 0.00 H new ATOM 0 HG22 VAL A 882 -13.985 4.600 -9.208 1.00 0.00 H new ATOM 0 HG23 VAL A 882 -14.852 3.063 -8.977 1.00 0.00 H new ATOM 517 N GLY A 883 -15.550 7.152 -6.195 1.00 0.00 N ATOM 518 CA GLY A 883 -14.848 8.313 -5.629 1.00 0.00 C ATOM 519 C GLY A 883 -14.313 8.103 -4.202 1.00 0.00 C ATOM 520 O GLY A 883 -13.426 8.839 -3.766 1.00 0.00 O ATOM 0 H GLY A 883 -16.563 7.206 -6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 883 -14.014 8.571 -6.282 1.00 0.00 H new ATOM 0 HA3 GLY A 883 -15.526 9.166 -5.627 1.00 0.00 H new ATOM 524 N SER A 884 -14.829 7.102 -3.477 1.00 0.00 N ATOM 525 CA SER A 884 -14.328 6.674 -2.157 1.00 0.00 C ATOM 526 C SER A 884 -13.163 5.675 -2.288 1.00 0.00 C ATOM 527 O SER A 884 -12.149 5.786 -1.593 1.00 0.00 O ATOM 528 CB SER A 884 -15.485 6.061 -1.357 1.00 0.00 C ATOM 529 OG SER A 884 -15.057 5.684 -0.058 1.00 0.00 O ATOM 0 H SER A 884 -15.626 6.552 -3.797 1.00 0.00 H new ATOM 0 HA SER A 884 -13.940 7.546 -1.630 1.00 0.00 H new ATOM 0 HB2 SER A 884 -16.301 6.779 -1.281 1.00 0.00 H new ATOM 0 HB3 SER A 884 -15.875 5.190 -1.883 1.00 0.00 H new ATOM 0 HG SER A 884 -15.810 5.297 0.435 1.00 0.00 H new ATOM 535 N ILE A 885 -13.286 4.735 -3.231 1.00 0.00 N ATOM 536 CA ILE A 885 -12.226 3.834 -3.703 1.00 0.00 C ATOM 537 C ILE A 885 -11.144 4.657 -4.443 1.00 0.00 C ATOM 538 O ILE A 885 -11.390 5.765 -4.923 1.00 0.00 O ATOM 539 CB ILE A 885 -12.885 2.704 -4.545 1.00 0.00 C ATOM 540 CG1 ILE A 885 -13.488 1.556 -3.689 1.00 0.00 C ATOM 541 CG2 ILE A 885 -11.953 2.026 -5.562 1.00 0.00 C ATOM 542 CD1 ILE A 885 -14.424 1.991 -2.553 1.00 0.00 C ATOM 0 H ILE A 885 -14.171 4.573 -3.711 1.00 0.00 H new ATOM 0 HA ILE A 885 -11.702 3.342 -2.883 1.00 0.00 H new ATOM 0 HB ILE A 885 -13.666 3.256 -5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 885 -14.037 0.885 -4.350 1.00 0.00 H new ATOM 0 HG13 ILE A 885 -12.669 0.980 -3.259 1.00 0.00 H new ATOM 0 HG21 ILE A 885 -12.502 1.253 -6.100 1.00 0.00 H new ATOM 0 HG22 ILE A 885 -11.585 2.769 -6.270 1.00 0.00 H new ATOM 0 HG23 ILE A 885 -11.110 1.575 -5.039 1.00 0.00 H new ATOM 0 HD11 ILE A 885 -14.786 1.110 -2.022 1.00 0.00 H new ATOM 0 HD12 ILE A 885 -13.881 2.634 -1.860 1.00 0.00 H new ATOM 0 HD13 ILE A 885 -15.271 2.538 -2.968 1.00 0.00 H new ATOM 554 N ASP A 886 -9.922 4.125 -4.509 1.00 0.00 N ATOM 555 CA ASP A 886 -8.748 4.773 -5.113 1.00 0.00 C ATOM 556 C ASP A 886 -7.784 3.742 -5.710 1.00 0.00 C ATOM 557 O ASP A 886 -7.899 2.537 -5.466 1.00 0.00 O ATOM 558 CB ASP A 886 -8.007 5.612 -4.046 1.00 0.00 C ATOM 559 CG ASP A 886 -7.239 6.843 -4.578 1.00 0.00 C ATOM 560 OD1 ASP A 886 -6.764 7.649 -3.742 1.00 0.00 O ATOM 561 OD2 ASP A 886 -7.088 7.014 -5.811 1.00 0.00 O1- ATOM 0 H ASP A 886 -9.712 3.201 -4.132 1.00 0.00 H new ATOM 0 HA ASP A 886 -9.099 5.419 -5.918 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -8.734 5.951 -3.308 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -7.302 4.964 -3.525 1.00 0.00 H new ATOM 566 N GLU A 887 -6.751 4.234 -6.391 1.00 0.00 N ATOM 567 CA GLU A 887 -5.578 3.469 -6.818 1.00 0.00 C ATOM 568 C GLU A 887 -4.990 2.641 -5.656 1.00 0.00 C ATOM 569 O GLU A 887 -4.642 1.474 -5.844 1.00 0.00 O ATOM 570 CB GLU A 887 -4.534 4.461 -7.371 1.00 0.00 C ATOM 571 CG GLU A 887 -3.290 3.778 -7.962 1.00 0.00 C ATOM 572 CD GLU A 887 -2.074 4.724 -8.062 1.00 0.00 C ATOM 573 OE1 GLU A 887 -2.192 5.834 -8.635 1.00 0.00 O ATOM 574 OE2 GLU A 887 -0.978 4.343 -7.579 1.00 0.00 O1- ATOM 0 H GLU A 887 -6.705 5.213 -6.672 1.00 0.00 H new ATOM 0 HA GLU A 887 -5.868 2.759 -7.593 1.00 0.00 H new ATOM 0 HB2 GLU A 887 -5.001 5.076 -8.140 1.00 0.00 H new ATOM 0 HB3 GLU A 887 -4.224 5.133 -6.571 1.00 0.00 H new ATOM 0 HG2 GLU A 887 -3.026 2.919 -7.345 1.00 0.00 H new ATOM 0 HG3 GLU A 887 -3.529 3.396 -8.954 1.00 0.00 H new ATOM 581 N SER A 888 -4.943 3.222 -4.449 1.00 0.00 N ATOM 582 CA SER A 888 -4.329 2.627 -3.249 1.00 0.00 C ATOM 583 C SER A 888 -5.277 1.747 -2.417 1.00 0.00 C ATOM 584 O SER A 888 -4.809 0.966 -1.583 1.00 0.00 O ATOM 585 CB SER A 888 -3.782 3.757 -2.370 1.00 0.00 C ATOM 586 OG SER A 888 -4.830 4.633 -1.981 1.00 0.00 O ATOM 0 H SER A 888 -5.342 4.144 -4.273 1.00 0.00 H new ATOM 0 HA SER A 888 -3.539 1.963 -3.599 1.00 0.00 H new ATOM 0 HB2 SER A 888 -3.302 3.338 -1.485 1.00 0.00 H new ATOM 0 HB3 SER A 888 -3.018 4.312 -2.914 1.00 0.00 H new ATOM 0 HG SER A 888 -4.466 5.349 -1.419 1.00 0.00 H new ATOM 592 N SER A 889 -6.596 1.853 -2.620 1.00 0.00 N ATOM 593 CA SER A 889 -7.602 1.090 -1.861 1.00 0.00 C ATOM 594 C SER A 889 -7.666 -0.384 -2.287 1.00 0.00 C ATOM 595 O SER A 889 -7.257 -0.739 -3.397 1.00 0.00 O ATOM 596 CB SER A 889 -8.974 1.760 -1.975 1.00 0.00 C ATOM 597 OG SER A 889 -9.899 1.139 -1.098 1.00 0.00 O ATOM 0 H SER A 889 -7.001 2.474 -3.320 1.00 0.00 H new ATOM 0 HA SER A 889 -7.295 1.095 -0.815 1.00 0.00 H new ATOM 0 HB2 SER A 889 -8.890 2.820 -1.735 1.00 0.00 H new ATOM 0 HB3 SER A 889 -9.335 1.694 -3.001 1.00 0.00 H new ATOM 0 HG SER A 889 -10.772 1.577 -1.179 1.00 0.00 H new ATOM 603 N ARG A 890 -8.206 -1.241 -1.410 1.00 0.00 N ATOM 604 CA ARG A 890 -8.379 -2.693 -1.606 1.00 0.00 C ATOM 605 C ARG A 890 -9.852 -3.092 -1.475 1.00 0.00 C ATOM 606 O ARG A 890 -10.302 -3.563 -0.429 1.00 0.00 O ATOM 607 CB ARG A 890 -7.447 -3.484 -0.671 1.00 0.00 C ATOM 608 CG ARG A 890 -5.964 -3.282 -1.025 1.00 0.00 C ATOM 609 CD ARG A 890 -5.070 -4.178 -0.162 1.00 0.00 C ATOM 610 NE ARG A 890 -3.643 -3.990 -0.493 1.00 0.00 N ATOM 611 CZ ARG A 890 -2.624 -4.674 -0.004 1.00 0.00 C ATOM 612 NH1 ARG A 890 -2.784 -5.634 0.865 1.00 0.00 N1+ ATOM 613 NH2 ARG A 890 -1.407 -4.405 -0.383 1.00 0.00 N ATOM 0 H ARG A 890 -8.551 -0.930 -0.502 1.00 0.00 H new ATOM 0 HA ARG A 890 -8.085 -2.951 -2.623 1.00 0.00 H new ATOM 0 HB2 ARG A 890 -7.619 -3.173 0.359 1.00 0.00 H new ATOM 0 HB3 ARG A 890 -7.692 -4.545 -0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 890 -5.803 -3.508 -2.079 1.00 0.00 H new ATOM 0 HG3 ARG A 890 -5.690 -2.237 -0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 890 -5.234 -3.952 0.892 1.00 0.00 H new ATOM 0 HD3 ARG A 890 -5.346 -5.222 -0.311 1.00 0.00 H new ATOM 0 HE ARG A 890 -3.422 -3.258 -1.168 1.00 0.00 H new ATOM 0 HH11 ARG A 890 -3.720 -5.878 1.189 1.00 0.00 H new ATOM 0 HH12 ARG A 890 -1.973 -6.140 1.221 1.00 0.00 H new ATOM 0 HH21 ARG A 890 -1.236 -3.662 -1.061 1.00 0.00 H new ATOM 0 HH22 ARG A 890 -0.625 -4.937 -0.002 1.00 0.00 H new ATOM 627 N TRP A 891 -10.607 -2.862 -2.546 1.00 0.00 N ATOM 628 CA TRP A 891 -12.012 -3.267 -2.686 1.00 0.00 C ATOM 629 C TRP A 891 -12.094 -4.767 -3.029 1.00 0.00 C ATOM 630 O TRP A 891 -11.251 -5.251 -3.786 1.00 0.00 O ATOM 631 CB TRP A 891 -12.663 -2.383 -3.755 1.00 0.00 C ATOM 632 CG TRP A 891 -14.143 -2.519 -3.911 1.00 0.00 C ATOM 633 CD1 TRP A 891 -15.037 -1.640 -3.416 1.00 0.00 C ATOM 634 CD2 TRP A 891 -14.934 -3.549 -4.581 1.00 0.00 C ATOM 635 NE1 TRP A 891 -16.314 -1.997 -3.780 1.00 0.00 N ATOM 636 CE2 TRP A 891 -16.315 -3.189 -4.476 1.00 0.00 C ATOM 637 CE3 TRP A 891 -14.630 -4.750 -5.257 1.00 0.00 C ATOM 638 CZ2 TRP A 891 -17.338 -3.986 -5.001 1.00 0.00 C ATOM 639 CZ3 TRP A 891 -15.653 -5.567 -5.777 1.00 0.00 C ATOM 640 CH2 TRP A 891 -16.999 -5.189 -5.639 1.00 0.00 C ATOM 0 H TRP A 891 -10.252 -2.374 -3.368 1.00 0.00 H new ATOM 0 HA TRP A 891 -12.555 -3.130 -1.751 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -12.437 -1.342 -3.523 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -12.195 -2.605 -4.714 1.00 0.00 H new ATOM 0 HD1 TRP A 891 -14.786 -0.777 -2.818 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -17.150 -1.453 -3.564 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -13.599 -5.047 -5.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -18.371 -3.681 -4.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -15.402 -6.487 -6.284 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -17.778 -5.829 -6.027 1.00 0.00 H new ATOM 651 N ILE A 892 -13.066 -5.519 -2.489 1.00 0.00 N ATOM 652 CA ILE A 892 -13.207 -6.970 -2.738 1.00 0.00 C ATOM 653 C ILE A 892 -14.668 -7.426 -2.907 1.00 0.00 C ATOM 654 O ILE A 892 -15.588 -6.772 -2.403 1.00 0.00 O ATOM 655 CB ILE A 892 -12.507 -7.791 -1.628 1.00 0.00 C ATOM 656 CG1 ILE A 892 -13.238 -7.673 -0.274 1.00 0.00 C ATOM 657 CG2 ILE A 892 -11.018 -7.419 -1.482 1.00 0.00 C ATOM 658 CD1 ILE A 892 -12.884 -8.804 0.693 1.00 0.00 C ATOM 0 H ILE A 892 -13.780 -5.141 -1.866 1.00 0.00 H new ATOM 0 HA ILE A 892 -12.714 -7.160 -3.691 1.00 0.00 H new ATOM 0 HB ILE A 892 -12.556 -8.834 -1.942 1.00 0.00 H new ATOM 0 HG12 ILE A 892 -12.988 -6.717 0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 892 -14.314 -7.673 -0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 892 -10.569 -8.020 -0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 892 -10.501 -7.611 -2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 892 -10.930 -6.363 -1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 892 -13.428 -8.667 1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 892 -13.159 -9.761 0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 892 -11.812 -8.791 0.892 1.00 0.00 H new ATOM 670 N CYS A 893 -14.878 -8.605 -3.509 1.00 0.00 N ATOM 671 CA CYS A 893 -16.184 -9.249 -3.628 1.00 0.00 C ATOM 672 C CYS A 893 -16.964 -9.324 -2.290 1.00 0.00 C ATOM 673 O CYS A 893 -18.159 -9.042 -2.279 1.00 0.00 O ATOM 674 CB CYS A 893 -16.036 -10.650 -4.245 1.00 0.00 C ATOM 675 SG CYS A 893 -15.339 -10.678 -5.931 1.00 0.00 S ATOM 0 H CYS A 893 -14.125 -9.145 -3.935 1.00 0.00 H new ATOM 0 HA CYS A 893 -16.777 -8.618 -4.289 1.00 0.00 H new ATOM 0 HB2 CYS A 893 -15.401 -11.252 -3.595 1.00 0.00 H new ATOM 0 HB3 CYS A 893 -17.016 -11.128 -4.265 1.00 0.00 H new ATOM 680 N MET A 894 -16.336 -9.700 -1.162 1.00 0.00 N ATOM 681 CA MET A 894 -17.071 -9.887 0.107 1.00 0.00 C ATOM 682 C MET A 894 -17.687 -8.575 0.645 1.00 0.00 C ATOM 683 O MET A 894 -18.661 -8.594 1.398 1.00 0.00 O ATOM 684 CB MET A 894 -16.140 -10.556 1.134 1.00 0.00 C ATOM 685 CG MET A 894 -16.837 -11.007 2.425 1.00 0.00 C ATOM 686 SD MET A 894 -18.099 -12.295 2.208 1.00 0.00 S ATOM 687 CE MET A 894 -18.638 -12.476 3.930 1.00 0.00 C ATOM 0 H MET A 894 -15.334 -9.879 -1.100 1.00 0.00 H new ATOM 0 HA MET A 894 -17.922 -10.541 -0.083 1.00 0.00 H new ATOM 0 HB2 MET A 894 -15.669 -11.422 0.669 1.00 0.00 H new ATOM 0 HB3 MET A 894 -15.342 -9.859 1.391 1.00 0.00 H new ATOM 0 HG2 MET A 894 -16.081 -11.374 3.119 1.00 0.00 H new ATOM 0 HG3 MET A 894 -17.303 -10.139 2.891 1.00 0.00 H new ATOM 0 HE1 MET A 894 -19.419 -13.234 3.989 1.00 0.00 H new ATOM 0 HE2 MET A 894 -17.791 -12.779 4.546 1.00 0.00 H new ATOM 0 HE3 MET A 894 -19.028 -11.524 4.291 1.00 0.00 H new ATOM 697 N ASN A 895 -17.147 -7.428 0.219 1.00 0.00 N ATOM 698 CA ASN A 895 -17.638 -6.081 0.531 1.00 0.00 C ATOM 699 C ASN A 895 -18.716 -5.574 -0.459 1.00 0.00 C ATOM 700 O ASN A 895 -19.351 -4.549 -0.203 1.00 0.00 O ATOM 701 CB ASN A 895 -16.401 -5.156 0.651 1.00 0.00 C ATOM 702 CG ASN A 895 -16.392 -3.944 -0.267 1.00 0.00 C ATOM 703 OD1 ASN A 895 -16.512 -2.803 0.156 1.00 0.00 O ATOM 704 ND2 ASN A 895 -16.235 -4.154 -1.551 1.00 0.00 N ATOM 0 H ASN A 895 -16.320 -7.412 -0.378 1.00 0.00 H new ATOM 0 HA ASN A 895 -18.174 -6.089 1.480 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -16.329 -4.809 1.682 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -15.507 -5.747 0.451 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -16.213 -3.366 -2.198 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -16.135 -5.106 -1.904 1.00 0.00 H new ATOM 711 N ASN A 896 -18.906 -6.265 -1.591 1.00 0.00 N ATOM 712 CA ASN A 896 -19.765 -5.837 -2.703 1.00 0.00 C ATOM 713 C ASN A 896 -21.209 -5.524 -2.269 1.00 0.00 C ATOM 714 O ASN A 896 -21.830 -6.273 -1.511 1.00 0.00 O ATOM 715 CB ASN A 896 -19.765 -6.912 -3.808 1.00 0.00 C ATOM 716 CG ASN A 896 -20.554 -6.509 -5.043 1.00 0.00 C ATOM 717 OD1 ASN A 896 -20.440 -5.407 -5.552 1.00 0.00 O ATOM 718 ND2 ASN A 896 -21.413 -7.360 -5.552 1.00 0.00 N ATOM 0 H ASN A 896 -18.453 -7.163 -1.763 1.00 0.00 H new ATOM 0 HA ASN A 896 -19.347 -4.906 -3.085 1.00 0.00 H new ATOM 0 HB2 ASN A 896 -18.736 -7.125 -4.097 1.00 0.00 H new ATOM 0 HB3 ASN A 896 -20.181 -7.836 -3.406 1.00 0.00 H new ATOM 0 HD21 ASN A 896 -21.974 -7.096 -6.362 1.00 0.00 H new ATOM 0 HD22 ASN A 896 -21.520 -8.286 -5.138 1.00 0.00 H new ATOM 725 N SER A 897 -21.754 -4.446 -2.831 1.00 0.00 N ATOM 726 CA SER A 897 -23.143 -4.001 -2.643 1.00 0.00 C ATOM 727 C SER A 897 -24.194 -5.071 -2.964 1.00 0.00 C ATOM 728 O SER A 897 -25.170 -5.243 -2.233 1.00 0.00 O ATOM 729 CB SER A 897 -23.401 -2.818 -3.577 1.00 0.00 C ATOM 730 OG SER A 897 -22.662 -1.681 -3.157 1.00 0.00 O ATOM 0 H SER A 897 -21.226 -3.834 -3.453 1.00 0.00 H new ATOM 0 HA SER A 897 -23.244 -3.749 -1.587 1.00 0.00 H new ATOM 0 HB2 SER A 897 -23.121 -3.084 -4.596 1.00 0.00 H new ATOM 0 HB3 SER A 897 -24.465 -2.583 -3.590 1.00 0.00 H new ATOM 0 HG SER A 897 -22.837 -0.934 -3.766 1.00 0.00 H new ATOM 736 N ASP A 898 -23.998 -5.779 -4.075 1.00 0.00 N ATOM 737 CA ASP A 898 -24.941 -6.764 -4.616 1.00 0.00 C ATOM 738 C ASP A 898 -24.638 -8.175 -4.102 1.00 0.00 C ATOM 739 O ASP A 898 -23.714 -8.845 -4.570 1.00 0.00 O ATOM 740 CB ASP A 898 -24.955 -6.726 -6.155 1.00 0.00 C ATOM 741 CG ASP A 898 -24.924 -5.309 -6.751 1.00 0.00 C ATOM 742 OD1 ASP A 898 -25.850 -4.508 -6.479 1.00 0.00 O ATOM 743 OD2 ASP A 898 -23.970 -5.011 -7.509 1.00 0.00 O1- ATOM 0 H ASP A 898 -23.156 -5.683 -4.642 1.00 0.00 H new ATOM 0 HA ASP A 898 -25.936 -6.495 -4.262 1.00 0.00 H new ATOM 0 HB2 ASP A 898 -24.097 -7.284 -6.529 1.00 0.00 H new ATOM 0 HB3 ASP A 898 -25.848 -7.239 -6.512 1.00 0.00 H new ATOM 748 N LYS A 899 -25.462 -8.660 -3.172 1.00 0.00 N ATOM 749 CA LYS A 899 -25.332 -9.978 -2.518 1.00 0.00 C ATOM 750 C LYS A 899 -25.347 -11.155 -3.508 1.00 0.00 C ATOM 751 O LYS A 899 -24.753 -12.197 -3.235 1.00 0.00 O ATOM 752 CB LYS A 899 -26.443 -10.134 -1.461 1.00 0.00 C ATOM 753 CG LYS A 899 -26.378 -9.080 -0.340 1.00 0.00 C ATOM 754 CD LYS A 899 -25.378 -9.477 0.749 1.00 0.00 C ATOM 755 CE LYS A 899 -25.987 -10.525 1.691 1.00 0.00 C ATOM 756 NZ LYS A 899 -26.823 -9.910 2.758 1.00 0.00 N1+ ATOM 0 H LYS A 899 -26.269 -8.133 -2.837 1.00 0.00 H new ATOM 0 HA LYS A 899 -24.353 -10.009 -2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 899 -27.413 -10.070 -1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 899 -26.375 -11.128 -1.019 1.00 0.00 H new ATOM 0 HG2 LYS A 899 -26.094 -8.116 -0.762 1.00 0.00 H new ATOM 0 HG3 LYS A 899 -27.367 -8.956 0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 899 -24.473 -9.876 0.290 1.00 0.00 H new ATOM 0 HD3 LYS A 899 -25.085 -8.595 1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 899 -26.595 -11.220 1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 899 -25.187 -11.106 2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 899 -27.212 -10.657 3.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 899 -26.239 -9.266 3.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 899 -27.603 -9.377 2.324 1.00 0.00 H new ATOM 770 N ARG A 900 -25.950 -10.956 -4.687 1.00 0.00 N ATOM 771 CA ARG A 900 -25.939 -11.885 -5.837 1.00 0.00 C ATOM 772 C ARG A 900 -24.548 -12.100 -6.454 1.00 0.00 C ATOM 773 O ARG A 900 -24.318 -13.129 -7.084 1.00 0.00 O ATOM 774 CB ARG A 900 -26.899 -11.351 -6.912 1.00 0.00 C ATOM 775 CG ARG A 900 -28.374 -11.544 -6.530 1.00 0.00 C ATOM 776 CD ARG A 900 -29.295 -11.014 -7.637 1.00 0.00 C ATOM 777 NE ARG A 900 -30.720 -11.174 -7.282 1.00 0.00 N ATOM 778 CZ ARG A 900 -31.489 -12.229 -7.493 1.00 0.00 C ATOM 779 NH1 ARG A 900 -31.045 -13.314 -8.062 1.00 0.00 N1+ ATOM 780 NH2 ARG A 900 -32.738 -12.214 -7.127 1.00 0.00 N ATOM 0 H ARG A 900 -26.483 -10.108 -4.879 1.00 0.00 H new ATOM 0 HA ARG A 900 -26.257 -12.858 -5.461 1.00 0.00 H new ATOM 0 HB2 ARG A 900 -26.705 -10.291 -7.074 1.00 0.00 H new ATOM 0 HB3 ARG A 900 -26.702 -11.859 -7.856 1.00 0.00 H new ATOM 0 HG2 ARG A 900 -28.575 -12.601 -6.358 1.00 0.00 H new ATOM 0 HG3 ARG A 900 -28.584 -11.024 -5.595 1.00 0.00 H new ATOM 0 HD2 ARG A 900 -29.080 -9.961 -7.816 1.00 0.00 H new ATOM 0 HD3 ARG A 900 -29.089 -11.544 -8.567 1.00 0.00 H new ATOM 0 HE ARG A 900 -31.162 -10.379 -6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 900 -30.072 -13.371 -8.362 1.00 0.00 H new ATOM 0 HH12 ARG A 900 -31.671 -14.107 -8.207 1.00 0.00 H new ATOM 0 HH21 ARG A 900 -33.127 -11.386 -6.676 1.00 0.00 H new ATOM 0 HH22 ARG A 900 -33.328 -13.030 -7.292 1.00 0.00 H new ATOM 794 N PHE A 901 -23.629 -11.152 -6.266 1.00 0.00 N ATOM 795 CA PHE A 901 -22.269 -11.154 -6.835 1.00 0.00 C ATOM 796 C PHE A 901 -21.148 -10.932 -5.795 1.00 0.00 C ATOM 797 O PHE A 901 -19.988 -10.729 -6.146 1.00 0.00 O ATOM 798 CB PHE A 901 -22.189 -10.160 -8.011 1.00 0.00 C ATOM 799 CG PHE A 901 -23.289 -10.255 -9.061 1.00 0.00 C ATOM 800 CD1 PHE A 901 -24.530 -9.622 -8.848 1.00 0.00 C ATOM 801 CD2 PHE A 901 -23.060 -10.915 -10.285 1.00 0.00 C ATOM 802 CE1 PHE A 901 -25.542 -9.690 -9.820 1.00 0.00 C ATOM 803 CE2 PHE A 901 -24.070 -10.985 -11.260 1.00 0.00 C ATOM 804 CZ PHE A 901 -25.316 -10.380 -11.024 1.00 0.00 C ATOM 0 H PHE A 901 -23.812 -10.328 -5.693 1.00 0.00 H new ATOM 0 HA PHE A 901 -22.084 -12.160 -7.212 1.00 0.00 H new ATOM 0 HB2 PHE A 901 -22.194 -9.149 -7.603 1.00 0.00 H new ATOM 0 HB3 PHE A 901 -21.230 -10.298 -8.509 1.00 0.00 H new ATOM 0 HD1 PHE A 901 -24.704 -9.080 -7.930 1.00 0.00 H new ATOM 0 HD2 PHE A 901 -22.100 -11.371 -10.476 1.00 0.00 H new ATOM 0 HE1 PHE A 901 -26.494 -9.212 -9.642 1.00 0.00 H new ATOM 0 HE2 PHE A 901 -23.888 -11.503 -12.190 1.00 0.00 H new ATOM 0 HZ PHE A 901 -26.098 -10.445 -11.766 1.00 0.00 H new ATOM 814 N ALA A 902 -21.491 -10.978 -4.508 1.00 0.00 N ATOM 815 CA ALA A 902 -20.642 -10.653 -3.360 1.00 0.00 C ATOM 816 C ALA A 902 -19.800 -11.835 -2.827 1.00 0.00 C ATOM 817 O ALA A 902 -19.647 -12.023 -1.619 1.00 0.00 O ATOM 818 CB ALA A 902 -21.510 -9.975 -2.286 1.00 0.00 C ATOM 0 H ALA A 902 -22.428 -11.261 -4.220 1.00 0.00 H new ATOM 0 HA ALA A 902 -19.874 -9.954 -3.692 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -20.893 -9.726 -1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -21.948 -9.064 -2.694 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -22.306 -10.654 -1.979 1.00 0.00 H new ATOM 824 N ASP A 903 -19.231 -12.631 -3.734 1.00 0.00 N ATOM 825 CA ASP A 903 -18.161 -13.593 -3.423 1.00 0.00 C ATOM 826 C ASP A 903 -17.195 -13.748 -4.595 1.00 0.00 C ATOM 827 O ASP A 903 -17.608 -13.696 -5.756 1.00 0.00 O ATOM 828 CB ASP A 903 -18.724 -14.981 -3.050 1.00 0.00 C ATOM 829 CG ASP A 903 -17.959 -15.728 -1.935 1.00 0.00 C ATOM 830 OD1 ASP A 903 -18.487 -16.757 -1.451 1.00 0.00 O ATOM 831 OD2 ASP A 903 -16.830 -15.332 -1.564 1.00 0.00 O1- ATOM 0 H ASP A 903 -19.500 -12.629 -4.718 1.00 0.00 H new ATOM 0 HA ASP A 903 -17.626 -13.188 -2.564 1.00 0.00 H new ATOM 0 HB2 ASP A 903 -19.762 -14.862 -2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 903 -18.729 -15.604 -3.944 1.00 0.00 H new ATOM 836 N CYS A 904 -15.942 -14.090 -4.304 1.00 0.00 N ATOM 837 CA CYS A 904 -14.973 -14.557 -5.286 1.00 0.00 C ATOM 838 C CYS A 904 -15.471 -15.823 -6.051 1.00 0.00 C ATOM 839 O CYS A 904 -14.937 -16.144 -7.114 1.00 0.00 O ATOM 840 CB CYS A 904 -13.636 -14.763 -4.551 1.00 0.00 C ATOM 841 SG CYS A 904 -13.036 -13.214 -3.774 1.00 0.00 S ATOM 0 H CYS A 904 -15.566 -14.048 -3.357 1.00 0.00 H new ATOM 0 HA CYS A 904 -14.835 -13.815 -6.072 1.00 0.00 H new ATOM 0 HB2 CYS A 904 -13.757 -15.530 -3.786 1.00 0.00 H new ATOM 0 HB3 CYS A 904 -12.888 -15.130 -5.254 1.00 0.00 H new ATOM 846 N SER A 905 -16.508 -16.508 -5.536 1.00 0.00 N ATOM 847 CA SER A 905 -17.125 -17.686 -6.167 1.00 0.00 C ATOM 848 C SER A 905 -18.298 -17.332 -7.093 1.00 0.00 C ATOM 849 O SER A 905 -18.681 -18.148 -7.934 1.00 0.00 O ATOM 850 CB SER A 905 -17.613 -18.671 -5.101 1.00 0.00 C ATOM 851 OG SER A 905 -16.532 -19.146 -4.310 1.00 0.00 O ATOM 0 H SER A 905 -16.948 -16.252 -4.652 1.00 0.00 H new ATOM 0 HA SER A 905 -16.347 -18.141 -6.780 1.00 0.00 H new ATOM 0 HB2 SER A 905 -18.349 -18.184 -4.461 1.00 0.00 H new ATOM 0 HB3 SER A 905 -18.114 -19.512 -5.581 1.00 0.00 H new ATOM 0 HG SER A 905 -16.870 -19.772 -3.636 1.00 0.00 H new ATOM 857 N LYS A 906 -18.881 -16.132 -6.948 1.00 0.00 N ATOM 858 CA LYS A 906 -19.974 -15.637 -7.803 1.00 0.00 C ATOM 859 C LYS A 906 -19.495 -15.169 -9.190 1.00 0.00 C ATOM 860 O LYS A 906 -18.299 -15.169 -9.481 1.00 0.00 O ATOM 861 CB LYS A 906 -20.705 -14.500 -7.077 1.00 0.00 C ATOM 862 CG LYS A 906 -21.404 -14.816 -5.752 1.00 0.00 C ATOM 863 CD LYS A 906 -22.215 -16.114 -5.755 1.00 0.00 C ATOM 864 CE LYS A 906 -23.371 -16.126 -6.763 1.00 0.00 C ATOM 865 NZ LYS A 906 -24.144 -17.396 -6.695 1.00 0.00 N1+ ATOM 0 H LYS A 906 -18.604 -15.469 -6.224 1.00 0.00 H new ATOM 0 HA LYS A 906 -20.652 -16.471 -7.983 1.00 0.00 H new ATOM 0 HB2 LYS A 906 -19.982 -13.706 -6.890 1.00 0.00 H new ATOM 0 HB3 LYS A 906 -21.453 -14.096 -7.759 1.00 0.00 H new ATOM 0 HG2 LYS A 906 -20.653 -14.874 -4.964 1.00 0.00 H new ATOM 0 HG3 LYS A 906 -22.067 -13.989 -5.500 1.00 0.00 H new ATOM 0 HD2 LYS A 906 -21.547 -16.947 -5.974 1.00 0.00 H new ATOM 0 HD3 LYS A 906 -22.616 -16.282 -4.756 1.00 0.00 H new ATOM 0 HE2 LYS A 906 -24.035 -15.284 -6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 906 -22.977 -15.992 -7.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 906 -24.917 -17.369 -7.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 906 -23.515 -18.197 -6.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 906 -24.540 -17.511 -5.740 1.00 0.00 H new ATOM 879 N SER A 907 -20.440 -14.744 -10.030 1.00 0.00 N ATOM 880 CA SER A 907 -20.206 -14.275 -11.406 1.00 0.00 C ATOM 881 C SER A 907 -20.031 -12.741 -11.496 1.00 0.00 C ATOM 882 O SER A 907 -19.725 -12.083 -10.498 1.00 0.00 O ATOM 883 CB SER A 907 -21.336 -14.827 -12.291 1.00 0.00 C ATOM 884 OG SER A 907 -21.033 -14.687 -13.670 1.00 0.00 O ATOM 0 H SER A 907 -21.425 -14.714 -9.767 1.00 0.00 H new ATOM 0 HA SER A 907 -19.254 -14.658 -11.773 1.00 0.00 H new ATOM 0 HB2 SER A 907 -21.500 -15.879 -12.059 1.00 0.00 H new ATOM 0 HB3 SER A 907 -22.265 -14.302 -12.066 1.00 0.00 H new ATOM 0 HG SER A 907 -21.770 -15.049 -14.205 1.00 0.00 H new ATOM 890 N GLN A 908 -20.226 -12.160 -12.684 1.00 0.00 N ATOM 891 CA GLN A 908 -20.229 -10.721 -12.995 1.00 0.00 C ATOM 892 C GLN A 908 -21.206 -10.409 -14.152 1.00 0.00 C ATOM 893 O GLN A 908 -21.666 -11.319 -14.841 1.00 0.00 O ATOM 894 CB GLN A 908 -18.792 -10.254 -13.297 1.00 0.00 C ATOM 895 CG GLN A 908 -18.269 -10.760 -14.648 1.00 0.00 C ATOM 896 CD GLN A 908 -16.743 -10.804 -14.712 1.00 0.00 C ATOM 897 OE1 GLN A 908 -16.104 -11.707 -14.192 1.00 0.00 O ATOM 898 NE2 GLN A 908 -16.110 -9.858 -15.371 1.00 0.00 N ATOM 0 H GLN A 908 -20.399 -12.722 -13.517 1.00 0.00 H new ATOM 0 HA GLN A 908 -20.586 -10.163 -12.130 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -18.760 -9.165 -13.286 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -18.129 -10.600 -12.504 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -18.665 -11.758 -14.835 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -18.643 -10.114 -15.442 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -16.636 -9.101 -15.808 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -15.093 -9.881 -15.445 1.00 0.00 H new ATOM 907 N GLU A 909 -21.520 -9.128 -14.392 1.00 0.00 N ATOM 908 CA GLU A 909 -22.452 -8.729 -15.471 1.00 0.00 C ATOM 909 C GLU A 909 -21.933 -9.076 -16.884 1.00 0.00 C ATOM 910 O GLU A 909 -22.721 -9.444 -17.757 1.00 0.00 O ATOM 911 CB GLU A 909 -22.730 -7.214 -15.438 1.00 0.00 C ATOM 912 CG GLU A 909 -23.224 -6.617 -14.112 1.00 0.00 C ATOM 913 CD GLU A 909 -24.511 -7.254 -13.549 1.00 0.00 C ATOM 914 OE1 GLU A 909 -25.408 -7.665 -14.325 1.00 0.00 O ATOM 915 OE2 GLU A 909 -24.627 -7.316 -12.301 1.00 0.00 O1- ATOM 0 H GLU A 909 -21.145 -8.345 -13.856 1.00 0.00 H new ATOM 0 HA GLU A 909 -23.363 -9.297 -15.280 1.00 0.00 H new ATOM 0 HB2 GLU A 909 -21.813 -6.697 -15.720 1.00 0.00 H new ATOM 0 HB3 GLU A 909 -23.471 -6.990 -16.205 1.00 0.00 H new ATOM 0 HG2 GLU A 909 -22.433 -6.716 -13.369 1.00 0.00 H new ATOM 0 HG3 GLU A 909 -23.397 -5.550 -14.253 1.00 0.00 H new ATOM 922 N MET A 910 -20.617 -8.960 -17.110 1.00 0.00 N ATOM 923 CA MET A 910 -19.940 -9.218 -18.399 1.00 0.00 C ATOM 924 C MET A 910 -18.491 -9.652 -18.176 1.00 0.00 C ATOM 925 O MET A 910 -17.781 -9.004 -17.406 1.00 0.00 O ATOM 926 CB MET A 910 -19.903 -7.962 -19.291 1.00 0.00 C ATOM 927 CG MET A 910 -21.275 -7.521 -19.802 1.00 0.00 C ATOM 928 SD MET A 910 -21.199 -6.182 -21.019 1.00 0.00 S ATOM 929 CE MET A 910 -22.948 -6.123 -21.497 1.00 0.00 C ATOM 0 H MET A 910 -19.967 -8.674 -16.378 1.00 0.00 H new ATOM 0 HA MET A 910 -20.513 -10.005 -18.888 1.00 0.00 H new ATOM 0 HB2 MET A 910 -19.456 -7.143 -18.728 1.00 0.00 H new ATOM 0 HB3 MET A 910 -19.253 -8.154 -20.145 1.00 0.00 H new ATOM 0 HG2 MET A 910 -21.780 -8.378 -20.248 1.00 0.00 H new ATOM 0 HG3 MET A 910 -21.882 -7.198 -18.956 1.00 0.00 H new ATOM 0 HE1 MET A 910 -23.094 -5.347 -22.248 1.00 0.00 H new ATOM 0 HE2 MET A 910 -23.245 -7.087 -21.909 1.00 0.00 H new ATOM 0 HE3 MET A 910 -23.557 -5.899 -20.621 1.00 0.00 H new ATOM 939 N SER A 911 -18.035 -10.705 -18.860 1.00 0.00 N ATOM 940 CA SER A 911 -16.649 -11.189 -18.779 1.00 0.00 C ATOM 941 C SER A 911 -15.645 -10.153 -19.258 1.00 0.00 C ATOM 942 O SER A 911 -15.963 -9.241 -20.020 1.00 0.00 O ATOM 943 CB SER A 911 -16.445 -12.504 -19.535 1.00 0.00 C ATOM 944 OG SER A 911 -17.165 -12.524 -20.760 1.00 0.00 O ATOM 0 H SER A 911 -18.620 -11.252 -19.492 1.00 0.00 H new ATOM 0 HA SER A 911 -16.467 -11.375 -17.721 1.00 0.00 H new ATOM 0 HB2 SER A 911 -15.383 -12.648 -19.735 1.00 0.00 H new ATOM 0 HB3 SER A 911 -16.767 -13.337 -18.910 1.00 0.00 H new ATOM 0 HG SER A 911 -17.010 -13.377 -21.217 1.00 0.00 H new ATOM 950 N ASN A 912 -14.416 -10.294 -18.768 1.00 0.00 N ATOM 951 CA ASN A 912 -13.424 -9.209 -18.752 1.00 0.00 C ATOM 952 C ASN A 912 -13.079 -8.710 -20.171 1.00 0.00 C ATOM 953 O ASN A 912 -12.835 -7.519 -20.358 1.00 0.00 O ATOM 954 CB ASN A 912 -12.163 -9.642 -17.968 1.00 0.00 C ATOM 955 CG ASN A 912 -12.407 -10.151 -16.549 1.00 0.00 C ATOM 956 OD1 ASN A 912 -13.477 -10.602 -16.169 1.00 0.00 O ATOM 957 ND2 ASN A 912 -11.436 -10.046 -15.680 1.00 0.00 N ATOM 0 H ASN A 912 -14.073 -11.167 -18.367 1.00 0.00 H new ATOM 0 HA ASN A 912 -13.869 -8.360 -18.234 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -11.658 -10.425 -18.533 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -11.480 -8.794 -17.918 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -11.583 -10.337 -14.714 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -10.532 -9.673 -15.968 1.00 0.00 H new ATOM 964 N GLU A 913 -13.133 -9.607 -21.162 1.00 0.00 N ATOM 965 CA GLU A 913 -12.929 -9.332 -22.596 1.00 0.00 C ATOM 966 C GLU A 913 -14.156 -8.738 -23.330 1.00 0.00 C ATOM 967 O GLU A 913 -14.038 -8.282 -24.467 1.00 0.00 O ATOM 968 CB GLU A 913 -12.450 -10.621 -23.290 1.00 0.00 C ATOM 969 CG GLU A 913 -13.516 -11.730 -23.357 1.00 0.00 C ATOM 970 CD GLU A 913 -12.990 -13.049 -23.974 1.00 0.00 C ATOM 971 OE1 GLU A 913 -13.461 -14.139 -23.564 1.00 0.00 O ATOM 972 OE2 GLU A 913 -12.134 -13.024 -24.894 1.00 0.00 O1- ATOM 0 H GLU A 913 -13.329 -10.592 -20.982 1.00 0.00 H new ATOM 0 HA GLU A 913 -12.172 -8.550 -22.655 1.00 0.00 H new ATOM 0 HB2 GLU A 913 -12.129 -10.378 -24.303 1.00 0.00 H new ATOM 0 HB3 GLU A 913 -11.576 -11.003 -22.762 1.00 0.00 H new ATOM 0 HG2 GLU A 913 -13.886 -11.930 -22.351 1.00 0.00 H new ATOM 0 HG3 GLU A 913 -14.363 -11.375 -23.944 1.00 0.00 H new ATOM 979 N GLU A 914 -15.342 -8.746 -22.709 1.00 0.00 N ATOM 980 CA GLU A 914 -16.568 -8.110 -23.211 1.00 0.00 C ATOM 981 C GLU A 914 -16.788 -6.724 -22.584 1.00 0.00 C ATOM 982 O GLU A 914 -17.193 -5.797 -23.287 1.00 0.00 O ATOM 983 CB GLU A 914 -17.785 -9.013 -22.942 1.00 0.00 C ATOM 984 CG GLU A 914 -17.736 -10.377 -23.653 1.00 0.00 C ATOM 985 CD GLU A 914 -17.665 -10.291 -25.197 1.00 0.00 C ATOM 986 OE1 GLU A 914 -18.286 -9.383 -25.805 1.00 0.00 O ATOM 987 OE2 GLU A 914 -17.024 -11.168 -25.826 1.00 0.00 O1- ATOM 0 H GLU A 914 -15.480 -9.211 -21.812 1.00 0.00 H new ATOM 0 HA GLU A 914 -16.452 -7.973 -24.286 1.00 0.00 H new ATOM 0 HB2 GLU A 914 -17.868 -9.180 -21.868 1.00 0.00 H new ATOM 0 HB3 GLU A 914 -18.688 -8.487 -23.253 1.00 0.00 H new ATOM 0 HG2 GLU A 914 -16.869 -10.930 -23.292 1.00 0.00 H new ATOM 0 HG3 GLU A 914 -18.620 -10.951 -23.373 1.00 0.00 H new ATOM 994 N ILE A 915 -16.482 -6.547 -21.288 1.00 0.00 N ATOM 995 CA ILE A 915 -16.466 -5.216 -20.662 1.00 0.00 C ATOM 996 C ILE A 915 -15.341 -4.322 -21.218 1.00 0.00 C ATOM 997 O ILE A 915 -15.622 -3.239 -21.714 1.00 0.00 O ATOM 998 CB ILE A 915 -16.529 -5.280 -19.107 1.00 0.00 C ATOM 999 CG1 ILE A 915 -16.234 -3.920 -18.448 1.00 0.00 C ATOM 1000 CG2 ILE A 915 -15.605 -6.318 -18.448 1.00 0.00 C ATOM 1001 CD1 ILE A 915 -17.145 -2.801 -18.944 1.00 0.00 C ATOM 0 H ILE A 915 -16.242 -7.309 -20.654 1.00 0.00 H new ATOM 0 HA ILE A 915 -17.391 -4.717 -20.951 1.00 0.00 H new ATOM 0 HB ILE A 915 -17.560 -5.589 -18.931 1.00 0.00 H new ATOM 0 HG12 ILE A 915 -16.343 -4.016 -17.368 1.00 0.00 H new ATOM 0 HG13 ILE A 915 -15.196 -3.647 -18.641 1.00 0.00 H new ATOM 0 HG21 ILE A 915 -15.727 -6.279 -17.366 1.00 0.00 H new ATOM 0 HG22 ILE A 915 -15.863 -7.314 -18.807 1.00 0.00 H new ATOM 0 HG23 ILE A 915 -14.569 -6.097 -18.704 1.00 0.00 H new ATOM 0 HD11 ILE A 915 -16.885 -1.870 -18.440 1.00 0.00 H new ATOM 0 HD12 ILE A 915 -17.019 -2.679 -20.020 1.00 0.00 H new ATOM 0 HD13 ILE A 915 -18.183 -3.053 -18.727 1.00 0.00 H new ATOM 1013 N ASN A 916 -14.073 -4.731 -21.185 1.00 0.00 N ATOM 1014 CA ASN A 916 -12.944 -3.865 -21.605 1.00 0.00 C ATOM 1015 C ASN A 916 -13.082 -3.285 -23.038 1.00 0.00 C ATOM 1016 O ASN A 916 -12.631 -2.172 -23.309 1.00 0.00 O ATOM 1017 CB ASN A 916 -11.599 -4.592 -21.394 1.00 0.00 C ATOM 1018 CG ASN A 916 -11.285 -5.752 -22.331 1.00 0.00 C ATOM 1019 OD1 ASN A 916 -12.037 -6.140 -23.208 1.00 0.00 O ATOM 1020 ND2 ASN A 916 -10.131 -6.353 -22.157 1.00 0.00 N ATOM 0 H ASN A 916 -13.789 -5.659 -20.872 1.00 0.00 H new ATOM 0 HA ASN A 916 -12.972 -2.989 -20.957 1.00 0.00 H new ATOM 0 HB2 ASN A 916 -10.799 -3.857 -21.485 1.00 0.00 H new ATOM 0 HB3 ASN A 916 -11.573 -4.967 -20.371 1.00 0.00 H new ATOM 0 HD21 ASN A 916 -9.870 -7.138 -22.753 1.00 0.00 H new ATOM 0 HD22 ASN A 916 -9.495 -6.035 -21.425 1.00 0.00 H new ATOM 1027 N GLU A 917 -13.788 -3.996 -23.914 1.00 0.00 N ATOM 1028 CA GLU A 917 -14.216 -3.584 -25.255 1.00 0.00 C ATOM 1029 C GLU A 917 -15.166 -2.367 -25.274 1.00 0.00 C ATOM 1030 O GLU A 917 -15.117 -1.569 -26.211 1.00 0.00 O ATOM 1031 CB GLU A 917 -14.909 -4.786 -25.914 1.00 0.00 C ATOM 1032 CG GLU A 917 -13.962 -5.624 -26.784 1.00 0.00 C ATOM 1033 CD GLU A 917 -13.475 -4.875 -28.045 1.00 0.00 C ATOM 1034 OE1 GLU A 917 -12.242 -4.725 -28.231 1.00 0.00 O ATOM 1035 OE2 GLU A 917 -14.315 -4.447 -28.875 1.00 0.00 O1- ATOM 0 H GLU A 917 -14.099 -4.942 -23.693 1.00 0.00 H new ATOM 0 HA GLU A 917 -13.326 -3.268 -25.799 1.00 0.00 H new ATOM 0 HB2 GLU A 917 -15.338 -5.421 -25.138 1.00 0.00 H new ATOM 0 HB3 GLU A 917 -15.736 -4.429 -26.527 1.00 0.00 H new ATOM 0 HG2 GLU A 917 -13.098 -5.921 -26.189 1.00 0.00 H new ATOM 0 HG3 GLU A 917 -14.471 -6.540 -27.086 1.00 0.00 H new ATOM 1042 N GLU A 918 -16.006 -2.192 -24.247 1.00 0.00 N ATOM 1043 CA GLU A 918 -16.892 -1.021 -24.093 1.00 0.00 C ATOM 1044 C GLU A 918 -16.094 0.291 -23.974 1.00 0.00 C ATOM 1045 O GLU A 918 -16.411 1.288 -24.628 1.00 0.00 O ATOM 1046 CB GLU A 918 -17.804 -1.190 -22.855 1.00 0.00 C ATOM 1047 CG GLU A 918 -18.863 -0.087 -22.691 1.00 0.00 C ATOM 1048 CD GLU A 918 -19.969 -0.163 -23.760 1.00 0.00 C ATOM 1049 OE1 GLU A 918 -19.849 0.472 -24.834 1.00 0.00 O ATOM 1050 OE2 GLU A 918 -20.981 -0.859 -23.505 1.00 0.00 O1- ATOM 0 H GLU A 918 -16.094 -2.866 -23.487 1.00 0.00 H new ATOM 0 HA GLU A 918 -17.506 -0.962 -24.992 1.00 0.00 H new ATOM 0 HB2 GLU A 918 -18.308 -2.154 -22.919 1.00 0.00 H new ATOM 0 HB3 GLU A 918 -17.181 -1.215 -21.961 1.00 0.00 H new ATOM 0 HG2 GLU A 918 -19.313 -0.165 -21.702 1.00 0.00 H new ATOM 0 HG3 GLU A 918 -18.378 0.888 -22.744 1.00 0.00 H new ATOM 1057 N LEU A 919 -15.042 0.286 -23.147 1.00 0.00 N ATOM 1058 CA LEU A 919 -14.170 1.447 -22.927 1.00 0.00 C ATOM 1059 C LEU A 919 -13.085 1.573 -24.013 1.00 0.00 C ATOM 1060 O LEU A 919 -12.653 2.680 -24.338 1.00 0.00 O ATOM 1061 CB LEU A 919 -13.519 1.363 -21.535 1.00 0.00 C ATOM 1062 CG LEU A 919 -14.497 1.114 -20.369 1.00 0.00 C ATOM 1063 CD1 LEU A 919 -14.492 -0.355 -19.945 1.00 0.00 C ATOM 1064 CD2 LEU A 919 -14.103 1.959 -19.167 1.00 0.00 C ATOM 0 H LEU A 919 -14.769 -0.534 -22.605 1.00 0.00 H new ATOM 0 HA LEU A 919 -14.794 2.339 -22.985 1.00 0.00 H new ATOM 0 HB2 LEU A 919 -12.779 0.563 -21.545 1.00 0.00 H new ATOM 0 HB3 LEU A 919 -12.982 2.292 -21.346 1.00 0.00 H new ATOM 0 HG LEU A 919 -15.494 1.385 -20.715 1.00 0.00 H new ATOM 0 HD11 LEU A 919 -15.191 -0.498 -19.121 1.00 0.00 H new ATOM 0 HD12 LEU A 919 -14.791 -0.978 -20.788 1.00 0.00 H new ATOM 0 HD13 LEU A 919 -13.490 -0.637 -19.623 1.00 0.00 H new ATOM 0 HD21 LEU A 919 -14.800 1.776 -18.349 1.00 0.00 H new ATOM 0 HD22 LEU A 919 -13.094 1.693 -18.851 1.00 0.00 H new ATOM 0 HD23 LEU A 919 -14.132 3.014 -19.439 1.00 0.00 H new ATOM 1076 N GLY A 920 -12.653 0.436 -24.567 1.00 0.00 N ATOM 1077 CA GLY A 920 -11.603 0.336 -25.588 1.00 0.00 C ATOM 1078 C GLY A 920 -10.202 0.178 -24.984 1.00 0.00 C ATOM 1079 O GLY A 920 -9.247 0.798 -25.456 1.00 0.00 O ATOM 0 H GLY A 920 -13.038 -0.473 -24.308 1.00 0.00 H new ATOM 0 HA2 GLY A 920 -11.813 -0.515 -26.236 1.00 0.00 H new ATOM 0 HA3 GLY A 920 -11.625 1.228 -26.215 1.00 0.00 H new ATOM 1083 N ILE A 921 -10.097 -0.612 -23.910 1.00 0.00 N ATOM 1084 CA ILE A 921 -8.899 -0.776 -23.066 1.00 0.00 C ATOM 1085 C ILE A 921 -8.442 -2.245 -22.985 1.00 0.00 C ATOM 1086 O ILE A 921 -9.099 -3.150 -23.502 1.00 0.00 O ATOM 1087 CB ILE A 921 -9.130 -0.136 -21.673 1.00 0.00 C ATOM 1088 CG1 ILE A 921 -10.225 -0.874 -20.870 1.00 0.00 C ATOM 1089 CG2 ILE A 921 -9.408 1.370 -21.822 1.00 0.00 C ATOM 1090 CD1 ILE A 921 -10.504 -0.271 -19.487 1.00 0.00 C ATOM 0 H ILE A 921 -10.878 -1.182 -23.587 1.00 0.00 H new ATOM 0 HA ILE A 921 -8.073 -0.242 -23.537 1.00 0.00 H new ATOM 0 HB ILE A 921 -8.218 -0.245 -21.087 1.00 0.00 H new ATOM 0 HG12 ILE A 921 -11.149 -0.871 -21.449 1.00 0.00 H new ATOM 0 HG13 ILE A 921 -9.930 -1.916 -20.747 1.00 0.00 H new ATOM 0 HG21 ILE A 921 -9.569 1.809 -20.838 1.00 0.00 H new ATOM 0 HG22 ILE A 921 -8.555 1.852 -22.300 1.00 0.00 H new ATOM 0 HG23 ILE A 921 -10.298 1.517 -22.435 1.00 0.00 H new ATOM 0 HD11 ILE A 921 -11.284 -0.847 -18.990 1.00 0.00 H new ATOM 0 HD12 ILE A 921 -9.594 -0.299 -18.887 1.00 0.00 H new ATOM 0 HD13 ILE A 921 -10.832 0.762 -19.600 1.00 0.00 H new ATOM 1102 N GLY A 922 -7.297 -2.479 -22.336 1.00 0.00 N ATOM 1103 CA GLY A 922 -6.634 -3.775 -22.211 1.00 0.00 C ATOM 1104 C GLY A 922 -6.006 -3.923 -20.826 1.00 0.00 C ATOM 1105 O GLY A 922 -5.076 -3.200 -20.466 1.00 0.00 O ATOM 0 H GLY A 922 -6.786 -1.734 -21.863 1.00 0.00 H new ATOM 0 HA2 GLY A 922 -7.354 -4.576 -22.378 1.00 0.00 H new ATOM 0 HA3 GLY A 922 -5.865 -3.872 -22.978 1.00 0.00 H new ATOM 1109 N GLN A 923 -6.547 -4.860 -20.051 1.00 0.00 N ATOM 1110 CA GLN A 923 -6.133 -5.210 -18.684 1.00 0.00 C ATOM 1111 C GLN A 923 -6.253 -6.724 -18.412 1.00 0.00 C ATOM 1112 O GLN A 923 -6.723 -7.479 -19.261 1.00 0.00 O ATOM 1113 CB GLN A 923 -6.937 -4.365 -17.675 1.00 0.00 C ATOM 1114 CG GLN A 923 -8.414 -4.788 -17.553 1.00 0.00 C ATOM 1115 CD GLN A 923 -9.347 -3.587 -17.493 1.00 0.00 C ATOM 1116 OE1 GLN A 923 -10.068 -3.299 -18.434 1.00 0.00 O ATOM 1117 NE2 GLN A 923 -9.407 -2.859 -16.400 1.00 0.00 N ATOM 0 H GLN A 923 -7.329 -5.430 -20.373 1.00 0.00 H new ATOM 0 HA GLN A 923 -5.075 -4.975 -18.565 1.00 0.00 H new ATOM 0 HB2 GLN A 923 -6.465 -4.438 -16.695 1.00 0.00 H new ATOM 0 HB3 GLN A 923 -6.891 -3.318 -17.973 1.00 0.00 H new ATOM 0 HG2 GLN A 923 -8.683 -5.414 -18.403 1.00 0.00 H new ATOM 0 HG3 GLN A 923 -8.545 -5.394 -16.657 1.00 0.00 H new ATOM 0 HE21 GLN A 923 -8.812 -3.085 -15.603 1.00 0.00 H new ATOM 0 HE22 GLN A 923 -10.049 -2.068 -16.349 1.00 0.00 H new ATOM 1126 N ASP A 924 -5.802 -7.162 -17.230 1.00 0.00 N ATOM 1127 CA ASP A 924 -5.748 -8.551 -16.715 1.00 0.00 C ATOM 1128 C ASP A 924 -4.772 -9.500 -17.432 1.00 0.00 C ATOM 1129 O ASP A 924 -4.373 -10.524 -16.878 1.00 0.00 O ATOM 1130 CB ASP A 924 -7.156 -9.154 -16.614 1.00 0.00 C ATOM 1131 CG ASP A 924 -8.113 -8.343 -15.726 1.00 0.00 C ATOM 1132 OD1 ASP A 924 -9.311 -8.243 -16.084 1.00 0.00 O ATOM 1133 OD2 ASP A 924 -7.685 -7.833 -14.664 1.00 0.00 O1- ATOM 0 H ASP A 924 -5.432 -6.503 -16.545 1.00 0.00 H new ATOM 0 HA ASP A 924 -5.322 -8.454 -15.717 1.00 0.00 H new ATOM 0 HB2 ASP A 924 -7.581 -9.232 -17.615 1.00 0.00 H new ATOM 0 HB3 ASP A 924 -7.080 -10.168 -16.220 1.00 0.00 H new ATOM 1138 N GLU A 925 -4.339 -9.093 -18.621 1.00 0.00 N ATOM 1139 CA GLU A 925 -3.295 -9.632 -19.506 1.00 0.00 C ATOM 1140 C GLU A 925 -3.504 -11.076 -19.995 1.00 0.00 C ATOM 1141 O GLU A 925 -3.591 -11.331 -21.199 1.00 0.00 O ATOM 1142 CB GLU A 925 -1.929 -9.428 -18.832 1.00 0.00 C ATOM 1143 CG GLU A 925 -0.767 -9.536 -19.825 1.00 0.00 C ATOM 1144 CD GLU A 925 0.621 -9.329 -19.175 1.00 0.00 C ATOM 1145 OE1 GLU A 925 0.711 -8.833 -18.023 1.00 0.00 O ATOM 1146 OE2 GLU A 925 1.644 -9.654 -19.827 1.00 0.00 O1- ATOM 0 H GLU A 925 -4.764 -8.270 -19.048 1.00 0.00 H new ATOM 0 HA GLU A 925 -3.351 -9.066 -20.436 1.00 0.00 H new ATOM 0 HB2 GLU A 925 -1.905 -8.449 -18.354 1.00 0.00 H new ATOM 0 HB3 GLU A 925 -1.801 -10.170 -18.044 1.00 0.00 H new ATOM 0 HG2 GLU A 925 -0.795 -10.517 -20.299 1.00 0.00 H new ATOM 0 HG3 GLU A 925 -0.904 -8.797 -20.614 1.00 0.00 H new ATOM 1153 N ALA A 926 -3.590 -12.014 -19.057 1.00 0.00 N ATOM 1154 CA ALA A 926 -3.836 -13.437 -19.291 1.00 0.00 C ATOM 1155 C ALA A 926 -5.331 -13.755 -19.457 1.00 0.00 C ATOM 1156 O ALA A 926 -5.719 -14.440 -20.406 1.00 0.00 O ATOM 1157 CB ALA A 926 -3.220 -14.225 -18.127 1.00 0.00 C ATOM 0 H ALA A 926 -3.486 -11.795 -18.066 1.00 0.00 H new ATOM 0 HA ALA A 926 -3.369 -13.730 -20.231 1.00 0.00 H new ATOM 0 HB1 ALA A 926 -3.391 -15.291 -18.279 1.00 0.00 H new ATOM 0 HB2 ALA A 926 -2.148 -14.032 -18.084 1.00 0.00 H new ATOM 0 HB3 ALA A 926 -3.683 -13.913 -17.191 1.00 0.00 H new ATOM 1163 N ASP A 927 -6.160 -13.295 -18.511 1.00 0.00 N ATOM 1164 CA ASP A 927 -7.574 -13.687 -18.335 1.00 0.00 C ATOM 1165 C ASP A 927 -7.805 -15.224 -18.250 1.00 0.00 C ATOM 1166 O ASP A 927 -8.917 -15.720 -18.460 1.00 0.00 O ATOM 1167 CB ASP A 927 -8.454 -12.979 -19.387 1.00 0.00 C ATOM 1168 CG ASP A 927 -9.961 -12.945 -19.048 1.00 0.00 C ATOM 1169 OD1 ASP A 927 -10.337 -12.938 -17.852 1.00 0.00 O ATOM 1170 OD2 ASP A 927 -10.780 -12.859 -19.996 1.00 0.00 O1- ATOM 0 H ASP A 927 -5.857 -12.612 -17.817 1.00 0.00 H new ATOM 0 HA ASP A 927 -7.888 -13.339 -17.351 1.00 0.00 H new ATOM 0 HB2 ASP A 927 -8.099 -11.956 -19.509 1.00 0.00 H new ATOM 0 HB3 ASP A 927 -8.322 -13.478 -20.347 1.00 0.00 H new ATOM 1175 N ALA A 928 -6.739 -15.989 -17.966 1.00 0.00 N ATOM 1176 CA ALA A 928 -6.736 -17.454 -17.832 1.00 0.00 C ATOM 1177 C ALA A 928 -7.457 -17.957 -16.557 1.00 0.00 C ATOM 1178 O ALA A 928 -8.255 -18.919 -16.664 1.00 0.00 O ATOM 1179 CB ALA A 928 -5.280 -17.941 -17.908 1.00 0.00 C ATOM 1180 OXT ALA A 928 -7.203 -17.420 -15.452 1.00 0.00 O ATOM 0 H ALA A 928 -5.814 -15.585 -17.817 1.00 0.00 H new ATOM 0 HA ALA A 928 -7.313 -17.880 -18.653 1.00 0.00 H new ATOM 0 HB1 ALA A 928 -5.254 -19.026 -17.811 1.00 0.00 H new ATOM 0 HB2 ALA A 928 -4.849 -17.652 -18.867 1.00 0.00 H new ATOM 0 HB3 ALA A 928 -4.703 -17.490 -17.101 1.00 0.00 H new TER 1186 ALA A 928 ATOM 1187 N ALA B 1 -7.358 -0.185 -6.191 1.00 0.00 N ATOM 1188 CA ALA B 1 -6.649 -0.578 -7.434 1.00 0.00 C ATOM 1189 C ALA B 1 -7.167 0.209 -8.646 1.00 0.00 C ATOM 1190 O ALA B 1 -8.119 0.979 -8.519 1.00 0.00 O ATOM 1191 CB ALA B 1 -6.798 -2.088 -7.673 1.00 0.00 C ATOM 0 H1 ALA B 1 -6.857 -0.576 -5.367 1.00 0.00 H new ATOM 0 H2 ALA B 1 -7.385 0.852 -6.120 1.00 0.00 H new ATOM 0 H3 ALA B 1 -8.329 -0.556 -6.213 1.00 0.00 H new ATOM 0 HA ALA B 1 -5.593 -0.340 -7.310 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -6.274 -2.365 -8.588 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -6.372 -2.633 -6.831 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -7.854 -2.339 -7.770 1.00 0.00 H new ATOM 1199 N ARG B 2 -6.569 0.006 -9.836 1.00 0.00 N ATOM 1200 CA ARG B 2 -7.105 0.534 -11.108 1.00 0.00 C ATOM 1201 C ARG B 2 -8.483 -0.043 -11.451 1.00 0.00 C ATOM 1202 O ARG B 2 -8.846 -1.115 -10.962 1.00 0.00 O ATOM 1203 CB ARG B 2 -6.118 0.310 -12.272 1.00 0.00 C ATOM 1204 CG ARG B 2 -6.039 -1.126 -12.837 1.00 0.00 C ATOM 1205 CD ARG B 2 -5.745 -1.153 -14.345 1.00 0.00 C ATOM 1206 NE ARG B 2 -6.800 -0.461 -15.127 1.00 0.00 N ATOM 1207 CZ ARG B 2 -6.643 0.378 -16.138 1.00 0.00 C ATOM 1208 NH1 ARG B 2 -5.474 0.732 -16.586 1.00 0.00 N1+ ATOM 1209 NH2 ARG B 2 -7.684 0.911 -16.706 1.00 0.00 N ATOM 0 H ARG B 2 -5.705 -0.526 -9.944 1.00 0.00 H new ATOM 0 HA ARG B 2 -7.231 1.607 -10.964 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -6.390 0.983 -13.085 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -5.122 0.601 -11.937 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -5.261 -1.678 -12.309 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -6.981 -1.640 -12.645 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -4.782 -0.679 -14.536 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -5.664 -2.187 -14.681 1.00 0.00 H new ATOM 0 HE ARG B 2 -7.763 -0.656 -14.852 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -4.628 0.359 -16.155 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -5.403 1.382 -17.369 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -8.620 0.682 -16.372 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -7.564 1.558 -17.485 1.00 0.00 H new ATOM 1223 N THR B 3 -9.213 0.617 -12.351 1.00 0.00 N ATOM 1224 CA THR B 3 -10.483 0.100 -12.895 1.00 0.00 C ATOM 1225 C THR B 3 -10.888 0.781 -14.224 1.00 0.00 C ATOM 1226 O THR B 3 -10.013 1.052 -15.052 1.00 0.00 O ATOM 1227 CB THR B 3 -11.567 0.133 -11.784 1.00 0.00 C ATOM 1228 OG1 THR B 3 -12.754 -0.475 -12.239 1.00 0.00 O ATOM 1229 CG2 THR B 3 -11.918 1.538 -11.288 1.00 0.00 C ATOM 0 H THR B 3 -8.946 1.526 -12.728 1.00 0.00 H new ATOM 0 HA THR B 3 -10.356 -0.943 -13.185 1.00 0.00 H new ATOM 0 HB THR B 3 -11.130 -0.412 -10.947 1.00 0.00 H new ATOM 0 HG1 THR B 3 -12.559 -1.385 -12.545 1.00 0.00 H new ATOM 0 HG21 THR B 3 -12.682 1.470 -10.514 1.00 0.00 H new ATOM 0 HG22 THR B 3 -11.027 2.012 -10.877 1.00 0.00 H new ATOM 0 HG23 THR B 3 -12.296 2.134 -12.119 1.00 0.00 H new HETATM 1237 N MLZ B 4 -12.189 0.957 -14.483 1.00 0.00 N HETATM 1238 CA MLZ B 4 -12.825 1.300 -15.752 1.00 0.00 C HETATM 1239 CB MLZ B 4 -13.346 -0.017 -16.405 1.00 0.00 C HETATM 1240 CG MLZ B 4 -12.750 -1.373 -15.996 1.00 0.00 C HETATM 1241 CD MLZ B 4 -13.557 -2.491 -16.669 1.00 0.00 C HETATM 1242 CE MLZ B 4 -12.965 -3.906 -16.493 1.00 0.00 C HETATM 1243 NZ MLZ B 4 -12.505 -4.473 -17.791 1.00 0.00 N HETATM 1244 CM MLZ B 4 -12.044 -5.866 -17.558 1.00 0.00 C HETATM 1245 C MLZ B 4 -13.978 2.310 -15.498 1.00 0.00 C HETATM 1246 O MLZ B 4 -14.899 1.998 -14.744 1.00 0.00 O HETATM 0 HCM3 MLZ B 4 -11.223 -5.862 -16.841 1.00 0.00 H new HETATM 0 HCM2 MLZ B 4 -12.868 -6.461 -17.163 1.00 0.00 H new HETATM 0 HCM1 MLZ B 4 -11.703 -6.298 -18.499 1.00 0.00 H new HETATM 0 HZ MLZ B 4 -12.506 -3.987 -18.688 1.00 0.00 H new HETATM 0 HG3 MLZ B 4 -11.703 -1.431 -16.295 1.00 0.00 H new HETATM 0 HG2 MLZ B 4 -12.779 -1.487 -14.912 1.00 0.00 H new HETATM 0 HE3 MLZ B 4 -12.128 -3.867 -15.795 1.00 0.00 H new HETATM 0 HE2 MLZ B 4 -13.716 -4.563 -16.054 1.00 0.00 H new HETATM 0 HD3 MLZ B 4 -14.570 -2.483 -16.267 1.00 0.00 H new HETATM 0 HD2 MLZ B 4 -13.635 -2.274 -17.734 1.00 0.00 H new HETATM 0 HB3 MLZ B 4 -14.419 -0.067 -16.219 1.00 0.00 H new HETATM 0 HB2 MLZ B 4 -13.213 0.082 -17.482 1.00 0.00 H new HETATM 0 HA MLZ B 4 -12.117 1.775 -16.431 1.00 0.00 H new ATOM 1262 N GLN B 5 -13.966 3.501 -16.109 1.00 0.00 N ATOM 1263 CA GLN B 5 -14.987 4.539 -15.836 1.00 0.00 C ATOM 1264 C GLN B 5 -16.336 4.361 -16.574 1.00 0.00 C ATOM 1265 O GLN B 5 -17.359 4.847 -16.097 1.00 0.00 O ATOM 1266 CB GLN B 5 -14.390 5.930 -16.086 1.00 0.00 C ATOM 1267 CG GLN B 5 -14.197 6.297 -17.571 1.00 0.00 C ATOM 1268 CD GLN B 5 -13.497 7.643 -17.788 1.00 0.00 C ATOM 1269 OE1 GLN B 5 -13.007 8.300 -16.880 1.00 0.00 O ATOM 1270 NE2 GLN B 5 -13.416 8.107 -19.018 1.00 0.00 N ATOM 0 H GLN B 5 -13.264 3.777 -16.796 1.00 0.00 H new ATOM 0 HA GLN B 5 -15.251 4.423 -14.785 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -15.037 6.675 -15.624 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -13.425 5.991 -15.584 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -13.616 5.513 -18.057 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -15.171 6.321 -18.059 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -13.817 7.576 -19.791 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -12.952 8.997 -19.198 1.00 0.00 H new ATOM 1279 N THR B 6 -16.330 3.662 -17.714 1.00 0.00 N ATOM 1280 CA THR B 6 -17.451 3.409 -18.657 1.00 0.00 C ATOM 1281 C THR B 6 -18.145 4.647 -19.259 1.00 0.00 C ATOM 1282 O THR B 6 -17.984 5.779 -18.803 1.00 0.00 O ATOM 1283 CB THR B 6 -18.490 2.377 -18.144 1.00 0.00 C ATOM 1284 OG1 THR B 6 -18.433 2.133 -16.759 1.00 0.00 O ATOM 1285 CG2 THR B 6 -18.302 1.032 -18.846 1.00 0.00 C ATOM 0 H THR B 6 -15.472 3.216 -18.038 1.00 0.00 H new ATOM 0 HA THR B 6 -16.918 2.960 -19.495 1.00 0.00 H new ATOM 0 HB THR B 6 -19.457 2.827 -18.369 1.00 0.00 H new ATOM 0 HG1 THR B 6 -18.151 1.208 -16.601 1.00 0.00 H new ATOM 0 HG21 THR B 6 -19.039 0.321 -18.473 1.00 0.00 H new ATOM 0 HG22 THR B 6 -18.433 1.161 -19.920 1.00 0.00 H new ATOM 0 HG23 THR B 6 -17.300 0.654 -18.645 1.00 0.00 H new ATOM 1293 N ALA B 7 -18.905 4.417 -20.340 1.00 0.00 N ATOM 1294 CA ALA B 7 -19.650 5.438 -21.092 1.00 0.00 C ATOM 1295 C ALA B 7 -21.052 4.963 -21.562 1.00 0.00 C ATOM 1296 O ALA B 7 -21.658 5.575 -22.447 1.00 0.00 O ATOM 1297 CB ALA B 7 -18.763 5.908 -22.255 1.00 0.00 C ATOM 0 H ALA B 7 -19.022 3.481 -20.729 1.00 0.00 H new ATOM 0 HA ALA B 7 -19.869 6.276 -20.430 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -19.291 6.667 -22.832 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -17.839 6.330 -21.860 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -18.529 5.061 -22.900 1.00 0.00 H new ATOM 1303 N ARG B 8 -21.567 3.863 -20.989 1.00 0.00 N ATOM 1304 CA ARG B 8 -22.905 3.319 -21.192 1.00 0.00 C ATOM 1305 C ARG B 8 -23.891 3.928 -20.185 1.00 0.00 C ATOM 1306 O ARG B 8 -23.565 4.798 -19.374 1.00 0.00 O ATOM 1307 CB ARG B 8 -22.835 1.772 -21.141 1.00 0.00 C ATOM 1308 CG ARG B 8 -22.342 1.197 -19.798 1.00 0.00 C ATOM 1309 CD ARG B 8 -22.616 -0.306 -19.643 1.00 0.00 C ATOM 1310 NE ARG B 8 -21.961 -1.122 -20.685 1.00 0.00 N ATOM 1311 CZ ARG B 8 -21.657 -2.403 -20.622 1.00 0.00 C ATOM 1312 NH1 ARG B 8 -21.886 -3.137 -19.570 1.00 0.00 N1+ ATOM 1313 NH2 ARG B 8 -21.112 -2.973 -21.652 1.00 0.00 N ATOM 0 H ARG B 8 -21.022 3.302 -20.334 1.00 0.00 H new ATOM 0 HA ARG B 8 -23.286 3.591 -22.176 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -23.826 1.369 -21.352 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -22.174 1.425 -21.935 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -21.271 1.375 -19.706 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -22.826 1.733 -18.982 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -22.271 -0.633 -18.662 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -23.692 -0.479 -19.676 1.00 0.00 H new ATOM 0 HE ARG B 8 -21.716 -0.640 -21.550 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -22.320 -2.724 -18.744 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -21.632 -4.125 -19.572 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -20.924 -2.431 -22.495 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -20.871 -3.964 -21.619 1.00 0.00 H new ATOM 1327 N TYR B 9 -25.103 3.414 -20.276 1.00 0.00 N ATOM 1328 CA TYR B 9 -26.315 3.759 -19.512 1.00 0.00 C ATOM 1329 C TYR B 9 -27.302 2.576 -19.387 1.00 0.00 C ATOM 1330 O TYR B 9 -27.224 1.614 -20.187 1.00 0.00 O ATOM 1331 CB TYR B 9 -26.978 5.003 -20.138 1.00 0.00 C ATOM 1332 CG TYR B 9 -27.376 4.877 -21.600 1.00 0.00 C ATOM 1333 CD1 TYR B 9 -26.486 5.291 -22.613 1.00 0.00 C ATOM 1334 CD2 TYR B 9 -28.641 4.362 -21.948 1.00 0.00 C ATOM 1335 CE1 TYR B 9 -26.855 5.181 -23.968 1.00 0.00 C ATOM 1336 CE2 TYR B 9 -29.014 4.252 -23.302 1.00 0.00 C ATOM 1337 CZ TYR B 9 -28.120 4.661 -24.318 1.00 0.00 C ATOM 1338 OH TYR B 9 -28.471 4.559 -25.629 1.00 0.00 O ATOM 1339 OXT TYR B 9 -28.140 2.602 -18.456 1.00 0.00 O ATOM 0 H TYR B 9 -25.296 2.671 -20.948 1.00 0.00 H new ATOM 0 HA TYR B 9 -26.017 3.993 -18.490 1.00 0.00 H new ATOM 0 HB2 TYR B 9 -27.868 5.247 -19.559 1.00 0.00 H new ATOM 0 HB3 TYR B 9 -26.293 5.845 -20.039 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -25.519 5.693 -22.349 1.00 0.00 H new ATOM 0 HD2 TYR B 9 -29.327 4.051 -21.174 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -26.169 5.495 -24.741 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -29.984 3.855 -23.564 1.00 0.00 H new ATOM 0 HH TYR B 9 -29.373 4.181 -25.698 1.00 0.00 H new TER 1349 TYR B 9 HETATM 1350 ZN ZN A1001 -13.057 -11.510 -5.594 1.00 0.00 ZN