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 855 SER OG : rot 132:sc= 0.703 USER MOD Set 1.2: B 1 ALA N :NH3+ -167:sc= 1.07 (180deg=-0.0681) USER MOD Set 2.1: A 908 GLN : amide:sc= 1.07 K(o=2.2,f=0.2) USER MOD Set 2.2: A 912 ASN : amide:sc= 1.14 K(o=2.2,f=-1.3) USER MOD Single : A 851 SER OG : rot 180:sc= 0.171 USER MOD Single : A 858 SER OG : rot 180:sc= 0 USER MOD Single : A 861 THR OG1 : rot 180:sc= 0.357 USER MOD Single : A 863 SER OG : rot 180:sc= -0.0125 USER MOD Single : A 873 LYS NZ :NH3+ 162:sc= 2.26 (180deg=1.75) 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= -0.0059 USER MOD Single : A 894 MET CE :methyl 175:sc= 0 (180deg=-0.039) USER MOD Single : A 895 ASN : amide:sc= 1.95 K(o=2,f=0) USER MOD Single : A 896 ASN : amide:sc= 0.341 K(o=0.34,f=-3.1!) 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 USER MOD Single : A 910 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 911 SER OG : rot 180:sc= 0 USER MOD Single : A 916 ASN : amide:sc= 0.167 K(o=0.17,f=-4.2!) USER MOD Single : A 923 GLN : amide:sc= 0.505 K(o=0.5,f=-5.7!) USER MOD Single : B 3 THR OG1 : rot -146:sc= -0.0926 USER MOD Single : B 5 GLN : amide:sc= 0.681 K(o=0.68,f=-6.1!) USER MOD Single : B 6 THR OG1 : rot 90:sc= 0.497 USER MOD Single : B 9 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 850 -1.596 -9.538 -11.484 1.00 0.00 N ATOM 2 CA GLY A 850 -0.194 -9.143 -11.233 1.00 0.00 C ATOM 3 C GLY A 850 -0.100 -8.256 -10.006 1.00 0.00 C ATOM 4 O GLY A 850 -0.245 -7.037 -10.121 1.00 0.00 O ATOM 0 HA2 GLY A 850 0.420 -10.032 -11.093 1.00 0.00 H new ATOM 0 HA3 GLY A 850 0.202 -8.615 -12.101 1.00 0.00 H new ATOM 10 N SER A 851 0.116 -8.854 -8.828 1.00 0.00 N ATOM 11 CA SER A 851 -0.020 -8.211 -7.504 1.00 0.00 C ATOM 12 C SER A 851 -1.435 -7.640 -7.245 1.00 0.00 C ATOM 13 O SER A 851 -2.365 -7.858 -8.030 1.00 0.00 O ATOM 14 CB SER A 851 1.112 -7.185 -7.304 1.00 0.00 C ATOM 15 OG SER A 851 1.213 -6.783 -5.945 1.00 0.00 O ATOM 0 H SER A 851 0.400 -9.831 -8.762 1.00 0.00 H new ATOM 0 HA SER A 851 0.092 -8.978 -6.738 1.00 0.00 H new ATOM 0 HB2 SER A 851 2.059 -7.617 -7.628 1.00 0.00 H new ATOM 0 HB3 SER A 851 0.929 -6.312 -7.931 1.00 0.00 H new ATOM 0 HG SER A 851 1.941 -6.133 -5.849 1.00 0.00 H new ATOM 21 N ARG A 852 -1.621 -6.915 -6.134 1.00 0.00 N ATOM 22 CA ARG A 852 -2.897 -6.302 -5.701 1.00 0.00 C ATOM 23 C ARG A 852 -3.381 -5.152 -6.604 1.00 0.00 C ATOM 24 O ARG A 852 -4.552 -4.786 -6.527 1.00 0.00 O ATOM 25 CB ARG A 852 -2.751 -5.796 -4.250 1.00 0.00 C ATOM 26 CG ARG A 852 -2.412 -6.868 -3.199 1.00 0.00 C ATOM 27 CD ARG A 852 -3.563 -7.860 -3.005 1.00 0.00 C ATOM 28 NE ARG A 852 -3.265 -8.861 -1.963 1.00 0.00 N ATOM 29 CZ ARG A 852 -4.089 -9.811 -1.551 1.00 0.00 C ATOM 30 NH1 ARG A 852 -5.292 -9.927 -2.028 1.00 0.00 N1+ ATOM 31 NH2 ARG A 852 -3.725 -10.674 -0.648 1.00 0.00 N ATOM 0 H ARG A 852 -0.860 -6.728 -5.482 1.00 0.00 H new ATOM 0 HA ARG A 852 -3.655 -7.082 -5.773 1.00 0.00 H new ATOM 0 HB2 ARG A 852 -1.973 -5.033 -4.228 1.00 0.00 H new ATOM 0 HB3 ARG A 852 -3.682 -5.310 -3.959 1.00 0.00 H new ATOM 0 HG2 ARG A 852 -1.516 -7.407 -3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 852 -2.184 -6.386 -2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 852 -4.468 -7.316 -2.736 1.00 0.00 H new ATOM 0 HD3 ARG A 852 -3.765 -8.368 -3.948 1.00 0.00 H new ATOM 0 HE ARG A 852 -2.346 -8.817 -1.523 1.00 0.00 H new ATOM 0 HH11 ARG A 852 -5.624 -9.276 -2.739 1.00 0.00 H new ATOM 0 HH12 ARG A 852 -5.905 -10.670 -1.691 1.00 0.00 H new ATOM 0 HH21 ARG A 852 -2.790 -10.626 -0.244 1.00 0.00 H new ATOM 0 HH22 ARG A 852 -4.375 -11.399 -0.344 1.00 0.00 H new ATOM 45 N ARG A 853 -2.496 -4.612 -7.459 1.00 0.00 N ATOM 46 CA ARG A 853 -2.640 -3.382 -8.274 1.00 0.00 C ATOM 47 C ARG A 853 -2.776 -2.091 -7.441 1.00 0.00 C ATOM 48 O ARG A 853 -3.309 -2.090 -6.329 1.00 0.00 O ATOM 49 CB ARG A 853 -3.797 -3.505 -9.290 1.00 0.00 C ATOM 50 CG ARG A 853 -3.792 -4.687 -10.275 1.00 0.00 C ATOM 51 CD ARG A 853 -2.912 -4.464 -11.513 1.00 0.00 C ATOM 52 NE ARG A 853 -1.488 -4.697 -11.229 1.00 0.00 N ATOM 53 CZ ARG A 853 -0.445 -4.069 -11.740 1.00 0.00 C ATOM 54 NH1 ARG A 853 -0.542 -3.073 -12.577 1.00 0.00 N1+ ATOM 55 NH2 ARG A 853 0.745 -4.462 -11.397 1.00 0.00 N ATOM 0 H ARG A 853 -1.590 -5.054 -7.614 1.00 0.00 H new ATOM 0 HA ARG A 853 -1.702 -3.290 -8.822 1.00 0.00 H new ATOM 0 HB2 ARG A 853 -4.729 -3.548 -8.726 1.00 0.00 H new ATOM 0 HB3 ARG A 853 -3.821 -2.586 -9.876 1.00 0.00 H new ATOM 0 HG2 ARG A 853 -3.448 -5.580 -9.753 1.00 0.00 H new ATOM 0 HG3 ARG A 853 -4.815 -4.881 -10.599 1.00 0.00 H new ATOM 0 HD2 ARG A 853 -3.236 -5.131 -12.312 1.00 0.00 H new ATOM 0 HD3 ARG A 853 -3.047 -3.445 -11.874 1.00 0.00 H new ATOM 0 HE ARG A 853 -1.281 -5.434 -10.555 1.00 0.00 H new ATOM 0 HH11 ARG A 853 -1.461 -2.741 -12.870 1.00 0.00 H new ATOM 0 HH12 ARG A 853 0.301 -2.627 -12.939 1.00 0.00 H new ATOM 0 HH21 ARG A 853 0.858 -5.240 -10.747 1.00 0.00 H new ATOM 0 HH22 ARG A 853 1.567 -3.993 -11.778 1.00 0.00 H new ATOM 69 N ALA A 854 -2.334 -0.976 -8.025 1.00 0.00 N ATOM 70 CA ALA A 854 -2.519 0.379 -7.492 1.00 0.00 C ATOM 71 C ALA A 854 -3.801 1.049 -8.017 1.00 0.00 C ATOM 72 O ALA A 854 -4.328 0.667 -9.065 1.00 0.00 O ATOM 73 CB ALA A 854 -1.287 1.225 -7.827 1.00 0.00 C ATOM 0 H ALA A 854 -1.822 -0.989 -8.907 1.00 0.00 H new ATOM 0 HA ALA A 854 -2.633 0.303 -6.411 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -1.420 2.233 -7.433 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -0.402 0.773 -7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 854 -1.161 1.272 -8.909 1.00 0.00 H new ATOM 79 N SER A 855 -4.299 2.057 -7.295 1.00 0.00 N ATOM 80 CA SER A 855 -5.541 2.776 -7.616 1.00 0.00 C ATOM 81 C SER A 855 -5.744 4.087 -6.853 1.00 0.00 C ATOM 82 O SER A 855 -5.272 4.265 -5.730 1.00 0.00 O ATOM 83 CB SER A 855 -6.746 1.877 -7.372 1.00 0.00 C ATOM 84 OG SER A 855 -6.698 1.175 -6.134 1.00 0.00 O ATOM 0 H SER A 855 -3.842 2.405 -6.452 1.00 0.00 H new ATOM 0 HA SER A 855 -5.446 3.043 -8.668 1.00 0.00 H new ATOM 0 HB2 SER A 855 -7.651 2.483 -7.400 1.00 0.00 H new ATOM 0 HB3 SER A 855 -6.820 1.155 -8.186 1.00 0.00 H new ATOM 0 HG SER A 855 -7.556 1.271 -5.670 1.00 0.00 H new ATOM 90 N VAL A 856 -6.538 4.971 -7.462 1.00 0.00 N ATOM 91 CA VAL A 856 -7.071 6.218 -6.881 1.00 0.00 C ATOM 92 C VAL A 856 -8.495 6.490 -7.379 1.00 0.00 C ATOM 93 O VAL A 856 -8.938 5.937 -8.389 1.00 0.00 O ATOM 94 CB VAL A 856 -6.180 7.450 -7.149 1.00 0.00 C ATOM 95 CG1 VAL A 856 -4.838 7.363 -6.422 1.00 0.00 C ATOM 96 CG2 VAL A 856 -5.947 7.712 -8.640 1.00 0.00 C ATOM 0 H VAL A 856 -6.846 4.834 -8.425 1.00 0.00 H new ATOM 0 HA VAL A 856 -7.082 6.061 -5.802 1.00 0.00 H new ATOM 0 HB VAL A 856 -6.740 8.295 -6.748 1.00 0.00 H new ATOM 0 HG11 VAL A 856 -4.247 8.252 -6.642 1.00 0.00 H new ATOM 0 HG12 VAL A 856 -5.010 7.298 -5.348 1.00 0.00 H new ATOM 0 HG13 VAL A 856 -4.299 6.477 -6.758 1.00 0.00 H new ATOM 0 HG21 VAL A 856 -5.314 8.591 -8.760 1.00 0.00 H new ATOM 0 HG22 VAL A 856 -5.458 6.848 -9.089 1.00 0.00 H new ATOM 0 HG23 VAL A 856 -6.904 7.884 -9.133 1.00 0.00 H new ATOM 106 N GLY A 857 -9.209 7.357 -6.664 1.00 0.00 N ATOM 107 CA GLY A 857 -10.636 7.648 -6.836 1.00 0.00 C ATOM 108 C GLY A 857 -10.982 8.584 -8.002 1.00 0.00 C ATOM 109 O GLY A 857 -11.668 9.589 -7.808 1.00 0.00 O ATOM 0 H GLY A 857 -8.790 7.904 -5.912 1.00 0.00 H new ATOM 0 HA2 GLY A 857 -11.167 6.707 -6.979 1.00 0.00 H new ATOM 0 HA3 GLY A 857 -11.013 8.090 -5.914 1.00 0.00 H new ATOM 113 N SER A 858 -10.488 8.284 -9.205 1.00 0.00 N ATOM 114 CA SER A 858 -10.764 9.033 -10.434 1.00 0.00 C ATOM 115 C SER A 858 -12.237 8.942 -10.850 1.00 0.00 C ATOM 116 O SER A 858 -12.868 7.886 -10.765 1.00 0.00 O ATOM 117 CB SER A 858 -9.887 8.525 -11.587 1.00 0.00 C ATOM 118 OG SER A 858 -8.512 8.666 -11.266 1.00 0.00 O ATOM 0 H SER A 858 -9.866 7.490 -9.356 1.00 0.00 H new ATOM 0 HA SER A 858 -10.531 10.076 -10.221 1.00 0.00 H new ATOM 0 HB2 SER A 858 -10.113 7.478 -11.790 1.00 0.00 H new ATOM 0 HB3 SER A 858 -10.113 9.082 -12.496 1.00 0.00 H new ATOM 0 HG SER A 858 -7.967 8.336 -12.010 1.00 0.00 H new ATOM 124 N GLU A 859 -12.770 10.055 -11.350 1.00 0.00 N ATOM 125 CA GLU A 859 -14.144 10.185 -11.865 1.00 0.00 C ATOM 126 C GLU A 859 -14.245 11.220 -13.004 1.00 0.00 C ATOM 127 O GLU A 859 -13.470 12.179 -13.070 1.00 0.00 O ATOM 128 CB GLU A 859 -15.123 10.514 -10.719 1.00 0.00 C ATOM 129 CG GLU A 859 -14.913 11.899 -10.081 1.00 0.00 C ATOM 130 CD GLU A 859 -15.871 12.161 -8.897 1.00 0.00 C ATOM 131 OE1 GLU A 859 -15.402 12.615 -7.823 1.00 0.00 O ATOM 132 OE2 GLU A 859 -17.102 11.961 -9.036 1.00 0.00 O1- ATOM 0 H GLU A 859 -12.243 10.926 -11.413 1.00 0.00 H new ATOM 0 HA GLU A 859 -14.425 9.223 -12.293 1.00 0.00 H new ATOM 0 HB2 GLU A 859 -16.142 10.454 -11.100 1.00 0.00 H new ATOM 0 HB3 GLU A 859 -15.026 9.753 -9.945 1.00 0.00 H new ATOM 0 HG2 GLU A 859 -13.883 11.983 -9.735 1.00 0.00 H new ATOM 0 HG3 GLU A 859 -15.059 12.669 -10.838 1.00 0.00 H new ATOM 139 N PHE A 860 -15.214 11.018 -13.904 1.00 0.00 N ATOM 140 CA PHE A 860 -15.429 11.821 -15.116 1.00 0.00 C ATOM 141 C PHE A 860 -16.894 11.823 -15.586 1.00 0.00 C ATOM 142 O PHE A 860 -17.453 12.870 -15.914 1.00 0.00 O ATOM 143 CB PHE A 860 -14.548 11.232 -16.230 1.00 0.00 C ATOM 144 CG PHE A 860 -14.519 12.046 -17.511 1.00 0.00 C ATOM 145 CD1 PHE A 860 -15.128 11.553 -18.682 1.00 0.00 C ATOM 146 CD2 PHE A 860 -13.881 13.301 -17.533 1.00 0.00 C ATOM 147 CE1 PHE A 860 -15.106 12.315 -19.865 1.00 0.00 C ATOM 148 CE2 PHE A 860 -13.859 14.063 -18.716 1.00 0.00 C ATOM 149 CZ PHE A 860 -14.473 13.571 -19.881 1.00 0.00 C ATOM 0 H PHE A 860 -15.895 10.265 -13.806 1.00 0.00 H new ATOM 0 HA PHE A 860 -15.170 12.855 -14.887 1.00 0.00 H new ATOM 0 HB2 PHE A 860 -13.529 11.133 -15.855 1.00 0.00 H new ATOM 0 HB3 PHE A 860 -14.902 10.227 -16.462 1.00 0.00 H new ATOM 0 HD1 PHE A 860 -15.613 10.588 -18.672 1.00 0.00 H new ATOM 0 HD2 PHE A 860 -13.407 13.680 -16.640 1.00 0.00 H new ATOM 0 HE1 PHE A 860 -15.575 11.935 -20.761 1.00 0.00 H new ATOM 0 HE2 PHE A 860 -13.370 15.026 -18.729 1.00 0.00 H new ATOM 0 HZ PHE A 860 -14.459 14.157 -20.788 1.00 0.00 H new ATOM 159 N THR A 861 -17.502 10.633 -15.619 1.00 0.00 N ATOM 160 CA THR A 861 -18.827 10.368 -16.223 1.00 0.00 C ATOM 161 C THR A 861 -19.717 9.461 -15.340 1.00 0.00 C ATOM 162 O THR A 861 -19.624 9.509 -14.112 1.00 0.00 O ATOM 163 CB THR A 861 -18.620 9.908 -17.686 1.00 0.00 C ATOM 164 OG1 THR A 861 -19.844 9.816 -18.384 1.00 0.00 O ATOM 165 CG2 THR A 861 -17.906 8.564 -17.835 1.00 0.00 C ATOM 0 H THR A 861 -17.079 9.797 -15.216 1.00 0.00 H new ATOM 0 HA THR A 861 -19.417 11.284 -16.266 1.00 0.00 H new ATOM 0 HB THR A 861 -17.981 10.683 -18.110 1.00 0.00 H new ATOM 0 HG1 THR A 861 -19.675 9.525 -19.304 1.00 0.00 H new ATOM 0 HG21 THR A 861 -17.804 8.321 -18.893 1.00 0.00 H new ATOM 0 HG22 THR A 861 -16.917 8.625 -17.380 1.00 0.00 H new ATOM 0 HG23 THR A 861 -18.487 7.787 -17.339 1.00 0.00 H new ATOM 173 N GLU A 862 -20.631 8.691 -15.936 1.00 0.00 N ATOM 174 CA GLU A 862 -21.605 7.786 -15.297 1.00 0.00 C ATOM 175 C GLU A 862 -20.975 6.711 -14.379 1.00 0.00 C ATOM 176 O GLU A 862 -19.784 6.411 -14.473 1.00 0.00 O ATOM 177 CB GLU A 862 -22.434 7.083 -16.395 1.00 0.00 C ATOM 178 CG GLU A 862 -23.293 8.052 -17.227 1.00 0.00 C ATOM 179 CD GLU A 862 -24.081 7.384 -18.378 1.00 0.00 C ATOM 180 OE1 GLU A 862 -23.941 6.165 -18.641 1.00 0.00 O ATOM 181 OE2 GLU A 862 -24.845 8.103 -19.071 1.00 0.00 O1- ATOM 0 H GLU A 862 -20.721 8.679 -16.952 1.00 0.00 H new ATOM 0 HA GLU A 862 -22.224 8.412 -14.654 1.00 0.00 H new ATOM 0 HB2 GLU A 862 -21.759 6.544 -17.060 1.00 0.00 H new ATOM 0 HB3 GLU A 862 -23.083 6.341 -15.931 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -23.998 8.553 -16.564 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -22.646 8.823 -17.646 1.00 0.00 H new ATOM 188 N SER A 863 -21.795 6.099 -13.513 1.00 0.00 N ATOM 189 CA SER A 863 -21.481 4.936 -12.658 1.00 0.00 C ATOM 190 C SER A 863 -20.494 3.941 -13.287 1.00 0.00 C ATOM 191 O SER A 863 -20.639 3.538 -14.446 1.00 0.00 O ATOM 192 CB SER A 863 -22.779 4.200 -12.324 1.00 0.00 C ATOM 193 OG SER A 863 -23.682 5.095 -11.690 1.00 0.00 O ATOM 0 H SER A 863 -22.754 6.419 -13.380 1.00 0.00 H new ATOM 0 HA SER A 863 -20.996 5.332 -11.766 1.00 0.00 H new ATOM 0 HB2 SER A 863 -23.226 3.799 -13.233 1.00 0.00 H new ATOM 0 HB3 SER A 863 -22.571 3.353 -11.671 1.00 0.00 H new ATOM 0 HG SER A 863 -24.515 4.624 -11.477 1.00 0.00 H new ATOM 199 N ALA A 864 -19.473 3.560 -12.518 1.00 0.00 N ATOM 200 CA ALA A 864 -18.235 2.966 -13.035 1.00 0.00 C ATOM 201 C ALA A 864 -18.071 1.508 -12.594 1.00 0.00 C ATOM 202 O ALA A 864 -18.967 0.921 -11.993 1.00 0.00 O ATOM 203 CB ALA A 864 -17.043 3.821 -12.580 1.00 0.00 C ATOM 0 H ALA A 864 -19.481 3.656 -11.503 1.00 0.00 H new ATOM 0 HA ALA A 864 -18.281 2.955 -14.124 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -16.118 3.387 -12.960 1.00 0.00 H new ATOM 0 HB2 ALA A 864 -17.154 4.834 -12.966 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -17.010 3.849 -11.491 1.00 0.00 H new ATOM 209 N TRP A 865 -16.914 0.914 -12.869 1.00 0.00 N ATOM 210 CA TRP A 865 -16.562 -0.401 -12.333 1.00 0.00 C ATOM 211 C TRP A 865 -15.598 -0.295 -11.141 1.00 0.00 C ATOM 212 O TRP A 865 -15.102 0.782 -10.802 1.00 0.00 O ATOM 213 CB TRP A 865 -16.048 -1.267 -13.486 1.00 0.00 C ATOM 214 CG TRP A 865 -17.060 -1.469 -14.574 1.00 0.00 C ATOM 215 CD1 TRP A 865 -17.322 -0.590 -15.566 1.00 0.00 C ATOM 216 CD2 TRP A 865 -17.996 -2.574 -14.769 1.00 0.00 C ATOM 217 NE1 TRP A 865 -18.359 -1.056 -16.346 1.00 0.00 N ATOM 218 CE2 TRP A 865 -18.801 -2.293 -15.915 1.00 0.00 C ATOM 219 CE3 TRP A 865 -18.214 -3.806 -14.117 1.00 0.00 C ATOM 220 CZ2 TRP A 865 -19.753 -3.203 -16.402 1.00 0.00 C ATOM 221 CZ3 TRP A 865 -19.171 -4.727 -14.593 1.00 0.00 C ATOM 222 CH2 TRP A 865 -19.940 -4.426 -15.732 1.00 0.00 C ATOM 0 H TRP A 865 -16.196 1.326 -13.466 1.00 0.00 H new ATOM 0 HA TRP A 865 -17.441 -0.890 -11.914 1.00 0.00 H new ATOM 0 HB2 TRP A 865 -15.157 -0.804 -13.910 1.00 0.00 H new ATOM 0 HB3 TRP A 865 -15.747 -2.239 -13.095 1.00 0.00 H new ATOM 0 HD1 TRP A 865 -16.797 0.340 -15.725 1.00 0.00 H new ATOM 0 HE1 TRP A 865 -18.751 -0.551 -17.141 1.00 0.00 H new ATOM 0 HE3 TRP A 865 -17.637 -4.049 -13.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 865 -20.335 -2.967 -17.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 865 -19.314 -5.667 -14.081 1.00 0.00 H new ATOM 0 HH2 TRP A 865 -20.673 -5.133 -16.092 1.00 0.00 H new ATOM 233 N VAL A 866 -15.348 -1.435 -10.500 1.00 0.00 N ATOM 234 CA VAL A 866 -14.280 -1.646 -9.508 1.00 0.00 C ATOM 235 C VAL A 866 -13.759 -3.080 -9.609 1.00 0.00 C ATOM 236 O VAL A 866 -14.543 -3.997 -9.869 1.00 0.00 O ATOM 237 CB VAL A 866 -14.751 -1.288 -8.086 1.00 0.00 C ATOM 238 CG1 VAL A 866 -15.867 -2.202 -7.570 1.00 0.00 C ATOM 239 CG2 VAL A 866 -13.608 -1.300 -7.067 1.00 0.00 C ATOM 0 H VAL A 866 -15.903 -2.275 -10.660 1.00 0.00 H new ATOM 0 HA VAL A 866 -13.452 -0.972 -9.728 1.00 0.00 H new ATOM 0 HB VAL A 866 -15.143 -0.275 -8.182 1.00 0.00 H new ATOM 0 HG11 VAL A 866 -16.152 -1.895 -6.564 1.00 0.00 H new ATOM 0 HG12 VAL A 866 -16.731 -2.129 -8.230 1.00 0.00 H new ATOM 0 HG13 VAL A 866 -15.513 -3.233 -7.549 1.00 0.00 H new ATOM 0 HG21 VAL A 866 -13.996 -1.041 -6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 866 -13.163 -2.294 -7.031 1.00 0.00 H new ATOM 0 HG23 VAL A 866 -12.851 -0.573 -7.361 1.00 0.00 H new ATOM 249 N ARG A 867 -12.443 -3.270 -9.452 1.00 0.00 N ATOM 250 CA ARG A 867 -11.803 -4.595 -9.418 1.00 0.00 C ATOM 251 C ARG A 867 -11.711 -5.123 -7.993 1.00 0.00 C ATOM 252 O ARG A 867 -11.466 -4.354 -7.063 1.00 0.00 O ATOM 253 CB ARG A 867 -10.395 -4.551 -10.037 1.00 0.00 C ATOM 254 CG ARG A 867 -10.076 -5.774 -10.910 1.00 0.00 C ATOM 255 CD ARG A 867 -8.651 -5.700 -11.481 1.00 0.00 C ATOM 256 NE ARG A 867 -7.731 -6.643 -10.802 1.00 0.00 N ATOM 257 CZ ARG A 867 -6.656 -7.201 -11.327 1.00 0.00 C ATOM 258 NH1 ARG A 867 -6.164 -6.852 -12.478 1.00 0.00 N1+ ATOM 259 NH2 ARG A 867 -6.033 -8.164 -10.721 1.00 0.00 N ATOM 0 H ARG A 867 -11.783 -2.500 -9.344 1.00 0.00 H new ATOM 0 HA ARG A 867 -12.427 -5.267 -10.007 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -10.299 -3.648 -10.640 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -9.657 -4.481 -9.238 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -10.186 -6.683 -10.319 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -10.794 -5.837 -11.728 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -8.676 -5.923 -12.548 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -8.271 -4.684 -11.376 1.00 0.00 H new ATOM 0 HE ARG A 867 -7.950 -6.884 -9.835 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -6.612 -6.114 -13.021 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -5.330 -7.316 -12.838 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -6.372 -8.504 -9.821 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -5.204 -8.581 -11.144 1.00 0.00 H new ATOM 273 N CYS A 868 -11.788 -6.439 -7.845 1.00 0.00 N ATOM 274 CA CYS A 868 -11.400 -7.117 -6.624 1.00 0.00 C ATOM 275 C CYS A 868 -9.865 -7.069 -6.417 1.00 0.00 C ATOM 276 O CYS A 868 -9.092 -7.521 -7.269 1.00 0.00 O ATOM 277 CB CYS A 868 -11.972 -8.530 -6.724 1.00 0.00 C ATOM 278 SG CYS A 868 -11.768 -9.459 -5.174 1.00 0.00 S ATOM 0 H CYS A 868 -12.124 -7.066 -8.576 1.00 0.00 H new ATOM 0 HA CYS A 868 -11.800 -6.628 -5.736 1.00 0.00 H new ATOM 0 HB2 CYS A 868 -13.031 -8.475 -6.977 1.00 0.00 H new ATOM 0 HB3 CYS A 868 -11.477 -9.065 -7.535 1.00 0.00 H new ATOM 283 N ASP A 869 -9.433 -6.549 -5.268 1.00 0.00 N ATOM 284 CA ASP A 869 -8.064 -6.650 -4.751 1.00 0.00 C ATOM 285 C ASP A 869 -7.652 -8.084 -4.347 1.00 0.00 C ATOM 286 O ASP A 869 -6.494 -8.292 -3.980 1.00 0.00 O ATOM 287 CB ASP A 869 -7.898 -5.699 -3.549 1.00 0.00 C ATOM 288 CG ASP A 869 -7.765 -4.219 -3.941 1.00 0.00 C ATOM 289 OD1 ASP A 869 -8.771 -3.494 -4.089 1.00 0.00 O ATOM 290 OD2 ASP A 869 -6.619 -3.735 -4.079 1.00 0.00 O1- ATOM 0 H ASP A 869 -10.049 -6.025 -4.646 1.00 0.00 H new ATOM 0 HA ASP A 869 -7.401 -6.363 -5.567 1.00 0.00 H new ATOM 0 HB2 ASP A 869 -8.756 -5.814 -2.886 1.00 0.00 H new ATOM 0 HB3 ASP A 869 -7.015 -5.996 -2.982 1.00 0.00 H new ATOM 295 N ASP A 870 -8.549 -9.079 -4.396 1.00 0.00 N ATOM 296 CA ASP A 870 -8.278 -10.456 -3.939 1.00 0.00 C ATOM 297 C ASP A 870 -8.484 -11.532 -5.024 1.00 0.00 C ATOM 298 O ASP A 870 -7.936 -12.631 -4.906 1.00 0.00 O ATOM 299 CB ASP A 870 -9.075 -10.753 -2.659 1.00 0.00 C ATOM 300 CG ASP A 870 -8.497 -11.932 -1.851 1.00 0.00 C ATOM 301 OD1 ASP A 870 -9.272 -12.828 -1.438 1.00 0.00 O ATOM 302 OD2 ASP A 870 -7.273 -11.931 -1.563 1.00 0.00 O1- ATOM 0 H ASP A 870 -9.494 -8.952 -4.757 1.00 0.00 H new ATOM 0 HA ASP A 870 -7.214 -10.509 -3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 870 -9.090 -9.862 -2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 870 -10.109 -10.973 -2.924 1.00 0.00 H new ATOM 307 N CYS A 871 -9.182 -11.190 -6.113 1.00 0.00 N ATOM 308 CA CYS A 871 -9.057 -11.845 -7.405 1.00 0.00 C ATOM 309 C CYS A 871 -8.722 -10.815 -8.522 1.00 0.00 C ATOM 310 O CYS A 871 -7.620 -10.260 -8.581 1.00 0.00 O ATOM 311 CB CYS A 871 -10.251 -12.823 -7.622 1.00 0.00 C ATOM 312 SG CYS A 871 -11.914 -12.116 -7.961 1.00 0.00 S ATOM 0 H CYS A 871 -9.864 -10.431 -6.113 1.00 0.00 H new ATOM 0 HA CYS A 871 -8.191 -12.505 -7.448 1.00 0.00 H new ATOM 0 HB2 CYS A 871 -9.994 -13.480 -8.453 1.00 0.00 H new ATOM 0 HB3 CYS A 871 -10.332 -13.449 -6.734 1.00 0.00 H new ATOM 317 N PHE A 872 -9.684 -10.590 -9.407 1.00 0.00 N ATOM 318 CA PHE A 872 -9.605 -9.777 -10.635 1.00 0.00 C ATOM 319 C PHE A 872 -10.950 -9.494 -11.333 1.00 0.00 C ATOM 320 O PHE A 872 -10.994 -8.798 -12.352 1.00 0.00 O ATOM 321 CB PHE A 872 -8.659 -10.457 -11.629 1.00 0.00 C ATOM 322 CG PHE A 872 -8.941 -11.926 -11.910 1.00 0.00 C ATOM 323 CD1 PHE A 872 -9.950 -12.298 -12.821 1.00 0.00 C ATOM 324 CD2 PHE A 872 -8.198 -12.926 -11.252 1.00 0.00 C ATOM 325 CE1 PHE A 872 -10.220 -13.657 -13.062 1.00 0.00 C ATOM 326 CE2 PHE A 872 -8.468 -14.285 -11.494 1.00 0.00 C ATOM 327 CZ PHE A 872 -9.480 -14.651 -12.398 1.00 0.00 C ATOM 0 H PHE A 872 -10.612 -10.996 -9.286 1.00 0.00 H new ATOM 0 HA PHE A 872 -9.235 -8.804 -10.312 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -8.699 -9.912 -12.572 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -7.640 -10.367 -11.252 1.00 0.00 H new ATOM 0 HD1 PHE A 872 -10.518 -11.537 -13.336 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -7.418 -12.648 -10.559 1.00 0.00 H new ATOM 0 HE1 PHE A 872 -10.997 -13.937 -13.758 1.00 0.00 H new ATOM 0 HE2 PHE A 872 -7.897 -15.048 -10.985 1.00 0.00 H new ATOM 0 HZ PHE A 872 -9.689 -15.694 -12.582 1.00 0.00 H new ATOM 337 N LYS A 873 -12.050 -10.033 -10.806 1.00 0.00 N ATOM 338 CA LYS A 873 -13.430 -9.737 -11.209 1.00 0.00 C ATOM 339 C LYS A 873 -13.739 -8.238 -11.184 1.00 0.00 C ATOM 340 O LYS A 873 -13.178 -7.504 -10.367 1.00 0.00 O ATOM 341 CB LYS A 873 -14.381 -10.457 -10.257 1.00 0.00 C ATOM 342 CG LYS A 873 -15.813 -10.381 -10.787 1.00 0.00 C ATOM 343 CD LYS A 873 -16.633 -11.590 -10.382 1.00 0.00 C ATOM 344 CE LYS A 873 -16.910 -11.564 -8.880 1.00 0.00 C ATOM 345 NZ LYS A 873 -18.070 -12.414 -8.557 1.00 0.00 N1+ ATOM 0 H LYS A 873 -12.004 -10.719 -10.053 1.00 0.00 H new ATOM 0 HA LYS A 873 -13.559 -10.080 -12.235 1.00 0.00 H new ATOM 0 HB2 LYS A 873 -14.080 -11.499 -10.149 1.00 0.00 H new ATOM 0 HB3 LYS A 873 -14.327 -10.005 -9.266 1.00 0.00 H new ATOM 0 HG2 LYS A 873 -16.291 -9.476 -10.411 1.00 0.00 H new ATOM 0 HG3 LYS A 873 -15.794 -10.304 -11.874 1.00 0.00 H new ATOM 0 HD2 LYS A 873 -17.574 -11.600 -10.932 1.00 0.00 H new ATOM 0 HD3 LYS A 873 -16.100 -12.504 -10.645 1.00 0.00 H new ATOM 0 HE2 LYS A 873 -16.032 -11.913 -8.336 1.00 0.00 H new ATOM 0 HE3 LYS A 873 -17.100 -10.541 -8.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 873 -18.066 -12.635 -7.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 873 -18.947 -11.911 -8.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 873 -18.016 -13.297 -9.103 1.00 0.00 H new ATOM 359 N TRP A 874 -14.699 -7.821 -12.010 1.00 0.00 N ATOM 360 CA TRP A 874 -15.270 -6.475 -11.999 1.00 0.00 C ATOM 361 C TRP A 874 -16.706 -6.437 -11.459 1.00 0.00 C ATOM 362 O TRP A 874 -17.488 -7.370 -11.664 1.00 0.00 O ATOM 363 CB TRP A 874 -15.194 -5.872 -13.407 1.00 0.00 C ATOM 364 CG TRP A 874 -13.824 -5.891 -14.007 1.00 0.00 C ATOM 365 CD1 TRP A 874 -13.333 -6.825 -14.851 1.00 0.00 C ATOM 366 CD2 TRP A 874 -12.721 -4.982 -13.741 1.00 0.00 C ATOM 367 NE1 TRP A 874 -11.992 -6.576 -15.087 1.00 0.00 N ATOM 368 CE2 TRP A 874 -11.561 -5.469 -14.407 1.00 0.00 C ATOM 369 CE3 TRP A 874 -12.582 -3.801 -12.992 1.00 0.00 C ATOM 370 CZ2 TRP A 874 -10.317 -4.834 -14.326 1.00 0.00 C ATOM 371 CZ3 TRP A 874 -11.341 -3.148 -12.922 1.00 0.00 C ATOM 372 CH2 TRP A 874 -10.211 -3.651 -13.581 1.00 0.00 C ATOM 0 H TRP A 874 -15.110 -8.425 -12.722 1.00 0.00 H new ATOM 0 HA TRP A 874 -14.676 -5.873 -11.311 1.00 0.00 H new ATOM 0 HB2 TRP A 874 -15.873 -6.418 -14.062 1.00 0.00 H new ATOM 0 HB3 TRP A 874 -15.548 -4.842 -13.369 1.00 0.00 H new ATOM 0 HD1 TRP A 874 -13.900 -7.640 -15.276 1.00 0.00 H new ATOM 0 HE1 TRP A 874 -11.400 -7.146 -15.691 1.00 0.00 H new ATOM 0 HE3 TRP A 874 -13.434 -3.394 -12.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 874 -9.455 -5.247 -14.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 874 -11.255 -2.238 -12.347 1.00 0.00 H new ATOM 0 HH2 TRP A 874 -9.266 -3.132 -13.515 1.00 0.00 H new ATOM 383 N ARG A 875 -17.073 -5.319 -10.824 1.00 0.00 N ATOM 384 CA ARG A 875 -18.440 -4.994 -10.381 1.00 0.00 C ATOM 385 C ARG A 875 -18.821 -3.580 -10.807 1.00 0.00 C ATOM 386 O ARG A 875 -18.038 -2.660 -10.592 1.00 0.00 O ATOM 387 CB ARG A 875 -18.544 -5.095 -8.847 1.00 0.00 C ATOM 388 CG ARG A 875 -18.508 -6.515 -8.260 1.00 0.00 C ATOM 389 CD ARG A 875 -19.547 -7.494 -8.801 1.00 0.00 C ATOM 390 NE ARG A 875 -20.885 -6.867 -8.899 1.00 0.00 N ATOM 391 CZ ARG A 875 -21.627 -6.812 -9.986 1.00 0.00 C ATOM 392 NH1 ARG A 875 -21.271 -7.427 -11.068 1.00 0.00 N1+ ATOM 393 NH2 ARG A 875 -22.707 -6.100 -10.032 1.00 0.00 N ATOM 0 H ARG A 875 -16.403 -4.585 -10.594 1.00 0.00 H new ATOM 0 HA ARG A 875 -19.121 -5.708 -10.844 1.00 0.00 H new ATOM 0 HB2 ARG A 875 -17.727 -4.522 -8.409 1.00 0.00 H new ATOM 0 HB3 ARG A 875 -19.472 -4.617 -8.534 1.00 0.00 H new ATOM 0 HG2 ARG A 875 -17.517 -6.934 -8.437 1.00 0.00 H new ATOM 0 HG3 ARG A 875 -18.635 -6.443 -7.180 1.00 0.00 H new ATOM 0 HD2 ARG A 875 -19.237 -7.848 -9.784 1.00 0.00 H new ATOM 0 HD3 ARG A 875 -19.600 -8.367 -8.150 1.00 0.00 H new ATOM 0 HE ARG A 875 -21.264 -6.442 -8.053 1.00 0.00 H new ATOM 0 HH11 ARG A 875 -20.404 -7.964 -11.087 1.00 0.00 H new ATOM 0 HH12 ARG A 875 -21.857 -7.374 -11.901 1.00 0.00 H new ATOM 0 HH21 ARG A 875 -23.000 -5.565 -9.215 1.00 0.00 H new ATOM 0 HH22 ARG A 875 -23.265 -6.074 -10.886 1.00 0.00 H new ATOM 407 N ARG A 876 -20.018 -3.401 -11.374 1.00 0.00 N ATOM 408 CA ARG A 876 -20.629 -2.087 -11.635 1.00 0.00 C ATOM 409 C ARG A 876 -21.085 -1.455 -10.314 1.00 0.00 C ATOM 410 O ARG A 876 -21.874 -2.053 -9.582 1.00 0.00 O ATOM 411 CB ARG A 876 -21.770 -2.261 -12.655 1.00 0.00 C ATOM 412 CG ARG A 876 -22.655 -1.020 -12.852 1.00 0.00 C ATOM 413 CD ARG A 876 -21.980 0.237 -13.431 1.00 0.00 C ATOM 414 NE ARG A 876 -21.415 0.079 -14.788 1.00 0.00 N ATOM 415 CZ ARG A 876 -22.090 -0.077 -15.915 1.00 0.00 C ATOM 416 NH1 ARG A 876 -23.357 -0.356 -15.945 1.00 0.00 N1+ ATOM 417 NH2 ARG A 876 -21.528 0.074 -17.075 1.00 0.00 N ATOM 0 H ARG A 876 -20.605 -4.180 -11.672 1.00 0.00 H new ATOM 0 HA ARG A 876 -19.906 -1.398 -12.072 1.00 0.00 H new ATOM 0 HB2 ARG A 876 -21.339 -2.539 -13.617 1.00 0.00 H new ATOM 0 HB3 ARG A 876 -22.400 -3.092 -12.336 1.00 0.00 H new ATOM 0 HG2 ARG A 876 -23.481 -1.294 -13.509 1.00 0.00 H new ATOM 0 HG3 ARG A 876 -23.089 -0.757 -11.887 1.00 0.00 H new ATOM 0 HD2 ARG A 876 -22.710 1.046 -13.451 1.00 0.00 H new ATOM 0 HD3 ARG A 876 -21.182 0.545 -12.756 1.00 0.00 H new ATOM 0 HE ARG A 876 -20.398 0.092 -14.863 1.00 0.00 H new ATOM 0 HH11 ARG A 876 -23.876 -0.464 -15.074 1.00 0.00 H new ATOM 0 HH12 ARG A 876 -23.834 -0.467 -16.840 1.00 0.00 H new ATOM 0 HH21 ARG A 876 -20.540 0.320 -17.135 1.00 0.00 H new ATOM 0 HH22 ARG A 876 -22.074 -0.053 -17.927 1.00 0.00 H new ATOM 431 N ILE A 877 -20.603 -0.245 -10.036 1.00 0.00 N ATOM 432 CA ILE A 877 -20.894 0.542 -8.822 1.00 0.00 C ATOM 433 C ILE A 877 -21.263 1.996 -9.165 1.00 0.00 C ATOM 434 O ILE A 877 -20.795 2.523 -10.178 1.00 0.00 O ATOM 435 CB ILE A 877 -19.699 0.492 -7.836 1.00 0.00 C ATOM 436 CG1 ILE A 877 -18.489 1.302 -8.357 1.00 0.00 C ATOM 437 CG2 ILE A 877 -19.330 -0.966 -7.515 1.00 0.00 C ATOM 438 CD1 ILE A 877 -17.316 1.379 -7.376 1.00 0.00 C ATOM 0 H ILE A 877 -19.972 0.241 -10.673 1.00 0.00 H new ATOM 0 HA ILE A 877 -21.759 0.091 -8.336 1.00 0.00 H new ATOM 0 HB ILE A 877 -20.005 0.969 -6.905 1.00 0.00 H new ATOM 0 HG12 ILE A 877 -18.141 0.855 -9.288 1.00 0.00 H new ATOM 0 HG13 ILE A 877 -18.818 2.314 -8.593 1.00 0.00 H new ATOM 0 HG21 ILE A 877 -18.489 -0.984 -6.822 1.00 0.00 H new ATOM 0 HG22 ILE A 877 -20.186 -1.466 -7.061 1.00 0.00 H new ATOM 0 HG23 ILE A 877 -19.053 -1.482 -8.434 1.00 0.00 H new ATOM 0 HD11 ILE A 877 -16.510 1.964 -7.818 1.00 0.00 H new ATOM 0 HD12 ILE A 877 -17.645 1.855 -6.452 1.00 0.00 H new ATOM 0 HD13 ILE A 877 -16.957 0.373 -7.158 1.00 0.00 H new ATOM 450 N PRO A 878 -22.050 2.698 -8.331 1.00 0.00 N ATOM 451 CA PRO A 878 -22.287 4.125 -8.520 1.00 0.00 C ATOM 452 C PRO A 878 -21.030 4.959 -8.261 1.00 0.00 C ATOM 453 O PRO A 878 -20.238 4.669 -7.364 1.00 0.00 O ATOM 454 CB PRO A 878 -23.413 4.489 -7.548 1.00 0.00 C ATOM 455 CG PRO A 878 -23.254 3.464 -6.424 1.00 0.00 C ATOM 456 CD PRO A 878 -22.756 2.215 -7.151 1.00 0.00 C ATOM 0 HA PRO A 878 -22.562 4.341 -9.552 1.00 0.00 H new ATOM 0 HB2 PRO A 878 -23.311 5.510 -7.179 1.00 0.00 H new ATOM 0 HB3 PRO A 878 -24.392 4.418 -8.022 1.00 0.00 H new ATOM 0 HG2 PRO A 878 -22.542 3.801 -5.671 1.00 0.00 H new ATOM 0 HG3 PRO A 878 -24.198 3.281 -5.911 1.00 0.00 H new ATOM 0 HD2 PRO A 878 -22.095 1.628 -6.513 1.00 0.00 H new ATOM 0 HD3 PRO A 878 -23.587 1.567 -7.430 1.00 0.00 H new ATOM 464 N ALA A 879 -20.895 6.062 -9.000 1.00 0.00 N ATOM 465 CA ALA A 879 -19.817 7.048 -8.859 1.00 0.00 C ATOM 466 C ALA A 879 -19.671 7.628 -7.428 1.00 0.00 C ATOM 467 O ALA A 879 -18.610 8.126 -7.051 1.00 0.00 O ATOM 468 CB ALA A 879 -20.105 8.152 -9.879 1.00 0.00 C ATOM 0 H ALA A 879 -21.555 6.303 -9.739 1.00 0.00 H new ATOM 0 HA ALA A 879 -18.861 6.559 -9.044 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -19.330 8.916 -9.817 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -20.116 7.726 -10.882 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -21.075 8.601 -9.665 1.00 0.00 H new ATOM 474 N SER A 880 -20.703 7.489 -6.591 1.00 0.00 N ATOM 475 CA SER A 880 -20.685 7.814 -5.157 1.00 0.00 C ATOM 476 C SER A 880 -19.631 7.022 -4.368 1.00 0.00 C ATOM 477 O SER A 880 -19.146 7.516 -3.347 1.00 0.00 O ATOM 478 CB SER A 880 -22.066 7.534 -4.548 1.00 0.00 C ATOM 479 OG SER A 880 -23.098 8.158 -5.301 1.00 0.00 O ATOM 0 H SER A 880 -21.608 7.135 -6.902 1.00 0.00 H new ATOM 0 HA SER A 880 -20.425 8.870 -5.082 1.00 0.00 H new ATOM 0 HB2 SER A 880 -22.239 6.458 -4.512 1.00 0.00 H new ATOM 0 HB3 SER A 880 -22.093 7.896 -3.520 1.00 0.00 H new ATOM 0 HG SER A 880 -23.966 7.961 -4.891 1.00 0.00 H new ATOM 485 N VAL A 881 -19.243 5.825 -4.838 1.00 0.00 N ATOM 486 CA VAL A 881 -18.122 5.042 -4.263 1.00 0.00 C ATOM 487 C VAL A 881 -16.846 5.097 -5.098 1.00 0.00 C ATOM 488 O VAL A 881 -15.756 4.976 -4.547 1.00 0.00 O ATOM 489 CB VAL A 881 -18.448 3.554 -3.990 1.00 0.00 C ATOM 490 CG1 VAL A 881 -18.154 3.222 -2.523 1.00 0.00 C ATOM 491 CG2 VAL A 881 -19.891 3.115 -4.273 1.00 0.00 C ATOM 0 H VAL A 881 -19.695 5.367 -5.629 1.00 0.00 H new ATOM 0 HA VAL A 881 -17.958 5.542 -3.309 1.00 0.00 H new ATOM 0 HB VAL A 881 -17.814 3.013 -4.693 1.00 0.00 H new ATOM 0 HG11 VAL A 881 -18.385 2.174 -2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 881 -17.100 3.405 -2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 881 -18.768 3.851 -1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 881 -20.000 2.055 -4.045 1.00 0.00 H new ATOM 0 HG22 VAL A 881 -20.575 3.692 -3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 881 -20.124 3.286 -5.324 1.00 0.00 H new ATOM 501 N VAL A 882 -16.944 5.307 -6.412 1.00 0.00 N ATOM 502 CA VAL A 882 -15.764 5.368 -7.309 1.00 0.00 C ATOM 503 C VAL A 882 -14.783 6.481 -6.917 1.00 0.00 C ATOM 504 O VAL A 882 -13.577 6.341 -7.091 1.00 0.00 O ATOM 505 CB VAL A 882 -16.149 5.501 -8.803 1.00 0.00 C ATOM 506 CG1 VAL A 882 -17.307 4.592 -9.220 1.00 0.00 C ATOM 507 CG2 VAL A 882 -16.303 6.931 -9.342 1.00 0.00 C ATOM 0 H VAL A 882 -17.834 5.440 -6.893 1.00 0.00 H new ATOM 0 HA VAL A 882 -15.260 4.410 -7.179 1.00 0.00 H new ATOM 0 HB VAL A 882 -15.255 5.132 -9.305 1.00 0.00 H new ATOM 0 HG11 VAL A 882 -17.522 4.739 -10.279 1.00 0.00 H new ATOM 0 HG12 VAL A 882 -17.034 3.551 -9.046 1.00 0.00 H new ATOM 0 HG13 VAL A 882 -18.192 4.838 -8.633 1.00 0.00 H new ATOM 0 HG21 VAL A 882 -16.573 6.895 -10.397 1.00 0.00 H new ATOM 0 HG22 VAL A 882 -17.084 7.448 -8.785 1.00 0.00 H new ATOM 0 HG23 VAL A 882 -15.361 7.467 -9.227 1.00 0.00 H new ATOM 517 N GLY A 883 -15.310 7.558 -6.332 1.00 0.00 N ATOM 518 CA GLY A 883 -14.563 8.686 -5.756 1.00 0.00 C ATOM 519 C GLY A 883 -14.074 8.473 -4.313 1.00 0.00 C ATOM 520 O GLY A 883 -13.487 9.382 -3.724 1.00 0.00 O ATOM 0 H GLY A 883 -16.319 7.677 -6.241 1.00 0.00 H new ATOM 0 HA2 GLY A 883 -13.700 8.892 -6.389 1.00 0.00 H new ATOM 0 HA3 GLY A 883 -15.196 9.573 -5.782 1.00 0.00 H new ATOM 524 N SER A 884 -14.332 7.294 -3.738 1.00 0.00 N ATOM 525 CA SER A 884 -14.043 6.915 -2.344 1.00 0.00 C ATOM 526 C SER A 884 -13.170 5.650 -2.229 1.00 0.00 C ATOM 527 O SER A 884 -12.433 5.497 -1.250 1.00 0.00 O ATOM 528 CB SER A 884 -15.377 6.738 -1.605 1.00 0.00 C ATOM 529 OG SER A 884 -15.200 6.491 -0.219 1.00 0.00 O ATOM 0 H SER A 884 -14.772 6.535 -4.258 1.00 0.00 H new ATOM 0 HA SER A 884 -13.457 7.712 -1.886 1.00 0.00 H new ATOM 0 HB2 SER A 884 -15.984 7.634 -1.737 1.00 0.00 H new ATOM 0 HB3 SER A 884 -15.929 5.911 -2.051 1.00 0.00 H new ATOM 0 HG SER A 884 -16.075 6.387 0.209 1.00 0.00 H new ATOM 535 N ILE A 885 -13.188 4.759 -3.234 1.00 0.00 N ATOM 536 CA ILE A 885 -12.196 3.676 -3.362 1.00 0.00 C ATOM 537 C ILE A 885 -10.852 4.273 -3.839 1.00 0.00 C ATOM 538 O ILE A 885 -10.775 4.959 -4.858 1.00 0.00 O ATOM 539 CB ILE A 885 -12.739 2.520 -4.250 1.00 0.00 C ATOM 540 CG1 ILE A 885 -13.573 1.474 -3.465 1.00 0.00 C ATOM 541 CG2 ILE A 885 -11.630 1.701 -4.924 1.00 0.00 C ATOM 542 CD1 ILE A 885 -14.859 2.014 -2.846 1.00 0.00 C ATOM 0 H ILE A 885 -13.886 4.768 -3.977 1.00 0.00 H new ATOM 0 HA ILE A 885 -12.009 3.214 -2.393 1.00 0.00 H new ATOM 0 HB ILE A 885 -13.350 3.052 -4.979 1.00 0.00 H new ATOM 0 HG12 ILE A 885 -13.826 0.654 -4.137 1.00 0.00 H new ATOM 0 HG13 ILE A 885 -12.952 1.056 -2.672 1.00 0.00 H new ATOM 0 HG21 ILE A 885 -12.077 0.911 -5.528 1.00 0.00 H new ATOM 0 HG22 ILE A 885 -11.033 2.353 -5.562 1.00 0.00 H new ATOM 0 HG23 ILE A 885 -10.991 1.256 -4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 885 -15.374 1.211 -2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 885 -14.618 2.813 -2.145 1.00 0.00 H new ATOM 0 HD13 ILE A 885 -15.505 2.404 -3.632 1.00 0.00 H new ATOM 554 N ASP A 886 -9.781 3.977 -3.099 1.00 0.00 N ATOM 555 CA ASP A 886 -8.370 4.321 -3.353 1.00 0.00 C ATOM 556 C ASP A 886 -7.471 3.159 -2.894 1.00 0.00 C ATOM 557 O ASP A 886 -7.959 2.270 -2.209 1.00 0.00 O ATOM 558 CB ASP A 886 -7.961 5.601 -2.593 1.00 0.00 C ATOM 559 CG ASP A 886 -8.710 6.881 -3.002 1.00 0.00 C ATOM 560 OD1 ASP A 886 -8.248 7.561 -3.948 1.00 0.00 O ATOM 561 OD2 ASP A 886 -9.697 7.264 -2.328 1.00 0.00 O1- ATOM 0 H ASP A 886 -9.881 3.446 -2.234 1.00 0.00 H new ATOM 0 HA ASP A 886 -8.250 4.498 -4.422 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -8.116 5.435 -1.527 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -6.893 5.763 -2.738 1.00 0.00 H new ATOM 566 N GLU A 887 -6.163 3.161 -3.184 1.00 0.00 N ATOM 567 CA GLU A 887 -5.209 2.162 -2.644 1.00 0.00 C ATOM 568 C GLU A 887 -5.061 2.199 -1.104 1.00 0.00 C ATOM 569 O GLU A 887 -4.603 1.241 -0.476 1.00 0.00 O ATOM 570 CB GLU A 887 -3.835 2.369 -3.304 1.00 0.00 C ATOM 571 CG GLU A 887 -2.827 1.278 -2.899 1.00 0.00 C ATOM 572 CD GLU A 887 -1.659 1.092 -3.885 1.00 0.00 C ATOM 573 OE1 GLU A 887 -1.271 -0.080 -4.118 1.00 0.00 O ATOM 574 OE2 GLU A 887 -1.109 2.095 -4.400 1.00 0.00 O1- ATOM 0 H GLU A 887 -5.729 3.851 -3.798 1.00 0.00 H new ATOM 0 HA GLU A 887 -5.617 1.180 -2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 887 -3.951 2.371 -4.388 1.00 0.00 H new ATOM 0 HB3 GLU A 887 -3.442 3.347 -3.024 1.00 0.00 H new ATOM 0 HG2 GLU A 887 -2.422 1.522 -1.917 1.00 0.00 H new ATOM 0 HG3 GLU A 887 -3.356 0.330 -2.799 1.00 0.00 H new ATOM 581 N SER A 888 -5.471 3.304 -0.475 1.00 0.00 N ATOM 582 CA SER A 888 -5.640 3.406 0.982 1.00 0.00 C ATOM 583 C SER A 888 -6.759 2.480 1.509 1.00 0.00 C ATOM 584 O SER A 888 -6.713 2.009 2.650 1.00 0.00 O ATOM 585 CB SER A 888 -5.899 4.875 1.306 1.00 0.00 C ATOM 586 OG SER A 888 -6.007 5.116 2.700 1.00 0.00 O ATOM 0 H SER A 888 -5.699 4.167 -0.969 1.00 0.00 H new ATOM 0 HA SER A 888 -4.737 3.066 1.489 1.00 0.00 H new ATOM 0 HB2 SER A 888 -5.090 5.481 0.898 1.00 0.00 H new ATOM 0 HB3 SER A 888 -6.817 5.195 0.814 1.00 0.00 H new ATOM 0 HG SER A 888 -6.171 6.070 2.855 1.00 0.00 H new ATOM 592 N SER A 889 -7.730 2.157 0.647 1.00 0.00 N ATOM 593 CA SER A 889 -8.678 1.041 0.762 1.00 0.00 C ATOM 594 C SER A 889 -8.184 -0.188 -0.030 1.00 0.00 C ATOM 595 O SER A 889 -7.262 -0.087 -0.841 1.00 0.00 O ATOM 596 CB SER A 889 -10.041 1.509 0.228 1.00 0.00 C ATOM 597 OG SER A 889 -11.041 0.533 0.475 1.00 0.00 O ATOM 0 H SER A 889 -7.885 2.701 -0.202 1.00 0.00 H new ATOM 0 HA SER A 889 -8.766 0.743 1.807 1.00 0.00 H new ATOM 0 HB2 SER A 889 -10.319 2.450 0.703 1.00 0.00 H new ATOM 0 HB3 SER A 889 -9.971 1.701 -0.843 1.00 0.00 H new ATOM 0 HG SER A 889 -11.901 0.851 0.129 1.00 0.00 H new ATOM 603 N ARG A 890 -8.822 -1.351 0.144 1.00 0.00 N ATOM 604 CA ARG A 890 -8.776 -2.468 -0.822 1.00 0.00 C ATOM 605 C ARG A 890 -10.167 -3.103 -0.926 1.00 0.00 C ATOM 606 O ARG A 890 -10.657 -3.716 0.024 1.00 0.00 O ATOM 607 CB ARG A 890 -7.644 -3.475 -0.508 1.00 0.00 C ATOM 608 CG ARG A 890 -6.251 -2.907 -0.845 1.00 0.00 C ATOM 609 CD ARG A 890 -5.159 -3.963 -1.072 1.00 0.00 C ATOM 610 NE ARG A 890 -3.839 -3.339 -1.315 1.00 0.00 N ATOM 611 CZ ARG A 890 -3.392 -2.746 -2.416 1.00 0.00 C ATOM 612 NH1 ARG A 890 -4.074 -2.666 -3.521 1.00 0.00 N1+ ATOM 613 NH2 ARG A 890 -2.203 -2.217 -2.423 1.00 0.00 N ATOM 0 H ARG A 890 -9.392 -1.551 0.966 1.00 0.00 H new ATOM 0 HA ARG A 890 -8.517 -2.082 -1.808 1.00 0.00 H new ATOM 0 HB2 ARG A 890 -7.680 -3.742 0.548 1.00 0.00 H new ATOM 0 HB3 ARG A 890 -7.808 -4.392 -1.074 1.00 0.00 H new ATOM 0 HG2 ARG A 890 -6.333 -2.292 -1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 890 -5.937 -2.249 -0.034 1.00 0.00 H new ATOM 0 HD2 ARG A 890 -5.098 -4.617 -0.202 1.00 0.00 H new ATOM 0 HD3 ARG A 890 -5.428 -4.589 -1.923 1.00 0.00 H new ATOM 0 HE ARG A 890 -3.185 -3.368 -0.532 1.00 0.00 H new ATOM 0 HH11 ARG A 890 -5.008 -3.073 -3.574 1.00 0.00 H new ATOM 0 HH12 ARG A 890 -3.675 -2.197 -4.334 1.00 0.00 H new ATOM 0 HH21 ARG A 890 -1.621 -2.259 -1.586 1.00 0.00 H new ATOM 0 HH22 ARG A 890 -1.853 -1.760 -3.265 1.00 0.00 H new ATOM 627 N TRP A 891 -10.821 -2.890 -2.067 1.00 0.00 N ATOM 628 CA TRP A 891 -12.188 -3.322 -2.367 1.00 0.00 C ATOM 629 C TRP A 891 -12.190 -4.789 -2.844 1.00 0.00 C ATOM 630 O TRP A 891 -11.375 -5.159 -3.687 1.00 0.00 O ATOM 631 CB TRP A 891 -12.785 -2.365 -3.412 1.00 0.00 C ATOM 632 CG TRP A 891 -14.241 -2.551 -3.689 1.00 0.00 C ATOM 633 CD1 TRP A 891 -15.215 -1.738 -3.231 1.00 0.00 C ATOM 634 CD2 TRP A 891 -14.923 -3.614 -4.422 1.00 0.00 C ATOM 635 NE1 TRP A 891 -16.447 -2.196 -3.642 1.00 0.00 N ATOM 636 CE2 TRP A 891 -16.332 -3.399 -4.305 1.00 0.00 C ATOM 637 CE3 TRP A 891 -14.499 -4.760 -5.132 1.00 0.00 C ATOM 638 CZ2 TRP A 891 -17.269 -4.324 -4.779 1.00 0.00 C ATOM 639 CZ3 TRP A 891 -15.431 -5.703 -5.595 1.00 0.00 C ATOM 640 CH2 TRP A 891 -16.799 -5.504 -5.377 1.00 0.00 C ATOM 0 H TRP A 891 -10.393 -2.388 -2.845 1.00 0.00 H new ATOM 0 HA TRP A 891 -12.809 -3.284 -1.472 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -12.624 -1.341 -3.077 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -12.236 -2.485 -4.346 1.00 0.00 H new ATOM 0 HD1 TRP A 891 -15.052 -0.856 -2.629 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -17.328 -1.709 -3.478 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -13.447 -4.912 -5.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -18.328 -4.135 -4.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -15.091 -6.583 -6.120 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -17.502 -6.268 -5.673 1.00 0.00 H new ATOM 651 N ILE A 892 -13.096 -5.637 -2.340 1.00 0.00 N ATOM 652 CA ILE A 892 -13.197 -7.061 -2.734 1.00 0.00 C ATOM 653 C ILE A 892 -14.648 -7.544 -2.879 1.00 0.00 C ATOM 654 O ILE A 892 -15.564 -6.955 -2.296 1.00 0.00 O ATOM 655 CB ILE A 892 -12.426 -7.969 -1.745 1.00 0.00 C ATOM 656 CG1 ILE A 892 -13.070 -7.963 -0.345 1.00 0.00 C ATOM 657 CG2 ILE A 892 -10.932 -7.614 -1.672 1.00 0.00 C ATOM 658 CD1 ILE A 892 -12.673 -9.172 0.504 1.00 0.00 C ATOM 0 H ILE A 892 -13.787 -5.359 -1.643 1.00 0.00 H new ATOM 0 HA ILE A 892 -12.737 -7.135 -3.719 1.00 0.00 H new ATOM 0 HB ILE A 892 -12.495 -8.984 -2.137 1.00 0.00 H new ATOM 0 HG12 ILE A 892 -12.782 -7.050 0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 892 -14.155 -7.941 -0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 892 -10.434 -8.278 -0.965 1.00 0.00 H new ATOM 0 HG22 ILE A 892 -10.482 -7.730 -2.658 1.00 0.00 H new ATOM 0 HG23 ILE A 892 -10.819 -6.582 -1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 892 -13.159 -9.108 1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 892 -12.985 -10.088 0.002 1.00 0.00 H new ATOM 0 HD13 ILE A 892 -11.591 -9.183 0.639 1.00 0.00 H new ATOM 670 N CYS A 893 -14.854 -8.679 -3.559 1.00 0.00 N ATOM 671 CA CYS A 893 -16.152 -9.333 -3.695 1.00 0.00 C ATOM 672 C CYS A 893 -16.890 -9.534 -2.344 1.00 0.00 C ATOM 673 O CYS A 893 -18.096 -9.308 -2.283 1.00 0.00 O ATOM 674 CB CYS A 893 -15.989 -10.667 -4.444 1.00 0.00 C ATOM 675 SG CYS A 893 -15.227 -10.506 -6.095 1.00 0.00 S ATOM 0 H CYS A 893 -14.103 -9.175 -4.039 1.00 0.00 H new ATOM 0 HA CYS A 893 -16.786 -8.664 -4.276 1.00 0.00 H new ATOM 0 HB2 CYS A 893 -15.381 -11.339 -3.839 1.00 0.00 H new ATOM 0 HB3 CYS A 893 -16.968 -11.133 -4.551 1.00 0.00 H new ATOM 680 N MET A 894 -16.211 -9.944 -1.259 1.00 0.00 N ATOM 681 CA MET A 894 -16.891 -10.198 0.027 1.00 0.00 C ATOM 682 C MET A 894 -17.448 -8.912 0.681 1.00 0.00 C ATOM 683 O MET A 894 -18.390 -8.962 1.471 1.00 0.00 O ATOM 684 CB MET A 894 -15.935 -10.961 0.960 1.00 0.00 C ATOM 685 CG MET A 894 -16.590 -11.489 2.245 1.00 0.00 C ATOM 686 SD MET A 894 -18.017 -12.598 2.036 1.00 0.00 S ATOM 687 CE MET A 894 -17.253 -13.988 1.155 1.00 0.00 C ATOM 0 H MET A 894 -15.204 -10.106 -1.244 1.00 0.00 H new ATOM 0 HA MET A 894 -17.769 -10.815 -0.166 1.00 0.00 H new ATOM 0 HB2 MET A 894 -15.507 -11.801 0.413 1.00 0.00 H new ATOM 0 HB3 MET A 894 -15.109 -10.303 1.231 1.00 0.00 H new ATOM 0 HG2 MET A 894 -15.831 -12.016 2.823 1.00 0.00 H new ATOM 0 HG3 MET A 894 -16.908 -10.634 2.842 1.00 0.00 H new ATOM 0 HE1 MET A 894 -17.984 -14.788 1.034 1.00 0.00 H new ATOM 0 HE2 MET A 894 -16.914 -13.655 0.174 1.00 0.00 H new ATOM 0 HE3 MET A 894 -16.402 -14.357 1.727 1.00 0.00 H new ATOM 697 N ASN A 895 -16.897 -7.747 0.315 1.00 0.00 N ATOM 698 CA ASN A 895 -17.365 -6.416 0.726 1.00 0.00 C ATOM 699 C ASN A 895 -18.496 -5.861 -0.175 1.00 0.00 C ATOM 700 O ASN A 895 -19.132 -4.866 0.179 1.00 0.00 O ATOM 701 CB ASN A 895 -16.126 -5.490 0.827 1.00 0.00 C ATOM 702 CG ASN A 895 -16.168 -4.227 -0.022 1.00 0.00 C ATOM 703 OD1 ASN A 895 -16.272 -3.113 0.471 1.00 0.00 O ATOM 704 ND2 ASN A 895 -16.071 -4.358 -1.324 1.00 0.00 N ATOM 0 H ASN A 895 -16.083 -7.704 -0.298 1.00 0.00 H new ATOM 0 HA ASN A 895 -17.841 -6.477 1.705 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -15.998 -5.199 1.870 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -15.243 -6.064 0.546 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -16.082 -3.532 -1.922 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -15.984 -5.286 -1.738 1.00 0.00 H new ATOM 711 N ASN A 896 -18.732 -6.481 -1.339 1.00 0.00 N ATOM 712 CA ASN A 896 -19.663 -6.010 -2.368 1.00 0.00 C ATOM 713 C ASN A 896 -21.088 -5.787 -1.830 1.00 0.00 C ATOM 714 O ASN A 896 -21.671 -6.644 -1.160 1.00 0.00 O ATOM 715 CB ASN A 896 -19.670 -7.015 -3.538 1.00 0.00 C ATOM 716 CG ASN A 896 -20.556 -6.644 -4.714 1.00 0.00 C ATOM 717 OD1 ASN A 896 -20.975 -5.515 -4.908 1.00 0.00 O ATOM 718 ND2 ASN A 896 -20.904 -7.613 -5.525 1.00 0.00 N ATOM 0 H ASN A 896 -18.265 -7.351 -1.596 1.00 0.00 H new ATOM 0 HA ASN A 896 -19.316 -5.036 -2.713 1.00 0.00 H new ATOM 0 HB2 ASN A 896 -18.648 -7.133 -3.899 1.00 0.00 H new ATOM 0 HB3 ASN A 896 -19.988 -7.986 -3.158 1.00 0.00 H new ATOM 0 HD21 ASN A 896 -21.522 -7.421 -6.313 1.00 0.00 H new ATOM 0 HD22 ASN A 896 -20.557 -8.559 -5.368 1.00 0.00 H new ATOM 725 N SER A 897 -21.664 -4.646 -2.207 1.00 0.00 N ATOM 726 CA SER A 897 -23.072 -4.291 -1.989 1.00 0.00 C ATOM 727 C SER A 897 -24.061 -5.302 -2.577 1.00 0.00 C ATOM 728 O SER A 897 -25.068 -5.639 -1.953 1.00 0.00 O ATOM 729 CB SER A 897 -23.345 -2.948 -2.670 1.00 0.00 C ATOM 730 OG SER A 897 -22.696 -1.893 -1.974 1.00 0.00 O ATOM 0 H SER A 897 -21.146 -3.913 -2.691 1.00 0.00 H new ATOM 0 HA SER A 897 -23.221 -4.264 -0.910 1.00 0.00 H new ATOM 0 HB2 SER A 897 -22.995 -2.980 -3.702 1.00 0.00 H new ATOM 0 HB3 SER A 897 -24.419 -2.763 -2.703 1.00 0.00 H new ATOM 0 HG SER A 897 -22.880 -1.042 -2.424 1.00 0.00 H new ATOM 736 N ASP A 898 -23.784 -5.773 -3.792 1.00 0.00 N ATOM 737 CA ASP A 898 -24.683 -6.641 -4.561 1.00 0.00 C ATOM 738 C ASP A 898 -24.518 -8.118 -4.179 1.00 0.00 C ATOM 739 O ASP A 898 -23.654 -8.831 -4.690 1.00 0.00 O ATOM 740 CB ASP A 898 -24.497 -6.471 -6.077 1.00 0.00 C ATOM 741 CG ASP A 898 -24.384 -5.036 -6.616 1.00 0.00 C ATOM 742 OD1 ASP A 898 -23.665 -4.868 -7.632 1.00 0.00 O ATOM 743 OD2 ASP A 898 -25.032 -4.104 -6.080 1.00 0.00 O1- ATOM 0 H ASP A 898 -22.914 -5.560 -4.281 1.00 0.00 H new ATOM 0 HA ASP A 898 -25.695 -6.328 -4.304 1.00 0.00 H new ATOM 0 HB2 ASP A 898 -23.598 -7.013 -6.370 1.00 0.00 H new ATOM 0 HB3 ASP A 898 -25.337 -6.954 -6.576 1.00 0.00 H new ATOM 748 N LYS A 899 -25.410 -8.604 -3.318 1.00 0.00 N ATOM 749 CA LYS A 899 -25.425 -9.975 -2.768 1.00 0.00 C ATOM 750 C LYS A 899 -25.542 -11.070 -3.841 1.00 0.00 C ATOM 751 O LYS A 899 -25.144 -12.210 -3.602 1.00 0.00 O ATOM 752 CB LYS A 899 -26.563 -10.092 -1.737 1.00 0.00 C ATOM 753 CG LYS A 899 -26.421 -9.122 -0.548 1.00 0.00 C ATOM 754 CD LYS A 899 -25.482 -9.679 0.523 1.00 0.00 C ATOM 755 CE LYS A 899 -26.201 -10.723 1.389 1.00 0.00 C ATOM 756 NZ LYS A 899 -26.995 -10.100 2.484 1.00 0.00 N1+ ATOM 0 H LYS A 899 -26.179 -8.035 -2.964 1.00 0.00 H new ATOM 0 HA LYS A 899 -24.461 -10.143 -2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 899 -27.514 -9.905 -2.236 1.00 0.00 H new ATOM 0 HB3 LYS A 899 -26.596 -11.114 -1.359 1.00 0.00 H new ATOM 0 HG2 LYS A 899 -26.042 -8.164 -0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 899 -27.402 -8.935 -0.111 1.00 0.00 H new ATOM 0 HD2 LYS A 899 -24.610 -10.131 0.049 1.00 0.00 H new ATOM 0 HD3 LYS A 899 -25.118 -8.867 1.152 1.00 0.00 H new ATOM 0 HE2 LYS A 899 -26.860 -11.321 0.760 1.00 0.00 H new ATOM 0 HE3 LYS A 899 -25.466 -11.404 1.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 899 -27.462 -10.844 3.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 899 -26.364 -9.550 3.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 899 -27.715 -9.470 2.076 1.00 0.00 H new ATOM 770 N ARG A 900 -26.013 -10.710 -5.042 1.00 0.00 N ATOM 771 CA ARG A 900 -26.029 -11.554 -6.254 1.00 0.00 C ATOM 772 C ARG A 900 -24.628 -11.895 -6.782 1.00 0.00 C ATOM 773 O ARG A 900 -24.467 -12.926 -7.431 1.00 0.00 O ATOM 774 CB ARG A 900 -26.822 -10.827 -7.355 1.00 0.00 C ATOM 775 CG ARG A 900 -28.341 -10.870 -7.128 1.00 0.00 C ATOM 776 CD ARG A 900 -29.095 -10.055 -8.189 1.00 0.00 C ATOM 777 NE ARG A 900 -28.912 -10.602 -9.550 1.00 0.00 N ATOM 778 CZ ARG A 900 -29.195 -9.999 -10.691 1.00 0.00 C ATOM 779 NH1 ARG A 900 -29.715 -8.805 -10.736 1.00 0.00 N1+ ATOM 780 NH2 ARG A 900 -28.960 -10.593 -11.825 1.00 0.00 N ATOM 0 H ARG A 900 -26.411 -9.785 -5.207 1.00 0.00 H new ATOM 0 HA ARG A 900 -26.498 -12.499 -5.980 1.00 0.00 H new ATOM 0 HB2 ARG A 900 -26.497 -9.788 -7.404 1.00 0.00 H new ATOM 0 HB3 ARG A 900 -26.591 -11.279 -8.320 1.00 0.00 H new ATOM 0 HG2 ARG A 900 -28.684 -11.904 -7.152 1.00 0.00 H new ATOM 0 HG3 ARG A 900 -28.572 -10.480 -6.137 1.00 0.00 H new ATOM 0 HD2 ARG A 900 -30.157 -10.040 -7.945 1.00 0.00 H new ATOM 0 HD3 ARG A 900 -28.748 -9.022 -8.165 1.00 0.00 H new ATOM 0 HE ARG A 900 -28.527 -11.544 -9.615 1.00 0.00 H new ATOM 0 HH11 ARG A 900 -29.917 -8.304 -9.871 1.00 0.00 H new ATOM 0 HH12 ARG A 900 -29.920 -8.372 -11.636 1.00 0.00 H new ATOM 0 HH21 ARG A 900 -28.555 -11.529 -11.836 1.00 0.00 H new ATOM 0 HH22 ARG A 900 -29.181 -10.122 -12.703 1.00 0.00 H new ATOM 794 N PHE A 901 -23.627 -11.054 -6.503 1.00 0.00 N ATOM 795 CA PHE A 901 -22.268 -11.160 -7.063 1.00 0.00 C ATOM 796 C PHE A 901 -21.131 -11.070 -6.021 1.00 0.00 C ATOM 797 O PHE A 901 -19.954 -11.045 -6.377 1.00 0.00 O ATOM 798 CB PHE A 901 -22.085 -10.117 -8.190 1.00 0.00 C ATOM 799 CG PHE A 901 -23.227 -9.921 -9.185 1.00 0.00 C ATOM 800 CD1 PHE A 901 -23.231 -10.572 -10.433 1.00 0.00 C ATOM 801 CD2 PHE A 901 -24.261 -9.012 -8.894 1.00 0.00 C ATOM 802 CE1 PHE A 901 -24.257 -10.337 -11.364 1.00 0.00 C ATOM 803 CE2 PHE A 901 -25.290 -8.769 -9.822 1.00 0.00 C ATOM 804 CZ PHE A 901 -25.291 -9.435 -11.059 1.00 0.00 C ATOM 0 H PHE A 901 -23.737 -10.263 -5.869 1.00 0.00 H new ATOM 0 HA PHE A 901 -22.183 -12.167 -7.471 1.00 0.00 H new ATOM 0 HB2 PHE A 901 -21.882 -9.154 -7.722 1.00 0.00 H new ATOM 0 HB3 PHE A 901 -21.194 -10.391 -8.755 1.00 0.00 H new ATOM 0 HD1 PHE A 901 -22.436 -11.261 -10.678 1.00 0.00 H new ATOM 0 HD2 PHE A 901 -24.265 -8.494 -7.946 1.00 0.00 H new ATOM 0 HE1 PHE A 901 -24.251 -10.850 -12.314 1.00 0.00 H new ATOM 0 HE2 PHE A 901 -26.079 -8.071 -9.584 1.00 0.00 H new ATOM 0 HZ PHE A 901 -26.082 -9.255 -11.772 1.00 0.00 H new ATOM 814 N ALA A 902 -21.478 -11.024 -4.735 1.00 0.00 N ATOM 815 CA ALA A 902 -20.629 -10.767 -3.567 1.00 0.00 C ATOM 816 C ALA A 902 -19.802 -11.979 -3.081 1.00 0.00 C ATOM 817 O ALA A 902 -19.635 -12.216 -1.883 1.00 0.00 O ATOM 818 CB ALA A 902 -21.508 -10.145 -2.466 1.00 0.00 C ATOM 0 H ALA A 902 -22.447 -11.179 -4.457 1.00 0.00 H new ATOM 0 HA ALA A 902 -19.851 -10.063 -3.862 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -20.899 -9.944 -1.585 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -21.940 -9.212 -2.829 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -22.308 -10.838 -2.204 1.00 0.00 H new ATOM 824 N ASP A 903 -19.255 -12.738 -4.028 1.00 0.00 N ATOM 825 CA ASP A 903 -18.173 -13.702 -3.785 1.00 0.00 C ATOM 826 C ASP A 903 -17.233 -13.771 -4.985 1.00 0.00 C ATOM 827 O ASP A 903 -17.688 -13.656 -6.127 1.00 0.00 O ATOM 828 CB ASP A 903 -18.732 -15.111 -3.491 1.00 0.00 C ATOM 829 CG ASP A 903 -17.924 -15.940 -2.471 1.00 0.00 C ATOM 830 OD1 ASP A 903 -16.784 -15.565 -2.108 1.00 0.00 O ATOM 831 OD2 ASP A 903 -18.436 -17.002 -2.043 1.00 0.00 O1- ATOM 0 H ASP A 903 -19.553 -12.703 -5.003 1.00 0.00 H new ATOM 0 HA ASP A 903 -17.620 -13.356 -2.912 1.00 0.00 H new ATOM 0 HB2 ASP A 903 -19.754 -15.010 -3.125 1.00 0.00 H new ATOM 0 HB3 ASP A 903 -18.783 -15.667 -4.427 1.00 0.00 H new ATOM 836 N CYS A 904 -15.964 -14.099 -4.746 1.00 0.00 N ATOM 837 CA CYS A 904 -15.012 -14.504 -5.773 1.00 0.00 C ATOM 838 C CYS A 904 -15.512 -15.744 -6.582 1.00 0.00 C ATOM 839 O CYS A 904 -14.960 -16.056 -7.641 1.00 0.00 O ATOM 840 CB CYS A 904 -13.657 -14.746 -5.070 1.00 0.00 C ATOM 841 SG CYS A 904 -13.044 -13.288 -4.143 1.00 0.00 S ATOM 0 H CYS A 904 -15.562 -14.089 -3.809 1.00 0.00 H new ATOM 0 HA CYS A 904 -14.900 -13.720 -6.522 1.00 0.00 H new ATOM 0 HB2 CYS A 904 -13.758 -15.587 -4.384 1.00 0.00 H new ATOM 0 HB3 CYS A 904 -12.915 -15.031 -5.816 1.00 0.00 H new ATOM 846 N SER A 905 -16.544 -16.446 -6.084 1.00 0.00 N ATOM 847 CA SER A 905 -17.154 -17.624 -6.720 1.00 0.00 C ATOM 848 C SER A 905 -18.379 -17.277 -7.577 1.00 0.00 C ATOM 849 O SER A 905 -18.776 -18.074 -8.432 1.00 0.00 O ATOM 850 CB SER A 905 -17.571 -18.647 -5.658 1.00 0.00 C ATOM 851 OG SER A 905 -16.447 -19.068 -4.898 1.00 0.00 O ATOM 0 H SER A 905 -16.990 -16.201 -5.200 1.00 0.00 H new ATOM 0 HA SER A 905 -16.392 -18.041 -7.379 1.00 0.00 H new ATOM 0 HB2 SER A 905 -18.319 -18.209 -4.998 1.00 0.00 H new ATOM 0 HB3 SER A 905 -18.035 -19.509 -6.138 1.00 0.00 H new ATOM 0 HG SER A 905 -16.733 -19.719 -4.224 1.00 0.00 H new ATOM 857 N LYS A 906 -18.993 -16.104 -7.357 1.00 0.00 N ATOM 858 CA LYS A 906 -20.136 -15.620 -8.147 1.00 0.00 C ATOM 859 C LYS A 906 -19.729 -15.075 -9.525 1.00 0.00 C ATOM 860 O LYS A 906 -18.547 -14.912 -9.834 1.00 0.00 O ATOM 861 CB LYS A 906 -20.883 -14.525 -7.374 1.00 0.00 C ATOM 862 CG LYS A 906 -21.590 -14.890 -6.069 1.00 0.00 C ATOM 863 CD LYS A 906 -22.463 -16.145 -6.160 1.00 0.00 C ATOM 864 CE LYS A 906 -23.594 -16.037 -7.190 1.00 0.00 C ATOM 865 NZ LYS A 906 -24.488 -17.224 -7.150 1.00 0.00 N1+ ATOM 0 H LYS A 906 -18.708 -15.459 -6.620 1.00 0.00 H new ATOM 0 HA LYS A 906 -20.783 -16.481 -8.315 1.00 0.00 H new ATOM 0 HB2 LYS A 906 -20.168 -13.734 -7.150 1.00 0.00 H new ATOM 0 HB3 LYS A 906 -21.629 -14.100 -8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 906 -20.841 -15.038 -5.291 1.00 0.00 H new ATOM 0 HG3 LYS A 906 -22.211 -14.050 -5.758 1.00 0.00 H new ATOM 0 HD2 LYS A 906 -21.833 -16.997 -6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 906 -22.895 -16.348 -5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 906 -24.176 -15.136 -6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 906 -23.169 -15.935 -8.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 906 -25.241 -17.116 -7.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 906 -23.937 -18.081 -7.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 906 -24.913 -17.307 -6.204 1.00 0.00 H new ATOM 879 N SER A 907 -20.740 -14.707 -10.304 1.00 0.00 N ATOM 880 CA SER A 907 -20.668 -14.145 -11.654 1.00 0.00 C ATOM 881 C SER A 907 -20.410 -12.622 -11.686 1.00 0.00 C ATOM 882 O SER A 907 -20.073 -12.011 -10.666 1.00 0.00 O ATOM 883 CB SER A 907 -21.998 -14.510 -12.327 1.00 0.00 C ATOM 884 OG SER A 907 -23.075 -13.838 -11.696 1.00 0.00 O ATOM 0 H SER A 907 -21.705 -14.799 -9.987 1.00 0.00 H new ATOM 0 HA SER A 907 -19.811 -14.562 -12.184 1.00 0.00 H new ATOM 0 HB2 SER A 907 -21.963 -14.242 -13.383 1.00 0.00 H new ATOM 0 HB3 SER A 907 -22.154 -15.588 -12.276 1.00 0.00 H new ATOM 0 HG SER A 907 -23.916 -14.080 -12.138 1.00 0.00 H new ATOM 890 N GLN A 908 -20.581 -12.018 -12.870 1.00 0.00 N ATOM 891 CA GLN A 908 -20.624 -10.575 -13.171 1.00 0.00 C ATOM 892 C GLN A 908 -21.475 -10.344 -14.447 1.00 0.00 C ATOM 893 O GLN A 908 -21.716 -11.294 -15.196 1.00 0.00 O ATOM 894 CB GLN A 908 -19.189 -10.034 -13.328 1.00 0.00 C ATOM 895 CG GLN A 908 -18.504 -10.523 -14.613 1.00 0.00 C ATOM 896 CD GLN A 908 -16.982 -10.636 -14.506 1.00 0.00 C ATOM 897 OE1 GLN A 908 -16.448 -11.590 -13.956 1.00 0.00 O ATOM 898 NE2 GLN A 908 -16.228 -9.710 -15.061 1.00 0.00 N ATOM 0 H GLN A 908 -20.704 -12.572 -13.717 1.00 0.00 H new ATOM 0 HA GLN A 908 -21.092 -10.030 -12.351 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -19.215 -8.944 -13.328 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -18.595 -10.339 -12.467 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -18.912 -11.498 -14.881 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -18.751 -9.840 -15.426 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -16.660 -8.910 -15.523 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -15.212 -9.793 -15.029 1.00 0.00 H new ATOM 907 N GLU A 909 -21.924 -9.114 -14.735 1.00 0.00 N ATOM 908 CA GLU A 909 -22.747 -8.835 -15.935 1.00 0.00 C ATOM 909 C GLU A 909 -21.980 -8.985 -17.262 1.00 0.00 C ATOM 910 O GLU A 909 -22.586 -9.349 -18.273 1.00 0.00 O ATOM 911 CB GLU A 909 -23.383 -7.430 -15.910 1.00 0.00 C ATOM 912 CG GLU A 909 -24.283 -7.125 -14.699 1.00 0.00 C ATOM 913 CD GLU A 909 -23.532 -6.559 -13.479 1.00 0.00 C ATOM 914 OE1 GLU A 909 -24.186 -6.152 -12.491 1.00 0.00 O ATOM 915 OE2 GLU A 909 -22.281 -6.550 -13.461 1.00 0.00 O1- ATOM 0 H GLU A 909 -21.735 -8.294 -14.159 1.00 0.00 H new ATOM 0 HA GLU A 909 -23.527 -9.595 -15.892 1.00 0.00 H new ATOM 0 HB2 GLU A 909 -22.584 -6.689 -15.941 1.00 0.00 H new ATOM 0 HB3 GLU A 909 -23.972 -7.302 -16.818 1.00 0.00 H new ATOM 0 HG2 GLU A 909 -25.050 -6.412 -15.001 1.00 0.00 H new ATOM 0 HG3 GLU A 909 -24.796 -8.040 -14.403 1.00 0.00 H new ATOM 922 N MET A 910 -20.663 -8.730 -17.275 1.00 0.00 N ATOM 923 CA MET A 910 -19.802 -8.921 -18.455 1.00 0.00 C ATOM 924 C MET A 910 -18.411 -9.394 -18.045 1.00 0.00 C ATOM 925 O MET A 910 -17.744 -8.738 -17.241 1.00 0.00 O ATOM 926 CB MET A 910 -19.628 -7.635 -19.275 1.00 0.00 C ATOM 927 CG MET A 910 -20.918 -7.043 -19.843 1.00 0.00 C ATOM 928 SD MET A 910 -20.629 -5.570 -20.861 1.00 0.00 S ATOM 929 CE MET A 910 -22.343 -5.149 -21.275 1.00 0.00 C ATOM 0 H MET A 910 -20.159 -8.382 -16.459 1.00 0.00 H new ATOM 0 HA MET A 910 -20.305 -9.671 -19.066 1.00 0.00 H new ATOM 0 HB2 MET A 910 -19.149 -6.884 -18.646 1.00 0.00 H new ATOM 0 HB3 MET A 910 -18.947 -7.840 -20.101 1.00 0.00 H new ATOM 0 HG2 MET A 910 -21.426 -7.799 -20.442 1.00 0.00 H new ATOM 0 HG3 MET A 910 -21.586 -6.785 -19.021 1.00 0.00 H new ATOM 0 HE1 MET A 910 -22.357 -4.258 -21.903 1.00 0.00 H new ATOM 0 HE2 MET A 910 -22.802 -5.979 -21.812 1.00 0.00 H new ATOM 0 HE3 MET A 910 -22.902 -4.956 -20.359 1.00 0.00 H new ATOM 939 N SER A 911 -17.964 -10.510 -18.618 1.00 0.00 N ATOM 940 CA SER A 911 -16.642 -11.096 -18.340 1.00 0.00 C ATOM 941 C SER A 911 -15.525 -10.144 -18.753 1.00 0.00 C ATOM 942 O SER A 911 -15.739 -9.225 -19.544 1.00 0.00 O ATOM 943 CB SER A 911 -16.448 -12.450 -19.024 1.00 0.00 C ATOM 944 OG SER A 911 -17.595 -13.277 -18.866 1.00 0.00 O ATOM 0 H SER A 911 -18.510 -11.042 -19.295 1.00 0.00 H new ATOM 0 HA SER A 911 -16.597 -11.259 -17.263 1.00 0.00 H new ATOM 0 HB2 SER A 911 -16.249 -12.299 -20.085 1.00 0.00 H new ATOM 0 HB3 SER A 911 -15.575 -12.950 -18.604 1.00 0.00 H new ATOM 0 HG SER A 911 -17.444 -14.135 -19.314 1.00 0.00 H new ATOM 950 N ASN A 912 -14.328 -10.343 -18.205 1.00 0.00 N ATOM 951 CA ASN A 912 -13.242 -9.354 -18.244 1.00 0.00 C ATOM 952 C ASN A 912 -12.846 -8.939 -19.677 1.00 0.00 C ATOM 953 O ASN A 912 -12.449 -7.793 -19.890 1.00 0.00 O ATOM 954 CB ASN A 912 -12.035 -9.896 -17.448 1.00 0.00 C ATOM 955 CG ASN A 912 -12.231 -9.883 -15.936 1.00 0.00 C ATOM 956 OD1 ASN A 912 -13.322 -10.055 -15.407 1.00 0.00 O ATOM 957 ND2 ASN A 912 -11.181 -9.608 -15.195 1.00 0.00 N ATOM 0 H ASN A 912 -14.078 -11.202 -17.716 1.00 0.00 H new ATOM 0 HA ASN A 912 -13.604 -8.439 -17.776 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -11.831 -10.918 -17.769 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -11.155 -9.303 -17.695 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -11.276 -9.538 -14.182 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -10.271 -9.464 -15.633 1.00 0.00 H new ATOM 964 N GLU A 913 -13.004 -9.839 -20.650 1.00 0.00 N ATOM 965 CA GLU A 913 -12.755 -9.623 -22.085 1.00 0.00 C ATOM 966 C GLU A 913 -13.960 -9.052 -22.883 1.00 0.00 C ATOM 967 O GLU A 913 -13.830 -8.757 -24.073 1.00 0.00 O ATOM 968 CB GLU A 913 -12.210 -10.923 -22.709 1.00 0.00 C ATOM 969 CG GLU A 913 -13.185 -12.114 -22.735 1.00 0.00 C ATOM 970 CD GLU A 913 -13.019 -13.062 -21.527 1.00 0.00 C ATOM 971 OE1 GLU A 913 -12.542 -14.209 -21.713 1.00 0.00 O ATOM 972 OE2 GLU A 913 -13.372 -12.675 -20.386 1.00 0.00 O1- ATOM 0 H GLU A 913 -13.325 -10.787 -20.453 1.00 0.00 H new ATOM 0 HA GLU A 913 -12.006 -8.834 -22.156 1.00 0.00 H new ATOM 0 HB2 GLU A 913 -11.899 -10.710 -23.732 1.00 0.00 H new ATOM 0 HB3 GLU A 913 -11.317 -11.221 -22.160 1.00 0.00 H new ATOM 0 HG2 GLU A 913 -14.208 -11.738 -22.756 1.00 0.00 H new ATOM 0 HG3 GLU A 913 -13.035 -12.679 -23.655 1.00 0.00 H new ATOM 979 N GLU A 914 -15.129 -8.877 -22.254 1.00 0.00 N ATOM 980 CA GLU A 914 -16.295 -8.150 -22.781 1.00 0.00 C ATOM 981 C GLU A 914 -16.466 -6.751 -22.156 1.00 0.00 C ATOM 982 O GLU A 914 -16.833 -5.821 -22.876 1.00 0.00 O ATOM 983 CB GLU A 914 -17.587 -8.963 -22.573 1.00 0.00 C ATOM 984 CG GLU A 914 -17.878 -9.956 -23.705 1.00 0.00 C ATOM 985 CD GLU A 914 -17.050 -11.257 -23.664 1.00 0.00 C ATOM 986 OE1 GLU A 914 -16.463 -11.636 -24.708 1.00 0.00 O ATOM 987 OE2 GLU A 914 -17.055 -11.957 -22.623 1.00 0.00 O1- ATOM 0 H GLU A 914 -15.297 -9.255 -21.322 1.00 0.00 H new ATOM 0 HA GLU A 914 -16.109 -8.014 -23.846 1.00 0.00 H new ATOM 0 HB2 GLU A 914 -17.515 -9.509 -21.632 1.00 0.00 H new ATOM 0 HB3 GLU A 914 -18.428 -8.275 -22.479 1.00 0.00 H new ATOM 0 HG2 GLU A 914 -18.936 -10.216 -23.676 1.00 0.00 H new ATOM 0 HG3 GLU A 914 -17.698 -9.459 -24.658 1.00 0.00 H new ATOM 994 N ILE A 915 -16.186 -6.558 -20.855 1.00 0.00 N ATOM 995 CA ILE A 915 -16.211 -5.212 -20.247 1.00 0.00 C ATOM 996 C ILE A 915 -15.135 -4.312 -20.878 1.00 0.00 C ATOM 997 O ILE A 915 -15.444 -3.251 -21.414 1.00 0.00 O ATOM 998 CB ILE A 915 -16.179 -5.232 -18.691 1.00 0.00 C ATOM 999 CG1 ILE A 915 -15.847 -3.855 -18.075 1.00 0.00 C ATOM 1000 CG2 ILE A 915 -15.250 -6.274 -18.052 1.00 0.00 C ATOM 1001 CD1 ILE A 915 -16.820 -2.777 -18.528 1.00 0.00 C ATOM 0 H ILE A 915 -15.942 -7.308 -20.208 1.00 0.00 H new ATOM 0 HA ILE A 915 -17.178 -4.767 -20.480 1.00 0.00 H new ATOM 0 HB ILE A 915 -17.203 -5.521 -18.454 1.00 0.00 H new ATOM 0 HG12 ILE A 915 -15.869 -3.930 -16.988 1.00 0.00 H new ATOM 0 HG13 ILE A 915 -14.833 -3.568 -18.354 1.00 0.00 H new ATOM 0 HG21 ILE A 915 -15.309 -6.197 -16.966 1.00 0.00 H new ATOM 0 HG22 ILE A 915 -15.556 -7.273 -18.362 1.00 0.00 H new ATOM 0 HG23 ILE A 915 -14.224 -6.093 -18.374 1.00 0.00 H new ATOM 0 HD11 ILE A 915 -16.548 -1.826 -18.070 1.00 0.00 H new ATOM 0 HD12 ILE A 915 -16.779 -2.682 -19.613 1.00 0.00 H new ATOM 0 HD13 ILE A 915 -17.831 -3.049 -18.226 1.00 0.00 H new ATOM 1013 N ASN A 916 -13.873 -4.732 -20.870 1.00 0.00 N ATOM 1014 CA ASN A 916 -12.750 -3.942 -21.403 1.00 0.00 C ATOM 1015 C ASN A 916 -12.962 -3.476 -22.868 1.00 0.00 C ATOM 1016 O ASN A 916 -12.536 -2.383 -23.238 1.00 0.00 O ATOM 1017 CB ASN A 916 -11.429 -4.723 -21.200 1.00 0.00 C ATOM 1018 CG ASN A 916 -11.246 -5.956 -22.083 1.00 0.00 C ATOM 1019 OD1 ASN A 916 -12.152 -6.443 -22.737 1.00 0.00 O ATOM 1020 ND2 ASN A 916 -10.056 -6.512 -22.135 1.00 0.00 N ATOM 0 H ASN A 916 -13.591 -5.636 -20.492 1.00 0.00 H new ATOM 0 HA ASN A 916 -12.693 -3.012 -20.837 1.00 0.00 H new ATOM 0 HB2 ASN A 916 -10.596 -4.044 -21.379 1.00 0.00 H new ATOM 0 HB3 ASN A 916 -11.369 -5.034 -20.157 1.00 0.00 H new ATOM 0 HD21 ASN A 916 -9.903 -7.337 -22.716 1.00 0.00 H new ATOM 0 HD22 ASN A 916 -9.285 -6.119 -21.595 1.00 0.00 H new ATOM 1027 N GLU A 917 -13.703 -4.240 -23.672 1.00 0.00 N ATOM 1028 CA GLU A 917 -14.157 -3.882 -25.021 1.00 0.00 C ATOM 1029 C GLU A 917 -15.161 -2.712 -25.062 1.00 0.00 C ATOM 1030 O GLU A 917 -15.112 -1.901 -25.989 1.00 0.00 O ATOM 1031 CB GLU A 917 -14.779 -5.119 -25.681 1.00 0.00 C ATOM 1032 CG GLU A 917 -13.741 -5.925 -26.480 1.00 0.00 C ATOM 1033 CD GLU A 917 -14.330 -7.109 -27.287 1.00 0.00 C ATOM 1034 OE1 GLU A 917 -13.541 -7.815 -27.965 1.00 0.00 O ATOM 1035 OE2 GLU A 917 -15.567 -7.331 -27.305 1.00 0.00 O1- ATOM 0 H GLU A 917 -14.019 -5.168 -23.390 1.00 0.00 H new ATOM 0 HA GLU A 917 -13.277 -3.538 -25.565 1.00 0.00 H new ATOM 0 HB2 GLU A 917 -15.222 -5.756 -24.915 1.00 0.00 H new ATOM 0 HB3 GLU A 917 -15.587 -4.809 -26.344 1.00 0.00 H new ATOM 0 HG2 GLU A 917 -13.228 -5.252 -27.168 1.00 0.00 H new ATOM 0 HG3 GLU A 917 -12.989 -6.310 -25.791 1.00 0.00 H new ATOM 1042 N GLU A 918 -16.045 -2.581 -24.067 1.00 0.00 N ATOM 1043 CA GLU A 918 -16.961 -1.428 -23.933 1.00 0.00 C ATOM 1044 C GLU A 918 -16.205 -0.116 -23.658 1.00 0.00 C ATOM 1045 O GLU A 918 -16.575 0.940 -24.176 1.00 0.00 O ATOM 1046 CB GLU A 918 -18.008 -1.670 -22.821 1.00 0.00 C ATOM 1047 CG GLU A 918 -19.199 -0.686 -22.857 1.00 0.00 C ATOM 1048 CD GLU A 918 -19.978 -0.686 -24.193 1.00 0.00 C ATOM 1049 OE1 GLU A 918 -20.225 -1.771 -24.776 1.00 0.00 O ATOM 1050 OE2 GLU A 918 -20.377 0.407 -24.665 1.00 0.00 O1- ATOM 0 H GLU A 918 -16.151 -3.272 -23.325 1.00 0.00 H new ATOM 0 HA GLU A 918 -17.475 -1.329 -24.889 1.00 0.00 H new ATOM 0 HB2 GLU A 918 -18.388 -2.688 -22.909 1.00 0.00 H new ATOM 0 HB3 GLU A 918 -17.517 -1.595 -21.851 1.00 0.00 H new ATOM 0 HG2 GLU A 918 -19.886 -0.934 -22.048 1.00 0.00 H new ATOM 0 HG3 GLU A 918 -18.830 0.321 -22.664 1.00 0.00 H new ATOM 1057 N LEU A 919 -15.126 -0.179 -22.865 1.00 0.00 N ATOM 1058 CA LEU A 919 -14.235 0.957 -22.595 1.00 0.00 C ATOM 1059 C LEU A 919 -13.255 1.223 -23.756 1.00 0.00 C ATOM 1060 O LEU A 919 -12.845 2.363 -23.976 1.00 0.00 O ATOM 1061 CB LEU A 919 -13.470 0.669 -21.296 1.00 0.00 C ATOM 1062 CG LEU A 919 -14.379 0.618 -20.050 1.00 0.00 C ATOM 1063 CD1 LEU A 919 -14.138 -0.679 -19.285 1.00 0.00 C ATOM 1064 CD2 LEU A 919 -14.119 1.801 -19.134 1.00 0.00 C ATOM 0 H LEU A 919 -14.844 -1.034 -22.386 1.00 0.00 H new ATOM 0 HA LEU A 919 -14.838 1.859 -22.492 1.00 0.00 H new ATOM 0 HB2 LEU A 919 -12.946 -0.282 -21.394 1.00 0.00 H new ATOM 0 HB3 LEU A 919 -12.711 1.438 -21.152 1.00 0.00 H new ATOM 0 HG LEU A 919 -15.415 0.661 -20.386 1.00 0.00 H new ATOM 0 HD11 LEU A 919 -14.783 -0.709 -18.407 1.00 0.00 H new ATOM 0 HD12 LEU A 919 -14.363 -1.529 -19.929 1.00 0.00 H new ATOM 0 HD13 LEU A 919 -13.095 -0.728 -18.971 1.00 0.00 H new ATOM 0 HD21 LEU A 919 -14.774 1.739 -18.265 1.00 0.00 H new ATOM 0 HD22 LEU A 919 -13.079 1.786 -18.807 1.00 0.00 H new ATOM 0 HD23 LEU A 919 -14.317 2.728 -19.672 1.00 0.00 H new ATOM 1076 N GLY A 920 -12.898 0.174 -24.504 1.00 0.00 N ATOM 1077 CA GLY A 920 -12.006 0.218 -25.672 1.00 0.00 C ATOM 1078 C GLY A 920 -10.527 0.008 -25.322 1.00 0.00 C ATOM 1079 O GLY A 920 -9.655 0.668 -25.894 1.00 0.00 O ATOM 0 H GLY A 920 -13.235 -0.768 -24.306 1.00 0.00 H new ATOM 0 HA2 GLY A 920 -12.315 -0.548 -26.384 1.00 0.00 H new ATOM 0 HA3 GLY A 920 -12.120 1.181 -26.170 1.00 0.00 H new ATOM 1083 N ILE A 921 -10.252 -0.868 -24.351 1.00 0.00 N ATOM 1084 CA ILE A 921 -8.945 -1.057 -23.692 1.00 0.00 C ATOM 1085 C ILE A 921 -8.588 -2.544 -23.512 1.00 0.00 C ATOM 1086 O ILE A 921 -9.417 -3.433 -23.717 1.00 0.00 O ATOM 1087 CB ILE A 921 -8.923 -0.316 -22.331 1.00 0.00 C ATOM 1088 CG1 ILE A 921 -9.931 -0.945 -21.347 1.00 0.00 C ATOM 1089 CG2 ILE A 921 -9.132 1.196 -22.517 1.00 0.00 C ATOM 1090 CD1 ILE A 921 -9.968 -0.289 -19.968 1.00 0.00 C ATOM 0 H ILE A 921 -10.965 -1.497 -23.982 1.00 0.00 H new ATOM 0 HA ILE A 921 -8.184 -0.629 -24.345 1.00 0.00 H new ATOM 0 HB ILE A 921 -7.935 -0.436 -21.887 1.00 0.00 H new ATOM 0 HG12 ILE A 921 -10.927 -0.894 -21.786 1.00 0.00 H new ATOM 0 HG13 ILE A 921 -9.690 -2.001 -21.226 1.00 0.00 H new ATOM 0 HG21 ILE A 921 -9.112 1.688 -21.545 1.00 0.00 H new ATOM 0 HG22 ILE A 921 -8.337 1.599 -23.145 1.00 0.00 H new ATOM 0 HG23 ILE A 921 -10.096 1.374 -22.994 1.00 0.00 H new ATOM 0 HD11 ILE A 921 -10.704 -0.796 -19.344 1.00 0.00 H new ATOM 0 HD12 ILE A 921 -8.985 -0.363 -19.503 1.00 0.00 H new ATOM 0 HD13 ILE A 921 -10.242 0.761 -20.072 1.00 0.00 H new ATOM 1102 N GLY A 922 -7.349 -2.807 -23.089 1.00 0.00 N ATOM 1103 CA GLY A 922 -6.836 -4.159 -22.811 1.00 0.00 C ATOM 1104 C GLY A 922 -7.024 -4.633 -21.361 1.00 0.00 C ATOM 1105 O GLY A 922 -7.294 -5.812 -21.136 1.00 0.00 O ATOM 0 H GLY A 922 -6.658 -2.075 -22.926 1.00 0.00 H new ATOM 0 HA2 GLY A 922 -7.333 -4.865 -23.477 1.00 0.00 H new ATOM 0 HA3 GLY A 922 -5.773 -4.186 -23.053 1.00 0.00 H new ATOM 1109 N GLN A 923 -6.965 -3.703 -20.399 1.00 0.00 N ATOM 1110 CA GLN A 923 -6.760 -3.921 -18.953 1.00 0.00 C ATOM 1111 C GLN A 923 -5.394 -4.495 -18.550 1.00 0.00 C ATOM 1112 O GLN A 923 -4.681 -5.144 -19.316 1.00 0.00 O ATOM 1113 CB GLN A 923 -7.901 -4.705 -18.272 1.00 0.00 C ATOM 1114 CG GLN A 923 -8.850 -3.812 -17.470 1.00 0.00 C ATOM 1115 CD GLN A 923 -8.245 -3.007 -16.321 1.00 0.00 C ATOM 1116 OE1 GLN A 923 -7.257 -3.376 -15.710 1.00 0.00 O ATOM 1117 NE2 GLN A 923 -8.835 -1.886 -15.959 1.00 0.00 N ATOM 0 H GLN A 923 -7.065 -2.712 -20.620 1.00 0.00 H new ATOM 0 HA GLN A 923 -6.776 -2.901 -18.570 1.00 0.00 H new ATOM 0 HB2 GLN A 923 -8.471 -5.239 -19.032 1.00 0.00 H new ATOM 0 HB3 GLN A 923 -7.472 -5.456 -17.609 1.00 0.00 H new ATOM 0 HG2 GLN A 923 -9.321 -3.113 -18.161 1.00 0.00 H new ATOM 0 HG3 GLN A 923 -9.642 -4.440 -17.062 1.00 0.00 H new ATOM 0 HE21 GLN A 923 -9.663 -1.561 -16.458 1.00 0.00 H new ATOM 0 HE22 GLN A 923 -8.464 -1.343 -15.179 1.00 0.00 H new ATOM 1126 N ASP A 924 -5.061 -4.251 -17.283 1.00 0.00 N ATOM 1127 CA ASP A 924 -3.724 -4.509 -16.716 1.00 0.00 C ATOM 1128 C ASP A 924 -3.367 -6.001 -16.665 1.00 0.00 C ATOM 1129 O ASP A 924 -2.212 -6.368 -16.870 1.00 0.00 O ATOM 1130 CB ASP A 924 -3.588 -3.943 -15.288 1.00 0.00 C ATOM 1131 CG ASP A 924 -3.347 -2.427 -15.180 1.00 0.00 C ATOM 1132 OD1 ASP A 924 -2.735 -2.023 -14.162 1.00 0.00 O ATOM 1133 OD2 ASP A 924 -3.784 -1.642 -16.055 1.00 0.00 O1- ATOM 0 H ASP A 924 -5.717 -3.863 -16.606 1.00 0.00 H new ATOM 0 HA ASP A 924 -3.035 -4.003 -17.392 1.00 0.00 H new ATOM 0 HB2 ASP A 924 -4.495 -4.186 -14.735 1.00 0.00 H new ATOM 0 HB3 ASP A 924 -2.765 -4.457 -14.792 1.00 0.00 H new ATOM 1138 N GLU A 925 -4.344 -6.868 -16.387 1.00 0.00 N ATOM 1139 CA GLU A 925 -4.126 -8.308 -16.232 1.00 0.00 C ATOM 1140 C GLU A 925 -3.764 -8.993 -17.561 1.00 0.00 C ATOM 1141 O GLU A 925 -2.964 -9.930 -17.597 1.00 0.00 O ATOM 1142 CB GLU A 925 -5.412 -8.905 -15.638 1.00 0.00 C ATOM 1143 CG GLU A 925 -5.172 -10.180 -14.824 1.00 0.00 C ATOM 1144 CD GLU A 925 -4.203 -9.989 -13.637 1.00 0.00 C ATOM 1145 OE1 GLU A 925 -4.304 -8.976 -12.901 1.00 0.00 O ATOM 1146 OE2 GLU A 925 -3.318 -10.851 -13.424 1.00 0.00 O1- ATOM 0 H GLU A 925 -5.317 -6.588 -16.262 1.00 0.00 H new ATOM 0 HA GLU A 925 -3.276 -8.477 -15.571 1.00 0.00 H new ATOM 0 HB2 GLU A 925 -5.889 -8.160 -15.001 1.00 0.00 H new ATOM 0 HB3 GLU A 925 -6.109 -9.125 -16.447 1.00 0.00 H new ATOM 0 HG2 GLU A 925 -6.127 -10.544 -14.446 1.00 0.00 H new ATOM 0 HG3 GLU A 925 -4.776 -10.952 -15.484 1.00 0.00 H new ATOM 1153 N ALA A 926 -4.337 -8.492 -18.660 1.00 0.00 N ATOM 1154 CA ALA A 926 -4.020 -8.901 -20.030 1.00 0.00 C ATOM 1155 C ALA A 926 -2.712 -8.269 -20.550 1.00 0.00 C ATOM 1156 O ALA A 926 -1.897 -8.947 -21.177 1.00 0.00 O ATOM 1157 CB ALA A 926 -5.194 -8.502 -20.926 1.00 0.00 C ATOM 0 H ALA A 926 -5.055 -7.769 -18.618 1.00 0.00 H new ATOM 0 HA ALA A 926 -3.865 -9.980 -20.045 1.00 0.00 H new ATOM 0 HB1 ALA A 926 -4.983 -8.796 -21.954 1.00 0.00 H new ATOM 0 HB2 ALA A 926 -6.100 -9.003 -20.584 1.00 0.00 H new ATOM 0 HB3 ALA A 926 -5.337 -7.422 -20.879 1.00 0.00 H new ATOM 1163 N ASP A 927 -2.498 -6.978 -20.269 1.00 0.00 N ATOM 1164 CA ASP A 927 -1.312 -6.204 -20.682 1.00 0.00 C ATOM 1165 C ASP A 927 -0.036 -6.473 -19.843 1.00 0.00 C ATOM 1166 O ASP A 927 0.984 -5.798 -20.020 1.00 0.00 O ATOM 1167 CB ASP A 927 -1.658 -4.700 -20.728 1.00 0.00 C ATOM 1168 CG ASP A 927 -2.741 -4.294 -21.754 1.00 0.00 C ATOM 1169 OD1 ASP A 927 -3.038 -5.057 -22.706 1.00 0.00 O ATOM 1170 OD2 ASP A 927 -3.252 -3.152 -21.654 1.00 0.00 O1- ATOM 0 H ASP A 927 -3.164 -6.422 -19.732 1.00 0.00 H new ATOM 0 HA ASP A 927 -1.053 -6.553 -21.682 1.00 0.00 H new ATOM 0 HB2 ASP A 927 -1.989 -4.391 -19.736 1.00 0.00 H new ATOM 0 HB3 ASP A 927 -0.747 -4.143 -20.948 1.00 0.00 H new ATOM 1175 N ALA A 928 -0.080 -7.458 -18.937 1.00 0.00 N ATOM 1176 CA ALA A 928 1.021 -7.881 -18.060 1.00 0.00 C ATOM 1177 C ALA A 928 2.247 -8.447 -18.823 1.00 0.00 C ATOM 1178 O ALA A 928 3.389 -8.051 -18.491 1.00 0.00 O ATOM 1179 CB ALA A 928 0.464 -8.885 -17.038 1.00 0.00 C ATOM 1180 OXT ALA A 928 2.076 -9.305 -19.723 1.00 0.00 O ATOM 0 H ALA A 928 -0.925 -8.009 -18.788 1.00 0.00 H new ATOM 0 HA ALA A 928 1.408 -7.000 -17.549 1.00 0.00 H new ATOM 0 HB1 ALA A 928 1.265 -9.213 -16.376 1.00 0.00 H new ATOM 0 HB2 ALA A 928 -0.320 -8.408 -16.450 1.00 0.00 H new ATOM 0 HB3 ALA A 928 0.051 -9.747 -17.562 1.00 0.00 H new TER 1186 ALA A 928 ATOM 1187 N ALA B 1 -7.571 -1.623 -5.901 1.00 0.00 N ATOM 1188 CA ALA B 1 -7.061 -2.245 -7.143 1.00 0.00 C ATOM 1189 C ALA B 1 -7.399 -1.384 -8.358 1.00 0.00 C ATOM 1190 O ALA B 1 -8.410 -0.681 -8.355 1.00 0.00 O ATOM 1191 CB ALA B 1 -7.620 -3.664 -7.350 1.00 0.00 C ATOM 0 H1 ALA B 1 -7.149 -2.097 -5.077 1.00 0.00 H new ATOM 0 H2 ALA B 1 -7.317 -0.615 -5.888 1.00 0.00 H new ATOM 0 H3 ALA B 1 -8.606 -1.720 -5.864 1.00 0.00 H new ATOM 0 HA ALA B 1 -5.979 -2.318 -7.037 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -7.219 -4.082 -8.273 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -7.330 -4.295 -6.510 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -8.707 -3.621 -7.413 1.00 0.00 H new ATOM 1199 N ARG B 2 -6.568 -1.477 -9.409 1.00 0.00 N ATOM 1200 CA ARG B 2 -6.723 -0.828 -10.729 1.00 0.00 C ATOM 1201 C ARG B 2 -8.170 -0.855 -11.208 1.00 0.00 C ATOM 1202 O ARG B 2 -8.773 -1.921 -11.213 1.00 0.00 O ATOM 1203 CB ARG B 2 -5.820 -1.586 -11.735 1.00 0.00 C ATOM 1204 CG ARG B 2 -6.122 -1.341 -13.223 1.00 0.00 C ATOM 1205 CD ARG B 2 -5.772 0.088 -13.664 1.00 0.00 C ATOM 1206 NE ARG B 2 -6.802 0.663 -14.549 1.00 0.00 N ATOM 1207 CZ ARG B 2 -6.726 0.857 -15.852 1.00 0.00 C ATOM 1208 NH1 ARG B 2 -5.799 0.335 -16.602 1.00 0.00 N1+ ATOM 1209 NH2 ARG B 2 -7.631 1.598 -16.422 1.00 0.00 N ATOM 0 H ARG B 2 -5.719 -2.040 -9.361 1.00 0.00 H new ATOM 0 HA ARG B 2 -6.433 0.220 -10.650 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -4.783 -1.309 -11.544 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -5.906 -2.655 -11.538 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -5.559 -2.053 -13.827 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -7.179 -1.528 -13.412 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -5.657 0.721 -12.784 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -4.812 0.083 -14.181 1.00 0.00 H new ATOM 0 HE ARG B 2 -7.675 0.943 -14.102 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -5.081 -0.259 -16.187 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -5.790 0.520 -17.605 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -8.376 2.013 -15.863 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -7.595 1.764 -17.428 1.00 0.00 H new ATOM 1223 N THR B 3 -8.701 0.266 -11.700 1.00 0.00 N ATOM 1224 CA THR B 3 -10.026 0.280 -12.343 1.00 0.00 C ATOM 1225 C THR B 3 -10.212 1.408 -13.373 1.00 0.00 C ATOM 1226 O THR B 3 -9.231 2.007 -13.823 1.00 0.00 O ATOM 1227 CB THR B 3 -11.128 0.244 -11.254 1.00 0.00 C ATOM 1228 OG1 THR B 3 -12.376 -0.054 -11.841 1.00 0.00 O ATOM 1229 CG2 THR B 3 -11.293 1.554 -10.486 1.00 0.00 C ATOM 0 H THR B 3 -8.240 1.175 -11.668 1.00 0.00 H new ATOM 0 HA THR B 3 -10.113 -0.622 -12.948 1.00 0.00 H new ATOM 0 HB THR B 3 -10.806 -0.522 -10.549 1.00 0.00 H new ATOM 0 HG1 THR B 3 -13.086 0.415 -11.355 1.00 0.00 H new ATOM 0 HG21 THR B 3 -12.084 1.444 -9.744 1.00 0.00 H new ATOM 0 HG22 THR B 3 -10.357 1.803 -9.985 1.00 0.00 H new ATOM 0 HG23 THR B 3 -11.556 2.352 -11.180 1.00 0.00 H new HETATM 1237 N MLZ B 4 -11.447 1.585 -13.855 1.00 0.00 N HETATM 1238 CA MLZ B 4 -11.849 2.322 -15.051 1.00 0.00 C HETATM 1239 CB MLZ B 4 -11.455 1.435 -16.262 1.00 0.00 C HETATM 1240 CG MLZ B 4 -12.331 0.205 -16.544 1.00 0.00 C HETATM 1241 CD MLZ B 4 -12.503 -0.834 -15.426 1.00 0.00 C HETATM 1242 CE MLZ B 4 -13.096 -2.167 -15.947 1.00 0.00 C HETATM 1243 NZ MLZ B 4 -12.032 -3.038 -16.527 1.00 0.00 N HETATM 1244 CM MLZ B 4 -12.628 -4.252 -17.140 1.00 0.00 C HETATM 1245 C MLZ B 4 -13.356 2.702 -15.003 1.00 0.00 C HETATM 1246 O MLZ B 4 -14.094 2.231 -14.134 1.00 0.00 O HETATM 0 HCM3 MLZ B 4 -13.170 -4.815 -16.380 1.00 0.00 H new HETATM 0 HCM2 MLZ B 4 -13.316 -3.959 -17.933 1.00 0.00 H new HETATM 0 HCM1 MLZ B 4 -11.837 -4.875 -17.558 1.00 0.00 H new HETATM 0 HZ MLZ B 4 -11.034 -2.828 -16.505 1.00 0.00 H new HETATM 0 HG3 MLZ B 4 -13.323 0.560 -16.825 1.00 0.00 H new HETATM 0 HG2 MLZ B 4 -11.917 -0.306 -17.413 1.00 0.00 H new HETATM 0 HE3 MLZ B 4 -13.594 -2.691 -15.131 1.00 0.00 H new HETATM 0 HE2 MLZ B 4 -13.854 -1.961 -16.703 1.00 0.00 H new HETATM 0 HD3 MLZ B 4 -11.536 -1.027 -14.960 1.00 0.00 H new HETATM 0 HD2 MLZ B 4 -13.154 -0.427 -14.652 1.00 0.00 H new HETATM 0 HB3 MLZ B 4 -11.455 2.061 -17.154 1.00 0.00 H new HETATM 0 HB2 MLZ B 4 -10.431 1.093 -16.112 1.00 0.00 H new HETATM 0 HA MLZ B 4 -11.340 3.283 -15.131 1.00 0.00 H new ATOM 1262 N GLN B 5 -13.826 3.509 -15.959 1.00 0.00 N ATOM 1263 CA GLN B 5 -15.182 4.075 -15.971 1.00 0.00 C ATOM 1264 C GLN B 5 -15.808 4.068 -17.372 1.00 0.00 C ATOM 1265 O GLN B 5 -15.388 4.805 -18.264 1.00 0.00 O ATOM 1266 CB GLN B 5 -15.129 5.487 -15.367 1.00 0.00 C ATOM 1267 CG GLN B 5 -16.510 6.155 -15.295 1.00 0.00 C ATOM 1268 CD GLN B 5 -16.510 7.400 -14.409 1.00 0.00 C ATOM 1269 OE1 GLN B 5 -15.685 8.293 -14.525 1.00 0.00 O ATOM 1270 NE2 GLN B 5 -17.457 7.543 -13.516 1.00 0.00 N ATOM 0 H GLN B 5 -13.265 3.794 -16.762 1.00 0.00 H new ATOM 0 HA GLN B 5 -15.834 3.447 -15.364 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -14.704 5.433 -14.365 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -14.461 6.108 -15.964 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -16.831 6.428 -16.300 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -17.237 5.439 -14.911 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -18.160 6.814 -13.397 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -17.492 8.384 -12.940 1.00 0.00 H new ATOM 1279 N THR B 6 -16.832 3.232 -17.548 1.00 0.00 N ATOM 1280 CA THR B 6 -17.625 3.135 -18.784 1.00 0.00 C ATOM 1281 C THR B 6 -18.377 4.438 -19.077 1.00 0.00 C ATOM 1282 O THR B 6 -19.088 4.962 -18.221 1.00 0.00 O ATOM 1283 CB THR B 6 -18.632 1.968 -18.741 1.00 0.00 C ATOM 1284 OG1 THR B 6 -19.152 1.745 -17.443 1.00 0.00 O ATOM 1285 CG2 THR B 6 -18.007 0.656 -19.198 1.00 0.00 C ATOM 0 H THR B 6 -17.144 2.587 -16.822 1.00 0.00 H new ATOM 0 HA THR B 6 -16.909 2.947 -19.584 1.00 0.00 H new ATOM 0 HB THR B 6 -19.432 2.269 -19.418 1.00 0.00 H new ATOM 0 HG1 THR B 6 -19.961 2.283 -17.318 1.00 0.00 H new ATOM 0 HG21 THR B 6 -18.752 -0.138 -19.151 1.00 0.00 H new ATOM 0 HG22 THR B 6 -17.651 0.760 -20.223 1.00 0.00 H new ATOM 0 HG23 THR B 6 -17.169 0.406 -18.547 1.00 0.00 H new ATOM 1293 N ALA B 7 -18.283 4.919 -20.319 1.00 0.00 N ATOM 1294 CA ALA B 7 -19.051 6.063 -20.835 1.00 0.00 C ATOM 1295 C ALA B 7 -20.509 5.709 -21.219 1.00 0.00 C ATOM 1296 O ALA B 7 -21.222 6.532 -21.803 1.00 0.00 O ATOM 1297 CB ALA B 7 -18.269 6.665 -22.012 1.00 0.00 C ATOM 0 H ALA B 7 -17.655 4.516 -21.014 1.00 0.00 H new ATOM 0 HA ALA B 7 -19.159 6.800 -20.039 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -18.817 7.517 -22.415 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -17.289 6.994 -21.667 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -18.146 5.912 -22.790 1.00 0.00 H new ATOM 1303 N ARG B 8 -20.949 4.479 -20.911 1.00 0.00 N ATOM 1304 CA ARG B 8 -22.282 3.930 -21.163 1.00 0.00 C ATOM 1305 C ARG B 8 -22.618 2.870 -20.111 1.00 0.00 C ATOM 1306 O ARG B 8 -21.915 1.862 -20.003 1.00 0.00 O ATOM 1307 CB ARG B 8 -22.344 3.338 -22.591 1.00 0.00 C ATOM 1308 CG ARG B 8 -23.782 3.306 -23.150 1.00 0.00 C ATOM 1309 CD ARG B 8 -24.163 4.566 -23.953 1.00 0.00 C ATOM 1310 NE ARG B 8 -23.814 5.819 -23.255 1.00 0.00 N ATOM 1311 CZ ARG B 8 -24.514 6.476 -22.350 1.00 0.00 C ATOM 1312 NH1 ARG B 8 -25.744 6.182 -22.043 1.00 0.00 N1+ ATOM 1313 NH2 ARG B 8 -23.944 7.436 -21.693 1.00 0.00 N ATOM 0 H ARG B 8 -20.341 3.802 -20.450 1.00 0.00 H new ATOM 0 HA ARG B 8 -23.023 4.726 -21.091 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -21.712 3.928 -23.254 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -21.938 2.326 -22.580 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -23.894 2.431 -23.790 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -24.482 3.188 -22.322 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -23.659 4.541 -24.919 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -25.235 4.553 -24.153 1.00 0.00 H new ATOM 0 HE ARG B 8 -22.915 6.230 -23.505 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -26.215 5.408 -22.511 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -26.237 6.725 -21.334 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -22.970 7.673 -21.879 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -24.470 7.955 -20.990 1.00 0.00 H new ATOM 1327 N TYR B 9 -23.675 3.108 -19.337 1.00 0.00 N ATOM 1328 CA TYR B 9 -24.216 2.151 -18.360 1.00 0.00 C ATOM 1329 C TYR B 9 -24.643 0.822 -19.023 1.00 0.00 C ATOM 1330 O TYR B 9 -24.074 -0.227 -18.645 1.00 0.00 O ATOM 1331 CB TYR B 9 -25.350 2.801 -17.551 1.00 0.00 C ATOM 1332 CG TYR B 9 -25.729 2.016 -16.308 1.00 0.00 C ATOM 1333 CD1 TYR B 9 -26.644 0.948 -16.387 1.00 0.00 C ATOM 1334 CD2 TYR B 9 -25.138 2.340 -15.071 1.00 0.00 C ATOM 1335 CE1 TYR B 9 -26.961 0.200 -15.235 1.00 0.00 C ATOM 1336 CE2 TYR B 9 -25.457 1.601 -13.916 1.00 0.00 C ATOM 1337 CZ TYR B 9 -26.369 0.526 -13.995 1.00 0.00 C ATOM 1338 OH TYR B 9 -26.652 -0.198 -12.879 1.00 0.00 O ATOM 1339 OXT TYR B 9 -25.518 0.836 -19.921 1.00 0.00 O ATOM 0 H TYR B 9 -24.193 3.986 -19.368 1.00 0.00 H new ATOM 0 HA TYR B 9 -23.421 1.888 -17.662 1.00 0.00 H new ATOM 0 HB2 TYR B 9 -25.048 3.807 -17.259 1.00 0.00 H new ATOM 0 HB3 TYR B 9 -26.228 2.905 -18.188 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -27.104 0.702 -17.333 1.00 0.00 H new ATOM 0 HD2 TYR B 9 -24.437 3.159 -15.008 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -27.657 -0.623 -15.301 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -25.004 1.856 -12.969 1.00 0.00 H new ATOM 0 HH TYR B 9 -26.155 0.167 -12.117 1.00 0.00 H new TER 1349 TYR B 9 HETATM 1350 ZN ZN A1001 -12.949 -11.437 -5.799 1.00 0.00 ZN