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 Set 1.1: A 908 GLN : amide:sc= 1.56 K(o=3.3,f=0.63) USER MOD Set 1.2: A 912 ASN : amide:sc= 1.73 K(o=3.3,f=-2.5!) USER MOD Single : A 851 SER OG : rot 180:sc= 0 USER MOD Single : A 855 SER OG : rot -120:sc= 0.334 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 153:sc= 0.0196 USER MOD Single : A 873 LYS NZ :NH3+ -175:sc= 2.39 (180deg=2.35) 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 53:sc= 0.455 USER MOD Single : A 894 MET CE :methyl 173:sc= 0 (180deg=-0.0583) USER MOD Single : A 895 ASN : amide:sc= 2.16 K(o=2.2,f=-0.012) USER MOD Single : A 896 ASN : amide:sc= 0.121 K(o=0.12,f=-3.6!) 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= 0.236 USER MOD Single : A 910 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 911 SER OG : rot 180:sc=0.000795 USER MOD Single : A 916 ASN : amide:sc= 0.842 K(o=0.84,f=-5!) USER MOD Single : A 923 GLN : amide:sc= -1.66 K(o=-1.7,f=-0.5) USER MOD Single : B 1 ALA N :NH3+ -168:sc= 0.903 (180deg=0.764) USER MOD Single : B 3 THR OG1 : rot 51:sc= -0.108 USER MOD Single : B 5 GLN : amide:sc= 2.08 K(o=2.1,f=-7.5!) USER MOD Single : B 6 THR OG1 : rot 160:sc= 0.587 USER MOD Single : B 9 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 850 -5.111 -11.022 -5.631 1.00 0.00 N ATOM 2 CA GLY A 850 -4.267 -10.718 -6.805 1.00 0.00 C ATOM 3 C GLY A 850 -3.534 -9.402 -6.617 1.00 0.00 C ATOM 4 O GLY A 850 -4.041 -8.356 -7.016 1.00 0.00 O ATOM 0 HA2 GLY A 850 -3.547 -11.522 -6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 850 -4.886 -10.670 -7.701 1.00 0.00 H new ATOM 10 N SER A 851 -2.339 -9.434 -6.015 1.00 0.00 N ATOM 11 CA SER A 851 -1.609 -8.243 -5.519 1.00 0.00 C ATOM 12 C SER A 851 -1.043 -7.300 -6.592 1.00 0.00 C ATOM 13 O SER A 851 -0.600 -6.193 -6.282 1.00 0.00 O ATOM 14 CB SER A 851 -0.477 -8.683 -4.580 1.00 0.00 C ATOM 15 OG SER A 851 -0.963 -9.568 -3.580 1.00 0.00 O ATOM 0 H SER A 851 -1.834 -10.305 -5.852 1.00 0.00 H new ATOM 0 HA SER A 851 -2.366 -7.655 -4.999 1.00 0.00 H new ATOM 0 HB2 SER A 851 0.308 -9.174 -5.155 1.00 0.00 H new ATOM 0 HB3 SER A 851 -0.028 -7.808 -4.110 1.00 0.00 H new ATOM 0 HG SER A 851 -0.225 -9.837 -2.994 1.00 0.00 H new ATOM 21 N ARG A 852 -1.113 -7.696 -7.865 1.00 0.00 N ATOM 22 CA ARG A 852 -0.770 -6.909 -9.067 1.00 0.00 C ATOM 23 C ARG A 852 -1.896 -5.924 -9.424 1.00 0.00 C ATOM 24 O ARG A 852 -2.426 -5.930 -10.539 1.00 0.00 O ATOM 25 CB ARG A 852 -0.415 -7.864 -10.226 1.00 0.00 C ATOM 26 CG ARG A 852 0.827 -8.718 -9.925 1.00 0.00 C ATOM 27 CD ARG A 852 1.139 -9.644 -11.107 1.00 0.00 C ATOM 28 NE ARG A 852 2.348 -10.457 -10.859 1.00 0.00 N ATOM 29 CZ ARG A 852 3.604 -10.128 -11.112 1.00 0.00 C ATOM 30 NH1 ARG A 852 3.936 -8.978 -11.629 1.00 0.00 N1+ ATOM 31 NH2 ARG A 852 4.568 -10.962 -10.843 1.00 0.00 N ATOM 0 H ARG A 852 -1.431 -8.635 -8.107 1.00 0.00 H new ATOM 0 HA ARG A 852 0.109 -6.297 -8.864 1.00 0.00 H new ATOM 0 HB2 ARG A 852 -1.263 -8.519 -10.425 1.00 0.00 H new ATOM 0 HB3 ARG A 852 -0.242 -7.283 -11.132 1.00 0.00 H new ATOM 0 HG2 ARG A 852 1.681 -8.071 -9.726 1.00 0.00 H new ATOM 0 HG3 ARG A 852 0.660 -9.310 -9.025 1.00 0.00 H new ATOM 0 HD2 ARG A 852 0.289 -10.302 -11.289 1.00 0.00 H new ATOM 0 HD3 ARG A 852 1.279 -9.048 -12.009 1.00 0.00 H new ATOM 0 HE ARG A 852 2.197 -11.377 -10.445 1.00 0.00 H new ATOM 0 HH11 ARG A 852 3.215 -8.293 -11.854 1.00 0.00 H new ATOM 0 HH12 ARG A 852 4.917 -8.764 -11.809 1.00 0.00 H new ATOM 0 HH21 ARG A 852 4.356 -11.873 -10.436 1.00 0.00 H new ATOM 0 HH22 ARG A 852 5.535 -10.704 -11.040 1.00 0.00 H new ATOM 45 N ARG A 853 -2.349 -5.154 -8.430 1.00 0.00 N ATOM 46 CA ARG A 853 -3.524 -4.258 -8.515 1.00 0.00 C ATOM 47 C ARG A 853 -3.300 -3.032 -9.401 1.00 0.00 C ATOM 48 O ARG A 853 -4.224 -2.621 -10.101 1.00 0.00 O ATOM 49 CB ARG A 853 -3.969 -3.797 -7.121 1.00 0.00 C ATOM 50 CG ARG A 853 -4.219 -4.941 -6.129 1.00 0.00 C ATOM 51 CD ARG A 853 -5.035 -4.450 -4.930 1.00 0.00 C ATOM 52 NE ARG A 853 -4.344 -3.416 -4.129 1.00 0.00 N ATOM 53 CZ ARG A 853 -4.919 -2.426 -3.465 1.00 0.00 C ATOM 54 NH1 ARG A 853 -6.203 -2.238 -3.458 1.00 0.00 N1+ ATOM 55 NH2 ARG A 853 -4.210 -1.575 -2.782 1.00 0.00 N ATOM 0 H ARG A 853 -1.901 -5.131 -7.514 1.00 0.00 H new ATOM 0 HA ARG A 853 -4.307 -4.856 -8.981 1.00 0.00 H new ATOM 0 HB2 ARG A 853 -3.207 -3.135 -6.710 1.00 0.00 H new ATOM 0 HB3 ARG A 853 -4.882 -3.210 -7.219 1.00 0.00 H new ATOM 0 HG2 ARG A 853 -4.749 -5.752 -6.628 1.00 0.00 H new ATOM 0 HG3 ARG A 853 -3.267 -5.346 -5.786 1.00 0.00 H new ATOM 0 HD2 ARG A 853 -5.984 -4.048 -5.286 1.00 0.00 H new ATOM 0 HD3 ARG A 853 -5.269 -5.299 -4.288 1.00 0.00 H new ATOM 0 HE ARG A 853 -3.326 -3.471 -4.084 1.00 0.00 H new ATOM 0 HH11 ARG A 853 -6.813 -2.867 -3.979 1.00 0.00 H new ATOM 0 HH12 ARG A 853 -6.602 -1.461 -2.931 1.00 0.00 H new ATOM 0 HH21 ARG A 853 -3.194 -1.665 -2.753 1.00 0.00 H new ATOM 0 HH22 ARG A 853 -4.670 -0.818 -2.276 1.00 0.00 H new ATOM 69 N ALA A 854 -2.086 -2.484 -9.348 1.00 0.00 N ATOM 70 CA ALA A 854 -1.604 -1.295 -10.066 1.00 0.00 C ATOM 71 C ALA A 854 -2.420 -0.001 -9.827 1.00 0.00 C ATOM 72 O ALA A 854 -3.498 -0.025 -9.234 1.00 0.00 O ATOM 73 CB ALA A 854 -1.450 -1.649 -11.555 1.00 0.00 C ATOM 0 H ALA A 854 -1.357 -2.887 -8.759 1.00 0.00 H new ATOM 0 HA ALA A 854 -0.632 -1.033 -9.647 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -1.093 -0.776 -12.101 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -0.733 -2.463 -11.663 1.00 0.00 H new ATOM 0 HB3 ALA A 854 -2.415 -1.959 -11.957 1.00 0.00 H new ATOM 79 N SER A 855 -1.869 1.127 -10.292 1.00 0.00 N ATOM 80 CA SER A 855 -2.514 2.425 -10.589 1.00 0.00 C ATOM 81 C SER A 855 -3.818 2.783 -9.834 1.00 0.00 C ATOM 82 O SER A 855 -3.889 2.702 -8.605 1.00 0.00 O ATOM 83 CB SER A 855 -2.591 2.606 -12.116 1.00 0.00 C ATOM 84 OG SER A 855 -3.540 1.734 -12.704 1.00 0.00 O ATOM 0 H SER A 855 -0.869 1.164 -10.490 1.00 0.00 H new ATOM 0 HA SER A 855 -1.861 3.182 -10.154 1.00 0.00 H new ATOM 0 HB2 SER A 855 -2.855 3.638 -12.346 1.00 0.00 H new ATOM 0 HB3 SER A 855 -1.610 2.423 -12.553 1.00 0.00 H new ATOM 0 HG SER A 855 -3.092 1.152 -13.352 1.00 0.00 H new ATOM 90 N VAL A 856 -4.816 3.314 -10.549 1.00 0.00 N ATOM 91 CA VAL A 856 -5.792 4.291 -10.024 1.00 0.00 C ATOM 92 C VAL A 856 -7.248 4.039 -10.435 1.00 0.00 C ATOM 93 O VAL A 856 -7.552 3.315 -11.387 1.00 0.00 O ATOM 94 CB VAL A 856 -5.383 5.736 -10.403 1.00 0.00 C ATOM 95 CG1 VAL A 856 -4.024 6.117 -9.814 1.00 0.00 C ATOM 96 CG2 VAL A 856 -5.356 5.987 -11.917 1.00 0.00 C ATOM 0 H VAL A 856 -4.976 3.076 -11.528 1.00 0.00 H new ATOM 0 HA VAL A 856 -5.761 4.157 -8.943 1.00 0.00 H new ATOM 0 HB VAL A 856 -6.161 6.366 -9.971 1.00 0.00 H new ATOM 0 HG11 VAL A 856 -3.775 7.138 -10.104 1.00 0.00 H new ATOM 0 HG12 VAL A 856 -4.066 6.049 -8.727 1.00 0.00 H new ATOM 0 HG13 VAL A 856 -3.260 5.436 -10.191 1.00 0.00 H new ATOM 0 HG21 VAL A 856 -5.062 7.019 -12.110 1.00 0.00 H new ATOM 0 HG22 VAL A 856 -4.640 5.312 -12.385 1.00 0.00 H new ATOM 0 HG23 VAL A 856 -6.348 5.809 -12.333 1.00 0.00 H new ATOM 106 N GLY A 857 -8.138 4.716 -9.712 1.00 0.00 N ATOM 107 CA GLY A 857 -9.576 4.806 -9.921 1.00 0.00 C ATOM 108 C GLY A 857 -10.079 6.109 -9.291 1.00 0.00 C ATOM 109 O GLY A 857 -9.762 6.412 -8.139 1.00 0.00 O ATOM 0 H GLY A 857 -7.845 5.259 -8.900 1.00 0.00 H new ATOM 0 HA2 GLY A 857 -9.806 4.787 -10.986 1.00 0.00 H new ATOM 0 HA3 GLY A 857 -10.078 3.949 -9.471 1.00 0.00 H new ATOM 113 N SER A 858 -10.813 6.893 -10.075 1.00 0.00 N ATOM 114 CA SER A 858 -11.404 8.188 -9.692 1.00 0.00 C ATOM 115 C SER A 858 -12.698 8.434 -10.470 1.00 0.00 C ATOM 116 O SER A 858 -12.813 8.027 -11.627 1.00 0.00 O ATOM 117 CB SER A 858 -10.441 9.353 -9.976 1.00 0.00 C ATOM 118 OG SER A 858 -9.184 9.202 -9.331 1.00 0.00 O ATOM 0 H SER A 858 -11.026 6.639 -11.040 1.00 0.00 H new ATOM 0 HA SER A 858 -11.607 8.143 -8.622 1.00 0.00 H new ATOM 0 HB2 SER A 858 -10.284 9.434 -11.052 1.00 0.00 H new ATOM 0 HB3 SER A 858 -10.901 10.286 -9.650 1.00 0.00 H new ATOM 0 HG SER A 858 -8.612 9.968 -9.546 1.00 0.00 H new ATOM 124 N GLU A 859 -13.679 9.108 -9.867 1.00 0.00 N ATOM 125 CA GLU A 859 -14.941 9.448 -10.538 1.00 0.00 C ATOM 126 C GLU A 859 -14.776 10.635 -11.506 1.00 0.00 C ATOM 127 O GLU A 859 -14.199 11.668 -11.154 1.00 0.00 O ATOM 128 CB GLU A 859 -16.065 9.648 -9.501 1.00 0.00 C ATOM 129 CG GLU A 859 -15.962 10.869 -8.569 1.00 0.00 C ATOM 130 CD GLU A 859 -16.474 12.211 -9.150 1.00 0.00 C ATOM 131 OE1 GLU A 859 -16.049 13.281 -8.647 1.00 0.00 O ATOM 132 OE2 GLU A 859 -17.349 12.226 -10.051 1.00 0.00 O1- ATOM 0 H GLU A 859 -13.624 9.434 -8.902 1.00 0.00 H new ATOM 0 HA GLU A 859 -15.239 8.609 -11.166 1.00 0.00 H new ATOM 0 HB2 GLU A 859 -17.011 9.714 -10.039 1.00 0.00 H new ATOM 0 HB3 GLU A 859 -16.113 8.754 -8.880 1.00 0.00 H new ATOM 0 HG2 GLU A 859 -16.520 10.654 -7.658 1.00 0.00 H new ATOM 0 HG3 GLU A 859 -14.918 10.995 -8.281 1.00 0.00 H new ATOM 139 N PHE A 860 -15.305 10.482 -12.724 1.00 0.00 N ATOM 140 CA PHE A 860 -15.368 11.515 -13.766 1.00 0.00 C ATOM 141 C PHE A 860 -16.735 11.529 -14.469 1.00 0.00 C ATOM 142 O PHE A 860 -17.360 12.588 -14.568 1.00 0.00 O ATOM 143 CB PHE A 860 -14.240 11.311 -14.793 1.00 0.00 C ATOM 144 CG PHE A 860 -12.829 11.369 -14.234 1.00 0.00 C ATOM 145 CD1 PHE A 860 -12.294 12.592 -13.785 1.00 0.00 C ATOM 146 CD2 PHE A 860 -12.040 10.203 -14.175 1.00 0.00 C ATOM 147 CE1 PHE A 860 -10.984 12.646 -13.273 1.00 0.00 C ATOM 148 CE2 PHE A 860 -10.730 10.258 -13.666 1.00 0.00 C ATOM 149 CZ PHE A 860 -10.202 11.479 -13.212 1.00 0.00 C ATOM 0 H PHE A 860 -15.718 9.599 -13.024 1.00 0.00 H new ATOM 0 HA PHE A 860 -15.235 12.482 -13.281 1.00 0.00 H new ATOM 0 HB2 PHE A 860 -14.382 10.344 -15.275 1.00 0.00 H new ATOM 0 HB3 PHE A 860 -14.336 12.071 -15.569 1.00 0.00 H new ATOM 0 HD1 PHE A 860 -12.891 13.491 -13.834 1.00 0.00 H new ATOM 0 HD2 PHE A 860 -12.443 9.263 -14.522 1.00 0.00 H new ATOM 0 HE1 PHE A 860 -10.579 13.585 -12.926 1.00 0.00 H new ATOM 0 HE2 PHE A 860 -10.129 9.361 -13.624 1.00 0.00 H new ATOM 0 HZ PHE A 860 -9.198 11.521 -12.817 1.00 0.00 H new ATOM 159 N THR A 861 -17.226 10.363 -14.908 1.00 0.00 N ATOM 160 CA THR A 861 -18.541 10.182 -15.557 1.00 0.00 C ATOM 161 C THR A 861 -19.143 8.799 -15.305 1.00 0.00 C ATOM 162 O THR A 861 -18.487 7.774 -15.491 1.00 0.00 O ATOM 163 CB THR A 861 -18.517 10.422 -17.084 1.00 0.00 C ATOM 164 OG1 THR A 861 -17.271 10.098 -17.676 1.00 0.00 O ATOM 165 CG2 THR A 861 -18.871 11.864 -17.432 1.00 0.00 C ATOM 0 H THR A 861 -16.707 9.489 -14.821 1.00 0.00 H new ATOM 0 HA THR A 861 -19.164 10.945 -15.090 1.00 0.00 H new ATOM 0 HB THR A 861 -19.272 9.751 -17.493 1.00 0.00 H new ATOM 0 HG1 THR A 861 -17.313 10.267 -18.640 1.00 0.00 H new ATOM 0 HG21 THR A 861 -18.844 11.994 -18.514 1.00 0.00 H new ATOM 0 HG22 THR A 861 -19.871 12.092 -17.064 1.00 0.00 H new ATOM 0 HG23 THR A 861 -18.151 12.538 -16.967 1.00 0.00 H new ATOM 173 N GLU A 862 -20.436 8.800 -14.958 1.00 0.00 N ATOM 174 CA GLU A 862 -21.317 7.659 -14.704 1.00 0.00 C ATOM 175 C GLU A 862 -20.881 6.616 -13.646 1.00 0.00 C ATOM 176 O GLU A 862 -19.718 6.502 -13.256 1.00 0.00 O ATOM 177 CB GLU A 862 -21.721 7.042 -16.034 1.00 0.00 C ATOM 178 CG GLU A 862 -23.112 6.413 -16.008 1.00 0.00 C ATOM 179 CD GLU A 862 -24.225 7.180 -15.261 1.00 0.00 C ATOM 180 OE1 GLU A 862 -24.515 6.819 -14.096 1.00 0.00 O ATOM 181 OE2 GLU A 862 -24.774 8.163 -15.815 1.00 0.00 O1- ATOM 0 H GLU A 862 -20.935 9.681 -14.838 1.00 0.00 H new ATOM 0 HA GLU A 862 -22.183 8.079 -14.193 1.00 0.00 H new ATOM 0 HB2 GLU A 862 -21.691 7.810 -16.807 1.00 0.00 H new ATOM 0 HB3 GLU A 862 -20.991 6.282 -16.311 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -23.436 6.269 -17.039 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -23.026 5.423 -15.560 1.00 0.00 H new ATOM 188 N SER A 863 -21.851 5.821 -13.186 1.00 0.00 N ATOM 189 CA SER A 863 -21.647 4.575 -12.436 1.00 0.00 C ATOM 190 C SER A 863 -20.653 3.659 -13.157 1.00 0.00 C ATOM 191 O SER A 863 -20.717 3.467 -14.374 1.00 0.00 O ATOM 192 CB SER A 863 -22.981 3.853 -12.218 1.00 0.00 C ATOM 193 OG SER A 863 -23.841 4.660 -11.429 1.00 0.00 O ATOM 0 H SER A 863 -22.838 6.034 -13.330 1.00 0.00 H new ATOM 0 HA SER A 863 -21.229 4.831 -11.463 1.00 0.00 H new ATOM 0 HB2 SER A 863 -23.449 3.637 -13.178 1.00 0.00 H new ATOM 0 HB3 SER A 863 -22.811 2.896 -11.724 1.00 0.00 H new ATOM 0 HG SER A 863 -24.774 4.448 -11.641 1.00 0.00 H new ATOM 199 N ALA A 864 -19.715 3.098 -12.405 1.00 0.00 N ATOM 200 CA ALA A 864 -18.399 2.686 -12.881 1.00 0.00 C ATOM 201 C ALA A 864 -18.093 1.236 -12.496 1.00 0.00 C ATOM 202 O ALA A 864 -18.949 0.544 -11.950 1.00 0.00 O ATOM 203 CB ALA A 864 -17.399 3.656 -12.246 1.00 0.00 C ATOM 0 H ALA A 864 -19.853 2.910 -11.412 1.00 0.00 H new ATOM 0 HA ALA A 864 -18.345 2.720 -13.969 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -16.389 3.399 -12.566 1.00 0.00 H new ATOM 0 HB2 ALA A 864 -17.630 4.674 -12.559 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -17.465 3.587 -11.160 1.00 0.00 H new ATOM 209 N TRP A 865 -16.879 0.763 -12.761 1.00 0.00 N ATOM 210 CA TRP A 865 -16.396 -0.518 -12.237 1.00 0.00 C ATOM 211 C TRP A 865 -15.389 -0.369 -11.086 1.00 0.00 C ATOM 212 O TRP A 865 -14.938 0.729 -10.755 1.00 0.00 O ATOM 213 CB TRP A 865 -15.837 -1.312 -13.413 1.00 0.00 C ATOM 214 CG TRP A 865 -16.858 -1.542 -14.484 1.00 0.00 C ATOM 215 CD1 TRP A 865 -17.252 -0.648 -15.417 1.00 0.00 C ATOM 216 CD2 TRP A 865 -17.700 -2.713 -14.678 1.00 0.00 C ATOM 217 NE1 TRP A 865 -18.298 -1.166 -16.151 1.00 0.00 N ATOM 218 CE2 TRP A 865 -18.574 -2.466 -15.779 1.00 0.00 C ATOM 219 CE3 TRP A 865 -17.757 -3.984 -14.073 1.00 0.00 C ATOM 220 CZ2 TRP A 865 -19.430 -3.456 -16.277 1.00 0.00 C ATOM 221 CZ3 TRP A 865 -18.628 -4.980 -14.552 1.00 0.00 C ATOM 222 CH2 TRP A 865 -19.456 -4.717 -15.658 1.00 0.00 C ATOM 0 H TRP A 865 -16.200 1.253 -13.344 1.00 0.00 H new ATOM 0 HA TRP A 865 -17.226 -1.058 -11.782 1.00 0.00 H new ATOM 0 HB2 TRP A 865 -14.985 -0.779 -13.835 1.00 0.00 H new ATOM 0 HB3 TRP A 865 -15.467 -2.273 -13.056 1.00 0.00 H new ATOM 0 HD1 TRP A 865 -16.813 0.327 -15.566 1.00 0.00 H new ATOM 0 HE1 TRP A 865 -18.802 -0.655 -16.875 1.00 0.00 H new ATOM 0 HE3 TRP A 865 -17.121 -4.198 -13.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 865 -20.063 -3.252 -17.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 865 -18.661 -5.946 -14.070 1.00 0.00 H new ATOM 0 HH2 TRP A 865 -20.114 -5.487 -16.033 1.00 0.00 H new ATOM 233 N VAL A 866 -15.046 -1.508 -10.482 1.00 0.00 N ATOM 234 CA VAL A 866 -13.936 -1.696 -9.528 1.00 0.00 C ATOM 235 C VAL A 866 -13.349 -3.107 -9.667 1.00 0.00 C ATOM 236 O VAL A 866 -14.088 -4.054 -9.955 1.00 0.00 O ATOM 237 CB VAL A 866 -14.392 -1.376 -8.092 1.00 0.00 C ATOM 238 CG1 VAL A 866 -15.555 -2.256 -7.632 1.00 0.00 C ATOM 239 CG2 VAL A 866 -13.274 -1.487 -7.056 1.00 0.00 C ATOM 0 H VAL A 866 -15.558 -2.374 -10.650 1.00 0.00 H new ATOM 0 HA VAL A 866 -13.136 -0.994 -9.763 1.00 0.00 H new ATOM 0 HB VAL A 866 -14.716 -0.337 -8.148 1.00 0.00 H new ATOM 0 HG11 VAL A 866 -15.834 -1.987 -6.613 1.00 0.00 H new ATOM 0 HG12 VAL A 866 -16.408 -2.107 -8.294 1.00 0.00 H new ATOM 0 HG13 VAL A 866 -15.253 -3.303 -7.660 1.00 0.00 H new ATOM 0 HG21 VAL A 866 -13.668 -1.248 -6.068 1.00 0.00 H new ATOM 0 HG22 VAL A 866 -12.880 -2.503 -7.053 1.00 0.00 H new ATOM 0 HG23 VAL A 866 -12.475 -0.789 -7.307 1.00 0.00 H new ATOM 249 N ARG A 867 -12.023 -3.251 -9.504 1.00 0.00 N ATOM 250 CA ARG A 867 -11.332 -4.556 -9.462 1.00 0.00 C ATOM 251 C ARG A 867 -11.322 -5.122 -8.036 1.00 0.00 C ATOM 252 O ARG A 867 -11.051 -4.381 -7.090 1.00 0.00 O ATOM 253 CB ARG A 867 -9.887 -4.419 -9.994 1.00 0.00 C ATOM 254 CG ARG A 867 -9.482 -5.552 -10.953 1.00 0.00 C ATOM 255 CD ARG A 867 -8.041 -5.370 -11.456 1.00 0.00 C ATOM 256 NE ARG A 867 -7.080 -6.090 -10.591 1.00 0.00 N ATOM 257 CZ ARG A 867 -5.783 -6.222 -10.783 1.00 0.00 C ATOM 258 NH1 ARG A 867 -5.131 -5.561 -11.693 1.00 0.00 N1+ ATOM 259 NH2 ARG A 867 -5.083 -7.025 -10.038 1.00 0.00 N ATOM 0 H ARG A 867 -11.392 -2.457 -9.396 1.00 0.00 H new ATOM 0 HA ARG A 867 -11.877 -5.250 -10.103 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -9.786 -3.463 -10.508 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -9.197 -4.402 -9.151 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -9.573 -6.512 -10.444 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -10.166 -5.575 -11.802 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -7.960 -5.738 -12.479 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -7.791 -4.309 -11.478 1.00 0.00 H new ATOM 0 HE ARG A 867 -7.463 -6.532 -9.755 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -5.624 -4.904 -12.298 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -4.126 -5.699 -11.802 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -5.537 -7.559 -9.297 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -4.080 -7.121 -10.194 1.00 0.00 H new ATOM 273 N CYS A 868 -11.539 -6.425 -7.883 1.00 0.00 N ATOM 274 CA CYS A 868 -11.352 -7.125 -6.619 1.00 0.00 C ATOM 275 C CYS A 868 -9.850 -7.304 -6.288 1.00 0.00 C ATOM 276 O CYS A 868 -9.080 -7.858 -7.080 1.00 0.00 O ATOM 277 CB CYS A 868 -12.115 -8.451 -6.697 1.00 0.00 C ATOM 278 SG CYS A 868 -11.900 -9.415 -5.162 1.00 0.00 S ATOM 0 H CYS A 868 -11.853 -7.030 -8.642 1.00 0.00 H new ATOM 0 HA CYS A 868 -11.755 -6.538 -5.793 1.00 0.00 H new ATOM 0 HB2 CYS A 868 -13.174 -8.257 -6.864 1.00 0.00 H new ATOM 0 HB3 CYS A 868 -11.759 -9.031 -7.549 1.00 0.00 H new ATOM 283 N ASP A 869 -9.447 -6.859 -5.099 1.00 0.00 N ATOM 284 CA ASP A 869 -8.114 -7.095 -4.537 1.00 0.00 C ATOM 285 C ASP A 869 -7.798 -8.579 -4.254 1.00 0.00 C ATOM 286 O ASP A 869 -6.631 -8.976 -4.292 1.00 0.00 O ATOM 287 CB ASP A 869 -7.971 -6.334 -3.210 1.00 0.00 C ATOM 288 CG ASP A 869 -8.185 -4.821 -3.250 1.00 0.00 C ATOM 289 OD1 ASP A 869 -8.292 -4.253 -2.145 1.00 0.00 O ATOM 290 OD2 ASP A 869 -8.144 -4.173 -4.319 1.00 0.00 O1- ATOM 0 H ASP A 869 -10.050 -6.312 -4.484 1.00 0.00 H new ATOM 0 HA ASP A 869 -7.414 -6.746 -5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 869 -8.680 -6.758 -2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 869 -6.973 -6.524 -2.816 1.00 0.00 H new ATOM 295 N ASP A 870 -8.807 -9.400 -3.946 1.00 0.00 N ATOM 296 CA ASP A 870 -8.625 -10.775 -3.452 1.00 0.00 C ATOM 297 C ASP A 870 -8.454 -11.764 -4.614 1.00 0.00 C ATOM 298 O ASP A 870 -7.440 -12.464 -4.683 1.00 0.00 O ATOM 299 CB ASP A 870 -9.788 -11.165 -2.520 1.00 0.00 C ATOM 300 CG ASP A 870 -9.572 -12.468 -1.715 1.00 0.00 C ATOM 301 OD1 ASP A 870 -8.450 -13.028 -1.690 1.00 0.00 O ATOM 302 OD2 ASP A 870 -10.533 -12.919 -1.046 1.00 0.00 O1- ATOM 0 H ASP A 870 -9.786 -9.128 -4.033 1.00 0.00 H new ATOM 0 HA ASP A 870 -7.706 -10.819 -2.868 1.00 0.00 H new ATOM 0 HB2 ASP A 870 -9.962 -10.348 -1.820 1.00 0.00 H new ATOM 0 HB3 ASP A 870 -10.693 -11.271 -3.118 1.00 0.00 H new ATOM 307 N CYS A 871 -9.374 -11.731 -5.587 1.00 0.00 N ATOM 308 CA CYS A 871 -9.193 -12.372 -6.880 1.00 0.00 C ATOM 309 C CYS A 871 -8.582 -11.375 -7.903 1.00 0.00 C ATOM 310 O CYS A 871 -7.384 -11.083 -7.847 1.00 0.00 O ATOM 311 CB CYS A 871 -10.472 -13.172 -7.255 1.00 0.00 C ATOM 312 SG CYS A 871 -11.968 -12.233 -7.743 1.00 0.00 S ATOM 0 H CYS A 871 -10.270 -11.253 -5.490 1.00 0.00 H new ATOM 0 HA CYS A 871 -8.432 -13.152 -6.865 1.00 0.00 H new ATOM 0 HB2 CYS A 871 -10.217 -13.842 -8.076 1.00 0.00 H new ATOM 0 HB3 CYS A 871 -10.735 -13.798 -6.402 1.00 0.00 H new ATOM 317 N PHE A 872 -9.415 -10.870 -8.810 1.00 0.00 N ATOM 318 CA PHE A 872 -9.125 -9.903 -9.891 1.00 0.00 C ATOM 319 C PHE A 872 -10.363 -9.485 -10.718 1.00 0.00 C ATOM 320 O PHE A 872 -10.268 -8.608 -11.581 1.00 0.00 O ATOM 321 CB PHE A 872 -8.091 -10.475 -10.871 1.00 0.00 C ATOM 322 CG PHE A 872 -8.562 -11.651 -11.714 1.00 0.00 C ATOM 323 CD1 PHE A 872 -8.559 -12.955 -11.180 1.00 0.00 C ATOM 324 CD2 PHE A 872 -9.000 -11.444 -13.037 1.00 0.00 C ATOM 325 CE1 PHE A 872 -9.008 -14.040 -11.956 1.00 0.00 C ATOM 326 CE2 PHE A 872 -9.443 -12.530 -13.815 1.00 0.00 C ATOM 327 CZ PHE A 872 -9.451 -13.827 -13.273 1.00 0.00 C ATOM 0 H PHE A 872 -10.397 -11.144 -8.817 1.00 0.00 H new ATOM 0 HA PHE A 872 -8.748 -9.020 -9.375 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -7.771 -9.676 -11.541 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -7.213 -10.786 -10.304 1.00 0.00 H new ATOM 0 HD1 PHE A 872 -8.211 -13.123 -10.171 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -8.996 -10.448 -13.456 1.00 0.00 H new ATOM 0 HE1 PHE A 872 -9.012 -15.036 -11.540 1.00 0.00 H new ATOM 0 HE2 PHE A 872 -9.777 -12.367 -14.829 1.00 0.00 H new ATOM 0 HZ PHE A 872 -9.797 -14.659 -13.868 1.00 0.00 H new ATOM 337 N LYS A 873 -11.511 -10.132 -10.493 1.00 0.00 N ATOM 338 CA LYS A 873 -12.823 -9.854 -11.103 1.00 0.00 C ATOM 339 C LYS A 873 -13.188 -8.367 -11.124 1.00 0.00 C ATOM 340 O LYS A 873 -12.834 -7.622 -10.209 1.00 0.00 O ATOM 341 CB LYS A 873 -13.885 -10.605 -10.305 1.00 0.00 C ATOM 342 CG LYS A 873 -15.187 -10.780 -11.090 1.00 0.00 C ATOM 343 CD LYS A 873 -15.905 -12.052 -10.649 1.00 0.00 C ATOM 344 CE LYS A 873 -16.417 -11.922 -9.209 1.00 0.00 C ATOM 345 NZ LYS A 873 -16.761 -13.240 -8.634 1.00 0.00 N1+ ATOM 0 H LYS A 873 -11.556 -10.914 -9.839 1.00 0.00 H new ATOM 0 HA LYS A 873 -12.774 -10.181 -12.142 1.00 0.00 H new ATOM 0 HB2 LYS A 873 -13.499 -11.585 -10.023 1.00 0.00 H new ATOM 0 HB3 LYS A 873 -14.091 -10.065 -9.381 1.00 0.00 H new ATOM 0 HG2 LYS A 873 -15.833 -9.916 -10.933 1.00 0.00 H new ATOM 0 HG3 LYS A 873 -14.972 -10.827 -12.158 1.00 0.00 H new ATOM 0 HD2 LYS A 873 -16.741 -12.253 -11.319 1.00 0.00 H new ATOM 0 HD3 LYS A 873 -15.226 -12.901 -10.722 1.00 0.00 H new ATOM 0 HE2 LYS A 873 -15.656 -11.443 -8.593 1.00 0.00 H new ATOM 0 HE3 LYS A 873 -17.295 -11.276 -9.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 873 -17.183 -13.109 -7.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 873 -17.442 -13.722 -9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 873 -15.900 -13.818 -8.550 1.00 0.00 H new ATOM 359 N TRP A 874 -13.974 -7.965 -12.120 1.00 0.00 N ATOM 360 CA TRP A 874 -14.609 -6.647 -12.160 1.00 0.00 C ATOM 361 C TRP A 874 -16.035 -6.682 -11.609 1.00 0.00 C ATOM 362 O TRP A 874 -16.760 -7.664 -11.782 1.00 0.00 O ATOM 363 CB TRP A 874 -14.586 -6.086 -13.585 1.00 0.00 C ATOM 364 CG TRP A 874 -13.216 -6.008 -14.178 1.00 0.00 C ATOM 365 CD1 TRP A 874 -12.663 -6.889 -15.042 1.00 0.00 C ATOM 366 CD2 TRP A 874 -12.168 -5.049 -13.867 1.00 0.00 C ATOM 367 NE1 TRP A 874 -11.334 -6.564 -15.248 1.00 0.00 N ATOM 368 CE2 TRP A 874 -10.982 -5.443 -14.547 1.00 0.00 C ATOM 369 CE3 TRP A 874 -12.091 -3.899 -13.057 1.00 0.00 C ATOM 370 CZ2 TRP A 874 -9.779 -4.743 -14.447 1.00 0.00 C ATOM 371 CZ3 TRP A 874 -10.877 -3.201 -12.933 1.00 0.00 C ATOM 372 CH2 TRP A 874 -9.728 -3.594 -13.640 1.00 0.00 C ATOM 0 H TRP A 874 -14.191 -8.548 -12.929 1.00 0.00 H new ATOM 0 HA TRP A 874 -14.033 -5.984 -11.514 1.00 0.00 H new ATOM 0 HB2 TRP A 874 -15.213 -6.710 -14.222 1.00 0.00 H new ATOM 0 HB3 TRP A 874 -15.028 -5.090 -13.581 1.00 0.00 H new ATOM 0 HD1 TRP A 874 -13.180 -7.719 -15.501 1.00 0.00 H new ATOM 0 HE1 TRP A 874 -10.698 -7.092 -15.846 1.00 0.00 H new ATOM 0 HE3 TRP A 874 -12.967 -3.552 -12.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 874 -8.902 -5.079 -14.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 874 -10.826 -2.343 -12.279 1.00 0.00 H new ATOM 0 HH2 TRP A 874 -8.817 -3.020 -13.564 1.00 0.00 H new ATOM 383 N ARG A 875 -16.467 -5.575 -11.002 1.00 0.00 N ATOM 384 CA ARG A 875 -17.830 -5.376 -10.497 1.00 0.00 C ATOM 385 C ARG A 875 -18.316 -3.966 -10.777 1.00 0.00 C ATOM 386 O ARG A 875 -17.579 -3.008 -10.556 1.00 0.00 O ATOM 387 CB ARG A 875 -17.888 -5.677 -8.986 1.00 0.00 C ATOM 388 CG ARG A 875 -18.322 -7.114 -8.655 1.00 0.00 C ATOM 389 CD ARG A 875 -19.663 -7.526 -9.285 1.00 0.00 C ATOM 390 NE ARG A 875 -20.718 -6.488 -9.145 1.00 0.00 N ATOM 391 CZ ARG A 875 -21.795 -6.345 -9.898 1.00 0.00 C ATOM 392 NH1 ARG A 875 -22.162 -7.254 -10.751 1.00 0.00 N1+ ATOM 393 NH2 ARG A 875 -22.518 -5.271 -9.822 1.00 0.00 N ATOM 0 H ARG A 875 -15.863 -4.769 -10.843 1.00 0.00 H new ATOM 0 HA ARG A 875 -18.491 -6.068 -11.019 1.00 0.00 H new ATOM 0 HB2 ARG A 875 -16.905 -5.495 -8.551 1.00 0.00 H new ATOM 0 HB3 ARG A 875 -18.580 -4.980 -8.513 1.00 0.00 H new ATOM 0 HG2 ARG A 875 -17.548 -7.803 -8.992 1.00 0.00 H new ATOM 0 HG3 ARG A 875 -18.394 -7.220 -7.573 1.00 0.00 H new ATOM 0 HD2 ARG A 875 -19.510 -7.739 -10.343 1.00 0.00 H new ATOM 0 HD3 ARG A 875 -20.007 -8.450 -8.820 1.00 0.00 H new ATOM 0 HE ARG A 875 -20.598 -5.815 -8.388 1.00 0.00 H new ATOM 0 HH11 ARG A 875 -21.614 -8.108 -10.854 1.00 0.00 H new ATOM 0 HH12 ARG A 875 -22.998 -7.114 -11.318 1.00 0.00 H new ATOM 0 HH21 ARG A 875 -22.258 -4.526 -9.176 1.00 0.00 H new ATOM 0 HH22 ARG A 875 -23.347 -5.172 -10.408 1.00 0.00 H new ATOM 407 N ARG A 876 -19.557 -3.851 -11.254 1.00 0.00 N ATOM 408 CA ARG A 876 -20.232 -2.574 -11.483 1.00 0.00 C ATOM 409 C ARG A 876 -20.712 -1.986 -10.153 1.00 0.00 C ATOM 410 O ARG A 876 -21.330 -2.688 -9.348 1.00 0.00 O ATOM 411 CB ARG A 876 -21.383 -2.763 -12.490 1.00 0.00 C ATOM 412 CG ARG A 876 -21.905 -1.424 -13.031 1.00 0.00 C ATOM 413 CD ARG A 876 -20.971 -0.926 -14.134 1.00 0.00 C ATOM 414 NE ARG A 876 -21.353 0.398 -14.633 1.00 0.00 N ATOM 415 CZ ARG A 876 -22.146 0.634 -15.655 1.00 0.00 C ATOM 416 NH1 ARG A 876 -22.839 -0.284 -16.269 1.00 0.00 N1+ ATOM 417 NH2 ARG A 876 -22.251 1.845 -16.105 1.00 0.00 N ATOM 0 H ARG A 876 -20.131 -4.659 -11.496 1.00 0.00 H new ATOM 0 HA ARG A 876 -19.533 -1.859 -11.917 1.00 0.00 H new ATOM 0 HB2 ARG A 876 -21.039 -3.380 -13.321 1.00 0.00 H new ATOM 0 HB3 ARG A 876 -22.199 -3.302 -12.009 1.00 0.00 H new ATOM 0 HG2 ARG A 876 -22.915 -1.546 -13.422 1.00 0.00 H new ATOM 0 HG3 ARG A 876 -21.960 -0.690 -12.227 1.00 0.00 H new ATOM 0 HD2 ARG A 876 -19.951 -0.887 -13.752 1.00 0.00 H new ATOM 0 HD3 ARG A 876 -20.976 -1.638 -14.959 1.00 0.00 H new ATOM 0 HE ARG A 876 -20.970 1.207 -14.145 1.00 0.00 H new ATOM 0 HH11 ARG A 876 -22.784 -1.255 -15.962 1.00 0.00 H new ATOM 0 HH12 ARG A 876 -23.436 -0.031 -17.057 1.00 0.00 H new ATOM 0 HH21 ARG A 876 -21.722 2.599 -15.667 1.00 0.00 H new ATOM 0 HH22 ARG A 876 -22.862 2.044 -16.897 1.00 0.00 H new ATOM 431 N ILE A 877 -20.417 -0.709 -9.945 1.00 0.00 N ATOM 432 CA ILE A 877 -20.692 0.078 -8.731 1.00 0.00 C ATOM 433 C ILE A 877 -21.246 1.474 -9.073 1.00 0.00 C ATOM 434 O ILE A 877 -20.979 1.986 -10.163 1.00 0.00 O ATOM 435 CB ILE A 877 -19.399 0.201 -7.891 1.00 0.00 C ATOM 436 CG1 ILE A 877 -18.281 0.943 -8.667 1.00 0.00 C ATOM 437 CG2 ILE A 877 -18.971 -1.199 -7.418 1.00 0.00 C ATOM 438 CD1 ILE A 877 -17.031 1.257 -7.846 1.00 0.00 C ATOM 0 H ILE A 877 -19.949 -0.152 -10.660 1.00 0.00 H new ATOM 0 HA ILE A 877 -21.455 -0.442 -8.152 1.00 0.00 H new ATOM 0 HB ILE A 877 -19.595 0.812 -7.010 1.00 0.00 H new ATOM 0 HG12 ILE A 877 -17.992 0.338 -9.526 1.00 0.00 H new ATOM 0 HG13 ILE A 877 -18.687 1.877 -9.057 1.00 0.00 H new ATOM 0 HG21 ILE A 877 -18.060 -1.120 -6.825 1.00 0.00 H new ATOM 0 HG22 ILE A 877 -19.763 -1.635 -6.810 1.00 0.00 H new ATOM 0 HG23 ILE A 877 -18.786 -1.835 -8.284 1.00 0.00 H new ATOM 0 HD11 ILE A 877 -16.305 1.776 -8.472 1.00 0.00 H new ATOM 0 HD12 ILE A 877 -17.300 1.891 -7.001 1.00 0.00 H new ATOM 0 HD13 ILE A 877 -16.594 0.328 -7.478 1.00 0.00 H new ATOM 450 N PRO A 878 -21.958 2.155 -8.159 1.00 0.00 N ATOM 451 CA PRO A 878 -22.238 3.579 -8.318 1.00 0.00 C ATOM 452 C PRO A 878 -20.950 4.412 -8.221 1.00 0.00 C ATOM 453 O PRO A 878 -20.022 4.077 -7.479 1.00 0.00 O ATOM 454 CB PRO A 878 -23.242 3.919 -7.212 1.00 0.00 C ATOM 455 CG PRO A 878 -22.889 2.923 -6.107 1.00 0.00 C ATOM 456 CD PRO A 878 -22.472 1.673 -6.883 1.00 0.00 C ATOM 0 HA PRO A 878 -22.649 3.811 -9.300 1.00 0.00 H new ATOM 0 HB2 PRO A 878 -23.136 4.950 -6.874 1.00 0.00 H new ATOM 0 HB3 PRO A 878 -24.271 3.798 -7.550 1.00 0.00 H new ATOM 0 HG2 PRO A 878 -22.082 3.292 -5.475 1.00 0.00 H new ATOM 0 HG3 PRO A 878 -23.740 2.727 -5.455 1.00 0.00 H new ATOM 0 HD2 PRO A 878 -21.711 1.111 -6.341 1.00 0.00 H new ATOM 0 HD3 PRO A 878 -23.319 1.003 -7.030 1.00 0.00 H new ATOM 464 N ALA A 879 -20.899 5.539 -8.934 1.00 0.00 N ATOM 465 CA ALA A 879 -19.737 6.438 -8.953 1.00 0.00 C ATOM 466 C ALA A 879 -19.339 7.007 -7.571 1.00 0.00 C ATOM 467 O ALA A 879 -18.183 7.371 -7.362 1.00 0.00 O ATOM 468 CB ALA A 879 -20.058 7.576 -9.925 1.00 0.00 C ATOM 0 H ALA A 879 -21.669 5.859 -9.521 1.00 0.00 H new ATOM 0 HA ALA A 879 -18.871 5.856 -9.269 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -19.216 8.267 -9.967 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -20.240 7.166 -10.918 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -20.947 8.107 -9.583 1.00 0.00 H new ATOM 474 N SER A 880 -20.255 7.014 -6.598 1.00 0.00 N ATOM 475 CA SER A 880 -19.960 7.384 -5.202 1.00 0.00 C ATOM 476 C SER A 880 -18.964 6.424 -4.532 1.00 0.00 C ATOM 477 O SER A 880 -18.238 6.831 -3.624 1.00 0.00 O ATOM 478 CB SER A 880 -21.249 7.435 -4.370 1.00 0.00 C ATOM 479 OG SER A 880 -22.128 8.445 -4.847 1.00 0.00 O ATOM 0 H SER A 880 -21.231 6.762 -6.754 1.00 0.00 H new ATOM 0 HA SER A 880 -19.501 8.372 -5.238 1.00 0.00 H new ATOM 0 HB2 SER A 880 -21.748 6.467 -4.408 1.00 0.00 H new ATOM 0 HB3 SER A 880 -21.004 7.626 -3.325 1.00 0.00 H new ATOM 0 HG SER A 880 -22.942 8.455 -4.301 1.00 0.00 H new ATOM 485 N VAL A 881 -18.877 5.170 -5.001 1.00 0.00 N ATOM 486 CA VAL A 881 -17.857 4.202 -4.562 1.00 0.00 C ATOM 487 C VAL A 881 -16.583 4.367 -5.374 1.00 0.00 C ATOM 488 O VAL A 881 -15.498 4.326 -4.804 1.00 0.00 O ATOM 489 CB VAL A 881 -18.394 2.753 -4.603 1.00 0.00 C ATOM 490 CG1 VAL A 881 -17.369 1.675 -4.233 1.00 0.00 C ATOM 491 CG2 VAL A 881 -19.573 2.592 -3.634 1.00 0.00 C ATOM 0 H VAL A 881 -19.517 4.795 -5.701 1.00 0.00 H new ATOM 0 HA VAL A 881 -17.613 4.410 -3.520 1.00 0.00 H new ATOM 0 HB VAL A 881 -18.681 2.604 -5.644 1.00 0.00 H new ATOM 0 HG11 VAL A 881 -17.838 0.693 -4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 881 -16.530 1.718 -4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 881 -17.010 1.847 -3.218 1.00 0.00 H new ATOM 0 HG21 VAL A 881 -19.940 1.566 -3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 881 -19.244 2.820 -2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 881 -20.373 3.275 -3.918 1.00 0.00 H new ATOM 501 N VAL A 882 -16.674 4.659 -6.677 1.00 0.00 N ATOM 502 CA VAL A 882 -15.456 4.839 -7.496 1.00 0.00 C ATOM 503 C VAL A 882 -14.692 6.132 -7.166 1.00 0.00 C ATOM 504 O VAL A 882 -13.509 6.263 -7.471 1.00 0.00 O ATOM 505 CB VAL A 882 -15.727 4.673 -9.004 1.00 0.00 C ATOM 506 CG1 VAL A 882 -15.966 5.981 -9.767 1.00 0.00 C ATOM 507 CG2 VAL A 882 -14.550 3.961 -9.682 1.00 0.00 C ATOM 0 H VAL A 882 -17.552 4.775 -7.183 1.00 0.00 H new ATOM 0 HA VAL A 882 -14.787 4.025 -7.216 1.00 0.00 H new ATOM 0 HB VAL A 882 -16.648 4.092 -9.049 1.00 0.00 H new ATOM 0 HG11 VAL A 882 -16.147 5.761 -10.819 1.00 0.00 H new ATOM 0 HG12 VAL A 882 -16.833 6.493 -9.349 1.00 0.00 H new ATOM 0 HG13 VAL A 882 -15.088 6.621 -9.676 1.00 0.00 H new ATOM 0 HG21 VAL A 882 -14.756 3.851 -10.747 1.00 0.00 H new ATOM 0 HG22 VAL A 882 -13.642 4.549 -9.547 1.00 0.00 H new ATOM 0 HG23 VAL A 882 -14.414 2.976 -9.235 1.00 0.00 H new ATOM 517 N GLY A 883 -15.364 7.077 -6.503 1.00 0.00 N ATOM 518 CA GLY A 883 -14.750 8.261 -5.892 1.00 0.00 C ATOM 519 C GLY A 883 -14.154 8.010 -4.497 1.00 0.00 C ATOM 520 O GLY A 883 -13.301 8.777 -4.048 1.00 0.00 O ATOM 0 H GLY A 883 -16.375 7.040 -6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 883 -13.963 8.630 -6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 883 -15.500 9.049 -5.819 1.00 0.00 H new ATOM 524 N SER A 884 -14.577 6.938 -3.818 1.00 0.00 N ATOM 525 CA SER A 884 -14.061 6.511 -2.509 1.00 0.00 C ATOM 526 C SER A 884 -12.843 5.584 -2.639 1.00 0.00 C ATOM 527 O SER A 884 -11.833 5.791 -1.964 1.00 0.00 O ATOM 528 CB SER A 884 -15.187 5.834 -1.717 1.00 0.00 C ATOM 529 OG SER A 884 -14.746 5.471 -0.419 1.00 0.00 O ATOM 0 H SER A 884 -15.310 6.324 -4.173 1.00 0.00 H new ATOM 0 HA SER A 884 -13.719 7.395 -1.971 1.00 0.00 H new ATOM 0 HB2 SER A 884 -16.039 6.509 -1.640 1.00 0.00 H new ATOM 0 HB3 SER A 884 -15.530 4.947 -2.250 1.00 0.00 H new ATOM 0 HG SER A 884 -15.481 5.043 0.068 1.00 0.00 H new ATOM 535 N ILE A 885 -12.915 4.593 -3.538 1.00 0.00 N ATOM 536 CA ILE A 885 -11.845 3.623 -3.827 1.00 0.00 C ATOM 537 C ILE A 885 -10.801 4.299 -4.737 1.00 0.00 C ATOM 538 O ILE A 885 -11.140 4.701 -5.850 1.00 0.00 O ATOM 539 CB ILE A 885 -12.433 2.325 -4.453 1.00 0.00 C ATOM 540 CG1 ILE A 885 -13.090 1.340 -3.452 1.00 0.00 C ATOM 541 CG2 ILE A 885 -11.382 1.488 -5.199 1.00 0.00 C ATOM 542 CD1 ILE A 885 -14.185 1.964 -2.581 1.00 0.00 C ATOM 0 H ILE A 885 -13.748 4.438 -4.105 1.00 0.00 H new ATOM 0 HA ILE A 885 -11.351 3.318 -2.905 1.00 0.00 H new ATOM 0 HB ILE A 885 -13.190 2.736 -5.121 1.00 0.00 H new ATOM 0 HG12 ILE A 885 -13.516 0.505 -4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 885 -12.316 0.929 -2.804 1.00 0.00 H new ATOM 0 HG21 ILE A 885 -11.854 0.597 -5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 885 -10.953 2.080 -6.007 1.00 0.00 H new ATOM 0 HG23 ILE A 885 -10.593 1.193 -4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 885 -14.591 1.207 -1.910 1.00 0.00 H new ATOM 0 HD12 ILE A 885 -13.763 2.780 -1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 885 -14.981 2.349 -3.218 1.00 0.00 H new ATOM 554 N ASP A 886 -9.546 4.421 -4.285 1.00 0.00 N ATOM 555 CA ASP A 886 -8.484 5.169 -4.986 1.00 0.00 C ATOM 556 C ASP A 886 -7.232 4.348 -5.346 1.00 0.00 C ATOM 557 O ASP A 886 -7.248 3.117 -5.440 1.00 0.00 O ATOM 558 CB ASP A 886 -8.154 6.474 -4.222 1.00 0.00 C ATOM 559 CG ASP A 886 -7.227 6.420 -3.002 1.00 0.00 C ATOM 560 OD1 ASP A 886 -7.005 5.327 -2.449 1.00 0.00 O ATOM 561 OD2 ASP A 886 -6.716 7.493 -2.599 1.00 0.00 O1- ATOM 0 H ASP A 886 -9.232 3.999 -3.411 1.00 0.00 H new ATOM 0 HA ASP A 886 -8.892 5.431 -5.962 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -7.713 7.169 -4.937 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -9.099 6.909 -3.896 1.00 0.00 H new ATOM 566 N GLU A 887 -6.121 5.056 -5.568 1.00 0.00 N ATOM 567 CA GLU A 887 -4.776 4.497 -5.715 1.00 0.00 C ATOM 568 C GLU A 887 -4.402 3.506 -4.594 1.00 0.00 C ATOM 569 O GLU A 887 -3.658 2.558 -4.857 1.00 0.00 O ATOM 570 CB GLU A 887 -3.778 5.669 -5.756 1.00 0.00 C ATOM 571 CG GLU A 887 -2.339 5.235 -6.082 1.00 0.00 C ATOM 572 CD GLU A 887 -1.395 6.426 -6.367 1.00 0.00 C ATOM 573 OE1 GLU A 887 -0.507 6.298 -7.246 1.00 0.00 O ATOM 574 OE2 GLU A 887 -1.498 7.486 -5.702 1.00 0.00 O1- ATOM 0 H GLU A 887 -6.135 6.072 -5.653 1.00 0.00 H new ATOM 0 HA GLU A 887 -4.744 3.920 -6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 887 -4.109 6.392 -6.501 1.00 0.00 H new ATOM 0 HB3 GLU A 887 -3.787 6.178 -4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 887 -1.943 4.657 -5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 887 -2.353 4.575 -6.949 1.00 0.00 H new ATOM 581 N SER A 888 -4.942 3.669 -3.377 1.00 0.00 N ATOM 582 CA SER A 888 -4.482 2.913 -2.185 1.00 0.00 C ATOM 583 C SER A 888 -5.576 2.309 -1.286 1.00 0.00 C ATOM 584 O SER A 888 -5.252 1.523 -0.389 1.00 0.00 O ATOM 585 CB SER A 888 -3.481 3.747 -1.370 1.00 0.00 C ATOM 586 OG SER A 888 -4.100 4.845 -0.719 1.00 0.00 O ATOM 0 H SER A 888 -5.703 4.320 -3.184 1.00 0.00 H new ATOM 0 HA SER A 888 -3.990 2.034 -2.600 1.00 0.00 H new ATOM 0 HB2 SER A 888 -3.001 3.110 -0.627 1.00 0.00 H new ATOM 0 HB3 SER A 888 -2.695 4.115 -2.030 1.00 0.00 H new ATOM 0 HG SER A 888 -3.428 5.346 -0.212 1.00 0.00 H new ATOM 592 N SER A 889 -6.859 2.580 -1.547 1.00 0.00 N ATOM 593 CA SER A 889 -8.020 1.917 -0.921 1.00 0.00 C ATOM 594 C SER A 889 -8.045 0.393 -1.111 1.00 0.00 C ATOM 595 O SER A 889 -7.270 -0.170 -1.893 1.00 0.00 O ATOM 596 CB SER A 889 -9.317 2.468 -1.520 1.00 0.00 C ATOM 597 OG SER A 889 -9.422 3.862 -1.337 1.00 0.00 O ATOM 0 H SER A 889 -7.133 3.292 -2.224 1.00 0.00 H new ATOM 0 HA SER A 889 -7.933 2.125 0.145 1.00 0.00 H new ATOM 0 HB2 SER A 889 -9.354 2.236 -2.584 1.00 0.00 H new ATOM 0 HB3 SER A 889 -10.171 1.974 -1.056 1.00 0.00 H new ATOM 0 HG SER A 889 -8.613 4.298 -1.676 1.00 0.00 H new ATOM 603 N ARG A 890 -8.986 -0.281 -0.432 1.00 0.00 N ATOM 604 CA ARG A 890 -9.232 -1.719 -0.537 1.00 0.00 C ATOM 605 C ARG A 890 -10.701 -2.032 -0.832 1.00 0.00 C ATOM 606 O ARG A 890 -11.600 -1.517 -0.166 1.00 0.00 O ATOM 607 CB ARG A 890 -8.739 -2.454 0.724 1.00 0.00 C ATOM 608 CG ARG A 890 -7.211 -2.378 0.889 1.00 0.00 C ATOM 609 CD ARG A 890 -6.711 -3.231 2.063 1.00 0.00 C ATOM 610 NE ARG A 890 -7.169 -2.710 3.367 1.00 0.00 N ATOM 611 CZ ARG A 890 -7.005 -3.284 4.547 1.00 0.00 C ATOM 612 NH1 ARG A 890 -6.389 -4.425 4.684 1.00 0.00 N1+ ATOM 613 NH2 ARG A 890 -7.460 -2.714 5.626 1.00 0.00 N ATOM 0 H ARG A 890 -9.615 0.180 0.226 1.00 0.00 H new ATOM 0 HA ARG A 890 -8.657 -2.087 -1.387 1.00 0.00 H new ATOM 0 HB2 ARG A 890 -9.218 -2.023 1.603 1.00 0.00 H new ATOM 0 HB3 ARG A 890 -9.045 -3.499 0.675 1.00 0.00 H new ATOM 0 HG2 ARG A 890 -6.731 -2.712 -0.031 1.00 0.00 H new ATOM 0 HG3 ARG A 890 -6.915 -1.340 1.044 1.00 0.00 H new ATOM 0 HD2 ARG A 890 -7.061 -4.256 1.940 1.00 0.00 H new ATOM 0 HD3 ARG A 890 -5.622 -3.262 2.049 1.00 0.00 H new ATOM 0 HE ARG A 890 -7.662 -1.817 3.356 1.00 0.00 H new ATOM 0 HH11 ARG A 890 -6.015 -4.904 3.865 1.00 0.00 H new ATOM 0 HH12 ARG A 890 -6.281 -4.838 5.610 1.00 0.00 H new ATOM 0 HH21 ARG A 890 -7.946 -1.819 5.564 1.00 0.00 H new ATOM 0 HH22 ARG A 890 -7.330 -3.162 6.533 1.00 0.00 H new ATOM 627 N TRP A 891 -10.921 -2.890 -1.823 1.00 0.00 N ATOM 628 CA TRP A 891 -12.224 -3.385 -2.283 1.00 0.00 C ATOM 629 C TRP A 891 -12.177 -4.859 -2.726 1.00 0.00 C ATOM 630 O TRP A 891 -11.283 -5.250 -3.479 1.00 0.00 O ATOM 631 CB TRP A 891 -12.703 -2.506 -3.440 1.00 0.00 C ATOM 632 CG TRP A 891 -14.172 -2.567 -3.702 1.00 0.00 C ATOM 633 CD1 TRP A 891 -15.049 -1.662 -3.226 1.00 0.00 C ATOM 634 CD2 TRP A 891 -14.970 -3.552 -4.430 1.00 0.00 C ATOM 635 NE1 TRP A 891 -16.318 -1.957 -3.660 1.00 0.00 N ATOM 636 CE2 TRP A 891 -16.341 -3.141 -4.372 1.00 0.00 C ATOM 637 CE3 TRP A 891 -14.684 -4.751 -5.122 1.00 0.00 C ATOM 638 CZ2 TRP A 891 -17.372 -3.887 -4.954 1.00 0.00 C ATOM 639 CZ3 TRP A 891 -15.718 -5.514 -5.700 1.00 0.00 C ATOM 640 CH2 TRP A 891 -17.055 -5.086 -5.613 1.00 0.00 C ATOM 0 H TRP A 891 -10.151 -3.285 -2.362 1.00 0.00 H new ATOM 0 HA TRP A 891 -12.919 -3.333 -1.445 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -12.427 -1.472 -3.232 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -12.173 -2.801 -4.346 1.00 0.00 H new ATOM 0 HD1 TRP A 891 -14.791 -0.825 -2.594 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -17.138 -1.377 -3.480 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -13.661 -5.086 -5.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -18.395 -3.546 -4.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -15.482 -6.434 -6.214 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -17.840 -5.681 -6.054 1.00 0.00 H new ATOM 651 N ILE A 892 -13.155 -5.672 -2.305 1.00 0.00 N ATOM 652 CA ILE A 892 -13.293 -7.090 -2.695 1.00 0.00 C ATOM 653 C ILE A 892 -14.756 -7.497 -2.925 1.00 0.00 C ATOM 654 O ILE A 892 -15.672 -6.853 -2.400 1.00 0.00 O ATOM 655 CB ILE A 892 -12.650 -8.020 -1.640 1.00 0.00 C ATOM 656 CG1 ILE A 892 -13.372 -7.940 -0.279 1.00 0.00 C ATOM 657 CG2 ILE A 892 -11.145 -7.751 -1.489 1.00 0.00 C ATOM 658 CD1 ILE A 892 -13.068 -9.138 0.622 1.00 0.00 C ATOM 0 H ILE A 892 -13.890 -5.360 -1.670 1.00 0.00 H new ATOM 0 HA ILE A 892 -12.766 -7.201 -3.642 1.00 0.00 H new ATOM 0 HB ILE A 892 -12.768 -9.040 -2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 892 -13.077 -7.023 0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 892 -14.447 -7.880 -0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 892 -10.729 -8.424 -0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 892 -10.648 -7.920 -2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 892 -10.990 -6.718 -1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 892 -13.602 -9.028 1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 892 -13.388 -10.055 0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 892 -11.996 -9.185 0.815 1.00 0.00 H new ATOM 670 N CYS A 893 -14.978 -8.625 -3.607 1.00 0.00 N ATOM 671 CA CYS A 893 -16.297 -9.219 -3.794 1.00 0.00 C ATOM 672 C CYS A 893 -17.108 -9.349 -2.479 1.00 0.00 C ATOM 673 O CYS A 893 -18.292 -9.027 -2.479 1.00 0.00 O ATOM 674 CB CYS A 893 -16.172 -10.575 -4.509 1.00 0.00 C ATOM 675 SG CYS A 893 -15.341 -10.497 -6.132 1.00 0.00 S ATOM 0 H CYS A 893 -14.230 -9.157 -4.051 1.00 0.00 H new ATOM 0 HA CYS A 893 -16.865 -8.533 -4.422 1.00 0.00 H new ATOM 0 HB2 CYS A 893 -15.622 -11.262 -3.866 1.00 0.00 H new ATOM 0 HB3 CYS A 893 -17.169 -10.994 -4.645 1.00 0.00 H new ATOM 680 N MET A 894 -16.516 -9.794 -1.357 1.00 0.00 N ATOM 681 CA MET A 894 -17.280 -10.014 -0.109 1.00 0.00 C ATOM 682 C MET A 894 -17.918 -8.716 0.441 1.00 0.00 C ATOM 683 O MET A 894 -18.939 -8.753 1.129 1.00 0.00 O ATOM 684 CB MET A 894 -16.364 -10.677 0.933 1.00 0.00 C ATOM 685 CG MET A 894 -17.068 -11.112 2.227 1.00 0.00 C ATOM 686 SD MET A 894 -18.395 -12.342 2.055 1.00 0.00 S ATOM 687 CE MET A 894 -17.449 -13.784 1.489 1.00 0.00 C ATOM 0 H MET A 894 -15.521 -10.008 -1.285 1.00 0.00 H new ATOM 0 HA MET A 894 -18.115 -10.678 -0.335 1.00 0.00 H new ATOM 0 HB2 MET A 894 -15.895 -11.551 0.480 1.00 0.00 H new ATOM 0 HB3 MET A 894 -15.564 -9.982 1.187 1.00 0.00 H new ATOM 0 HG2 MET A 894 -16.316 -11.514 2.906 1.00 0.00 H new ATOM 0 HG3 MET A 894 -17.485 -10.225 2.703 1.00 0.00 H new ATOM 0 HE1 MET A 894 -18.101 -14.657 1.457 1.00 0.00 H new ATOM 0 HE2 MET A 894 -17.052 -13.590 0.493 1.00 0.00 H new ATOM 0 HE3 MET A 894 -16.625 -13.972 2.178 1.00 0.00 H new ATOM 697 N ASN A 895 -17.334 -7.559 0.106 1.00 0.00 N ATOM 698 CA ASN A 895 -17.809 -6.218 0.476 1.00 0.00 C ATOM 699 C ASN A 895 -18.840 -5.626 -0.516 1.00 0.00 C ATOM 700 O ASN A 895 -19.451 -4.595 -0.225 1.00 0.00 O ATOM 701 CB ASN A 895 -16.559 -5.328 0.694 1.00 0.00 C ATOM 702 CG ASN A 895 -16.469 -4.086 -0.183 1.00 0.00 C ATOM 703 OD1 ASN A 895 -16.577 -2.958 0.272 1.00 0.00 O ATOM 704 ND2 ASN A 895 -16.253 -4.257 -1.466 1.00 0.00 N ATOM 0 H ASN A 895 -16.482 -7.529 -0.454 1.00 0.00 H new ATOM 0 HA ASN A 895 -18.381 -6.273 1.402 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -16.537 -5.015 1.738 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -15.670 -5.935 0.524 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -16.175 -3.448 -2.082 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -16.163 -5.199 -1.847 1.00 0.00 H new ATOM 711 N ASN A 896 -19.014 -6.254 -1.685 1.00 0.00 N ATOM 712 CA ASN A 896 -19.834 -5.766 -2.801 1.00 0.00 C ATOM 713 C ASN A 896 -21.271 -5.406 -2.379 1.00 0.00 C ATOM 714 O ASN A 896 -21.955 -6.168 -1.690 1.00 0.00 O ATOM 715 CB ASN A 896 -19.826 -6.823 -3.925 1.00 0.00 C ATOM 716 CG ASN A 896 -20.597 -6.470 -5.186 1.00 0.00 C ATOM 717 OD1 ASN A 896 -21.035 -5.357 -5.422 1.00 0.00 O ATOM 718 ND2 ASN A 896 -20.801 -7.434 -6.048 1.00 0.00 N ATOM 0 H ASN A 896 -18.571 -7.150 -1.888 1.00 0.00 H new ATOM 0 HA ASN A 896 -19.396 -4.836 -3.164 1.00 0.00 H new ATOM 0 HB2 ASN A 896 -18.790 -7.021 -4.201 1.00 0.00 H new ATOM 0 HB3 ASN A 896 -20.232 -7.752 -3.524 1.00 0.00 H new ATOM 0 HD21 ASN A 896 -21.321 -7.250 -6.906 1.00 0.00 H new ATOM 0 HD22 ASN A 896 -20.440 -8.369 -5.862 1.00 0.00 H new ATOM 725 N SER A 897 -21.734 -4.256 -2.868 1.00 0.00 N ATOM 726 CA SER A 897 -23.105 -3.749 -2.735 1.00 0.00 C ATOM 727 C SER A 897 -24.184 -4.739 -3.184 1.00 0.00 C ATOM 728 O SER A 897 -25.211 -4.897 -2.522 1.00 0.00 O ATOM 729 CB SER A 897 -23.245 -2.506 -3.616 1.00 0.00 C ATOM 730 OG SER A 897 -22.504 -1.425 -3.073 1.00 0.00 O ATOM 0 H SER A 897 -21.136 -3.619 -3.394 1.00 0.00 H new ATOM 0 HA SER A 897 -23.258 -3.551 -1.674 1.00 0.00 H new ATOM 0 HB2 SER A 897 -22.893 -2.726 -4.624 1.00 0.00 H new ATOM 0 HB3 SER A 897 -24.296 -2.229 -3.699 1.00 0.00 H new ATOM 0 HG SER A 897 -22.603 -0.639 -3.649 1.00 0.00 H new ATOM 736 N ASP A 898 -23.958 -5.402 -4.317 1.00 0.00 N ATOM 737 CA ASP A 898 -24.884 -6.380 -4.896 1.00 0.00 C ATOM 738 C ASP A 898 -24.604 -7.800 -4.414 1.00 0.00 C ATOM 739 O ASP A 898 -23.712 -8.492 -4.907 1.00 0.00 O ATOM 740 CB ASP A 898 -24.873 -6.335 -6.426 1.00 0.00 C ATOM 741 CG ASP A 898 -25.474 -5.037 -6.982 1.00 0.00 C ATOM 742 OD1 ASP A 898 -26.719 -4.901 -6.905 1.00 0.00 O ATOM 743 OD2 ASP A 898 -24.726 -4.184 -7.511 1.00 0.00 O1- ATOM 0 H ASP A 898 -23.111 -5.274 -4.870 1.00 0.00 H new ATOM 0 HA ASP A 898 -25.877 -6.097 -4.547 1.00 0.00 H new ATOM 0 HB2 ASP A 898 -23.848 -6.438 -6.782 1.00 0.00 H new ATOM 0 HB3 ASP A 898 -25.432 -7.186 -6.815 1.00 0.00 H new ATOM 748 N LYS A 899 -25.475 -8.272 -3.523 1.00 0.00 N ATOM 749 CA LYS A 899 -25.490 -9.633 -2.952 1.00 0.00 C ATOM 750 C LYS A 899 -25.655 -10.737 -4.010 1.00 0.00 C ATOM 751 O LYS A 899 -25.334 -11.896 -3.752 1.00 0.00 O ATOM 752 CB LYS A 899 -26.602 -9.721 -1.891 1.00 0.00 C ATOM 753 CG LYS A 899 -26.406 -8.752 -0.710 1.00 0.00 C ATOM 754 CD LYS A 899 -25.448 -9.328 0.336 1.00 0.00 C ATOM 755 CE LYS A 899 -26.164 -10.355 1.224 1.00 0.00 C ATOM 756 NZ LYS A 899 -26.909 -9.715 2.342 1.00 0.00 N1+ ATOM 0 H LYS A 899 -26.230 -7.692 -3.157 1.00 0.00 H new ATOM 0 HA LYS A 899 -24.516 -9.808 -2.494 1.00 0.00 H new ATOM 0 HB2 LYS A 899 -27.562 -9.514 -2.365 1.00 0.00 H new ATOM 0 HB3 LYS A 899 -26.649 -10.741 -1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 899 -26.017 -7.803 -1.078 1.00 0.00 H new ATOM 0 HG3 LYS A 899 -27.370 -8.543 -0.246 1.00 0.00 H new ATOM 0 HD2 LYS A 899 -24.600 -9.799 -0.161 1.00 0.00 H new ATOM 0 HD3 LYS A 899 -25.049 -8.523 0.953 1.00 0.00 H new ATOM 0 HE2 LYS A 899 -26.856 -10.938 0.616 1.00 0.00 H new ATOM 0 HE3 LYS A 899 -25.432 -11.053 1.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 899 -27.375 -10.448 2.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 899 -26.247 -9.180 2.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 899 -27.626 -9.069 1.956 1.00 0.00 H new ATOM 770 N ARG A 900 -26.090 -10.360 -5.220 1.00 0.00 N ATOM 771 CA ARG A 900 -26.158 -11.198 -6.431 1.00 0.00 C ATOM 772 C ARG A 900 -24.769 -11.626 -6.930 1.00 0.00 C ATOM 773 O ARG A 900 -24.648 -12.660 -7.585 1.00 0.00 O ATOM 774 CB ARG A 900 -26.887 -10.413 -7.542 1.00 0.00 C ATOM 775 CG ARG A 900 -28.423 -10.361 -7.429 1.00 0.00 C ATOM 776 CD ARG A 900 -28.996 -9.659 -6.187 1.00 0.00 C ATOM 777 NE ARG A 900 -28.611 -8.232 -6.093 1.00 0.00 N ATOM 778 CZ ARG A 900 -28.941 -7.405 -5.114 1.00 0.00 C ATOM 779 NH1 ARG A 900 -29.617 -7.802 -4.074 1.00 0.00 N1+ ATOM 780 NH2 ARG A 900 -28.588 -6.154 -5.146 1.00 0.00 N ATOM 0 H ARG A 900 -26.423 -9.411 -5.392 1.00 0.00 H new ATOM 0 HA ARG A 900 -26.702 -12.108 -6.177 1.00 0.00 H new ATOM 0 HB2 ARG A 900 -26.507 -9.391 -7.548 1.00 0.00 H new ATOM 0 HB3 ARG A 900 -26.627 -10.855 -8.504 1.00 0.00 H new ATOM 0 HG2 ARG A 900 -28.813 -9.860 -8.315 1.00 0.00 H new ATOM 0 HG3 ARG A 900 -28.801 -11.383 -7.448 1.00 0.00 H new ATOM 0 HD2 ARG A 900 -30.083 -9.735 -6.204 1.00 0.00 H new ATOM 0 HD3 ARG A 900 -28.654 -10.180 -5.293 1.00 0.00 H new ATOM 0 HE ARG A 900 -28.041 -7.853 -6.850 1.00 0.00 H new ATOM 0 HH11 ARG A 900 -29.908 -8.776 -3.997 1.00 0.00 H new ATOM 0 HH12 ARG A 900 -29.855 -7.138 -3.337 1.00 0.00 H new ATOM 0 HH21 ARG A 900 -28.048 -5.796 -5.934 1.00 0.00 H new ATOM 0 HH22 ARG A 900 -28.851 -5.530 -4.383 1.00 0.00 H new ATOM 794 N PHE A 901 -23.730 -10.846 -6.614 1.00 0.00 N ATOM 795 CA PHE A 901 -22.357 -11.015 -7.110 1.00 0.00 C ATOM 796 C PHE A 901 -21.276 -10.765 -6.031 1.00 0.00 C ATOM 797 O PHE A 901 -20.134 -10.431 -6.346 1.00 0.00 O ATOM 798 CB PHE A 901 -22.130 -10.098 -8.329 1.00 0.00 C ATOM 799 CG PHE A 901 -23.217 -10.031 -9.392 1.00 0.00 C ATOM 800 CD1 PHE A 901 -24.244 -9.073 -9.287 1.00 0.00 C ATOM 801 CD2 PHE A 901 -23.153 -10.848 -10.533 1.00 0.00 C ATOM 802 CE1 PHE A 901 -25.206 -8.947 -10.305 1.00 0.00 C ATOM 803 CE2 PHE A 901 -24.111 -10.725 -11.554 1.00 0.00 C ATOM 804 CZ PHE A 901 -25.141 -9.775 -11.439 1.00 0.00 C ATOM 0 H PHE A 901 -23.824 -10.050 -5.983 1.00 0.00 H new ATOM 0 HA PHE A 901 -22.251 -12.060 -7.403 1.00 0.00 H new ATOM 0 HB2 PHE A 901 -21.964 -9.086 -7.958 1.00 0.00 H new ATOM 0 HB3 PHE A 901 -21.207 -10.414 -8.816 1.00 0.00 H new ATOM 0 HD1 PHE A 901 -24.293 -8.431 -8.420 1.00 0.00 H new ATOM 0 HD2 PHE A 901 -22.361 -11.577 -10.626 1.00 0.00 H new ATOM 0 HE1 PHE A 901 -25.994 -8.214 -10.216 1.00 0.00 H new ATOM 0 HE2 PHE A 901 -24.056 -11.360 -12.426 1.00 0.00 H new ATOM 0 HZ PHE A 901 -25.881 -9.682 -12.220 1.00 0.00 H new ATOM 814 N ALA A 902 -21.626 -10.858 -4.747 1.00 0.00 N ATOM 815 CA ALA A 902 -20.788 -10.498 -3.600 1.00 0.00 C ATOM 816 C ALA A 902 -19.931 -11.657 -3.053 1.00 0.00 C ATOM 817 O ALA A 902 -19.770 -11.831 -1.844 1.00 0.00 O ATOM 818 CB ALA A 902 -21.663 -9.805 -2.540 1.00 0.00 C ATOM 0 H ALA A 902 -22.544 -11.202 -4.465 1.00 0.00 H new ATOM 0 HA ALA A 902 -20.031 -9.790 -3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -21.048 -9.533 -1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -22.108 -8.906 -2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -22.453 -10.484 -2.220 1.00 0.00 H new ATOM 824 N ASP A 903 -19.362 -12.449 -3.961 1.00 0.00 N ATOM 825 CA ASP A 903 -18.399 -13.517 -3.683 1.00 0.00 C ATOM 826 C ASP A 903 -17.396 -13.652 -4.834 1.00 0.00 C ATOM 827 O ASP A 903 -17.761 -13.526 -6.005 1.00 0.00 O ATOM 828 CB ASP A 903 -19.105 -14.863 -3.467 1.00 0.00 C ATOM 829 CG ASP A 903 -20.076 -14.915 -2.273 1.00 0.00 C ATOM 830 OD1 ASP A 903 -21.309 -14.815 -2.481 1.00 0.00 O ATOM 831 OD2 ASP A 903 -19.609 -15.152 -1.132 1.00 0.00 O1- ATOM 0 H ASP A 903 -19.568 -12.361 -4.956 1.00 0.00 H new ATOM 0 HA ASP A 903 -17.870 -13.248 -2.769 1.00 0.00 H new ATOM 0 HB2 ASP A 903 -19.656 -15.114 -4.373 1.00 0.00 H new ATOM 0 HB3 ASP A 903 -18.347 -15.634 -3.331 1.00 0.00 H new ATOM 836 N CYS A 904 -16.150 -14.016 -4.526 1.00 0.00 N ATOM 837 CA CYS A 904 -15.153 -14.386 -5.526 1.00 0.00 C ATOM 838 C CYS A 904 -15.649 -15.560 -6.425 1.00 0.00 C ATOM 839 O CYS A 904 -15.252 -15.659 -7.588 1.00 0.00 O ATOM 840 CB CYS A 904 -13.831 -14.663 -4.785 1.00 0.00 C ATOM 841 SG CYS A 904 -13.215 -13.166 -3.927 1.00 0.00 S ATOM 0 H CYS A 904 -15.804 -14.062 -3.568 1.00 0.00 H new ATOM 0 HA CYS A 904 -14.982 -13.573 -6.232 1.00 0.00 H new ATOM 0 HB2 CYS A 904 -13.980 -15.464 -4.060 1.00 0.00 H new ATOM 0 HB3 CYS A 904 -13.081 -15.011 -5.495 1.00 0.00 H new ATOM 846 N SER A 905 -16.559 -16.397 -5.904 1.00 0.00 N ATOM 847 CA SER A 905 -17.150 -17.561 -6.587 1.00 0.00 C ATOM 848 C SER A 905 -18.340 -17.214 -7.493 1.00 0.00 C ATOM 849 O SER A 905 -18.704 -18.010 -8.362 1.00 0.00 O ATOM 850 CB SER A 905 -17.630 -18.583 -5.549 1.00 0.00 C ATOM 851 OG SER A 905 -16.583 -18.961 -4.665 1.00 0.00 O ATOM 0 H SER A 905 -16.919 -16.278 -4.957 1.00 0.00 H new ATOM 0 HA SER A 905 -16.359 -17.963 -7.220 1.00 0.00 H new ATOM 0 HB2 SER A 905 -18.456 -18.161 -4.977 1.00 0.00 H new ATOM 0 HB3 SER A 905 -18.014 -19.467 -6.058 1.00 0.00 H new ATOM 0 HG SER A 905 -16.922 -19.611 -4.015 1.00 0.00 H new ATOM 857 N LYS A 906 -18.970 -16.046 -7.290 1.00 0.00 N ATOM 858 CA LYS A 906 -20.108 -15.563 -8.094 1.00 0.00 C ATOM 859 C LYS A 906 -19.704 -15.099 -9.502 1.00 0.00 C ATOM 860 O LYS A 906 -18.521 -15.038 -9.844 1.00 0.00 O ATOM 861 CB LYS A 906 -20.807 -14.425 -7.333 1.00 0.00 C ATOM 862 CG LYS A 906 -21.847 -14.842 -6.282 1.00 0.00 C ATOM 863 CD LYS A 906 -23.114 -15.522 -6.833 1.00 0.00 C ATOM 864 CE LYS A 906 -23.044 -17.055 -6.758 1.00 0.00 C ATOM 865 NZ LYS A 906 -24.306 -17.684 -7.227 1.00 0.00 N1+ ATOM 0 H LYS A 906 -18.699 -15.398 -6.550 1.00 0.00 H new ATOM 0 HA LYS A 906 -20.789 -16.402 -8.239 1.00 0.00 H new ATOM 0 HB2 LYS A 906 -20.043 -13.826 -6.838 1.00 0.00 H new ATOM 0 HB3 LYS A 906 -21.297 -13.778 -8.061 1.00 0.00 H new ATOM 0 HG2 LYS A 906 -21.370 -15.521 -5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 906 -22.146 -13.956 -5.722 1.00 0.00 H new ATOM 0 HD2 LYS A 906 -23.981 -15.174 -6.272 1.00 0.00 H new ATOM 0 HD3 LYS A 906 -23.262 -15.219 -7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 906 -22.212 -17.412 -7.365 1.00 0.00 H new ATOM 0 HE3 LYS A 906 -22.844 -17.361 -5.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 906 -24.223 -18.719 -7.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 906 -25.096 -17.362 -6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 906 -24.483 -17.412 -8.215 1.00 0.00 H new ATOM 879 N SER A 907 -20.705 -14.724 -10.299 1.00 0.00 N ATOM 880 CA SER A 907 -20.537 -14.167 -11.648 1.00 0.00 C ATOM 881 C SER A 907 -20.182 -12.663 -11.614 1.00 0.00 C ATOM 882 O SER A 907 -19.771 -12.136 -10.576 1.00 0.00 O ATOM 883 CB SER A 907 -21.804 -14.486 -12.460 1.00 0.00 C ATOM 884 OG SER A 907 -21.615 -14.233 -13.842 1.00 0.00 O ATOM 0 H SER A 907 -21.683 -14.800 -10.019 1.00 0.00 H new ATOM 0 HA SER A 907 -19.685 -14.632 -12.144 1.00 0.00 H new ATOM 0 HB2 SER A 907 -22.076 -15.531 -12.315 1.00 0.00 H new ATOM 0 HB3 SER A 907 -22.635 -13.886 -12.090 1.00 0.00 H new ATOM 0 HG SER A 907 -22.438 -14.447 -14.329 1.00 0.00 H new ATOM 890 N GLN A 908 -20.357 -11.954 -12.731 1.00 0.00 N ATOM 891 CA GLN A 908 -20.215 -10.498 -12.872 1.00 0.00 C ATOM 892 C GLN A 908 -21.140 -9.950 -13.983 1.00 0.00 C ATOM 893 O GLN A 908 -21.625 -10.702 -14.828 1.00 0.00 O ATOM 894 CB GLN A 908 -18.735 -10.150 -13.122 1.00 0.00 C ATOM 895 CG GLN A 908 -18.246 -10.565 -14.517 1.00 0.00 C ATOM 896 CD GLN A 908 -16.736 -10.795 -14.588 1.00 0.00 C ATOM 897 OE1 GLN A 908 -16.225 -11.820 -14.160 1.00 0.00 O ATOM 898 NE2 GLN A 908 -15.974 -9.889 -15.165 1.00 0.00 N ATOM 0 H GLN A 908 -20.616 -12.401 -13.610 1.00 0.00 H new ATOM 0 HA GLN A 908 -20.528 -10.014 -11.947 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -18.595 -9.076 -12.999 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -18.120 -10.640 -12.367 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -18.760 -11.478 -14.817 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -18.523 -9.793 -15.235 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -16.388 -9.030 -15.526 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -14.970 -10.047 -15.251 1.00 0.00 H new ATOM 907 N GLU A 909 -21.371 -8.631 -14.006 1.00 0.00 N ATOM 908 CA GLU A 909 -22.245 -7.965 -14.998 1.00 0.00 C ATOM 909 C GLU A 909 -21.737 -8.088 -16.458 1.00 0.00 C ATOM 910 O GLU A 909 -22.549 -8.171 -17.382 1.00 0.00 O ATOM 911 CB GLU A 909 -22.465 -6.500 -14.556 1.00 0.00 C ATOM 912 CG GLU A 909 -23.186 -5.608 -15.588 1.00 0.00 C ATOM 913 CD GLU A 909 -23.572 -4.216 -15.036 1.00 0.00 C ATOM 914 OE1 GLU A 909 -24.257 -4.146 -13.987 1.00 0.00 O ATOM 915 OE2 GLU A 909 -23.230 -3.186 -15.672 1.00 0.00 O1- ATOM 0 H GLU A 909 -20.956 -7.985 -13.334 1.00 0.00 H new ATOM 0 HA GLU A 909 -23.204 -8.482 -15.016 1.00 0.00 H new ATOM 0 HB2 GLU A 909 -23.042 -6.498 -13.631 1.00 0.00 H new ATOM 0 HB3 GLU A 909 -21.496 -6.056 -14.328 1.00 0.00 H new ATOM 0 HG2 GLU A 909 -22.542 -5.479 -16.458 1.00 0.00 H new ATOM 0 HG3 GLU A 909 -24.087 -6.117 -15.930 1.00 0.00 H new ATOM 922 N MET A 910 -20.415 -8.153 -16.672 1.00 0.00 N ATOM 923 CA MET A 910 -19.761 -8.356 -17.982 1.00 0.00 C ATOM 924 C MET A 910 -18.381 -8.995 -17.796 1.00 0.00 C ATOM 925 O MET A 910 -17.587 -8.504 -16.990 1.00 0.00 O ATOM 926 CB MET A 910 -19.528 -7.032 -18.727 1.00 0.00 C ATOM 927 CG MET A 910 -20.766 -6.239 -19.142 1.00 0.00 C ATOM 928 SD MET A 910 -20.352 -4.705 -20.021 1.00 0.00 S ATOM 929 CE MET A 910 -21.997 -3.946 -20.096 1.00 0.00 C ATOM 0 H MET A 910 -19.742 -8.063 -15.911 1.00 0.00 H new ATOM 0 HA MET A 910 -20.431 -8.995 -18.557 1.00 0.00 H new ATOM 0 HB2 MET A 910 -18.913 -6.392 -18.095 1.00 0.00 H new ATOM 0 HB3 MET A 910 -18.947 -7.246 -19.624 1.00 0.00 H new ATOM 0 HG2 MET A 910 -21.394 -6.861 -19.780 1.00 0.00 H new ATOM 0 HG3 MET A 910 -21.352 -5.998 -18.255 1.00 0.00 H new ATOM 0 HE1 MET A 910 -21.932 -2.986 -20.608 1.00 0.00 H new ATOM 0 HE2 MET A 910 -22.676 -4.602 -20.640 1.00 0.00 H new ATOM 0 HE3 MET A 910 -22.373 -3.793 -19.085 1.00 0.00 H new ATOM 939 N SER A 911 -18.067 -10.051 -18.552 1.00 0.00 N ATOM 940 CA SER A 911 -16.767 -10.753 -18.487 1.00 0.00 C ATOM 941 C SER A 911 -15.617 -9.823 -18.875 1.00 0.00 C ATOM 942 O SER A 911 -15.834 -8.830 -19.566 1.00 0.00 O ATOM 943 CB SER A 911 -16.726 -11.975 -19.411 1.00 0.00 C ATOM 944 OG SER A 911 -17.958 -12.684 -19.418 1.00 0.00 O ATOM 0 H SER A 911 -18.709 -10.452 -19.235 1.00 0.00 H new ATOM 0 HA SER A 911 -16.652 -11.081 -17.454 1.00 0.00 H new ATOM 0 HB2 SER A 911 -16.488 -11.654 -20.425 1.00 0.00 H new ATOM 0 HB3 SER A 911 -15.926 -12.643 -19.092 1.00 0.00 H new ATOM 0 HG SER A 911 -17.889 -13.454 -20.021 1.00 0.00 H new ATOM 950 N ASN A 912 -14.380 -10.131 -18.483 1.00 0.00 N ATOM 951 CA ASN A 912 -13.255 -9.186 -18.625 1.00 0.00 C ATOM 952 C ASN A 912 -12.943 -8.866 -20.100 1.00 0.00 C ATOM 953 O ASN A 912 -12.559 -7.739 -20.404 1.00 0.00 O ATOM 954 CB ASN A 912 -11.995 -9.670 -17.868 1.00 0.00 C ATOM 955 CG ASN A 912 -12.165 -9.998 -16.389 1.00 0.00 C ATOM 956 OD1 ASN A 912 -13.243 -10.264 -15.877 1.00 0.00 O ATOM 957 ND2 ASN A 912 -11.101 -9.956 -15.629 1.00 0.00 N ATOM 0 H ASN A 912 -14.125 -11.025 -18.064 1.00 0.00 H new ATOM 0 HA ASN A 912 -13.574 -8.253 -18.160 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -11.617 -10.559 -18.372 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -11.228 -8.901 -17.959 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -11.180 -10.143 -14.629 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -10.192 -9.736 -16.036 1.00 0.00 H new ATOM 964 N GLU A 913 -13.207 -9.811 -21.009 1.00 0.00 N ATOM 965 CA GLU A 913 -13.112 -9.640 -22.471 1.00 0.00 C ATOM 966 C GLU A 913 -14.265 -8.819 -23.094 1.00 0.00 C ATOM 967 O GLU A 913 -14.238 -8.500 -24.285 1.00 0.00 O ATOM 968 CB GLU A 913 -13.008 -11.026 -23.139 1.00 0.00 C ATOM 969 CG GLU A 913 -14.289 -11.871 -23.016 1.00 0.00 C ATOM 970 CD GLU A 913 -14.117 -13.295 -23.592 1.00 0.00 C ATOM 971 OE1 GLU A 913 -14.514 -14.275 -22.914 1.00 0.00 O ATOM 972 OE2 GLU A 913 -13.614 -13.457 -24.732 1.00 0.00 O1- ATOM 0 H GLU A 913 -13.503 -10.750 -20.742 1.00 0.00 H new ATOM 0 HA GLU A 913 -12.212 -9.054 -22.659 1.00 0.00 H new ATOM 0 HB2 GLU A 913 -12.771 -10.894 -24.195 1.00 0.00 H new ATOM 0 HB3 GLU A 913 -12.178 -11.573 -22.692 1.00 0.00 H new ATOM 0 HG2 GLU A 913 -14.576 -11.939 -21.967 1.00 0.00 H new ATOM 0 HG3 GLU A 913 -15.104 -11.368 -23.537 1.00 0.00 H new ATOM 979 N GLU A 914 -15.291 -8.480 -22.307 1.00 0.00 N ATOM 980 CA GLU A 914 -16.372 -7.551 -22.657 1.00 0.00 C ATOM 981 C GLU A 914 -16.196 -6.203 -21.937 1.00 0.00 C ATOM 982 O GLU A 914 -16.306 -5.154 -22.570 1.00 0.00 O ATOM 983 CB GLU A 914 -17.739 -8.171 -22.315 1.00 0.00 C ATOM 984 CG GLU A 914 -18.052 -9.498 -23.028 1.00 0.00 C ATOM 985 CD GLU A 914 -18.057 -9.416 -24.573 1.00 0.00 C ATOM 986 OE1 GLU A 914 -17.731 -10.434 -25.232 1.00 0.00 O ATOM 987 OE2 GLU A 914 -18.445 -8.370 -25.148 1.00 0.00 O1- ATOM 0 H GLU A 914 -15.396 -8.862 -21.367 1.00 0.00 H new ATOM 0 HA GLU A 914 -16.329 -7.367 -23.730 1.00 0.00 H new ATOM 0 HB2 GLU A 914 -17.787 -8.335 -21.238 1.00 0.00 H new ATOM 0 HB3 GLU A 914 -18.519 -7.451 -22.563 1.00 0.00 H new ATOM 0 HG2 GLU A 914 -17.318 -10.242 -22.720 1.00 0.00 H new ATOM 0 HG3 GLU A 914 -19.027 -9.854 -22.693 1.00 0.00 H new ATOM 994 N ILE A 915 -15.852 -6.198 -20.639 1.00 0.00 N ATOM 995 CA ILE A 915 -15.628 -4.964 -19.864 1.00 0.00 C ATOM 996 C ILE A 915 -14.259 -4.284 -20.070 1.00 0.00 C ATOM 997 O ILE A 915 -13.869 -3.327 -19.404 1.00 0.00 O ATOM 998 CB ILE A 915 -16.007 -5.132 -18.389 1.00 0.00 C ATOM 999 CG1 ILE A 915 -16.063 -3.793 -17.632 1.00 0.00 C ATOM 1000 CG2 ILE A 915 -15.118 -6.101 -17.599 1.00 0.00 C ATOM 1001 CD1 ILE A 915 -16.640 -2.637 -18.464 1.00 0.00 C ATOM 0 H ILE A 915 -15.721 -7.051 -20.095 1.00 0.00 H new ATOM 0 HA ILE A 915 -16.323 -4.244 -20.296 1.00 0.00 H new ATOM 0 HB ILE A 915 -17.003 -5.571 -18.445 1.00 0.00 H new ATOM 0 HG12 ILE A 915 -16.667 -3.919 -16.733 1.00 0.00 H new ATOM 0 HG13 ILE A 915 -15.057 -3.528 -17.306 1.00 0.00 H new ATOM 0 HG21 ILE A 915 -15.464 -6.153 -16.567 1.00 0.00 H new ATOM 0 HG22 ILE A 915 -15.170 -7.092 -18.050 1.00 0.00 H new ATOM 0 HG23 ILE A 915 -14.087 -5.747 -17.618 1.00 0.00 H new ATOM 0 HD11 ILE A 915 -16.648 -1.726 -17.865 1.00 0.00 H new ATOM 0 HD12 ILE A 915 -16.024 -2.483 -19.350 1.00 0.00 H new ATOM 0 HD13 ILE A 915 -17.658 -2.880 -18.768 1.00 0.00 H new ATOM 1013 N ASN A 916 -13.500 -4.775 -21.019 1.00 0.00 N ATOM 1014 CA ASN A 916 -12.451 -3.983 -21.681 1.00 0.00 C ATOM 1015 C ASN A 916 -12.911 -3.382 -23.030 1.00 0.00 C ATOM 1016 O ASN A 916 -12.645 -2.213 -23.316 1.00 0.00 O ATOM 1017 CB ASN A 916 -11.127 -4.779 -21.732 1.00 0.00 C ATOM 1018 CG ASN A 916 -11.151 -6.088 -22.518 1.00 0.00 C ATOM 1019 OD1 ASN A 916 -12.104 -6.434 -23.198 1.00 0.00 O ATOM 1020 ND2 ASN A 916 -10.089 -6.857 -22.455 1.00 0.00 N ATOM 0 H ASN A 916 -13.579 -5.731 -21.365 1.00 0.00 H new ATOM 0 HA ASN A 916 -12.247 -3.100 -21.076 1.00 0.00 H new ATOM 0 HB2 ASN A 916 -10.359 -4.137 -22.162 1.00 0.00 H new ATOM 0 HB3 ASN A 916 -10.822 -5.000 -20.709 1.00 0.00 H new ATOM 0 HD21 ASN A 916 -10.064 -7.736 -22.972 1.00 0.00 H new ATOM 0 HD22 ASN A 916 -9.288 -6.575 -21.889 1.00 0.00 H new ATOM 1027 N GLU A 917 -13.688 -4.125 -23.815 1.00 0.00 N ATOM 1028 CA GLU A 917 -14.274 -3.684 -25.089 1.00 0.00 C ATOM 1029 C GLU A 917 -15.313 -2.559 -24.940 1.00 0.00 C ATOM 1030 O GLU A 917 -15.397 -1.687 -25.806 1.00 0.00 O ATOM 1031 CB GLU A 917 -14.923 -4.886 -25.782 1.00 0.00 C ATOM 1032 CG GLU A 917 -13.934 -5.744 -26.589 1.00 0.00 C ATOM 1033 CD GLU A 917 -13.298 -5.001 -27.788 1.00 0.00 C ATOM 1034 OE1 GLU A 917 -14.016 -4.302 -28.544 1.00 0.00 O ATOM 1035 OE2 GLU A 917 -12.068 -5.133 -28.004 1.00 0.00 O1- ATOM 0 H GLU A 917 -13.939 -5.085 -23.578 1.00 0.00 H new ATOM 0 HA GLU A 917 -13.459 -3.272 -25.684 1.00 0.00 H new ATOM 0 HB2 GLU A 917 -15.403 -5.512 -25.030 1.00 0.00 H new ATOM 0 HB3 GLU A 917 -15.708 -4.529 -26.448 1.00 0.00 H new ATOM 0 HG2 GLU A 917 -13.141 -6.089 -25.925 1.00 0.00 H new ATOM 0 HG3 GLU A 917 -14.451 -6.631 -26.956 1.00 0.00 H new ATOM 1042 N GLU A 918 -16.088 -2.547 -23.851 1.00 0.00 N ATOM 1043 CA GLU A 918 -17.166 -1.563 -23.636 1.00 0.00 C ATOM 1044 C GLU A 918 -16.642 -0.119 -23.535 1.00 0.00 C ATOM 1045 O GLU A 918 -17.313 0.817 -23.976 1.00 0.00 O ATOM 1046 CB GLU A 918 -17.974 -1.916 -22.370 1.00 0.00 C ATOM 1047 CG GLU A 918 -19.383 -1.287 -22.340 1.00 0.00 C ATOM 1048 CD GLU A 918 -20.268 -1.688 -23.543 1.00 0.00 C ATOM 1049 OE1 GLU A 918 -20.264 -2.867 -23.969 1.00 0.00 O ATOM 1050 OE2 GLU A 918 -21.010 -0.822 -24.063 1.00 0.00 O1- ATOM 0 H GLU A 918 -15.989 -3.218 -23.090 1.00 0.00 H new ATOM 0 HA GLU A 918 -17.813 -1.613 -24.512 1.00 0.00 H new ATOM 0 HB2 GLU A 918 -18.068 -3.000 -22.299 1.00 0.00 H new ATOM 0 HB3 GLU A 918 -17.419 -1.586 -21.492 1.00 0.00 H new ATOM 0 HG2 GLU A 918 -19.883 -1.582 -21.418 1.00 0.00 H new ATOM 0 HG3 GLU A 918 -19.286 -0.202 -22.317 1.00 0.00 H new ATOM 1057 N LEU A 919 -15.433 0.059 -22.983 1.00 0.00 N ATOM 1058 CA LEU A 919 -14.733 1.351 -22.933 1.00 0.00 C ATOM 1059 C LEU A 919 -13.757 1.533 -24.112 1.00 0.00 C ATOM 1060 O LEU A 919 -13.486 2.664 -24.523 1.00 0.00 O ATOM 1061 CB LEU A 919 -13.991 1.525 -21.594 1.00 0.00 C ATOM 1062 CG LEU A 919 -14.833 1.186 -20.346 1.00 0.00 C ATOM 1063 CD1 LEU A 919 -14.427 -0.181 -19.822 1.00 0.00 C ATOM 1064 CD2 LEU A 919 -14.652 2.221 -19.255 1.00 0.00 C ATOM 0 H LEU A 919 -14.906 -0.701 -22.553 1.00 0.00 H new ATOM 0 HA LEU A 919 -15.496 2.125 -23.017 1.00 0.00 H new ATOM 0 HB2 LEU A 919 -13.103 0.892 -21.600 1.00 0.00 H new ATOM 0 HB3 LEU A 919 -13.647 2.556 -21.515 1.00 0.00 H new ATOM 0 HG LEU A 919 -15.884 1.182 -20.635 1.00 0.00 H new ATOM 0 HD11 LEU A 919 -15.020 -0.423 -18.940 1.00 0.00 H new ATOM 0 HD12 LEU A 919 -14.599 -0.932 -20.593 1.00 0.00 H new ATOM 0 HD13 LEU A 919 -13.370 -0.170 -19.556 1.00 0.00 H new ATOM 0 HD21 LEU A 919 -15.260 1.950 -18.392 1.00 0.00 H new ATOM 0 HD22 LEU A 919 -13.603 2.261 -18.962 1.00 0.00 H new ATOM 0 HD23 LEU A 919 -14.963 3.198 -19.625 1.00 0.00 H new ATOM 1076 N GLY A 920 -13.233 0.426 -24.652 1.00 0.00 N ATOM 1077 CA GLY A 920 -12.275 0.401 -25.767 1.00 0.00 C ATOM 1078 C GLY A 920 -10.813 0.377 -25.304 1.00 0.00 C ATOM 1079 O GLY A 920 -9.942 0.960 -25.954 1.00 0.00 O ATOM 0 H GLY A 920 -13.471 -0.507 -24.315 1.00 0.00 H new ATOM 0 HA2 GLY A 920 -12.469 -0.476 -26.385 1.00 0.00 H new ATOM 0 HA3 GLY A 920 -12.436 1.276 -26.396 1.00 0.00 H new ATOM 1083 N ILE A 921 -10.556 -0.251 -24.153 1.00 0.00 N ATOM 1084 CA ILE A 921 -9.257 -0.316 -23.466 1.00 0.00 C ATOM 1085 C ILE A 921 -8.590 -1.696 -23.619 1.00 0.00 C ATOM 1086 O ILE A 921 -9.217 -2.678 -24.020 1.00 0.00 O ATOM 1087 CB ILE A 921 -9.414 0.110 -21.987 1.00 0.00 C ATOM 1088 CG1 ILE A 921 -10.358 -0.836 -21.214 1.00 0.00 C ATOM 1089 CG2 ILE A 921 -9.860 1.581 -21.897 1.00 0.00 C ATOM 1090 CD1 ILE A 921 -10.371 -0.597 -19.700 1.00 0.00 C ATOM 0 H ILE A 921 -11.284 -0.755 -23.647 1.00 0.00 H new ATOM 0 HA ILE A 921 -8.580 0.392 -23.944 1.00 0.00 H new ATOM 0 HB ILE A 921 -8.440 0.028 -21.504 1.00 0.00 H new ATOM 0 HG12 ILE A 921 -11.371 -0.718 -21.600 1.00 0.00 H new ATOM 0 HG13 ILE A 921 -10.062 -1.867 -21.407 1.00 0.00 H new ATOM 0 HG21 ILE A 921 -9.966 1.866 -20.850 1.00 0.00 H new ATOM 0 HG22 ILE A 921 -9.113 2.217 -22.372 1.00 0.00 H new ATOM 0 HG23 ILE A 921 -10.817 1.703 -22.405 1.00 0.00 H new ATOM 0 HD11 ILE A 921 -11.057 -1.299 -19.227 1.00 0.00 H new ATOM 0 HD12 ILE A 921 -9.368 -0.744 -19.300 1.00 0.00 H new ATOM 0 HD13 ILE A 921 -10.697 0.423 -19.495 1.00 0.00 H new ATOM 1102 N GLY A 922 -7.302 -1.766 -23.276 1.00 0.00 N ATOM 1103 CA GLY A 922 -6.427 -2.936 -23.467 1.00 0.00 C ATOM 1104 C GLY A 922 -6.212 -3.800 -22.220 1.00 0.00 C ATOM 1105 O GLY A 922 -5.151 -4.408 -22.062 1.00 0.00 O ATOM 0 H GLY A 922 -6.817 -0.982 -22.840 1.00 0.00 H new ATOM 0 HA2 GLY A 922 -6.849 -3.561 -24.254 1.00 0.00 H new ATOM 0 HA3 GLY A 922 -5.456 -2.590 -23.821 1.00 0.00 H new ATOM 1109 N GLN A 923 -7.181 -3.805 -21.302 1.00 0.00 N ATOM 1110 CA GLN A 923 -7.057 -4.450 -19.988 1.00 0.00 C ATOM 1111 C GLN A 923 -6.942 -5.981 -20.068 1.00 0.00 C ATOM 1112 O GLN A 923 -7.332 -6.604 -21.056 1.00 0.00 O ATOM 1113 CB GLN A 923 -8.236 -4.068 -19.082 1.00 0.00 C ATOM 1114 CG GLN A 923 -7.866 -3.972 -17.592 1.00 0.00 C ATOM 1115 CD GLN A 923 -7.811 -2.517 -17.141 1.00 0.00 C ATOM 1116 OE1 GLN A 923 -6.903 -1.768 -17.466 1.00 0.00 O ATOM 1117 NE2 GLN A 923 -8.803 -2.053 -16.412 1.00 0.00 N ATOM 0 H GLN A 923 -8.085 -3.357 -21.449 1.00 0.00 H new ATOM 0 HA GLN A 923 -6.125 -4.081 -19.561 1.00 0.00 H new ATOM 0 HB2 GLN A 923 -8.639 -3.110 -19.410 1.00 0.00 H new ATOM 0 HB3 GLN A 923 -9.030 -4.805 -19.203 1.00 0.00 H new ATOM 0 HG2 GLN A 923 -8.599 -4.515 -16.995 1.00 0.00 H new ATOM 0 HG3 GLN A 923 -6.900 -4.447 -17.421 1.00 0.00 H new ATOM 0 HE21 GLN A 923 -9.566 -2.671 -16.136 1.00 0.00 H new ATOM 0 HE22 GLN A 923 -8.809 -1.075 -16.123 1.00 0.00 H new ATOM 1126 N ASP A 924 -6.421 -6.565 -18.986 1.00 0.00 N ATOM 1127 CA ASP A 924 -6.134 -7.995 -18.763 1.00 0.00 C ATOM 1128 C ASP A 924 -5.007 -8.592 -19.631 1.00 0.00 C ATOM 1129 O ASP A 924 -4.536 -9.696 -19.361 1.00 0.00 O ATOM 1130 CB ASP A 924 -7.420 -8.835 -18.784 1.00 0.00 C ATOM 1131 CG ASP A 924 -8.345 -8.575 -17.577 1.00 0.00 C ATOM 1132 OD1 ASP A 924 -8.938 -7.476 -17.451 1.00 0.00 O ATOM 1133 OD2 ASP A 924 -8.499 -9.497 -16.743 1.00 0.00 O1- ATOM 0 H ASP A 924 -6.165 -6.007 -18.171 1.00 0.00 H new ATOM 0 HA ASP A 924 -5.718 -8.044 -17.757 1.00 0.00 H new ATOM 0 HB2 ASP A 924 -7.967 -8.624 -19.703 1.00 0.00 H new ATOM 0 HB3 ASP A 924 -7.154 -9.892 -18.807 1.00 0.00 H new ATOM 1138 N GLU A 925 -4.533 -7.811 -20.601 1.00 0.00 N ATOM 1139 CA GLU A 925 -3.335 -7.915 -21.453 1.00 0.00 C ATOM 1140 C GLU A 925 -3.207 -9.208 -22.275 1.00 0.00 C ATOM 1141 O GLU A 925 -3.241 -9.185 -23.509 1.00 0.00 O ATOM 1142 CB GLU A 925 -2.083 -7.619 -20.609 1.00 0.00 C ATOM 1143 CG GLU A 925 -0.862 -7.334 -21.493 1.00 0.00 C ATOM 1144 CD GLU A 925 0.426 -7.062 -20.684 1.00 0.00 C ATOM 1145 OE1 GLU A 925 0.390 -6.322 -19.669 1.00 0.00 O ATOM 1146 OE2 GLU A 925 1.506 -7.571 -21.074 1.00 0.00 O1- ATOM 0 H GLU A 925 -5.052 -6.968 -20.846 1.00 0.00 H new ATOM 0 HA GLU A 925 -3.445 -7.157 -22.229 1.00 0.00 H new ATOM 0 HB2 GLU A 925 -2.273 -6.762 -19.963 1.00 0.00 H new ATOM 0 HB3 GLU A 925 -1.872 -8.468 -19.959 1.00 0.00 H new ATOM 0 HG2 GLU A 925 -0.695 -8.184 -22.155 1.00 0.00 H new ATOM 0 HG3 GLU A 925 -1.074 -6.473 -22.127 1.00 0.00 H new ATOM 1153 N ALA A 926 -3.097 -10.336 -21.580 1.00 0.00 N ATOM 1154 CA ALA A 926 -3.296 -11.676 -22.127 1.00 0.00 C ATOM 1155 C ALA A 926 -4.773 -11.901 -22.481 1.00 0.00 C ATOM 1156 O ALA A 926 -5.086 -12.385 -23.570 1.00 0.00 O ATOM 1157 CB ALA A 926 -2.806 -12.697 -21.093 1.00 0.00 C ATOM 0 H ALA A 926 -2.859 -10.344 -20.588 1.00 0.00 H new ATOM 0 HA ALA A 926 -2.726 -11.794 -23.048 1.00 0.00 H new ATOM 0 HB1 ALA A 926 -2.946 -13.705 -21.483 1.00 0.00 H new ATOM 0 HB2 ALA A 926 -1.748 -12.530 -20.890 1.00 0.00 H new ATOM 0 HB3 ALA A 926 -3.375 -12.582 -20.170 1.00 0.00 H new ATOM 1163 N ASP A 927 -5.669 -11.539 -21.556 1.00 0.00 N ATOM 1164 CA ASP A 927 -7.134 -11.673 -21.651 1.00 0.00 C ATOM 1165 C ASP A 927 -7.637 -13.115 -21.946 1.00 0.00 C ATOM 1166 O ASP A 927 -8.810 -13.329 -22.264 1.00 0.00 O ATOM 1167 CB ASP A 927 -7.672 -10.605 -22.625 1.00 0.00 C ATOM 1168 CG ASP A 927 -9.151 -10.218 -22.427 1.00 0.00 C ATOM 1169 OD1 ASP A 927 -9.718 -9.612 -23.368 1.00 0.00 O ATOM 1170 OD2 ASP A 927 -9.726 -10.440 -21.334 1.00 0.00 O1- ATOM 0 H ASP A 927 -5.380 -11.122 -20.671 1.00 0.00 H new ATOM 0 HA ASP A 927 -7.554 -11.485 -20.663 1.00 0.00 H new ATOM 0 HB2 ASP A 927 -7.062 -9.707 -22.526 1.00 0.00 H new ATOM 0 HB3 ASP A 927 -7.542 -10.968 -23.644 1.00 0.00 H new ATOM 1175 N ALA A 928 -6.741 -14.108 -21.847 1.00 0.00 N ATOM 1176 CA ALA A 928 -7.009 -15.543 -22.022 1.00 0.00 C ATOM 1177 C ALA A 928 -7.854 -16.157 -20.877 1.00 0.00 C ATOM 1178 O ALA A 928 -8.789 -16.935 -21.179 1.00 0.00 O ATOM 1179 CB ALA A 928 -5.664 -16.264 -22.200 1.00 0.00 C ATOM 1180 OXT ALA A 928 -7.564 -15.890 -19.686 1.00 0.00 O ATOM 0 H ALA A 928 -5.761 -13.923 -21.632 1.00 0.00 H new ATOM 0 HA ALA A 928 -7.624 -15.676 -22.912 1.00 0.00 H new ATOM 0 HB1 ALA A 928 -5.838 -17.332 -22.332 1.00 0.00 H new ATOM 0 HB2 ALA A 928 -5.153 -15.869 -23.078 1.00 0.00 H new ATOM 0 HB3 ALA A 928 -5.046 -16.104 -21.317 1.00 0.00 H new TER 1186 ALA A 928 ATOM 1187 N ALA B 1 -5.646 0.970 -6.852 1.00 0.00 N ATOM 1188 CA ALA B 1 -6.118 -0.169 -7.677 1.00 0.00 C ATOM 1189 C ALA B 1 -6.648 0.333 -9.020 1.00 0.00 C ATOM 1190 O ALA B 1 -7.484 1.236 -9.048 1.00 0.00 O ATOM 1191 CB ALA B 1 -7.181 -1.023 -6.954 1.00 0.00 C ATOM 0 H1 ALA B 1 -5.108 0.610 -6.038 1.00 0.00 H new ATOM 0 H2 ALA B 1 -5.035 1.585 -7.427 1.00 0.00 H new ATOM 0 H3 ALA B 1 -6.464 1.515 -6.512 1.00 0.00 H new ATOM 0 HA ALA B 1 -5.260 -0.818 -7.852 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -7.492 -1.842 -7.602 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -6.759 -1.428 -6.034 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -8.045 -0.403 -6.714 1.00 0.00 H new ATOM 1199 N ARG B 2 -6.186 -0.262 -10.128 1.00 0.00 N ATOM 1200 CA ARG B 2 -6.639 0.000 -11.505 1.00 0.00 C ATOM 1201 C ARG B 2 -8.134 -0.279 -11.645 1.00 0.00 C ATOM 1202 O ARG B 2 -8.572 -1.373 -11.298 1.00 0.00 O ATOM 1203 CB ARG B 2 -5.838 -0.935 -12.435 1.00 0.00 C ATOM 1204 CG ARG B 2 -6.257 -0.984 -13.915 1.00 0.00 C ATOM 1205 CD ARG B 2 -5.932 0.283 -14.721 1.00 0.00 C ATOM 1206 NE ARG B 2 -6.903 1.382 -14.524 1.00 0.00 N ATOM 1207 CZ ARG B 2 -6.627 2.676 -14.516 1.00 0.00 C ATOM 1208 NH1 ARG B 2 -5.418 3.139 -14.376 1.00 0.00 N1+ ATOM 1209 NH2 ARG B 2 -7.587 3.539 -14.658 1.00 0.00 N ATOM 0 H ARG B 2 -5.454 -0.971 -10.090 1.00 0.00 H new ATOM 0 HA ARG B 2 -6.474 1.046 -11.765 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -4.790 -0.639 -12.390 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -5.901 -1.946 -12.033 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -5.766 -1.834 -14.389 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -7.330 -1.165 -13.968 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -4.938 0.634 -14.443 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -5.895 0.029 -15.780 1.00 0.00 H new ATOM 0 HE ARG B 2 -7.877 1.117 -14.381 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -4.635 2.495 -14.266 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -5.254 4.146 -14.376 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -8.548 3.218 -14.775 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -7.380 4.538 -14.653 1.00 0.00 H new ATOM 1223 N THR B 3 -8.899 0.641 -12.235 1.00 0.00 N ATOM 1224 CA THR B 3 -10.240 0.322 -12.767 1.00 0.00 C ATOM 1225 C THR B 3 -10.697 1.239 -13.924 1.00 0.00 C ATOM 1226 O THR B 3 -9.863 1.914 -14.530 1.00 0.00 O ATOM 1227 CB THR B 3 -11.260 0.229 -11.606 1.00 0.00 C ATOM 1228 OG1 THR B 3 -12.443 -0.376 -12.077 1.00 0.00 O ATOM 1229 CG2 THR B 3 -11.630 1.578 -10.996 1.00 0.00 C ATOM 0 H THR B 3 -8.620 1.614 -12.360 1.00 0.00 H new ATOM 0 HA THR B 3 -10.179 -0.658 -13.240 1.00 0.00 H new ATOM 0 HB THR B 3 -10.777 -0.359 -10.825 1.00 0.00 H new ATOM 0 HG1 THR B 3 -12.222 -1.213 -12.537 1.00 0.00 H new ATOM 0 HG21 THR B 3 -12.348 1.428 -10.190 1.00 0.00 H new ATOM 0 HG22 THR B 3 -10.734 2.056 -10.600 1.00 0.00 H new ATOM 0 HG23 THR B 3 -12.072 2.215 -11.762 1.00 0.00 H new HETATM 1237 N MLZ B 4 -11.985 1.192 -14.294 1.00 0.00 N HETATM 1238 CA MLZ B 4 -12.608 1.748 -15.498 1.00 0.00 C HETATM 1239 CB MLZ B 4 -12.550 0.631 -16.581 1.00 0.00 C HETATM 1240 CG MLZ B 4 -13.528 -0.556 -16.420 1.00 0.00 C HETATM 1241 CD MLZ B 4 -13.038 -1.702 -15.525 1.00 0.00 C HETATM 1242 CE MLZ B 4 -11.926 -2.538 -16.190 1.00 0.00 C HETATM 1243 NZ MLZ B 4 -12.482 -3.621 -17.048 1.00 0.00 N HETATM 1244 CM MLZ B 4 -11.385 -4.333 -17.748 1.00 0.00 C HETATM 1245 C MLZ B 4 -14.038 2.293 -15.204 1.00 0.00 C HETATM 1246 O MLZ B 4 -14.643 1.916 -14.200 1.00 0.00 O HETATM 0 HCM3 MLZ B 4 -10.835 -3.629 -18.373 1.00 0.00 H new HETATM 0 HCM2 MLZ B 4 -10.709 -4.771 -17.014 1.00 0.00 H new HETATM 0 HCM1 MLZ B 4 -11.804 -5.122 -18.372 1.00 0.00 H new HETATM 0 HZ MLZ B 4 -13.474 -3.841 -17.141 1.00 0.00 H new HETATM 0 HG3 MLZ B 4 -14.466 -0.178 -16.014 1.00 0.00 H new HETATM 0 HG2 MLZ B 4 -13.748 -0.959 -17.409 1.00 0.00 H new HETATM 0 HE3 MLZ B 4 -11.293 -1.886 -16.793 1.00 0.00 H new HETATM 0 HE2 MLZ B 4 -11.291 -2.975 -15.420 1.00 0.00 H new HETATM 0 HD3 MLZ B 4 -12.667 -1.292 -14.586 1.00 0.00 H new HETATM 0 HD2 MLZ B 4 -13.878 -2.351 -15.279 1.00 0.00 H new HETATM 0 HB3 MLZ B 4 -12.733 1.091 -17.552 1.00 0.00 H new HETATM 0 HB2 MLZ B 4 -11.535 0.233 -16.603 1.00 0.00 H new HETATM 0 HA MLZ B 4 -12.074 2.624 -15.867 1.00 0.00 H new ATOM 1262 N GLN B 5 -14.619 3.123 -16.083 1.00 0.00 N ATOM 1263 CA GLN B 5 -16.001 3.635 -15.934 1.00 0.00 C ATOM 1264 C GLN B 5 -16.774 3.777 -17.260 1.00 0.00 C ATOM 1265 O GLN B 5 -16.520 4.671 -18.068 1.00 0.00 O ATOM 1266 CB GLN B 5 -15.999 4.931 -15.108 1.00 0.00 C ATOM 1267 CG GLN B 5 -15.295 6.160 -15.710 1.00 0.00 C ATOM 1268 CD GLN B 5 -14.821 7.092 -14.600 1.00 0.00 C ATOM 1269 OE1 GLN B 5 -15.498 8.023 -14.183 1.00 0.00 O ATOM 1270 NE2 GLN B 5 -13.650 6.852 -14.051 1.00 0.00 N ATOM 0 H GLN B 5 -14.147 3.462 -16.921 1.00 0.00 H new ATOM 0 HA GLN B 5 -16.559 2.874 -15.388 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -17.035 5.203 -14.907 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -15.534 4.715 -14.146 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -14.446 5.842 -16.315 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -15.978 6.691 -16.373 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -13.077 6.079 -14.390 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -13.315 7.439 -13.287 1.00 0.00 H new ATOM 1279 N THR B 6 -17.729 2.868 -17.489 1.00 0.00 N ATOM 1280 CA THR B 6 -18.580 2.813 -18.691 1.00 0.00 C ATOM 1281 C THR B 6 -19.694 3.862 -18.671 1.00 0.00 C ATOM 1282 O THR B 6 -20.508 3.906 -17.748 1.00 0.00 O ATOM 1283 CB THR B 6 -19.228 1.426 -18.845 1.00 0.00 C ATOM 1284 OG1 THR B 6 -19.691 0.949 -17.603 1.00 0.00 O ATOM 1285 CG2 THR B 6 -18.261 0.376 -19.362 1.00 0.00 C ATOM 0 H THR B 6 -17.940 2.125 -16.823 1.00 0.00 H new ATOM 0 HA THR B 6 -17.919 3.019 -19.533 1.00 0.00 H new ATOM 0 HB THR B 6 -20.040 1.569 -19.558 1.00 0.00 H new ATOM 0 HG1 THR B 6 -20.362 0.250 -17.751 1.00 0.00 H new ATOM 0 HG21 THR B 6 -18.776 -0.581 -19.450 1.00 0.00 H new ATOM 0 HG22 THR B 6 -17.886 0.677 -20.340 1.00 0.00 H new ATOM 0 HG23 THR B 6 -17.426 0.277 -18.668 1.00 0.00 H new ATOM 1293 N ALA B 7 -19.812 4.639 -19.750 1.00 0.00 N ATOM 1294 CA ALA B 7 -20.872 5.633 -19.976 1.00 0.00 C ATOM 1295 C ALA B 7 -22.202 5.004 -20.469 1.00 0.00 C ATOM 1296 O ALA B 7 -22.854 5.501 -21.393 1.00 0.00 O ATOM 1297 CB ALA B 7 -20.319 6.700 -20.926 1.00 0.00 C ATOM 0 H ALA B 7 -19.147 4.594 -20.522 1.00 0.00 H new ATOM 0 HA ALA B 7 -21.143 6.098 -19.028 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -21.085 7.453 -21.113 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -19.447 7.173 -20.474 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -20.031 6.234 -21.868 1.00 0.00 H new ATOM 1303 N ARG B 8 -22.575 3.870 -19.867 1.00 0.00 N ATOM 1304 CA ARG B 8 -23.704 2.999 -20.240 1.00 0.00 C ATOM 1305 C ARG B 8 -24.369 2.441 -18.979 1.00 0.00 C ATOM 1306 O ARG B 8 -23.848 1.504 -18.369 1.00 0.00 O ATOM 1307 CB ARG B 8 -23.181 1.894 -21.186 1.00 0.00 C ATOM 1308 CG ARG B 8 -24.318 1.012 -21.725 1.00 0.00 C ATOM 1309 CD ARG B 8 -23.765 -0.008 -22.724 1.00 0.00 C ATOM 1310 NE ARG B 8 -24.829 -0.860 -23.288 1.00 0.00 N ATOM 1311 CZ ARG B 8 -24.679 -1.747 -24.257 1.00 0.00 C ATOM 1312 NH1 ARG B 8 -23.529 -1.977 -24.821 1.00 0.00 N1+ ATOM 1313 NH2 ARG B 8 -25.703 -2.433 -24.683 1.00 0.00 N ATOM 0 H ARG B 8 -22.069 3.511 -19.057 1.00 0.00 H new ATOM 0 HA ARG B 8 -24.472 3.559 -20.773 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -22.651 2.352 -22.021 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -22.461 1.272 -20.654 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -24.810 0.495 -20.901 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -25.073 1.633 -22.208 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -23.253 0.516 -23.531 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -23.023 -0.634 -22.230 1.00 0.00 H new ATOM 0 HE ARG B 8 -25.764 -0.755 -22.895 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -22.701 -1.464 -24.518 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -23.456 -2.670 -25.566 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -26.623 -2.286 -24.269 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -25.584 -3.116 -25.431 1.00 0.00 H new ATOM 1327 N TYR B 9 -25.472 3.054 -18.549 1.00 0.00 N ATOM 1328 CA TYR B 9 -26.185 2.742 -17.295 1.00 0.00 C ATOM 1329 C TYR B 9 -27.702 3.007 -17.407 1.00 0.00 C ATOM 1330 O TYR B 9 -28.096 4.124 -17.820 1.00 0.00 O ATOM 1331 CB TYR B 9 -25.541 3.533 -16.141 1.00 0.00 C ATOM 1332 CG TYR B 9 -25.959 3.089 -14.751 1.00 0.00 C ATOM 1333 CD1 TYR B 9 -25.540 1.835 -14.262 1.00 0.00 C ATOM 1334 CD2 TYR B 9 -26.733 3.935 -13.933 1.00 0.00 C ATOM 1335 CE1 TYR B 9 -25.891 1.424 -12.960 1.00 0.00 C ATOM 1336 CE2 TYR B 9 -27.090 3.529 -12.631 1.00 0.00 C ATOM 1337 CZ TYR B 9 -26.669 2.274 -12.141 1.00 0.00 C ATOM 1338 OH TYR B 9 -27.023 1.885 -10.885 1.00 0.00 O ATOM 1339 OXT TYR B 9 -28.495 2.080 -17.125 1.00 0.00 O ATOM 0 H TYR B 9 -25.914 3.807 -19.076 1.00 0.00 H new ATOM 0 HA TYR B 9 -26.088 1.676 -17.089 1.00 0.00 H new ATOM 0 HB2 TYR B 9 -24.457 3.449 -16.223 1.00 0.00 H new ATOM 0 HB3 TYR B 9 -25.789 4.588 -16.260 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -24.947 1.185 -14.888 1.00 0.00 H new ATOM 0 HD2 TYR B 9 -27.054 4.897 -14.304 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -25.567 0.463 -12.589 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -27.686 4.179 -12.008 1.00 0.00 H new ATOM 0 HH TYR B 9 -27.556 2.591 -10.462 1.00 0.00 H new TER 1349 TYR B 9 HETATM 1350 ZN ZN A1001 -13.087 -11.410 -5.699 1.00 0.00 ZN